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 2xud_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 0.000 176.626 176.600 0.043 0.000 1.382 4 E CA 0.000 56.419 56.400 0.032 0.000 0.976 4 E CB 0.000 29.719 29.700 0.031 0.000 0.812 5 D N 6.296 126.729 120.400 0.054 0.000 2.363 5 D HA 0.118 4.781 4.640 0.038 0.000 0.263 5 D C -1.397 174.952 176.300 0.082 0.000 1.258 5 D CA -1.820 52.228 54.000 0.080 0.000 0.907 5 D CB 1.324 42.189 40.800 0.109 0.000 1.107 5 D HN 0.274 nan 8.370 nan 0.000 0.495 6 P HA -0.111 nan 4.420 nan 0.000 0.223 6 P C 0.972 178.305 177.300 0.054 0.000 1.151 6 P CA 0.609 63.737 63.100 0.046 0.000 0.787 6 P CB 0.489 32.202 31.700 0.020 0.000 0.788 7 Q N -0.580 119.252 119.800 0.054 0.000 2.488 7 Q HA 0.094 4.457 4.340 0.038 0.000 0.211 7 Q C 1.642 177.757 176.000 0.190 0.000 0.967 7 Q CA 0.695 56.523 55.803 0.041 0.000 0.926 7 Q CB -0.092 28.544 28.738 -0.171 0.000 0.992 7 Q HN 0.422 nan 8.270 nan 0.000 0.506 8 L N -0.328 121.016 121.223 0.202 0.000 2.808 8 L HA 0.274 4.637 4.340 0.038 0.000 0.246 8 L C 0.110 177.174 176.870 0.323 0.000 1.153 8 L CA -0.068 54.919 54.840 0.245 0.000 0.956 8 L CB 0.525 42.641 42.059 0.096 0.000 1.270 8 L HN -0.049 nan 8.230 nan 0.000 0.528 9 L N 1.151 122.505 121.223 0.219 0.000 2.287 9 L HA 0.525 4.888 4.340 0.038 0.000 0.287 9 L C -0.789 176.114 176.870 0.055 0.000 1.022 9 L CA -0.472 54.460 54.840 0.153 0.000 0.814 9 L CB 1.942 44.053 42.059 0.086 0.000 1.217 9 L HN -0.193 nan 8.230 nan 0.000 0.420 10 V N 3.488 123.392 119.914 -0.016 0.000 2.735 10 V HA 0.469 4.612 4.120 0.038 0.000 0.310 10 V C -0.305 175.699 176.094 -0.150 0.000 1.061 10 V CA -0.828 61.319 62.300 -0.254 0.000 0.913 10 V CB 2.261 33.620 31.823 -0.774 0.000 1.005 10 V HN 0.711 nan 8.190 nan 0.000 0.428 11 R N 3.387 123.786 120.500 -0.168 0.000 2.239 11 R HA 0.679 5.042 4.340 0.038 0.000 0.332 11 R C -0.520 175.693 176.300 -0.146 0.000 0.988 11 R CA -0.353 55.685 56.100 -0.104 0.000 0.859 11 R CB 1.306 31.552 30.300 -0.090 0.000 1.148 11 R HN 0.734 nan 8.270 nan 0.000 0.482 12 V N 1.964 121.836 119.914 -0.070 0.000 3.369 12 V HA 0.395 4.538 4.120 0.038 0.000 0.309 12 V C 1.228 177.244 176.094 -0.130 0.000 1.069 12 V CA -0.674 61.581 62.300 -0.074 0.000 1.042 12 V CB 1.362 33.266 31.823 0.134 0.000 1.192 12 V HN 0.824 nan 8.190 nan 0.000 0.447 13 R N 0.952 121.362 120.500 -0.150 0.000 2.152 13 R HA -0.005 4.358 4.340 0.038 0.000 0.232 13 R C 2.019 178.179 176.300 -0.233 0.000 1.117 13 R CA 1.372 57.374 56.100 -0.164 0.000 0.981 13 R CB -0.635 29.584 30.300 -0.135 0.000 0.870 13 R HN 0.968 nan 8.270 nan 0.000 0.451 14 G N -0.181 108.434 108.800 -0.308 0.000 2.813 14 G HA2 0.283 4.266 3.960 0.038 0.000 0.209 14 G HA3 0.283 4.266 3.960 0.038 0.000 0.209 14 G C 0.484 174.447 174.900 -1.563 0.000 1.150 14 G CA 0.518 45.180 45.100 -0.729 0.000 0.785 14 G HN 0.559 nan 8.290 nan 0.000 0.535 15 G N -0.936 107.257 108.800 -1.012 0.000 2.270 15 G HA2 0.129 4.112 3.960 0.038 0.000 0.268 15 G HA3 0.129 4.112 3.960 0.038 0.000 0.268 15 G C -1.110 173.693 174.900 -0.162 0.000 1.312 15 G CA -0.423 44.194 45.100 -0.806 0.000 1.050 15 G HN 0.456 nan 8.290 nan 0.000 0.474 16 Q N -0.450 119.437 119.800 0.144 0.000 2.235 16 Q HA 0.782 5.145 4.340 0.038 0.000 0.250 16 Q C -0.490 175.805 176.000 0.492 0.000 0.909 16 Q CA -0.399 55.569 55.803 0.276 0.000 0.910 16 Q CB 1.179 30.021 28.738 0.173 0.000 1.223 16 Q HN 0.551 nan 8.270 nan 0.000 0.432 17 L N 2.828 124.242 121.223 0.319 0.000 2.370 17 L HA 0.647 5.010 4.340 0.038 0.000 0.266 17 L C -0.691 176.341 176.870 0.269 0.000 1.002 17 L CA -0.861 54.164 54.840 0.308 0.000 0.818 17 L CB 2.248 44.507 42.059 0.333 0.000 1.325 17 L HN 0.566 nan 8.230 nan 0.000 0.418 18 R N 0.999 121.649 120.500 0.250 0.000 2.451 18 R HA 0.620 4.983 4.340 0.038 0.000 0.307 18 R C -0.426 175.977 176.300 0.172 0.000 0.965 18 R CA -0.313 55.917 56.100 0.216 0.000 0.865 18 R CB 1.804 32.169 30.300 0.110 0.000 1.174 18 R HN 0.816 nan 8.270 nan 0.000 0.455 19 G N 3.290 112.149 108.800 0.098 0.000 2.606 19 G HA2 0.499 4.482 3.960 0.038 0.000 0.262 19 G HA3 0.499 4.482 3.960 0.038 0.000 0.262 19 G C -0.945 173.764 174.900 -0.318 0.000 1.394 19 G CA -0.639 44.241 45.100 -0.368 0.000 1.044 19 G HN 0.565 nan 8.290 nan 0.000 0.553 20 I N -1.022 119.297 120.570 -0.418 0.000 2.686 20 I HA 0.513 4.705 4.170 0.038 0.000 0.295 20 I C -0.320 175.645 176.117 -0.253 0.000 1.114 20 I CA -1.074 60.069 61.300 -0.262 0.000 1.038 20 I CB 2.216 40.078 38.000 -0.230 0.000 1.238 20 I HN 0.442 nan 8.210 nan 0.000 0.420 21 R N 7.322 127.702 120.500 -0.200 0.000 2.267 21 R HA 0.546 4.909 4.340 0.038 0.000 0.319 21 R C -1.550 174.629 176.300 -0.201 0.000 1.067 21 R CA -0.242 55.713 56.100 -0.242 0.000 0.936 21 R CB 0.541 30.636 30.300 -0.341 0.000 1.006 21 R HN 0.633 nan 8.270 nan 0.000 0.452 22 L N 3.405 124.527 121.223 -0.167 0.000 2.334 22 L HA 0.466 4.829 4.340 0.038 0.000 0.270 22 L C -0.099 176.693 176.870 -0.129 0.000 1.018 22 L CA -1.009 53.758 54.840 -0.121 0.000 0.811 22 L CB 1.787 43.809 42.059 -0.061 0.000 1.271 22 L HN 0.512 nan 8.230 nan 0.000 0.443 23 K N 1.323 121.656 120.400 -0.111 0.000 2.227 23 K HA 0.633 4.975 4.320 0.038 0.000 0.280 23 K C -0.853 175.674 176.600 -0.122 0.000 1.041 23 K CA -0.272 55.953 56.287 -0.103 0.000 0.905 23 K CB 1.306 33.761 32.500 -0.076 0.000 1.068 23 K HN 0.674 nan 8.250 nan 0.000 0.470 24 A N 5.195 127.945 122.820 -0.116 0.000 2.355 24 A HA 0.472 4.815 4.320 0.038 0.000 0.324 24 A C -1.887 175.677 177.584 -0.032 0.000 1.117 24 A CA -1.714 50.236 52.037 -0.143 0.000 0.785 24 A CB 0.828 19.721 19.000 -0.180 0.000 1.254 24 A HN 0.691 nan 8.150 nan 0.000 0.453 25 P HA -0.203 nan 4.420 nan 0.000 0.218 25 P C 1.319 178.645 177.300 0.044 0.000 1.147 25 P CA 2.248 65.389 63.100 0.068 0.000 0.827 25 P CB 0.110 31.889 31.700 0.131 0.000 0.778 26 G N -1.387 107.438 108.800 0.042 0.000 2.539 26 G HA2 0.379 4.362 3.960 0.038 0.000 0.215 26 G HA3 0.379 4.362 3.960 0.038 0.000 0.215 26 G C 0.697 175.610 174.900 0.021 0.000 1.141 26 G CA 0.725 45.846 45.100 0.034 0.000 0.806 26 G HN 0.679 nan 8.290 nan 0.000 0.533 27 G N -0.786 108.017 108.800 0.005 0.000 2.327 27 G HA2 0.408 4.391 3.960 0.038 0.000 0.291 27 G HA3 0.408 4.391 3.960 0.038 0.000 0.291 27 G C -3.279 171.603 174.900 -0.030 0.000 1.290 27 G CA -0.579 44.519 45.100 -0.003 0.000 0.857 27 G HN 0.037 nan 8.290 nan 0.000 0.520 28 P HA 0.438 nan 4.420 nan 0.000 0.269 28 P C 0.027 177.319 177.300 -0.013 0.000 1.215 28 P CA 0.073 63.091 63.100 -0.138 0.000 0.780 28 P CB 1.433 32.906 31.700 -0.379 0.000 0.898 29 V N -1.220 118.679 119.914 -0.026 0.000 3.040 29 V HA 0.631 4.774 4.120 0.038 0.000 0.312 29 V C -0.343 175.812 176.094 0.101 0.000 1.115 29 V CA -0.940 61.425 62.300 0.108 0.000 0.998 29 V CB 1.866 33.756 31.823 0.112 0.000 1.042 29 V HN 0.425 nan 8.190 nan 0.000 0.433 30 S N 1.758 117.584 115.700 0.210 0.000 2.499 30 S HA 0.848 5.340 4.470 0.038 0.000 0.279 30 S C 0.048 174.614 174.600 -0.058 0.000 1.219 30 S CA 0.040 58.287 58.200 0.079 0.000 1.062 30 S CB 1.165 64.519 63.200 0.256 0.000 0.978 30 S HN 1.555 nan 8.310 nan 0.000 0.489 31 A N 2.685 125.272 122.820 -0.389 0.000 2.371 31 A HA 0.829 5.171 4.320 0.038 0.000 0.311 31 A C -1.248 175.854 177.584 -0.803 0.000 1.068 31 A CA -0.670 51.057 52.037 -0.516 0.000 0.744 31 A CB 0.565 19.282 19.000 -0.472 0.000 1.239 31 A HN 0.682 nan 8.150 nan 0.000 0.435 32 F N 2.524 122.307 119.950 -0.278 0.000 2.532 32 F HA 0.481 5.031 4.527 0.038 0.000 0.365 32 F C -0.305 175.311 175.800 -0.306 0.000 1.112 32 F CA -0.328 57.580 58.000 -0.153 0.000 1.082 32 F CB 1.262 40.327 39.000 0.107 0.000 1.319 32 F HN 0.345 nan 8.300 nan 0.000 0.457 33 L N 1.933 123.006 121.223 -0.250 0.000 2.325 33 L HA 0.792 5.155 4.340 0.038 0.000 0.278 33 L C 0.893 177.663 176.870 -0.168 0.000 1.023 33 L CA -1.129 53.500 54.840 -0.351 0.000 0.811 33 L CB 1.678 43.300 42.059 -0.729 0.000 1.249 33 L HN 0.801 nan 8.230 nan 0.000 0.431 34 G N 2.775 111.539 108.800 -0.060 0.000 2.256 34 G HA2 -0.243 3.740 3.960 0.038 0.000 0.272 34 G HA3 -0.243 3.740 3.960 0.038 0.000 0.272 34 G C -0.180 174.774 174.900 0.090 0.000 1.076 34 G CA -0.380 44.714 45.100 -0.011 0.000 0.882 34 G HN 0.492 nan 8.290 nan 0.000 0.497 35 I N 1.998 122.623 120.570 0.092 0.000 2.379 35 I HA 0.219 4.412 4.170 0.038 0.000 0.290 35 I C -1.427 174.720 176.117 0.050 0.000 1.063 35 I CA -2.083 59.247 61.300 0.050 0.000 1.351 35 I CB 0.921 38.914 38.000 -0.011 0.000 1.410 35 I HN -0.012 nan 8.210 nan 0.000 0.505 36 P HA 0.001 nan 4.420 nan 0.000 0.271 36 P C -0.146 177.040 177.300 -0.191 0.000 1.226 36 P CA 0.055 62.961 63.100 -0.323 0.000 0.765 36 P CB 0.394 31.942 31.700 -0.253 0.000 0.835 37 F N 1.603 121.353 119.950 -0.334 0.000 2.682 37 F HA 0.714 5.264 4.527 0.038 0.000 0.308 37 F C 0.080 175.842 175.800 -0.062 0.000 1.093 37 F CA -0.835 57.018 58.000 -0.245 0.000 1.244 37 F CB 0.226 38.947 39.000 -0.465 0.000 1.052 37 F HN 0.330 nan 8.300 nan 0.000 0.573 38 A N 0.062 122.602 122.820 -0.467 0.000 2.594 38 A HA 0.544 4.887 4.320 0.038 0.000 0.295 38 A C -0.892 176.525 177.584 -0.278 0.000 1.071 38 A CA -0.821 51.038 52.037 -0.297 0.000 0.685 38 A CB 0.943 19.702 19.000 -0.401 0.000 1.285 38 A HN 0.062 nan 8.150 nan 0.000 0.405 39 E N 1.260 121.380 120.200 -0.132 0.000 2.414 39 E HA 0.207 4.580 4.350 0.038 0.000 0.263 39 E C -2.287 174.217 176.600 -0.161 0.000 1.000 39 E CA -1.197 55.138 56.400 -0.109 0.000 0.914 39 E CB -0.020 29.655 29.700 -0.041 0.000 0.948 39 E HN 0.240 nan 8.360 nan 0.000 0.444 40 P HA -0.012 nan 4.420 nan 0.000 0.260 40 P C -2.159 175.076 177.300 -0.110 0.000 1.185 40 P CA -0.635 62.382 63.100 -0.139 0.000 0.763 40 P CB -0.024 31.629 31.700 -0.079 0.000 0.776 41 P HA 0.001 nan 4.420 nan 0.000 0.228 41 P C -0.119 177.111 177.300 -0.116 0.000 1.748 41 P CA 0.084 63.123 63.100 -0.102 0.000 0.909 41 P CB -0.179 31.463 31.700 -0.098 0.000 1.882 42 V N -3.054 116.799 119.914 -0.101 0.000 3.109 42 V HA 0.835 4.978 4.120 0.038 0.000 0.317 42 V C 1.241 177.284 176.094 -0.086 0.000 1.074 42 V CA 0.265 62.501 62.300 -0.108 0.000 1.033 42 V CB 0.497 32.267 31.823 -0.089 0.000 1.111 42 V HN 0.503 nan 8.190 nan 0.000 0.458 43 G N 2.300 111.049 108.800 -0.086 0.000 2.686 43 G HA2 -0.400 3.583 3.960 0.038 0.000 0.329 43 G HA3 -0.400 3.583 3.960 0.038 0.000 0.329 43 G C 1.317 176.187 174.900 -0.050 0.000 1.187 43 G CA 1.965 47.030 45.100 -0.058 0.000 0.965 43 G HN 2.326 nan 8.290 nan 0.000 0.549 44 S N 0.521 116.205 115.700 -0.026 0.000 2.558 44 S HA 0.182 4.675 4.470 0.038 0.000 0.217 44 S C 1.941 176.538 174.600 -0.004 0.000 0.975 44 S CA 1.150 59.347 58.200 -0.004 0.000 0.912 44 S CB 0.070 63.275 63.200 0.008 0.000 0.776 44 S HN 0.660 nan 8.310 nan 0.000 0.526 45 R N 0.840 121.323 120.500 -0.030 0.000 2.310 45 R HA 0.253 4.616 4.340 0.038 0.000 0.202 45 R C 0.886 177.146 176.300 -0.066 0.000 0.933 45 R CA -0.228 55.855 56.100 -0.029 0.000 1.054 45 R CB -0.020 30.260 30.300 -0.034 0.000 0.985 45 R HN 0.368 nan 8.270 nan 0.000 0.489 46 R N 0.959 121.377 120.500 -0.138 0.000 2.538 46 R HA -0.142 4.221 4.340 0.038 0.000 0.282 46 R C -0.456 175.664 176.300 -0.301 0.000 1.009 46 R CA 0.612 56.506 56.100 -0.342 0.000 1.063 46 R CB 0.115 30.103 30.300 -0.520 0.000 0.945 46 R HN 0.134 nan 8.270 nan 0.000 0.414 47 F N -0.566 119.407 119.950 0.038 0.000 2.794 47 F HA -0.307 4.243 4.527 0.038 0.000 0.335 47 F C -0.011 175.786 175.800 -0.006 0.000 0.653 47 F CA 0.697 58.696 58.000 -0.002 0.000 1.266 47 F CB -1.886 37.103 39.000 -0.018 0.000 1.666 47 F HN 0.503 nan 8.300 nan 0.000 0.314 48 M N 0.182 119.845 119.600 0.105 0.000 2.598 48 M HA 0.477 4.980 4.480 0.038 0.000 0.317 48 M C -2.084 174.247 176.300 0.051 0.000 1.201 48 M CA -1.696 53.651 55.300 0.078 0.000 0.971 48 M CB 1.374 34.011 32.600 0.061 0.000 1.657 48 M HN -0.393 nan 8.290 nan 0.000 0.470 49 P HA 0.061 nan 4.420 nan 0.000 0.266 49 P C -2.496 174.836 177.300 0.053 0.000 1.193 49 P CA -0.488 62.648 63.100 0.060 0.000 0.770 49 P CB -0.441 31.302 31.700 0.073 0.000 0.836 50 P HA 0.196 nan 4.420 nan 0.000 0.275 50 P C -0.611 176.728 177.300 0.065 0.000 1.228 50 P CA 0.054 63.186 63.100 0.053 0.000 0.786 50 P CB 0.873 32.627 31.700 0.089 0.000 0.927 51 E N 3.065 123.289 120.200 0.041 0.000 2.214 51 E HA 0.403 4.776 4.350 0.038 0.000 0.274 51 E C -2.225 174.415 176.600 0.066 0.000 0.977 51 E CA -2.228 54.204 56.400 0.054 0.000 0.827 51 E CB 0.392 30.114 29.700 0.036 0.000 1.130 51 E HN 0.366 nan 8.360 nan 0.000 0.394 52 P HA -0.021 nan 4.420 nan 0.000 0.269 52 P C -0.891 176.473 177.300 0.107 0.000 1.209 52 P CA -0.291 62.891 63.100 0.135 0.000 0.776 52 P CB 0.446 32.234 31.700 0.145 0.000 0.876 53 K N 3.272 123.753 120.400 0.135 0.000 2.451 53 K HA 0.044 4.387 4.320 0.038 0.000 0.280 53 K C 0.081 176.783 176.600 0.170 0.000 1.020 53 K CA 0.240 56.606 56.287 0.133 0.000 1.008 53 K CB 0.168 32.773 32.500 0.175 0.000 0.917 53 K HN 0.268 nan 8.250 nan 0.000 0.478 54 R N 4.808 125.392 120.500 0.140 0.000 2.643 54 R HA 0.122 4.485 4.340 0.038 0.000 0.270 54 R C -1.987 174.415 176.300 0.170 0.000 1.061 54 R CA -1.527 54.647 56.100 0.123 0.000 1.107 54 R CB -0.078 30.280 30.300 0.096 0.000 0.999 54 R HN 0.580 nan 8.270 nan 0.000 0.460 55 P HA -0.114 nan 4.420 nan 0.000 0.266 55 P C -1.108 176.233 177.300 0.068 0.000 1.193 55 P CA 0.291 63.340 63.100 -0.085 0.000 0.770 55 P CB 0.287 31.911 31.700 -0.127 0.000 0.836 56 W N 1.179 122.511 121.300 0.054 0.000 2.762 56 W HA 0.723 5.406 4.660 0.038 0.000 0.355 56 W C -0.636 175.907 176.519 0.040 0.000 1.124 56 W CA -0.911 56.463 57.345 0.048 0.000 1.141 56 W CB 0.100 29.595 29.460 0.059 0.000 1.432 56 W HN 0.396 nan 8.180 nan 0.000 0.586 57 S N 0.773 116.649 115.700 0.294 0.000 2.664 57 S HA 0.857 5.349 4.470 0.038 0.000 0.304 57 S C 0.406 175.158 174.600 0.253 0.000 1.099 57 S CA -0.077 58.226 58.200 0.172 0.000 1.003 57 S CB 0.984 64.249 63.200 0.109 0.000 1.092 57 S HN 2.203 nan 8.310 nan 0.000 0.525 58 G N 0.081 108.978 108.800 0.162 0.000 2.569 58 G HA2 -0.155 3.828 3.960 0.038 0.000 0.259 58 G HA3 -0.155 3.828 3.960 0.038 0.000 0.259 58 G C -0.678 174.352 174.900 0.217 0.000 1.263 58 G CA -0.212 44.978 45.100 0.151 0.000 0.928 58 G HN 1.695 nan 8.290 nan 0.000 0.572 59 V N 0.635 120.653 119.914 0.173 0.000 2.384 59 V HA 0.556 4.699 4.120 0.038 0.000 0.287 59 V C 0.419 176.596 176.094 0.138 0.000 1.020 59 V CA -0.435 61.975 62.300 0.183 0.000 0.850 59 V CB 1.312 33.206 31.823 0.120 0.000 0.987 59 V HN 0.843 nan 8.190 nan 0.000 0.436 60 L N 4.475 125.785 121.223 0.145 0.000 2.313 60 L HA 0.375 4.738 4.340 0.038 0.000 0.282 60 L C 0.454 177.305 176.870 -0.031 0.000 1.092 60 L CA 0.375 55.166 54.840 -0.082 0.000 0.831 60 L CB 0.778 42.532 42.059 -0.509 0.000 1.159 60 L HN 0.657 nan 8.230 nan 0.000 0.442 61 D N 5.106 125.472 120.400 -0.057 0.000 2.348 61 D HA 0.141 4.804 4.640 0.038 0.000 0.259 61 D C -0.476 175.784 176.300 -0.066 0.000 1.296 61 D CA 0.115 54.089 54.000 -0.043 0.000 0.931 61 D CB 0.966 41.734 40.800 -0.054 0.000 1.067 61 D HN 0.673 nan 8.370 nan 0.000 0.503 62 A N 3.307 126.115 122.820 -0.021 0.000 3.232 62 A HA 0.255 4.598 4.320 0.038 0.000 0.312 62 A C 0.984 178.507 177.584 -0.102 0.000 1.185 62 A CA -0.522 51.498 52.037 -0.028 0.000 1.011 62 A CB -0.129 18.939 19.000 0.113 0.000 1.096 62 A HN 0.495 nan 8.150 nan 0.000 0.543 63 T N -3.309 111.155 114.554 -0.150 0.000 3.040 63 T HA 0.313 4.686 4.350 0.038 0.000 0.266 63 T C 0.357 174.906 174.700 -0.252 0.000 1.005 63 T CA 0.525 62.505 62.100 -0.201 0.000 0.906 63 T CB 0.003 68.782 68.868 -0.148 0.000 1.082 63 T HN 0.348 nan 8.240 nan 0.000 0.531 64 T N 1.043 115.441 114.554 -0.261 0.000 2.894 64 T HA 0.617 4.990 4.350 0.038 0.000 0.309 64 T C -0.977 173.556 174.700 -0.279 0.000 1.208 64 T CA -0.802 61.129 62.100 -0.282 0.000 1.016 64 T CB 1.103 69.880 68.868 -0.153 0.000 1.192 64 T HN 0.046 nan 8.240 nan 0.000 0.491 65 F N 2.137 122.026 119.950 -0.102 0.000 2.563 65 F HA 0.261 4.811 4.527 0.038 0.000 0.363 65 F C 1.402 177.109 175.800 -0.155 0.000 1.123 65 F CA -0.096 57.845 58.000 -0.098 0.000 1.307 65 F CB 0.415 39.385 39.000 -0.052 0.000 1.115 65 F HN 0.337 nan 8.300 nan 0.000 0.592 66 Q N 1.429 121.228 119.800 -0.001 0.000 2.162 66 Q HA 0.228 4.591 4.340 0.038 0.000 0.197 66 Q C -0.190 175.731 176.000 -0.132 0.000 1.013 66 Q CA -0.850 54.808 55.803 -0.242 0.000 1.040 66 Q CB 0.536 28.835 28.738 -0.733 0.000 1.114 66 Q HN 0.509 nan 8.270 nan 0.000 0.547 67 N N -0.015 118.579 118.700 -0.177 0.000 2.294 67 N HA -0.046 4.717 4.740 0.038 0.000 0.248 67 N C -0.459 175.031 175.510 -0.034 0.000 1.242 67 N CA 0.230 53.230 53.050 -0.084 0.000 0.848 67 N CB 0.262 38.712 38.487 -0.061 0.000 1.084 67 N HN 0.183 nan 8.380 nan 0.000 0.457 68 V N 2.065 121.942 119.914 -0.062 0.000 2.649 68 V HA 0.041 4.184 4.120 0.038 0.000 0.292 68 V C 0.631 176.690 176.094 -0.059 0.000 1.055 68 V CA -0.746 61.507 62.300 -0.078 0.000 1.023 68 V CB 0.951 32.691 31.823 -0.138 0.000 0.992 68 V HN 0.727 nan 8.190 nan 0.000 0.480 69 c N 4.638 123.219 118.600 -0.031 0.000 2.657 69 c HA 0.116 4.709 4.570 0.038 0.000 0.420 69 c C 0.441 174.524 174.090 -0.011 0.000 1.323 69 c CA -0.631 55.696 56.329 -0.004 0.000 1.894 69 c CB -0.953 41.580 42.510 0.039 0.000 2.681 69 c HN 0.749 nan 8.230 nan 0.000 0.613 70 Y N 3.843 124.064 120.300 -0.130 0.000 2.717 70 Y HA 0.252 4.825 4.550 0.038 0.000 0.330 70 Y C 0.764 176.749 175.900 0.141 0.000 1.217 70 Y CA 1.089 59.134 58.100 -0.092 0.000 1.506 70 Y CB 0.197 38.438 38.460 -0.366 0.000 1.268 70 Y HN 0.748 nan 8.280 nan 0.000 0.561 71 Q N 4.346 124.153 119.800 0.011 0.000 2.527 71 Q HA 0.191 4.554 4.340 0.038 0.000 0.280 71 Q C -1.795 174.340 176.000 0.225 0.000 0.977 71 Q CA -1.195 54.754 55.803 0.244 0.000 0.837 71 Q CB 1.119 29.957 28.738 0.167 0.000 1.454 71 Q HN 0.685 nan 8.270 nan 0.000 0.387 72 Y N 1.251 121.739 120.300 0.314 0.000 2.702 72 Y HA 0.279 4.852 4.550 0.038 0.000 0.336 72 Y C -0.987 175.062 175.900 0.249 0.000 1.235 72 Y CA 0.505 58.802 58.100 0.328 0.000 1.492 72 Y CB 0.800 39.576 38.460 0.527 0.000 1.308 72 Y HN 0.456 nan 8.280 nan 0.000 0.589 73 V N 6.748 126.339 119.914 -0.537 0.000 2.448 73 V HA 0.114 4.257 4.120 0.038 0.000 0.295 73 V C -0.515 175.194 176.094 -0.642 0.000 1.025 73 V CA -1.098 60.966 62.300 -0.393 0.000 0.859 73 V CB 1.474 33.153 31.823 -0.240 0.000 0.988 73 V HN 0.776 nan 8.190 nan 0.000 0.431 74 D N 3.726 123.992 120.400 -0.223 0.000 2.434 74 D HA 0.069 4.732 4.640 0.038 0.000 0.252 74 D C 0.890 177.172 176.300 -0.030 0.000 1.185 74 D CA 0.455 54.453 54.000 -0.004 0.000 0.886 74 D CB 1.416 42.371 40.800 0.259 0.000 1.148 74 D HN 0.763 nan 8.370 nan 0.000 0.483 75 T N 1.453 115.992 114.554 -0.026 0.000 3.339 75 T HA 0.079 4.452 4.350 0.038 0.000 0.292 75 T C 1.476 176.149 174.700 -0.046 0.000 1.012 75 T CA -0.519 61.566 62.100 -0.025 0.000 0.937 75 T CB -0.177 68.661 68.868 -0.051 0.000 1.164 75 T HN 0.228 nan 8.240 nan 0.000 0.509 76 L N 0.693 121.874 121.223 -0.069 0.000 2.017 76 L HA 0.266 4.629 4.340 0.038 0.000 0.208 76 L C -0.279 176.280 176.870 -0.518 0.000 1.073 76 L CA 1.550 56.182 54.840 -0.347 0.000 0.745 76 L CB -0.203 41.537 42.059 -0.531 0.000 0.894 76 L HN 0.460 nan 8.230 nan 0.000 0.432 77 Y N -0.105 120.207 120.300 0.020 0.000 2.749 77 Y HA 0.409 4.982 4.550 0.038 0.000 0.343 77 Y C -2.207 173.725 175.900 0.053 0.000 1.015 77 Y CA -3.497 54.610 58.100 0.010 0.000 1.270 77 Y CB -0.080 38.371 38.460 -0.015 0.000 1.097 77 Y HN 0.055 nan 8.280 nan 0.000 0.571 78 P HA 0.140 nan 4.420 nan 0.000 0.262 78 P C 0.974 178.325 177.300 0.084 0.000 1.199 78 P CA 1.025 64.171 63.100 0.078 0.000 0.763 78 P CB 0.695 32.415 31.700 0.032 0.000 0.790 79 G N 2.379 111.216 108.800 0.061 0.000 2.143 79 G HA2 -0.279 3.704 3.960 0.038 0.000 0.249 79 G HA3 -0.279 3.704 3.960 0.038 0.000 0.249 79 G C -0.210 174.724 174.900 0.058 0.000 0.981 79 G CA -0.382 44.736 45.100 0.031 0.000 0.665 79 G HN 0.547 nan 8.290 nan 0.000 0.528 80 F N 1.412 121.311 119.950 -0.084 0.000 2.411 80 F HA 0.686 5.236 4.527 0.038 0.000 0.350 80 F C 1.217 176.900 175.800 -0.195 0.000 1.114 80 F CA -1.044 56.854 58.000 -0.170 0.000 1.135 80 F CB 1.151 40.015 39.000 -0.226 0.000 1.120 80 F HN 0.040 nan 8.300 nan 0.000 0.495 81 E N 3.410 123.146 120.200 -0.773 0.000 2.097 81 E HA -0.102 4.270 4.350 0.038 0.000 0.196 81 E C 2.303 178.358 176.600 -0.909 0.000 1.000 81 E CA 1.873 57.843 56.400 -0.716 0.000 0.804 81 E CB -0.414 28.952 29.700 -0.556 0.000 0.740 81 E HN 0.962 nan 8.360 nan 0.000 0.454 82 G N -0.313 107.383 108.800 -1.841 0.000 2.485 82 G HA2 -0.308 3.675 3.960 0.038 0.000 0.221 82 G HA3 -0.308 3.675 3.960 0.038 0.000 0.221 82 G C 1.659 176.473 174.900 -0.143 0.000 1.115 82 G CA 1.754 46.081 45.100 -1.288 0.000 0.751 82 G HN 0.471 nan 8.290 nan 0.000 0.567 83 T N -3.085 111.373 114.554 -0.159 0.000 2.999 83 T HA 0.185 4.558 4.350 0.038 0.000 0.247 83 T C 1.847 176.636 174.700 0.149 0.000 1.012 83 T CA 0.515 62.812 62.100 0.329 0.000 1.048 83 T CB 0.186 69.330 68.868 0.460 0.000 1.020 83 T HN 0.064 nan 8.240 nan 0.000 0.478 84 E N 2.342 122.504 120.200 -0.063 0.000 2.150 84 E HA -0.056 4.317 4.350 0.038 0.000 0.193 84 E C 2.206 178.689 176.600 -0.195 0.000 0.985 84 E CA 1.308 57.647 56.400 -0.103 0.000 0.814 84 E CB -0.469 29.148 29.700 -0.138 0.000 0.752 84 E HN 0.811 nan 8.360 nan 0.000 0.466 85 M N -2.452 116.943 119.600 -0.342 0.000 2.460 85 M HA -0.042 4.461 4.480 0.038 0.000 0.263 85 M C 1.294 177.189 176.300 -0.676 0.000 1.071 85 M CA 1.300 56.264 55.300 -0.560 0.000 1.096 85 M CB -0.507 31.663 32.600 -0.716 0.000 1.408 85 M HN -0.014 nan 8.290 nan 0.000 0.463 86 W N 1.021 122.230 121.300 -0.151 0.000 3.114 86 W HA 0.273 4.956 4.660 0.038 0.000 0.279 86 W C 0.396 176.823 176.519 -0.153 0.000 1.277 86 W CA -0.894 56.353 57.345 -0.162 0.000 1.630 86 W CB -0.177 29.231 29.460 -0.087 0.000 1.087 86 W HN 0.112 nan 8.180 nan 0.000 0.637 87 N N 1.438 120.147 118.700 0.015 0.000 2.467 87 N HA 0.151 4.914 4.740 0.038 0.000 0.262 87 N C -2.456 172.985 175.510 -0.115 0.000 1.234 87 N CA -1.628 51.403 53.050 -0.033 0.000 0.952 87 N CB -0.084 38.381 38.487 -0.037 0.000 1.158 87 N HN -0.335 nan 8.380 nan 0.000 0.463 88 P HA 0.063 nan 4.420 nan 0.000 0.264 88 P C 0.244 177.449 177.300 -0.158 0.000 1.193 88 P CA 0.012 63.016 63.100 -0.160 0.000 0.763 88 P CB 0.305 31.909 31.700 -0.159 0.000 0.810 89 N N 2.536 121.128 118.700 -0.180 0.000 2.203 89 N HA 0.069 4.831 4.740 0.038 0.000 0.207 89 N C 0.229 175.663 175.510 -0.127 0.000 1.130 89 N CA 0.052 53.005 53.050 -0.160 0.000 0.861 89 N CB 0.386 38.757 38.487 -0.194 0.000 1.005 89 N HN 0.159 nan 8.380 nan 0.000 0.507 90 R N 0.072 120.497 120.500 -0.126 0.000 2.922 90 R HA 0.379 4.742 4.340 0.038 0.000 0.256 90 R C -0.618 175.623 176.300 -0.097 0.000 1.138 90 R CA -0.732 55.313 56.100 -0.091 0.000 0.995 90 R CB 0.360 30.617 30.300 -0.073 0.000 1.226 90 R HN 0.056 nan 8.270 nan 0.000 0.481 91 E N 0.832 120.984 120.200 -0.081 0.000 2.398 91 E HA 0.170 4.543 4.350 0.038 0.000 0.263 91 E C -0.404 176.141 176.600 -0.093 0.000 1.046 91 E CA 0.036 56.389 56.400 -0.079 0.000 0.908 91 E CB 0.455 30.121 29.700 -0.057 0.000 0.963 91 E HN 0.259 nan 8.360 nan 0.000 0.431 92 L N 2.408 123.560 121.223 -0.118 0.000 2.371 92 L HA 0.415 4.778 4.340 0.038 0.000 0.272 92 L C 0.286 177.158 176.870 0.003 0.000 1.124 92 L CA -0.222 54.517 54.840 -0.168 0.000 0.816 92 L CB 1.031 42.799 42.059 -0.486 0.000 1.129 92 L HN 0.373 nan 8.230 nan 0.000 0.448 93 S N 0.656 116.385 115.700 0.048 0.000 2.558 93 S HA 0.178 4.671 4.470 0.038 0.000 0.277 93 S C 0.189 174.783 174.600 -0.009 0.000 1.143 93 S CA -0.657 57.584 58.200 0.068 0.000 0.865 93 S CB 1.547 64.752 63.200 0.009 0.000 1.102 93 S HN 0.750 nan 8.310 nan 0.000 0.454 94 E N 0.965 121.092 120.200 -0.122 0.000 2.274 94 E HA -0.070 4.303 4.350 0.038 0.000 0.194 94 E C -0.290 176.238 176.600 -0.120 0.000 0.996 94 E CA 0.524 56.782 56.400 -0.236 0.000 0.840 94 E CB 0.064 29.547 29.700 -0.362 0.000 0.772 94 E HN 0.540 nan 8.360 nan 0.000 0.491 95 D N 0.471 120.840 120.400 -0.051 0.000 2.470 95 D HA -0.006 4.657 4.640 0.038 0.000 0.226 95 D C 0.049 176.435 176.300 0.144 0.000 1.196 95 D CA -0.293 53.720 54.000 0.021 0.000 0.979 95 D CB -0.082 40.740 40.800 0.037 0.000 1.059 95 D HN 0.137 nan 8.370 nan 0.000 0.515 96 c N 2.369 121.033 118.600 0.107 0.000 3.865 96 c HA 0.360 4.953 4.570 0.038 0.000 0.297 96 c C 0.654 174.825 174.090 0.135 0.000 1.758 96 c CA -0.685 55.770 56.329 0.211 0.000 1.778 96 c CB -1.258 41.306 42.510 0.090 0.000 3.158 96 c HN 0.444 nan 8.230 nan 0.000 0.598 97 L N 2.465 123.504 121.223 -0.306 0.000 2.391 97 L HA 0.362 4.725 4.340 0.038 0.000 0.249 97 L C -0.948 175.253 176.870 -1.115 0.000 1.308 97 L CA 0.498 54.905 54.840 -0.721 0.000 1.209 97 L CB -0.732 40.774 42.059 -0.921 0.000 1.401 97 L HN 0.417 nan 8.230 nan 0.000 0.416 98 Y N 1.416 121.634 120.300 -0.136 0.000 2.446 98 Y HA 0.581 5.154 4.550 0.038 0.000 0.345 98 Y C 0.029 176.106 175.900 0.294 0.000 0.984 98 Y CA -1.258 56.858 58.100 0.026 0.000 1.058 98 Y CB 1.950 40.403 38.460 -0.012 0.000 1.220 98 Y HN 0.180 nan 8.280 nan 0.000 0.455 99 L N 0.257 121.684 121.223 0.340 0.000 2.303 99 L HA 0.766 5.129 4.340 0.038 0.000 0.266 99 L C -1.100 175.797 176.870 0.046 0.000 1.011 99 L CA -1.156 53.774 54.840 0.150 0.000 0.818 99 L CB 1.562 43.539 42.059 -0.137 0.000 1.326 99 L HN 0.475 nan 8.230 nan 0.000 0.435 100 N N 0.219 118.944 118.700 0.042 0.000 2.238 100 N HA 0.714 5.477 4.740 0.038 0.000 0.302 100 N C -1.548 173.869 175.510 -0.155 0.000 1.072 100 N CA -0.434 52.547 53.050 -0.115 0.000 0.792 100 N CB 2.854 41.267 38.487 -0.125 0.000 1.425 100 N HN 0.507 nan 8.380 nan 0.000 0.478 101 V N 1.241 120.983 119.914 -0.287 0.000 2.577 101 V HA 0.487 4.630 4.120 0.038 0.000 0.303 101 V C -0.784 175.255 176.094 -0.092 0.000 1.042 101 V CA -0.817 61.412 62.300 -0.119 0.000 0.872 101 V CB 2.203 33.812 31.823 -0.357 0.000 0.998 101 V HN 0.559 nan 8.190 nan 0.000 0.423 102 W N 2.623 124.033 121.300 0.184 0.000 2.606 102 W HA 0.721 5.404 4.660 0.039 0.000 0.332 102 W C 0.198 176.840 176.519 0.204 0.000 1.052 102 W CA -0.458 57.000 57.345 0.189 0.000 1.223 102 W CB 2.515 32.060 29.460 0.141 0.000 1.383 102 W HN 0.676 nan 8.180 nan 0.000 0.524 103 T N -0.478 114.344 114.554 0.447 0.000 2.865 103 T HA 0.546 4.919 4.350 0.038 0.000 0.294 103 T C -2.834 172.043 174.700 0.296 0.000 1.119 103 T CA -2.342 59.971 62.100 0.354 0.000 1.007 103 T CB 2.109 71.211 68.868 0.391 0.000 1.225 103 T HN -0.093 nan 8.240 nan 0.000 0.515 104 P HA 0.257 nan 4.420 nan 0.000 0.271 104 P C -1.589 175.857 177.300 0.243 0.000 1.233 104 P CA -0.183 63.036 63.100 0.198 0.000 0.789 104 P CB 0.104 31.889 31.700 0.141 0.000 0.951 105 Y N 1.745 122.098 120.300 0.088 0.000 2.326 105 Y HA 0.402 4.975 4.550 0.038 0.000 0.329 105 Y C -2.209 173.724 175.900 0.055 0.000 0.973 105 Y CA -2.357 55.787 58.100 0.073 0.000 1.162 105 Y CB 1.002 39.492 38.460 0.049 0.000 1.147 105 Y HN 0.323 nan 8.280 nan 0.000 0.456 106 P HA 0.214 nan 4.420 nan 0.000 0.273 106 P C -0.776 176.463 177.300 -0.101 0.000 1.250 106 P CA -0.386 62.472 63.100 -0.402 0.000 0.793 106 P CB 1.008 32.529 31.700 -0.299 0.000 1.011 107 R N 0.713 121.177 120.500 -0.058 0.000 2.623 107 R HA 0.147 4.510 4.340 0.038 0.000 0.271 107 R C -1.871 174.458 176.300 0.048 0.000 1.043 107 R CA -1.113 55.024 56.100 0.062 0.000 1.083 107 R CB -0.904 29.450 30.300 0.090 0.000 0.974 107 R HN 0.414 nan 8.270 nan 0.000 0.436 108 P HA -0.141 nan 4.420 nan 0.000 0.259 108 P C 0.005 177.326 177.300 0.035 0.000 1.163 108 P CA 0.534 63.670 63.100 0.061 0.000 0.760 108 P CB 0.543 32.291 31.700 0.080 0.000 0.762 109 A N 3.276 126.108 122.820 0.021 0.000 1.898 109 A HA -0.031 4.312 4.320 0.038 0.000 0.216 109 A C 0.936 178.526 177.584 0.010 0.000 1.181 109 A CA 1.565 53.607 52.037 0.009 0.000 0.620 109 A CB -0.627 18.375 19.000 0.004 0.000 0.819 109 A HN 0.614 nan 8.150 nan 0.000 0.442 110 S N -0.623 115.086 115.700 0.015 0.000 2.532 110 S HA 0.598 5.091 4.470 0.038 0.000 0.301 110 S C -3.089 171.523 174.600 0.020 0.000 1.083 110 S CA -1.963 56.244 58.200 0.012 0.000 1.025 110 S CB 1.203 64.407 63.200 0.007 0.000 1.056 110 S HN 0.053 nan 8.310 nan 0.000 0.494 111 P HA 0.033 nan 4.420 nan 0.000 0.255 111 P C -0.539 176.774 177.300 0.021 0.000 1.151 111 P CA 0.642 63.754 63.100 0.020 0.000 0.767 111 P CB -0.327 31.376 31.700 0.006 0.000 0.736 112 T N 5.932 120.509 114.554 0.040 0.000 2.823 112 T HA 0.403 4.776 4.350 0.038 0.000 0.279 112 T C -2.408 172.315 174.700 0.039 0.000 0.998 112 T CA -1.901 60.224 62.100 0.041 0.000 0.994 112 T CB 1.038 69.945 68.868 0.067 0.000 0.960 112 T HN 0.116 nan 8.240 nan 0.000 0.448 113 P HA 0.129 nan 4.420 nan 0.000 0.264 113 P C -0.903 176.428 177.300 0.052 0.000 1.183 113 P CA -0.161 62.947 63.100 0.012 0.000 0.763 113 P CB 0.387 32.077 31.700 -0.016 0.000 0.807 114 V N 5.131 125.091 119.914 0.076 0.000 2.435 114 V HA 0.331 4.474 4.120 0.038 0.000 0.290 114 V C 0.295 176.476 176.094 0.144 0.000 1.030 114 V CA -0.518 61.856 62.300 0.123 0.000 0.881 114 V CB 1.245 33.154 31.823 0.143 0.000 0.983 114 V HN 0.339 nan 8.190 nan 0.000 0.445 115 L N 5.643 126.970 121.223 0.173 0.000 2.307 115 L HA 0.595 4.958 4.340 0.038 0.000 0.284 115 L C -0.537 176.583 176.870 0.417 0.000 1.023 115 L CA -0.202 54.775 54.840 0.229 0.000 0.810 115 L CB 1.625 43.721 42.059 0.060 0.000 1.231 115 L HN 0.493 nan 8.230 nan 0.000 0.423 116 I N 2.865 123.721 120.570 0.475 0.000 2.362 116 I HA 0.207 4.399 4.170 0.038 0.000 0.289 116 I C -0.736 175.667 176.117 0.476 0.000 0.994 116 I CA -0.386 61.162 61.300 0.413 0.000 1.158 116 I CB 1.342 39.459 38.000 0.195 0.000 1.315 116 I HN 0.631 nan 8.210 nan 0.000 0.451 117 W N 8.657 130.060 121.300 0.171 0.000 2.338 117 W HA 0.542 5.224 4.660 0.038 0.000 0.307 117 W C -1.484 174.935 176.519 -0.166 0.000 1.167 117 W CA -0.637 56.574 57.345 -0.223 0.000 1.208 117 W CB 1.114 30.477 29.460 -0.162 0.000 1.228 117 W HN 0.354 nan 8.180 nan 0.000 0.499 118 I N 9.331 129.270 120.570 -1.052 0.000 2.359 118 I HA 0.071 4.264 4.170 0.038 0.000 0.284 118 I C -0.075 175.252 176.117 -1.316 0.000 1.018 118 I CA -1.110 59.636 61.300 -0.922 0.000 1.173 118 I CB 0.486 38.111 38.000 -0.624 0.000 1.326 118 I HN 0.305 nan 8.210 nan 0.000 0.462 119 Y N 4.631 124.465 120.300 -0.778 0.000 2.511 119 Y HA 0.597 5.169 4.550 0.038 0.000 0.347 119 Y C 0.811 176.552 175.900 -0.266 0.000 1.257 119 Y CA -0.731 57.058 58.100 -0.519 0.000 1.469 119 Y CB -0.121 38.314 38.460 -0.042 0.000 1.353 119 Y HN 0.521 nan 8.280 nan 0.000 0.617 120 G N -1.049 107.793 108.800 0.070 0.000 2.583 120 G HA2 0.495 4.478 3.960 0.038 0.000 0.280 120 G HA3 0.495 4.478 3.960 0.038 0.000 0.280 120 G C 0.312 175.200 174.900 -0.019 0.000 1.376 120 G CA -0.935 44.129 45.100 -0.061 0.000 1.043 120 G HN 1.721 nan 8.290 nan 0.000 0.538 121 G N -2.894 105.732 108.800 -0.291 0.000 2.215 121 G HA2 0.399 4.382 3.960 0.038 0.000 0.187 121 G HA3 0.399 4.382 3.960 0.038 0.000 0.187 121 G C 1.060 175.424 174.900 -0.893 0.000 1.039 121 G CA 0.750 45.553 45.100 -0.496 0.000 0.771 121 G HN 2.363 nan 8.290 nan 0.000 0.507 122 G N -0.576 107.725 108.800 -0.831 0.000 2.168 122 G HA2 -0.126 3.857 3.960 0.038 0.000 0.257 122 G HA3 -0.126 3.857 3.960 0.038 0.000 0.257 122 G C 0.916 175.509 174.900 -0.512 0.000 0.997 122 G CA 0.797 45.190 45.100 -1.178 0.000 0.708 122 G HN 1.741 nan 8.290 nan 0.000 0.520 123 F N -3.342 116.475 119.950 -0.222 0.000 2.825 123 F HA -0.321 4.229 4.527 0.038 0.000 0.358 123 F C 1.476 177.366 175.800 0.150 0.000 0.639 123 F CA 2.271 60.267 58.000 -0.007 0.000 1.153 123 F CB -2.030 36.831 39.000 -0.232 0.000 1.610 123 F HN 0.928 nan 8.300 nan 0.000 0.305 124 Y N -0.878 119.518 120.300 0.160 0.000 2.500 124 Y HA 0.667 5.240 4.550 0.038 0.000 0.246 124 Y C 0.585 176.617 175.900 0.220 0.000 1.146 124 Y CA 0.191 58.418 58.100 0.211 0.000 1.230 124 Y CB 0.004 38.558 38.460 0.157 0.000 1.214 124 Y HN 0.117 nan 8.280 nan 0.000 0.526 125 S N -1.017 114.523 115.700 -0.267 0.000 2.703 125 S HA 0.851 5.344 4.470 0.038 0.000 0.273 125 S C -0.227 174.261 174.600 -0.187 0.000 1.178 125 S CA -0.449 57.645 58.200 -0.178 0.000 0.838 125 S CB 1.351 64.427 63.200 -0.207 0.000 1.178 125 S HN 1.401 nan 8.310 nan 0.000 0.494 126 G N -0.595 108.053 108.800 -0.253 0.000 2.440 126 G HA2 0.550 4.533 3.960 0.038 0.000 0.684 126 G HA3 0.550 4.533 3.960 0.038 0.000 0.684 126 G C -0.662 173.649 174.900 -0.981 0.000 1.309 126 G CA -0.210 44.599 45.100 -0.485 0.000 0.931 126 G HN 2.202 nan 8.290 nan 0.000 0.612 127 A N -1.002 121.158 122.820 -1.100 0.000 2.604 127 A HA 1.016 5.358 4.320 0.038 0.000 0.295 127 A C 0.634 177.999 177.584 -0.364 0.000 1.067 127 A CA 0.516 52.070 52.037 -0.805 0.000 0.683 127 A CB 1.122 19.891 19.000 -0.385 0.000 1.281 127 A HN 2.575 nan 8.150 nan 0.000 0.407 128 A N 0.395 123.223 122.820 0.012 0.000 2.235 128 A HA 0.262 4.604 4.320 0.038 0.000 0.208 128 A C 1.639 179.278 177.584 0.092 0.000 1.172 128 A CA 1.682 53.935 52.037 0.360 0.000 0.786 128 A CB -0.541 18.748 19.000 0.480 0.000 0.804 128 A HN 1.777 nan 8.150 nan 0.000 0.479 129 S N -0.651 114.870 115.700 -0.298 0.000 2.556 129 S HA 0.339 4.832 4.470 0.038 0.000 0.216 129 S C 0.435 174.599 174.600 -0.727 0.000 0.970 129 S CA -0.482 57.123 58.200 -0.992 0.000 0.912 129 S CB -0.564 62.029 63.200 -1.011 0.000 0.790 129 S HN 0.360 nan 8.310 nan 0.000 0.504 130 L N 2.238 123.173 121.223 -0.479 0.000 2.461 130 L HA 0.191 4.554 4.340 0.038 0.000 0.272 130 L C 1.128 177.670 176.870 -0.547 0.000 1.197 130 L CA -0.529 53.971 54.840 -0.567 0.000 0.836 130 L CB 0.201 41.793 42.059 -0.778 0.000 1.105 130 L HN 0.054 nan 8.230 nan 0.000 0.477 131 D N 1.125 121.253 120.400 -0.455 0.000 2.133 131 D HA -0.161 4.502 4.640 0.038 0.000 0.195 131 D C 2.065 178.109 176.300 -0.426 0.000 0.997 131 D CA 1.481 55.282 54.000 -0.333 0.000 0.840 131 D CB -0.157 40.482 40.800 -0.267 0.000 0.947 131 D HN 0.547 nan 8.370 nan 0.000 0.452 132 V N -1.195 118.327 119.914 -0.654 0.000 2.688 132 V HA -0.211 3.932 4.120 0.038 0.000 0.256 132 V C 1.214 176.781 176.094 -0.878 0.000 1.084 132 V CA 1.232 63.103 62.300 -0.714 0.000 1.103 132 V CB -1.178 30.159 31.823 -0.811 0.000 0.688 132 V HN 0.097 nan 8.190 nan 0.000 0.480 133 Y N 0.287 120.054 120.300 -0.888 0.000 2.571 133 Y HA 0.462 5.035 4.550 0.038 0.000 0.275 133 Y C 0.788 176.136 175.900 -0.920 0.000 1.179 133 Y CA -1.920 55.310 58.100 -1.450 0.000 1.242 133 Y CB -1.017 36.908 38.460 -0.892 0.000 1.126 133 Y HN 0.263 nan 8.280 nan 0.000 0.524 134 D N 0.638 120.784 120.400 -0.423 0.000 2.412 134 D HA 0.062 4.725 4.640 0.038 0.000 0.257 134 D C 1.432 177.482 176.300 -0.416 0.000 1.217 134 D CA 0.480 54.321 54.000 -0.265 0.000 0.897 134 D CB 1.238 42.029 40.800 -0.015 0.000 1.132 134 D HN 0.454 nan 8.370 nan 0.000 0.493 135 G N 3.880 111.817 108.800 -1.440 0.000 2.920 135 G HA2 -0.165 3.818 3.960 0.038 0.000 0.208 135 G HA3 -0.165 3.818 3.960 0.038 0.000 0.208 135 G C 1.448 175.831 174.900 -0.861 0.000 1.159 135 G CA 0.289 44.624 45.100 -1.275 0.000 0.784 135 G HN 0.615 nan 8.290 nan 0.000 0.535 136 R N -0.650 119.334 120.500 -0.860 0.000 2.115 136 R HA 0.029 4.392 4.340 0.038 0.000 0.230 136 R C 1.722 177.769 176.300 -0.422 0.000 1.111 136 R CA 1.132 56.922 56.100 -0.517 0.000 0.976 136 R CB -0.651 29.348 30.300 -0.502 0.000 0.870 136 R HN 0.303 nan 8.270 nan 0.000 0.445 137 F N 1.529 121.400 119.950 -0.133 0.000 2.113 137 F HA 0.018 4.568 4.527 0.039 0.000 0.297 137 F C 2.304 178.055 175.800 -0.083 0.000 1.103 137 F CA 0.904 58.850 58.000 -0.091 0.000 1.248 137 F CB -0.531 38.407 39.000 -0.103 0.000 0.999 137 F HN -0.128 nan 8.300 nan 0.000 0.475 138 L N -0.144 121.118 121.223 0.065 0.000 2.046 138 L HA -0.222 4.141 4.340 0.038 0.000 0.208 138 L C 2.743 179.628 176.870 0.024 0.000 1.077 138 L CA 1.152 55.992 54.840 -0.000 0.000 0.747 138 L CB -0.950 41.063 42.059 -0.077 0.000 0.896 138 L HN 0.185 nan 8.230 nan 0.000 0.432 139 A N -0.963 121.876 122.820 0.033 0.000 1.883 139 A HA -0.268 4.075 4.320 0.038 0.000 0.217 139 A C 2.291 179.921 177.584 0.076 0.000 1.186 139 A CA 1.833 53.925 52.037 0.091 0.000 0.624 139 A CB -0.485 18.608 19.000 0.156 0.000 0.822 139 A HN 0.427 nan 8.150 nan 0.000 0.444 140 Q N -0.417 119.408 119.800 0.042 0.000 2.061 140 Q HA -0.035 4.328 4.340 0.038 0.000 0.195 140 Q C 2.227 178.257 176.000 0.050 0.000 0.967 140 Q CA 1.738 57.568 55.803 0.045 0.000 0.829 140 Q CB -0.203 28.541 28.738 0.010 0.000 0.900 140 Q HN 0.407 nan 8.270 nan 0.000 0.450 141 V N 1.562 121.507 119.914 0.052 0.000 2.379 141 V HA -0.141 4.002 4.120 0.038 0.000 0.245 141 V C 1.693 177.805 176.094 0.030 0.000 1.044 141 V CA 1.685 64.011 62.300 0.043 0.000 1.036 141 V CB -0.172 31.678 31.823 0.046 0.000 0.664 141 V HN 0.278 nan 8.190 nan 0.000 0.453 142 E N -0.421 119.795 120.200 0.028 0.000 2.481 142 E HA 0.208 4.581 4.350 0.038 0.000 0.198 142 E C 1.608 178.228 176.600 0.034 0.000 1.027 142 E CA 0.724 57.137 56.400 0.021 0.000 0.900 142 E CB 0.563 30.267 29.700 0.007 0.000 0.993 142 E HN 0.589 nan 8.360 nan 0.000 0.482 143 G N 1.976 110.806 108.800 0.050 0.000 2.198 143 G HA2 -0.304 3.679 3.960 0.038 0.000 0.260 143 G HA3 -0.304 3.679 3.960 0.038 0.000 0.260 143 G C 0.447 175.393 174.900 0.076 0.000 1.025 143 G CA 0.417 45.556 45.100 0.066 0.000 0.769 143 G HN 0.461 nan 8.290 nan 0.000 0.507 144 A N -0.845 122.020 122.820 0.076 0.000 2.340 144 A HA 0.731 5.074 4.320 0.038 0.000 0.268 144 A C 0.486 178.153 177.584 0.139 0.000 1.100 144 A CA -0.059 52.028 52.037 0.085 0.000 0.803 144 A CB 1.289 20.321 19.000 0.054 0.000 1.043 144 A HN 1.116 nan 8.150 nan 0.000 0.488 145 V N 2.948 122.950 119.914 0.147 0.000 2.364 145 V HA 0.311 4.453 4.120 0.038 0.000 0.272 145 V C -0.198 176.029 176.094 0.222 0.000 1.036 145 V CA -0.057 62.360 62.300 0.194 0.000 0.880 145 V CB 0.628 32.554 31.823 0.172 0.000 0.991 145 V HN 0.709 nan 8.190 nan 0.000 0.460 146 L N 6.505 127.917 121.223 0.314 0.000 2.322 146 L HA 0.718 5.081 4.340 0.038 0.000 0.281 146 L C -0.569 176.596 176.870 0.491 0.000 1.014 146 L CA -0.046 55.037 54.840 0.405 0.000 0.815 146 L CB 1.842 44.151 42.059 0.418 0.000 1.247 146 L HN 0.442 nan 8.230 nan 0.000 0.421 147 V N 3.021 123.200 119.914 0.443 0.000 2.604 147 V HA 0.755 4.898 4.120 0.038 0.000 0.305 147 V C -0.513 175.850 176.094 0.449 0.000 1.043 147 V CA -0.481 62.041 62.300 0.370 0.000 0.888 147 V CB 1.977 33.934 31.823 0.223 0.000 0.995 147 V HN 0.841 nan 8.190 nan 0.000 0.429 148 S N 5.032 120.998 115.700 0.444 0.000 2.541 148 S HA 0.874 5.367 4.470 0.038 0.000 0.280 148 S C -0.847 173.938 174.600 0.308 0.000 1.112 148 S CA -0.815 57.655 58.200 0.450 0.000 0.925 148 S CB 2.228 65.829 63.200 0.667 0.000 1.067 148 S HN 0.884 nan 8.310 nan 0.000 0.479 149 M N 1.532 121.279 119.600 0.245 0.000 2.535 149 M HA 0.630 5.133 4.480 0.038 0.000 0.314 149 M C -1.637 174.917 176.300 0.423 0.000 1.153 149 M CA -0.536 54.902 55.300 0.231 0.000 0.924 149 M CB 1.272 33.833 32.600 -0.065 0.000 1.710 149 M HN 0.551 nan 8.290 nan 0.000 0.451 150 N N 2.918 121.923 118.700 0.508 0.000 2.530 150 N HA 0.514 5.277 4.740 0.038 0.000 0.273 150 N C -1.347 174.475 175.510 0.520 0.000 1.173 150 N CA 0.198 53.568 53.050 0.533 0.000 0.967 150 N CB 0.454 39.164 38.487 0.371 0.000 1.109 150 N HN 0.728 nan 8.380 nan 0.000 0.453 151 Y N -1.814 118.690 120.300 0.340 0.000 2.553 151 Y HA 0.551 5.123 4.550 0.038 0.000 0.347 151 Y C -0.060 175.986 175.900 0.244 0.000 1.019 151 Y CA -1.343 56.894 58.100 0.228 0.000 1.032 151 Y CB 0.884 39.402 38.460 0.096 0.000 1.284 151 Y HN 0.205 nan 8.280 nan 0.000 0.466 152 R N 1.830 122.481 120.500 0.252 0.000 2.570 152 R HA 0.466 4.829 4.340 0.038 0.000 0.277 152 R C -0.258 176.194 176.300 0.252 0.000 1.039 152 R CA 0.012 56.210 56.100 0.163 0.000 1.065 152 R CB 0.777 31.129 30.300 0.087 0.000 0.964 152 R HN 0.729 nan 8.270 nan 0.000 0.428 153 V N -0.221 119.881 119.914 0.312 0.000 3.164 153 V HA 0.887 5.030 4.120 0.038 0.000 0.313 153 V C 0.686 177.085 176.094 0.509 0.000 1.188 153 V CA -0.120 62.487 62.300 0.512 0.000 1.058 153 V CB 1.171 33.207 31.823 0.354 0.000 1.110 153 V HN 0.963 nan 8.190 nan 0.000 0.453 154 G N 1.593 110.724 108.800 0.551 0.000 2.574 154 G HA2 -0.294 3.689 3.960 0.038 0.000 0.282 154 G HA3 -0.294 3.689 3.960 0.038 0.000 0.282 154 G C 1.055 176.032 174.900 0.129 0.000 1.257 154 G CA 1.526 46.845 45.100 0.366 0.000 0.956 154 G HN 2.449 nan 8.290 nan 0.000 0.560 155 T N -1.956 112.388 114.554 -0.350 0.000 2.759 155 T HA -0.097 4.276 4.350 0.038 0.000 0.269 155 T C 2.106 176.641 174.700 -0.274 0.000 1.042 155 T CA 2.604 64.268 62.100 -0.727 0.000 1.140 155 T CB -0.356 67.955 68.868 -0.928 0.000 0.864 155 T HN 0.558 nan 8.240 nan 0.000 0.455 156 F N 2.189 122.177 119.950 0.063 0.000 2.186 156 F HA 0.249 4.798 4.527 0.038 0.000 0.299 156 F C 2.810 178.599 175.800 -0.019 0.000 1.090 156 F CA 0.808 58.804 58.000 -0.007 0.000 1.307 156 F CB -1.020 37.957 39.000 -0.037 0.000 1.019 156 F HN 0.368 nan 8.300 nan 0.000 0.489 157 G N -2.219 106.651 108.800 0.117 0.000 2.662 157 G HA2 -0.013 3.970 3.960 0.038 0.000 0.212 157 G HA3 -0.013 3.970 3.960 0.038 0.000 0.212 157 G C 0.880 175.314 174.900 -0.777 0.000 1.141 157 G CA 0.317 45.216 45.100 -0.336 0.000 0.797 157 G HN 0.355 nan 8.290 nan 0.000 0.531 158 F N -0.982 119.058 119.950 0.151 0.000 2.974 158 F HA 0.398 4.948 4.527 0.039 0.000 0.357 158 F C 0.454 176.342 175.800 0.146 0.000 1.114 158 F CA -1.014 57.059 58.000 0.123 0.000 1.099 158 F CB 0.287 39.365 39.000 0.129 0.000 1.205 158 F HN -0.084 nan 8.300 nan 0.000 0.535 159 L N 2.330 123.637 121.223 0.139 0.000 2.534 159 L HA 0.501 4.864 4.340 0.038 0.000 0.271 159 L C 0.016 176.890 176.870 0.007 0.000 1.178 159 L CA 0.052 54.902 54.840 0.017 0.000 0.907 159 L CB 0.276 42.058 42.059 -0.462 0.000 1.164 159 L HN 0.128 nan 8.230 nan 0.000 0.482 160 A N 6.201 129.064 122.820 0.072 0.000 2.355 160 A HA 0.702 5.045 4.320 0.038 0.000 0.317 160 A C -0.977 176.598 177.584 -0.015 0.000 1.094 160 A CA -0.602 51.448 52.037 0.021 0.000 0.764 160 A CB 1.271 20.305 19.000 0.057 0.000 1.230 160 A HN 0.725 nan 8.150 nan 0.000 0.448 161 L N 3.598 124.796 121.223 -0.041 0.000 2.435 161 L HA 0.323 4.685 4.340 0.038 0.000 0.253 161 L C -2.415 174.447 176.870 -0.013 0.000 1.087 161 L CA -1.560 53.259 54.840 -0.034 0.000 0.950 161 L CB 1.465 43.489 42.059 -0.059 0.000 1.304 161 L HN 0.409 nan 8.230 nan 0.000 0.453 162 P HA 0.127 nan 4.420 nan 0.000 0.263 162 P C 0.953 178.256 177.300 0.004 0.000 1.195 162 P CA 0.717 63.821 63.100 0.006 0.000 0.762 162 P CB 0.964 32.667 31.700 0.005 0.000 0.799 163 G N 1.911 110.717 108.800 0.010 0.000 2.238 163 G HA2 -0.214 3.769 3.960 0.038 0.000 0.217 163 G HA3 -0.214 3.769 3.960 0.038 0.000 0.217 163 G C 0.322 175.228 174.900 0.010 0.000 0.996 163 G CA 0.168 45.273 45.100 0.009 0.000 0.632 163 G HN 0.796 nan 8.290 nan 0.000 0.503 164 S N 0.446 116.150 115.700 0.007 0.000 2.584 164 S HA 0.621 5.114 4.470 0.038 0.000 0.273 164 S C 1.319 175.930 174.600 0.018 0.000 1.311 164 S CA 0.462 58.666 58.200 0.007 0.000 1.034 164 S CB 2.089 65.287 63.200 -0.003 0.000 0.939 164 S HN 0.495 nan 8.310 nan 0.000 0.513 165 R N 1.281 121.793 120.500 0.020 0.000 2.075 165 R HA -0.089 4.274 4.340 0.038 0.000 0.232 165 R C 1.443 177.765 176.300 0.037 0.000 1.126 165 R CA 1.799 57.916 56.100 0.028 0.000 0.963 165 R CB -0.248 30.067 30.300 0.026 0.000 0.858 165 R HN 0.941 nan 8.270 nan 0.000 0.435 166 E N -0.903 119.319 120.200 0.037 0.000 2.472 166 E HA 0.075 4.448 4.350 0.038 0.000 0.196 166 E C -0.237 176.408 176.600 0.075 0.000 1.033 166 E CA 0.353 56.787 56.400 0.058 0.000 0.886 166 E CB 0.885 30.619 29.700 0.058 0.000 0.944 166 E HN 0.249 nan 8.360 nan 0.000 0.492 167 A N 2.598 125.439 122.820 0.034 0.000 3.409 167 A HA 0.340 4.683 4.320 0.038 0.000 0.282 167 A C -2.122 175.469 177.584 0.013 0.000 1.064 167 A CA -0.925 51.122 52.037 0.016 0.000 0.889 167 A CB 0.800 19.728 19.000 -0.120 0.000 1.251 167 A HN -0.066 nan 8.150 nan 0.000 0.538 168 P HA 0.145 nan 4.420 nan 0.000 0.229 168 P C 0.911 178.236 177.300 0.041 0.000 1.160 168 P CA 1.767 64.889 63.100 0.038 0.000 0.777 168 P CB 0.166 31.897 31.700 0.051 0.000 0.814 169 G N 0.747 109.572 108.800 0.041 0.000 2.707 169 G HA2 -0.176 3.807 3.960 0.038 0.000 0.686 169 G HA3 -0.176 3.807 3.960 0.038 0.000 0.686 169 G C -0.124 174.791 174.900 0.025 0.000 1.315 169 G CA -0.311 44.819 45.100 0.049 0.000 0.832 169 G HN 0.134 nan 8.290 nan 0.000 0.573 170 N N -2.346 116.373 118.700 0.032 0.000 2.753 170 N HA -0.285 4.478 4.740 0.038 0.000 0.251 170 N C 1.876 177.266 175.510 -0.201 0.000 1.097 170 N CA 2.354 55.364 53.050 -0.065 0.000 0.786 170 N CB -1.666 36.717 38.487 -0.174 0.000 1.137 170 N HN 1.917 nan 8.380 nan 0.000 0.566 171 V N -2.554 117.233 119.914 -0.211 0.000 2.515 171 V HA -0.005 4.138 4.120 0.038 0.000 0.250 171 V C 2.356 178.324 176.094 -0.211 0.000 1.058 171 V CA 2.272 64.484 62.300 -0.147 0.000 1.064 171 V CB -0.946 30.843 31.823 -0.055 0.000 0.675 171 V HN 0.266 nan 8.190 nan 0.000 0.461 172 G N 0.627 109.102 108.800 -0.541 0.000 2.442 172 G HA2 -0.194 3.789 3.960 0.038 0.000 0.219 172 G HA3 -0.194 3.789 3.960 0.038 0.000 0.219 172 G C 1.546 176.412 174.900 -0.058 0.000 1.141 172 G CA 1.375 46.277 45.100 -0.329 0.000 0.763 172 G HN 0.559 nan 8.290 nan 0.000 0.554 173 L N -0.222 120.919 121.223 -0.137 0.000 2.109 173 L HA 0.105 4.467 4.340 0.038 0.000 0.207 173 L C 2.837 179.721 176.870 0.023 0.000 1.086 173 L CA 0.262 54.987 54.840 -0.192 0.000 0.760 173 L CB -0.345 41.255 42.059 -0.766 0.000 0.910 173 L HN 0.162 nan 8.230 nan 0.000 0.437 174 L N -0.319 120.924 121.223 0.033 0.000 2.079 174 L HA -0.238 4.125 4.340 0.038 0.000 0.210 174 L C 2.221 179.206 176.870 0.190 0.000 1.081 174 L CA 1.033 55.989 54.840 0.193 0.000 0.752 174 L CB -0.729 41.425 42.059 0.159 0.000 0.896 174 L HN 0.303 nan 8.230 nan 0.000 0.433 175 D N -0.027 120.474 120.400 0.167 0.000 2.104 175 D HA -0.214 4.449 4.640 0.038 0.000 0.194 175 D C 2.289 178.716 176.300 0.213 0.000 0.994 175 D CA 1.232 55.402 54.000 0.283 0.000 0.830 175 D CB -0.250 40.741 40.800 0.319 0.000 0.959 175 D HN 0.405 nan 8.370 nan 0.000 0.452 176 Q N 0.101 119.965 119.800 0.106 0.000 2.061 176 Q HA -0.134 4.229 4.340 0.038 0.000 0.204 176 Q C 2.311 178.279 176.000 -0.053 0.000 0.984 176 Q CA 1.136 56.922 55.803 -0.028 0.000 0.846 176 Q CB -0.074 28.651 28.738 -0.022 0.000 0.902 176 Q HN 0.182 nan 8.270 nan 0.000 0.421 177 R N 0.381 120.956 120.500 0.124 0.000 2.091 177 R HA -0.183 4.180 4.340 0.038 0.000 0.238 177 R C 2.219 178.564 176.300 0.075 0.000 1.136 177 R CA 1.136 57.303 56.100 0.112 0.000 0.959 177 R CB -0.270 30.210 30.300 0.299 0.000 0.856 177 R HN 0.213 nan 8.270 nan 0.000 0.437 178 L N 0.499 121.797 121.223 0.124 0.000 2.046 178 L HA -0.072 4.291 4.340 0.038 0.000 0.208 178 L C 2.194 179.095 176.870 0.052 0.000 1.077 178 L CA 2.160 57.098 54.840 0.165 0.000 0.747 178 L CB -0.703 41.537 42.059 0.303 0.000 0.896 178 L HN 0.237 nan 8.230 nan 0.000 0.432 179 A N -0.945 121.698 122.820 -0.296 0.000 1.933 179 A HA -0.167 4.176 4.320 0.038 0.000 0.218 179 A C 2.141 179.655 177.584 -0.116 0.000 1.175 179 A CA 1.840 53.534 52.037 -0.571 0.000 0.628 179 A CB -0.774 17.643 19.000 -0.972 0.000 0.814 179 A HN 0.429 nan 8.150 nan 0.000 0.444 180 L N -0.205 120.966 121.223 -0.085 0.000 2.017 180 L HA -0.205 4.158 4.340 0.038 0.000 0.208 180 L C 2.733 179.650 176.870 0.079 0.000 1.073 180 L CA 2.091 56.923 54.840 -0.013 0.000 0.745 180 L CB -0.867 41.136 42.059 -0.092 0.000 0.894 180 L HN 0.477 nan 8.230 nan 0.000 0.432 181 Q N -2.249 117.608 119.800 0.095 0.000 2.124 181 Q HA -0.280 4.083 4.340 0.038 0.000 0.202 181 Q C 2.133 178.223 176.000 0.150 0.000 0.977 181 Q CA 1.971 57.842 55.803 0.113 0.000 0.850 181 Q CB -0.470 28.338 28.738 0.118 0.000 0.901 181 Q HN 0.605 nan 8.270 nan 0.000 0.429 182 W N 0.765 122.078 121.300 0.020 0.000 2.358 182 W HA -0.220 4.463 4.660 0.038 0.000 0.303 182 W C 1.926 178.476 176.519 0.051 0.000 1.208 182 W CA 1.333 58.708 57.345 0.051 0.000 1.274 182 W CB -0.138 29.352 29.460 0.051 0.000 1.138 182 W HN -0.160 nan 8.180 nan 0.000 0.515 183 V N 0.997 121.128 119.914 0.361 0.000 2.287 183 V HA -0.382 3.761 4.120 0.038 0.000 0.248 183 V C 2.592 178.711 176.094 0.042 0.000 1.053 183 V CA 2.183 64.612 62.300 0.216 0.000 1.027 183 V CB -1.113 30.844 31.823 0.223 0.000 0.646 183 V HN 0.221 nan 8.190 nan 0.000 0.447 184 Q N -0.134 119.698 119.800 0.052 0.000 2.096 184 Q HA -0.272 4.091 4.340 0.038 0.000 0.208 184 Q C 2.205 178.176 176.000 -0.047 0.000 0.993 184 Q CA 2.040 57.856 55.803 0.022 0.000 0.862 184 Q CB -0.353 28.405 28.738 0.034 0.000 0.915 184 Q HN 0.724 nan 8.270 nan 0.000 0.416 185 E N -0.546 119.585 120.200 -0.115 0.000 2.216 185 E HA -0.029 4.344 4.350 0.038 0.000 0.192 185 E C 1.306 177.745 176.600 -0.269 0.000 0.988 185 E CA 0.383 56.678 56.400 -0.175 0.000 0.834 185 E CB 0.259 29.850 29.700 -0.182 0.000 0.772 185 E HN 0.343 nan 8.360 nan 0.000 0.479 186 N N -0.146 118.308 118.700 -0.410 0.000 2.360 186 N HA 0.011 4.773 4.740 0.038 0.000 0.211 186 N C 1.540 176.961 175.510 -0.148 0.000 1.147 186 N CA 0.042 52.807 53.050 -0.475 0.000 0.866 186 N CB 0.361 38.145 38.487 -1.172 0.000 1.206 186 N HN 0.021 nan 8.380 nan 0.000 0.478 187 I N 2.584 123.125 120.570 -0.049 0.000 2.423 187 I HA -0.129 4.064 4.170 0.038 0.000 0.254 187 I C 2.136 178.369 176.117 0.195 0.000 1.151 187 I CA 0.597 62.003 61.300 0.176 0.000 1.421 187 I CB -0.288 37.785 38.000 0.121 0.000 1.079 187 I HN 0.073 nan 8.210 nan 0.000 0.431 188 A N 0.158 123.017 122.820 0.066 0.000 2.024 188 A HA -0.136 4.207 4.320 0.038 0.000 0.220 188 A C 2.486 180.074 177.584 0.006 0.000 1.164 188 A CA 1.597 53.655 52.037 0.036 0.000 0.643 188 A CB -1.046 17.950 19.000 -0.007 0.000 0.806 188 A HN 0.469 nan 8.150 nan 0.000 0.451 189 A N -1.358 121.431 122.820 -0.052 0.000 2.019 189 A HA 0.039 4.382 4.320 0.038 0.000 0.219 189 A C 1.633 179.033 177.584 -0.307 0.000 1.164 189 A CA 1.275 53.182 52.037 -0.217 0.000 0.644 189 A CB -0.646 18.139 19.000 -0.358 0.000 0.805 189 A HN 0.507 nan 8.150 nan 0.000 0.449 190 F N -1.171 118.735 119.950 -0.074 0.000 2.765 190 F HA 0.358 4.909 4.527 0.038 0.000 0.302 190 F C 1.814 177.624 175.800 0.018 0.000 1.111 190 F CA 0.595 58.568 58.000 -0.045 0.000 1.359 190 F CB 0.159 39.140 39.000 -0.032 0.000 1.097 190 F HN 0.337 nan 8.300 nan 0.000 0.577 191 G N 0.331 109.223 108.800 0.153 0.000 2.141 191 G HA2 -0.173 3.810 3.960 0.038 0.000 0.242 191 G HA3 -0.173 3.810 3.960 0.038 0.000 0.242 191 G C 0.624 175.596 174.900 0.120 0.000 0.982 191 G CA -0.270 44.896 45.100 0.110 0.000 0.662 191 G HN 0.718 nan 8.290 nan 0.000 0.527 192 G N -0.649 108.241 108.800 0.149 0.000 2.507 192 G HA2 0.469 4.452 3.960 0.038 0.000 0.271 192 G HA3 0.469 4.452 3.960 0.038 0.000 0.271 192 G C -0.660 174.287 174.900 0.078 0.000 1.189 192 G CA 0.267 45.439 45.100 0.120 0.000 0.859 192 G HN 0.232 nan 8.290 nan 0.000 0.542 193 D N 0.858 121.294 120.400 0.059 0.000 2.454 193 D HA 0.306 4.968 4.640 0.038 0.000 0.225 193 D C -1.194 175.131 176.300 0.042 0.000 1.081 193 D CA -2.343 51.675 54.000 0.030 0.000 0.864 193 D CB 1.851 42.649 40.800 -0.003 0.000 1.040 193 D HN 0.035 nan 8.370 nan 0.000 0.517 194 P HA -0.088 nan 4.420 nan 0.000 0.228 194 P C 1.174 178.560 177.300 0.144 0.000 1.151 194 P CA 0.616 63.773 63.100 0.095 0.000 0.770 194 P CB 0.183 31.921 31.700 0.064 0.000 0.786 195 M N -1.157 118.468 119.600 0.041 0.000 2.563 195 M HA 0.072 4.574 4.480 0.038 0.000 0.231 195 M C 0.560 176.534 176.300 -0.545 0.000 1.136 195 M CA 0.490 55.749 55.300 -0.068 0.000 1.026 195 M CB 0.075 32.639 32.600 -0.061 0.000 1.597 195 M HN -0.190 nan 8.290 nan 0.000 0.495 196 S N 0.615 116.118 115.700 -0.329 0.000 2.356 196 S HA 0.409 4.902 4.470 0.038 0.000 0.171 196 S C -1.101 173.495 174.600 -0.007 0.000 1.399 196 S CA -0.583 57.411 58.200 -0.344 0.000 1.225 196 S CB 0.447 63.525 63.200 -0.205 0.000 1.271 196 S HN -0.027 nan 8.310 nan 0.000 0.427 197 V N 3.502 123.576 119.914 0.267 0.000 2.448 197 V HA 0.606 4.749 4.120 0.038 0.000 0.295 197 V C -0.010 176.286 176.094 0.336 0.000 1.025 197 V CA -0.447 62.040 62.300 0.312 0.000 0.859 197 V CB 2.022 34.052 31.823 0.346 0.000 0.988 197 V HN 0.702 nan 8.190 nan 0.000 0.431 198 T N 6.291 120.993 114.554 0.247 0.000 2.786 198 T HA 0.580 4.953 4.350 0.038 0.000 0.283 198 T C -0.251 174.617 174.700 0.280 0.000 0.992 198 T CA -0.357 61.901 62.100 0.263 0.000 0.954 198 T CB 0.858 69.829 68.868 0.171 0.000 0.934 198 T HN 0.350 nan 8.240 nan 0.000 0.440 199 L N 4.672 126.035 121.223 0.233 0.000 2.371 199 L HA 0.667 5.030 4.340 0.038 0.000 0.272 199 L C -0.336 176.761 176.870 0.378 0.000 1.124 199 L CA -0.694 54.241 54.840 0.158 0.000 0.816 199 L CB 0.241 42.177 42.059 -0.206 0.000 1.129 199 L HN 0.629 nan 8.230 nan 0.000 0.448 200 F N 0.139 120.149 119.950 0.101 0.000 2.631 200 F HA 0.942 5.492 4.527 0.038 0.000 0.308 200 F C -0.370 175.402 175.800 -0.047 0.000 1.097 200 F CA -1.460 56.638 58.000 0.163 0.000 0.952 200 F CB 1.521 40.757 39.000 0.393 0.000 1.307 200 F HN 0.489 nan 8.300 nan 0.000 0.450 201 G N 1.007 109.662 108.800 -0.242 0.000 2.601 201 G HA2 0.494 4.477 3.960 0.038 0.000 0.291 201 G HA3 0.494 4.477 3.960 0.038 0.000 0.291 201 G C -2.565 172.121 174.900 -0.357 0.000 1.456 201 G CA -0.785 43.784 45.100 -0.885 0.000 0.804 201 G HN 0.873 nan 8.290 nan 0.000 0.499 202 E N 0.412 120.366 120.200 -0.410 0.000 2.238 202 E HA 0.651 5.024 4.350 0.038 0.000 0.267 202 E C 0.621 177.180 176.600 -0.069 0.000 0.887 202 E CA 0.304 56.692 56.400 -0.020 0.000 0.769 202 E CB 2.122 31.957 29.700 0.224 0.000 1.187 202 E HN 0.906 nan 8.360 nan 0.000 0.416 203 S N 2.773 118.505 115.700 0.054 0.000 4.116 203 S HA -0.385 4.108 4.470 0.038 0.000 0.623 203 S C 1.465 176.174 174.600 0.182 0.000 1.933 203 S CA 2.056 60.366 58.200 0.183 0.000 4.224 203 S CB -1.651 61.623 63.200 0.124 0.000 0.208 203 S HN 1.007 nan 8.310 nan 0.000 0.527 204 A N 0.932 123.731 122.820 -0.035 0.000 2.024 204 A HA 0.113 4.456 4.320 0.038 0.000 0.220 204 A C 2.418 179.725 177.584 -0.461 0.000 1.164 204 A CA 2.519 54.322 52.037 -0.389 0.000 0.643 204 A CB -1.502 16.881 19.000 -1.029 0.000 0.806 204 A HN 1.615 nan 8.150 nan 0.000 0.451 205 G N -1.007 107.590 108.800 -0.339 0.000 2.448 205 G HA2 0.128 4.111 3.960 0.038 0.000 0.218 205 G HA3 0.128 4.111 3.960 0.038 0.000 0.218 205 G C 1.623 176.353 174.900 -0.283 0.000 1.135 205 G CA 1.106 45.964 45.100 -0.403 0.000 0.784 205 G HN 0.735 nan 8.290 nan 0.000 0.543 206 A N 1.225 123.958 122.820 -0.145 0.000 1.897 206 A HA 0.375 4.718 4.320 0.038 0.000 0.215 206 A C 2.780 180.352 177.584 -0.020 0.000 1.181 206 A CA 1.914 53.925 52.037 -0.045 0.000 0.620 206 A CB -0.691 18.338 19.000 0.049 0.000 0.821 206 A HN 0.653 nan 8.150 nan 0.000 0.443 207 A N -0.480 122.353 122.820 0.022 0.000 1.933 207 A HA -0.085 4.258 4.320 0.038 0.000 0.218 207 A C 2.434 180.034 177.584 0.027 0.000 1.175 207 A CA 2.081 54.129 52.037 0.017 0.000 0.628 207 A CB -0.851 18.184 19.000 0.059 0.000 0.814 207 A HN 0.432 nan 8.150 nan 0.000 0.444 208 S N -0.454 115.253 115.700 0.012 0.000 2.359 208 S HA -0.150 4.342 4.470 0.038 0.000 0.224 208 S C 1.936 176.488 174.600 -0.081 0.000 1.035 208 S CA 1.502 59.663 58.200 -0.064 0.000 1.018 208 S CB -0.537 62.560 63.200 -0.170 0.000 0.876 208 S HN 0.369 nan 8.310 nan 0.000 0.448 209 V N 1.633 121.515 119.914 -0.053 0.000 2.282 209 V HA -0.207 3.936 4.120 0.038 0.000 0.249 209 V C 2.612 178.711 176.094 0.008 0.000 1.057 209 V CA 2.040 64.324 62.300 -0.026 0.000 1.032 209 V CB -1.543 30.245 31.823 -0.057 0.000 0.645 209 V HN 0.603 nan 8.190 nan 0.000 0.447 210 G N -0.961 107.836 108.800 -0.004 0.000 2.422 210 G HA2 -0.263 3.720 3.960 0.038 0.000 0.218 210 G HA3 -0.263 3.720 3.960 0.038 0.000 0.218 210 G C 1.614 176.536 174.900 0.036 0.000 1.146 210 G CA 1.073 46.179 45.100 0.009 0.000 0.769 210 G HN 0.456 nan 8.290 nan 0.000 0.547 211 M N -0.114 119.480 119.600 -0.009 0.000 2.175 211 M HA 0.005 4.508 4.480 0.038 0.000 0.264 211 M C 2.315 178.675 176.300 0.100 0.000 1.063 211 M CA 0.894 56.212 55.300 0.031 0.000 1.119 211 M CB -0.308 32.278 32.600 -0.025 0.000 1.377 211 M HN 0.205 nan 8.290 nan 0.000 0.415 212 H N 0.053 119.241 119.070 0.196 0.000 2.421 212 H HA -0.044 4.535 4.556 0.038 0.000 0.298 212 H C 2.091 177.631 175.328 0.354 0.000 1.087 212 H CA 1.440 57.610 56.048 0.203 0.000 1.330 212 H CB -0.411 29.321 29.762 -0.050 0.000 1.388 212 H HN 0.437 nan 8.280 nan 0.000 0.526 213 I N 0.658 121.488 120.570 0.434 0.000 2.315 213 I HA -0.213 3.980 4.170 0.038 0.000 0.248 213 I C 1.665 177.973 176.117 0.319 0.000 1.117 213 I CA 1.003 62.570 61.300 0.445 0.000 1.404 213 I CB -0.070 38.114 38.000 0.308 0.000 1.071 213 I HN 0.088 nan 8.210 nan 0.000 0.419 214 L N -0.710 120.651 121.223 0.230 0.000 2.629 214 L HA 0.157 4.520 4.340 0.038 0.000 0.230 214 L C 0.695 177.614 176.870 0.081 0.000 1.151 214 L CA 0.015 54.963 54.840 0.180 0.000 0.924 214 L CB -0.038 42.108 42.059 0.146 0.000 1.137 214 L HN 0.012 nan 8.230 nan 0.000 0.457 215 S N -0.518 115.206 115.700 0.039 0.000 2.659 215 S HA 0.339 4.832 4.470 0.038 0.000 0.312 215 S C 0.573 175.107 174.600 -0.109 0.000 1.114 215 S CA -0.604 57.507 58.200 -0.148 0.000 1.063 215 S CB 1.596 64.483 63.200 -0.523 0.000 0.996 215 S HN 0.116 nan 8.310 nan 0.000 0.478 216 L N 6.636 127.790 121.223 -0.114 0.000 1.989 216 L HA 0.078 4.441 4.340 0.038 0.000 0.211 216 L C -0.917 175.909 176.870 -0.074 0.000 1.071 216 L CA 2.163 56.955 54.840 -0.080 0.000 0.749 216 L CB -0.939 41.074 42.059 -0.077 0.000 0.890 216 L HN 0.529 nan 8.230 nan 0.000 0.431 217 P HA -0.098 nan 4.420 nan 0.000 0.219 217 P C 1.710 179.007 177.300 -0.006 0.000 1.146 217 P CA 1.279 64.343 63.100 -0.059 0.000 0.808 217 P CB 0.038 31.693 31.700 -0.074 0.000 0.779 218 S N -0.770 114.946 115.700 0.027 0.000 2.406 218 S HA -0.062 4.431 4.470 0.038 0.000 0.228 218 S C 1.826 176.564 174.600 0.230 0.000 1.020 218 S CA 0.747 59.066 58.200 0.198 0.000 0.965 218 S CB -0.479 62.964 63.200 0.405 0.000 0.798 218 S HN 0.083 nan 8.310 nan 0.000 0.488 219 R N 1.891 122.437 120.500 0.077 0.000 2.293 219 R HA 0.022 4.384 4.340 0.038 0.000 0.219 219 R C 1.718 177.855 176.300 -0.273 0.000 1.091 219 R CA 0.934 56.938 56.100 -0.160 0.000 1.004 219 R CB -0.861 29.364 30.300 -0.126 0.000 0.865 219 R HN 0.541 nan 8.270 nan 0.000 0.469 220 S N -0.816 114.801 115.700 -0.137 0.000 2.582 220 S HA 0.200 4.693 4.470 0.038 0.000 0.234 220 S C 1.316 175.843 174.600 -0.121 0.000 0.961 220 S CA -0.320 57.789 58.200 -0.153 0.000 0.953 220 S CB 0.015 63.164 63.200 -0.085 0.000 0.800 220 S HN 0.159 nan 8.310 nan 0.000 0.471 221 L N 0.442 121.632 121.223 -0.056 0.000 2.858 221 L HA 0.535 4.898 4.340 0.038 0.000 0.251 221 L C -0.220 176.732 176.870 0.138 0.000 1.149 221 L CA -0.345 54.530 54.840 0.058 0.000 0.955 221 L CB 0.299 42.433 42.059 0.124 0.000 1.289 221 L HN 0.521 nan 8.230 nan 0.000 0.542 222 F N -4.106 115.709 119.950 -0.225 0.000 2.713 222 F HA 0.456 5.006 4.527 0.038 0.000 0.311 222 F C 0.243 175.830 175.800 -0.355 0.000 1.141 222 F CA -0.990 56.900 58.000 -0.184 0.000 0.939 222 F CB 0.795 39.786 39.000 -0.015 0.000 1.325 222 F HN -0.135 nan 8.300 nan 0.000 0.453 223 H N -0.362 118.717 119.070 0.015 0.000 2.927 223 H HA 0.451 5.029 4.556 0.038 0.000 0.255 223 H C -0.057 175.273 175.328 0.004 0.000 0.974 223 H CA -0.043 55.953 56.048 -0.086 0.000 1.199 223 H CB 1.080 30.817 29.762 -0.043 0.000 1.447 223 H HN 0.421 nan 8.280 nan 0.000 0.467 224 R N 0.129 120.826 120.500 0.329 0.000 2.764 224 R HA 0.704 5.067 4.340 0.038 0.000 0.270 224 R C -1.533 175.057 176.300 0.484 0.000 1.014 224 R CA -0.663 55.614 56.100 0.295 0.000 0.904 224 R CB 2.942 33.259 30.300 0.028 0.000 1.236 224 R HN 0.146 nan 8.270 nan 0.000 0.466 225 A N 1.059 124.175 122.820 0.493 0.000 2.520 225 A HA 0.644 4.987 4.320 0.038 0.000 0.298 225 A C -1.514 176.225 177.584 0.258 0.000 1.051 225 A CA -0.581 51.676 52.037 0.367 0.000 0.690 225 A CB 1.889 21.082 19.000 0.322 0.000 1.281 225 A HN 0.292 nan 8.150 nan 0.000 0.402 226 V N 2.171 122.200 119.914 0.193 0.000 2.444 226 V HA 0.502 4.645 4.120 0.038 0.000 0.294 226 V C -1.020 175.173 176.094 0.164 0.000 1.022 226 V CA -0.298 62.054 62.300 0.087 0.000 0.850 226 V CB 1.255 33.143 31.823 0.109 0.000 0.992 226 V HN 0.685 nan 8.190 nan 0.000 0.426 227 L N 5.216 126.505 121.223 0.110 0.000 2.301 227 L HA 0.500 4.863 4.340 0.038 0.000 0.278 227 L C 0.062 177.035 176.870 0.172 0.000 1.022 227 L CA 0.122 55.024 54.840 0.103 0.000 0.854 227 L CB 1.357 43.433 42.059 0.029 0.000 1.226 227 L HN 0.627 nan 8.230 nan 0.000 0.429 228 Q N 1.914 121.865 119.800 0.253 0.000 2.331 228 Q HA 0.395 4.757 4.340 0.038 0.000 0.257 228 Q C 0.309 176.439 176.000 0.217 0.000 0.957 228 Q CA -0.471 55.537 55.803 0.341 0.000 0.923 228 Q CB 1.252 30.280 28.738 0.483 0.000 1.212 228 Q HN 0.616 nan 8.270 nan 0.000 0.443 229 S N 1.097 116.910 115.700 0.188 0.000 3.614 229 S HA -0.180 4.312 4.470 0.038 0.000 0.360 229 S C 0.054 174.840 174.600 0.310 0.000 1.023 229 S CA 0.564 58.898 58.200 0.223 0.000 1.114 229 S CB -1.184 62.149 63.200 0.221 0.000 0.907 229 S HN 0.989 nan 8.310 nan 0.000 0.470 230 G N -0.669 108.273 108.800 0.237 0.000 2.489 230 G HA2 0.663 4.646 3.960 0.038 0.000 0.291 230 G HA3 0.663 4.646 3.960 0.038 0.000 0.291 230 G C -0.939 174.028 174.900 0.113 0.000 1.487 230 G CA 0.218 45.508 45.100 0.317 0.000 0.795 230 G HN 1.022 nan 8.290 nan 0.000 0.513 231 T N -1.882 112.674 114.554 0.002 0.000 2.853 231 T HA 0.729 5.102 4.350 0.038 0.000 0.311 231 T C -2.492 172.068 174.700 -0.235 0.000 1.307 231 T CA -1.126 60.908 62.100 -0.110 0.000 1.019 231 T CB 2.871 71.659 68.868 -0.133 0.000 1.264 231 T HN 0.321 nan 8.240 nan 0.000 0.497 232 P HA 0.029 nan 4.420 nan 0.000 0.227 232 P C 0.193 177.334 177.300 -0.265 0.000 1.161 232 P CA 0.494 63.468 63.100 -0.211 0.000 0.788 232 P CB -0.057 31.576 31.700 -0.112 0.000 0.822 233 N N 0.734 119.294 118.700 -0.233 0.000 2.379 233 N HA 0.328 5.091 4.740 0.038 0.000 0.260 233 N C 0.783 176.085 175.510 -0.346 0.000 1.254 233 N CA 0.502 53.414 53.050 -0.231 0.000 0.958 233 N CB 0.069 38.464 38.487 -0.152 0.000 1.208 233 N HN 0.187 nan 8.380 nan 0.000 0.532 234 G N -1.036 107.578 108.800 -0.311 0.000 2.525 234 G HA2 -0.102 3.881 3.960 0.038 0.000 0.685 234 G HA3 -0.102 3.881 3.960 0.038 0.000 0.685 234 G C -2.434 172.218 174.900 -0.414 0.000 1.290 234 G CA -0.265 44.599 45.100 -0.393 0.000 0.915 234 G HN 0.532 nan 8.290 nan 0.000 0.548 235 P HA 0.162 nan 4.420 nan 0.000 0.245 235 P C 1.388 178.612 177.300 -0.127 0.000 1.203 235 P CA 1.703 64.664 63.100 -0.232 0.000 0.792 235 P CB -0.031 31.528 31.700 -0.236 0.000 0.997 236 W N -1.854 119.338 121.300 -0.181 0.000 2.868 236 W HA 0.604 5.286 4.660 0.038 0.000 0.320 236 W C 0.804 177.372 176.519 0.081 0.000 1.076 236 W CA 0.384 57.687 57.345 -0.070 0.000 1.576 236 W CB -0.642 28.781 29.460 -0.061 0.000 1.030 236 W HN -0.175 nan 8.180 nan 0.000 0.558 237 A N 1.917 124.406 122.820 -0.552 0.000 2.081 237 A HA 0.158 4.501 4.320 0.038 0.000 0.214 237 A C 1.147 178.558 177.584 -0.288 0.000 1.158 237 A CA 1.750 53.501 52.037 -0.476 0.000 0.724 237 A CB -0.695 17.801 19.000 -0.840 0.000 0.826 237 A HN 0.202 nan 8.150 nan 0.000 0.463 238 T N -2.931 111.477 114.554 -0.243 0.000 2.901 238 T HA 0.636 5.008 4.350 0.038 0.000 0.293 238 T C -0.583 174.033 174.700 -0.139 0.000 1.084 238 T CA -0.117 61.859 62.100 -0.207 0.000 1.008 238 T CB 1.433 70.193 68.868 -0.181 0.000 1.170 238 T HN 0.870 nan 8.240 nan 0.000 0.509 239 V N -1.318 118.523 119.914 -0.121 0.000 3.102 239 V HA 0.907 5.050 4.120 0.038 0.000 0.312 239 V C 0.231 176.282 176.094 -0.072 0.000 1.135 239 V CA -0.911 61.335 62.300 -0.090 0.000 1.022 239 V CB 1.373 33.141 31.823 -0.093 0.000 1.056 239 V HN 1.356 nan 8.190 nan 0.000 0.436 240 S N 1.603 117.268 115.700 -0.059 0.000 2.614 240 S HA 0.613 5.106 4.470 0.038 0.000 0.265 240 S C 1.431 176.009 174.600 -0.036 0.000 1.303 240 S CA 0.081 58.254 58.200 -0.045 0.000 1.000 240 S CB 1.226 64.403 63.200 -0.040 0.000 0.935 240 S HN 1.968 nan 8.310 nan 0.000 0.551 241 A N 2.282 125.088 122.820 -0.025 0.000 1.892 241 A HA 0.026 4.369 4.320 0.038 0.000 0.218 241 A C 2.256 179.828 177.584 -0.020 0.000 1.188 241 A CA 2.072 54.099 52.037 -0.016 0.000 0.631 241 A CB -1.962 17.033 19.000 -0.009 0.000 0.822 241 A HN 1.226 nan 8.150 nan 0.000 0.447 242 G N -0.734 108.052 108.800 -0.023 0.000 2.440 242 G HA2 -0.261 3.722 3.960 0.038 0.000 0.218 242 G HA3 -0.261 3.722 3.960 0.038 0.000 0.218 242 G C 1.468 176.348 174.900 -0.033 0.000 1.154 242 G CA 1.444 46.529 45.100 -0.025 0.000 0.767 242 G HN 0.588 nan 8.290 nan 0.000 0.552 243 E N 0.831 121.006 120.200 -0.042 0.000 2.152 243 E HA 0.140 4.513 4.350 0.038 0.000 0.192 243 E C 2.585 179.142 176.600 -0.071 0.000 0.983 243 E CA 1.233 57.598 56.400 -0.058 0.000 0.818 243 E CB -0.432 29.229 29.700 -0.065 0.000 0.758 243 E HN 0.289 nan 8.360 nan 0.000 0.467 244 A N 0.723 123.510 122.820 -0.054 0.000 1.897 244 A HA -0.102 4.241 4.320 0.038 0.000 0.215 244 A C 2.256 179.832 177.584 -0.014 0.000 1.181 244 A CA 1.466 53.480 52.037 -0.038 0.000 0.620 244 A CB -0.527 18.472 19.000 -0.001 0.000 0.821 244 A HN 0.254 nan 8.150 nan 0.000 0.443 245 R N -0.517 119.973 120.500 -0.016 0.000 2.096 245 R HA -0.099 4.264 4.340 0.038 0.000 0.235 245 R C 2.378 178.668 176.300 -0.017 0.000 1.127 245 R CA 1.470 57.562 56.100 -0.014 0.000 0.968 245 R CB -0.291 29.999 30.300 -0.016 0.000 0.861 245 R HN 0.483 nan 8.270 nan 0.000 0.440 246 R N 0.356 120.839 120.500 -0.029 0.000 2.066 246 R HA -0.084 4.279 4.340 0.038 0.000 0.232 246 R C 2.220 178.501 176.300 -0.032 0.000 1.131 246 R CA 1.632 57.713 56.100 -0.031 0.000 0.955 246 R CB -0.038 30.238 30.300 -0.040 0.000 0.851 246 R HN 0.275 nan 8.270 nan 0.000 0.432 247 R N -0.393 120.071 120.500 -0.060 0.000 2.090 247 R HA -0.020 4.343 4.340 0.038 0.000 0.228 247 R C 2.281 178.620 176.300 0.066 0.000 1.110 247 R CA 1.157 57.204 56.100 -0.089 0.000 0.973 247 R CB -0.225 29.875 30.300 -0.332 0.000 0.869 247 R HN 0.200 nan 8.270 nan 0.000 0.440 248 A N 0.649 123.536 122.820 0.110 0.000 1.898 248 A HA -0.121 4.222 4.320 0.038 0.000 0.216 248 A C 2.145 179.746 177.584 0.028 0.000 1.181 248 A CA 1.757 53.868 52.037 0.123 0.000 0.620 248 A CB -0.769 18.250 19.000 0.032 0.000 0.819 248 A HN 0.238 nan 8.150 nan 0.000 0.442 249 T N 0.092 114.650 114.554 0.005 0.000 2.788 249 T HA -0.134 4.239 4.350 0.038 0.000 0.268 249 T C 1.779 176.479 174.700 0.001 0.000 1.044 249 T CA 1.544 63.639 62.100 -0.009 0.000 1.139 249 T CB -0.282 68.579 68.868 -0.013 0.000 0.867 249 T HN 0.283 nan 8.240 nan 0.000 0.454 250 L N 0.667 121.900 121.223 0.017 0.000 2.095 250 L HA 0.230 4.592 4.340 0.038 0.000 0.204 250 L C 2.123 179.014 176.870 0.035 0.000 1.080 250 L CA 1.238 56.092 54.840 0.022 0.000 0.759 250 L CB -0.801 41.273 42.059 0.024 0.000 0.914 250 L HN 0.152 nan 8.230 nan 0.000 0.439 251 L N -0.227 121.041 121.223 0.075 0.000 2.042 251 L HA -0.135 4.228 4.340 0.038 0.000 0.210 251 L C 2.483 179.347 176.870 -0.010 0.000 1.076 251 L CA 1.997 56.880 54.840 0.071 0.000 0.749 251 L CB -0.788 41.354 42.059 0.139 0.000 0.893 251 L HN 0.290 nan 8.230 nan 0.000 0.432 252 A N -0.654 122.154 122.820 -0.021 0.000 1.877 252 A HA -0.244 4.099 4.320 0.038 0.000 0.216 252 A C 2.499 180.058 177.584 -0.042 0.000 1.186 252 A CA 1.783 53.796 52.037 -0.040 0.000 0.620 252 A CB -0.645 18.328 19.000 -0.045 0.000 0.822 252 A HN 0.458 nan 8.150 nan 0.000 0.443 253 R N -0.604 119.876 120.500 -0.034 0.000 2.091 253 R HA -0.086 4.277 4.340 0.038 0.000 0.238 253 R C 1.911 178.172 176.300 -0.065 0.000 1.136 253 R CA 1.557 57.636 56.100 -0.035 0.000 0.959 253 R CB -0.412 29.877 30.300 -0.019 0.000 0.856 253 R HN 0.555 nan 8.270 nan 0.000 0.437 254 L N 0.347 121.510 121.223 -0.099 0.000 2.362 254 L HA -0.085 4.277 4.340 0.038 0.000 0.219 254 L C 1.750 178.400 176.870 -0.366 0.000 1.134 254 L CA 0.569 55.270 54.840 -0.232 0.000 0.807 254 L CB 0.112 42.014 42.059 -0.261 0.000 0.927 254 L HN 0.183 nan 8.230 nan 0.000 0.447 255 V N -4.633 115.156 119.914 -0.209 0.000 3.427 255 V HA 0.536 4.679 4.120 0.038 0.000 0.305 255 V C 1.096 177.158 176.094 -0.054 0.000 1.412 255 V CA 0.230 62.450 62.300 -0.133 0.000 1.086 255 V CB -0.004 31.779 31.823 -0.067 0.000 0.964 255 V HN 0.366 nan 8.190 nan 0.000 0.439 256 G N -0.205 108.565 108.800 -0.051 0.000 2.132 256 G HA2 -0.217 3.766 3.960 0.038 0.000 0.228 256 G HA3 -0.217 3.766 3.960 0.038 0.000 0.228 256 G C -0.014 174.877 174.900 -0.014 0.000 1.000 256 G CA -0.063 45.023 45.100 -0.023 0.000 0.693 256 G HN 0.695 nan 8.290 nan 0.000 0.515 257 c N 1.736 120.325 118.600 -0.019 0.000 2.303 257 c HA 0.767 5.359 4.570 0.038 0.000 0.326 257 c C -1.197 172.884 174.090 -0.016 0.000 1.285 257 c CA -1.189 55.132 56.329 -0.013 0.000 1.675 257 c CB 1.364 43.866 42.510 -0.013 0.000 2.289 257 c HN 0.480 nan 8.230 nan 0.000 0.512 266 D N 0.170 120.564 120.400 -0.011 0.000 2.104 266 D HA -0.124 4.539 4.640 0.038 0.000 0.194 266 D C 1.159 177.450 176.300 -0.014 0.000 0.994 266 D CA 2.130 56.119 54.000 -0.017 0.000 0.830 266 D CB -0.407 40.383 40.800 -0.016 0.000 0.959 266 D HN 0.703 nan 8.370 nan 0.000 0.452 267 T N 1.294 115.846 114.554 -0.003 0.000 2.684 267 T HA -0.141 4.232 4.350 0.038 0.000 0.267 267 T C 1.642 176.346 174.700 0.007 0.000 1.036 267 T CA 1.089 63.192 62.100 0.006 0.000 1.148 267 T CB -0.072 68.802 68.868 0.010 0.000 0.863 267 T HN 0.158 nan 8.240 nan 0.000 0.436 268 E N 0.673 120.875 120.200 0.003 0.000 2.150 268 E HA -0.002 4.371 4.350 0.038 0.000 0.193 268 E C 2.203 178.804 176.600 0.002 0.000 0.985 268 E CA 0.490 56.892 56.400 0.005 0.000 0.814 268 E CB -0.357 29.345 29.700 0.003 0.000 0.752 268 E HN 0.429 nan 8.360 nan 0.000 0.466 269 L N 0.339 121.556 121.223 -0.010 0.000 2.072 269 L HA -0.076 4.287 4.340 0.038 0.000 0.205 269 L C 2.216 179.070 176.870 -0.027 0.000 1.079 269 L CA 0.784 55.611 54.840 -0.022 0.000 0.752 269 L CB -0.021 42.016 42.059 -0.036 0.000 0.906 269 L HN 0.013 nan 8.230 nan 0.000 0.436 270 I N -0.316 120.238 120.570 -0.026 0.000 2.286 270 I HA -0.192 4.001 4.170 0.038 0.000 0.245 270 I C 2.732 178.894 176.117 0.074 0.000 1.104 270 I CA 0.951 62.245 61.300 -0.010 0.000 1.397 270 I CB -0.584 37.408 38.000 -0.014 0.000 1.072 270 I HN 0.266 nan 8.210 nan 0.000 0.417 271 A N -0.026 122.826 122.820 0.054 0.000 1.903 271 A HA -0.355 3.988 4.320 0.038 0.000 0.219 271 A C 2.540 180.158 177.584 0.058 0.000 1.191 271 A CA 2.355 54.426 52.037 0.057 0.000 0.638 271 A CB -1.528 17.494 19.000 0.036 0.000 0.823 271 A HN 0.639 nan 8.150 nan 0.000 0.451 272 c N -0.766 117.859 118.600 0.042 0.000 2.457 272 c HA 0.085 4.678 4.570 0.038 0.000 0.278 272 c C 2.581 176.707 174.090 0.059 0.000 1.309 272 c CA 0.907 57.258 56.329 0.038 0.000 1.735 272 c CB -1.589 40.933 42.510 0.019 0.000 1.992 272 c HN 0.581 nan 8.230 nan 0.000 0.493 273 L N 0.346 121.616 121.223 0.077 0.000 2.083 273 L HA -0.105 4.258 4.340 0.038 0.000 0.209 273 L C 2.925 179.931 176.870 0.227 0.000 1.083 273 L CA 1.496 56.421 54.840 0.142 0.000 0.752 273 L CB -0.623 41.506 42.059 0.116 0.000 0.899 273 L HN 0.357 nan 8.230 nan 0.000 0.433 274 R N -0.637 119.994 120.500 0.219 0.000 2.280 274 R HA -0.088 4.275 4.340 0.038 0.000 0.207 274 R C 2.035 178.371 176.300 0.059 0.000 1.043 274 R CA 1.501 57.680 56.100 0.131 0.000 1.006 274 R CB -0.249 30.117 30.300 0.110 0.000 0.885 274 R HN 0.485 nan 8.270 nan 0.000 0.467 275 T N -1.864 112.725 114.554 0.059 0.000 3.100 275 T HA 0.133 4.506 4.350 0.038 0.000 0.253 275 T C 0.865 175.584 174.700 0.032 0.000 1.118 275 T CA -0.135 61.985 62.100 0.034 0.000 1.058 275 T CB 0.210 69.097 68.868 0.030 0.000 0.953 275 T HN -0.147 nan 8.240 nan 0.000 0.515 276 R N 2.650 123.178 120.500 0.048 0.000 2.308 276 R HA 0.423 4.786 4.340 0.038 0.000 0.305 276 R C -2.701 173.619 176.300 0.033 0.000 1.053 276 R CA -2.573 53.554 56.100 0.045 0.000 0.957 276 R CB 0.270 30.605 30.300 0.059 0.000 1.022 276 R HN 0.240 nan 8.270 nan 0.000 0.461 277 P HA -0.056 nan 4.420 nan 0.000 0.266 277 P C 0.385 177.672 177.300 -0.022 0.000 1.193 277 P CA 0.268 63.356 63.100 -0.020 0.000 0.770 277 P CB 0.571 32.265 31.700 -0.009 0.000 0.836 278 A N 2.409 125.142 122.820 -0.145 0.000 1.917 278 A HA -0.289 4.054 4.320 0.038 0.000 0.219 278 A C 2.139 179.680 177.584 -0.072 0.000 1.182 278 A CA 2.097 54.030 52.037 -0.173 0.000 0.633 278 A CB -1.236 17.173 19.000 -0.985 0.000 0.819 278 A HN 0.555 nan 8.150 nan 0.000 0.448 279 Q N -0.096 119.629 119.800 -0.126 0.000 2.230 279 Q HA -0.118 4.245 4.340 0.038 0.000 0.202 279 Q C 1.179 177.271 176.000 0.153 0.000 0.963 279 Q CA 1.781 57.663 55.803 0.132 0.000 0.866 279 Q CB -0.339 28.504 28.738 0.175 0.000 0.931 279 Q HN 0.636 nan 8.270 nan 0.000 0.452 280 D N -0.653 119.814 120.400 0.112 0.000 2.144 280 D HA -0.137 4.525 4.640 0.038 0.000 0.199 280 D C 1.396 177.799 176.300 0.171 0.000 0.984 280 D CA 0.714 54.802 54.000 0.146 0.000 0.834 280 D CB 0.009 40.879 40.800 0.116 0.000 0.955 280 D HN 0.220 nan 8.370 nan 0.000 0.465 281 L N 0.145 121.433 121.223 0.108 0.000 2.044 281 L HA -0.080 4.283 4.340 0.038 0.000 0.205 281 L C 2.489 179.388 176.870 0.048 0.000 1.075 281 L CA 0.865 55.720 54.840 0.025 0.000 0.747 281 L CB -0.871 41.099 42.059 -0.149 0.000 0.903 281 L HN -0.057 nan 8.230 nan 0.000 0.435 282 V N -0.210 119.791 119.914 0.145 0.000 2.332 282 V HA -0.330 3.813 4.120 0.038 0.000 0.248 282 V C 2.268 178.477 176.094 0.192 0.000 1.055 282 V CA 1.817 64.260 62.300 0.238 0.000 1.038 282 V CB -0.596 31.503 31.823 0.461 0.000 0.651 282 V HN 0.411 nan 8.190 nan 0.000 0.450 283 D N -0.783 119.707 120.400 0.151 0.000 2.149 283 D HA -0.188 4.475 4.640 0.038 0.000 0.194 283 D C 1.848 178.004 176.300 -0.239 0.000 1.001 283 D CA 1.574 55.575 54.000 0.001 0.000 0.849 283 D CB -0.251 40.525 40.800 -0.039 0.000 0.939 283 D HN 0.561 nan 8.370 nan 0.000 0.449 284 H N -0.385 118.650 119.070 -0.057 0.000 2.520 284 H HA 0.139 4.718 4.556 0.038 0.000 0.284 284 H C 1.449 176.684 175.328 -0.155 0.000 1.037 284 H CA -0.083 55.852 56.048 -0.189 0.000 1.168 284 H CB 0.630 30.395 29.762 0.005 0.000 1.497 284 H HN 0.319 nan 8.280 nan 0.000 0.547 285 E N 0.448 120.617 120.200 -0.052 0.000 2.118 285 E HA -0.179 4.194 4.350 0.038 0.000 0.195 285 E C 0.766 177.189 176.600 -0.296 0.000 0.992 285 E CA 0.997 57.320 56.400 -0.129 0.000 0.804 285 E CB 0.128 29.647 29.700 -0.302 0.000 0.741 285 E HN 0.470 nan 8.360 nan 0.000 0.458 286 W N -0.903 120.325 121.300 -0.121 0.000 3.290 286 W HA 0.113 4.796 4.660 0.038 0.000 0.287 286 W C 1.330 177.891 176.519 0.069 0.000 1.288 286 W CA 0.022 57.314 57.345 -0.089 0.000 1.725 286 W CB 0.193 29.543 29.460 -0.182 0.000 1.103 286 W HN 0.188 nan 8.180 nan 0.000 0.670 287 H N -0.554 118.629 119.070 0.188 0.000 2.539 287 H HA -0.003 4.576 4.556 0.038 0.000 0.267 287 H C 1.999 177.381 175.328 0.089 0.000 0.982 287 H CA 0.729 56.867 56.048 0.151 0.000 1.146 287 H CB 0.378 30.253 29.762 0.188 0.000 1.382 287 H HN 0.119 nan 8.280 nan 0.000 0.577 288 V N -1.607 118.395 119.914 0.146 0.000 3.590 288 V HA 0.147 4.290 4.120 0.038 0.000 0.265 288 V C 0.667 176.743 176.094 -0.030 0.000 1.239 288 V CA -0.065 62.256 62.300 0.035 0.000 1.117 288 V CB -0.324 31.482 31.823 -0.029 0.000 0.818 288 V HN 0.107 nan 8.190 nan 0.000 0.451 289 L N 2.403 123.622 121.223 -0.007 0.000 2.490 289 L HA 0.192 4.555 4.340 0.038 0.000 0.274 289 L C -0.328 176.541 176.870 -0.002 0.000 1.201 289 L CA -0.844 53.984 54.840 -0.019 0.000 0.869 289 L CB 0.510 42.589 42.059 0.034 0.000 1.123 289 L HN 0.160 nan 8.230 nan 0.000 0.484 290 P HA -0.099 nan 4.420 nan 0.000 0.221 290 P C -0.191 177.109 177.300 0.000 0.000 1.150 290 P CA 1.098 64.190 63.100 -0.013 0.000 0.800 290 P CB 0.431 32.116 31.700 -0.024 0.000 0.787 291 Q N -0.757 119.046 119.800 0.006 0.000 2.389 291 Q HA 0.293 4.656 4.340 0.038 0.000 0.277 291 Q C -0.658 175.356 176.000 0.023 0.000 1.082 291 Q CA -0.739 55.071 55.803 0.011 0.000 0.810 291 Q CB 2.154 30.895 28.738 0.005 0.000 1.374 291 Q HN -0.001 nan 8.270 nan 0.000 0.422 292 E N 1.288 121.504 120.200 0.026 0.000 2.558 292 E HA 0.231 4.604 4.350 0.038 0.000 0.255 292 E C -0.993 175.623 176.600 0.026 0.000 0.968 292 E CA 0.322 56.741 56.400 0.032 0.000 0.939 292 E CB 0.336 30.053 29.700 0.028 0.000 0.921 292 E HN 0.579 nan 8.360 nan 0.000 0.477 293 S N 3.643 119.360 115.700 0.028 0.000 2.595 293 S HA 0.547 5.040 4.470 0.038 0.000 0.270 293 S C -0.434 174.172 174.600 0.010 0.000 1.145 293 S CA -0.927 57.282 58.200 0.015 0.000 0.825 293 S CB 0.364 63.565 63.200 0.000 0.000 1.107 293 S HN 0.641 nan 8.310 nan 0.000 0.461 294 I N -2.616 117.955 120.570 0.002 0.000 3.023 294 I HA 0.804 4.997 4.170 0.038 0.000 0.312 294 I C -0.054 176.020 176.117 -0.071 0.000 1.056 294 I CA -1.188 60.108 61.300 -0.006 0.000 1.033 294 I CB 0.833 38.870 38.000 0.062 0.000 1.233 294 I HN 0.759 nan 8.210 nan 0.000 0.462 295 F N 1.516 121.235 119.950 -0.385 0.000 3.090 295 F HA -0.193 4.356 4.527 0.038 0.000 0.282 295 F C -0.243 174.998 175.800 -0.931 0.000 0.923 295 F CA 0.685 58.213 58.000 -0.786 0.000 0.977 295 F CB -0.666 37.802 39.000 -0.887 0.000 0.954 295 F HN 0.561 nan 8.300 nan 0.000 0.695 296 R N 0.248 120.312 120.500 -0.727 0.000 2.673 296 R HA 0.652 5.015 4.340 0.038 0.000 0.281 296 R C -1.073 174.873 176.300 -0.591 0.000 0.991 296 R CA -0.587 55.137 56.100 -0.626 0.000 0.896 296 R CB 1.526 31.715 30.300 -0.185 0.000 1.201 296 R HN -0.027 nan 8.270 nan 0.000 0.457 297 F N -0.816 119.246 119.950 0.187 0.000 2.565 297 F HA 0.343 4.893 4.527 0.038 0.000 0.313 297 F C 1.330 177.065 175.800 -0.108 0.000 1.091 297 F CA -0.909 57.140 58.000 0.081 0.000 0.915 297 F CB 1.968 41.138 39.000 0.283 0.000 1.208 297 F HN 0.363 nan 8.300 nan 0.000 0.453 298 S N 0.589 116.179 115.700 -0.182 0.000 2.414 298 S HA 0.069 4.562 4.470 0.038 0.000 0.227 298 S C -0.088 174.130 174.600 -0.637 0.000 1.022 298 S CA 0.941 58.858 58.200 -0.471 0.000 0.958 298 S CB -0.175 62.637 63.200 -0.646 0.000 0.797 298 S HN 0.368 nan 8.310 nan 0.000 0.493 299 F N 1.781 121.728 119.950 -0.004 0.000 2.532 299 F HA 0.519 5.069 4.527 0.038 0.000 0.365 299 F C -0.116 175.678 175.800 -0.011 0.000 1.112 299 F CA -1.015 57.010 58.000 0.041 0.000 1.082 299 F CB 1.373 40.425 39.000 0.087 0.000 1.319 299 F HN -0.118 nan 8.300 nan 0.000 0.457 300 V N 0.373 120.239 119.914 -0.080 0.000 3.158 300 V HA 0.781 4.924 4.120 0.038 0.000 0.311 300 V C -2.829 172.889 176.094 -0.626 0.000 1.181 300 V CA -3.363 58.576 62.300 -0.601 0.000 1.054 300 V CB 1.966 33.618 31.823 -0.284 0.000 1.085 300 V HN 0.204 nan 8.190 nan 0.000 0.446 301 P HA 0.125 nan 4.420 nan 0.000 0.264 301 P C -0.631 176.538 177.300 -0.219 0.000 1.179 301 P CA 0.488 63.321 63.100 -0.445 0.000 0.763 301 P CB 0.508 31.884 31.700 -0.540 0.000 0.806 302 V N 4.618 124.478 119.914 -0.089 0.000 2.630 302 V HA 0.232 4.375 4.120 0.038 0.000 0.305 302 V C -0.285 175.789 176.094 -0.034 0.000 1.046 302 V CA -0.863 61.407 62.300 -0.051 0.000 0.934 302 V CB 2.104 33.926 31.823 -0.001 0.000 1.003 302 V HN 0.129 nan 8.190 nan 0.000 0.451 303 V N 7.126 127.021 119.914 -0.032 0.000 2.326 303 V HA 0.174 4.317 4.120 0.038 0.000 0.249 303 V C 0.792 176.891 176.094 0.008 0.000 1.114 303 V CA 0.263 62.558 62.300 -0.010 0.000 1.028 303 V CB 0.206 32.015 31.823 -0.023 0.000 1.170 303 V HN 1.062 nan 8.190 nan 0.000 0.494 304 D N 2.716 123.135 120.400 0.033 0.000 2.354 304 D HA 0.100 4.763 4.640 0.038 0.000 0.209 304 D C 1.559 177.882 176.300 0.038 0.000 1.015 304 D CA 0.800 54.824 54.000 0.039 0.000 0.867 304 D CB 0.352 41.189 40.800 0.062 0.000 0.933 304 D HN 0.671 nan 8.370 nan 0.000 0.520 305 G N 0.668 109.491 108.800 0.039 0.000 2.148 305 G HA2 -0.312 3.671 3.960 0.038 0.000 0.254 305 G HA3 -0.312 3.671 3.960 0.038 0.000 0.254 305 G C 0.435 175.357 174.900 0.037 0.000 0.981 305 G CA 0.702 45.820 45.100 0.029 0.000 0.670 305 G HN 0.534 nan 8.290 nan 0.000 0.528 306 D N -1.648 118.790 120.400 0.064 0.000 3.106 306 D HA 0.232 4.895 4.640 0.038 0.000 0.216 306 D C 1.709 178.060 176.300 0.085 0.000 1.540 306 D CA 0.458 54.499 54.000 0.068 0.000 1.389 306 D CB -0.546 40.305 40.800 0.084 0.000 1.080 306 D HN 0.083 nan 8.370 nan 0.000 0.270 307 F N 1.212 121.171 119.950 0.015 0.000 2.102 307 F HA 0.203 4.752 4.527 0.038 0.000 0.298 307 F C 0.543 176.345 175.800 0.003 0.000 1.105 307 F CA 1.165 59.173 58.000 0.015 0.000 1.239 307 F CB 0.145 39.153 39.000 0.013 0.000 0.991 307 F HN -0.041 nan 8.300 nan 0.000 0.474 308 L N 0.789 122.172 121.223 0.266 0.000 2.277 308 L HA 0.206 4.569 4.340 0.038 0.000 0.284 308 L C 1.335 178.245 176.870 0.067 0.000 1.028 308 L CA -0.253 54.672 54.840 0.142 0.000 0.835 308 L CB 1.370 43.503 42.059 0.124 0.000 1.215 308 L HN 0.057 nan 8.230 nan 0.000 0.425 309 S N 0.211 115.930 115.700 0.031 0.000 2.481 309 S HA 0.000 4.493 4.470 0.038 0.000 0.231 309 S C 0.448 175.055 174.600 0.011 0.000 0.996 309 S CA 0.391 58.599 58.200 0.014 0.000 0.942 309 S CB 0.102 63.299 63.200 -0.005 0.000 0.768 309 S HN 0.717 nan 8.310 nan 0.000 0.520 310 D N 0.243 120.651 120.400 0.014 0.000 2.692 310 D HA 0.262 4.925 4.640 0.038 0.000 0.303 310 D C -0.853 175.449 176.300 0.003 0.000 1.278 310 D CA 0.004 54.007 54.000 0.005 0.000 0.852 310 D CB 1.365 42.165 40.800 0.001 0.000 1.375 310 D HN 0.205 nan 8.370 nan 0.000 0.453 311 T N -0.760 113.788 114.554 -0.009 0.000 2.937 311 T HA 0.194 4.567 4.350 0.038 0.000 0.316 311 T C -1.783 172.908 174.700 -0.015 0.000 1.079 311 T CA -0.610 61.477 62.100 -0.023 0.000 1.131 311 T CB 0.899 69.747 68.868 -0.034 0.000 1.000 311 T HN 0.112 nan 8.240 nan 0.000 0.549 312 P HA -0.106 nan 4.420 nan 0.000 0.216 312 P C 1.392 178.684 177.300 -0.014 0.000 1.153 312 P CA 1.143 64.228 63.100 -0.025 0.000 0.858 312 P CB 0.057 31.712 31.700 -0.075 0.000 0.789 313 E N -0.342 119.839 120.200 -0.032 0.000 2.038 313 E HA -0.178 4.195 4.350 0.038 0.000 0.195 313 E C 2.179 178.783 176.600 0.008 0.000 1.000 313 E CA 1.750 58.139 56.400 -0.018 0.000 0.803 313 E CB -1.244 28.437 29.700 -0.032 0.000 0.750 313 E HN 0.135 nan 8.360 nan 0.000 0.448 314 A N 0.398 123.220 122.820 0.004 0.000 1.933 314 A HA -0.162 4.181 4.320 0.038 0.000 0.218 314 A C 2.190 179.792 177.584 0.031 0.000 1.175 314 A CA 1.268 53.312 52.037 0.012 0.000 0.628 314 A CB -0.640 18.361 19.000 0.001 0.000 0.814 314 A HN 0.198 nan 8.150 nan 0.000 0.444 315 L N -0.138 121.112 121.223 0.044 0.000 2.109 315 L HA -0.097 4.266 4.340 0.038 0.000 0.207 315 L C 2.572 179.544 176.870 0.169 0.000 1.086 315 L CA 1.364 56.251 54.840 0.079 0.000 0.760 315 L CB -0.606 41.502 42.059 0.081 0.000 0.910 315 L HN 0.654 nan 8.230 nan 0.000 0.437 316 I N -2.635 118.036 120.570 0.168 0.000 2.546 316 I HA -0.136 4.057 4.170 0.038 0.000 0.255 316 I C 1.793 178.042 176.117 0.219 0.000 1.163 316 I CA 1.306 62.752 61.300 0.242 0.000 1.457 316 I CB -0.456 37.586 38.000 0.069 0.000 1.092 316 I HN 0.187 nan 8.210 nan 0.000 0.434 317 N N 1.357 120.126 118.700 0.116 0.000 2.396 317 N HA -0.090 4.673 4.740 0.038 0.000 0.180 317 N C 1.726 177.277 175.510 0.069 0.000 1.028 317 N CA 1.905 55.005 53.050 0.084 0.000 0.893 317 N CB -0.220 38.294 38.487 0.045 0.000 0.967 317 N HN 0.700 nan 8.380 nan 0.000 0.440 318 T N -4.269 110.317 114.554 0.053 0.000 3.003 318 T HA 0.286 4.659 4.350 0.038 0.000 0.261 318 T C 0.994 175.645 174.700 -0.082 0.000 1.003 318 T CA -0.348 61.749 62.100 -0.006 0.000 0.917 318 T CB 0.037 68.894 68.868 -0.019 0.000 1.084 318 T HN 0.031 nan 8.240 nan 0.000 0.522 319 G N 1.272 109.997 108.800 -0.124 0.000 2.491 319 G HA2 0.376 4.359 3.960 0.038 0.000 0.242 319 G HA3 0.376 4.359 3.960 0.038 0.000 0.242 319 G C -0.920 173.575 174.900 -0.675 0.000 1.266 319 G CA -0.309 44.440 45.100 -0.584 0.000 0.844 319 G HN 0.301 nan 8.290 nan 0.000 0.571 320 D N 0.925 120.922 120.400 -0.671 0.000 2.317 320 D HA 0.323 4.986 4.640 0.038 0.000 0.234 320 D C -0.400 175.566 176.300 -0.557 0.000 1.112 320 D CA -0.692 53.052 54.000 -0.427 0.000 0.840 320 D CB 0.698 41.364 40.800 -0.224 0.000 1.078 320 D HN 0.122 nan 8.370 nan 0.000 0.486 321 F N 2.025 121.976 119.950 0.000 0.000 2.791 321 F HA 0.226 4.777 4.527 0.039 0.000 0.308 321 F C 2.015 177.816 175.800 0.002 0.000 1.138 321 F CA -0.371 57.631 58.000 0.004 0.000 1.294 321 F CB 0.309 39.320 39.000 0.019 0.000 0.975 321 F HN 0.356 nan 8.300 nan 0.000 0.512 322 Q N 0.032 119.889 119.800 0.096 0.000 2.181 322 Q HA -0.183 4.180 4.340 0.038 0.000 0.205 322 Q C 0.691 176.723 176.000 0.054 0.000 0.980 322 Q CA 1.415 57.255 55.803 0.063 0.000 0.862 322 Q CB -0.006 28.744 28.738 0.020 0.000 0.905 322 Q HN 0.276 nan 8.270 nan 0.000 0.429 323 D N -0.390 120.036 120.400 0.043 0.000 2.358 323 D HA 0.120 4.783 4.640 0.038 0.000 0.224 323 D C -0.950 175.372 176.300 0.037 0.000 1.123 323 D CA 0.044 54.059 54.000 0.025 0.000 0.833 323 D CB 0.304 41.101 40.800 -0.005 0.000 0.946 323 D HN 0.004 nan 8.370 nan 0.000 0.505 324 L N 0.820 122.091 121.223 0.079 0.000 2.329 324 L HA 0.441 4.803 4.340 0.038 0.000 0.279 324 L C -0.961 175.974 176.870 0.107 0.000 1.014 324 L CA -0.475 54.423 54.840 0.097 0.000 0.814 324 L CB 1.711 43.865 42.059 0.159 0.000 1.257 324 L HN -0.247 nan 8.230 nan 0.000 0.424 325 Q N 3.208 123.083 119.800 0.124 0.000 2.309 325 Q HA 0.802 5.165 4.340 0.038 0.000 0.264 325 Q C -1.443 174.782 176.000 0.374 0.000 1.008 325 Q CA -0.523 55.401 55.803 0.202 0.000 0.853 325 Q CB 2.590 31.392 28.738 0.106 0.000 1.314 325 Q HN 0.476 nan 8.270 nan 0.000 0.448 326 V N 2.198 122.337 119.914 0.376 0.000 2.733 326 V HA 0.447 4.590 4.120 0.038 0.000 0.306 326 V C -1.498 174.597 176.094 0.002 0.000 1.084 326 V CA -0.868 61.571 62.300 0.233 0.000 0.905 326 V CB 1.902 33.765 31.823 0.068 0.000 1.010 326 V HN 0.608 nan 8.190 nan 0.000 0.424 327 L N 6.752 127.738 121.223 -0.395 0.000 2.296 327 L HA 0.906 5.269 4.340 0.038 0.000 0.286 327 L C -0.394 176.364 176.870 -0.185 0.000 1.023 327 L CA -0.104 54.418 54.840 -0.531 0.000 0.812 327 L CB 1.605 42.885 42.059 -1.298 0.000 1.223 327 L HN 0.653 nan 8.230 nan 0.000 0.421 328 V N 2.094 121.971 119.914 -0.063 0.000 3.007 328 V HA 1.125 5.268 4.120 0.038 0.000 0.311 328 V C -0.220 175.672 176.094 -0.337 0.000 1.120 328 V CA 0.176 62.418 62.300 -0.097 0.000 0.980 328 V CB 1.176 32.910 31.823 -0.149 0.000 1.033 328 V HN 1.090 nan 8.190 nan 0.000 0.429 329 G N 0.849 109.283 108.800 -0.610 0.000 2.488 329 G HA2 0.789 4.772 3.960 0.038 0.000 0.301 329 G HA3 0.789 4.772 3.960 0.038 0.000 0.301 329 G C -1.229 173.332 174.900 -0.565 0.000 1.339 329 G CA 0.065 44.389 45.100 -1.292 0.000 0.803 329 G HN 2.098 nan 8.290 nan 0.000 0.482 330 V N -2.327 117.391 119.914 -0.326 0.000 3.159 330 V HA 0.911 5.054 4.120 0.038 0.000 0.308 330 V C 0.331 176.599 176.094 0.289 0.000 1.190 330 V CA -0.423 61.912 62.300 0.058 0.000 1.037 330 V CB 1.087 32.924 31.823 0.023 0.000 1.060 330 V HN 1.822 nan 8.190 nan 0.000 0.437 331 V N -0.148 119.960 119.914 0.323 0.000 3.262 331 V HA 0.553 4.696 4.120 0.038 0.000 0.313 331 V C 1.360 177.639 176.094 0.308 0.000 1.070 331 V CA 0.044 62.589 62.300 0.408 0.000 1.049 331 V CB 1.171 33.222 31.823 0.380 0.000 1.157 331 V HN 1.098 nan 8.190 nan 0.000 0.454 332 K N -0.521 120.060 120.400 0.301 0.000 2.217 332 K HA 0.011 4.354 4.320 0.038 0.000 0.202 332 K C 0.151 176.865 176.600 0.190 0.000 1.051 332 K CA 1.367 57.785 56.287 0.218 0.000 0.952 332 K CB 0.146 32.756 32.500 0.183 0.000 0.736 332 K HN 0.897 nan 8.250 nan 0.000 0.453 333 D N 1.192 121.711 120.400 0.199 0.000 2.613 333 D HA 0.033 4.696 4.640 0.038 0.000 0.312 333 D C 0.035 176.449 176.300 0.189 0.000 1.202 333 D CA -0.085 54.018 54.000 0.172 0.000 0.825 333 D CB 1.331 42.213 40.800 0.137 0.000 1.113 333 D HN 0.104 nan 8.370 nan 0.000 0.502 334 E N 0.474 120.802 120.200 0.213 0.000 2.160 334 E HA -0.117 4.255 4.350 0.038 0.000 0.195 334 E C 1.887 178.657 176.600 0.283 0.000 0.991 334 E CA 0.777 57.340 56.400 0.271 0.000 0.810 334 E CB 0.224 30.060 29.700 0.227 0.000 0.742 334 E HN 0.429 nan 8.360 nan 0.000 0.466 335 G N 0.772 109.697 108.800 0.210 0.000 2.744 335 G HA2 -0.121 3.862 3.960 0.038 0.000 0.211 335 G HA3 -0.121 3.862 3.960 0.038 0.000 0.211 335 G C 1.679 176.721 174.900 0.237 0.000 1.146 335 G CA 0.675 45.915 45.100 0.233 0.000 0.787 335 G HN 0.338 nan 8.290 nan 0.000 0.534 336 S N 1.677 117.463 115.700 0.144 0.000 2.359 336 S HA -0.035 4.458 4.470 0.038 0.000 0.224 336 S C 2.610 177.166 174.600 -0.074 0.000 1.035 336 S CA 1.570 59.815 58.200 0.075 0.000 1.018 336 S CB -0.685 62.520 63.200 0.008 0.000 0.876 336 S HN 0.528 nan 8.310 nan 0.000 0.448 337 A N 0.615 123.285 122.820 -0.251 0.000 2.024 337 A HA 0.101 4.444 4.320 0.038 0.000 0.220 337 A C 1.833 179.208 177.584 -0.348 0.000 1.164 337 A CA 1.263 52.978 52.037 -0.537 0.000 0.643 337 A CB -1.065 17.449 19.000 -0.810 0.000 0.806 337 A HN 0.593 nan 8.150 nan 0.000 0.451 338 F N -0.311 119.568 119.950 -0.119 0.000 2.558 338 F HA 0.050 4.600 4.527 0.037 0.000 0.298 338 F C 1.874 177.704 175.800 0.050 0.000 1.119 338 F CA 0.638 58.591 58.000 -0.078 0.000 1.451 338 F CB -0.189 38.712 39.000 -0.165 0.000 1.091 338 F HN 0.115 nan 8.300 nan 0.000 0.563 339 L N -0.254 121.053 121.223 0.141 0.000 2.156 339 L HA -0.114 4.249 4.340 0.038 0.000 0.208 339 L C 2.386 179.345 176.870 0.149 0.000 1.095 339 L CA 0.842 55.657 54.840 -0.041 0.000 0.770 339 L CB -0.760 40.965 42.059 -0.557 0.000 0.914 339 L HN 0.147 nan 8.230 nan 0.000 0.439 340 V N -4.651 115.432 119.914 0.281 0.000 3.380 340 V HA -0.166 3.977 4.120 0.038 0.000 0.268 340 V C 1.499 177.647 176.094 0.089 0.000 1.168 340 V CA 0.865 63.334 62.300 0.281 0.000 1.156 340 V CB -1.107 30.937 31.823 0.369 0.000 0.785 340 V HN 0.302 nan 8.190 nan 0.000 0.487 341 Y N 1.717 122.075 120.300 0.096 0.000 2.470 341 Y HA 0.610 5.183 4.550 0.038 0.000 0.284 341 Y C 1.845 177.748 175.900 0.005 0.000 1.188 341 Y CA 0.495 58.609 58.100 0.023 0.000 1.269 341 Y CB 0.540 38.993 38.460 -0.010 0.000 1.094 341 Y HN 0.439 nan 8.280 nan 0.000 0.518 342 G N -1.708 107.181 108.800 0.147 0.000 3.897 342 G HA2 -0.085 3.898 3.960 0.038 0.000 0.207 342 G HA3 -0.085 3.898 3.960 0.038 0.000 0.207 342 G C -0.595 174.377 174.900 0.120 0.000 0.872 342 G CA -0.426 44.737 45.100 0.104 0.000 0.872 342 G HN -0.088 nan 8.290 nan 0.000 0.442 343 V N 3.618 123.627 119.914 0.159 0.000 2.446 343 V HA 0.314 4.457 4.120 0.038 0.000 0.276 343 V C -1.852 174.423 176.094 0.302 0.000 1.030 343 V CA -1.062 61.368 62.300 0.216 0.000 1.033 343 V CB 0.766 32.705 31.823 0.193 0.000 0.993 343 V HN 0.107 nan 8.190 nan 0.000 0.477 344 P HA 0.224 nan 4.420 nan 0.000 0.262 344 P C 1.032 178.403 177.300 0.118 0.000 1.182 344 P CA 1.368 64.548 63.100 0.135 0.000 0.761 344 P CB 0.612 32.362 31.700 0.083 0.000 0.795 345 G N 1.400 110.212 108.800 0.020 0.000 2.213 345 G HA2 -0.221 3.761 3.960 0.038 0.000 0.226 345 G HA3 -0.221 3.761 3.960 0.038 0.000 0.226 345 G C -0.143 174.547 174.900 -0.350 0.000 0.992 345 G CA -0.595 44.398 45.100 -0.179 0.000 0.632 345 G HN 0.407 nan 8.290 nan 0.000 0.511 346 F N 1.513 121.480 119.950 0.029 0.000 2.421 346 F HA 0.777 5.326 4.527 0.037 0.000 0.337 346 F C 0.621 176.514 175.800 0.155 0.000 1.105 346 F CA -0.013 58.030 58.000 0.071 0.000 1.049 346 F CB 2.247 41.334 39.000 0.146 0.000 1.139 346 F HN 0.144 nan 8.300 nan 0.000 0.479 347 S N 1.555 117.493 115.700 0.396 0.000 2.550 347 S HA 0.264 4.757 4.470 0.038 0.000 0.270 347 S C 0.254 175.152 174.600 0.497 0.000 1.145 347 S CA -0.896 57.532 58.200 0.379 0.000 0.852 347 S CB 1.357 64.681 63.200 0.207 0.000 1.119 347 S HN 0.762 nan 8.310 nan 0.000 0.465 348 K N 1.218 121.819 120.400 0.335 0.000 2.366 348 K HA 0.118 4.461 4.320 0.038 0.000 0.198 348 K C -0.024 176.605 176.600 0.047 0.000 1.044 348 K CA 1.143 57.522 56.287 0.153 0.000 0.973 348 K CB -0.051 32.307 32.500 -0.235 0.000 0.767 348 K HN 0.412 nan 8.250 nan 0.000 0.475 349 D N 0.822 121.246 120.400 0.041 0.000 2.369 349 D HA 0.025 4.688 4.640 0.038 0.000 0.211 349 D C -0.331 175.998 176.300 0.048 0.000 1.077 349 D CA 0.168 54.159 54.000 -0.015 0.000 0.842 349 D CB 0.185 40.948 40.800 -0.063 0.000 0.947 349 D HN 0.468 nan 8.370 nan 0.000 0.509 350 N N -1.034 117.732 118.700 0.109 0.000 2.761 350 N HA 0.126 4.889 4.740 0.038 0.000 0.283 350 N C 0.400 175.970 175.510 0.100 0.000 1.377 350 N CA -0.570 52.520 53.050 0.068 0.000 0.791 350 N CB 0.924 39.410 38.487 -0.002 0.000 1.540 350 N HN -0.374 nan 8.380 nan 0.000 0.539 351 E N -0.492 119.693 120.200 -0.024 0.000 2.482 351 E HA 0.004 4.377 4.350 0.038 0.000 0.196 351 E C -0.465 175.790 176.600 -0.575 0.000 1.047 351 E CA 0.355 56.665 56.400 -0.150 0.000 0.869 351 E CB -0.331 29.319 29.700 -0.083 0.000 0.836 351 E HN 0.605 nan 8.360 nan 0.000 0.520 352 S N 0.378 115.788 115.700 -0.483 0.000 3.682 352 S HA -0.183 4.310 4.470 0.038 0.000 0.354 352 S C 0.309 174.487 174.600 -0.703 0.000 1.034 352 S CA 0.177 57.960 58.200 -0.695 0.000 1.084 352 S CB -1.782 60.828 63.200 -0.985 0.000 0.903 352 S HN 0.310 nan 8.310 nan 0.000 0.470 353 L N 1.660 122.616 121.223 -0.445 0.000 2.462 353 L HA 0.408 4.771 4.340 0.038 0.000 0.272 353 L C 0.773 177.439 176.870 -0.340 0.000 1.166 353 L CA 0.142 54.780 54.840 -0.336 0.000 0.880 353 L CB 0.124 42.055 42.059 -0.213 0.000 1.142 353 L HN 0.486 nan 8.230 nan 0.000 0.473 354 I N 0.097 120.475 120.570 -0.320 0.000 2.910 354 I HA 0.672 4.865 4.170 0.038 0.000 0.310 354 I C 0.319 176.359 176.117 -0.129 0.000 1.043 354 I CA -0.655 60.489 61.300 -0.259 0.000 1.053 354 I CB 2.144 39.953 38.000 -0.320 0.000 1.242 354 I HN 0.565 nan 8.210 nan 0.000 0.452 355 S N 2.652 118.308 115.700 -0.073 0.000 2.707 355 S HA 0.446 4.939 4.470 0.038 0.000 0.276 355 S C 0.897 175.523 174.600 0.043 0.000 1.179 355 S CA -0.631 57.556 58.200 -0.022 0.000 0.992 355 S CB 1.692 64.884 63.200 -0.014 0.000 1.030 355 S HN 0.837 nan 8.310 nan 0.000 0.554 356 R N 0.008 120.543 120.500 0.058 0.000 2.081 356 R HA -0.076 4.287 4.340 0.038 0.000 0.235 356 R C 2.483 178.868 176.300 0.141 0.000 1.131 356 R CA 1.416 57.591 56.100 0.126 0.000 0.960 356 R CB -1.062 29.287 30.300 0.082 0.000 0.856 356 R HN 0.851 nan 8.270 nan 0.000 0.436 357 A N 0.622 123.490 122.820 0.081 0.000 1.933 357 A HA -0.213 4.130 4.320 0.038 0.000 0.218 357 A C 1.949 179.577 177.584 0.073 0.000 1.175 357 A CA 1.292 53.366 52.037 0.061 0.000 0.628 357 A CB -0.313 18.709 19.000 0.037 0.000 0.814 357 A HN 0.413 nan 8.150 nan 0.000 0.444 358 Q N -1.980 117.873 119.800 0.089 0.000 2.187 358 Q HA -0.005 4.358 4.340 0.038 0.000 0.199 358 Q C 1.853 177.970 176.000 0.195 0.000 0.957 358 Q CA 1.103 56.968 55.803 0.103 0.000 0.857 358 Q CB -0.211 28.558 28.738 0.051 0.000 0.929 358 Q HN 0.818 nan 8.270 nan 0.000 0.453 359 F N 0.929 120.909 119.950 0.049 0.000 2.102 359 F HA -0.262 4.290 4.527 0.043 0.000 0.298 359 F C 1.958 177.797 175.800 0.063 0.000 1.105 359 F CA 0.697 58.738 58.000 0.069 0.000 1.239 359 F CB 0.077 39.102 39.000 0.042 0.000 0.991 359 F HN 0.106 nan 8.300 nan 0.000 0.474 360 L N 1.140 122.294 121.223 -0.116 0.000 2.056 360 L HA -0.034 4.329 4.340 0.038 0.000 0.207 360 L C 2.472 179.284 176.870 -0.097 0.000 1.078 360 L CA 2.021 56.742 54.840 -0.197 0.000 0.749 360 L CB -1.340 40.669 42.059 -0.083 0.000 0.901 360 L HN 0.157 nan 8.230 nan 0.000 0.433 361 A N -0.342 122.469 122.820 -0.014 0.000 1.908 361 A HA -0.116 4.227 4.320 0.038 0.000 0.218 361 A C 2.345 179.943 177.584 0.023 0.000 1.181 361 A CA 1.691 53.736 52.037 0.013 0.000 0.627 361 A CB -1.654 17.371 19.000 0.041 0.000 0.818 361 A HN 0.551 nan 8.150 nan 0.000 0.445 362 G N -0.686 108.147 108.800 0.054 0.000 2.418 362 G HA2 -0.111 3.872 3.960 0.038 0.000 0.217 362 G HA3 -0.111 3.872 3.960 0.038 0.000 0.217 362 G C 1.489 176.386 174.900 -0.006 0.000 1.158 362 G CA 1.169 46.317 45.100 0.079 0.000 0.771 362 G HN 0.330 nan 8.290 nan 0.000 0.545 363 V N 1.137 120.979 119.914 -0.119 0.000 2.490 363 V HA -0.149 3.994 4.120 0.038 0.000 0.250 363 V C 2.962 179.018 176.094 -0.063 0.000 1.061 363 V CA 1.659 63.875 62.300 -0.141 0.000 1.064 363 V CB -0.390 31.259 31.823 -0.290 0.000 0.670 363 V HN 0.240 nan 8.190 nan 0.000 0.461 364 R N -0.177 120.294 120.500 -0.049 0.000 2.115 364 R HA 0.040 4.402 4.340 0.038 0.000 0.230 364 R C 1.983 178.279 176.300 -0.006 0.000 1.111 364 R CA 1.304 57.391 56.100 -0.022 0.000 0.976 364 R CB -0.731 29.561 30.300 -0.014 0.000 0.870 364 R HN 0.477 nan 8.270 nan 0.000 0.445 365 I N -0.591 119.982 120.570 0.004 0.000 2.703 365 I HA -0.006 4.187 4.170 0.038 0.000 0.259 365 I C 2.216 178.340 176.117 0.012 0.000 1.151 365 I CA 1.071 62.381 61.300 0.016 0.000 1.470 365 I CB -0.316 37.704 38.000 0.034 0.000 1.112 365 I HN 0.163 nan 8.210 nan 0.000 0.437 366 G N 0.376 109.180 108.800 0.006 0.000 2.464 366 G HA2 -0.013 3.970 3.960 0.038 0.000 0.217 366 G HA3 -0.013 3.970 3.960 0.038 0.000 0.217 366 G C 0.785 175.691 174.900 0.010 0.000 1.138 366 G CA 0.377 45.479 45.100 0.004 0.000 0.793 366 G HN 0.208 nan 8.290 nan 0.000 0.539 367 V N 2.220 122.126 119.914 -0.014 0.000 2.320 367 V HA 0.224 4.367 4.120 0.038 0.000 0.257 367 V C -1.498 174.588 176.094 -0.013 0.000 0.996 367 V CA -1.112 61.156 62.300 -0.053 0.000 0.928 367 V CB 1.669 33.442 31.823 -0.083 0.000 1.169 367 V HN 0.068 nan 8.190 nan 0.000 0.475 368 P HA -0.164 nan 4.420 nan 0.000 0.223 368 P C 1.278 178.580 177.300 0.004 0.000 1.151 368 P CA 1.019 64.124 63.100 0.008 0.000 0.787 368 P CB 0.384 32.090 31.700 0.010 0.000 0.788 369 Q N -0.253 119.553 119.800 0.011 0.000 2.444 369 Q HA 0.144 4.507 4.340 0.038 0.000 0.206 369 Q C 0.639 176.632 176.000 -0.011 0.000 0.948 369 Q CA 0.117 55.921 55.803 0.002 0.000 0.946 369 Q CB -0.609 28.138 28.738 0.014 0.000 1.027 369 Q HN 0.034 nan 8.270 nan 0.000 0.513 370 A N 2.074 124.885 122.820 -0.015 0.000 2.440 370 A HA 0.398 4.741 4.320 0.038 0.000 0.251 370 A C 0.454 178.026 177.584 -0.021 0.000 1.089 370 A CA 0.012 52.034 52.037 -0.024 0.000 0.779 370 A CB 0.346 19.334 19.000 -0.020 0.000 1.022 370 A HN 0.505 nan 8.150 nan 0.000 0.492 371 S N 1.711 117.395 115.700 -0.026 0.000 2.634 371 S HA 0.194 4.687 4.470 0.038 0.000 0.261 371 S C 0.395 174.989 174.600 -0.010 0.000 1.271 371 S CA -0.073 58.116 58.200 -0.019 0.000 0.985 371 S CB 0.477 63.662 63.200 -0.024 0.000 0.968 371 S HN 0.621 nan 8.310 nan 0.000 0.568 372 D N 0.151 120.549 120.400 -0.003 0.000 2.133 372 D HA -0.108 4.555 4.640 0.038 0.000 0.195 372 D C 1.731 178.040 176.300 0.016 0.000 0.997 372 D CA 1.177 55.180 54.000 0.005 0.000 0.840 372 D CB -0.474 40.331 40.800 0.008 0.000 0.947 372 D HN 0.469 nan 8.370 nan 0.000 0.452 373 L N 0.475 121.709 121.223 0.018 0.000 2.056 373 L HA 0.008 4.371 4.340 0.038 0.000 0.207 373 L C 2.050 178.952 176.870 0.053 0.000 1.078 373 L CA 1.794 56.657 54.840 0.038 0.000 0.749 373 L CB -0.589 41.489 42.059 0.032 0.000 0.901 373 L HN -0.028 nan 8.230 nan 0.000 0.433 374 A N -0.405 122.425 122.820 0.017 0.000 1.969 374 A HA -0.005 4.338 4.320 0.038 0.000 0.218 374 A C 2.420 180.030 177.584 0.043 0.000 1.169 374 A CA 1.477 53.520 52.037 0.009 0.000 0.635 374 A CB -1.035 17.927 19.000 -0.063 0.000 0.810 374 A HN 0.580 nan 8.150 nan 0.000 0.445 375 A N -0.337 122.497 122.820 0.023 0.000 1.930 375 A HA -0.081 4.262 4.320 0.038 0.000 0.217 375 A C 1.943 179.544 177.584 0.028 0.000 1.175 375 A CA 1.933 53.976 52.037 0.011 0.000 0.627 375 A CB -0.377 18.615 19.000 -0.014 0.000 0.815 375 A HN 0.509 nan 8.150 nan 0.000 0.443 376 E N 0.295 120.527 120.200 0.054 0.000 2.106 376 E HA -0.022 4.351 4.350 0.038 0.000 0.192 376 E C 1.982 178.663 176.600 0.136 0.000 0.984 376 E CA 1.369 57.818 56.400 0.082 0.000 0.806 376 E CB -0.393 29.356 29.700 0.082 0.000 0.750 376 E HN 0.468 nan 8.360 nan 0.000 0.458 377 A N -0.003 122.926 122.820 0.182 0.000 1.877 377 A HA -0.139 4.203 4.320 0.038 0.000 0.216 377 A C 2.468 180.194 177.584 0.237 0.000 1.186 377 A CA 1.612 53.818 52.037 0.281 0.000 0.620 377 A CB -0.852 18.430 19.000 0.471 0.000 0.822 377 A HN 0.188 nan 8.150 nan 0.000 0.443 378 V N -0.446 119.624 119.914 0.260 0.000 2.255 378 V HA -0.267 3.876 4.120 0.038 0.000 0.247 378 V C 2.570 178.808 176.094 0.239 0.000 1.051 378 V CA 2.161 64.580 62.300 0.199 0.000 1.018 378 V CB -0.915 31.004 31.823 0.160 0.000 0.641 378 V HN 0.367 nan 8.190 nan 0.000 0.445 379 V N -0.300 119.692 119.914 0.130 0.000 2.295 379 V HA -0.263 3.880 4.120 0.038 0.000 0.246 379 V C 2.324 178.607 176.094 0.315 0.000 1.049 379 V CA 2.166 64.561 62.300 0.157 0.000 1.024 379 V CB -0.508 31.301 31.823 -0.023 0.000 0.648 379 V HN 0.454 nan 8.190 nan 0.000 0.447 380 L N -0.564 120.827 121.223 0.280 0.000 2.043 380 L HA -0.271 4.091 4.340 0.038 0.000 0.212 380 L C 2.545 179.635 176.870 0.367 0.000 1.075 380 L CA 2.301 57.385 54.840 0.406 0.000 0.752 380 L CB -0.852 41.400 42.059 0.322 0.000 0.891 380 L HN 0.472 nan 8.230 nan 0.000 0.432 381 H N -1.151 117.939 119.070 0.034 0.000 2.389 381 H HA -0.171 4.411 4.556 0.042 0.000 0.299 381 H C 1.771 177.020 175.328 -0.131 0.000 1.081 381 H CA 1.711 57.632 56.048 -0.212 0.000 1.345 381 H CB 0.074 29.327 29.762 -0.849 0.000 1.393 381 H HN 0.275 nan 8.280 nan 0.000 0.520 382 Y N -0.083 120.293 120.300 0.127 0.000 2.500 382 Y HA 0.128 4.701 4.550 0.037 0.000 0.270 382 Y C 0.826 176.792 175.900 0.110 0.000 1.134 382 Y CA 0.297 58.497 58.100 0.166 0.000 1.293 382 Y CB 0.230 38.905 38.460 0.357 0.000 1.063 382 Y HN 0.032 nan 8.280 nan 0.000 0.534 383 T N 1.180 115.802 114.554 0.113 0.000 2.940 383 T HA -0.052 4.321 4.350 0.038 0.000 0.309 383 T C -0.312 174.115 174.700 -0.454 0.000 1.056 383 T CA -0.067 61.859 62.100 -0.289 0.000 1.137 383 T CB 0.300 68.674 68.868 -0.823 0.000 0.976 383 T HN 0.133 nan 8.240 nan 0.000 0.547 384 D N 1.559 121.672 120.400 -0.477 0.000 2.396 384 D HA 0.200 4.863 4.640 0.038 0.000 0.225 384 D C -0.000 176.020 176.300 -0.467 0.000 1.121 384 D CA -0.631 53.066 54.000 -0.505 0.000 0.853 384 D CB 0.354 40.672 40.800 -0.804 0.000 1.043 384 D HN 0.586 nan 8.370 nan 0.000 0.500 385 W N 2.950 124.171 121.300 -0.132 0.000 2.825 385 W HA 0.113 4.791 4.660 0.031 0.000 0.243 385 W C 1.513 177.933 176.519 -0.166 0.000 1.293 385 W CA -0.163 57.114 57.345 -0.113 0.000 1.403 385 W CB -0.005 29.400 29.460 -0.092 0.000 1.134 385 W HN 0.454 nan 8.180 nan 0.000 0.666 386 L N -1.370 119.767 121.223 -0.143 0.000 2.307 386 L HA 0.001 4.364 4.340 0.038 0.000 0.211 386 L C 0.107 176.585 176.870 -0.654 0.000 1.099 386 L CA 0.949 55.545 54.840 -0.407 0.000 0.816 386 L CB -0.265 41.455 42.059 -0.566 0.000 0.952 386 L HN -0.017 nan 8.230 nan 0.000 0.455 387 H N -1.418 117.589 119.070 -0.106 0.000 2.379 387 H HA 0.174 4.727 4.556 -0.004 0.000 0.229 387 H C -1.927 173.305 175.328 -0.159 0.000 1.423 387 H CA -1.396 54.586 56.048 -0.110 0.000 1.375 387 H CB 0.191 29.889 29.762 -0.106 0.000 1.592 387 H HN -0.071 nan 8.280 nan 0.000 0.507 388 P HA -0.090 nan 4.420 nan 0.000 0.237 388 P C 0.557 177.791 177.300 -0.110 0.000 1.178 388 P CA 0.925 63.898 63.100 -0.212 0.000 0.766 388 P CB 0.732 32.287 31.700 -0.242 0.000 0.876 389 E N -0.404 119.771 120.200 -0.041 0.000 2.511 389 E HA 0.035 4.408 4.350 0.038 0.000 0.209 389 E C 0.039 176.626 176.600 -0.022 0.000 0.986 389 E CA -0.046 56.339 56.400 -0.024 0.000 0.974 389 E CB -0.033 29.662 29.700 -0.008 0.000 1.030 389 E HN 0.256 nan 8.360 nan 0.000 0.490 390 D N 2.556 122.953 120.400 -0.006 0.000 2.412 390 D HA -0.021 4.642 4.640 0.038 0.000 0.257 390 D C -1.636 174.642 176.300 -0.038 0.000 1.217 390 D CA -1.298 52.691 54.000 -0.018 0.000 0.897 390 D CB 1.316 42.107 40.800 -0.015 0.000 1.132 390 D HN -0.166 nan 8.370 nan 0.000 0.493 391 P HA -0.085 nan 4.420 nan 0.000 0.221 391 P C 1.128 178.357 177.300 -0.118 0.000 1.150 391 P CA 0.831 63.870 63.100 -0.102 0.000 0.800 391 P CB 0.231 31.864 31.700 -0.112 0.000 0.787 392 T N -1.618 112.887 114.554 -0.082 0.000 2.737 392 T HA -0.178 4.195 4.350 0.038 0.000 0.265 392 T C 1.741 176.413 174.700 -0.046 0.000 1.038 392 T CA 1.558 63.618 62.100 -0.066 0.000 1.144 392 T CB -1.012 67.836 68.868 -0.034 0.000 0.866 392 T HN 0.230 nan 8.240 nan 0.000 0.434 393 H N 0.804 119.817 119.070 -0.096 0.000 2.353 393 H HA 0.072 4.656 4.556 0.046 0.000 0.300 393 H C 2.002 177.228 175.328 -0.170 0.000 1.090 393 H CA 1.285 57.273 56.048 -0.099 0.000 1.327 393 H CB -0.467 29.239 29.762 -0.093 0.000 1.383 393 H HN 0.227 nan 8.280 nan 0.000 0.508 394 L N -0.108 120.965 121.223 -0.250 0.000 2.046 394 L HA -0.165 4.198 4.340 0.038 0.000 0.208 394 L C 2.865 179.530 176.870 -0.342 0.000 1.077 394 L CA 1.615 56.188 54.840 -0.445 0.000 0.747 394 L CB -0.444 41.431 42.059 -0.307 0.000 0.896 394 L HN 0.280 nan 8.230 nan 0.000 0.432 395 R N 0.372 120.767 120.500 -0.174 0.000 2.080 395 R HA -0.204 4.159 4.340 0.038 0.000 0.236 395 R C 1.831 178.148 176.300 0.029 0.000 1.137 395 R CA 2.230 58.322 56.100 -0.012 0.000 0.943 395 R CB -0.328 29.877 30.300 -0.158 0.000 0.846 395 R HN 0.331 nan 8.270 nan 0.000 0.431 396 D N 0.380 120.742 120.400 -0.064 0.000 2.178 396 D HA -0.133 4.530 4.640 0.038 0.000 0.201 396 D C 1.733 177.981 176.300 -0.087 0.000 0.980 396 D CA 1.421 55.408 54.000 -0.020 0.000 0.842 396 D CB -0.268 40.515 40.800 -0.029 0.000 0.948 396 D HN 0.433 nan 8.370 nan 0.000 0.472 397 A N 0.691 123.327 122.820 -0.306 0.000 1.898 397 A HA -0.159 4.184 4.320 0.038 0.000 0.216 397 A C 2.152 179.706 177.584 -0.049 0.000 1.181 397 A CA 1.532 53.424 52.037 -0.242 0.000 0.620 397 A CB -0.486 18.165 19.000 -0.582 0.000 0.819 397 A HN 0.143 nan 8.150 nan 0.000 0.442 398 M N -0.046 119.562 119.600 0.012 0.000 2.117 398 M HA -0.099 4.404 4.480 0.038 0.000 0.262 398 M C 2.298 178.631 176.300 0.055 0.000 1.065 398 M CA 2.116 57.533 55.300 0.194 0.000 1.114 398 M CB -0.523 32.236 32.600 0.266 0.000 1.361 398 M HN 0.415 nan 8.290 nan 0.000 0.408 399 S N -0.415 115.320 115.700 0.058 0.000 2.368 399 S HA -0.052 4.441 4.470 0.038 0.000 0.224 399 S C 2.055 176.706 174.600 0.084 0.000 1.029 399 S CA 1.390 59.642 58.200 0.086 0.000 0.988 399 S CB -0.564 62.742 63.200 0.176 0.000 0.838 399 S HN 0.610 nan 8.310 nan 0.000 0.462 400 A N 0.939 123.819 122.820 0.100 0.000 1.902 400 A HA 0.004 4.347 4.320 0.038 0.000 0.217 400 A C 2.354 179.981 177.584 0.071 0.000 1.181 400 A CA 1.772 53.908 52.037 0.166 0.000 0.623 400 A CB -1.125 18.072 19.000 0.329 0.000 0.818 400 A HN 0.459 nan 8.150 nan 0.000 0.443 401 V N -0.353 119.465 119.914 -0.160 0.000 2.287 401 V HA -0.259 3.884 4.120 0.038 0.000 0.248 401 V C 2.590 178.617 176.094 -0.112 0.000 1.053 401 V CA 2.158 64.330 62.300 -0.214 0.000 1.027 401 V CB -0.784 30.927 31.823 -0.187 0.000 0.646 401 V HN 0.389 nan 8.190 nan 0.000 0.447 402 V N 0.681 120.550 119.914 -0.075 0.000 2.307 402 V HA -0.151 3.992 4.120 0.038 0.000 0.245 402 V C 2.620 178.607 176.094 -0.179 0.000 1.045 402 V CA 2.179 64.416 62.300 -0.106 0.000 1.024 402 V CB -1.378 30.427 31.823 -0.031 0.000 0.651 402 V HN 0.610 nan 8.190 nan 0.000 0.449 403 G N -0.406 108.353 108.800 -0.067 0.000 2.402 403 G HA2 -0.221 3.762 3.960 0.038 0.000 0.216 403 G HA3 -0.221 3.762 3.960 0.038 0.000 0.216 403 G C 1.239 176.070 174.900 -0.115 0.000 1.162 403 G CA 1.004 46.076 45.100 -0.046 0.000 0.777 403 G HN 0.502 nan 8.290 nan 0.000 0.539 404 D N -0.259 120.085 120.400 -0.094 0.000 2.103 404 D HA -0.061 4.601 4.640 0.038 0.000 0.199 404 D C 2.107 178.109 176.300 -0.496 0.000 0.978 404 D CA 1.175 55.097 54.000 -0.129 0.000 0.829 404 D CB -0.521 40.380 40.800 0.167 0.000 0.981 404 D HN 0.379 nan 8.370 nan 0.000 0.464 405 H N 1.030 119.503 119.070 -0.995 0.000 2.387 405 H HA -0.003 4.576 4.556 0.038 0.000 0.299 405 H C 1.451 176.365 175.328 -0.689 0.000 1.090 405 H CA 1.715 56.977 56.048 -1.310 0.000 1.332 405 H CB 0.087 28.945 29.762 -1.506 0.000 1.386 405 H HN 0.010 nan 8.280 nan 0.000 0.516 406 N N -0.963 117.277 118.700 -0.767 0.000 2.432 406 N HA 0.013 4.775 4.740 0.038 0.000 0.174 406 N C 1.279 176.539 175.510 -0.417 0.000 1.037 406 N CA 1.071 53.629 53.050 -0.821 0.000 0.892 406 N CB 1.041 38.544 38.487 -1.641 0.000 1.049 406 N HN 0.269 nan 8.380 nan 0.000 0.442 407 V N -0.209 119.521 119.914 -0.307 0.000 3.134 407 V HA 0.059 4.202 4.120 0.038 0.000 0.222 407 V C 2.217 178.266 176.094 -0.075 0.000 1.247 407 V CA 0.229 62.480 62.300 -0.082 0.000 1.281 407 V CB -0.176 31.672 31.823 0.042 0.000 1.169 407 V HN -0.169 nan 8.190 nan 0.000 0.512 408 V N 0.066 119.938 119.914 -0.071 0.000 2.255 408 V HA -0.298 3.845 4.120 0.038 0.000 0.247 408 V C 2.495 178.555 176.094 -0.056 0.000 1.051 408 V CA 2.601 64.875 62.300 -0.044 0.000 1.018 408 V CB -0.829 30.997 31.823 0.005 0.000 0.641 408 V HN 0.663 nan 8.190 nan 0.000 0.445 409 c N -0.492 118.071 118.600 -0.062 0.000 2.450 409 c HA 0.029 4.621 4.570 0.038 0.000 0.279 409 c C 0.515 174.576 174.090 -0.049 0.000 1.335 409 c CA 0.746 57.070 56.329 -0.009 0.000 1.749 409 c CB -1.682 40.871 42.510 0.071 0.000 1.963 409 c HN 0.459 nan 8.230 nan 0.000 0.501 410 P HA -0.057 nan 4.420 nan 0.000 0.217 410 P C 1.802 179.036 177.300 -0.110 0.000 1.150 410 P CA 1.259 64.285 63.100 -0.125 0.000 0.832 410 P CB -0.145 31.444 31.700 -0.186 0.000 0.787 411 V N 0.368 120.219 119.914 -0.106 0.000 2.287 411 V HA -0.289 3.854 4.120 0.038 0.000 0.248 411 V C 2.457 178.455 176.094 -0.161 0.000 1.053 411 V CA 2.362 64.585 62.300 -0.129 0.000 1.027 411 V CB -1.697 30.048 31.823 -0.130 0.000 0.646 411 V HN 0.101 nan 8.190 nan 0.000 0.447 412 A N -0.529 122.214 122.820 -0.128 0.000 1.908 412 A HA -0.342 4.001 4.320 0.038 0.000 0.218 412 A C 2.198 179.745 177.584 -0.062 0.000 1.181 412 A CA 2.391 54.361 52.037 -0.111 0.000 0.627 412 A CB -0.550 18.441 19.000 -0.015 0.000 0.818 412 A HN 0.631 nan 8.150 nan 0.000 0.445 413 Q N -0.782 118.995 119.800 -0.039 0.000 2.046 413 Q HA -0.134 4.229 4.340 0.038 0.000 0.200 413 Q C 1.907 177.881 176.000 -0.042 0.000 0.975 413 Q CA 1.771 57.565 55.803 -0.015 0.000 0.836 413 Q CB -0.411 28.316 28.738 -0.019 0.000 0.896 413 Q HN 0.494 nan 8.270 nan 0.000 0.428 414 L N 0.453 121.622 121.223 -0.089 0.000 1.989 414 L HA -0.113 4.249 4.340 0.038 0.000 0.211 414 L C 2.259 179.050 176.870 -0.132 0.000 1.071 414 L CA 2.399 57.168 54.840 -0.118 0.000 0.749 414 L CB -1.122 40.854 42.059 -0.138 0.000 0.890 414 L HN 0.327 nan 8.230 nan 0.000 0.431 415 A N -0.596 122.113 122.820 -0.185 0.000 1.908 415 A HA -0.142 4.201 4.320 0.038 0.000 0.218 415 A C 2.346 179.931 177.584 0.002 0.000 1.181 415 A CA 1.800 53.687 52.037 -0.249 0.000 0.627 415 A CB -1.678 16.895 19.000 -0.711 0.000 0.818 415 A HN 0.564 nan 8.150 nan 0.000 0.445 416 G N -0.994 107.867 108.800 0.102 0.000 2.418 416 G HA2 -0.210 3.773 3.960 0.038 0.000 0.217 416 G HA3 -0.210 3.773 3.960 0.038 0.000 0.217 416 G C 1.758 176.731 174.900 0.122 0.000 1.158 416 G CA 0.777 46.012 45.100 0.226 0.000 0.771 416 G HN 0.412 nan 8.290 nan 0.000 0.545 417 R N -0.045 120.489 120.500 0.057 0.000 2.062 417 R HA 0.143 4.506 4.340 0.038 0.000 0.229 417 R C 2.712 179.045 176.300 0.055 0.000 1.128 417 R CA 0.516 56.650 56.100 0.056 0.000 0.960 417 R CB -0.869 29.453 30.300 0.036 0.000 0.855 417 R HN 0.384 nan 8.270 nan 0.000 0.432 418 L N 0.280 121.472 121.223 -0.052 0.000 2.083 418 L HA -0.146 4.217 4.340 0.038 0.000 0.209 418 L C 2.604 179.502 176.870 0.046 0.000 1.083 418 L CA 1.462 56.236 54.840 -0.110 0.000 0.752 418 L CB -0.599 41.318 42.059 -0.237 0.000 0.899 418 L HN 0.156 nan 8.230 nan 0.000 0.433 419 A N -0.232 122.633 122.820 0.076 0.000 1.968 419 A HA -0.003 4.340 4.320 0.038 0.000 0.217 419 A C 2.490 180.126 177.584 0.087 0.000 1.169 419 A CA 1.296 53.390 52.037 0.095 0.000 0.638 419 A CB -0.514 18.577 19.000 0.153 0.000 0.812 419 A HN 0.368 nan 8.150 nan 0.000 0.446 420 A N -0.943 121.934 122.820 0.095 0.000 2.015 420 A HA -0.081 4.262 4.320 0.038 0.000 0.219 420 A C 1.802 179.441 177.584 0.092 0.000 1.163 420 A CA 1.417 53.502 52.037 0.081 0.000 0.646 420 A CB -0.255 18.793 19.000 0.079 0.000 0.806 420 A HN 0.576 nan 8.150 nan 0.000 0.448 421 Q N -1.746 118.138 119.800 0.139 0.000 2.189 421 Q HA 0.385 4.748 4.340 0.038 0.000 0.221 421 Q C 0.850 176.952 176.000 0.170 0.000 0.848 421 Q CA 0.399 56.301 55.803 0.167 0.000 1.007 421 Q CB 0.559 29.452 28.738 0.258 0.000 1.116 421 Q HN 0.760 nan 8.270 nan 0.000 0.481 422 G N -0.206 108.670 108.800 0.126 0.000 2.218 422 G HA2 -0.254 3.729 3.960 0.038 0.000 0.216 422 G HA3 -0.254 3.729 3.960 0.038 0.000 0.216 422 G C 0.322 175.284 174.900 0.104 0.000 0.994 422 G CA -0.282 44.877 45.100 0.098 0.000 0.637 422 G HN 0.517 nan 8.290 nan 0.000 0.505 423 A N 0.570 123.470 122.820 0.134 0.000 2.462 423 A HA 0.618 4.961 4.320 0.038 0.000 0.243 423 A C 0.776 178.388 177.584 0.046 0.000 1.076 423 A CA 0.680 52.775 52.037 0.098 0.000 0.773 423 A CB 0.205 19.246 19.000 0.068 0.000 1.010 423 A HN 0.784 nan 8.150 nan 0.000 0.493 424 R N 1.963 122.486 120.500 0.039 0.000 2.298 424 R HA 0.451 4.814 4.340 0.038 0.000 0.310 424 R C -1.367 174.915 176.300 -0.031 0.000 1.068 424 R CA -0.064 56.024 56.100 -0.020 0.000 0.957 424 R CB 0.284 30.598 30.300 0.024 0.000 1.003 424 R HN 0.463 nan 8.270 nan 0.000 0.454 425 V N 5.895 125.710 119.914 -0.165 0.000 2.588 425 V HA 0.390 4.533 4.120 0.038 0.000 0.304 425 V C -1.235 174.665 176.094 -0.323 0.000 1.042 425 V CA -0.787 61.445 62.300 -0.113 0.000 0.877 425 V CB 1.638 33.466 31.823 0.009 0.000 0.996 425 V HN 0.670 nan 8.190 nan 0.000 0.425 426 Y N 2.179 122.452 120.300 -0.045 0.000 2.376 426 Y HA 0.804 5.377 4.550 0.038 0.000 0.340 426 Y C 0.313 176.296 175.900 0.139 0.000 0.965 426 Y CA -0.562 57.491 58.100 -0.077 0.000 1.078 426 Y CB 2.260 40.318 38.460 -0.669 0.000 1.193 426 Y HN 0.766 nan 8.280 nan 0.000 0.452 427 A N 3.175 126.382 122.820 0.645 0.000 2.401 427 A HA 0.860 5.203 4.320 0.038 0.000 0.310 427 A C -1.891 176.111 177.584 0.697 0.000 1.075 427 A CA -0.722 51.589 52.037 0.456 0.000 0.746 427 A CB 0.980 20.061 19.000 0.136 0.000 1.277 427 A HN 0.745 nan 8.150 nan 0.000 0.425 428 Y N -0.385 120.163 120.300 0.413 0.000 2.562 428 Y HA 0.775 5.348 4.550 0.038 0.000 0.345 428 Y C -1.212 174.843 175.900 0.257 0.000 1.045 428 Y CA -1.544 56.744 58.100 0.313 0.000 1.028 428 Y CB 1.272 39.926 38.460 0.324 0.000 1.297 428 Y HN 0.670 nan 8.280 nan 0.000 0.463 429 I N 4.192 125.032 120.570 0.451 0.000 2.406 429 I HA 0.437 4.630 4.170 0.038 0.000 0.290 429 I C -1.602 174.832 176.117 0.528 0.000 0.999 429 I CA -1.027 60.509 61.300 0.392 0.000 1.124 429 I CB 0.858 39.015 38.000 0.262 0.000 1.289 429 I HN 0.757 nan 8.210 nan 0.000 0.441 430 F N 7.322 127.546 119.950 0.456 0.000 2.411 430 F HA 0.353 4.903 4.527 0.039 0.000 0.355 430 F C 0.576 176.526 175.800 0.250 0.000 1.117 430 F CA 0.112 58.330 58.000 0.362 0.000 1.139 430 F CB 0.757 39.992 39.000 0.392 0.000 1.120 430 F HN 0.537 nan 8.300 nan 0.000 0.493 431 E N 3.232 123.281 120.200 -0.253 0.000 2.714 431 E HA -0.012 4.361 4.350 0.038 0.000 0.219 431 E C -0.899 175.553 176.600 -0.246 0.000 0.979 431 E CA -0.196 56.130 56.400 -0.122 0.000 1.092 431 E CB 0.276 29.950 29.700 -0.043 0.000 1.049 431 E HN 0.529 nan 8.360 nan 0.000 0.487 432 H N 1.465 120.127 119.070 -0.680 0.000 2.552 432 H HA 0.247 4.826 4.556 0.038 0.000 0.311 432 H C -0.425 174.849 175.328 -0.090 0.000 1.071 432 H CA -0.501 55.249 56.048 -0.496 0.000 1.307 432 H CB 0.572 29.818 29.762 -0.860 0.000 1.416 432 H HN -0.135 nan 8.280 nan 0.000 0.464 433 R N 4.149 124.277 120.500 -0.620 0.000 2.234 433 R HA 0.474 4.837 4.340 0.038 0.000 0.324 433 R C -0.584 175.403 176.300 -0.522 0.000 1.054 433 R CA -0.592 55.301 56.100 -0.345 0.000 0.912 433 R CB 0.342 30.538 30.300 -0.173 0.000 1.030 433 R HN 0.811 nan 8.270 nan 0.000 0.455 434 A N 3.141 125.975 122.820 0.023 0.000 2.546 434 A HA 0.014 4.357 4.320 0.038 0.000 0.243 434 A C 1.362 179.040 177.584 0.156 0.000 1.063 434 A CA 0.456 52.712 52.037 0.364 0.000 0.757 434 A CB 0.330 19.690 19.000 0.600 0.000 0.991 434 A HN 1.025 nan 8.150 nan 0.000 0.503 435 S N 1.711 117.546 115.700 0.224 0.000 2.419 435 S HA -0.189 4.303 4.470 0.038 0.000 0.235 435 S C 1.430 176.027 174.600 -0.006 0.000 1.019 435 S CA 1.793 60.049 58.200 0.093 0.000 0.982 435 S CB -0.914 62.360 63.200 0.123 0.000 0.789 435 S HN 1.180 nan 8.310 nan 0.000 0.490 436 T N -0.798 113.723 114.554 -0.054 0.000 3.100 436 T HA 0.302 4.674 4.350 0.038 0.000 0.253 436 T C 0.497 175.129 174.700 -0.115 0.000 1.118 436 T CA -0.444 61.555 62.100 -0.169 0.000 1.058 436 T CB -0.445 68.182 68.868 -0.402 0.000 0.953 436 T HN 0.229 nan 8.240 nan 0.000 0.515 437 L N 4.314 125.505 121.223 -0.054 0.000 2.499 437 L HA 0.254 4.617 4.340 0.038 0.000 0.273 437 L C 1.433 178.244 176.870 -0.098 0.000 1.195 437 L CA 0.592 55.380 54.840 -0.086 0.000 0.882 437 L CB 0.697 42.708 42.059 -0.079 0.000 1.133 437 L HN 0.440 nan 8.230 nan 0.000 0.483 438 T N -0.352 114.104 114.554 -0.163 0.000 3.040 438 T HA 0.095 4.468 4.350 0.038 0.000 0.250 438 T C 0.432 175.135 174.700 0.004 0.000 1.058 438 T CA -0.485 61.542 62.100 -0.122 0.000 0.988 438 T CB -0.309 68.417 68.868 -0.237 0.000 0.993 438 T HN 0.402 nan 8.240 nan 0.000 0.519 439 W N 3.519 124.835 121.300 0.028 0.000 2.112 439 W HA 0.379 5.062 4.660 0.038 0.000 0.349 439 W C -1.964 174.466 176.519 -0.149 0.000 1.289 439 W CA -1.945 55.387 57.345 -0.021 0.000 1.256 439 W CB 0.019 29.386 29.460 -0.154 0.000 1.148 439 W HN -0.003 nan 8.180 nan 0.000 0.590 440 P HA 0.034 nan 4.420 nan 0.000 0.274 440 P C 0.567 177.793 177.300 -0.122 0.000 1.246 440 P CA -0.089 62.966 63.100 -0.076 0.000 0.795 440 P CB 0.820 32.470 31.700 -0.084 0.000 1.006 441 L N 0.258 121.473 121.223 -0.013 0.000 2.081 441 L HA -0.161 4.202 4.340 0.038 0.000 0.212 441 L C 2.606 179.510 176.870 0.057 0.000 1.080 441 L CA 1.617 56.471 54.840 0.023 0.000 0.754 441 L CB -0.909 41.191 42.059 0.067 0.000 0.893 441 L HN 0.613 nan 8.230 nan 0.000 0.433 442 W N -0.517 120.824 121.300 0.068 0.000 2.364 442 W HA -0.212 4.470 4.660 0.037 0.000 0.281 442 W C 1.736 178.306 176.519 0.085 0.000 1.219 442 W CA 0.660 58.050 57.345 0.074 0.000 1.220 442 W CB -0.829 28.679 29.460 0.079 0.000 1.127 442 W HN 0.193 nan 8.180 nan 0.000 0.556 443 M N 1.411 120.722 119.600 -0.480 0.000 2.630 443 M HA 0.088 4.591 4.480 0.038 0.000 0.254 443 M C 1.899 178.123 176.300 -0.126 0.000 1.092 443 M CA 1.471 56.483 55.300 -0.480 0.000 1.087 443 M CB -0.696 31.483 32.600 -0.702 0.000 1.453 443 M HN 0.245 nan 8.290 nan 0.000 0.509 444 G N 0.684 109.465 108.800 -0.033 0.000 2.602 444 G HA2 -0.303 3.680 3.960 0.038 0.000 0.310 444 G HA3 -0.303 3.680 3.960 0.038 0.000 0.310 444 G C -0.036 174.874 174.900 0.017 0.000 1.183 444 G CA 0.074 45.190 45.100 0.027 0.000 0.979 444 G HN 0.282 nan 8.290 nan 0.000 0.545 445 V N 3.388 123.348 119.914 0.077 0.000 2.284 445 V HA 0.517 4.660 4.120 0.038 0.000 0.274 445 V C -2.007 174.196 176.094 0.183 0.000 1.023 445 V CA -0.923 61.468 62.300 0.151 0.000 0.808 445 V CB 1.475 33.439 31.823 0.234 0.000 1.035 445 V HN 0.551 nan 8.190 nan 0.000 0.445 446 P HA 0.227 nan 4.420 nan 0.000 0.279 446 P C -0.212 177.284 177.300 0.327 0.000 1.252 446 P CA -0.564 62.623 63.100 0.146 0.000 0.811 446 P CB 0.392 32.035 31.700 -0.095 0.000 1.035 447 H N 0.730 119.874 119.070 0.124 0.000 3.195 447 H HA 0.157 4.736 4.556 0.038 0.000 0.302 447 H C 1.621 176.930 175.328 -0.031 0.000 0.950 447 H CA 2.563 58.658 56.048 0.078 0.000 1.398 447 H CB -0.650 29.141 29.762 0.047 0.000 1.377 447 H HN 0.780 nan 8.280 nan 0.000 0.572 448 G N 3.325 111.910 108.800 -0.359 0.000 2.234 448 G HA2 -0.311 3.672 3.960 0.038 0.000 0.235 448 G HA3 -0.311 3.672 3.960 0.038 0.000 0.235 448 G C 0.637 175.423 174.900 -0.190 0.000 0.997 448 G CA 0.323 45.163 45.100 -0.433 0.000 0.623 448 G HN 0.643 nan 8.290 nan 0.000 0.514 449 Y N 1.691 122.084 120.300 0.156 0.000 2.495 449 Y HA 0.271 4.844 4.550 0.039 0.000 0.293 449 Y C 2.251 178.261 175.900 0.182 0.000 1.186 449 Y CA 0.911 59.163 58.100 0.253 0.000 1.266 449 Y CB 0.469 39.114 38.460 0.308 0.000 1.101 449 Y HN 0.488 nan 8.280 nan 0.000 0.517 450 E N -0.111 120.035 120.200 -0.090 0.000 2.415 450 E HA -0.023 4.350 4.350 0.038 0.000 0.197 450 E C 1.537 178.037 176.600 -0.166 0.000 1.007 450 E CA 0.492 56.533 56.400 -0.598 0.000 0.890 450 E CB -0.367 28.466 29.700 -1.444 0.000 0.891 450 E HN 0.531 nan 8.360 nan 0.000 0.496 451 I N 1.712 122.272 120.570 -0.017 0.000 2.127 451 I HA -0.278 3.915 4.170 0.038 0.000 0.241 451 I C 2.632 178.759 176.117 0.017 0.000 1.075 451 I CA 1.701 63.036 61.300 0.059 0.000 1.334 451 I CB -0.410 37.691 38.000 0.168 0.000 1.040 451 I HN 0.129 nan 8.210 nan 0.000 0.405 452 E N 0.556 120.713 120.200 -0.071 0.000 2.196 452 E HA -0.303 4.070 4.350 0.038 0.000 0.222 452 E C 2.005 178.358 176.600 -0.412 0.000 1.072 452 E CA 2.425 58.666 56.400 -0.265 0.000 0.902 452 E CB -0.181 29.351 29.700 -0.280 0.000 0.780 452 E HN 0.446 nan 8.360 nan 0.000 0.467 453 F N -0.564 119.282 119.950 -0.173 0.000 2.270 453 F HA -0.056 4.494 4.527 0.039 0.000 0.295 453 F C 2.147 177.718 175.800 -0.382 0.000 1.087 453 F CA 0.157 57.995 58.000 -0.270 0.000 1.365 453 F CB -0.087 38.823 39.000 -0.150 0.000 1.056 453 F HN 0.077 nan 8.300 nan 0.000 0.506 454 I N -0.537 119.872 120.570 -0.270 0.000 2.226 454 I HA -0.278 3.915 4.170 0.038 0.000 0.245 454 I C 2.139 178.002 176.117 -0.423 0.000 1.100 454 I CA 1.658 62.637 61.300 -0.536 0.000 1.374 454 I CB -1.474 36.082 38.000 -0.739 0.000 1.057 454 I HN 0.085 nan 8.210 nan 0.000 0.413 455 F N 1.047 120.812 119.950 -0.307 0.000 2.502 455 F HA 0.122 4.672 4.527 0.038 0.000 0.298 455 F C 1.957 177.602 175.800 -0.259 0.000 1.111 455 F CA 1.042 58.896 58.000 -0.242 0.000 1.445 455 F CB -0.423 38.419 39.000 -0.264 0.000 1.081 455 F HN 0.316 nan 8.300 nan 0.000 0.558 456 G N -0.221 108.411 108.800 -0.279 0.000 2.132 456 G HA2 -0.290 3.692 3.960 0.038 0.000 0.228 456 G HA3 -0.290 3.692 3.960 0.038 0.000 0.228 456 G C 0.971 175.311 174.900 -0.934 0.000 1.000 456 G CA 0.292 45.124 45.100 -0.446 0.000 0.693 456 G HN 0.289 nan 8.290 nan 0.000 0.515 457 L N 0.550 121.233 121.223 -0.901 0.000 2.043 457 L HA 0.000 4.363 4.340 0.038 0.000 0.212 457 L C 0.426 176.784 176.870 -0.853 0.000 1.075 457 L CA 2.874 57.120 54.840 -0.989 0.000 0.752 457 L CB -0.986 40.745 42.059 -0.547 0.000 0.891 457 L HN 0.207 nan 8.230 nan 0.000 0.432 458 P HA -0.155 nan 4.420 nan 0.000 0.224 458 P C 1.551 178.627 177.300 -0.372 0.000 1.142 458 P CA 0.975 63.549 63.100 -0.878 0.000 0.778 458 P CB 0.014 31.157 31.700 -0.929 0.000 0.764 459 L N -1.480 119.479 121.223 -0.441 0.000 2.552 459 L HA -0.009 4.354 4.340 0.038 0.000 0.227 459 L C 0.866 177.695 176.870 -0.069 0.000 1.146 459 L CA 0.960 55.672 54.840 -0.213 0.000 0.858 459 L CB -0.737 41.233 42.059 -0.149 0.000 0.969 459 L HN -0.105 nan 8.230 nan 0.000 0.451 460 D N 0.171 120.500 120.400 -0.119 0.000 2.365 460 D HA 0.099 4.762 4.640 0.038 0.000 0.237 460 D C -1.412 174.924 176.300 0.060 0.000 1.190 460 D CA -2.265 51.776 54.000 0.069 0.000 0.867 460 D CB 1.348 42.212 40.800 0.108 0.000 1.050 460 D HN -0.046 nan 8.370 nan 0.000 0.491 461 P HA -0.164 nan 4.420 nan 0.000 0.218 461 P C 1.007 178.329 177.300 0.037 0.000 1.148 461 P CA 0.846 63.974 63.100 0.047 0.000 0.822 461 P CB 0.081 31.805 31.700 0.039 0.000 0.784 462 S N -1.266 114.455 115.700 0.034 0.000 2.607 462 S HA 0.049 4.542 4.470 0.038 0.000 0.224 462 S C 1.748 176.345 174.600 -0.004 0.000 0.969 462 S CA 0.216 58.424 58.200 0.012 0.000 0.927 462 S CB -1.193 62.014 63.200 0.012 0.000 0.772 462 S HN 0.122 nan 8.310 nan 0.000 0.533 463 L N 1.101 122.332 121.223 0.014 0.000 2.554 463 L HA 0.177 4.540 4.340 0.038 0.000 0.225 463 L C 0.122 176.926 176.870 -0.109 0.000 1.104 463 L CA 0.136 54.956 54.840 -0.034 0.000 0.866 463 L CB -0.854 41.236 42.059 0.052 0.000 1.047 463 L HN 0.432 nan 8.230 nan 0.000 0.468 464 N N -0.657 118.031 118.700 -0.021 0.000 2.678 464 N HA -0.303 4.460 4.740 0.038 0.000 0.268 464 N C -0.639 174.819 175.510 -0.086 0.000 1.010 464 N CA 0.650 53.686 53.050 -0.023 0.000 0.784 464 N CB -2.477 35.989 38.487 -0.036 0.000 0.905 464 N HN 0.276 nan 8.380 nan 0.000 0.552 465 Y N -0.210 120.079 120.300 -0.017 0.000 2.330 465 Y HA 0.240 4.813 4.550 0.038 0.000 0.341 465 Y C 2.014 177.939 175.900 0.042 0.000 1.278 465 Y CA 0.115 58.232 58.100 0.028 0.000 1.453 465 Y CB 0.419 38.894 38.460 0.025 0.000 1.342 465 Y HN 0.423 nan 8.280 nan 0.000 0.590 466 T N -2.852 111.845 114.554 0.238 0.000 2.802 466 T HA 0.017 4.390 4.350 0.038 0.000 0.305 466 T C 1.116 175.894 174.700 0.130 0.000 1.053 466 T CA -0.231 61.956 62.100 0.145 0.000 1.058 466 T CB 0.722 69.664 68.868 0.123 0.000 0.988 466 T HN 0.722 nan 8.240 nan 0.000 0.539 467 T N 1.172 115.774 114.554 0.079 0.000 2.788 467 T HA -0.088 4.285 4.350 0.038 0.000 0.268 467 T C 1.803 176.535 174.700 0.053 0.000 1.044 467 T CA 1.753 63.887 62.100 0.058 0.000 1.139 467 T CB -0.431 68.459 68.868 0.037 0.000 0.867 467 T HN 0.743 nan 8.240 nan 0.000 0.454 468 E N 1.191 121.416 120.200 0.043 0.000 2.153 468 E HA -0.102 4.271 4.350 0.038 0.000 0.194 468 E C 2.174 178.792 176.600 0.029 0.000 0.988 468 E CA 0.983 57.389 56.400 0.011 0.000 0.811 468 E CB -0.170 29.511 29.700 -0.031 0.000 0.746 468 E HN 0.596 nan 8.360 nan 0.000 0.466 469 E N -0.042 120.217 120.200 0.098 0.000 2.158 469 E HA -0.091 4.282 4.350 0.038 0.000 0.191 469 E C 2.059 178.773 176.600 0.191 0.000 0.982 469 E CA 0.447 56.979 56.400 0.220 0.000 0.823 469 E CB 0.006 29.966 29.700 0.433 0.000 0.766 469 E HN 0.099 nan 8.360 nan 0.000 0.468 470 R N 1.118 121.672 120.500 0.091 0.000 2.073 470 R HA -0.128 4.235 4.340 0.038 0.000 0.234 470 R C 2.187 178.495 176.300 0.014 0.000 1.134 470 R CA 1.217 57.324 56.100 0.010 0.000 0.952 470 R CB -0.206 30.103 30.300 0.014 0.000 0.850 470 R HN 0.108 nan 8.270 nan 0.000 0.433 471 I N 0.416 121.011 120.570 0.042 0.000 2.163 471 I HA -0.292 3.901 4.170 0.038 0.000 0.243 471 I C 2.236 178.393 176.117 0.067 0.000 1.085 471 I CA 1.244 62.565 61.300 0.036 0.000 1.347 471 I CB -0.439 37.582 38.000 0.035 0.000 1.044 471 I HN 0.194 nan 8.210 nan 0.000 0.408 472 F N 2.023 121.928 119.950 -0.075 0.000 2.069 472 F HA -0.273 4.277 4.527 0.040 0.000 0.298 472 F C 2.496 178.270 175.800 -0.043 0.000 1.113 472 F CA 1.410 59.353 58.000 -0.095 0.000 1.214 472 F CB -0.742 38.142 39.000 -0.193 0.000 0.978 472 F HN 0.029 nan 8.300 nan 0.000 0.474 473 A N -0.195 122.589 122.820 -0.059 0.000 1.940 473 A HA -0.266 4.076 4.320 0.038 0.000 0.219 473 A C 2.162 179.621 177.584 -0.209 0.000 1.176 473 A CA 1.935 53.869 52.037 -0.173 0.000 0.631 473 A CB -0.915 17.994 19.000 -0.152 0.000 0.814 473 A HN 0.633 nan 8.150 nan 0.000 0.446 474 Q N -0.904 118.811 119.800 -0.141 0.000 2.084 474 Q HA -0.146 4.217 4.340 0.038 0.000 0.202 474 Q C 2.376 178.262 176.000 -0.190 0.000 0.978 474 Q CA 1.487 57.212 55.803 -0.131 0.000 0.844 474 Q CB -0.143 28.548 28.738 -0.079 0.000 0.898 474 Q HN 0.640 nan 8.270 nan 0.000 0.426 475 R N 0.052 120.415 120.500 -0.228 0.000 2.081 475 R HA -0.132 4.230 4.340 0.038 0.000 0.235 475 R C 2.154 178.127 176.300 -0.546 0.000 1.131 475 R CA 1.143 57.003 56.100 -0.400 0.000 0.960 475 R CB -0.233 29.897 30.300 -0.283 0.000 0.856 475 R HN 0.209 nan 8.270 nan 0.000 0.436 476 L N -0.243 120.766 121.223 -0.358 0.000 2.179 476 L HA -0.057 4.306 4.340 0.038 0.000 0.208 476 L C 2.384 179.187 176.870 -0.111 0.000 1.096 476 L CA 1.074 55.800 54.840 -0.190 0.000 0.779 476 L CB -0.205 41.599 42.059 -0.425 0.000 0.922 476 L HN 0.146 nan 8.230 nan 0.000 0.443 477 M N -0.746 118.743 119.600 -0.186 0.000 2.175 477 M HA -0.192 4.311 4.480 0.038 0.000 0.264 477 M C 2.296 178.590 176.300 -0.010 0.000 1.063 477 M CA 1.403 56.634 55.300 -0.116 0.000 1.119 477 M CB -0.206 32.315 32.600 -0.132 0.000 1.377 477 M HN -0.015 nan 8.290 nan 0.000 0.415 478 K N 0.217 120.573 120.400 -0.074 0.000 2.026 478 K HA -0.148 4.195 4.320 0.038 0.000 0.208 478 K C 1.604 178.255 176.600 0.085 0.000 1.048 478 K CA 1.858 58.112 56.287 -0.054 0.000 0.929 478 K CB -0.568 31.833 32.500 -0.164 0.000 0.713 478 K HN 0.227 nan 8.250 nan 0.000 0.439 479 Y N -0.549 119.872 120.300 0.201 0.000 2.053 479 Y HA -0.256 4.316 4.550 0.038 0.000 0.277 479 Y C 2.419 178.456 175.900 0.228 0.000 1.159 479 Y CA 1.238 59.498 58.100 0.266 0.000 1.125 479 Y CB -1.016 37.743 38.460 0.499 0.000 0.969 479 Y HN 0.219 nan 8.280 nan 0.000 0.492 480 W N 0.579 121.949 121.300 0.117 0.000 2.342 480 W HA -0.224 4.458 4.660 0.037 0.000 0.297 480 W C 2.368 178.880 176.519 -0.012 0.000 1.213 480 W CA 2.222 59.566 57.345 -0.001 0.000 1.251 480 W CB -0.494 28.888 29.460 -0.131 0.000 1.136 480 W HN 0.279 nan 8.180 nan 0.000 0.526 481 T N -3.023 111.634 114.554 0.171 0.000 3.009 481 T HA -0.069 4.304 4.350 0.038 0.000 0.258 481 T C 1.426 176.152 174.700 0.042 0.000 1.063 481 T CA 0.833 62.968 62.100 0.059 0.000 1.139 481 T CB -0.557 68.325 68.868 0.022 0.000 0.890 481 T HN -0.126 nan 8.240 nan 0.000 0.471 482 N N 1.126 119.869 118.700 0.071 0.000 2.104 482 N HA -0.028 4.735 4.740 0.038 0.000 0.190 482 N C 1.312 176.812 175.510 -0.016 0.000 1.024 482 N CA 1.091 54.161 53.050 0.034 0.000 0.853 482 N CB -0.662 37.869 38.487 0.073 0.000 1.008 482 N HN 0.508 nan 8.380 nan 0.000 0.424 483 F N 1.299 121.160 119.950 -0.149 0.000 2.146 483 F HA -0.027 4.523 4.527 0.039 0.000 0.298 483 F C 2.131 177.841 175.800 -0.149 0.000 1.096 483 F CA 1.301 59.163 58.000 -0.230 0.000 1.275 483 F CB -0.338 38.432 39.000 -0.382 0.000 1.008 483 F HN 0.029 nan 8.300 nan 0.000 0.480 484 A N 0.421 123.185 122.820 -0.094 0.000 1.933 484 A HA -0.176 4.167 4.320 0.038 0.000 0.218 484 A C 2.343 179.823 177.584 -0.173 0.000 1.175 484 A CA 1.629 53.586 52.037 -0.134 0.000 0.628 484 A CB -0.790 18.188 19.000 -0.036 0.000 0.814 484 A HN 0.447 nan 8.150 nan 0.000 0.444 485 R N -1.084 119.338 120.500 -0.129 0.000 2.092 485 R HA -0.100 4.263 4.340 0.038 0.000 0.231 485 R C 1.673 177.884 176.300 -0.149 0.000 1.119 485 R CA 1.885 57.921 56.100 -0.108 0.000 0.970 485 R CB -0.023 30.240 30.300 -0.063 0.000 0.864 485 R HN 0.707 nan 8.270 nan 0.000 0.440 486 T N -6.457 107.971 114.554 -0.211 0.000 3.186 486 T HA 0.203 4.576 4.350 0.038 0.000 0.292 486 T C 0.879 175.417 174.700 -0.269 0.000 0.915 486 T CA 0.350 62.335 62.100 -0.191 0.000 0.902 486 T CB 1.187 69.984 68.868 -0.118 0.000 1.192 486 T HN 0.270 nan 8.240 nan 0.000 0.563 487 G N 1.469 109.949 108.800 -0.533 0.000 2.160 487 G HA2 -0.153 3.830 3.960 0.038 0.000 0.251 487 G HA3 -0.153 3.830 3.960 0.038 0.000 0.251 487 G C -0.370 174.350 174.900 -0.300 0.000 1.008 487 G CA 0.313 44.992 45.100 -0.701 0.000 0.724 487 G HN 0.889 nan 8.290 nan 0.000 0.514 488 D N -1.049 119.194 120.400 -0.261 0.000 2.764 488 D HA 0.400 5.062 4.640 0.038 0.000 0.227 488 D C -1.559 174.557 176.300 -0.307 0.000 1.347 488 D CA -1.456 52.372 54.000 -0.286 0.000 0.953 488 D CB 1.862 42.602 40.800 -0.100 0.000 1.476 488 D HN -0.018 nan 8.370 nan 0.000 0.585 489 P HA -0.016 nan 4.420 nan 0.000 0.233 489 P C 0.078 177.382 177.300 0.006 0.000 1.167 489 P CA 0.022 62.954 63.100 -0.280 0.000 0.770 489 P CB 0.379 31.652 31.700 -0.711 0.000 0.837 490 N N 1.644 120.299 118.700 -0.075 0.000 2.479 490 N HA 0.002 4.765 4.740 0.038 0.000 0.257 490 N C -0.043 175.531 175.510 0.107 0.000 1.232 490 N CA 0.502 53.612 53.050 0.100 0.000 0.920 490 N CB 0.239 38.773 38.487 0.078 0.000 1.105 490 N HN -0.040 nan 8.380 nan 0.000 0.444 491 D N 1.507 121.994 120.400 0.146 0.000 2.411 491 D HA 0.154 4.817 4.640 0.038 0.000 0.225 491 D C -1.653 174.688 176.300 0.069 0.000 1.156 491 D CA -1.863 52.198 54.000 0.101 0.000 0.874 491 D CB 0.716 41.579 40.800 0.105 0.000 1.034 491 D HN 0.261 nan 8.370 nan 0.000 0.502 492 P HA -0.021 nan 4.420 nan 0.000 0.288 492 P C 0.478 177.797 177.300 0.032 0.000 1.448 492 P CA 0.532 63.652 63.100 0.034 0.000 0.764 492 P CB 0.090 31.801 31.700 0.019 0.000 1.472 493 R N -1.368 119.154 120.500 0.037 0.000 2.658 493 R HA 0.108 4.471 4.340 0.038 0.000 0.223 493 R C 0.292 176.614 176.300 0.037 0.000 0.985 493 R CA -0.005 56.114 56.100 0.032 0.000 1.290 493 R CB -1.088 29.227 30.300 0.025 0.000 1.723 493 R HN 0.148 nan 8.270 nan 0.000 0.527 494 D N 0.940 121.368 120.400 0.047 0.000 2.346 494 D HA 0.449 5.112 4.640 0.038 0.000 0.260 494 D C 0.552 176.888 176.300 0.060 0.000 1.252 494 D CA 0.961 54.993 54.000 0.053 0.000 0.895 494 D CB 1.391 42.231 40.800 0.067 0.000 1.097 494 D HN 0.527 nan 8.370 nan 0.000 0.489 495 S N 2.985 118.715 115.700 0.051 0.000 3.149 495 S HA 0.488 4.981 4.470 0.038 0.000 0.228 495 S C 0.501 175.133 174.600 0.054 0.000 1.393 495 S CA -0.506 57.724 58.200 0.050 0.000 1.224 495 S CB -0.315 62.909 63.200 0.039 0.000 1.112 495 S HN 0.512 nan 8.310 nan 0.000 0.502 496 K N 0.531 120.972 120.400 0.068 0.000 2.371 496 K HA 0.829 5.172 4.320 0.038 0.000 0.251 496 K C 0.041 176.691 176.600 0.083 0.000 0.934 496 K CA -0.632 55.696 56.287 0.070 0.000 0.798 496 K CB 0.834 33.375 32.500 0.070 0.000 1.204 496 K HN 0.291 nan 8.250 nan 0.000 0.427 497 S N 2.083 117.825 115.700 0.070 0.000 2.634 497 S HA 0.547 5.040 4.470 0.038 0.000 0.261 497 S C -1.860 172.786 174.600 0.076 0.000 1.271 497 S CA -0.697 57.546 58.200 0.071 0.000 0.985 497 S CB 0.267 63.498 63.200 0.052 0.000 0.968 497 S HN 0.742 nan 8.310 nan 0.000 0.568 498 P HA 0.179 nan 4.420 nan 0.000 0.270 498 P C -0.607 176.758 177.300 0.108 0.000 1.223 498 P CA -0.308 62.834 63.100 0.070 0.000 0.785 498 P CB 0.328 32.055 31.700 0.045 0.000 0.923 499 Q N 0.290 120.166 119.800 0.127 0.000 2.340 499 Q HA 0.079 4.442 4.340 0.038 0.000 0.249 499 Q C -0.423 175.725 176.000 0.247 0.000 0.957 499 Q CA -0.092 55.819 55.803 0.180 0.000 0.882 499 Q CB 0.611 29.447 28.738 0.163 0.000 1.235 499 Q HN 0.528 nan 8.270 nan 0.000 0.439 500 W N 6.320 127.656 121.300 0.059 0.000 2.605 500 W HA 0.174 4.858 4.660 0.040 0.000 0.327 500 W C -2.398 174.248 176.519 0.212 0.000 1.332 500 W CA -2.153 55.238 57.345 0.078 0.000 1.403 500 W CB -0.182 29.253 29.460 -0.041 0.000 1.452 500 W HN 0.377 nan 8.180 nan 0.000 0.503 501 P HA 0.278 nan 4.420 nan 0.000 0.281 501 P C -2.593 174.913 177.300 0.344 0.000 1.249 501 P CA -1.884 61.446 63.100 0.383 0.000 0.810 501 P CB 0.450 32.283 31.700 0.221 0.000 1.008 502 P HA 0.050 nan 4.420 nan 0.000 0.268 502 P C -0.576 176.704 177.300 -0.033 0.000 1.205 502 P CA 0.077 62.963 63.100 -0.357 0.000 0.771 502 P CB 0.005 31.459 31.700 -0.409 0.000 0.858 503 Y N 3.243 123.490 120.300 -0.088 0.000 2.544 503 Y HA 0.225 4.797 4.550 0.037 0.000 0.330 503 Y C 0.586 176.472 175.900 -0.022 0.000 1.136 503 Y CA 0.916 59.030 58.100 0.023 0.000 1.417 503 Y CB 0.148 38.643 38.460 0.059 0.000 1.229 503 Y HN 0.394 nan 8.280 nan 0.000 0.532 504 T N 0.228 114.534 114.554 -0.413 0.000 2.916 504 T HA 0.249 4.622 4.350 0.038 0.000 0.292 504 T C 0.903 175.354 174.700 -0.413 0.000 1.055 504 T CA -0.226 61.716 62.100 -0.263 0.000 1.009 504 T CB 1.363 70.144 68.868 -0.145 0.000 1.118 504 T HN 0.638 nan 8.240 nan 0.000 0.497 505 T N -0.832 113.626 114.554 -0.161 0.000 2.915 505 T HA 0.058 4.431 4.350 0.038 0.000 0.269 505 T C 2.106 176.748 174.700 -0.097 0.000 1.071 505 T CA 0.856 62.901 62.100 -0.092 0.000 1.132 505 T CB -0.657 68.222 68.868 0.018 0.000 0.878 505 T HN 0.834 nan 8.240 nan 0.000 0.479 506 A N 2.012 124.778 122.820 -0.090 0.000 1.835 506 A HA 0.572 4.915 4.320 0.038 0.000 0.213 506 A C 2.813 180.348 177.584 -0.082 0.000 1.210 506 A CA 1.324 53.324 52.037 -0.062 0.000 0.605 506 A CB -1.432 17.546 19.000 -0.036 0.000 0.860 506 A HN 0.675 nan 8.150 nan 0.000 0.447 507 A N -1.469 121.288 122.820 -0.105 0.000 2.015 507 A HA -0.012 4.330 4.320 0.038 0.000 0.219 507 A C 1.106 178.616 177.584 -0.123 0.000 1.163 507 A CA 1.352 53.336 52.037 -0.089 0.000 0.646 507 A CB -0.613 18.346 19.000 -0.069 0.000 0.806 507 A HN 0.665 nan 8.150 nan 0.000 0.448 508 Q N -0.809 118.810 119.800 -0.302 0.000 2.434 508 Q HA -0.230 4.133 4.340 0.038 0.000 0.299 508 Q C -0.653 175.327 176.000 -0.034 0.000 1.286 508 Q CA 0.716 56.263 55.803 -0.427 0.000 0.872 508 Q CB -1.813 26.873 28.738 -0.086 0.000 1.193 508 Q HN 0.849 nan 8.270 nan 0.000 0.466 509 Q N 0.500 120.277 119.800 -0.039 0.000 2.286 509 Q HA 0.446 4.809 4.340 0.038 0.000 0.257 509 Q C -0.377 175.855 176.000 0.388 0.000 0.941 509 Q CA 0.012 55.888 55.803 0.121 0.000 0.912 509 Q CB 0.514 29.291 28.738 0.066 0.000 1.192 509 Q HN 0.364 nan 8.270 nan 0.000 0.410 510 Y N -1.122 119.325 120.300 0.244 0.000 2.677 510 Y HA 0.765 5.337 4.550 0.037 0.000 0.334 510 Y C -1.055 174.885 175.900 0.066 0.000 1.154 510 Y CA -1.525 56.732 58.100 0.262 0.000 1.070 510 Y CB 0.636 39.258 38.460 0.270 0.000 1.294 510 Y HN 0.326 nan 8.280 nan 0.000 0.475 511 V N -0.512 119.409 119.914 0.011 0.000 2.864 511 V HA 0.855 4.998 4.120 0.038 0.000 0.314 511 V C -0.410 175.670 176.094 -0.022 0.000 1.073 511 V CA -0.616 61.528 62.300 -0.261 0.000 0.956 511 V CB 1.336 32.709 31.823 -0.750 0.000 1.023 511 V HN 1.176 nan 8.190 nan 0.000 0.435 512 S N 3.408 119.077 115.700 -0.050 0.000 2.480 512 S HA 0.733 5.226 4.470 0.038 0.000 0.286 512 S C -0.528 174.064 174.600 -0.013 0.000 1.180 512 S CA -0.698 57.532 58.200 0.051 0.000 1.075 512 S CB 0.796 64.023 63.200 0.046 0.000 0.996 512 S HN 0.769 nan 8.310 nan 0.000 0.487 513 L N 4.271 125.528 121.223 0.056 0.000 2.255 513 L HA 0.497 4.860 4.340 0.038 0.000 0.289 513 L C 0.004 176.832 176.870 -0.070 0.000 1.046 513 L CA -0.373 54.528 54.840 0.101 0.000 0.816 513 L CB -0.187 42.018 42.059 0.243 0.000 1.197 513 L HN 0.940 nan 8.230 nan 0.000 0.427 514 N N 2.164 120.772 118.700 -0.154 0.000 3.522 514 N HA 0.361 5.124 4.740 0.038 0.000 0.328 514 N C 0.228 175.269 175.510 -0.781 0.000 1.623 514 N CA -0.953 51.737 53.050 -0.600 0.000 0.812 514 N CB 0.657 38.937 38.487 -0.345 0.000 2.008 514 N HN 0.165 nan 8.380 nan 0.000 0.601 515 L N -0.566 120.220 121.223 -0.728 0.000 2.109 515 L HA 0.118 4.481 4.340 0.038 0.000 0.207 515 L C 0.663 177.381 176.870 -0.253 0.000 1.086 515 L CA 0.955 55.453 54.840 -0.570 0.000 0.760 515 L CB -0.444 41.349 42.059 -0.443 0.000 0.910 515 L HN 0.432 nan 8.230 nan 0.000 0.437 516 K N 0.364 120.655 120.400 -0.182 0.000 2.336 516 K HA 0.116 4.459 4.320 0.038 0.000 0.262 516 K C -2.101 174.472 176.600 -0.044 0.000 0.992 516 K CA -1.549 54.685 56.287 -0.090 0.000 0.927 516 K CB -0.221 32.236 32.500 -0.073 0.000 0.956 516 K HN -0.129 nan 8.250 nan 0.000 0.495 517 P HA -0.024 nan 4.420 nan 0.000 0.271 517 P C -0.357 176.954 177.300 0.019 0.000 1.233 517 P CA -0.190 62.928 63.100 0.031 0.000 0.789 517 P CB 0.374 32.093 31.700 0.031 0.000 0.951 518 L N 1.035 122.283 121.223 0.042 0.000 2.601 518 L HA -0.060 4.302 4.340 0.038 0.000 0.277 518 L C 1.094 177.938 176.870 -0.043 0.000 1.219 518 L CA 0.829 55.656 54.840 -0.021 0.000 0.915 518 L CB -0.336 41.707 42.059 -0.027 0.000 1.160 518 L HN 0.473 nan 8.230 nan 0.000 0.494 519 E N 3.378 123.531 120.200 -0.080 0.000 2.176 519 E HA 0.354 4.727 4.350 0.038 0.000 0.267 519 E C -1.281 175.237 176.600 -0.136 0.000 0.893 519 E CA -0.802 55.550 56.400 -0.081 0.000 0.761 519 E CB 1.788 31.448 29.700 -0.065 0.000 1.133 519 E HN 0.302 nan 8.360 nan 0.000 0.409 520 V N 5.492 125.333 119.914 -0.120 0.000 2.432 520 V HA 0.329 4.472 4.120 0.038 0.000 0.271 520 V C 0.417 176.380 176.094 -0.219 0.000 1.046 520 V CA -0.113 62.091 62.300 -0.159 0.000 0.945 520 V CB 0.733 32.514 31.823 -0.070 0.000 0.992 520 V HN 0.682 nan 8.190 nan 0.000 0.471 521 R N 3.976 124.215 120.500 -0.434 0.000 2.856 521 R HA 0.769 5.132 4.340 0.038 0.000 0.258 521 R C -0.686 175.353 176.300 -0.435 0.000 1.066 521 R CA -1.031 54.777 56.100 -0.486 0.000 1.045 521 R CB 2.127 32.015 30.300 -0.687 0.000 1.178 521 R HN 0.581 nan 8.270 nan 0.000 0.499 522 R N -0.226 120.188 120.500 -0.143 0.000 2.561 522 R HA 0.458 4.821 4.340 0.038 0.000 0.297 522 R C -0.956 175.492 176.300 0.246 0.000 0.969 522 R CA -0.406 55.726 56.100 0.054 0.000 0.879 522 R CB 2.246 32.561 30.300 0.026 0.000 1.178 522 R HN 0.893 nan 8.270 nan 0.000 0.445 523 G N 2.384 111.412 108.800 0.381 0.000 3.445 523 G HA2 -0.220 3.763 3.960 0.038 0.000 0.680 523 G HA3 -0.220 3.763 3.960 0.038 0.000 0.680 523 G C -1.025 174.121 174.900 0.409 0.000 0.972 523 G CA -0.900 44.403 45.100 0.338 0.000 0.798 523 G HN 0.480 nan 8.290 nan 0.000 0.461 524 L N 4.073 125.439 121.223 0.238 0.000 2.358 524 L HA 0.531 4.894 4.340 0.038 0.000 0.274 524 L C 1.567 178.465 176.870 0.047 0.000 1.136 524 L CA -0.338 54.465 54.840 -0.063 0.000 0.970 524 L CB -0.215 41.708 42.059 -0.226 0.000 1.314 524 L HN 0.694 nan 8.230 nan 0.000 0.427 525 R N 2.324 122.892 120.500 0.113 0.000 3.333 525 R HA -0.290 4.073 4.340 0.038 0.000 0.256 525 R C 1.265 177.667 176.300 0.170 0.000 1.010 525 R CA 0.544 56.734 56.100 0.150 0.000 0.680 525 R CB -2.108 28.285 30.300 0.155 0.000 1.102 525 R HN 0.749 nan 8.270 nan 0.000 0.440 526 A N 0.826 123.746 122.820 0.167 0.000 1.883 526 A HA -0.249 4.093 4.320 0.038 0.000 0.217 526 A C 2.122 179.804 177.584 0.163 0.000 1.186 526 A CA 1.630 53.765 52.037 0.163 0.000 0.624 526 A CB -0.197 18.895 19.000 0.152 0.000 0.822 526 A HN 0.595 nan 8.150 nan 0.000 0.444 527 Q N -1.083 118.811 119.800 0.157 0.000 2.061 527 Q HA -0.150 4.213 4.340 0.038 0.000 0.204 527 Q C 2.278 178.412 176.000 0.223 0.000 0.984 527 Q CA 2.110 58.012 55.803 0.164 0.000 0.846 527 Q CB -0.416 28.403 28.738 0.135 0.000 0.902 527 Q HN 0.691 nan 8.270 nan 0.000 0.421 528 T N 0.189 114.899 114.554 0.261 0.000 2.737 528 T HA -0.155 4.218 4.350 0.038 0.000 0.265 528 T C 2.050 176.982 174.700 0.386 0.000 1.038 528 T CA 1.231 63.530 62.100 0.332 0.000 1.144 528 T CB -0.369 68.723 68.868 0.373 0.000 0.866 528 T HN 0.376 nan 8.240 nan 0.000 0.434 529 c N 1.782 120.583 118.600 0.334 0.000 2.422 529 c HA 0.106 4.699 4.570 0.038 0.000 0.279 529 c C 3.195 177.439 174.090 0.257 0.000 1.305 529 c CA 0.128 56.649 56.329 0.320 0.000 1.757 529 c CB -1.514 41.125 42.510 0.215 0.000 1.962 529 c HN 0.649 nan 8.230 nan 0.000 0.499 530 A N 0.308 123.252 122.820 0.206 0.000 1.917 530 A HA -0.242 4.101 4.320 0.038 0.000 0.219 530 A C 1.910 179.593 177.584 0.165 0.000 1.182 530 A CA 1.936 54.072 52.037 0.165 0.000 0.633 530 A CB -0.876 18.210 19.000 0.143 0.000 0.819 530 A HN 0.554 nan 8.150 nan 0.000 0.448 531 F N -0.871 119.064 119.950 -0.025 0.000 2.069 531 F HA -0.199 4.353 4.527 0.042 0.000 0.298 531 F C 1.996 177.729 175.800 -0.111 0.000 1.113 531 F CA 1.964 59.857 58.000 -0.179 0.000 1.214 531 F CB -0.568 38.033 39.000 -0.664 0.000 0.978 531 F HN 0.391 nan 8.300 nan 0.000 0.474 532 W N 0.482 121.779 121.300 -0.004 0.000 2.409 532 W HA -0.114 4.568 4.660 0.037 0.000 0.299 532 W C 2.214 178.684 176.519 -0.081 0.000 1.203 532 W CA 0.988 58.285 57.345 -0.081 0.000 1.298 532 W CB -0.591 28.939 29.460 0.117 0.000 1.127 532 W HN -0.043 nan 8.180 nan 0.000 0.528 533 N N -0.368 118.450 118.700 0.197 0.000 2.395 533 N HA 0.030 4.793 4.740 0.038 0.000 0.175 533 N C 1.461 177.001 175.510 0.049 0.000 1.029 533 N CA 0.922 54.038 53.050 0.111 0.000 0.897 533 N CB -0.142 38.412 38.487 0.111 0.000 0.991 533 N HN 0.236 nan 8.380 nan 0.000 0.441 534 R N -1.627 118.900 120.500 0.045 0.000 2.276 534 R HA 0.236 4.599 4.340 0.038 0.000 0.195 534 R C 1.260 177.583 176.300 0.039 0.000 0.908 534 R CA -0.063 56.063 56.100 0.044 0.000 1.083 534 R CB 0.035 30.383 30.300 0.080 0.000 1.182 534 R HN 0.039 nan 8.270 nan 0.000 0.608 535 F N 0.905 120.758 119.950 -0.161 0.000 2.222 535 F HA 0.114 4.665 4.527 0.039 0.000 0.285 535 F C 1.767 177.392 175.800 -0.291 0.000 1.068 535 F CA 0.615 58.492 58.000 -0.205 0.000 1.265 535 F CB -0.344 38.536 39.000 -0.199 0.000 1.087 535 F HN -0.151 nan 8.300 nan 0.000 0.511 536 L N 1.278 122.120 121.223 -0.635 0.000 2.043 536 L HA -0.112 4.251 4.340 0.038 0.000 0.212 536 L C -0.936 175.656 176.870 -0.462 0.000 1.075 536 L CA 2.075 56.474 54.840 -0.735 0.000 0.752 536 L CB -1.565 40.023 42.059 -0.785 0.000 0.891 536 L HN 0.061 nan 8.230 nan 0.000 0.432 537 P HA -0.181 nan 4.420 nan 0.000 0.216 537 P C 1.215 178.380 177.300 -0.224 0.000 1.153 537 P CA 1.474 64.464 63.100 -0.184 0.000 0.848 537 P CB -0.085 31.554 31.700 -0.101 0.000 0.787 538 K N -1.053 119.186 120.400 -0.267 0.000 2.442 538 K HA -0.108 4.235 4.320 0.038 0.000 0.199 538 K C 1.719 178.123 176.600 -0.326 0.000 1.044 538 K CA 0.666 56.806 56.287 -0.244 0.000 0.941 538 K CB -0.534 31.857 32.500 -0.181 0.000 0.759 538 K HN 0.106 nan 8.250 nan 0.000 0.472 539 L N 0.608 121.539 121.223 -0.486 0.000 2.249 539 L HA 0.107 4.470 4.340 0.038 0.000 0.207 539 L C 0.685 177.407 176.870 -0.246 0.000 1.090 539 L CA 1.028 55.597 54.840 -0.451 0.000 0.802 539 L CB 0.109 41.760 42.059 -0.680 0.000 0.947 539 L HN -0.046 nan 8.230 nan 0.000 0.453 540 L N 0.000 121.098 121.223 -0.209 0.000 2.949 540 L HA 0.000 4.363 4.340 0.038 0.000 0.249 540 L CA 0.000 54.763 54.840 -0.129 0.000 0.813 540 L CB 0.000 41.994 42.059 -0.108 0.000 0.961 540 L HN 0.000 nan 8.230 nan 0.000 0.502