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 2xuk_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 RFLPKLLSA 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 0.000 176.623 176.600 0.039 0.000 1.382 4 E CA 0.000 56.418 56.400 0.029 0.000 0.976 4 E CB 0.000 29.717 29.700 0.029 0.000 0.812 5 D N 6.096 126.526 120.400 0.051 0.000 2.339 5 D HA 0.215 4.879 4.640 0.040 0.000 0.241 5 D C -1.461 174.879 176.300 0.068 0.000 1.183 5 D CA -2.192 51.850 54.000 0.071 0.000 0.859 5 D CB 1.489 42.354 40.800 0.109 0.000 1.067 5 D HN 0.250 nan 8.370 nan 0.000 0.484 6 P HA -0.159 nan 4.420 nan 0.000 0.219 6 P C 0.998 178.318 177.300 0.033 0.000 1.146 6 P CA 0.811 63.932 63.100 0.034 0.000 0.808 6 P CB 0.488 32.197 31.700 0.014 0.000 0.779 7 Q N -0.766 119.042 119.800 0.013 0.000 2.488 7 Q HA 0.062 4.426 4.340 0.040 0.000 0.211 7 Q C 1.835 177.908 176.000 0.122 0.000 0.967 7 Q CA 0.723 56.515 55.803 -0.017 0.000 0.926 7 Q CB -0.150 28.437 28.738 -0.252 0.000 0.992 7 Q HN 0.431 nan 8.270 nan 0.000 0.506 8 L N -0.381 120.934 121.223 0.153 0.000 2.693 8 L HA 0.245 4.609 4.340 0.040 0.000 0.235 8 L C 0.316 177.360 176.870 0.289 0.000 1.127 8 L CA -0.074 54.881 54.840 0.191 0.000 0.914 8 L CB 0.523 42.623 42.059 0.068 0.000 1.193 8 L HN 0.001 nan 8.230 nan 0.000 0.502 9 L N 0.913 122.265 121.223 0.215 0.000 2.282 9 L HA 0.511 4.875 4.340 0.040 0.000 0.288 9 L C -0.850 176.086 176.870 0.111 0.000 1.033 9 L CA -0.386 54.560 54.840 0.177 0.000 0.807 9 L CB 1.948 44.064 42.059 0.096 0.000 1.209 9 L HN -0.213 nan 8.230 nan 0.000 0.423 10 V N 3.795 123.749 119.914 0.067 0.000 2.841 10 V HA 0.468 4.612 4.120 0.040 0.000 0.310 10 V C -0.489 175.535 176.094 -0.117 0.000 1.090 10 V CA -0.835 61.358 62.300 -0.178 0.000 0.930 10 V CB 2.408 33.861 31.823 -0.617 0.000 1.014 10 V HN 0.686 nan 8.190 nan 0.000 0.425 11 R N 2.916 123.311 120.500 -0.175 0.000 2.275 11 R HA 0.686 5.050 4.340 0.040 0.000 0.326 11 R C -0.568 175.631 176.300 -0.168 0.000 0.973 11 R CA -0.350 55.683 56.100 -0.113 0.000 0.854 11 R CB 1.312 31.553 30.300 -0.098 0.000 1.156 11 R HN 0.735 nan 8.270 nan 0.000 0.487 12 V N 1.739 121.604 119.914 -0.083 0.000 3.369 12 V HA 0.388 4.532 4.120 0.040 0.000 0.309 12 V C 1.268 177.277 176.094 -0.141 0.000 1.069 12 V CA -0.651 61.594 62.300 -0.092 0.000 1.042 12 V CB 1.365 33.273 31.823 0.142 0.000 1.192 12 V HN 0.809 nan 8.190 nan 0.000 0.447 13 R N 0.982 121.382 120.500 -0.166 0.000 2.193 13 R HA -0.014 4.350 4.340 0.040 0.000 0.229 13 R C 1.811 177.976 176.300 -0.225 0.000 1.110 13 R CA 1.391 57.388 56.100 -0.172 0.000 0.988 13 R CB -0.492 29.718 30.300 -0.151 0.000 0.871 13 R HN 0.977 nan 8.270 nan 0.000 0.458 14 G N -0.598 108.007 108.800 -0.325 0.000 3.233 14 G HA2 0.384 4.369 3.960 0.040 0.000 0.234 14 G HA3 0.384 4.369 3.960 0.040 0.000 0.234 14 G C 0.294 174.345 174.900 -1.415 0.000 1.137 14 G CA 0.403 45.100 45.100 -0.671 0.000 0.763 14 G HN 0.519 nan 8.290 nan 0.000 0.549 15 G N -0.687 107.555 108.800 -0.930 0.000 2.270 15 G HA2 0.097 4.081 3.960 0.040 0.000 0.268 15 G HA3 0.097 4.081 3.960 0.040 0.000 0.268 15 G C -1.303 173.511 174.900 -0.143 0.000 1.312 15 G CA -0.805 43.823 45.100 -0.787 0.000 1.050 15 G HN 0.378 nan 8.290 nan 0.000 0.474 16 Q N -0.429 119.493 119.800 0.204 0.000 2.282 16 Q HA 0.755 5.119 4.340 0.040 0.000 0.260 16 Q C -0.527 175.764 176.000 0.487 0.000 0.964 16 Q CA -0.596 55.386 55.803 0.299 0.000 0.880 16 Q CB 1.430 30.271 28.738 0.170 0.000 1.286 16 Q HN 0.510 nan 8.270 nan 0.000 0.445 17 L N 2.419 123.853 121.223 0.351 0.000 2.342 17 L HA 0.641 5.005 4.340 0.040 0.000 0.271 17 L C -0.424 176.633 176.870 0.312 0.000 1.008 17 L CA -0.835 54.217 54.840 0.353 0.000 0.818 17 L CB 1.988 44.298 42.059 0.419 0.000 1.296 17 L HN 0.481 nan 8.230 nan 0.000 0.427 18 R N 0.760 121.413 120.500 0.254 0.000 2.393 18 R HA 0.586 4.950 4.340 0.040 0.000 0.315 18 R C -0.285 176.084 176.300 0.116 0.000 0.952 18 R CA -0.359 55.855 56.100 0.190 0.000 0.842 18 R CB 1.721 32.074 30.300 0.088 0.000 1.163 18 R HN 0.830 nan 8.270 nan 0.000 0.450 19 G N 3.262 112.043 108.800 -0.031 0.000 2.537 19 G HA2 0.428 4.412 3.960 0.040 0.000 0.297 19 G HA3 0.428 4.412 3.960 0.040 0.000 0.297 19 G C -0.885 173.796 174.900 -0.365 0.000 1.310 19 G CA -0.700 44.050 45.100 -0.584 0.000 1.027 19 G HN 0.601 nan 8.290 nan 0.000 0.505 20 I N -0.925 119.396 120.570 -0.414 0.000 2.569 20 I HA 0.555 4.749 4.170 0.040 0.000 0.296 20 I C 0.117 176.098 176.117 -0.227 0.000 1.028 20 I CA -1.234 59.914 61.300 -0.252 0.000 1.082 20 I CB 1.922 39.788 38.000 -0.223 0.000 1.264 20 I HN 0.497 nan 8.210 nan 0.000 0.429 21 R N 7.455 127.864 120.500 -0.152 0.000 2.298 21 R HA 0.518 4.882 4.340 0.040 0.000 0.310 21 R C -1.682 174.523 176.300 -0.159 0.000 1.068 21 R CA -0.245 55.758 56.100 -0.161 0.000 0.957 21 R CB 0.609 30.773 30.300 -0.226 0.000 1.003 21 R HN 0.683 nan 8.270 nan 0.000 0.454 22 L N 3.693 124.836 121.223 -0.133 0.000 2.330 22 L HA 0.446 4.810 4.340 0.040 0.000 0.271 22 L C -0.198 176.604 176.870 -0.114 0.000 1.013 22 L CA -1.009 53.771 54.840 -0.101 0.000 0.816 22 L CB 1.906 43.942 42.059 -0.039 0.000 1.287 22 L HN 0.609 nan 8.230 nan 0.000 0.435 23 K N 1.956 122.296 120.400 -0.101 0.000 2.253 23 K HA 0.643 4.987 4.320 0.040 0.000 0.277 23 K C -0.890 175.652 176.600 -0.097 0.000 1.053 23 K CA -0.335 55.896 56.287 -0.094 0.000 0.892 23 K CB 1.327 33.783 32.500 -0.073 0.000 1.102 23 K HN 0.685 nan 8.250 nan 0.000 0.469 24 A N 5.392 128.158 122.820 -0.090 0.000 2.340 24 A HA 0.470 4.814 4.320 0.040 0.000 0.331 24 A C -1.764 175.823 177.584 0.006 0.000 1.140 24 A CA -1.775 50.209 52.037 -0.088 0.000 0.801 24 A CB 0.769 19.698 19.000 -0.120 0.000 1.234 24 A HN 0.713 nan 8.150 nan 0.000 0.469 25 P HA -0.209 nan 4.420 nan 0.000 0.218 25 P C 1.246 178.575 177.300 0.048 0.000 1.152 25 P CA 2.364 65.512 63.100 0.079 0.000 0.857 25 P CB 0.105 31.880 31.700 0.125 0.000 0.787 26 G N -1.682 107.149 108.800 0.052 0.000 2.887 26 G HA2 0.429 4.413 3.960 0.040 0.000 0.211 26 G HA3 0.429 4.413 3.960 0.040 0.000 0.211 26 G C 0.589 175.505 174.900 0.026 0.000 1.152 26 G CA 0.596 45.719 45.100 0.038 0.000 0.769 26 G HN 0.699 nan 8.290 nan 0.000 0.541 27 G N -0.662 108.146 108.800 0.014 0.000 2.313 27 G HA2 0.440 4.424 3.960 0.040 0.000 0.296 27 G HA3 0.440 4.424 3.960 0.040 0.000 0.296 27 G C -3.351 171.531 174.900 -0.029 0.000 1.356 27 G CA -0.729 44.371 45.100 0.001 0.000 0.833 27 G HN 0.001 nan 8.290 nan 0.000 0.552 28 P HA 0.504 nan 4.420 nan 0.000 0.272 28 P C -0.183 177.101 177.300 -0.027 0.000 1.240 28 P CA -0.178 62.825 63.100 -0.162 0.000 0.791 28 P CB 1.502 32.922 31.700 -0.467 0.000 0.978 29 V N -2.714 117.187 119.914 -0.021 0.000 2.971 29 V HA 0.533 4.677 4.120 0.040 0.000 0.309 29 V C -0.368 175.820 176.094 0.157 0.000 1.130 29 V CA -0.908 61.476 62.300 0.141 0.000 0.964 29 V CB 1.669 33.576 31.823 0.140 0.000 1.029 29 V HN 0.422 nan 8.190 nan 0.000 0.427 30 S N 1.964 117.827 115.700 0.272 0.000 2.513 30 S HA 0.820 5.314 4.470 0.040 0.000 0.276 30 S C 0.136 174.732 174.600 -0.007 0.000 1.254 30 S CA 0.091 58.382 58.200 0.152 0.000 1.053 30 S CB 1.216 64.607 63.200 0.318 0.000 0.958 30 S HN 1.597 nan 8.310 nan 0.000 0.491 31 A N 2.849 125.461 122.820 -0.346 0.000 2.343 31 A HA 0.767 5.111 4.320 0.040 0.000 0.308 31 A C -1.167 175.966 177.584 -0.751 0.000 1.092 31 A CA -0.661 51.082 52.037 -0.490 0.000 0.751 31 A CB 0.440 19.154 19.000 -0.477 0.000 1.203 31 A HN 0.670 nan 8.150 nan 0.000 0.452 32 F N 3.002 122.768 119.950 -0.308 0.000 2.311 32 F HA 0.468 5.019 4.527 0.040 0.000 0.371 32 F C -0.188 175.403 175.800 -0.349 0.000 1.083 32 F CA -0.380 57.505 58.000 -0.192 0.000 1.113 32 F CB 1.090 40.117 39.000 0.045 0.000 1.349 32 F HN 0.342 nan 8.300 nan 0.000 0.470 33 L N 2.198 123.240 121.223 -0.301 0.000 2.309 33 L HA 0.730 5.095 4.340 0.040 0.000 0.282 33 L C 0.897 177.648 176.870 -0.198 0.000 1.036 33 L CA -0.973 53.628 54.840 -0.399 0.000 0.806 33 L CB 1.582 43.184 42.059 -0.762 0.000 1.220 33 L HN 0.809 nan 8.230 nan 0.000 0.429 34 G N 3.171 111.920 108.800 -0.084 0.000 2.248 34 G HA2 -0.243 3.742 3.960 0.040 0.000 0.263 34 G HA3 -0.243 3.742 3.960 0.040 0.000 0.263 34 G C -0.220 174.725 174.900 0.075 0.000 1.082 34 G CA -0.440 44.641 45.100 -0.032 0.000 0.863 34 G HN 0.489 nan 8.290 nan 0.000 0.495 35 I N 2.177 122.795 120.570 0.079 0.000 2.396 35 I HA 0.247 4.441 4.170 0.040 0.000 0.289 35 I C -1.376 174.787 176.117 0.077 0.000 1.056 35 I CA -2.169 59.156 61.300 0.042 0.000 1.365 35 I CB 0.989 38.955 38.000 -0.057 0.000 1.407 35 I HN -0.016 nan 8.210 nan 0.000 0.509 36 P HA 0.008 nan 4.420 nan 0.000 0.271 36 P C -0.201 177.027 177.300 -0.119 0.000 1.220 36 P CA 0.118 63.056 63.100 -0.269 0.000 0.768 36 P CB 0.470 32.026 31.700 -0.241 0.000 0.848 37 F N 0.989 120.771 119.950 -0.279 0.000 2.784 37 F HA 0.697 5.248 4.527 0.040 0.000 0.323 37 F C 0.104 175.899 175.800 -0.007 0.000 1.085 37 F CA -0.638 57.278 58.000 -0.139 0.000 1.196 37 F CB 0.139 38.946 39.000 -0.322 0.000 1.053 37 F HN 0.313 nan 8.300 nan 0.000 0.578 38 A N 0.465 122.943 122.820 -0.570 0.000 2.498 38 A HA 0.577 4.921 4.320 0.040 0.000 0.298 38 A C -0.671 176.732 177.584 -0.302 0.000 1.075 38 A CA -0.762 51.074 52.037 -0.335 0.000 0.714 38 A CB 0.980 19.735 19.000 -0.408 0.000 1.299 38 A HN 0.098 nan 8.150 nan 0.000 0.407 39 E N 1.360 121.478 120.200 -0.138 0.000 2.452 39 E HA 0.144 4.518 4.350 0.040 0.000 0.261 39 E C -2.276 174.229 176.600 -0.159 0.000 0.987 39 E CA -1.085 55.251 56.400 -0.106 0.000 0.926 39 E CB -0.129 29.548 29.700 -0.038 0.000 0.934 39 E HN 0.231 nan 8.360 nan 0.000 0.452 40 P HA 0.013 nan 4.420 nan 0.000 0.261 40 P C -2.174 175.069 177.300 -0.094 0.000 1.203 40 P CA -0.828 62.194 63.100 -0.131 0.000 0.767 40 P CB -0.121 31.538 31.700 -0.069 0.000 0.785 41 P HA -0.009 nan 4.420 nan 0.000 0.232 41 P C -0.200 177.051 177.300 -0.081 0.000 1.738 41 P CA 0.140 63.196 63.100 -0.074 0.000 0.948 41 P CB -0.193 31.469 31.700 -0.064 0.000 1.943 42 V N -2.620 117.251 119.914 -0.073 0.000 2.850 42 V HA 0.874 5.018 4.120 0.040 0.000 0.315 42 V C 1.028 177.083 176.094 -0.066 0.000 1.064 42 V CA 0.184 62.437 62.300 -0.078 0.000 0.979 42 V CB 0.774 32.558 31.823 -0.064 0.000 1.039 42 V HN 0.545 nan 8.190 nan 0.000 0.452 43 G N 2.857 111.614 108.800 -0.072 0.000 2.574 43 G HA2 -0.365 3.619 3.960 0.040 0.000 0.301 43 G HA3 -0.365 3.619 3.960 0.040 0.000 0.301 43 G C 1.319 176.189 174.900 -0.049 0.000 1.166 43 G CA 1.657 46.727 45.100 -0.051 0.000 0.971 43 G HN 2.351 nan 8.290 nan 0.000 0.542 44 S N 0.622 116.307 115.700 -0.024 0.000 2.474 44 S HA 0.049 4.543 4.470 0.040 0.000 0.235 44 S C 1.983 176.579 174.600 -0.007 0.000 0.997 44 S CA 1.586 59.783 58.200 -0.005 0.000 0.949 44 S CB -0.113 63.092 63.200 0.007 0.000 0.766 44 S HN 0.663 nan 8.310 nan 0.000 0.517 45 R N 0.730 121.214 120.500 -0.027 0.000 2.310 45 R HA 0.228 4.592 4.340 0.040 0.000 0.202 45 R C 0.872 177.137 176.300 -0.058 0.000 0.933 45 R CA -0.197 55.888 56.100 -0.024 0.000 1.054 45 R CB -0.045 30.240 30.300 -0.024 0.000 0.985 45 R HN 0.417 nan 8.270 nan 0.000 0.489 46 R N 0.779 121.198 120.500 -0.135 0.000 2.570 46 R HA -0.125 4.239 4.340 0.040 0.000 0.277 46 R C -0.296 175.826 176.300 -0.297 0.000 1.039 46 R CA 0.577 56.477 56.100 -0.334 0.000 1.065 46 R CB 0.158 30.123 30.300 -0.558 0.000 0.964 46 R HN 0.092 nan 8.270 nan 0.000 0.428 47 F N -0.856 119.116 119.950 0.036 0.000 2.748 47 F HA -0.320 4.231 4.527 0.040 0.000 0.370 47 F C 0.178 175.977 175.800 -0.001 0.000 0.620 47 F CA 0.710 58.709 58.000 -0.001 0.000 1.233 47 F CB -1.758 37.231 39.000 -0.019 0.000 1.708 47 F HN 0.486 nan 8.300 nan 0.000 0.298 48 M N 0.939 120.617 119.600 0.129 0.000 2.359 48 M HA 0.410 4.915 4.480 0.040 0.000 0.322 48 M C -1.968 174.369 176.300 0.063 0.000 1.166 48 M CA -1.514 53.840 55.300 0.091 0.000 1.067 48 M CB 0.743 33.383 32.600 0.067 0.000 1.523 48 M HN -0.372 nan 8.290 nan 0.000 0.467 49 P HA 0.079 nan 4.420 nan 0.000 0.267 49 P C -2.464 174.871 177.300 0.059 0.000 1.200 49 P CA -0.568 62.571 63.100 0.066 0.000 0.772 49 P CB -0.514 31.233 31.700 0.078 0.000 0.855 50 P HA 0.132 nan 4.420 nan 0.000 0.275 50 P C -0.425 176.915 177.300 0.066 0.000 1.228 50 P CA 0.196 63.329 63.100 0.055 0.000 0.786 50 P CB 0.787 32.541 31.700 0.090 0.000 0.927 51 E N 2.899 123.123 120.200 0.041 0.000 2.214 51 E HA 0.337 4.712 4.350 0.040 0.000 0.274 51 E C -2.141 174.499 176.600 0.067 0.000 0.977 51 E CA -2.228 54.205 56.400 0.055 0.000 0.827 51 E CB 0.668 30.391 29.700 0.039 0.000 1.130 51 E HN 0.357 nan 8.360 nan 0.000 0.394 52 P HA -0.009 nan 4.420 nan 0.000 0.265 52 P C -0.201 177.168 177.300 0.115 0.000 1.193 52 P CA -0.149 63.035 63.100 0.141 0.000 0.765 52 P CB 0.473 32.262 31.700 0.149 0.000 0.823 53 K N 4.133 124.618 120.400 0.142 0.000 2.484 53 K HA -0.000 4.344 4.320 0.040 0.000 0.280 53 K C 0.277 176.987 176.600 0.183 0.000 1.013 53 K CA 0.264 56.636 56.287 0.143 0.000 1.029 53 K CB 0.139 32.749 32.500 0.184 0.000 0.902 53 K HN 0.282 nan 8.250 nan 0.000 0.481 54 R N 4.813 125.405 120.500 0.153 0.000 2.694 54 R HA 0.140 4.504 4.340 0.040 0.000 0.268 54 R C -1.970 174.440 176.300 0.183 0.000 1.061 54 R CA -1.560 54.619 56.100 0.133 0.000 1.133 54 R CB -0.086 30.276 30.300 0.102 0.000 1.020 54 R HN 0.580 nan 8.270 nan 0.000 0.475 55 P HA -0.093 nan 4.420 nan 0.000 0.267 55 P C -1.202 176.139 177.300 0.069 0.000 1.201 55 P CA 0.225 63.263 63.100 -0.104 0.000 0.775 55 P CB 0.306 31.922 31.700 -0.139 0.000 0.854 56 W N 0.573 121.908 121.300 0.058 0.000 2.882 56 W HA 0.678 5.362 4.660 0.040 0.000 0.345 56 W C -0.702 175.844 176.519 0.044 0.000 1.125 56 W CA -1.020 56.356 57.345 0.052 0.000 1.167 56 W CB 0.118 29.618 29.460 0.065 0.000 1.431 56 W HN 0.372 nan 8.180 nan 0.000 0.543 57 S N 1.655 117.518 115.700 0.272 0.000 2.646 57 S HA 0.784 5.278 4.470 0.040 0.000 0.276 57 S C 0.691 175.438 174.600 0.245 0.000 1.222 57 S CA 0.081 58.380 58.200 0.164 0.000 1.014 57 S CB 0.833 64.100 63.200 0.112 0.000 0.991 57 S HN 2.127 nan 8.310 nan 0.000 0.533 58 G N 0.389 109.285 108.800 0.159 0.000 2.578 58 G HA2 -0.202 3.782 3.960 0.040 0.000 0.275 58 G HA3 -0.202 3.782 3.960 0.040 0.000 0.275 58 G C -0.484 174.563 174.900 0.245 0.000 1.271 58 G CA -0.094 45.102 45.100 0.160 0.000 0.941 58 G HN 1.695 nan 8.290 nan 0.000 0.564 59 V N 0.730 120.762 119.914 0.197 0.000 2.347 59 V HA 0.525 4.669 4.120 0.040 0.000 0.280 59 V C 0.629 176.818 176.094 0.158 0.000 1.021 59 V CA -0.344 62.079 62.300 0.205 0.000 0.847 59 V CB 1.180 33.081 31.823 0.130 0.000 0.990 59 V HN 0.779 nan 8.190 nan 0.000 0.444 60 L N 4.515 125.833 121.223 0.159 0.000 2.360 60 L HA 0.295 4.659 4.340 0.040 0.000 0.276 60 L C 0.623 177.472 176.870 -0.035 0.000 1.121 60 L CA 0.399 55.176 54.840 -0.105 0.000 0.845 60 L CB 0.624 42.345 42.059 -0.564 0.000 1.143 60 L HN 0.682 nan 8.230 nan 0.000 0.452 61 D N 4.876 125.237 120.400 -0.064 0.000 2.358 61 D HA 0.163 4.827 4.640 0.040 0.000 0.258 61 D C -0.509 175.747 176.300 -0.074 0.000 1.223 61 D CA 0.237 54.207 54.000 -0.051 0.000 0.886 61 D CB 1.125 41.886 40.800 -0.065 0.000 1.120 61 D HN 0.674 nan 8.370 nan 0.000 0.482 62 A N 3.123 125.919 122.820 -0.039 0.000 3.129 62 A HA 0.226 4.570 4.320 0.040 0.000 0.282 62 A C 0.810 178.313 177.584 -0.135 0.000 0.948 62 A CA -0.489 51.517 52.037 -0.051 0.000 1.027 62 A CB 0.004 19.058 19.000 0.090 0.000 1.123 62 A HN 0.521 nan 8.150 nan 0.000 0.485 63 T N -3.709 110.743 114.554 -0.169 0.000 3.044 63 T HA 0.351 4.725 4.350 0.040 0.000 0.260 63 T C 0.538 175.082 174.700 -0.260 0.000 1.019 63 T CA 0.588 62.558 62.100 -0.217 0.000 0.921 63 T CB 0.261 69.034 68.868 -0.158 0.000 1.053 63 T HN 0.489 nan 8.240 nan 0.000 0.533 64 T N 0.317 114.714 114.554 -0.262 0.000 2.868 64 T HA 0.605 4.979 4.350 0.040 0.000 0.306 64 T C -1.515 173.015 174.700 -0.283 0.000 1.224 64 T CA -0.851 61.077 62.100 -0.287 0.000 1.012 64 T CB 0.777 69.550 68.868 -0.159 0.000 1.221 64 T HN 0.058 nan 8.240 nan 0.000 0.499 65 F N 2.683 122.562 119.950 -0.118 0.000 2.553 65 F HA 0.344 4.895 4.527 0.040 0.000 0.356 65 F C 1.455 177.152 175.800 -0.171 0.000 1.142 65 F CA -0.029 57.901 58.000 -0.116 0.000 1.322 65 F CB 0.555 39.514 39.000 -0.068 0.000 1.126 65 F HN 0.404 nan 8.300 nan 0.000 0.599 66 Q N 1.207 121.005 119.800 -0.003 0.000 2.199 66 Q HA 0.242 4.606 4.340 0.040 0.000 0.205 66 Q C -0.254 175.665 176.000 -0.135 0.000 1.001 66 Q CA -0.858 54.795 55.803 -0.250 0.000 1.019 66 Q CB 0.589 28.879 28.738 -0.747 0.000 1.132 66 Q HN 0.518 nan 8.270 nan 0.000 0.530 67 N N 0.036 118.630 118.700 -0.177 0.000 2.395 67 N HA -0.003 4.761 4.740 0.040 0.000 0.246 67 N C -0.527 174.959 175.510 -0.040 0.000 1.246 67 N CA 0.170 53.167 53.050 -0.087 0.000 0.879 67 N CB 0.416 38.866 38.487 -0.062 0.000 1.098 67 N HN 0.177 nan 8.380 nan 0.000 0.444 68 V N 2.215 122.084 119.914 -0.075 0.000 2.530 68 V HA 0.022 4.166 4.120 0.040 0.000 0.282 68 V C 0.679 176.729 176.094 -0.074 0.000 1.048 68 V CA -0.777 61.468 62.300 -0.092 0.000 0.997 68 V CB 0.704 32.433 31.823 -0.158 0.000 0.987 68 V HN 0.727 nan 8.190 nan 0.000 0.477 69 c N 5.138 123.716 118.600 -0.036 0.000 2.563 69 c HA 0.013 4.607 4.570 0.040 0.000 0.411 69 c C 0.582 174.644 174.090 -0.048 0.000 1.386 69 c CA -0.479 55.840 56.329 -0.017 0.000 1.703 69 c CB -1.218 41.315 42.510 0.037 0.000 2.596 69 c HN 0.744 nan 8.230 nan 0.000 0.605 70 Y N 4.056 124.229 120.300 -0.212 0.000 2.717 70 Y HA 0.233 4.807 4.550 0.040 0.000 0.330 70 Y C 0.830 176.737 175.900 0.011 0.000 1.217 70 Y CA 1.115 59.080 58.100 -0.225 0.000 1.506 70 Y CB 0.198 38.309 38.460 -0.582 0.000 1.268 70 Y HN 0.758 nan 8.280 nan 0.000 0.561 71 Q N 3.790 123.605 119.800 0.025 0.000 2.578 71 Q HA 0.200 4.564 4.340 0.040 0.000 0.284 71 Q C -1.853 174.269 176.000 0.202 0.000 0.960 71 Q CA -1.199 54.746 55.803 0.237 0.000 0.809 71 Q CB 1.110 29.924 28.738 0.126 0.000 1.462 71 Q HN 0.668 nan 8.270 nan 0.000 0.392 72 Y N 1.239 121.691 120.300 0.254 0.000 2.717 72 Y HA 0.257 4.831 4.550 0.040 0.000 0.330 72 Y C -0.717 175.258 175.900 0.126 0.000 1.217 72 Y CA 0.240 58.456 58.100 0.193 0.000 1.506 72 Y CB 0.793 39.390 38.460 0.229 0.000 1.268 72 Y HN 0.451 nan 8.280 nan 0.000 0.561 73 V N 6.918 126.540 119.914 -0.487 0.000 2.383 73 V HA 0.053 4.197 4.120 0.040 0.000 0.275 73 V C -0.250 175.501 176.094 -0.571 0.000 1.036 73 V CA -0.876 61.189 62.300 -0.391 0.000 0.889 73 V CB 1.212 32.864 31.823 -0.284 0.000 0.985 73 V HN 0.704 nan 8.190 nan 0.000 0.459 74 D N 4.016 124.315 120.400 -0.168 0.000 2.382 74 D HA 0.068 4.732 4.640 0.040 0.000 0.259 74 D C 0.971 177.275 176.300 0.006 0.000 1.224 74 D CA 0.282 54.309 54.000 0.045 0.000 0.894 74 D CB 1.167 42.115 40.800 0.246 0.000 1.127 74 D HN 0.739 nan 8.370 nan 0.000 0.487 75 T N 1.442 115.995 114.554 -0.002 0.000 3.296 75 T HA 0.072 4.446 4.350 0.040 0.000 0.285 75 T C 1.452 176.139 174.700 -0.021 0.000 1.014 75 T CA -0.550 61.539 62.100 -0.018 0.000 0.920 75 T CB -0.058 68.773 68.868 -0.062 0.000 1.143 75 T HN 0.220 nan 8.240 nan 0.000 0.522 76 L N 0.701 121.915 121.223 -0.015 0.000 2.005 76 L HA 0.265 4.629 4.340 0.040 0.000 0.207 76 L C -0.142 176.467 176.870 -0.435 0.000 1.072 76 L CA 1.575 56.261 54.840 -0.257 0.000 0.744 76 L CB -0.354 41.484 42.059 -0.368 0.000 0.895 76 L HN 0.433 nan 8.230 nan 0.000 0.433 77 Y N 0.189 120.508 120.300 0.032 0.000 2.748 77 Y HA 0.424 4.998 4.550 0.040 0.000 0.359 77 Y C -2.200 173.733 175.900 0.056 0.000 1.030 77 Y CA -3.421 54.681 58.100 0.004 0.000 1.169 77 Y CB -0.217 38.200 38.460 -0.072 0.000 1.127 77 Y HN 0.110 nan 8.280 nan 0.000 0.644 78 P HA 0.108 nan 4.420 nan 0.000 0.261 78 P C 1.050 178.403 177.300 0.089 0.000 1.183 78 P CA 1.486 64.635 63.100 0.081 0.000 0.761 78 P CB 0.748 32.466 31.700 0.030 0.000 0.785 79 G N 2.496 111.335 108.800 0.065 0.000 2.217 79 G HA2 -0.282 3.702 3.960 0.040 0.000 0.246 79 G HA3 -0.282 3.702 3.960 0.040 0.000 0.246 79 G C -0.052 174.878 174.900 0.050 0.000 0.990 79 G CA -0.390 44.731 45.100 0.034 0.000 0.627 79 G HN 0.547 nan 8.290 nan 0.000 0.522 80 F N 2.450 122.355 119.950 -0.075 0.000 2.467 80 F HA 0.638 5.189 4.527 0.040 0.000 0.362 80 F C 1.355 177.048 175.800 -0.179 0.000 1.090 80 F CA -0.394 57.510 58.000 -0.160 0.000 1.202 80 F CB 0.976 39.853 39.000 -0.205 0.000 1.113 80 F HN 0.115 nan 8.300 nan 0.000 0.541 81 E N 3.641 123.362 120.200 -0.798 0.000 2.070 81 E HA -0.145 4.229 4.350 0.040 0.000 0.197 81 E C 2.342 178.444 176.600 -0.830 0.000 1.004 81 E CA 2.050 58.028 56.400 -0.703 0.000 0.805 81 E CB -0.510 28.829 29.700 -0.603 0.000 0.744 81 E HN 0.953 nan 8.360 nan 0.000 0.451 82 G N -0.432 107.354 108.800 -1.690 0.000 2.475 82 G HA2 -0.328 3.656 3.960 0.040 0.000 0.220 82 G HA3 -0.328 3.656 3.960 0.040 0.000 0.220 82 G C 1.681 176.628 174.900 0.079 0.000 1.125 82 G CA 1.830 46.287 45.100 -1.072 0.000 0.755 82 G HN 0.477 nan 8.290 nan 0.000 0.565 83 T N -2.704 111.898 114.554 0.080 0.000 3.034 83 T HA 0.170 4.544 4.350 0.040 0.000 0.248 83 T C 1.890 176.742 174.700 0.253 0.000 1.040 83 T CA 0.675 63.061 62.100 0.477 0.000 1.107 83 T CB 0.110 69.314 68.868 0.560 0.000 0.932 83 T HN 0.132 nan 8.240 nan 0.000 0.474 84 E N 2.308 122.519 120.200 0.018 0.000 2.150 84 E HA -0.082 4.292 4.350 0.040 0.000 0.193 84 E C 2.248 178.751 176.600 -0.162 0.000 0.985 84 E CA 1.368 57.733 56.400 -0.058 0.000 0.814 84 E CB -0.483 29.154 29.700 -0.105 0.000 0.752 84 E HN 0.797 nan 8.360 nan 0.000 0.466 85 M N -2.018 117.399 119.600 -0.305 0.000 2.346 85 M HA -0.099 4.405 4.480 0.040 0.000 0.263 85 M C 1.355 177.258 176.300 -0.663 0.000 1.064 85 M CA 1.493 56.466 55.300 -0.545 0.000 1.083 85 M CB -0.570 31.599 32.600 -0.718 0.000 1.399 85 M HN 0.002 nan 8.290 nan 0.000 0.435 86 W N 0.801 122.015 121.300 -0.144 0.000 2.942 86 W HA 0.272 4.956 4.660 0.040 0.000 0.263 86 W C 0.681 177.097 176.519 -0.171 0.000 1.296 86 W CA -0.807 56.439 57.345 -0.165 0.000 1.504 86 W CB -0.303 29.102 29.460 -0.092 0.000 1.096 86 W HN 0.103 nan 8.180 nan 0.000 0.639 87 N N 1.572 120.285 118.700 0.021 0.000 2.415 87 N HA 0.078 4.842 4.740 0.040 0.000 0.248 87 N C -2.376 173.054 175.510 -0.133 0.000 1.271 87 N CA -1.099 51.923 53.050 -0.046 0.000 0.913 87 N CB -0.200 38.260 38.487 -0.046 0.000 1.129 87 N HN -0.317 nan 8.380 nan 0.000 0.444 88 P HA 0.048 nan 4.420 nan 0.000 0.265 88 P C 0.256 177.449 177.300 -0.178 0.000 1.193 88 P CA 0.056 63.046 63.100 -0.184 0.000 0.765 88 P CB 0.345 31.933 31.700 -0.186 0.000 0.823 89 N N 1.995 120.576 118.700 -0.199 0.000 2.187 89 N HA 0.071 4.835 4.740 0.040 0.000 0.212 89 N C 0.185 175.609 175.510 -0.143 0.000 1.152 89 N CA 0.104 53.047 53.050 -0.178 0.000 0.872 89 N CB 0.395 38.755 38.487 -0.211 0.000 1.025 89 N HN 0.157 nan 8.380 nan 0.000 0.514 90 R N 0.139 120.553 120.500 -0.144 0.000 2.905 90 R HA 0.351 4.715 4.340 0.040 0.000 0.260 90 R C -0.670 175.560 176.300 -0.116 0.000 1.086 90 R CA -0.776 55.258 56.100 -0.110 0.000 0.978 90 R CB 0.613 30.858 30.300 -0.093 0.000 1.215 90 R HN 0.092 nan 8.270 nan 0.000 0.480 91 E N 0.884 121.026 120.200 -0.097 0.000 2.413 91 E HA 0.076 4.450 4.350 0.040 0.000 0.263 91 E C -0.347 176.187 176.600 -0.110 0.000 1.015 91 E CA 0.095 56.438 56.400 -0.095 0.000 0.916 91 E CB 0.434 30.092 29.700 -0.070 0.000 0.947 91 E HN 0.251 nan 8.360 nan 0.000 0.440 92 L N 2.959 124.095 121.223 -0.144 0.000 2.380 92 L HA 0.343 4.707 4.340 0.040 0.000 0.273 92 L C 0.296 177.156 176.870 -0.017 0.000 1.138 92 L CA -0.122 54.601 54.840 -0.195 0.000 0.832 92 L CB 0.938 42.678 42.059 -0.533 0.000 1.124 92 L HN 0.412 nan 8.230 nan 0.000 0.454 93 S N 0.842 116.563 115.700 0.036 0.000 2.543 93 S HA 0.196 4.690 4.470 0.040 0.000 0.274 93 S C 0.192 174.793 174.600 0.002 0.000 1.149 93 S CA -0.677 57.564 58.200 0.067 0.000 0.866 93 S CB 1.625 64.833 63.200 0.012 0.000 1.111 93 S HN 0.743 nan 8.310 nan 0.000 0.457 94 E N 0.946 121.091 120.200 -0.091 0.000 2.274 94 E HA -0.055 4.319 4.350 0.040 0.000 0.194 94 E C -0.295 176.256 176.600 -0.081 0.000 0.996 94 E CA 0.437 56.727 56.400 -0.182 0.000 0.840 94 E CB 0.080 29.619 29.700 -0.270 0.000 0.772 94 E HN 0.553 nan 8.360 nan 0.000 0.491 95 D N 0.593 120.977 120.400 -0.026 0.000 2.470 95 D HA -0.011 4.653 4.640 0.040 0.000 0.226 95 D C 0.078 176.474 176.300 0.161 0.000 1.196 95 D CA -0.250 53.774 54.000 0.039 0.000 0.979 95 D CB -0.063 40.771 40.800 0.056 0.000 1.059 95 D HN 0.144 nan 8.370 nan 0.000 0.515 96 c N 2.377 121.053 118.600 0.127 0.000 3.865 96 c HA 0.357 4.951 4.570 0.040 0.000 0.297 96 c C 0.640 174.838 174.090 0.181 0.000 1.758 96 c CA -0.672 55.791 56.329 0.223 0.000 1.778 96 c CB -1.288 41.281 42.510 0.098 0.000 3.158 96 c HN 0.427 nan 8.230 nan 0.000 0.598 97 L N 2.476 123.568 121.223 -0.218 0.000 2.384 97 L HA 0.397 4.761 4.340 0.040 0.000 0.258 97 L C -0.921 175.345 176.870 -1.006 0.000 1.266 97 L CA 0.492 54.971 54.840 -0.603 0.000 1.162 97 L CB -0.773 40.778 42.059 -0.846 0.000 1.375 97 L HN 0.397 nan 8.230 nan 0.000 0.420 98 Y N 1.823 122.099 120.300 -0.039 0.000 2.545 98 Y HA 0.644 5.218 4.550 0.040 0.000 0.348 98 Y C -0.097 176.011 175.900 0.347 0.000 1.002 98 Y CA -1.331 56.833 58.100 0.107 0.000 1.039 98 Y CB 2.017 40.484 38.460 0.011 0.000 1.271 98 Y HN 0.192 nan 8.280 nan 0.000 0.467 99 L N 0.009 121.428 121.223 0.327 0.000 2.301 99 L HA 0.771 5.135 4.340 0.040 0.000 0.264 99 L C -1.233 175.634 176.870 -0.005 0.000 1.016 99 L CA -1.142 53.752 54.840 0.091 0.000 0.821 99 L CB 1.710 43.627 42.059 -0.237 0.000 1.346 99 L HN 0.483 nan 8.230 nan 0.000 0.429 100 N N 0.513 119.213 118.700 -0.001 0.000 2.269 100 N HA 0.682 5.446 4.740 0.040 0.000 0.304 100 N C -1.474 173.915 175.510 -0.202 0.000 1.072 100 N CA -0.462 52.487 53.050 -0.168 0.000 0.802 100 N CB 2.842 41.206 38.487 -0.206 0.000 1.348 100 N HN 0.505 nan 8.380 nan 0.000 0.484 101 V N 1.532 121.255 119.914 -0.318 0.000 2.483 101 V HA 0.427 4.571 4.120 0.040 0.000 0.297 101 V C -0.567 175.440 176.094 -0.146 0.000 1.027 101 V CA -0.844 61.356 62.300 -0.167 0.000 0.855 101 V CB 1.794 33.368 31.823 -0.415 0.000 0.995 101 V HN 0.545 nan 8.190 nan 0.000 0.424 102 W N 2.148 123.531 121.300 0.137 0.000 2.496 102 W HA 0.673 5.357 4.660 0.041 0.000 0.327 102 W C 0.178 176.799 176.519 0.170 0.000 1.086 102 W CA -0.377 57.056 57.345 0.146 0.000 1.222 102 W CB 2.205 31.728 29.460 0.105 0.000 1.304 102 W HN 0.464 nan 8.180 nan 0.000 0.547 103 T N 2.707 117.511 114.554 0.417 0.000 2.883 103 T HA 0.452 4.826 4.350 0.040 0.000 0.301 103 T C -2.600 172.275 174.700 0.291 0.000 1.158 103 T CA -1.760 60.543 62.100 0.339 0.000 1.007 103 T CB 2.132 71.237 68.868 0.396 0.000 1.186 103 T HN -0.065 nan 8.240 nan 0.000 0.499 104 P HA 0.262 nan 4.420 nan 0.000 0.272 104 P C -1.764 175.676 177.300 0.232 0.000 1.223 104 P CA -0.086 63.134 63.100 0.200 0.000 0.784 104 P CB 0.227 32.013 31.700 0.143 0.000 0.923 105 Y N 3.080 123.436 120.300 0.092 0.000 2.326 105 Y HA 0.421 4.995 4.550 0.040 0.000 0.331 105 Y C -2.153 173.782 175.900 0.059 0.000 0.962 105 Y CA -2.498 55.650 58.100 0.079 0.000 1.167 105 Y CB 1.144 39.639 38.460 0.059 0.000 1.148 105 Y HN 0.341 nan 8.280 nan 0.000 0.463 106 P HA 0.189 nan 4.420 nan 0.000 0.272 106 P C -0.847 176.408 177.300 -0.076 0.000 1.240 106 P CA -0.375 62.538 63.100 -0.311 0.000 0.791 106 P CB 0.986 32.550 31.700 -0.226 0.000 0.978 107 R N 1.339 121.803 120.500 -0.060 0.000 2.523 107 R HA 0.065 4.429 4.340 0.040 0.000 0.281 107 R C -1.841 174.482 176.300 0.038 0.000 0.969 107 R CA -0.826 55.303 56.100 0.049 0.000 1.093 107 R CB -1.032 29.305 30.300 0.062 0.000 0.917 107 R HN 0.426 nan 8.270 nan 0.000 0.408 108 P HA -0.108 nan 4.420 nan 0.000 0.263 108 P C 0.085 177.404 177.300 0.030 0.000 1.175 108 P CA 0.402 63.533 63.100 0.053 0.000 0.761 108 P CB 0.627 32.369 31.700 0.069 0.000 0.794 109 A N 2.918 125.750 122.820 0.020 0.000 1.898 109 A HA -0.023 4.321 4.320 0.040 0.000 0.216 109 A C 0.948 178.537 177.584 0.009 0.000 1.181 109 A CA 1.628 53.670 52.037 0.009 0.000 0.620 109 A CB -0.742 18.262 19.000 0.007 0.000 0.819 109 A HN 0.638 nan 8.150 nan 0.000 0.442 110 S N -0.984 114.724 115.700 0.014 0.000 2.607 110 S HA 0.615 5.109 4.470 0.040 0.000 0.303 110 S C -3.103 171.508 174.600 0.019 0.000 1.086 110 S CA -1.974 56.233 58.200 0.011 0.000 0.995 110 S CB 1.117 64.321 63.200 0.007 0.000 1.084 110 S HN 0.040 nan 8.310 nan 0.000 0.507 111 P HA 0.037 nan 4.420 nan 0.000 0.259 111 P C -0.554 176.761 177.300 0.024 0.000 1.155 111 P CA 0.669 63.783 63.100 0.022 0.000 0.759 111 P CB -0.231 31.476 31.700 0.011 0.000 0.753 112 T N 5.573 120.151 114.554 0.040 0.000 2.856 112 T HA 0.428 4.802 4.350 0.040 0.000 0.283 112 T C -2.441 172.282 174.700 0.037 0.000 1.008 112 T CA -1.887 60.237 62.100 0.039 0.000 0.997 112 T CB 1.150 70.054 68.868 0.060 0.000 0.992 112 T HN 0.122 nan 8.240 nan 0.000 0.454 113 P HA 0.125 nan 4.420 nan 0.000 0.265 113 P C -0.976 176.347 177.300 0.038 0.000 1.187 113 P CA -0.157 62.947 63.100 0.007 0.000 0.766 113 P CB 0.396 32.081 31.700 -0.025 0.000 0.820 114 V N 5.047 124.994 119.914 0.054 0.000 2.384 114 V HA 0.300 4.444 4.120 0.040 0.000 0.287 114 V C 0.230 176.379 176.094 0.093 0.000 1.020 114 V CA -0.483 61.872 62.300 0.092 0.000 0.850 114 V CB 1.166 33.059 31.823 0.115 0.000 0.987 114 V HN 0.335 nan 8.190 nan 0.000 0.436 115 L N 6.088 127.371 121.223 0.100 0.000 2.295 115 L HA 0.594 4.958 4.340 0.040 0.000 0.285 115 L C -0.503 176.558 176.870 0.317 0.000 1.035 115 L CA -0.268 54.636 54.840 0.106 0.000 0.806 115 L CB 1.516 43.491 42.059 -0.142 0.000 1.214 115 L HN 0.479 nan 8.230 nan 0.000 0.426 116 I N 2.923 123.727 120.570 0.391 0.000 2.362 116 I HA 0.229 4.423 4.170 0.040 0.000 0.289 116 I C -0.613 175.838 176.117 0.557 0.000 0.994 116 I CA -0.369 61.170 61.300 0.399 0.000 1.158 116 I CB 1.417 39.535 38.000 0.196 0.000 1.315 116 I HN 0.629 nan 8.210 nan 0.000 0.451 117 W N 8.481 129.974 121.300 0.322 0.000 2.365 117 W HA 0.590 5.273 4.660 0.039 0.000 0.316 117 W C -1.564 174.913 176.519 -0.070 0.000 1.164 117 W CA -0.651 56.694 57.345 0.000 0.000 1.204 117 W CB 1.213 30.678 29.460 0.007 0.000 1.213 117 W HN 0.331 nan 8.180 nan 0.000 0.539 118 I N 8.810 128.729 120.570 -1.086 0.000 2.411 118 I HA 0.078 4.272 4.170 0.040 0.000 0.284 118 I C -0.269 175.074 176.117 -1.291 0.000 1.012 118 I CA -1.120 59.638 61.300 -0.904 0.000 1.119 118 I CB 0.820 38.492 38.000 -0.545 0.000 1.261 118 I HN 0.301 nan 8.210 nan 0.000 0.448 119 Y N 4.529 124.425 120.300 -0.673 0.000 2.511 119 Y HA 0.622 5.195 4.550 0.040 0.000 0.347 119 Y C 0.840 176.604 175.900 -0.227 0.000 1.257 119 Y CA -0.728 57.116 58.100 -0.426 0.000 1.469 119 Y CB -0.146 38.265 38.460 -0.081 0.000 1.353 119 Y HN 0.530 nan 8.280 nan 0.000 0.617 120 G N -0.912 107.949 108.800 0.101 0.000 2.543 120 G HA2 0.481 4.465 3.960 0.040 0.000 0.267 120 G HA3 0.481 4.465 3.960 0.040 0.000 0.267 120 G C 0.352 175.241 174.900 -0.019 0.000 1.406 120 G CA -0.899 44.186 45.100 -0.026 0.000 1.048 120 G HN 1.741 nan 8.290 nan 0.000 0.548 121 G N -2.787 105.844 108.800 -0.281 0.000 2.165 121 G HA2 0.384 4.368 3.960 0.040 0.000 0.144 121 G HA3 0.384 4.368 3.960 0.040 0.000 0.144 121 G C 1.058 175.486 174.900 -0.786 0.000 1.049 121 G CA 0.665 45.472 45.100 -0.489 0.000 0.741 121 G HN 2.303 nan 8.290 nan 0.000 0.493 122 G N -0.340 107.961 108.800 -0.832 0.000 2.321 122 G HA2 -0.102 3.882 3.960 0.040 0.000 0.287 122 G HA3 -0.102 3.882 3.960 0.040 0.000 0.287 122 G C 0.924 175.494 174.900 -0.549 0.000 1.018 122 G CA 0.771 45.094 45.100 -1.295 0.000 0.855 122 G HN 1.762 nan 8.290 nan 0.000 0.507 123 F N -3.510 116.330 119.950 -0.183 0.000 2.935 123 F HA -0.335 4.216 4.527 0.040 0.000 0.317 123 F C 1.502 177.443 175.800 0.235 0.000 0.699 123 F CA 2.248 60.266 58.000 0.030 0.000 1.127 123 F CB -2.074 36.774 39.000 -0.253 0.000 1.491 123 F HN 0.906 nan 8.300 nan 0.000 0.337 124 Y N -1.150 119.267 120.300 0.195 0.000 2.453 124 Y HA 0.633 5.207 4.550 0.040 0.000 0.247 124 Y C 0.630 176.651 175.900 0.202 0.000 1.124 124 Y CA 0.278 58.537 58.100 0.266 0.000 1.243 124 Y CB 0.028 38.636 38.460 0.247 0.000 1.213 124 Y HN 0.082 nan 8.280 nan 0.000 0.523 125 S N -0.663 114.773 115.700 -0.440 0.000 2.752 125 S HA 0.901 5.395 4.470 0.040 0.000 0.284 125 S C -0.146 174.272 174.600 -0.303 0.000 1.189 125 S CA -0.489 57.507 58.200 -0.340 0.000 0.835 125 S CB 1.492 64.392 63.200 -0.499 0.000 1.192 125 S HN 1.362 nan 8.310 nan 0.000 0.506 126 G N -0.717 107.867 108.800 -0.361 0.000 2.459 126 G HA2 0.543 4.527 3.960 0.040 0.000 0.685 126 G HA3 0.543 4.527 3.960 0.040 0.000 0.685 126 G C -0.691 173.591 174.900 -1.030 0.000 1.303 126 G CA -0.197 44.524 45.100 -0.631 0.000 0.907 126 G HN 2.157 nan 8.290 nan 0.000 0.632 127 A N -0.936 121.205 122.820 -1.132 0.000 2.589 127 A HA 1.006 5.350 4.320 0.040 0.000 0.296 127 A C 0.642 178.053 177.584 -0.288 0.000 1.062 127 A CA 0.568 52.140 52.037 -0.775 0.000 0.686 127 A CB 1.022 19.794 19.000 -0.379 0.000 1.282 127 A HN 2.581 nan 8.150 nan 0.000 0.404 128 A N 0.452 123.340 122.820 0.114 0.000 2.206 128 A HA 0.237 4.581 4.320 0.040 0.000 0.211 128 A C 1.619 179.270 177.584 0.112 0.000 1.158 128 A CA 1.790 54.067 52.037 0.400 0.000 0.761 128 A CB -0.555 18.732 19.000 0.479 0.000 0.801 128 A HN 1.771 nan 8.150 nan 0.000 0.473 129 S N -0.632 114.890 115.700 -0.297 0.000 2.556 129 S HA 0.369 4.863 4.470 0.040 0.000 0.216 129 S C 0.463 174.609 174.600 -0.757 0.000 0.970 129 S CA -0.505 57.063 58.200 -1.053 0.000 0.912 129 S CB -0.517 61.990 63.200 -1.156 0.000 0.790 129 S HN 0.372 nan 8.310 nan 0.000 0.504 130 L N 1.752 122.691 121.223 -0.473 0.000 2.473 130 L HA 0.229 4.593 4.340 0.040 0.000 0.268 130 L C 1.198 177.727 176.870 -0.568 0.000 1.215 130 L CA -0.467 54.027 54.840 -0.577 0.000 0.823 130 L CB 0.168 41.736 42.059 -0.818 0.000 1.099 130 L HN 0.051 nan 8.230 nan 0.000 0.483 131 D N 0.547 120.643 120.400 -0.507 0.000 2.144 131 D HA -0.138 4.526 4.640 0.040 0.000 0.199 131 D C 2.000 178.008 176.300 -0.486 0.000 0.984 131 D CA 1.233 55.002 54.000 -0.384 0.000 0.834 131 D CB -0.054 40.560 40.800 -0.310 0.000 0.955 131 D HN 0.502 nan 8.370 nan 0.000 0.465 132 V N -1.232 118.242 119.914 -0.733 0.000 3.026 132 V HA -0.173 3.971 4.120 0.040 0.000 0.265 132 V C 0.972 176.483 176.094 -0.972 0.000 1.121 132 V CA 1.133 62.968 62.300 -0.776 0.000 1.142 132 V CB -1.156 30.164 31.823 -0.840 0.000 0.730 132 V HN 0.108 nan 8.190 nan 0.000 0.503 133 Y N 0.308 120.027 120.300 -0.968 0.000 2.571 133 Y HA 0.464 5.038 4.550 0.040 0.000 0.275 133 Y C 0.777 176.013 175.900 -1.107 0.000 1.179 133 Y CA -2.007 55.119 58.100 -1.624 0.000 1.242 133 Y CB -0.915 36.958 38.460 -0.978 0.000 1.126 133 Y HN 0.283 nan 8.280 nan 0.000 0.524 134 D N 0.579 120.646 120.400 -0.554 0.000 2.434 134 D HA 0.074 4.738 4.640 0.040 0.000 0.252 134 D C 1.445 177.402 176.300 -0.572 0.000 1.185 134 D CA 0.544 54.298 54.000 -0.408 0.000 0.886 134 D CB 1.311 42.009 40.800 -0.171 0.000 1.148 134 D HN 0.433 nan 8.370 nan 0.000 0.483 135 G N 3.902 111.738 108.800 -1.607 0.000 2.813 135 G HA2 -0.164 3.820 3.960 0.040 0.000 0.209 135 G HA3 -0.164 3.820 3.960 0.040 0.000 0.209 135 G C 1.442 175.765 174.900 -0.962 0.000 1.150 135 G CA 0.354 44.669 45.100 -1.309 0.000 0.785 135 G HN 0.636 nan 8.290 nan 0.000 0.535 136 R N -0.528 119.322 120.500 -1.082 0.000 2.105 136 R HA -0.042 4.322 4.340 0.040 0.000 0.239 136 R C 1.760 177.783 176.300 -0.463 0.000 1.135 136 R CA 1.383 57.111 56.100 -0.620 0.000 0.967 136 R CB -0.702 29.236 30.300 -0.604 0.000 0.861 136 R HN 0.296 nan 8.270 nan 0.000 0.442 137 F N 1.522 121.382 119.950 -0.150 0.000 2.084 137 F HA 0.002 4.554 4.527 0.041 0.000 0.296 137 F C 2.346 178.096 175.800 -0.083 0.000 1.111 137 F CA 0.938 58.879 58.000 -0.099 0.000 1.224 137 F CB -0.701 38.233 39.000 -0.110 0.000 0.991 137 F HN -0.125 nan 8.300 nan 0.000 0.471 138 L N -0.201 121.062 121.223 0.066 0.000 2.079 138 L HA -0.219 4.145 4.340 0.040 0.000 0.210 138 L C 2.674 179.558 176.870 0.025 0.000 1.081 138 L CA 1.127 55.969 54.840 0.004 0.000 0.752 138 L CB -0.936 41.082 42.059 -0.069 0.000 0.896 138 L HN 0.195 nan 8.230 nan 0.000 0.433 139 A N -0.973 121.866 122.820 0.031 0.000 1.873 139 A HA -0.234 4.111 4.320 0.040 0.000 0.215 139 A C 2.291 179.923 177.584 0.079 0.000 1.186 139 A CA 1.508 53.598 52.037 0.089 0.000 0.616 139 A CB -0.499 18.597 19.000 0.160 0.000 0.823 139 A HN 0.381 nan 8.150 nan 0.000 0.442 140 Q N -0.038 119.792 119.800 0.050 0.000 2.016 140 Q HA -0.094 4.270 4.340 0.040 0.000 0.200 140 Q C 2.238 178.273 176.000 0.059 0.000 0.978 140 Q CA 2.150 57.987 55.803 0.056 0.000 0.833 140 Q CB -0.355 28.401 28.738 0.030 0.000 0.895 140 Q HN 0.408 nan 8.270 nan 0.000 0.427 141 V N 1.384 121.334 119.914 0.058 0.000 2.255 141 V HA -0.143 4.001 4.120 0.040 0.000 0.243 141 V C 1.966 178.079 176.094 0.031 0.000 1.038 141 V CA 1.738 64.065 62.300 0.045 0.000 1.008 141 V CB -0.377 31.472 31.823 0.043 0.000 0.645 141 V HN 0.266 nan 8.190 nan 0.000 0.449 142 E N 0.109 120.325 120.200 0.026 0.000 2.489 142 E HA 0.142 4.516 4.350 0.040 0.000 0.193 142 E C 1.640 178.257 176.600 0.029 0.000 1.057 142 E CA 0.733 57.144 56.400 0.017 0.000 0.866 142 E CB 0.034 29.736 29.700 0.003 0.000 0.916 142 E HN 0.662 nan 8.360 nan 0.000 0.500 143 G N 1.667 110.495 108.800 0.046 0.000 2.273 143 G HA2 -0.279 3.705 3.960 0.040 0.000 0.280 143 G HA3 -0.279 3.705 3.960 0.040 0.000 0.280 143 G C 0.345 175.284 174.900 0.065 0.000 1.047 143 G CA 0.445 45.581 45.100 0.060 0.000 0.869 143 G HN 0.463 nan 8.290 nan 0.000 0.502 144 A N -0.930 121.931 122.820 0.068 0.000 2.295 144 A HA 0.817 5.161 4.320 0.040 0.000 0.318 144 A C 0.357 178.015 177.584 0.123 0.000 1.134 144 A CA -0.281 51.800 52.037 0.073 0.000 0.827 144 A CB 1.610 20.634 19.000 0.040 0.000 1.136 144 A HN 1.109 nan 8.150 nan 0.000 0.493 145 V N 2.279 122.272 119.914 0.131 0.000 2.406 145 V HA 0.359 4.503 4.120 0.040 0.000 0.272 145 V C -0.171 176.045 176.094 0.202 0.000 1.043 145 V CA -0.072 62.335 62.300 0.178 0.000 0.915 145 V CB 0.791 32.711 31.823 0.161 0.000 0.988 145 V HN 0.710 nan 8.190 nan 0.000 0.466 146 L N 6.282 127.681 121.223 0.294 0.000 2.333 146 L HA 0.731 5.095 4.340 0.040 0.000 0.280 146 L C -0.865 176.297 176.870 0.486 0.000 1.004 146 L CA -0.263 54.803 54.840 0.378 0.000 0.820 146 L CB 1.824 44.103 42.059 0.366 0.000 1.247 146 L HN 0.447 nan 8.230 nan 0.000 0.416 147 V N 3.221 123.394 119.914 0.432 0.000 2.604 147 V HA 0.699 4.843 4.120 0.040 0.000 0.305 147 V C -0.406 175.954 176.094 0.444 0.000 1.043 147 V CA -0.441 62.076 62.300 0.361 0.000 0.888 147 V CB 1.949 33.902 31.823 0.217 0.000 0.995 147 V HN 0.838 nan 8.190 nan 0.000 0.429 148 S N 5.415 121.376 115.700 0.434 0.000 2.541 148 S HA 0.879 5.373 4.470 0.040 0.000 0.280 148 S C -0.820 173.947 174.600 0.278 0.000 1.112 148 S CA -0.816 57.643 58.200 0.432 0.000 0.925 148 S CB 2.246 65.829 63.200 0.639 0.000 1.067 148 S HN 0.859 nan 8.310 nan 0.000 0.479 149 M N 1.522 121.246 119.600 0.208 0.000 2.602 149 M HA 0.636 5.140 4.480 0.040 0.000 0.312 149 M C -1.593 174.915 176.300 0.346 0.000 1.181 149 M CA -0.554 54.859 55.300 0.188 0.000 0.910 149 M CB 1.128 33.681 32.600 -0.079 0.000 1.723 149 M HN 0.553 nan 8.290 nan 0.000 0.459 150 N N 2.829 121.798 118.700 0.448 0.000 2.529 150 N HA 0.519 5.283 4.740 0.040 0.000 0.278 150 N C -1.380 174.403 175.510 0.454 0.000 1.146 150 N CA 0.166 53.492 53.050 0.459 0.000 0.980 150 N CB 0.440 39.144 38.487 0.361 0.000 1.124 150 N HN 0.731 nan 8.380 nan 0.000 0.458 151 Y N -1.787 118.709 120.300 0.326 0.000 2.524 151 Y HA 0.549 5.123 4.550 0.040 0.000 0.347 151 Y C -0.127 175.932 175.900 0.265 0.000 1.005 151 Y CA -1.333 56.910 58.100 0.237 0.000 1.025 151 Y CB 0.979 39.512 38.460 0.121 0.000 1.275 151 Y HN 0.197 nan 8.280 nan 0.000 0.460 152 R N 2.129 122.819 120.500 0.316 0.000 2.570 152 R HA 0.450 4.814 4.340 0.040 0.000 0.277 152 R C -0.220 176.300 176.300 0.368 0.000 1.039 152 R CA -0.099 56.146 56.100 0.241 0.000 1.065 152 R CB 0.794 31.190 30.300 0.160 0.000 0.964 152 R HN 0.715 nan 8.270 nan 0.000 0.428 153 V N 0.002 120.164 119.914 0.413 0.000 3.204 153 V HA 0.848 4.992 4.120 0.040 0.000 0.316 153 V C 0.864 177.342 176.094 0.641 0.000 1.160 153 V CA -0.213 62.452 62.300 0.607 0.000 1.044 153 V CB 1.075 33.145 31.823 0.411 0.000 1.136 153 V HN 0.959 nan 8.190 nan 0.000 0.455 154 G N 1.609 110.830 108.800 0.701 0.000 2.582 154 G HA2 -0.329 3.655 3.960 0.040 0.000 0.300 154 G HA3 -0.329 3.655 3.960 0.040 0.000 0.300 154 G C 1.062 176.161 174.900 0.331 0.000 1.300 154 G CA 1.833 47.278 45.100 0.576 0.000 0.959 154 G HN 2.325 nan 8.290 nan 0.000 0.548 155 T N -1.755 112.713 114.554 -0.144 0.000 2.737 155 T HA -0.134 4.240 4.350 0.040 0.000 0.269 155 T C 2.109 176.708 174.700 -0.168 0.000 1.040 155 T CA 2.583 64.361 62.100 -0.536 0.000 1.142 155 T CB -0.406 67.980 68.868 -0.804 0.000 0.861 155 T HN 0.545 nan 8.240 nan 0.000 0.456 156 F N 2.044 122.094 119.950 0.167 0.000 2.234 156 F HA 0.259 4.810 4.527 0.040 0.000 0.299 156 F C 2.707 178.547 175.800 0.066 0.000 1.087 156 F CA 0.696 58.747 58.000 0.085 0.000 1.340 156 F CB -0.811 38.203 39.000 0.023 0.000 1.031 156 F HN 0.370 nan 8.300 nan 0.000 0.500 157 G N -2.071 106.845 108.800 0.192 0.000 2.719 157 G HA2 0.047 4.031 3.960 0.040 0.000 0.211 157 G HA3 0.047 4.031 3.960 0.040 0.000 0.211 157 G C 0.905 175.392 174.900 -0.687 0.000 1.140 157 G CA 0.205 45.154 45.100 -0.251 0.000 0.790 157 G HN 0.343 nan 8.290 nan 0.000 0.529 158 F N -0.637 119.440 119.950 0.211 0.000 2.925 158 F HA 0.423 4.975 4.527 0.041 0.000 0.355 158 F C 0.524 176.444 175.800 0.200 0.000 1.073 158 F CA -0.933 57.173 58.000 0.178 0.000 1.127 158 F CB 0.378 39.496 39.000 0.197 0.000 1.123 158 F HN -0.087 nan 8.300 nan 0.000 0.551 159 L N 2.270 123.602 121.223 0.181 0.000 2.513 159 L HA 0.505 4.869 4.340 0.040 0.000 0.272 159 L C -0.079 176.785 176.870 -0.010 0.000 1.187 159 L CA 0.004 54.856 54.840 0.021 0.000 0.895 159 L CB 0.327 42.085 42.059 -0.502 0.000 1.147 159 L HN 0.118 nan 8.230 nan 0.000 0.483 160 A N 6.358 129.220 122.820 0.070 0.000 2.374 160 A HA 0.648 4.992 4.320 0.040 0.000 0.305 160 A C -1.012 176.566 177.584 -0.011 0.000 1.053 160 A CA -0.609 51.438 52.037 0.015 0.000 0.726 160 A CB 1.275 20.312 19.000 0.063 0.000 1.229 160 A HN 0.727 nan 8.150 nan 0.000 0.431 161 L N 3.607 124.804 121.223 -0.043 0.000 2.360 161 L HA 0.316 4.680 4.340 0.040 0.000 0.265 161 L C -2.375 174.491 176.870 -0.008 0.000 1.066 161 L CA -1.787 53.036 54.840 -0.029 0.000 0.929 161 L CB 1.178 43.207 42.059 -0.049 0.000 1.306 161 L HN 0.412 nan 8.230 nan 0.000 0.434 162 P HA 0.066 nan 4.420 nan 0.000 0.265 162 P C 1.000 178.306 177.300 0.010 0.000 1.187 162 P CA 0.698 63.806 63.100 0.013 0.000 0.766 162 P CB 0.943 32.651 31.700 0.013 0.000 0.820 163 G N 1.548 110.357 108.800 0.017 0.000 2.268 163 G HA2 -0.251 3.733 3.960 0.040 0.000 0.240 163 G HA3 -0.251 3.733 3.960 0.040 0.000 0.240 163 G C 0.372 175.281 174.900 0.015 0.000 1.010 163 G CA 0.280 45.389 45.100 0.015 0.000 0.618 163 G HN 0.833 nan 8.290 nan 0.000 0.516 164 S N -0.015 115.693 115.700 0.012 0.000 2.580 164 S HA 0.589 5.083 4.470 0.040 0.000 0.274 164 S C 1.120 175.734 174.600 0.023 0.000 1.329 164 S CA 0.414 58.622 58.200 0.013 0.000 1.036 164 S CB 2.003 65.206 63.200 0.004 0.000 0.919 164 S HN 0.462 nan 8.310 nan 0.000 0.515 165 R N 0.737 121.253 120.500 0.026 0.000 2.153 165 R HA -0.020 4.344 4.340 0.040 0.000 0.218 165 R C 1.566 177.893 176.300 0.044 0.000 1.072 165 R CA 1.190 57.311 56.100 0.035 0.000 0.990 165 R CB -0.022 30.298 30.300 0.032 0.000 0.889 165 R HN 0.923 nan 8.270 nan 0.000 0.452 166 E N -0.924 119.303 120.200 0.045 0.000 2.452 166 E HA 0.052 4.426 4.350 0.040 0.000 0.197 166 E C -0.270 176.384 176.600 0.089 0.000 1.022 166 E CA 0.248 56.688 56.400 0.067 0.000 0.890 166 E CB 0.866 30.607 29.700 0.068 0.000 0.918 166 E HN 0.150 nan 8.360 nan 0.000 0.496 167 A N 2.674 125.523 122.820 0.048 0.000 3.266 167 A HA 0.369 4.713 4.320 0.040 0.000 0.310 167 A C -2.237 175.356 177.584 0.016 0.000 1.066 167 A CA -1.038 51.016 52.037 0.027 0.000 0.839 167 A CB 0.958 19.895 19.000 -0.105 0.000 1.192 167 A HN -0.054 nan 8.150 nan 0.000 0.496 168 P HA 0.216 nan 4.420 nan 0.000 0.249 168 P C 0.826 178.151 177.300 0.041 0.000 1.229 168 P CA 1.316 64.440 63.100 0.040 0.000 0.788 168 P CB 0.250 31.982 31.700 0.053 0.000 1.072 169 G N 1.308 110.131 108.800 0.038 0.000 2.733 169 G HA2 -0.198 3.786 3.960 0.040 0.000 0.686 169 G HA3 -0.198 3.786 3.960 0.040 0.000 0.686 169 G C -0.007 174.899 174.900 0.011 0.000 1.373 169 G CA -0.289 44.839 45.100 0.046 0.000 0.838 169 G HN 0.158 nan 8.290 nan 0.000 0.588 170 N N -2.370 116.332 118.700 0.003 0.000 2.800 170 N HA -0.294 4.470 4.740 0.040 0.000 0.250 170 N C 1.887 177.241 175.510 -0.260 0.000 1.078 170 N CA 2.343 55.319 53.050 -0.123 0.000 0.804 170 N CB -1.718 36.624 38.487 -0.241 0.000 1.135 170 N HN 1.913 nan 8.380 nan 0.000 0.565 171 V N -2.237 117.537 119.914 -0.233 0.000 2.490 171 V HA -0.055 4.089 4.120 0.040 0.000 0.250 171 V C 2.390 178.353 176.094 -0.217 0.000 1.061 171 V CA 2.400 64.606 62.300 -0.157 0.000 1.064 171 V CB -1.065 30.727 31.823 -0.053 0.000 0.670 171 V HN 0.275 nan 8.190 nan 0.000 0.461 172 G N 0.681 109.158 108.800 -0.540 0.000 2.440 172 G HA2 -0.206 3.778 3.960 0.040 0.000 0.218 172 G HA3 -0.206 3.778 3.960 0.040 0.000 0.218 172 G C 1.567 176.394 174.900 -0.123 0.000 1.154 172 G CA 1.397 46.279 45.100 -0.363 0.000 0.767 172 G HN 0.561 nan 8.290 nan 0.000 0.552 173 L N -0.152 120.950 121.223 -0.202 0.000 2.093 173 L HA 0.048 4.412 4.340 0.040 0.000 0.208 173 L C 2.853 179.706 176.870 -0.028 0.000 1.085 173 L CA 0.395 55.090 54.840 -0.242 0.000 0.755 173 L CB -0.392 41.196 42.059 -0.786 0.000 0.904 173 L HN 0.174 nan 8.230 nan 0.000 0.435 174 L N -0.477 120.733 121.223 -0.021 0.000 2.131 174 L HA -0.206 4.158 4.340 0.040 0.000 0.210 174 L C 2.180 179.167 176.870 0.195 0.000 1.092 174 L CA 0.855 55.798 54.840 0.171 0.000 0.759 174 L CB -0.646 41.499 42.059 0.144 0.000 0.903 174 L HN 0.275 nan 8.230 nan 0.000 0.435 175 D N 0.032 120.533 120.400 0.169 0.000 2.097 175 D HA -0.199 4.465 4.640 0.040 0.000 0.195 175 D C 2.314 178.781 176.300 0.277 0.000 0.989 175 D CA 1.222 55.399 54.000 0.296 0.000 0.827 175 D CB -0.166 40.823 40.800 0.315 0.000 0.966 175 D HN 0.403 nan 8.370 nan 0.000 0.456 176 Q N 0.068 119.965 119.800 0.163 0.000 2.084 176 Q HA -0.112 4.252 4.340 0.040 0.000 0.202 176 Q C 2.283 178.306 176.000 0.039 0.000 0.978 176 Q CA 0.930 56.767 55.803 0.057 0.000 0.844 176 Q CB -0.050 28.717 28.738 0.049 0.000 0.898 176 Q HN 0.171 nan 8.270 nan 0.000 0.426 177 R N 0.483 121.106 120.500 0.205 0.000 2.081 177 R HA -0.174 4.190 4.340 0.040 0.000 0.235 177 R C 2.159 178.541 176.300 0.136 0.000 1.131 177 R CA 0.962 57.178 56.100 0.194 0.000 0.960 177 R CB -0.198 30.320 30.300 0.364 0.000 0.856 177 R HN 0.188 nan 8.270 nan 0.000 0.436 178 L N 0.468 121.797 121.223 0.177 0.000 2.046 178 L HA -0.059 4.305 4.340 0.040 0.000 0.208 178 L C 2.237 179.167 176.870 0.099 0.000 1.077 178 L CA 2.083 57.052 54.840 0.214 0.000 0.747 178 L CB -0.661 41.615 42.059 0.362 0.000 0.896 178 L HN 0.255 nan 8.230 nan 0.000 0.432 179 A N -0.998 121.686 122.820 -0.227 0.000 1.940 179 A HA -0.187 4.157 4.320 0.040 0.000 0.219 179 A C 2.122 179.659 177.584 -0.079 0.000 1.176 179 A CA 1.864 53.587 52.037 -0.524 0.000 0.631 179 A CB -0.778 17.738 19.000 -0.808 0.000 0.814 179 A HN 0.400 nan 8.150 nan 0.000 0.446 180 L N -0.593 120.606 121.223 -0.039 0.000 2.046 180 L HA -0.168 4.197 4.340 0.040 0.000 0.208 180 L C 2.622 179.555 176.870 0.104 0.000 1.077 180 L CA 2.042 56.899 54.840 0.027 0.000 0.747 180 L CB -1.016 41.025 42.059 -0.031 0.000 0.896 180 L HN 0.457 nan 8.230 nan 0.000 0.432 181 Q N -2.364 117.510 119.800 0.122 0.000 2.170 181 Q HA -0.261 4.103 4.340 0.040 0.000 0.203 181 Q C 2.093 178.190 176.000 0.162 0.000 0.976 181 Q CA 1.839 57.721 55.803 0.131 0.000 0.858 181 Q CB -0.319 28.502 28.738 0.139 0.000 0.907 181 Q HN 0.583 nan 8.270 nan 0.000 0.433 182 W N -0.276 121.044 121.300 0.034 0.000 2.358 182 W HA -0.200 4.484 4.660 0.040 0.000 0.303 182 W C 1.769 178.324 176.519 0.060 0.000 1.208 182 W CA 1.219 58.601 57.345 0.062 0.000 1.274 182 W CB -0.152 29.340 29.460 0.053 0.000 1.138 182 W HN -0.137 nan 8.180 nan 0.000 0.515 183 V N 0.981 121.115 119.914 0.367 0.000 2.287 183 V HA -0.381 3.763 4.120 0.040 0.000 0.248 183 V C 2.573 178.695 176.094 0.047 0.000 1.053 183 V CA 2.171 64.609 62.300 0.229 0.000 1.027 183 V CB -1.120 30.837 31.823 0.223 0.000 0.646 183 V HN 0.217 nan 8.190 nan 0.000 0.447 184 Q N -0.199 119.630 119.800 0.049 0.000 2.112 184 Q HA -0.253 4.111 4.340 0.040 0.000 0.206 184 Q C 2.233 178.203 176.000 -0.051 0.000 0.987 184 Q CA 1.942 57.754 55.803 0.015 0.000 0.858 184 Q CB -0.307 28.450 28.738 0.031 0.000 0.905 184 Q HN 0.730 nan 8.270 nan 0.000 0.420 185 E N -0.423 119.710 120.200 -0.111 0.000 2.158 185 E HA -0.040 4.334 4.350 0.040 0.000 0.191 185 E C 1.421 177.856 176.600 -0.274 0.000 0.982 185 E CA 0.512 56.807 56.400 -0.176 0.000 0.823 185 E CB 0.238 29.829 29.700 -0.183 0.000 0.766 185 E HN 0.335 nan 8.360 nan 0.000 0.468 186 N N -0.062 118.380 118.700 -0.430 0.000 2.382 186 N HA 0.006 4.770 4.740 0.040 0.000 0.200 186 N C 1.630 177.037 175.510 -0.171 0.000 1.122 186 N CA 0.065 52.810 53.050 -0.508 0.000 0.870 186 N CB 0.338 38.073 38.487 -1.254 0.000 1.176 186 N HN 0.026 nan 8.380 nan 0.000 0.474 187 I N 2.663 123.206 120.570 -0.046 0.000 2.264 187 I HA -0.191 4.003 4.170 0.040 0.000 0.248 187 I C 2.189 178.422 176.117 0.192 0.000 1.111 187 I CA 0.701 62.121 61.300 0.201 0.000 1.382 187 I CB -0.413 37.674 38.000 0.146 0.000 1.060 187 I HN 0.082 nan 8.210 nan 0.000 0.418 188 A N 0.304 123.152 122.820 0.048 0.000 1.948 188 A HA -0.242 4.102 4.320 0.040 0.000 0.220 188 A C 2.512 180.079 177.584 -0.030 0.000 1.177 188 A CA 2.010 54.053 52.037 0.011 0.000 0.636 188 A CB -1.263 17.720 19.000 -0.028 0.000 0.815 188 A HN 0.516 nan 8.150 nan 0.000 0.449 189 A N -1.377 121.373 122.820 -0.117 0.000 2.024 189 A HA -0.021 4.323 4.320 0.040 0.000 0.220 189 A C 1.694 179.042 177.584 -0.393 0.000 1.164 189 A CA 1.499 53.352 52.037 -0.307 0.000 0.643 189 A CB -0.694 18.006 19.000 -0.500 0.000 0.806 189 A HN 0.540 nan 8.150 nan 0.000 0.451 190 F N -1.228 118.668 119.950 -0.090 0.000 2.765 190 F HA 0.367 4.918 4.527 0.040 0.000 0.302 190 F C 1.845 177.646 175.800 0.001 0.000 1.111 190 F CA 0.566 58.527 58.000 -0.064 0.000 1.359 190 F CB 0.081 39.049 39.000 -0.053 0.000 1.097 190 F HN 0.345 nan 8.300 nan 0.000 0.577 191 G N 0.257 109.134 108.800 0.129 0.000 2.157 191 G HA2 -0.202 3.782 3.960 0.040 0.000 0.248 191 G HA3 -0.202 3.782 3.960 0.040 0.000 0.248 191 G C 0.727 175.692 174.900 0.108 0.000 0.979 191 G CA -0.248 44.907 45.100 0.093 0.000 0.650 191 G HN 0.728 nan 8.290 nan 0.000 0.529 192 G N -0.509 108.379 108.800 0.146 0.000 2.569 192 G HA2 0.432 4.416 3.960 0.040 0.000 0.249 192 G HA3 0.432 4.416 3.960 0.040 0.000 0.249 192 G C -0.513 174.434 174.900 0.078 0.000 1.216 192 G CA 0.426 45.597 45.100 0.118 0.000 0.845 192 G HN 0.264 nan 8.290 nan 0.000 0.568 193 D N 0.865 121.303 120.400 0.062 0.000 2.443 193 D HA 0.303 4.967 4.640 0.040 0.000 0.221 193 D C -1.271 175.059 176.300 0.049 0.000 1.097 193 D CA -2.374 51.651 54.000 0.041 0.000 0.865 193 D CB 1.790 42.603 40.800 0.022 0.000 1.034 193 D HN 0.043 nan 8.370 nan 0.000 0.511 194 P HA -0.040 nan 4.420 nan 0.000 0.239 194 P C 1.063 178.401 177.300 0.064 0.000 1.184 194 P CA 0.565 63.699 63.100 0.055 0.000 0.760 194 P CB 0.140 31.860 31.700 0.033 0.000 0.884 195 M N -1.658 117.975 119.600 0.055 0.000 2.428 195 M HA 0.095 4.599 4.480 0.040 0.000 0.239 195 M C 0.743 177.092 176.300 0.081 0.000 1.121 195 M CA 0.445 55.791 55.300 0.077 0.000 1.019 195 M CB 0.332 32.963 32.600 0.050 0.000 1.485 195 M HN -0.188 nan 8.290 nan 0.000 0.484 196 S N 1.217 116.939 115.700 0.037 0.000 2.252 196 S HA 0.457 4.951 4.470 0.040 0.000 0.187 196 S C -0.960 173.665 174.600 0.041 0.000 1.587 196 S CA -0.478 57.709 58.200 -0.022 0.000 1.215 196 S CB 0.401 63.557 63.200 -0.073 0.000 1.085 196 S HN 0.003 nan 8.310 nan 0.000 0.466 197 V N 3.893 123.876 119.914 0.115 0.000 2.448 197 V HA 0.565 4.709 4.120 0.040 0.000 0.295 197 V C -0.115 176.099 176.094 0.201 0.000 1.025 197 V CA -0.447 61.946 62.300 0.155 0.000 0.859 197 V CB 2.114 34.051 31.823 0.191 0.000 0.988 197 V HN 0.717 nan 8.190 nan 0.000 0.431 198 T N 6.401 121.048 114.554 0.155 0.000 2.786 198 T HA 0.572 4.946 4.350 0.040 0.000 0.283 198 T C -0.282 174.534 174.700 0.194 0.000 0.992 198 T CA -0.379 61.829 62.100 0.179 0.000 0.954 198 T CB 0.899 69.825 68.868 0.096 0.000 0.934 198 T HN 0.340 nan 8.240 nan 0.000 0.440 199 L N 4.889 126.205 121.223 0.154 0.000 2.349 199 L HA 0.635 4.999 4.340 0.040 0.000 0.275 199 L C -0.170 176.889 176.870 0.315 0.000 1.115 199 L CA -0.673 54.227 54.840 0.100 0.000 0.820 199 L CB 0.223 42.121 42.059 -0.268 0.000 1.135 199 L HN 0.711 nan 8.230 nan 0.000 0.445 200 F N 0.279 120.279 119.950 0.083 0.000 2.591 200 F HA 0.920 5.471 4.527 0.040 0.000 0.309 200 F C -0.223 175.529 175.800 -0.079 0.000 1.098 200 F CA -0.734 57.352 58.000 0.143 0.000 0.937 200 F CB 2.182 41.408 39.000 0.377 0.000 1.250 200 F HN 0.478 nan 8.300 nan 0.000 0.447 201 G N 1.662 110.309 108.800 -0.255 0.000 2.673 201 G HA2 0.459 4.443 3.960 0.040 0.000 0.292 201 G HA3 0.459 4.443 3.960 0.040 0.000 0.292 201 G C -2.630 172.049 174.900 -0.369 0.000 1.450 201 G CA -0.698 43.879 45.100 -0.873 0.000 0.837 201 G HN 0.802 nan 8.290 nan 0.000 0.505 202 E N 0.385 120.342 120.200 -0.406 0.000 2.227 202 E HA 0.648 5.022 4.350 0.040 0.000 0.268 202 E C 0.701 177.273 176.600 -0.046 0.000 0.907 202 E CA 0.258 56.652 56.400 -0.009 0.000 0.786 202 E CB 2.167 32.006 29.700 0.232 0.000 1.191 202 E HN 0.783 nan 8.360 nan 0.000 0.411 203 S N 2.385 118.122 115.700 0.063 0.000 4.114 203 S HA -0.389 4.105 4.470 0.040 0.000 0.618 203 S C 1.431 176.161 174.600 0.217 0.000 1.937 203 S CA 2.032 60.353 58.200 0.203 0.000 4.228 203 S CB -1.616 61.657 63.200 0.122 0.000 0.216 203 S HN 0.926 nan 8.310 nan 0.000 0.528 204 A N 1.062 123.875 122.820 -0.011 0.000 2.019 204 A HA 0.192 4.537 4.320 0.040 0.000 0.219 204 A C 2.459 179.825 177.584 -0.364 0.000 1.164 204 A CA 2.318 54.154 52.037 -0.335 0.000 0.644 204 A CB -1.519 16.832 19.000 -1.081 0.000 0.805 204 A HN 1.562 nan 8.150 nan 0.000 0.449 205 G N -0.431 108.205 108.800 -0.273 0.000 2.418 205 G HA2 0.009 3.993 3.960 0.040 0.000 0.217 205 G HA3 0.009 3.993 3.960 0.040 0.000 0.217 205 G C 1.718 176.470 174.900 -0.246 0.000 1.158 205 G CA 1.310 46.203 45.100 -0.345 0.000 0.771 205 G HN 0.751 nan 8.290 nan 0.000 0.545 206 A N 1.226 123.970 122.820 -0.127 0.000 1.898 206 A HA 0.300 4.644 4.320 0.040 0.000 0.216 206 A C 2.832 180.417 177.584 0.001 0.000 1.181 206 A CA 2.153 54.172 52.037 -0.030 0.000 0.620 206 A CB -0.834 18.202 19.000 0.061 0.000 0.819 206 A HN 0.788 nan 8.150 nan 0.000 0.442 207 A N -0.460 122.387 122.820 0.045 0.000 1.908 207 A HA -0.127 4.217 4.320 0.040 0.000 0.218 207 A C 2.461 180.078 177.584 0.056 0.000 1.181 207 A CA 2.257 54.319 52.037 0.042 0.000 0.627 207 A CB -0.913 18.152 19.000 0.109 0.000 0.818 207 A HN 0.454 nan 8.150 nan 0.000 0.445 208 S N -0.616 115.113 115.700 0.049 0.000 2.348 208 S HA -0.130 4.364 4.470 0.040 0.000 0.221 208 S C 1.930 176.524 174.600 -0.010 0.000 1.033 208 S CA 1.358 59.552 58.200 -0.009 0.000 1.010 208 S CB -0.556 62.586 63.200 -0.098 0.000 0.891 208 S HN 0.347 nan 8.310 nan 0.000 0.442 209 V N 1.768 121.682 119.914 0.001 0.000 2.282 209 V HA -0.238 3.906 4.120 0.040 0.000 0.249 209 V C 2.597 178.710 176.094 0.032 0.000 1.057 209 V CA 2.099 64.402 62.300 0.004 0.000 1.032 209 V CB -1.535 30.257 31.823 -0.051 0.000 0.645 209 V HN 0.608 nan 8.190 nan 0.000 0.447 210 G N -1.113 107.698 108.800 0.018 0.000 2.440 210 G HA2 -0.302 3.682 3.960 0.040 0.000 0.218 210 G HA3 -0.302 3.682 3.960 0.040 0.000 0.218 210 G C 1.622 176.556 174.900 0.057 0.000 1.154 210 G CA 1.232 46.346 45.100 0.025 0.000 0.767 210 G HN 0.452 nan 8.290 nan 0.000 0.552 211 M N -0.153 119.462 119.600 0.025 0.000 2.175 211 M HA -0.004 4.500 4.480 0.040 0.000 0.264 211 M C 2.355 178.725 176.300 0.118 0.000 1.063 211 M CA 0.960 56.299 55.300 0.064 0.000 1.119 211 M CB -0.278 32.342 32.600 0.034 0.000 1.377 211 M HN 0.228 nan 8.290 nan 0.000 0.415 212 H N -0.050 119.143 119.070 0.205 0.000 2.387 212 H HA -0.092 4.488 4.556 0.040 0.000 0.299 212 H C 2.157 177.691 175.328 0.343 0.000 1.090 212 H CA 1.679 57.860 56.048 0.222 0.000 1.332 212 H CB -0.529 29.251 29.762 0.031 0.000 1.386 212 H HN 0.411 nan 8.280 nan 0.000 0.516 213 I N 0.790 121.625 120.570 0.443 0.000 2.194 213 I HA -0.268 3.926 4.170 0.040 0.000 0.246 213 I C 1.857 178.163 176.117 0.316 0.000 1.093 213 I CA 1.215 62.787 61.300 0.453 0.000 1.355 213 I CB -0.173 38.010 38.000 0.305 0.000 1.046 213 I HN 0.099 nan 8.210 nan 0.000 0.413 214 L N -0.570 120.788 121.223 0.225 0.000 2.627 214 L HA 0.113 4.477 4.340 0.040 0.000 0.232 214 L C 0.697 177.603 176.870 0.060 0.000 1.150 214 L CA -0.025 54.916 54.840 0.167 0.000 0.917 214 L CB -0.147 41.995 42.059 0.137 0.000 1.104 214 L HN 0.054 nan 8.230 nan 0.000 0.445 215 S N -0.475 115.233 115.700 0.013 0.000 2.659 215 S HA 0.294 4.788 4.470 0.040 0.000 0.312 215 S C 0.622 175.150 174.600 -0.120 0.000 1.114 215 S CA -0.656 57.434 58.200 -0.184 0.000 1.063 215 S CB 1.562 64.379 63.200 -0.637 0.000 0.996 215 S HN 0.216 nan 8.310 nan 0.000 0.478 216 L N 6.530 127.684 121.223 -0.114 0.000 1.978 216 L HA 0.011 4.375 4.340 0.040 0.000 0.218 216 L C -0.917 175.909 176.870 -0.074 0.000 1.075 216 L CA 2.103 56.893 54.840 -0.083 0.000 0.767 216 L CB -0.730 41.281 42.059 -0.080 0.000 0.890 216 L HN 0.524 nan 8.230 nan 0.000 0.434 217 P HA -0.120 nan 4.420 nan 0.000 0.218 217 P C 1.603 178.907 177.300 0.007 0.000 1.148 217 P CA 1.496 64.568 63.100 -0.047 0.000 0.822 217 P CB 0.012 31.679 31.700 -0.055 0.000 0.784 218 S N -0.871 114.851 115.700 0.037 0.000 2.406 218 S HA -0.052 4.442 4.470 0.040 0.000 0.228 218 S C 1.842 176.576 174.600 0.223 0.000 1.020 218 S CA 0.677 59.007 58.200 0.215 0.000 0.965 218 S CB -0.488 62.973 63.200 0.435 0.000 0.798 218 S HN 0.071 nan 8.310 nan 0.000 0.488 219 R N 1.977 122.508 120.500 0.051 0.000 2.241 219 R HA 0.016 4.380 4.340 0.040 0.000 0.224 219 R C 1.809 177.922 176.300 -0.312 0.000 1.101 219 R CA 1.002 56.971 56.100 -0.218 0.000 0.995 219 R CB -0.880 29.325 30.300 -0.158 0.000 0.870 219 R HN 0.553 nan 8.270 nan 0.000 0.463 220 S N -0.838 114.778 115.700 -0.139 0.000 2.597 220 S HA 0.182 4.676 4.470 0.040 0.000 0.224 220 S C 1.385 175.952 174.600 -0.056 0.000 0.955 220 S CA -0.252 57.874 58.200 -0.123 0.000 0.933 220 S CB 0.033 63.190 63.200 -0.072 0.000 0.788 220 S HN 0.172 nan 8.310 nan 0.000 0.488 221 L N 0.402 121.632 121.223 0.011 0.000 2.858 221 L HA 0.521 4.885 4.340 0.040 0.000 0.251 221 L C -0.163 176.864 176.870 0.262 0.000 1.149 221 L CA -0.331 54.591 54.840 0.137 0.000 0.955 221 L CB 0.247 42.411 42.059 0.174 0.000 1.289 221 L HN 0.514 nan 8.230 nan 0.000 0.542 222 F N -4.349 115.614 119.950 0.022 0.000 2.741 222 F HA 0.422 4.973 4.527 0.040 0.000 0.313 222 F C 0.406 176.246 175.800 0.067 0.000 1.153 222 F CA -1.007 57.028 58.000 0.058 0.000 0.931 222 F CB 1.182 40.217 39.000 0.058 0.000 1.335 222 F HN -0.193 nan 8.300 nan 0.000 0.460 223 H N -0.969 118.152 119.070 0.085 0.000 2.926 223 H HA 0.546 5.126 4.556 0.040 0.000 0.249 223 H C -0.119 175.248 175.328 0.065 0.000 0.963 223 H CA -0.029 55.999 56.048 -0.033 0.000 1.158 223 H CB 0.684 30.436 29.762 -0.017 0.000 1.445 223 H HN 0.537 nan 8.280 nan 0.000 0.452 224 R N -0.271 120.474 120.500 0.408 0.000 2.836 224 R HA 0.745 5.109 4.340 0.040 0.000 0.269 224 R C -1.679 174.910 176.300 0.482 0.000 1.010 224 R CA -0.599 55.708 56.100 0.345 0.000 0.930 224 R CB 2.459 32.776 30.300 0.029 0.000 1.218 224 R HN 0.135 nan 8.270 nan 0.000 0.473 225 A N 0.909 124.004 122.820 0.458 0.000 2.515 225 A HA 0.709 5.053 4.320 0.040 0.000 0.298 225 A C -1.483 176.254 177.584 0.254 0.000 1.059 225 A CA -0.612 51.613 52.037 0.315 0.000 0.698 225 A CB 1.953 21.108 19.000 0.259 0.000 1.289 225 A HN 0.313 nan 8.150 nan 0.000 0.404 226 V N 1.907 121.927 119.914 0.177 0.000 2.525 226 V HA 0.458 4.602 4.120 0.040 0.000 0.299 226 V C -1.239 174.941 176.094 0.143 0.000 1.034 226 V CA -0.265 62.082 62.300 0.078 0.000 0.863 226 V CB 1.260 33.152 31.823 0.115 0.000 0.999 226 V HN 0.679 nan 8.190 nan 0.000 0.423 227 L N 5.191 126.468 121.223 0.091 0.000 2.295 227 L HA 0.525 4.889 4.340 0.040 0.000 0.281 227 L C 0.090 177.055 176.870 0.157 0.000 1.018 227 L CA 0.094 54.989 54.840 0.093 0.000 0.841 227 L CB 1.407 43.482 42.059 0.027 0.000 1.218 227 L HN 0.623 nan 8.230 nan 0.000 0.424 228 Q N 2.168 122.110 119.800 0.237 0.000 2.398 228 Q HA 0.426 4.791 4.340 0.040 0.000 0.251 228 Q C 0.101 176.237 176.000 0.225 0.000 0.999 228 Q CA -0.469 55.535 55.803 0.336 0.000 0.874 228 Q CB 1.210 30.234 28.738 0.476 0.000 1.215 228 Q HN 0.639 nan 8.270 nan 0.000 0.470 229 S N 0.958 116.775 115.700 0.196 0.000 3.682 229 S HA -0.156 4.338 4.470 0.040 0.000 0.354 229 S C 0.027 174.823 174.600 0.327 0.000 1.034 229 S CA 0.518 58.860 58.200 0.236 0.000 1.084 229 S CB -1.209 62.126 63.200 0.227 0.000 0.903 229 S HN 0.987 nan 8.310 nan 0.000 0.470 230 G N -0.311 108.642 108.800 0.255 0.000 2.556 230 G HA2 0.630 4.614 3.960 0.040 0.000 0.294 230 G HA3 0.630 4.614 3.960 0.040 0.000 0.294 230 G C -0.916 174.060 174.900 0.126 0.000 1.516 230 G CA 0.187 45.492 45.100 0.342 0.000 0.824 230 G HN 0.920 nan 8.290 nan 0.000 0.535 231 T N -0.912 113.648 114.554 0.009 0.000 2.900 231 T HA 0.751 5.125 4.350 0.040 0.000 0.303 231 T C -2.248 172.314 174.700 -0.229 0.000 1.142 231 T CA -1.491 60.544 62.100 -0.109 0.000 1.007 231 T CB 3.125 71.914 68.868 -0.133 0.000 1.156 231 T HN 0.259 nan 8.240 nan 0.000 0.490 232 P HA -0.029 nan 4.420 nan 0.000 0.220 232 P C 0.324 177.480 177.300 -0.239 0.000 1.152 232 P CA 0.698 63.691 63.100 -0.178 0.000 0.812 232 P CB -0.116 31.535 31.700 -0.083 0.000 0.792 233 N N 0.779 119.354 118.700 -0.208 0.000 2.354 233 N HA 0.277 5.041 4.740 0.040 0.000 0.246 233 N C 0.817 176.132 175.510 -0.326 0.000 1.285 233 N CA 0.733 53.657 53.050 -0.211 0.000 0.925 233 N CB 0.045 38.448 38.487 -0.140 0.000 1.174 233 N HN 0.236 nan 8.380 nan 0.000 0.478 234 G N -0.858 107.767 108.800 -0.292 0.000 2.525 234 G HA2 -0.110 3.874 3.960 0.040 0.000 0.685 234 G HA3 -0.110 3.874 3.960 0.040 0.000 0.685 234 G C -2.249 172.426 174.900 -0.374 0.000 1.290 234 G CA -0.233 44.647 45.100 -0.366 0.000 0.915 234 G HN 0.517 nan 8.290 nan 0.000 0.548 235 P HA 0.088 nan 4.420 nan 0.000 0.231 235 P C 1.467 178.711 177.300 -0.093 0.000 1.168 235 P CA 2.068 65.046 63.100 -0.204 0.000 0.779 235 P CB -0.029 31.523 31.700 -0.247 0.000 0.844 236 W N -1.362 119.847 121.300 -0.152 0.000 2.901 236 W HA 0.547 5.231 4.660 0.040 0.000 0.281 236 W C 1.228 177.829 176.519 0.135 0.000 1.167 236 W CA 0.459 57.796 57.345 -0.013 0.000 1.506 236 W CB -0.826 28.655 29.460 0.035 0.000 0.985 236 W HN -0.172 nan 8.180 nan 0.000 0.590 237 A N 1.902 124.401 122.820 -0.534 0.000 2.067 237 A HA 0.099 4.443 4.320 0.040 0.000 0.217 237 A C 1.233 178.675 177.584 -0.236 0.000 1.156 237 A CA 1.861 53.645 52.037 -0.423 0.000 0.683 237 A CB -0.834 17.653 19.000 -0.854 0.000 0.808 237 A HN 0.258 nan 8.150 nan 0.000 0.455 238 T N -3.290 111.138 114.554 -0.210 0.000 2.887 238 T HA 0.637 5.011 4.350 0.040 0.000 0.292 238 T C -0.588 174.047 174.700 -0.109 0.000 1.087 238 T CA -0.112 61.881 62.100 -0.178 0.000 1.009 238 T CB 1.456 70.228 68.868 -0.160 0.000 1.203 238 T HN 0.900 nan 8.240 nan 0.000 0.518 239 V N -1.251 118.606 119.914 -0.095 0.000 3.078 239 V HA 0.893 5.037 4.120 0.040 0.000 0.311 239 V C 0.229 176.291 176.094 -0.053 0.000 1.138 239 V CA -0.868 61.392 62.300 -0.067 0.000 1.007 239 V CB 1.324 33.108 31.823 -0.066 0.000 1.045 239 V HN 1.372 nan 8.190 nan 0.000 0.432 240 S N 1.650 117.324 115.700 -0.044 0.000 2.600 240 S HA 0.608 5.102 4.470 0.040 0.000 0.265 240 S C 1.424 176.009 174.600 -0.024 0.000 1.325 240 S CA 0.099 58.280 58.200 -0.032 0.000 1.002 240 S CB 1.203 64.385 63.200 -0.030 0.000 0.921 240 S HN 1.964 nan 8.310 nan 0.000 0.554 241 A N 2.326 125.138 122.820 -0.014 0.000 1.873 241 A HA 0.042 4.386 4.320 0.040 0.000 0.218 241 A C 2.299 179.876 177.584 -0.011 0.000 1.193 241 A CA 2.056 54.089 52.037 -0.006 0.000 0.629 241 A CB -2.017 16.983 19.000 -0.001 0.000 0.826 241 A HN 1.246 nan 8.150 nan 0.000 0.447 242 G N -0.619 108.172 108.800 -0.015 0.000 2.476 242 G HA2 -0.318 3.666 3.960 0.040 0.000 0.218 242 G HA3 -0.318 3.666 3.960 0.040 0.000 0.218 242 G C 1.475 176.360 174.900 -0.026 0.000 1.164 242 G CA 1.576 46.664 45.100 -0.019 0.000 0.768 242 G HN 0.609 nan 8.290 nan 0.000 0.560 243 E N 0.754 120.934 120.200 -0.033 0.000 2.208 243 E HA 0.154 4.528 4.350 0.040 0.000 0.193 243 E C 2.584 179.150 176.600 -0.056 0.000 0.988 243 E CA 1.258 57.630 56.400 -0.048 0.000 0.828 243 E CB -0.429 29.238 29.700 -0.055 0.000 0.763 243 E HN 0.310 nan 8.360 nan 0.000 0.478 244 A N 0.744 123.542 122.820 -0.037 0.000 1.897 244 A HA -0.112 4.232 4.320 0.040 0.000 0.215 244 A C 2.261 179.848 177.584 0.004 0.000 1.181 244 A CA 1.496 53.523 52.037 -0.017 0.000 0.620 244 A CB -0.556 18.454 19.000 0.016 0.000 0.821 244 A HN 0.255 nan 8.150 nan 0.000 0.443 245 R N -0.515 119.983 120.500 -0.003 0.000 2.105 245 R HA -0.147 4.218 4.340 0.040 0.000 0.239 245 R C 2.422 178.719 176.300 -0.006 0.000 1.135 245 R CA 1.650 57.748 56.100 -0.003 0.000 0.967 245 R CB -0.288 30.007 30.300 -0.008 0.000 0.861 245 R HN 0.511 nan 8.270 nan 0.000 0.442 246 R N 0.247 120.736 120.500 -0.019 0.000 2.070 246 R HA -0.115 4.249 4.340 0.040 0.000 0.233 246 R C 2.327 178.616 176.300 -0.019 0.000 1.137 246 R CA 1.915 58.000 56.100 -0.024 0.000 0.945 246 R CB -0.091 30.185 30.300 -0.039 0.000 0.845 246 R HN 0.280 nan 8.270 nan 0.000 0.430 247 R N -0.228 120.247 120.500 -0.041 0.000 2.075 247 R HA -0.056 4.308 4.340 0.040 0.000 0.232 247 R C 2.363 178.733 176.300 0.117 0.000 1.126 247 R CA 1.252 57.321 56.100 -0.052 0.000 0.963 247 R CB -0.401 29.723 30.300 -0.294 0.000 0.858 247 R HN 0.226 nan 8.270 nan 0.000 0.435 248 A N 0.879 123.797 122.820 0.165 0.000 1.883 248 A HA -0.196 4.148 4.320 0.040 0.000 0.217 248 A C 2.227 179.843 177.584 0.053 0.000 1.186 248 A CA 2.171 54.301 52.037 0.155 0.000 0.624 248 A CB -1.040 17.991 19.000 0.051 0.000 0.822 248 A HN 0.308 nan 8.150 nan 0.000 0.444 249 T N 0.141 114.709 114.554 0.023 0.000 2.652 249 T HA -0.184 4.190 4.350 0.040 0.000 0.267 249 T C 1.855 176.562 174.700 0.011 0.000 1.039 249 T CA 1.627 63.729 62.100 0.003 0.000 1.153 249 T CB -0.511 68.354 68.868 -0.005 0.000 0.863 249 T HN 0.318 nan 8.240 nan 0.000 0.428 250 L N 1.136 122.372 121.223 0.021 0.000 2.013 250 L HA -0.036 4.328 4.340 0.040 0.000 0.212 250 L C 2.277 179.170 176.870 0.039 0.000 1.073 250 L CA 1.582 56.435 54.840 0.022 0.000 0.753 250 L CB -1.071 40.998 42.059 0.017 0.000 0.890 250 L HN 0.238 nan 8.230 nan 0.000 0.432 251 L N -0.161 121.117 121.223 0.092 0.000 2.012 251 L HA -0.179 4.185 4.340 0.040 0.000 0.210 251 L C 2.524 179.398 176.870 0.007 0.000 1.073 251 L CA 2.243 57.140 54.840 0.094 0.000 0.748 251 L CB -1.002 41.168 42.059 0.185 0.000 0.891 251 L HN 0.313 nan 8.230 nan 0.000 0.431 252 A N -0.428 122.390 122.820 -0.003 0.000 1.892 252 A HA -0.302 4.042 4.320 0.040 0.000 0.218 252 A C 2.552 180.116 177.584 -0.032 0.000 1.188 252 A CA 2.129 54.151 52.037 -0.026 0.000 0.631 252 A CB -0.758 18.224 19.000 -0.030 0.000 0.822 252 A HN 0.545 nan 8.150 nan 0.000 0.447 253 R N -0.542 119.942 120.500 -0.027 0.000 2.081 253 R HA -0.042 4.322 4.340 0.040 0.000 0.235 253 R C 1.943 178.205 176.300 -0.064 0.000 1.131 253 R CA 1.467 57.547 56.100 -0.033 0.000 0.960 253 R CB -0.386 29.901 30.300 -0.021 0.000 0.856 253 R HN 0.545 nan 8.270 nan 0.000 0.436 254 L N 0.654 121.821 121.223 -0.093 0.000 2.265 254 L HA -0.096 4.269 4.340 0.040 0.000 0.215 254 L C 1.867 178.532 176.870 -0.342 0.000 1.117 254 L CA 0.653 55.368 54.840 -0.208 0.000 0.782 254 L CB 0.025 41.949 42.059 -0.226 0.000 0.914 254 L HN 0.196 nan 8.230 nan 0.000 0.441 255 V N -4.545 115.246 119.914 -0.205 0.000 3.483 255 V HA 0.549 4.693 4.120 0.040 0.000 0.301 255 V C 1.164 177.223 176.094 -0.059 0.000 1.389 255 V CA 0.293 62.507 62.300 -0.143 0.000 1.101 255 V CB 0.041 31.825 31.823 -0.064 0.000 0.971 255 V HN 0.386 nan 8.190 nan 0.000 0.434 256 G N -0.308 108.460 108.800 -0.053 0.000 2.159 256 G HA2 -0.218 3.766 3.960 0.040 0.000 0.227 256 G HA3 -0.218 3.766 3.960 0.040 0.000 0.227 256 G C 0.052 174.945 174.900 -0.013 0.000 0.986 256 G CA -0.092 44.993 45.100 -0.024 0.000 0.651 256 G HN 0.688 nan 8.290 nan 0.000 0.523 257 c N 2.246 120.837 118.600 -0.015 0.000 2.319 257 c HA 0.798 5.392 4.570 0.040 0.000 0.335 257 c C -1.237 172.847 174.090 -0.011 0.000 1.274 257 c CA -1.063 55.261 56.329 -0.007 0.000 1.806 257 c CB 1.340 43.848 42.510 -0.003 0.000 2.329 257 c HN 0.478 nan 8.230 nan 0.000 0.524 266 D N 0.194 120.591 120.400 -0.005 0.000 2.116 266 D HA -0.141 4.523 4.640 0.040 0.000 0.193 266 D C 1.130 177.428 176.300 -0.004 0.000 0.998 266 D CA 2.300 56.294 54.000 -0.010 0.000 0.836 266 D CB -0.480 40.314 40.800 -0.009 0.000 0.951 266 D HN 0.708 nan 8.370 nan 0.000 0.449 267 T N 1.139 115.696 114.554 0.005 0.000 2.607 267 T HA -0.193 4.181 4.350 0.040 0.000 0.267 267 T C 1.840 176.550 174.700 0.016 0.000 1.049 267 T CA 1.582 63.691 62.100 0.014 0.000 1.162 267 T CB -0.352 68.525 68.868 0.016 0.000 0.863 267 T HN 0.299 nan 8.240 nan 0.000 0.424 268 E N 0.463 120.669 120.200 0.011 0.000 2.070 268 E HA -0.132 4.243 4.350 0.040 0.000 0.197 268 E C 2.229 178.835 176.600 0.011 0.000 1.004 268 E CA 1.004 57.411 56.400 0.012 0.000 0.805 268 E CB -0.321 29.384 29.700 0.008 0.000 0.744 268 E HN 0.363 nan 8.360 nan 0.000 0.451 269 L N 0.770 121.994 121.223 0.001 0.000 2.017 269 L HA -0.212 4.153 4.340 0.040 0.000 0.208 269 L C 2.245 179.112 176.870 -0.005 0.000 1.073 269 L CA 1.365 56.200 54.840 -0.008 0.000 0.745 269 L CB -0.104 41.941 42.059 -0.023 0.000 0.894 269 L HN 0.133 nan 8.230 nan 0.000 0.432 270 I N -0.269 120.299 120.570 -0.004 0.000 2.315 270 I HA -0.236 3.958 4.170 0.040 0.000 0.248 270 I C 2.721 178.897 176.117 0.098 0.000 1.117 270 I CA 0.965 62.278 61.300 0.022 0.000 1.404 270 I CB -0.583 37.430 38.000 0.021 0.000 1.071 270 I HN 0.315 nan 8.210 nan 0.000 0.419 271 A N -0.124 122.737 122.820 0.067 0.000 1.902 271 A HA -0.294 4.050 4.320 0.040 0.000 0.217 271 A C 2.531 180.156 177.584 0.067 0.000 1.181 271 A CA 2.000 54.078 52.037 0.068 0.000 0.623 271 A CB -1.316 17.710 19.000 0.044 0.000 0.818 271 A HN 0.630 nan 8.150 nan 0.000 0.443 272 c N -0.620 118.012 118.600 0.053 0.000 2.457 272 c HA 0.070 4.664 4.570 0.040 0.000 0.278 272 c C 2.567 176.697 174.090 0.067 0.000 1.309 272 c CA 0.909 57.265 56.329 0.046 0.000 1.735 272 c CB -1.578 40.949 42.510 0.027 0.000 1.992 272 c HN 0.579 nan 8.230 nan 0.000 0.493 273 L N 0.442 121.721 121.223 0.093 0.000 2.079 273 L HA -0.145 4.219 4.340 0.040 0.000 0.210 273 L C 2.983 179.982 176.870 0.216 0.000 1.081 273 L CA 1.626 56.564 54.840 0.162 0.000 0.752 273 L CB -0.645 41.520 42.059 0.178 0.000 0.896 273 L HN 0.368 nan 8.230 nan 0.000 0.433 274 R N -0.656 119.962 120.500 0.197 0.000 2.235 274 R HA -0.098 4.266 4.340 0.040 0.000 0.213 274 R C 2.190 178.511 176.300 0.035 0.000 1.059 274 R CA 1.591 57.745 56.100 0.090 0.000 0.997 274 R CB -0.283 30.063 30.300 0.076 0.000 0.884 274 R HN 0.507 nan 8.270 nan 0.000 0.462 275 T N -1.670 112.912 114.554 0.047 0.000 3.088 275 T HA 0.093 4.467 4.350 0.040 0.000 0.259 275 T C 0.974 175.690 174.700 0.026 0.000 1.122 275 T CA -0.036 62.081 62.100 0.028 0.000 1.095 275 T CB 0.166 69.050 68.868 0.028 0.000 0.930 275 T HN -0.139 nan 8.240 nan 0.000 0.508 276 R N 2.769 123.293 120.500 0.040 0.000 2.389 276 R HA 0.366 4.730 4.340 0.040 0.000 0.295 276 R C -2.632 173.685 176.300 0.029 0.000 1.075 276 R CA -2.369 53.756 56.100 0.041 0.000 1.005 276 R CB 0.129 30.463 30.300 0.058 0.000 0.987 276 R HN 0.269 nan 8.270 nan 0.000 0.452 277 P HA -0.050 nan 4.420 nan 0.000 0.266 277 P C 0.322 177.615 177.300 -0.011 0.000 1.193 277 P CA 0.282 63.375 63.100 -0.011 0.000 0.770 277 P CB 0.594 32.295 31.700 0.002 0.000 0.836 278 A N 2.867 125.612 122.820 -0.125 0.000 1.873 278 A HA -0.297 4.047 4.320 0.040 0.000 0.218 278 A C 2.157 179.721 177.584 -0.034 0.000 1.193 278 A CA 2.049 53.983 52.037 -0.171 0.000 0.629 278 A CB -1.407 16.971 19.000 -1.037 0.000 0.826 278 A HN 0.527 nan 8.150 nan 0.000 0.447 279 Q N -0.014 119.738 119.800 -0.079 0.000 2.181 279 Q HA -0.179 4.185 4.340 0.040 0.000 0.205 279 Q C 1.341 177.449 176.000 0.181 0.000 0.980 279 Q CA 2.060 57.978 55.803 0.191 0.000 0.862 279 Q CB -0.492 28.373 28.738 0.211 0.000 0.905 279 Q HN 0.666 nan 8.270 nan 0.000 0.429 280 D N -0.834 119.644 120.400 0.131 0.000 2.123 280 D HA -0.154 4.510 4.640 0.040 0.000 0.196 280 D C 1.533 177.951 176.300 0.196 0.000 0.992 280 D CA 0.787 54.883 54.000 0.160 0.000 0.833 280 D CB -0.085 40.791 40.800 0.127 0.000 0.954 280 D HN 0.212 nan 8.370 nan 0.000 0.455 281 L N 0.215 121.526 121.223 0.147 0.000 2.027 281 L HA -0.104 4.260 4.340 0.040 0.000 0.206 281 L C 2.510 179.461 176.870 0.134 0.000 1.074 281 L CA 0.928 55.815 54.840 0.080 0.000 0.745 281 L CB -0.911 41.086 42.059 -0.103 0.000 0.898 281 L HN -0.037 nan 8.230 nan 0.000 0.433 282 V N -0.329 119.731 119.914 0.244 0.000 2.407 282 V HA -0.278 3.866 4.120 0.040 0.000 0.248 282 V C 2.105 178.332 176.094 0.221 0.000 1.055 282 V CA 1.640 64.132 62.300 0.319 0.000 1.049 282 V CB -0.599 31.524 31.823 0.500 0.000 0.662 282 V HN 0.391 nan 8.190 nan 0.000 0.455 283 D N -0.991 119.493 120.400 0.141 0.000 2.221 283 D HA -0.135 4.529 4.640 0.040 0.000 0.204 283 D C 1.769 177.874 176.300 -0.326 0.000 0.982 283 D CA 1.258 55.222 54.000 -0.059 0.000 0.857 283 D CB -0.174 40.542 40.800 -0.140 0.000 0.934 283 D HN 0.553 nan 8.370 nan 0.000 0.475 284 H N -0.688 118.370 119.070 -0.021 0.000 2.784 284 H HA 0.189 4.769 4.556 0.040 0.000 0.273 284 H C 1.373 176.710 175.328 0.015 0.000 1.112 284 H CA -0.146 55.815 56.048 -0.145 0.000 1.162 284 H CB 0.764 30.480 29.762 -0.075 0.000 1.586 284 H HN 0.246 nan 8.280 nan 0.000 0.548 285 E N 0.656 120.971 120.200 0.192 0.000 2.070 285 E HA -0.224 4.150 4.350 0.040 0.000 0.197 285 E C 1.728 178.527 176.600 0.330 0.000 1.004 285 E CA 1.260 57.844 56.400 0.306 0.000 0.805 285 E CB -0.026 29.827 29.700 0.256 0.000 0.744 285 E HN 0.400 nan 8.360 nan 0.000 0.451 286 W N 1.328 122.655 121.300 0.045 0.000 2.374 286 W HA -0.152 4.532 4.660 0.040 0.000 0.288 286 W C 1.659 178.289 176.519 0.185 0.000 1.218 286 W CA 1.575 58.954 57.345 0.056 0.000 1.245 286 W CB -0.502 28.964 29.460 0.010 0.000 1.126 286 W HN 0.237 nan 8.180 nan 0.000 0.545 287 H N -0.799 118.282 119.070 0.020 0.000 2.545 287 H HA -0.087 4.493 4.556 0.040 0.000 0.282 287 H C 2.012 177.265 175.328 -0.125 0.000 1.020 287 H CA 1.232 57.193 56.048 -0.144 0.000 1.243 287 H CB -0.049 29.728 29.762 0.025 0.000 1.377 287 H HN 0.191 nan 8.280 nan 0.000 0.581 288 V N -1.104 118.849 119.914 0.065 0.000 3.541 288 V HA 0.075 4.219 4.120 0.040 0.000 0.267 288 V C 0.895 176.924 176.094 -0.107 0.000 1.213 288 V CA 0.132 62.421 62.300 -0.019 0.000 1.149 288 V CB -0.549 31.270 31.823 -0.007 0.000 0.822 288 V HN 0.112 nan 8.190 nan 0.000 0.462 289 L N 2.303 123.446 121.223 -0.133 0.000 2.490 289 L HA 0.175 4.539 4.340 0.040 0.000 0.274 289 L C -0.328 176.455 176.870 -0.144 0.000 1.201 289 L CA -0.874 53.881 54.840 -0.141 0.000 0.869 289 L CB 0.675 42.653 42.059 -0.135 0.000 1.123 289 L HN 0.169 nan 8.230 nan 0.000 0.484 290 P HA -0.084 nan 4.420 nan 0.000 0.221 290 P C -0.277 176.964 177.300 -0.098 0.000 1.150 290 P CA 1.085 64.127 63.100 -0.097 0.000 0.800 290 P CB 0.462 32.117 31.700 -0.075 0.000 0.787 291 Q N -1.161 118.581 119.800 -0.097 0.000 2.456 291 Q HA 0.334 4.698 4.340 0.040 0.000 0.283 291 Q C -0.602 175.342 176.000 -0.093 0.000 1.084 291 Q CA -0.759 54.992 55.803 -0.086 0.000 0.801 291 Q CB 1.532 30.237 28.738 -0.055 0.000 1.434 291 Q HN -0.046 nan 8.270 nan 0.000 0.419 292 E N 1.104 121.257 120.200 -0.078 0.000 2.417 292 E HA 0.282 4.656 4.350 0.040 0.000 0.261 292 E C -1.001 175.600 176.600 0.002 0.000 1.000 292 E CA 0.185 56.563 56.400 -0.036 0.000 0.919 292 E CB 0.344 30.037 29.700 -0.012 0.000 0.955 292 E HN 0.611 nan 8.360 nan 0.000 0.455 293 S N 3.541 119.265 115.700 0.039 0.000 2.588 293 S HA 0.614 5.108 4.470 0.040 0.000 0.269 293 S C -0.538 174.090 174.600 0.046 0.000 1.157 293 S CA -1.036 57.179 58.200 0.025 0.000 0.824 293 S CB 0.680 63.872 63.200 -0.014 0.000 1.126 293 S HN 0.550 nan 8.310 nan 0.000 0.464 294 I N -2.733 117.846 120.570 0.016 0.000 2.892 294 I HA 0.821 5.015 4.170 0.040 0.000 0.306 294 I C -0.267 175.805 176.117 -0.075 0.000 1.078 294 I CA -1.190 60.114 61.300 0.007 0.000 1.032 294 I CB 1.137 39.182 38.000 0.076 0.000 1.229 294 I HN 0.756 nan 8.210 nan 0.000 0.435 295 F N 2.021 121.726 119.950 -0.409 0.000 3.074 295 F HA -0.184 4.366 4.527 0.039 0.000 0.287 295 F C -0.376 174.874 175.800 -0.915 0.000 0.932 295 F CA 0.620 58.112 58.000 -0.846 0.000 0.995 295 F CB -0.618 37.778 39.000 -1.006 0.000 0.966 295 F HN 0.596 nan 8.300 nan 0.000 0.721 296 R N 0.482 120.533 120.500 -0.748 0.000 2.686 296 R HA 0.643 5.007 4.340 0.040 0.000 0.283 296 R C -1.044 174.820 176.300 -0.727 0.000 0.978 296 R CA -0.599 55.148 56.100 -0.589 0.000 0.897 296 R CB 1.455 31.638 30.300 -0.196 0.000 1.192 296 R HN 0.006 nan 8.270 nan 0.000 0.457 297 F N -0.655 119.402 119.950 0.178 0.000 2.551 297 F HA 0.337 4.888 4.527 0.040 0.000 0.316 297 F C 1.499 177.349 175.800 0.084 0.000 1.089 297 F CA -0.790 57.310 58.000 0.168 0.000 0.915 297 F CB 1.956 41.147 39.000 0.318 0.000 1.186 297 F HN 0.366 nan 8.300 nan 0.000 0.456 298 S N 0.956 116.781 115.700 0.209 0.000 2.368 298 S HA -0.043 4.451 4.470 0.040 0.000 0.225 298 S C -0.010 174.319 174.600 -0.452 0.000 1.030 298 S CA 1.273 59.397 58.200 -0.127 0.000 0.999 298 S CB -0.232 62.953 63.200 -0.025 0.000 0.844 298 S HN 0.378 nan 8.310 nan 0.000 0.459 299 F N 1.239 121.331 119.950 0.237 0.000 2.513 299 F HA 0.503 5.055 4.527 0.040 0.000 0.358 299 F C -0.138 175.741 175.800 0.132 0.000 1.118 299 F CA -0.961 57.166 58.000 0.212 0.000 1.037 299 F CB 1.354 40.513 39.000 0.264 0.000 1.276 299 F HN -0.123 nan 8.300 nan 0.000 0.446 300 V N 0.559 120.485 119.914 0.021 0.000 3.158 300 V HA 0.782 4.926 4.120 0.040 0.000 0.311 300 V C -2.867 172.908 176.094 -0.530 0.000 1.181 300 V CA -3.320 58.677 62.300 -0.505 0.000 1.054 300 V CB 2.036 33.728 31.823 -0.219 0.000 1.085 300 V HN 0.213 nan 8.190 nan 0.000 0.446 301 P HA 0.209 nan 4.420 nan 0.000 0.267 301 P C -0.838 176.347 177.300 -0.192 0.000 1.201 301 P CA 0.317 63.177 63.100 -0.400 0.000 0.775 301 P CB 0.668 32.050 31.700 -0.530 0.000 0.854 302 V N 4.021 123.893 119.914 -0.070 0.000 2.604 302 V HA 0.242 4.386 4.120 0.040 0.000 0.305 302 V C -0.443 175.643 176.094 -0.013 0.000 1.043 302 V CA -0.955 61.325 62.300 -0.033 0.000 0.888 302 V CB 2.124 33.954 31.823 0.011 0.000 0.995 302 V HN 0.145 nan 8.190 nan 0.000 0.429 303 V N 7.536 127.441 119.914 -0.016 0.000 2.382 303 V HA 0.132 4.276 4.120 0.040 0.000 0.250 303 V C 0.912 177.018 176.094 0.021 0.000 1.069 303 V CA 0.632 62.936 62.300 0.006 0.000 1.130 303 V CB -0.108 31.710 31.823 -0.009 0.000 1.165 303 V HN 1.056 nan 8.190 nan 0.000 0.483 304 D N 2.679 123.106 120.400 0.046 0.000 2.379 304 D HA 0.128 4.792 4.640 0.040 0.000 0.208 304 D C 1.535 177.863 176.300 0.047 0.000 1.065 304 D CA 0.607 54.636 54.000 0.049 0.000 0.848 304 D CB 0.418 41.259 40.800 0.070 0.000 0.949 304 D HN 0.666 nan 8.370 nan 0.000 0.509 305 G N 0.700 109.527 108.800 0.045 0.000 2.155 305 G HA2 -0.333 3.651 3.960 0.040 0.000 0.257 305 G HA3 -0.333 3.651 3.960 0.040 0.000 0.257 305 G C 0.423 175.348 174.900 0.042 0.000 0.983 305 G CA 0.834 45.955 45.100 0.035 0.000 0.676 305 G HN 0.540 nan 8.290 nan 0.000 0.528 306 D N -1.602 118.840 120.400 0.070 0.000 3.074 306 D HA 0.224 4.888 4.640 0.040 0.000 0.227 306 D C 1.754 178.113 176.300 0.099 0.000 1.553 306 D CA 0.395 54.441 54.000 0.078 0.000 1.347 306 D CB -0.586 40.271 40.800 0.096 0.000 1.021 306 D HN 0.084 nan 8.370 nan 0.000 0.260 307 F N 1.240 121.203 119.950 0.021 0.000 2.069 307 F HA 0.135 4.686 4.527 0.040 0.000 0.298 307 F C 0.645 176.452 175.800 0.011 0.000 1.113 307 F CA 1.261 59.274 58.000 0.021 0.000 1.214 307 F CB 0.112 39.123 39.000 0.019 0.000 0.978 307 F HN -0.024 nan 8.300 nan 0.000 0.474 308 L N 0.843 122.229 121.223 0.272 0.000 2.277 308 L HA 0.189 4.553 4.340 0.040 0.000 0.284 308 L C 1.359 178.272 176.870 0.072 0.000 1.028 308 L CA -0.187 54.743 54.840 0.150 0.000 0.835 308 L CB 1.352 43.499 42.059 0.147 0.000 1.215 308 L HN 0.112 nan 8.230 nan 0.000 0.425 309 S N 0.571 116.290 115.700 0.031 0.000 2.453 309 S HA -0.008 4.486 4.470 0.040 0.000 0.231 309 S C 0.487 175.096 174.600 0.015 0.000 1.005 309 S CA 0.470 58.680 58.200 0.016 0.000 0.949 309 S CB 0.180 63.378 63.200 -0.003 0.000 0.774 309 S HN 0.706 nan 8.310 nan 0.000 0.510 310 D N 0.120 120.530 120.400 0.017 0.000 2.759 310 D HA 0.277 4.941 4.640 0.040 0.000 0.321 310 D C -0.846 175.459 176.300 0.009 0.000 1.267 310 D CA 0.050 54.056 54.000 0.010 0.000 0.933 310 D CB 1.497 42.300 40.800 0.005 0.000 1.431 310 D HN 0.248 nan 8.370 nan 0.000 0.504 311 T N -0.897 113.656 114.554 -0.002 0.000 2.932 311 T HA 0.207 4.581 4.350 0.040 0.000 0.312 311 T C -1.796 172.899 174.700 -0.008 0.000 1.071 311 T CA -0.676 61.416 62.100 -0.014 0.000 1.128 311 T CB 0.995 69.848 68.868 -0.026 0.000 0.984 311 T HN 0.097 nan 8.240 nan 0.000 0.549 312 P HA -0.092 nan 4.420 nan 0.000 0.216 312 P C 1.330 178.626 177.300 -0.007 0.000 1.150 312 P CA 1.063 64.154 63.100 -0.016 0.000 0.843 312 P CB 0.073 31.735 31.700 -0.062 0.000 0.787 313 E N -0.333 119.852 120.200 -0.024 0.000 2.038 313 E HA -0.159 4.215 4.350 0.040 0.000 0.195 313 E C 2.191 178.798 176.600 0.012 0.000 1.000 313 E CA 1.665 58.057 56.400 -0.013 0.000 0.803 313 E CB -1.231 28.454 29.700 -0.026 0.000 0.750 313 E HN 0.117 nan 8.360 nan 0.000 0.448 314 A N 0.524 123.349 122.820 0.009 0.000 1.908 314 A HA -0.184 4.160 4.320 0.040 0.000 0.218 314 A C 2.222 179.828 177.584 0.038 0.000 1.181 314 A CA 1.382 53.429 52.037 0.017 0.000 0.627 314 A CB -0.728 18.276 19.000 0.007 0.000 0.818 314 A HN 0.205 nan 8.150 nan 0.000 0.445 315 L N -0.142 121.112 121.223 0.051 0.000 2.109 315 L HA -0.112 4.252 4.340 0.040 0.000 0.207 315 L C 2.554 179.534 176.870 0.183 0.000 1.086 315 L CA 1.429 56.321 54.840 0.086 0.000 0.760 315 L CB -0.609 41.503 42.059 0.088 0.000 0.910 315 L HN 0.660 nan 8.230 nan 0.000 0.437 316 I N -3.041 117.636 120.570 0.179 0.000 2.676 316 I HA -0.122 4.072 4.170 0.040 0.000 0.259 316 I C 1.787 178.041 176.117 0.228 0.000 1.194 316 I CA 1.156 62.605 61.300 0.249 0.000 1.473 316 I CB -0.436 37.601 38.000 0.061 0.000 1.096 316 I HN 0.183 nan 8.210 nan 0.000 0.443 317 N N 1.376 120.152 118.700 0.127 0.000 2.354 317 N HA -0.078 4.686 4.740 0.040 0.000 0.179 317 N C 1.724 177.283 175.510 0.082 0.000 1.021 317 N CA 1.942 55.047 53.050 0.092 0.000 0.887 317 N CB -0.095 38.422 38.487 0.050 0.000 0.974 317 N HN 0.684 nan 8.380 nan 0.000 0.437 318 T N -4.242 110.351 114.554 0.064 0.000 3.043 318 T HA 0.330 4.704 4.350 0.040 0.000 0.272 318 T C 0.898 175.557 174.700 -0.068 0.000 0.990 318 T CA -0.378 61.724 62.100 0.005 0.000 0.897 318 T CB 0.125 68.988 68.868 -0.008 0.000 1.111 318 T HN 0.026 nan 8.240 nan 0.000 0.529 319 G N 0.750 109.484 108.800 -0.109 0.000 2.606 319 G HA2 0.434 4.418 3.960 0.040 0.000 0.252 319 G HA3 0.434 4.418 3.960 0.040 0.000 0.252 319 G C -1.143 173.356 174.900 -0.668 0.000 1.206 319 G CA -0.352 44.451 45.100 -0.495 0.000 0.861 319 G HN 0.274 nan 8.290 nan 0.000 0.561 320 D N 0.003 119.963 120.400 -0.734 0.000 2.392 320 D HA 0.368 5.032 4.640 0.040 0.000 0.228 320 D C -0.475 175.470 176.300 -0.592 0.000 1.074 320 D CA -0.673 53.035 54.000 -0.486 0.000 0.838 320 D CB 0.766 41.416 40.800 -0.250 0.000 1.067 320 D HN 0.096 nan 8.370 nan 0.000 0.511 321 F N 1.914 121.865 119.950 0.001 0.000 2.772 321 F HA 0.235 4.786 4.527 0.041 0.000 0.302 321 F C 2.054 177.858 175.800 0.007 0.000 1.136 321 F CA -0.337 57.668 58.000 0.007 0.000 1.322 321 F CB 0.277 39.292 39.000 0.025 0.000 0.967 321 F HN 0.359 nan 8.300 nan 0.000 0.513 322 Q N 0.113 119.966 119.800 0.089 0.000 2.170 322 Q HA -0.153 4.211 4.340 0.040 0.000 0.203 322 Q C 0.535 176.568 176.000 0.056 0.000 0.976 322 Q CA 1.236 57.077 55.803 0.063 0.000 0.858 322 Q CB 0.051 28.800 28.738 0.018 0.000 0.907 322 Q HN 0.274 nan 8.270 nan 0.000 0.433 323 D N -0.080 120.342 120.400 0.036 0.000 2.460 323 D HA 0.134 4.798 4.640 0.040 0.000 0.229 323 D C -0.885 175.439 176.300 0.039 0.000 1.170 323 D CA 0.054 54.064 54.000 0.017 0.000 0.827 323 D CB 0.197 40.972 40.800 -0.043 0.000 0.973 323 D HN 0.033 nan 8.370 nan 0.000 0.496 324 L N 0.791 122.074 121.223 0.100 0.000 2.346 324 L HA 0.402 4.766 4.340 0.040 0.000 0.276 324 L C -0.918 176.043 176.870 0.152 0.000 1.006 324 L CA -0.479 54.442 54.840 0.135 0.000 0.817 324 L CB 1.893 44.070 42.059 0.196 0.000 1.272 324 L HN -0.261 nan 8.230 nan 0.000 0.421 325 Q N 2.990 122.901 119.800 0.184 0.000 2.333 325 Q HA 0.781 5.145 4.340 0.040 0.000 0.267 325 Q C -1.453 174.788 176.000 0.403 0.000 1.012 325 Q CA -0.430 55.524 55.803 0.253 0.000 0.824 325 Q CB 2.576 31.405 28.738 0.153 0.000 1.290 325 Q HN 0.478 nan 8.270 nan 0.000 0.449 326 V N 2.518 122.657 119.914 0.375 0.000 2.760 326 V HA 0.469 4.613 4.120 0.040 0.000 0.309 326 V C -1.440 174.645 176.094 -0.015 0.000 1.077 326 V CA -0.879 61.560 62.300 0.231 0.000 0.910 326 V CB 1.975 33.843 31.823 0.075 0.000 1.008 326 V HN 0.596 nan 8.190 nan 0.000 0.424 327 L N 6.723 127.702 121.223 -0.407 0.000 2.280 327 L HA 0.839 5.203 4.340 0.040 0.000 0.287 327 L C -0.377 176.364 176.870 -0.214 0.000 1.023 327 L CA -0.096 54.402 54.840 -0.571 0.000 0.819 327 L CB 1.512 42.757 42.059 -1.356 0.000 1.212 327 L HN 0.618 nan 8.230 nan 0.000 0.420 328 V N 2.243 122.100 119.914 -0.094 0.000 2.864 328 V HA 1.130 5.274 4.120 0.040 0.000 0.314 328 V C -0.078 175.819 176.094 -0.328 0.000 1.073 328 V CA 0.137 62.368 62.300 -0.115 0.000 0.956 328 V CB 1.190 32.918 31.823 -0.159 0.000 1.023 328 V HN 1.001 nan 8.190 nan 0.000 0.435 329 G N 0.991 109.477 108.800 -0.523 0.000 2.495 329 G HA2 0.750 4.735 3.960 0.040 0.000 0.294 329 G HA3 0.750 4.735 3.960 0.040 0.000 0.294 329 G C -1.203 173.411 174.900 -0.478 0.000 1.397 329 G CA 0.030 44.441 45.100 -1.149 0.000 0.790 329 G HN 2.021 nan 8.290 nan 0.000 0.486 330 V N -2.189 117.552 119.914 -0.289 0.000 3.102 330 V HA 0.927 5.071 4.120 0.040 0.000 0.312 330 V C 0.324 176.601 176.094 0.306 0.000 1.135 330 V CA -0.470 61.875 62.300 0.075 0.000 1.022 330 V CB 1.182 33.029 31.823 0.040 0.000 1.056 330 V HN 1.700 nan 8.190 nan 0.000 0.436 331 V N -0.222 119.898 119.914 0.344 0.000 3.234 331 V HA 0.572 4.716 4.120 0.040 0.000 0.317 331 V C 1.361 177.652 176.094 0.328 0.000 1.081 331 V CA -0.063 62.494 62.300 0.429 0.000 1.037 331 V CB 1.215 33.285 31.823 0.413 0.000 1.148 331 V HN 1.089 nan 8.190 nan 0.000 0.453 332 K N -0.509 120.083 120.400 0.320 0.000 2.217 332 K HA -0.004 4.340 4.320 0.040 0.000 0.202 332 K C 0.141 176.865 176.600 0.207 0.000 1.051 332 K CA 1.444 57.871 56.287 0.234 0.000 0.952 332 K CB 0.130 32.745 32.500 0.192 0.000 0.736 332 K HN 0.891 nan 8.250 nan 0.000 0.453 333 D N 1.237 121.768 120.400 0.218 0.000 2.613 333 D HA 0.031 4.695 4.640 0.040 0.000 0.312 333 D C 0.014 176.445 176.300 0.218 0.000 1.202 333 D CA -0.104 54.012 54.000 0.194 0.000 0.825 333 D CB 1.387 42.279 40.800 0.152 0.000 1.113 333 D HN 0.108 nan 8.370 nan 0.000 0.502 334 E N 0.594 120.938 120.200 0.239 0.000 2.118 334 E HA -0.120 4.254 4.350 0.040 0.000 0.195 334 E C 1.929 178.716 176.600 0.312 0.000 0.992 334 E CA 0.792 57.373 56.400 0.302 0.000 0.804 334 E CB 0.186 30.038 29.700 0.253 0.000 0.741 334 E HN 0.451 nan 8.360 nan 0.000 0.458 335 G N 0.820 109.760 108.800 0.233 0.000 2.683 335 G HA2 -0.141 3.844 3.960 0.040 0.000 0.213 335 G HA3 -0.141 3.844 3.960 0.040 0.000 0.213 335 G C 1.706 176.753 174.900 0.245 0.000 1.142 335 G CA 0.741 45.985 45.100 0.241 0.000 0.793 335 G HN 0.348 nan 8.290 nan 0.000 0.534 336 S N 1.537 117.341 115.700 0.173 0.000 2.370 336 S HA -0.016 4.478 4.470 0.040 0.000 0.226 336 S C 2.598 177.191 174.600 -0.012 0.000 1.033 336 S CA 1.517 59.788 58.200 0.119 0.000 1.011 336 S CB -0.574 62.640 63.200 0.025 0.000 0.852 336 S HN 0.496 nan 8.310 nan 0.000 0.457 337 A N 0.909 123.639 122.820 -0.149 0.000 1.972 337 A HA 0.135 4.479 4.320 0.040 0.000 0.219 337 A C 1.864 179.339 177.584 -0.182 0.000 1.169 337 A CA 1.221 53.043 52.037 -0.358 0.000 0.635 337 A CB -1.076 17.593 19.000 -0.552 0.000 0.810 337 A HN 0.560 nan 8.150 nan 0.000 0.446 338 F N -0.075 119.835 119.950 -0.066 0.000 2.451 338 F HA -0.005 4.545 4.527 0.039 0.000 0.299 338 F C 1.884 177.704 175.800 0.034 0.000 1.101 338 F CA 0.715 58.684 58.000 -0.053 0.000 1.436 338 F CB -0.243 38.667 39.000 -0.150 0.000 1.074 338 F HN 0.121 nan 8.300 nan 0.000 0.553 339 L N -0.397 120.897 121.223 0.118 0.000 2.131 339 L HA -0.108 4.256 4.340 0.040 0.000 0.206 339 L C 2.421 179.344 176.870 0.088 0.000 1.087 339 L CA 0.828 55.613 54.840 -0.091 0.000 0.767 339 L CB -0.698 41.026 42.059 -0.559 0.000 0.917 339 L HN 0.135 nan 8.230 nan 0.000 0.441 340 V N -4.304 115.736 119.914 0.209 0.000 3.141 340 V HA -0.163 3.981 4.120 0.040 0.000 0.265 340 V C 0.796 176.914 176.094 0.040 0.000 1.126 340 V CA 0.604 63.039 62.300 0.226 0.000 1.141 340 V CB -1.219 30.777 31.823 0.288 0.000 0.743 340 V HN 0.242 nan 8.190 nan 0.000 0.492 341 Y N 2.439 122.788 120.300 0.081 0.000 2.767 341 Y HA 0.634 5.208 4.550 0.040 0.000 0.354 341 Y C 1.567 177.493 175.900 0.045 0.000 1.292 341 Y CA 0.157 58.277 58.100 0.033 0.000 1.749 341 Y CB 0.075 38.532 38.460 -0.004 0.000 1.841 341 Y HN 0.383 nan 8.280 nan 0.000 0.454 342 G N -0.182 108.705 108.800 0.145 0.000 2.175 342 G HA2 -0.258 3.726 3.960 0.040 0.000 0.244 342 G HA3 -0.258 3.726 3.960 0.040 0.000 0.244 342 G C -0.232 174.762 174.900 0.158 0.000 0.982 342 G CA -0.069 45.115 45.100 0.141 0.000 0.641 342 G HN 0.279 nan 8.290 nan 0.000 0.527 343 V N 2.452 122.468 119.914 0.169 0.000 2.415 343 V HA 0.333 4.477 4.120 0.040 0.000 0.267 343 V C -1.369 174.913 176.094 0.314 0.000 1.042 343 V CA -1.169 61.248 62.300 0.195 0.000 1.000 343 V CB 0.904 32.776 31.823 0.081 0.000 1.015 343 V HN 0.138 nan 8.190 nan 0.000 0.478 344 P HA 0.252 nan 4.420 nan 0.000 0.265 344 P C 1.011 178.424 177.300 0.189 0.000 1.193 344 P CA 1.248 64.456 63.100 0.179 0.000 0.765 344 P CB 0.697 32.467 31.700 0.116 0.000 0.823 345 G N 1.231 110.074 108.800 0.072 0.000 2.218 345 G HA2 -0.203 3.781 3.960 0.040 0.000 0.216 345 G HA3 -0.203 3.781 3.960 0.040 0.000 0.216 345 G C -0.194 174.498 174.900 -0.347 0.000 0.994 345 G CA -0.599 44.408 45.100 -0.155 0.000 0.637 345 G HN 0.396 nan 8.290 nan 0.000 0.505 346 F N 1.347 121.310 119.950 0.022 0.000 2.450 346 F HA 0.819 5.370 4.527 0.039 0.000 0.332 346 F C 0.559 176.451 175.800 0.154 0.000 1.093 346 F CA -0.211 57.821 58.000 0.053 0.000 1.003 346 F CB 2.350 41.424 39.000 0.123 0.000 1.151 346 F HN 0.157 nan 8.300 nan 0.000 0.474 347 S N 1.139 117.084 115.700 0.409 0.000 2.547 347 S HA 0.267 4.761 4.470 0.040 0.000 0.270 347 S C 0.241 175.155 174.600 0.524 0.000 1.150 347 S CA -0.866 57.576 58.200 0.403 0.000 0.850 347 S CB 1.343 64.680 63.200 0.228 0.000 1.118 347 S HN 0.754 nan 8.310 nan 0.000 0.461 348 K N 1.281 121.891 120.400 0.350 0.000 2.288 348 K HA 0.091 4.435 4.320 0.040 0.000 0.201 348 K C 0.189 176.816 176.600 0.046 0.000 1.048 348 K CA 1.342 57.722 56.287 0.156 0.000 0.956 348 K CB -0.098 32.248 32.500 -0.256 0.000 0.746 348 K HN 0.421 nan 8.250 nan 0.000 0.461 349 D N 0.920 121.336 120.400 0.026 0.000 2.339 349 D HA 0.015 4.679 4.640 0.040 0.000 0.217 349 D C -0.312 176.019 176.300 0.050 0.000 1.050 349 D CA 0.272 54.260 54.000 -0.019 0.000 0.856 349 D CB 0.072 40.838 40.800 -0.057 0.000 0.922 349 D HN 0.498 nan 8.370 nan 0.000 0.518 350 N N -1.295 117.480 118.700 0.125 0.000 3.157 350 N HA 0.084 4.848 4.740 0.040 0.000 0.291 350 N C 0.344 175.921 175.510 0.113 0.000 1.515 350 N CA -0.557 52.541 53.050 0.079 0.000 0.807 350 N CB 0.787 39.275 38.487 0.001 0.000 1.672 350 N HN -0.386 nan 8.380 nan 0.000 0.592 351 E N -0.369 119.816 120.200 -0.025 0.000 2.482 351 E HA 0.011 4.385 4.350 0.040 0.000 0.196 351 E C -0.460 175.787 176.600 -0.588 0.000 1.047 351 E CA 0.354 56.664 56.400 -0.149 0.000 0.869 351 E CB -0.397 29.247 29.700 -0.094 0.000 0.836 351 E HN 0.580 nan 8.360 nan 0.000 0.520 352 S N 0.499 115.881 115.700 -0.529 0.000 3.559 352 S HA -0.183 4.311 4.470 0.040 0.000 0.369 352 S C 0.238 174.396 174.600 -0.736 0.000 0.987 352 S CA 0.196 57.944 58.200 -0.753 0.000 1.187 352 S CB -1.672 60.850 63.200 -1.129 0.000 0.914 352 S HN 0.289 nan 8.310 nan 0.000 0.480 353 L N 1.866 122.812 121.223 -0.461 0.000 2.369 353 L HA 0.434 4.798 4.340 0.040 0.000 0.279 353 L C 0.785 177.453 176.870 -0.336 0.000 1.108 353 L CA -0.175 54.457 54.840 -0.347 0.000 0.852 353 L CB 0.078 42.001 42.059 -0.227 0.000 1.169 353 L HN 0.444 nan 8.230 nan 0.000 0.452 354 I N 0.242 120.615 120.570 -0.328 0.000 2.676 354 I HA 0.620 4.814 4.170 0.040 0.000 0.309 354 I C 0.560 176.605 176.117 -0.119 0.000 0.990 354 I CA -0.585 60.562 61.300 -0.255 0.000 1.168 354 I CB 1.861 39.694 38.000 -0.277 0.000 1.343 354 I HN 0.565 nan 8.210 nan 0.000 0.482 355 S N 3.021 118.683 115.700 -0.064 0.000 2.652 355 S HA 0.373 4.867 4.470 0.040 0.000 0.270 355 S C 0.927 175.558 174.600 0.052 0.000 1.243 355 S CA -0.583 57.608 58.200 -0.015 0.000 0.999 355 S CB 1.728 64.923 63.200 -0.009 0.000 0.973 355 S HN 0.872 nan 8.310 nan 0.000 0.544 356 R N 0.781 121.316 120.500 0.058 0.000 2.083 356 R HA -0.132 4.232 4.340 0.040 0.000 0.237 356 R C 2.414 178.809 176.300 0.158 0.000 1.137 356 R CA 1.758 57.935 56.100 0.127 0.000 0.951 356 R CB -1.196 29.150 30.300 0.076 0.000 0.851 356 R HN 0.861 nan 8.270 nan 0.000 0.434 357 A N 0.608 123.482 122.820 0.090 0.000 1.873 357 A HA -0.284 4.060 4.320 0.040 0.000 0.218 357 A C 2.082 179.714 177.584 0.080 0.000 1.193 357 A CA 1.891 53.970 52.037 0.070 0.000 0.629 357 A CB -0.716 18.310 19.000 0.044 0.000 0.826 357 A HN 0.554 nan 8.150 nan 0.000 0.447 358 Q N -2.075 117.778 119.800 0.089 0.000 2.226 358 Q HA -0.147 4.217 4.340 0.040 0.000 0.204 358 Q C 1.835 177.949 176.000 0.190 0.000 0.975 358 Q CA 1.540 57.408 55.803 0.108 0.000 0.866 358 Q CB -0.266 28.508 28.738 0.061 0.000 0.915 358 Q HN 0.826 nan 8.270 nan 0.000 0.440 359 F N 0.733 120.716 119.950 0.055 0.000 2.098 359 F HA -0.156 4.398 4.527 0.046 0.000 0.294 359 F C 1.692 177.531 175.800 0.066 0.000 1.107 359 F CA 0.951 58.996 58.000 0.074 0.000 1.234 359 F CB 0.052 39.081 39.000 0.048 0.000 1.002 359 F HN -0.063 nan 8.300 nan 0.000 0.472 360 L N 0.583 121.706 121.223 -0.167 0.000 2.042 360 L HA -0.191 4.173 4.340 0.040 0.000 0.210 360 L C 2.840 179.617 176.870 -0.154 0.000 1.076 360 L CA 1.196 55.894 54.840 -0.236 0.000 0.749 360 L CB -1.671 40.349 42.059 -0.065 0.000 0.893 360 L HN 0.243 nan 8.230 nan 0.000 0.432 361 A N 0.951 123.739 122.820 -0.053 0.000 1.883 361 A HA -0.134 4.210 4.320 0.040 0.000 0.217 361 A C 2.468 180.041 177.584 -0.018 0.000 1.186 361 A CA 1.877 53.905 52.037 -0.015 0.000 0.624 361 A CB -1.453 17.564 19.000 0.028 0.000 0.822 361 A HN 0.447 nan 8.150 nan 0.000 0.444 362 G N -0.856 107.944 108.800 -0.000 0.000 2.448 362 G HA2 -0.072 3.912 3.960 0.040 0.000 0.219 362 G HA3 -0.072 3.912 3.960 0.040 0.000 0.219 362 G C 1.436 176.301 174.900 -0.060 0.000 1.127 362 G CA 1.207 46.322 45.100 0.025 0.000 0.766 362 G HN 0.338 nan 8.290 nan 0.000 0.552 363 V N 0.896 120.701 119.914 -0.183 0.000 2.379 363 V HA -0.085 4.059 4.120 0.040 0.000 0.245 363 V C 2.896 178.936 176.094 -0.089 0.000 1.044 363 V CA 1.367 63.555 62.300 -0.186 0.000 1.036 363 V CB -0.331 31.288 31.823 -0.339 0.000 0.664 363 V HN 0.215 nan 8.190 nan 0.000 0.453 364 R N 0.013 120.468 120.500 -0.075 0.000 2.120 364 R HA -0.006 4.358 4.340 0.040 0.000 0.234 364 R C 1.990 178.277 176.300 -0.022 0.000 1.123 364 R CA 1.365 57.441 56.100 -0.039 0.000 0.975 364 R CB -0.809 29.473 30.300 -0.030 0.000 0.866 364 R HN 0.465 nan 8.270 nan 0.000 0.446 365 I N -0.498 120.064 120.570 -0.014 0.000 2.584 365 I HA -0.038 4.156 4.170 0.040 0.000 0.255 365 I C 2.202 178.321 176.117 0.003 0.000 1.145 365 I CA 1.028 62.332 61.300 0.005 0.000 1.462 365 I CB -0.262 37.755 38.000 0.029 0.000 1.102 365 I HN 0.184 nan 8.210 nan 0.000 0.433 366 G N 0.285 109.078 108.800 -0.010 0.000 2.408 366 G HA2 -0.029 3.956 3.960 0.040 0.000 0.215 366 G HA3 -0.029 3.956 3.960 0.040 0.000 0.215 366 G C 0.828 175.727 174.900 -0.002 0.000 1.156 366 G CA 0.310 45.404 45.100 -0.010 0.000 0.793 366 G HN 0.199 nan 8.290 nan 0.000 0.535 367 V N 2.495 122.395 119.914 -0.023 0.000 2.233 367 V HA 0.225 4.369 4.120 0.040 0.000 0.261 367 V C -1.417 174.672 176.094 -0.009 0.000 1.076 367 V CA -1.173 61.099 62.300 -0.047 0.000 1.001 367 V CB 1.373 33.163 31.823 -0.054 0.000 1.206 367 V HN 0.111 nan 8.190 nan 0.000 0.468 368 P HA -0.170 nan 4.420 nan 0.000 0.222 368 P C 1.253 178.550 177.300 -0.005 0.000 1.147 368 P CA 1.053 64.152 63.100 -0.002 0.000 0.790 368 P CB 0.384 32.081 31.700 -0.004 0.000 0.780 369 Q N -0.344 119.461 119.800 0.008 0.000 2.403 369 Q HA 0.177 4.541 4.340 0.040 0.000 0.203 369 Q C 0.540 176.533 176.000 -0.011 0.000 0.932 369 Q CA 0.021 55.824 55.803 -0.000 0.000 0.945 369 Q CB -0.457 28.290 28.738 0.014 0.000 1.045 369 Q HN 0.029 nan 8.270 nan 0.000 0.511 370 A N 1.979 124.792 122.820 -0.012 0.000 2.401 370 A HA 0.431 4.775 4.320 0.040 0.000 0.259 370 A C 0.494 178.066 177.584 -0.020 0.000 1.103 370 A CA 0.010 52.037 52.037 -0.018 0.000 0.789 370 A CB 0.417 19.411 19.000 -0.009 0.000 1.035 370 A HN 0.515 nan 8.150 nan 0.000 0.491 371 S N 1.632 117.317 115.700 -0.026 0.000 2.626 371 S HA 0.123 4.617 4.470 0.040 0.000 0.257 371 S C 0.407 175.000 174.600 -0.010 0.000 1.288 371 S CA 0.145 58.332 58.200 -0.021 0.000 0.980 371 S CB 0.342 63.525 63.200 -0.029 0.000 0.975 371 S HN 0.626 nan 8.310 nan 0.000 0.577 372 D N 0.011 120.407 120.400 -0.006 0.000 2.117 372 D HA -0.074 4.590 4.640 0.040 0.000 0.197 372 D C 1.747 178.056 176.300 0.016 0.000 0.987 372 D CA 0.930 54.933 54.000 0.004 0.000 0.829 372 D CB -0.471 40.332 40.800 0.005 0.000 0.961 372 D HN 0.414 nan 8.370 nan 0.000 0.460 373 L N 0.714 121.946 121.223 0.015 0.000 2.056 373 L HA -0.012 4.352 4.340 0.040 0.000 0.207 373 L C 2.097 178.996 176.870 0.048 0.000 1.078 373 L CA 1.623 56.483 54.840 0.033 0.000 0.749 373 L CB -0.700 41.372 42.059 0.021 0.000 0.901 373 L HN -0.029 nan 8.230 nan 0.000 0.433 374 A N -0.666 122.165 122.820 0.019 0.000 1.972 374 A HA -0.065 4.279 4.320 0.040 0.000 0.219 374 A C 2.409 180.034 177.584 0.069 0.000 1.169 374 A CA 1.619 53.672 52.037 0.027 0.000 0.635 374 A CB -1.004 17.974 19.000 -0.038 0.000 0.810 374 A HN 0.546 nan 8.150 nan 0.000 0.446 375 A N -0.264 122.579 122.820 0.038 0.000 1.897 375 A HA -0.072 4.272 4.320 0.040 0.000 0.215 375 A C 1.951 179.562 177.584 0.043 0.000 1.181 375 A CA 1.918 53.971 52.037 0.027 0.000 0.620 375 A CB -0.423 18.574 19.000 -0.004 0.000 0.821 375 A HN 0.542 nan 8.150 nan 0.000 0.443 376 E N 0.470 120.707 120.200 0.060 0.000 2.077 376 E HA -0.078 4.296 4.350 0.040 0.000 0.193 376 E C 1.968 178.644 176.600 0.126 0.000 0.989 376 E CA 1.580 58.033 56.400 0.089 0.000 0.800 376 E CB -0.438 29.311 29.700 0.082 0.000 0.746 376 E HN 0.460 nan 8.360 nan 0.000 0.452 377 A N 0.128 123.034 122.820 0.144 0.000 1.883 377 A HA -0.178 4.166 4.320 0.040 0.000 0.217 377 A C 2.514 180.141 177.584 0.070 0.000 1.186 377 A CA 1.845 53.992 52.037 0.183 0.000 0.624 377 A CB -0.944 18.274 19.000 0.363 0.000 0.822 377 A HN 0.210 nan 8.150 nan 0.000 0.444 378 V N -0.484 119.483 119.914 0.088 0.000 2.261 378 V HA -0.242 3.902 4.120 0.040 0.000 0.246 378 V C 2.587 178.813 176.094 0.220 0.000 1.047 378 V CA 1.994 64.320 62.300 0.043 0.000 1.015 378 V CB -0.874 31.014 31.823 0.108 0.000 0.642 378 V HN 0.370 nan 8.190 nan 0.000 0.446 379 V N -0.086 119.927 119.914 0.166 0.000 2.282 379 V HA -0.298 3.846 4.120 0.040 0.000 0.249 379 V C 2.323 178.645 176.094 0.381 0.000 1.057 379 V CA 2.253 64.712 62.300 0.264 0.000 1.032 379 V CB -0.553 31.348 31.823 0.130 0.000 0.645 379 V HN 0.451 nan 8.190 nan 0.000 0.447 380 L N -0.737 120.682 121.223 0.327 0.000 2.083 380 L HA -0.208 4.156 4.340 0.040 0.000 0.209 380 L C 2.542 179.648 176.870 0.394 0.000 1.083 380 L CA 2.110 57.224 54.840 0.456 0.000 0.752 380 L CB -0.853 41.398 42.059 0.320 0.000 0.899 380 L HN 0.474 nan 8.230 nan 0.000 0.433 381 H N -0.917 118.196 119.070 0.072 0.000 2.423 381 H HA -0.170 4.413 4.556 0.044 0.000 0.297 381 H C 1.570 176.809 175.328 -0.148 0.000 1.075 381 H CA 1.696 57.654 56.048 -0.149 0.000 1.342 381 H CB 0.135 29.549 29.762 -0.581 0.000 1.395 381 H HN 0.264 nan 8.280 nan 0.000 0.530 382 Y N -0.514 119.841 120.300 0.092 0.000 2.449 382 Y HA 0.193 4.766 4.550 0.039 0.000 0.254 382 Y C 0.633 176.488 175.900 -0.075 0.000 1.140 382 Y CA 0.038 58.182 58.100 0.073 0.000 1.272 382 Y CB 0.536 39.170 38.460 0.290 0.000 1.114 382 Y HN 0.008 nan 8.280 nan 0.000 0.525 383 T N 1.261 115.808 114.554 -0.012 0.000 2.901 383 T HA -0.002 4.372 4.350 0.040 0.000 0.301 383 T C -0.423 173.918 174.700 -0.598 0.000 1.012 383 T CA -0.283 61.553 62.100 -0.440 0.000 1.135 383 T CB 0.400 68.788 68.868 -0.799 0.000 0.936 383 T HN 0.085 nan 8.240 nan 0.000 0.539 384 D N 1.783 121.849 120.400 -0.558 0.000 2.339 384 D HA 0.135 4.799 4.640 0.040 0.000 0.241 384 D C -0.058 175.941 176.300 -0.502 0.000 1.183 384 D CA -0.632 53.101 54.000 -0.445 0.000 0.859 384 D CB 0.408 40.937 40.800 -0.452 0.000 1.067 384 D HN 0.583 nan 8.370 nan 0.000 0.484 385 W N 3.085 124.322 121.300 -0.105 0.000 2.937 385 W HA 0.155 4.837 4.660 0.035 0.000 0.245 385 W C 1.642 178.097 176.519 -0.108 0.000 1.306 385 W CA -0.279 57.015 57.345 -0.085 0.000 1.470 385 W CB 0.004 29.420 29.460 -0.074 0.000 1.132 385 W HN 0.436 nan 8.180 nan 0.000 0.675 386 L N -1.469 119.742 121.223 -0.020 0.000 2.202 386 L HA 0.013 4.377 4.340 0.040 0.000 0.205 386 L C 0.198 176.857 176.870 -0.351 0.000 1.083 386 L CA 1.039 55.796 54.840 -0.139 0.000 0.790 386 L CB -0.157 41.832 42.059 -0.117 0.000 0.942 386 L HN -0.078 nan 8.230 nan 0.000 0.452 387 H N -1.435 117.572 119.070 -0.105 0.000 2.569 387 H HA 0.174 4.738 4.556 0.013 0.000 0.247 387 H C -1.881 173.342 175.328 -0.175 0.000 1.346 387 H CA -1.387 54.604 56.048 -0.096 0.000 1.502 387 H CB 0.879 30.616 29.762 -0.041 0.000 1.512 387 H HN -0.088 nan 8.280 nan 0.000 0.502 388 P HA -0.125 nan 4.420 nan 0.000 0.221 388 P C 0.837 178.037 177.300 -0.165 0.000 1.150 388 P CA 1.078 64.016 63.100 -0.270 0.000 0.800 388 P CB 0.568 32.127 31.700 -0.235 0.000 0.787 389 E N -0.764 119.404 120.200 -0.054 0.000 2.476 389 E HA 0.026 4.400 4.350 0.040 0.000 0.196 389 E C -0.112 176.473 176.600 -0.024 0.000 1.029 389 E CA 0.011 56.393 56.400 -0.030 0.000 0.896 389 E CB -0.096 29.606 29.700 0.002 0.000 1.012 389 E HN 0.245 nan 8.360 nan 0.000 0.475 390 D N 1.775 122.171 120.400 -0.007 0.000 2.339 390 D HA 0.032 4.696 4.640 0.040 0.000 0.256 390 D C -1.757 174.513 176.300 -0.051 0.000 1.214 390 D CA -2.045 51.950 54.000 -0.009 0.000 0.877 390 D CB 1.439 42.281 40.800 0.069 0.000 1.111 390 D HN -0.167 nan 8.370 nan 0.000 0.478 391 P HA -0.067 nan 4.420 nan 0.000 0.219 391 P C 1.099 178.310 177.300 -0.148 0.000 1.150 391 P CA 0.835 63.862 63.100 -0.123 0.000 0.814 391 P CB 0.270 31.891 31.700 -0.131 0.000 0.787 392 T N -1.677 112.780 114.554 -0.162 0.000 2.777 392 T HA -0.140 4.234 4.350 0.040 0.000 0.266 392 T C 1.514 176.105 174.700 -0.183 0.000 1.040 392 T CA 1.459 63.442 62.100 -0.196 0.000 1.141 392 T CB -0.952 67.767 68.868 -0.247 0.000 0.868 392 T HN 0.299 nan 8.240 nan 0.000 0.444 393 H N 0.459 119.470 119.070 -0.098 0.000 2.357 393 H HA 0.142 4.715 4.556 0.029 0.000 0.301 393 H C 2.192 177.424 175.328 -0.159 0.000 1.082 393 H CA 0.980 56.968 56.048 -0.100 0.000 1.342 393 H CB -0.211 29.483 29.762 -0.113 0.000 1.389 393 H HN 0.156 nan 8.280 nan 0.000 0.511 394 L N 0.253 121.410 121.223 -0.111 0.000 2.042 394 L HA -0.212 4.152 4.340 0.040 0.000 0.210 394 L C 2.769 179.579 176.870 -0.100 0.000 1.076 394 L CA 1.131 55.797 54.840 -0.291 0.000 0.749 394 L CB -0.316 41.596 42.059 -0.246 0.000 0.893 394 L HN 0.275 nan 8.230 nan 0.000 0.432 395 R N 0.497 120.981 120.500 -0.027 0.000 2.070 395 R HA -0.186 4.178 4.340 0.040 0.000 0.232 395 R C 1.780 178.195 176.300 0.192 0.000 1.138 395 R CA 2.206 58.367 56.100 0.102 0.000 0.936 395 R CB -0.482 29.746 30.300 -0.120 0.000 0.839 395 R HN 0.361 nan 8.270 nan 0.000 0.429 396 D N 0.429 120.903 120.400 0.124 0.000 2.149 396 D HA -0.138 4.526 4.640 0.040 0.000 0.198 396 D C 1.720 178.133 176.300 0.188 0.000 0.990 396 D CA 1.438 55.546 54.000 0.179 0.000 0.839 396 D CB -0.212 40.676 40.800 0.146 0.000 0.948 396 D HN 0.398 nan 8.370 nan 0.000 0.460 397 A N 0.733 123.634 122.820 0.135 0.000 1.930 397 A HA -0.143 4.201 4.320 0.040 0.000 0.217 397 A C 2.144 179.843 177.584 0.192 0.000 1.175 397 A CA 1.365 53.502 52.037 0.166 0.000 0.627 397 A CB -0.438 18.565 19.000 0.004 0.000 0.815 397 A HN 0.115 nan 8.150 nan 0.000 0.443 398 M N 0.108 119.865 119.600 0.262 0.000 2.080 398 M HA -0.122 4.382 4.480 0.040 0.000 0.260 398 M C 2.324 178.700 176.300 0.127 0.000 1.068 398 M CA 2.225 57.705 55.300 0.300 0.000 1.109 398 M CB -0.648 32.186 32.600 0.389 0.000 1.342 398 M HN 0.413 nan 8.290 nan 0.000 0.405 399 S N -0.433 115.360 115.700 0.153 0.000 2.370 399 S HA -0.106 4.388 4.470 0.040 0.000 0.226 399 S C 2.021 176.701 174.600 0.134 0.000 1.033 399 S CA 1.595 59.886 58.200 0.152 0.000 1.011 399 S CB -0.574 62.776 63.200 0.249 0.000 0.852 399 S HN 0.622 nan 8.310 nan 0.000 0.457 400 A N 0.650 123.566 122.820 0.159 0.000 1.930 400 A HA 0.065 4.409 4.320 0.040 0.000 0.217 400 A C 2.344 179.972 177.584 0.073 0.000 1.175 400 A CA 1.507 53.660 52.037 0.193 0.000 0.627 400 A CB -0.951 18.262 19.000 0.355 0.000 0.815 400 A HN 0.449 nan 8.150 nan 0.000 0.443 401 V N -0.389 119.434 119.914 -0.152 0.000 2.287 401 V HA -0.244 3.900 4.120 0.040 0.000 0.248 401 V C 2.578 178.579 176.094 -0.154 0.000 1.053 401 V CA 2.164 64.309 62.300 -0.258 0.000 1.027 401 V CB -0.648 31.032 31.823 -0.239 0.000 0.646 401 V HN 0.382 nan 8.190 nan 0.000 0.447 402 V N 0.491 120.350 119.914 -0.092 0.000 2.379 402 V HA -0.110 4.034 4.120 0.040 0.000 0.245 402 V C 2.581 178.568 176.094 -0.177 0.000 1.044 402 V CA 2.024 64.254 62.300 -0.118 0.000 1.036 402 V CB -1.237 30.564 31.823 -0.036 0.000 0.664 402 V HN 0.606 nan 8.190 nan 0.000 0.453 403 G N -0.143 108.621 108.800 -0.060 0.000 2.421 403 G HA2 -0.240 3.744 3.960 0.040 0.000 0.216 403 G HA3 -0.240 3.744 3.960 0.040 0.000 0.216 403 G C 1.221 176.056 174.900 -0.108 0.000 1.171 403 G CA 1.080 46.165 45.100 -0.026 0.000 0.775 403 G HN 0.501 nan 8.290 nan 0.000 0.543 404 D N -0.263 120.078 120.400 -0.097 0.000 2.097 404 D HA -0.084 4.580 4.640 0.040 0.000 0.195 404 D C 2.112 178.096 176.300 -0.526 0.000 0.989 404 D CA 1.286 55.189 54.000 -0.161 0.000 0.827 404 D CB -0.528 40.333 40.800 0.102 0.000 0.966 404 D HN 0.403 nan 8.370 nan 0.000 0.456 405 H N 0.777 119.250 119.070 -0.995 0.000 2.353 405 H HA 0.019 4.599 4.556 0.040 0.000 0.300 405 H C 1.461 176.403 175.328 -0.644 0.000 1.090 405 H CA 1.644 56.950 56.048 -1.237 0.000 1.327 405 H CB 0.085 29.045 29.762 -1.335 0.000 1.383 405 H HN 0.011 nan 8.280 nan 0.000 0.508 406 N N -0.899 117.378 118.700 -0.705 0.000 2.432 406 N HA 0.008 4.772 4.740 0.040 0.000 0.174 406 N C 1.334 176.604 175.510 -0.400 0.000 1.037 406 N CA 1.077 53.648 53.050 -0.798 0.000 0.892 406 N CB 0.986 38.469 38.487 -1.673 0.000 1.049 406 N HN 0.256 nan 8.380 nan 0.000 0.442 407 V N -0.094 119.652 119.914 -0.281 0.000 3.264 407 V HA 0.056 4.200 4.120 0.040 0.000 0.217 407 V C 2.275 178.335 176.094 -0.057 0.000 1.236 407 V CA 0.218 62.487 62.300 -0.052 0.000 1.287 407 V CB -0.387 31.486 31.823 0.083 0.000 1.241 407 V HN -0.175 nan 8.190 nan 0.000 0.518 408 V N 0.339 120.222 119.914 -0.051 0.000 2.231 408 V HA -0.340 3.804 4.120 0.040 0.000 0.248 408 V C 2.530 178.595 176.094 -0.049 0.000 1.054 408 V CA 2.731 65.010 62.300 -0.035 0.000 1.015 408 V CB -0.930 30.899 31.823 0.010 0.000 0.638 408 V HN 0.688 nan 8.190 nan 0.000 0.444 409 c N -0.494 118.076 118.600 -0.050 0.000 2.450 409 c HA 0.012 4.606 4.570 0.040 0.000 0.279 409 c C 0.521 174.592 174.090 -0.033 0.000 1.335 409 c CA 0.807 57.139 56.329 0.005 0.000 1.749 409 c CB -1.808 40.756 42.510 0.090 0.000 1.963 409 c HN 0.471 nan 8.230 nan 0.000 0.501 410 P HA -0.054 nan 4.420 nan 0.000 0.217 410 P C 1.801 179.040 177.300 -0.100 0.000 1.150 410 P CA 1.254 64.288 63.100 -0.110 0.000 0.832 410 P CB -0.154 31.447 31.700 -0.165 0.000 0.787 411 V N 0.319 120.174 119.914 -0.097 0.000 2.295 411 V HA -0.273 3.871 4.120 0.040 0.000 0.246 411 V C 2.459 178.453 176.094 -0.167 0.000 1.049 411 V CA 2.333 64.558 62.300 -0.125 0.000 1.024 411 V CB -1.700 30.050 31.823 -0.122 0.000 0.648 411 V HN 0.099 nan 8.190 nan 0.000 0.447 412 A N -0.430 122.312 122.820 -0.130 0.000 1.902 412 A HA -0.324 4.021 4.320 0.040 0.000 0.217 412 A C 2.201 179.746 177.584 -0.064 0.000 1.181 412 A CA 2.281 54.248 52.037 -0.116 0.000 0.623 412 A CB -0.541 18.451 19.000 -0.013 0.000 0.818 412 A HN 0.617 nan 8.150 nan 0.000 0.443 413 Q N -0.596 119.182 119.800 -0.037 0.000 2.050 413 Q HA -0.153 4.211 4.340 0.040 0.000 0.202 413 Q C 1.911 177.884 176.000 -0.044 0.000 0.980 413 Q CA 1.932 57.726 55.803 -0.015 0.000 0.840 413 Q CB -0.435 28.293 28.738 -0.018 0.000 0.898 413 Q HN 0.524 nan 8.270 nan 0.000 0.424 414 L N 0.281 121.449 121.223 -0.092 0.000 2.017 414 L HA -0.040 4.324 4.340 0.040 0.000 0.208 414 L C 2.238 179.026 176.870 -0.137 0.000 1.073 414 L CA 2.247 57.015 54.840 -0.120 0.000 0.745 414 L CB -1.008 40.968 42.059 -0.138 0.000 0.894 414 L HN 0.311 nan 8.230 nan 0.000 0.432 415 A N -0.362 122.340 122.820 -0.196 0.000 1.883 415 A HA -0.129 4.215 4.320 0.040 0.000 0.217 415 A C 2.351 179.926 177.584 -0.016 0.000 1.186 415 A CA 1.768 53.638 52.037 -0.280 0.000 0.624 415 A CB -1.726 16.815 19.000 -0.766 0.000 0.822 415 A HN 0.558 nan 8.150 nan 0.000 0.444 416 G N -0.641 108.221 108.800 0.104 0.000 2.446 416 G HA2 -0.236 3.748 3.960 0.040 0.000 0.217 416 G HA3 -0.236 3.748 3.960 0.040 0.000 0.217 416 G C 1.745 176.724 174.900 0.132 0.000 1.168 416 G CA 0.882 46.139 45.100 0.260 0.000 0.771 416 G HN 0.484 nan 8.290 nan 0.000 0.551 417 R N -0.504 120.029 120.500 0.055 0.000 2.062 417 R HA 0.088 4.453 4.340 0.040 0.000 0.229 417 R C 2.537 178.861 176.300 0.041 0.000 1.128 417 R CA 0.406 56.537 56.100 0.051 0.000 0.960 417 R CB -0.984 29.338 30.300 0.036 0.000 0.855 417 R HN 0.273 nan 8.270 nan 0.000 0.432 418 L N 1.146 122.324 121.223 -0.075 0.000 2.013 418 L HA -0.173 4.191 4.340 0.040 0.000 0.212 418 L C 2.566 179.456 176.870 0.033 0.000 1.073 418 L CA 2.099 56.851 54.840 -0.147 0.000 0.753 418 L CB -1.267 40.639 42.059 -0.255 0.000 0.890 418 L HN 0.180 nan 8.230 nan 0.000 0.432 419 A N -1.060 121.805 122.820 0.074 0.000 1.902 419 A HA -0.127 4.217 4.320 0.040 0.000 0.217 419 A C 2.437 180.073 177.584 0.087 0.000 1.181 419 A CA 1.754 53.850 52.037 0.097 0.000 0.623 419 A CB -0.873 18.220 19.000 0.154 0.000 0.818 419 A HN 0.415 nan 8.150 nan 0.000 0.443 420 A N -1.212 121.664 122.820 0.094 0.000 2.019 420 A HA -0.113 4.231 4.320 0.040 0.000 0.219 420 A C 1.817 179.460 177.584 0.099 0.000 1.164 420 A CA 1.553 53.640 52.037 0.083 0.000 0.644 420 A CB -0.280 18.768 19.000 0.080 0.000 0.805 420 A HN 0.596 nan 8.150 nan 0.000 0.449 421 Q N -1.697 118.194 119.800 0.152 0.000 2.201 421 Q HA 0.391 4.755 4.340 0.040 0.000 0.236 421 Q C 0.798 176.909 176.000 0.184 0.000 0.857 421 Q CA 0.420 56.334 55.803 0.187 0.000 1.025 421 Q CB 0.441 29.360 28.738 0.301 0.000 1.124 421 Q HN 0.778 nan 8.270 nan 0.000 0.473 422 G N -0.429 108.450 108.800 0.131 0.000 2.175 422 G HA2 -0.286 3.698 3.960 0.040 0.000 0.244 422 G HA3 -0.286 3.698 3.960 0.040 0.000 0.244 422 G C 0.305 175.276 174.900 0.118 0.000 0.982 422 G CA -0.108 45.054 45.100 0.103 0.000 0.641 422 G HN 0.551 nan 8.290 nan 0.000 0.527 423 A N -0.115 122.793 122.820 0.147 0.000 2.366 423 A HA 0.724 5.068 4.320 0.040 0.000 0.249 423 A C 0.688 178.312 177.584 0.066 0.000 1.084 423 A CA 0.502 52.610 52.037 0.117 0.000 0.794 423 A CB 0.383 19.432 19.000 0.081 0.000 1.034 423 A HN 0.762 nan 8.150 nan 0.000 0.491 424 R N 1.162 121.701 120.500 0.065 0.000 2.255 424 R HA 0.553 4.918 4.340 0.040 0.000 0.326 424 R C -1.694 174.602 176.300 -0.006 0.000 0.986 424 R CA -0.210 55.896 56.100 0.011 0.000 0.847 424 R CB 0.774 31.114 30.300 0.067 0.000 1.111 424 R HN 0.476 nan 8.270 nan 0.000 0.452 425 V N 5.493 125.317 119.914 -0.150 0.000 2.656 425 V HA 0.430 4.574 4.120 0.040 0.000 0.307 425 V C -1.286 174.627 176.094 -0.302 0.000 1.051 425 V CA -0.789 61.455 62.300 -0.093 0.000 0.893 425 V CB 1.769 33.603 31.823 0.019 0.000 0.999 425 V HN 0.672 nan 8.190 nan 0.000 0.426 426 Y N 2.169 122.440 120.300 -0.049 0.000 2.376 426 Y HA 0.798 5.371 4.550 0.040 0.000 0.340 426 Y C 0.318 176.299 175.900 0.134 0.000 0.965 426 Y CA -0.521 57.542 58.100 -0.063 0.000 1.078 426 Y CB 2.227 40.301 38.460 -0.644 0.000 1.193 426 Y HN 0.768 nan 8.280 nan 0.000 0.452 427 A N 3.199 126.374 122.820 0.592 0.000 2.380 427 A HA 0.875 5.219 4.320 0.040 0.000 0.315 427 A C -1.777 176.195 177.584 0.646 0.000 1.101 427 A CA -0.687 51.590 52.037 0.401 0.000 0.771 427 A CB 0.987 20.048 19.000 0.103 0.000 1.287 427 A HN 0.747 nan 8.150 nan 0.000 0.436 428 Y N -0.611 119.933 120.300 0.406 0.000 2.609 428 Y HA 0.798 5.372 4.550 0.039 0.000 0.342 428 Y C -1.073 175.000 175.900 0.288 0.000 1.058 428 Y CA -1.620 56.675 58.100 0.324 0.000 1.055 428 Y CB 1.309 39.961 38.460 0.320 0.000 1.292 428 Y HN 0.688 nan 8.280 nan 0.000 0.476 429 I N 2.886 123.768 120.570 0.520 0.000 2.465 429 I HA 0.474 4.668 4.170 0.040 0.000 0.291 429 I C -1.834 174.628 176.117 0.575 0.000 1.014 429 I CA -1.065 60.509 61.300 0.458 0.000 1.093 429 I CB 1.193 39.389 38.000 0.326 0.000 1.267 429 I HN 0.736 nan 8.210 nan 0.000 0.431 430 F N 7.282 127.519 119.950 0.477 0.000 2.361 430 F HA 0.404 4.955 4.527 0.041 0.000 0.364 430 F C 0.522 176.480 175.800 0.264 0.000 1.120 430 F CA -0.017 58.206 58.000 0.372 0.000 1.102 430 F CB 0.875 40.112 39.000 0.395 0.000 1.183 430 F HN 0.545 nan 8.300 nan 0.000 0.476 431 E N 3.227 123.315 120.200 -0.187 0.000 2.603 431 E HA -0.011 4.364 4.350 0.040 0.000 0.211 431 E C -0.790 175.692 176.600 -0.197 0.000 0.995 431 E CA -0.167 56.186 56.400 -0.079 0.000 0.990 431 E CB 0.261 29.944 29.700 -0.028 0.000 1.036 431 E HN 0.534 nan 8.360 nan 0.000 0.475 432 H N 1.161 119.874 119.070 -0.594 0.000 2.517 432 H HA 0.259 4.839 4.556 0.040 0.000 0.317 432 H C -0.495 174.797 175.328 -0.060 0.000 1.080 432 H CA -0.504 55.263 56.048 -0.468 0.000 1.301 432 H CB 0.616 29.845 29.762 -0.887 0.000 1.425 432 H HN -0.148 nan 8.280 nan 0.000 0.471 433 R N 4.013 124.157 120.500 -0.594 0.000 2.221 433 R HA 0.493 4.857 4.340 0.040 0.000 0.327 433 R C -0.645 175.429 176.300 -0.377 0.000 1.033 433 R CA -0.691 55.241 56.100 -0.280 0.000 0.887 433 R CB 0.423 30.623 30.300 -0.166 0.000 1.057 433 R HN 0.814 nan 8.270 nan 0.000 0.455 434 A N 3.106 126.022 122.820 0.160 0.000 2.548 434 A HA 0.006 4.350 4.320 0.040 0.000 0.247 434 A C 1.416 179.099 177.584 0.166 0.000 1.067 434 A CA 0.517 52.818 52.037 0.440 0.000 0.757 434 A CB 0.316 19.666 19.000 0.584 0.000 0.996 434 A HN 1.036 nan 8.150 nan 0.000 0.504 435 S N 2.004 117.826 115.700 0.202 0.000 2.402 435 S HA -0.216 4.278 4.470 0.040 0.000 0.233 435 S C 1.527 176.108 174.600 -0.032 0.000 1.030 435 S CA 1.968 60.208 58.200 0.067 0.000 1.003 435 S CB -1.055 62.203 63.200 0.097 0.000 0.813 435 S HN 1.310 nan 8.310 nan 0.000 0.477 436 T N -0.892 113.601 114.554 -0.103 0.000 3.113 436 T HA 0.282 4.657 4.350 0.040 0.000 0.256 436 T C 0.510 175.122 174.700 -0.146 0.000 1.131 436 T CA -0.341 61.629 62.100 -0.217 0.000 1.074 436 T CB -0.617 67.960 68.868 -0.485 0.000 0.944 436 T HN 0.267 nan 8.240 nan 0.000 0.516 437 L N 3.631 124.812 121.223 -0.070 0.000 2.485 437 L HA 0.228 4.592 4.340 0.040 0.000 0.275 437 L C 1.636 178.442 176.870 -0.107 0.000 1.207 437 L CA 0.862 55.654 54.840 -0.080 0.000 0.855 437 L CB 0.883 42.908 42.059 -0.056 0.000 1.114 437 L HN 0.426 nan 8.230 nan 0.000 0.485 438 T N -1.100 113.347 114.554 -0.177 0.000 3.022 438 T HA 0.124 4.498 4.350 0.040 0.000 0.250 438 T C 0.309 174.976 174.700 -0.055 0.000 1.060 438 T CA -0.472 61.522 62.100 -0.177 0.000 1.013 438 T CB -0.292 68.349 68.868 -0.379 0.000 0.982 438 T HN 0.390 nan 8.240 nan 0.000 0.508 439 W N 3.512 124.814 121.300 0.003 0.000 2.150 439 W HA 0.423 5.106 4.660 0.040 0.000 0.341 439 W C -1.922 174.497 176.519 -0.166 0.000 1.276 439 W CA -2.148 55.164 57.345 -0.056 0.000 1.238 439 W CB 0.175 29.526 29.460 -0.183 0.000 1.128 439 W HN -0.021 nan 8.180 nan 0.000 0.581 440 P HA 0.018 nan 4.420 nan 0.000 0.273 440 P C 0.415 177.632 177.300 -0.139 0.000 1.250 440 P CA 0.040 63.099 63.100 -0.069 0.000 0.793 440 P CB 0.873 32.545 31.700 -0.046 0.000 1.011 441 L N -0.233 120.975 121.223 -0.025 0.000 2.141 441 L HA -0.091 4.273 4.340 0.040 0.000 0.209 441 L C 2.621 179.510 176.870 0.031 0.000 1.094 441 L CA 1.206 56.047 54.840 0.003 0.000 0.763 441 L CB -0.990 41.097 42.059 0.047 0.000 0.908 441 L HN 0.591 nan 8.230 nan 0.000 0.437 442 W N -0.297 121.037 121.300 0.057 0.000 2.421 442 W HA -0.163 4.520 4.660 0.039 0.000 0.270 442 W C 1.612 178.180 176.519 0.082 0.000 1.233 442 W CA 0.567 57.950 57.345 0.063 0.000 1.226 442 W CB -0.749 28.751 29.460 0.067 0.000 1.121 442 W HN 0.200 nan 8.180 nan 0.000 0.579 443 M N 1.326 120.616 119.600 -0.516 0.000 2.618 443 M HA 0.125 4.629 4.480 0.040 0.000 0.240 443 M C 1.988 178.198 176.300 -0.150 0.000 1.123 443 M CA 1.176 56.161 55.300 -0.525 0.000 1.060 443 M CB -0.691 31.423 32.600 -0.811 0.000 1.535 443 M HN 0.188 nan 8.290 nan 0.000 0.507 444 G N 1.187 109.955 108.800 -0.052 0.000 2.672 444 G HA2 -0.314 3.670 3.960 0.040 0.000 0.332 444 G HA3 -0.314 3.670 3.960 0.040 0.000 0.332 444 G C 0.107 175.014 174.900 0.012 0.000 1.213 444 G CA 0.347 45.454 45.100 0.012 0.000 0.980 444 G HN 0.315 nan 8.290 nan 0.000 0.548 445 V N 3.563 123.527 119.914 0.083 0.000 2.284 445 V HA 0.498 4.642 4.120 0.040 0.000 0.274 445 V C -2.031 174.187 176.094 0.207 0.000 1.023 445 V CA -0.949 61.453 62.300 0.170 0.000 0.808 445 V CB 1.571 33.553 31.823 0.265 0.000 1.035 445 V HN 0.513 nan 8.190 nan 0.000 0.445 446 P HA 0.209 nan 4.420 nan 0.000 0.276 446 P C -0.244 177.274 177.300 0.364 0.000 1.244 446 P CA -0.561 62.645 63.100 0.176 0.000 0.801 446 P CB 0.369 32.026 31.700 -0.071 0.000 1.006 447 H N 0.940 120.096 119.070 0.142 0.000 3.243 447 H HA 0.184 4.764 4.556 0.040 0.000 0.267 447 H C 1.507 176.803 175.328 -0.053 0.000 0.875 447 H CA 2.475 58.573 56.048 0.084 0.000 1.413 447 H CB -0.966 28.828 29.762 0.053 0.000 1.459 447 H HN 0.753 nan 8.280 nan 0.000 0.536 448 G N 3.480 112.135 108.800 -0.241 0.000 2.284 448 G HA2 -0.264 3.720 3.960 0.040 0.000 0.201 448 G HA3 -0.264 3.720 3.960 0.040 0.000 0.201 448 G C 0.501 175.299 174.900 -0.169 0.000 0.998 448 G CA 0.109 45.012 45.100 -0.328 0.000 0.651 448 G HN 0.594 nan 8.290 nan 0.000 0.489 449 Y N 1.859 122.287 120.300 0.213 0.000 2.495 449 Y HA 0.263 4.837 4.550 0.041 0.000 0.293 449 Y C 2.265 178.306 175.900 0.236 0.000 1.186 449 Y CA 0.909 59.178 58.100 0.283 0.000 1.266 449 Y CB 0.483 39.138 38.460 0.325 0.000 1.101 449 Y HN 0.480 nan 8.280 nan 0.000 0.517 450 E N -0.187 120.004 120.200 -0.014 0.000 2.431 450 E HA -0.018 4.356 4.350 0.040 0.000 0.200 450 E C 1.490 177.971 176.600 -0.198 0.000 0.995 450 E CA 0.481 56.547 56.400 -0.556 0.000 0.915 450 E CB -0.300 28.692 29.700 -1.180 0.000 0.930 450 E HN 0.517 nan 8.360 nan 0.000 0.496 451 I N 1.918 122.466 120.570 -0.038 0.000 2.090 451 I HA -0.271 3.923 4.170 0.040 0.000 0.236 451 I C 2.627 178.739 176.117 -0.008 0.000 1.064 451 I CA 1.753 63.068 61.300 0.024 0.000 1.324 451 I CB -0.505 37.573 38.000 0.130 0.000 1.044 451 I HN 0.137 nan 8.210 nan 0.000 0.399 452 E N 0.439 120.573 120.200 -0.109 0.000 2.549 452 E HA -0.350 4.024 4.350 0.040 0.000 0.249 452 E C 1.943 178.309 176.600 -0.390 0.000 1.084 452 E CA 2.695 58.938 56.400 -0.261 0.000 1.243 452 E CB -0.310 29.259 29.700 -0.219 0.000 1.105 452 E HN 0.427 nan 8.360 nan 0.000 0.477 453 F N -0.356 119.500 119.950 -0.156 0.000 2.179 453 F HA -0.045 4.506 4.527 0.041 0.000 0.292 453 F C 2.278 177.865 175.800 -0.356 0.000 1.089 453 F CA 0.585 58.446 58.000 -0.232 0.000 1.295 453 F CB -0.208 38.756 39.000 -0.061 0.000 1.041 453 F HN 0.096 nan 8.300 nan 0.000 0.487 454 I N -0.549 119.862 120.570 -0.265 0.000 2.163 454 I HA -0.310 3.884 4.170 0.040 0.000 0.243 454 I C 2.237 178.115 176.117 -0.397 0.000 1.085 454 I CA 1.790 62.770 61.300 -0.533 0.000 1.347 454 I CB -1.611 35.904 38.000 -0.808 0.000 1.044 454 I HN 0.087 nan 8.210 nan 0.000 0.408 455 F N 1.121 120.898 119.950 -0.288 0.000 2.451 455 F HA 0.093 4.644 4.527 0.040 0.000 0.299 455 F C 1.938 177.627 175.800 -0.186 0.000 1.101 455 F CA 1.127 59.004 58.000 -0.205 0.000 1.436 455 F CB -0.423 38.432 39.000 -0.240 0.000 1.074 455 F HN 0.340 nan 8.300 nan 0.000 0.553 456 G N -0.167 108.501 108.800 -0.220 0.000 2.132 456 G HA2 -0.281 3.703 3.960 0.040 0.000 0.228 456 G HA3 -0.281 3.703 3.960 0.040 0.000 0.228 456 G C 0.894 175.218 174.900 -0.960 0.000 1.000 456 G CA 0.232 45.074 45.100 -0.430 0.000 0.693 456 G HN 0.303 nan 8.290 nan 0.000 0.515 457 L N 0.256 120.960 121.223 -0.866 0.000 2.131 457 L HA 0.052 4.416 4.340 0.040 0.000 0.210 457 L C 0.407 176.746 176.870 -0.884 0.000 1.092 457 L CA 2.516 56.777 54.840 -0.965 0.000 0.759 457 L CB -0.800 40.961 42.059 -0.498 0.000 0.903 457 L HN 0.180 nan 8.230 nan 0.000 0.435 458 P HA -0.165 nan 4.420 nan 0.000 0.222 458 P C 1.554 178.607 177.300 -0.411 0.000 1.142 458 P CA 1.077 63.629 63.100 -0.915 0.000 0.788 458 P CB 0.033 31.227 31.700 -0.842 0.000 0.767 459 L N -1.519 119.407 121.223 -0.495 0.000 2.478 459 L HA -0.008 4.356 4.340 0.040 0.000 0.223 459 L C 0.966 177.745 176.870 -0.151 0.000 1.140 459 L CA 0.961 55.631 54.840 -0.284 0.000 0.842 459 L CB -0.894 41.011 42.059 -0.257 0.000 0.953 459 L HN -0.083 nan 8.230 nan 0.000 0.452 460 D N 0.056 120.334 120.400 -0.203 0.000 2.336 460 D HA 0.085 4.749 4.640 0.040 0.000 0.249 460 D C -1.614 174.699 176.300 0.022 0.000 1.213 460 D CA -2.074 51.934 54.000 0.013 0.000 0.870 460 D CB 1.492 42.342 40.800 0.083 0.000 1.076 460 D HN -0.049 nan 8.370 nan 0.000 0.483 461 P HA -0.123 nan 4.420 nan 0.000 0.220 461 P C 1.278 178.594 177.300 0.027 0.000 1.148 461 P CA 0.811 63.929 63.100 0.031 0.000 0.803 461 P CB 0.030 31.744 31.700 0.023 0.000 0.782 462 S N -0.931 114.782 115.700 0.022 0.000 2.500 462 S HA -0.069 4.426 4.470 0.040 0.000 0.239 462 S C 1.712 176.305 174.600 -0.012 0.000 0.989 462 S CA 0.756 58.958 58.200 0.003 0.000 0.951 462 S CB -1.435 61.767 63.200 0.004 0.000 0.759 462 S HN 0.109 nan 8.310 nan 0.000 0.523 463 L N 0.601 121.831 121.223 0.012 0.000 2.509 463 L HA 0.208 4.573 4.340 0.040 0.000 0.222 463 L C 0.499 177.297 176.870 -0.120 0.000 1.123 463 L CA 0.047 54.873 54.840 -0.023 0.000 0.856 463 L CB -0.544 41.572 42.059 0.094 0.000 0.985 463 L HN 0.271 nan 8.230 nan 0.000 0.456 464 N N -1.166 117.509 118.700 -0.042 0.000 2.776 464 N HA -0.212 4.552 4.740 0.040 0.000 0.249 464 N C -0.475 174.968 175.510 -0.112 0.000 1.111 464 N CA 0.639 53.645 53.050 -0.073 0.000 0.711 464 N CB -1.531 36.891 38.487 -0.108 0.000 1.065 464 N HN 0.261 nan 8.380 nan 0.000 0.556 465 Y N 1.171 121.454 120.300 -0.029 0.000 2.457 465 Y HA 0.062 4.636 4.550 0.040 0.000 0.341 465 Y C 2.027 177.945 175.900 0.031 0.000 1.240 465 Y CA 0.504 58.612 58.100 0.013 0.000 1.437 465 Y CB 0.376 38.836 38.460 0.001 0.000 1.328 465 Y HN 0.085 nan 8.280 nan 0.000 0.588 466 T N -2.332 112.357 114.554 0.226 0.000 2.802 466 T HA 0.006 4.380 4.350 0.040 0.000 0.305 466 T C 1.161 175.940 174.700 0.131 0.000 1.053 466 T CA -0.183 62.002 62.100 0.142 0.000 1.058 466 T CB 0.717 69.660 68.868 0.124 0.000 0.988 466 T HN 0.738 nan 8.240 nan 0.000 0.539 467 T N 1.209 115.811 114.554 0.079 0.000 2.746 467 T HA -0.085 4.289 4.350 0.040 0.000 0.267 467 T C 1.849 176.583 174.700 0.056 0.000 1.039 467 T CA 1.772 63.907 62.100 0.057 0.000 1.142 467 T CB -0.467 68.423 68.868 0.036 0.000 0.866 467 T HN 0.761 nan 8.240 nan 0.000 0.444 468 E N 1.107 121.337 120.200 0.049 0.000 2.160 468 E HA -0.132 4.242 4.350 0.040 0.000 0.195 468 E C 2.206 178.833 176.600 0.046 0.000 0.991 468 E CA 1.105 57.519 56.400 0.024 0.000 0.810 468 E CB -0.143 29.552 29.700 -0.009 0.000 0.742 468 E HN 0.593 nan 8.360 nan 0.000 0.466 469 E N -0.100 120.165 120.200 0.109 0.000 2.158 469 E HA -0.106 4.268 4.350 0.040 0.000 0.191 469 E C 2.091 178.808 176.600 0.195 0.000 0.982 469 E CA 0.410 56.945 56.400 0.225 0.000 0.823 469 E CB -0.025 29.934 29.700 0.432 0.000 0.766 469 E HN 0.111 nan 8.360 nan 0.000 0.468 470 R N 1.258 121.812 120.500 0.089 0.000 2.081 470 R HA -0.145 4.219 4.340 0.040 0.000 0.235 470 R C 2.144 178.446 176.300 0.003 0.000 1.131 470 R CA 1.195 57.294 56.100 -0.002 0.000 0.960 470 R CB -0.247 30.047 30.300 -0.009 0.000 0.856 470 R HN 0.159 nan 8.270 nan 0.000 0.436 471 I N 0.457 121.048 120.570 0.036 0.000 2.179 471 I HA -0.269 3.925 4.170 0.040 0.000 0.242 471 I C 2.291 178.438 176.117 0.051 0.000 1.088 471 I CA 1.139 62.456 61.300 0.028 0.000 1.357 471 I CB -0.382 37.638 38.000 0.033 0.000 1.051 471 I HN 0.163 nan 8.210 nan 0.000 0.409 472 F N 1.938 121.839 119.950 -0.082 0.000 2.161 472 F HA -0.221 4.331 4.527 0.042 0.000 0.300 472 F C 2.402 178.169 175.800 -0.055 0.000 1.089 472 F CA 1.299 59.232 58.000 -0.111 0.000 1.282 472 F CB -0.439 38.422 39.000 -0.232 0.000 1.010 472 F HN 0.005 nan 8.300 nan 0.000 0.485 473 A N -0.210 122.550 122.820 -0.100 0.000 1.969 473 A HA -0.188 4.156 4.320 0.040 0.000 0.218 473 A C 2.154 179.603 177.584 -0.225 0.000 1.169 473 A CA 1.575 53.503 52.037 -0.182 0.000 0.635 473 A CB -0.727 18.193 19.000 -0.133 0.000 0.810 473 A HN 0.583 nan 8.150 nan 0.000 0.445 474 Q N -0.888 118.815 119.800 -0.162 0.000 2.079 474 Q HA -0.141 4.223 4.340 0.040 0.000 0.200 474 Q C 2.382 178.264 176.000 -0.196 0.000 0.974 474 Q CA 1.418 57.135 55.803 -0.144 0.000 0.840 474 Q CB -0.152 28.531 28.738 -0.091 0.000 0.898 474 Q HN 0.620 nan 8.270 nan 0.000 0.430 475 R N 0.371 120.727 120.500 -0.241 0.000 2.083 475 R HA -0.138 4.226 4.340 0.040 0.000 0.237 475 R C 2.257 178.245 176.300 -0.520 0.000 1.137 475 R CA 1.273 57.135 56.100 -0.397 0.000 0.951 475 R CB -0.218 29.901 30.300 -0.303 0.000 0.851 475 R HN 0.231 nan 8.270 nan 0.000 0.434 476 L N -0.232 120.765 121.223 -0.375 0.000 2.093 476 L HA -0.177 4.187 4.340 0.040 0.000 0.208 476 L C 2.525 179.345 176.870 -0.083 0.000 1.085 476 L CA 1.217 55.949 54.840 -0.180 0.000 0.755 476 L CB -0.321 41.499 42.059 -0.398 0.000 0.904 476 L HN 0.274 nan 8.230 nan 0.000 0.435 477 M N -0.381 119.113 119.600 -0.177 0.000 2.149 477 M HA -0.240 4.264 4.480 0.040 0.000 0.261 477 M C 2.329 178.628 176.300 -0.002 0.000 1.064 477 M CA 1.701 56.936 55.300 -0.107 0.000 1.102 477 M CB -0.221 32.303 32.600 -0.126 0.000 1.369 477 M HN 0.021 nan 8.290 nan 0.000 0.408 478 K N -0.311 120.045 120.400 -0.073 0.000 2.057 478 K HA -0.137 4.207 4.320 0.040 0.000 0.206 478 K C 1.569 178.207 176.600 0.063 0.000 1.050 478 K CA 1.539 57.791 56.287 -0.059 0.000 0.935 478 K CB -0.177 32.225 32.500 -0.163 0.000 0.715 478 K HN 0.213 nan 8.250 nan 0.000 0.439 479 Y N -0.766 119.662 120.300 0.213 0.000 2.145 479 Y HA -0.222 4.352 4.550 0.040 0.000 0.286 479 Y C 2.234 178.265 175.900 0.217 0.000 1.145 479 Y CA 1.040 59.295 58.100 0.258 0.000 1.148 479 Y CB -0.780 37.975 38.460 0.491 0.000 0.981 479 Y HN 0.198 nan 8.280 nan 0.000 0.507 480 W N 0.591 121.969 121.300 0.129 0.000 2.358 480 W HA -0.214 4.470 4.660 0.039 0.000 0.303 480 W C 2.386 178.904 176.519 -0.001 0.000 1.208 480 W CA 2.247 59.610 57.345 0.029 0.000 1.274 480 W CB -0.540 28.877 29.460 -0.072 0.000 1.138 480 W HN 0.246 nan 8.180 nan 0.000 0.515 481 T N -2.853 111.805 114.554 0.174 0.000 3.014 481 T HA -0.074 4.300 4.350 0.040 0.000 0.263 481 T C 1.432 176.149 174.700 0.028 0.000 1.078 481 T CA 0.842 62.972 62.100 0.051 0.000 1.135 481 T CB -0.520 68.357 68.868 0.015 0.000 0.895 481 T HN -0.117 nan 8.240 nan 0.000 0.480 482 N N 1.073 119.808 118.700 0.058 0.000 2.104 482 N HA -0.017 4.747 4.740 0.040 0.000 0.190 482 N C 1.329 176.821 175.510 -0.029 0.000 1.024 482 N CA 1.064 54.127 53.050 0.022 0.000 0.853 482 N CB -0.635 37.890 38.487 0.063 0.000 1.008 482 N HN 0.506 nan 8.380 nan 0.000 0.424 483 F N 1.380 121.237 119.950 -0.156 0.000 2.186 483 F HA -0.007 4.545 4.527 0.041 0.000 0.299 483 F C 2.107 177.804 175.800 -0.171 0.000 1.090 483 F CA 1.192 59.045 58.000 -0.246 0.000 1.307 483 F CB -0.301 38.464 39.000 -0.392 0.000 1.019 483 F HN 0.021 nan 8.300 nan 0.000 0.489 484 A N 0.395 123.124 122.820 -0.152 0.000 1.930 484 A HA -0.156 4.188 4.320 0.040 0.000 0.217 484 A C 2.363 179.810 177.584 -0.229 0.000 1.175 484 A CA 1.584 53.505 52.037 -0.193 0.000 0.627 484 A CB -0.731 18.223 19.000 -0.077 0.000 0.815 484 A HN 0.443 nan 8.150 nan 0.000 0.443 485 R N -1.129 119.267 120.500 -0.174 0.000 2.090 485 R HA -0.074 4.290 4.340 0.040 0.000 0.228 485 R C 1.689 177.875 176.300 -0.189 0.000 1.110 485 R CA 1.817 57.832 56.100 -0.142 0.000 0.973 485 R CB 0.023 30.272 30.300 -0.085 0.000 0.869 485 R HN 0.694 nan 8.270 nan 0.000 0.440 486 T N -6.382 108.027 114.554 -0.241 0.000 3.080 486 T HA 0.213 4.587 4.350 0.040 0.000 0.280 486 T C 0.955 175.495 174.700 -0.267 0.000 0.926 486 T CA 0.370 62.344 62.100 -0.210 0.000 0.883 486 T CB 1.240 70.030 68.868 -0.130 0.000 1.194 486 T HN 0.263 nan 8.240 nan 0.000 0.541 487 G N 1.345 109.855 108.800 -0.483 0.000 2.143 487 G HA2 -0.163 3.821 3.960 0.040 0.000 0.248 487 G HA3 -0.163 3.821 3.960 0.040 0.000 0.248 487 G C -0.369 174.370 174.900 -0.269 0.000 0.991 487 G CA 0.280 45.030 45.100 -0.584 0.000 0.689 487 G HN 0.833 nan 8.290 nan 0.000 0.522 488 D N -0.889 119.364 120.400 -0.245 0.000 2.763 488 D HA 0.417 5.081 4.640 0.040 0.000 0.235 488 D C -1.483 174.635 176.300 -0.303 0.000 1.334 488 D CA -1.505 52.332 54.000 -0.272 0.000 0.950 488 D CB 1.999 42.745 40.800 -0.090 0.000 1.433 488 D HN -0.016 nan 8.370 nan 0.000 0.580 489 P HA -0.036 nan 4.420 nan 0.000 0.233 489 P C 0.046 177.354 177.300 0.013 0.000 1.167 489 P CA 0.090 63.004 63.100 -0.310 0.000 0.770 489 P CB 0.423 31.613 31.700 -0.849 0.000 0.837 490 N N 1.482 120.159 118.700 -0.039 0.000 2.525 490 N HA 0.018 4.783 4.740 0.040 0.000 0.271 490 N C 0.033 175.613 175.510 0.117 0.000 1.194 490 N CA 0.283 53.412 53.050 0.132 0.000 0.964 490 N CB 0.592 39.149 38.487 0.118 0.000 1.126 490 N HN 0.026 nan 8.380 nan 0.000 0.452 491 D N 2.429 122.920 120.400 0.152 0.000 2.374 491 D HA 0.096 4.760 4.640 0.040 0.000 0.240 491 D C -1.672 174.669 176.300 0.069 0.000 1.229 491 D CA -1.320 52.737 54.000 0.095 0.000 0.895 491 D CB 0.982 41.835 40.800 0.088 0.000 1.046 491 D HN 0.264 nan 8.370 nan 0.000 0.498 492 P HA 0.050 nan 4.420 nan 0.000 0.258 492 P C 0.563 177.882 177.300 0.031 0.000 1.319 492 P CA 0.436 63.558 63.100 0.035 0.000 0.785 492 P CB 0.200 31.912 31.700 0.019 0.000 1.252 493 R N -1.038 119.483 120.500 0.034 0.000 2.612 493 R HA 0.133 4.498 4.340 0.040 0.000 0.260 493 R C 0.409 176.730 176.300 0.034 0.000 0.943 493 R CA 0.087 56.205 56.100 0.029 0.000 1.036 493 R CB -1.172 29.141 30.300 0.022 0.000 1.520 493 R HN 0.123 nan 8.270 nan 0.000 0.563 494 D N 1.066 121.492 120.400 0.043 0.000 2.383 494 D HA 0.336 5.000 4.640 0.040 0.000 0.245 494 D C 0.535 176.869 176.300 0.056 0.000 1.263 494 D CA 0.751 54.780 54.000 0.049 0.000 0.936 494 D CB 0.895 41.730 40.800 0.058 0.000 1.053 494 D HN 0.473 nan 8.370 nan 0.000 0.507 495 S N 2.963 118.691 115.700 0.046 0.000 3.456 495 S HA 0.489 4.983 4.470 0.040 0.000 0.229 495 S C 0.620 175.249 174.600 0.049 0.000 1.416 495 S CA -0.286 57.941 58.200 0.046 0.000 1.197 495 S CB -0.467 62.755 63.200 0.037 0.000 1.201 495 S HN 0.593 nan 8.310 nan 0.000 0.479 496 K N 0.178 120.613 120.400 0.059 0.000 2.477 496 K HA 0.841 5.185 4.320 0.040 0.000 0.255 496 K C 0.062 176.707 176.600 0.075 0.000 0.952 496 K CA -0.562 55.761 56.287 0.060 0.000 0.826 496 K CB 0.548 33.080 32.500 0.053 0.000 1.331 496 K HN 0.264 nan 8.250 nan 0.000 0.437 497 S N 1.576 117.316 115.700 0.067 0.000 2.617 497 S HA 0.515 5.009 4.470 0.040 0.000 0.255 497 S C -1.837 172.811 174.600 0.081 0.000 1.318 497 S CA -0.489 57.754 58.200 0.072 0.000 0.978 497 S CB 0.120 63.352 63.200 0.054 0.000 0.961 497 S HN 0.736 nan 8.310 nan 0.000 0.582 498 P HA 0.331 nan 4.420 nan 0.000 0.278 498 P C -0.901 176.467 177.300 0.113 0.000 1.258 498 P CA -0.610 62.535 63.100 0.074 0.000 0.811 498 P CB 0.406 32.133 31.700 0.045 0.000 1.063 499 Q N 0.035 119.912 119.800 0.129 0.000 2.259 499 Q HA 0.144 4.508 4.340 0.040 0.000 0.246 499 Q C -0.655 175.496 176.000 0.252 0.000 0.920 499 Q CA -0.216 55.701 55.803 0.190 0.000 0.895 499 Q CB 0.854 29.695 28.738 0.172 0.000 1.220 499 Q HN 0.546 nan 8.270 nan 0.000 0.439 500 W N 5.722 127.072 121.300 0.084 0.000 2.605 500 W HA 0.222 4.907 4.660 0.042 0.000 0.327 500 W C -2.427 174.228 176.519 0.227 0.000 1.332 500 W CA -2.182 55.227 57.345 0.108 0.000 1.403 500 W CB -0.138 29.334 29.460 0.020 0.000 1.452 500 W HN 0.382 nan 8.180 nan 0.000 0.503 501 P HA 0.264 nan 4.420 nan 0.000 0.277 501 P C -2.530 174.945 177.300 0.292 0.000 1.240 501 P CA -1.570 61.735 63.100 0.341 0.000 0.798 501 P CB 0.400 32.220 31.700 0.200 0.000 0.979 502 P HA 0.056 nan 4.420 nan 0.000 0.271 502 P C -0.833 176.443 177.300 -0.040 0.000 1.218 502 P CA -0.016 62.877 63.100 -0.346 0.000 0.780 502 P CB 0.096 31.562 31.700 -0.390 0.000 0.901 503 Y N 2.968 123.203 120.300 -0.108 0.000 2.465 503 Y HA 0.303 4.877 4.550 0.039 0.000 0.331 503 Y C 0.429 176.314 175.900 -0.025 0.000 1.102 503 Y CA 0.605 58.711 58.100 0.010 0.000 1.358 503 Y CB 0.124 38.613 38.460 0.048 0.000 1.213 503 Y HN 0.385 nan 8.280 nan 0.000 0.525 504 T N 0.280 114.583 114.554 -0.418 0.000 2.916 504 T HA 0.258 4.632 4.350 0.040 0.000 0.292 504 T C 0.942 175.384 174.700 -0.430 0.000 1.064 504 T CA -0.188 61.749 62.100 -0.272 0.000 1.011 504 T CB 1.348 70.129 68.868 -0.146 0.000 1.152 504 T HN 0.643 nan 8.240 nan 0.000 0.510 505 T N -1.028 113.415 114.554 -0.184 0.000 2.904 505 T HA 0.084 4.458 4.350 0.040 0.000 0.267 505 T C 2.151 176.779 174.700 -0.119 0.000 1.059 505 T CA 0.859 62.885 62.100 -0.125 0.000 1.137 505 T CB -0.731 68.135 68.868 -0.003 0.000 0.879 505 T HN 0.837 nan 8.240 nan 0.000 0.467 506 A N 2.065 124.824 122.820 -0.102 0.000 1.826 506 A HA 0.501 4.845 4.320 0.040 0.000 0.214 506 A C 2.800 180.335 177.584 -0.082 0.000 1.212 506 A CA 1.586 53.583 52.037 -0.067 0.000 0.605 506 A CB -1.437 17.537 19.000 -0.044 0.000 0.861 506 A HN 0.722 nan 8.150 nan 0.000 0.447 507 A N -1.764 120.992 122.820 -0.106 0.000 2.016 507 A HA 0.095 4.439 4.320 0.040 0.000 0.217 507 A C 1.056 178.572 177.584 -0.113 0.000 1.162 507 A CA 1.135 53.123 52.037 -0.082 0.000 0.662 507 A CB -0.500 18.465 19.000 -0.057 0.000 0.812 507 A HN 0.657 nan 8.150 nan 0.000 0.450 508 Q N -0.583 119.039 119.800 -0.297 0.000 2.453 508 Q HA -0.232 4.132 4.340 0.040 0.000 0.294 508 Q C -0.649 175.350 176.000 -0.001 0.000 1.295 508 Q CA 0.672 56.208 55.803 -0.444 0.000 0.853 508 Q CB -1.952 26.708 28.738 -0.131 0.000 1.193 508 Q HN 0.845 nan 8.270 nan 0.000 0.461 509 Q N 0.393 120.203 119.800 0.016 0.000 2.332 509 Q HA 0.422 4.786 4.340 0.040 0.000 0.263 509 Q C -0.298 175.951 176.000 0.416 0.000 0.979 509 Q CA 0.193 56.095 55.803 0.166 0.000 0.885 509 Q CB 0.456 29.246 28.738 0.086 0.000 1.218 509 Q HN 0.371 nan 8.270 nan 0.000 0.405 510 Y N -1.482 118.948 120.300 0.216 0.000 2.689 510 Y HA 0.746 5.319 4.550 0.039 0.000 0.333 510 Y C -1.157 174.765 175.900 0.037 0.000 1.190 510 Y CA -1.517 56.717 58.100 0.224 0.000 1.063 510 Y CB 0.587 39.186 38.460 0.232 0.000 1.294 510 Y HN 0.336 nan 8.280 nan 0.000 0.466 511 V N -0.511 119.367 119.914 -0.059 0.000 2.864 511 V HA 0.843 4.987 4.120 0.040 0.000 0.314 511 V C -0.354 175.689 176.094 -0.085 0.000 1.073 511 V CA -0.592 61.513 62.300 -0.325 0.000 0.956 511 V CB 1.304 32.660 31.823 -0.780 0.000 1.023 511 V HN 1.211 nan 8.190 nan 0.000 0.435 512 S N 3.630 119.273 115.700 -0.095 0.000 2.499 512 S HA 0.710 5.204 4.470 0.040 0.000 0.279 512 S C -0.476 174.112 174.600 -0.020 0.000 1.219 512 S CA -0.664 57.554 58.200 0.029 0.000 1.062 512 S CB 0.660 63.870 63.200 0.017 0.000 0.978 512 S HN 0.766 nan 8.310 nan 0.000 0.489 513 L N 4.362 125.622 121.223 0.061 0.000 2.259 513 L HA 0.488 4.852 4.340 0.040 0.000 0.288 513 L C 0.010 176.842 176.870 -0.063 0.000 1.051 513 L CA -0.375 54.524 54.840 0.097 0.000 0.824 513 L CB -0.221 41.980 42.059 0.237 0.000 1.206 513 L HN 0.933 nan 8.230 nan 0.000 0.429 514 N N 2.155 120.787 118.700 -0.114 0.000 3.439 514 N HA 0.350 5.114 4.740 0.040 0.000 0.313 514 N C 0.215 175.274 175.510 -0.752 0.000 1.598 514 N CA -0.953 51.759 53.050 -0.564 0.000 0.830 514 N CB 0.596 38.886 38.487 -0.328 0.000 1.849 514 N HN 0.173 nan 8.380 nan 0.000 0.598 515 L N -0.784 120.002 121.223 -0.728 0.000 2.217 515 L HA 0.107 4.471 4.340 0.040 0.000 0.211 515 L C 0.672 177.403 176.870 -0.233 0.000 1.107 515 L CA 0.930 55.433 54.840 -0.562 0.000 0.783 515 L CB -0.439 41.365 42.059 -0.425 0.000 0.919 515 L HN 0.408 nan 8.230 nan 0.000 0.442 516 K N 0.209 120.510 120.400 -0.166 0.000 2.180 516 K HA 0.210 4.554 4.320 0.040 0.000 0.251 516 K C -2.100 174.484 176.600 -0.028 0.000 1.014 516 K CA -1.776 54.465 56.287 -0.076 0.000 0.913 516 K CB 0.011 32.473 32.500 -0.064 0.000 1.008 516 K HN -0.188 nan 8.250 nan 0.000 0.490 517 P HA -0.043 nan 4.420 nan 0.000 0.270 517 P C -0.388 176.924 177.300 0.020 0.000 1.227 517 P CA -0.076 63.046 63.100 0.036 0.000 0.788 517 P CB 0.372 32.091 31.700 0.031 0.000 0.926 518 L N 1.078 122.323 121.223 0.037 0.000 2.578 518 L HA -0.038 4.326 4.340 0.040 0.000 0.279 518 L C 1.103 177.939 176.870 -0.056 0.000 1.227 518 L CA 0.830 55.648 54.840 -0.036 0.000 0.900 518 L CB -0.245 41.777 42.059 -0.061 0.000 1.144 518 L HN 0.457 nan 8.230 nan 0.000 0.496 519 E N 2.645 122.787 120.200 -0.096 0.000 2.171 519 E HA 0.402 4.776 4.350 0.040 0.000 0.271 519 E C -1.358 175.147 176.600 -0.159 0.000 0.916 519 E CA -0.779 55.562 56.400 -0.098 0.000 0.774 519 E CB 1.945 31.596 29.700 -0.082 0.000 1.128 519 E HN 0.286 nan 8.360 nan 0.000 0.403 520 V N 5.189 125.020 119.914 -0.139 0.000 2.383 520 V HA 0.420 4.564 4.120 0.040 0.000 0.275 520 V C 0.200 176.153 176.094 -0.234 0.000 1.036 520 V CA -0.349 61.845 62.300 -0.177 0.000 0.889 520 V CB 1.070 32.845 31.823 -0.079 0.000 0.985 520 V HN 0.667 nan 8.190 nan 0.000 0.459 521 R N 3.832 124.058 120.500 -0.456 0.000 2.873 521 R HA 0.746 5.110 4.340 0.040 0.000 0.264 521 R C -0.771 175.302 176.300 -0.377 0.000 1.026 521 R CA -1.026 54.783 56.100 -0.486 0.000 1.002 521 R CB 2.458 32.321 30.300 -0.729 0.000 1.174 521 R HN 0.578 nan 8.270 nan 0.000 0.488 522 R N 0.102 120.561 120.500 -0.068 0.000 2.480 522 R HA 0.476 4.840 4.340 0.040 0.000 0.306 522 R C -0.830 175.636 176.300 0.276 0.000 0.958 522 R CA -0.394 55.773 56.100 0.112 0.000 0.861 522 R CB 2.186 32.517 30.300 0.052 0.000 1.171 522 R HN 0.906 nan 8.270 nan 0.000 0.445 523 G N 2.221 111.254 108.800 0.387 0.000 3.172 523 G HA2 -0.127 3.857 3.960 0.040 0.000 0.686 523 G HA3 -0.127 3.857 3.960 0.040 0.000 0.686 523 G C -1.222 173.884 174.900 0.343 0.000 1.009 523 G CA -0.658 44.630 45.100 0.314 0.000 0.787 523 G HN 0.557 nan 8.290 nan 0.000 0.559 524 L N 2.565 123.884 121.223 0.160 0.000 2.568 524 L HA 0.832 5.196 4.340 0.040 0.000 0.262 524 L C -0.247 176.631 176.870 0.013 0.000 0.980 524 L CA -0.772 54.019 54.840 -0.082 0.000 0.882 524 L CB 1.472 43.200 42.059 -0.553 0.000 1.198 524 L HN 0.786 nan 8.230 nan 0.000 0.425 525 R N 4.133 124.683 120.500 0.082 0.000 2.477 525 R HA 0.642 5.006 4.340 0.040 0.000 0.285 525 R C 0.713 177.108 176.300 0.159 0.000 1.415 525 R CA 0.513 56.686 56.100 0.122 0.000 1.446 525 R CB 1.244 31.626 30.300 0.137 0.000 1.110 525 R HN 0.868 nan 8.270 nan 0.000 0.590 526 A N 2.314 125.226 122.820 0.153 0.000 1.892 526 A HA -0.250 4.095 4.320 0.040 0.000 0.218 526 A C 1.845 179.520 177.584 0.151 0.000 1.188 526 A CA 1.448 53.575 52.037 0.150 0.000 0.631 526 A CB -0.255 18.826 19.000 0.136 0.000 0.822 526 A HN 0.684 nan 8.150 nan 0.000 0.447 527 Q N -0.722 119.163 119.800 0.142 0.000 1.990 527 Q HA -0.085 4.279 4.340 0.040 0.000 0.200 527 Q C 2.274 178.394 176.000 0.200 0.000 0.980 527 Q CA 2.410 58.297 55.803 0.140 0.000 0.832 527 Q CB -1.006 27.794 28.738 0.104 0.000 0.897 527 Q HN 0.635 nan 8.270 nan 0.000 0.427 528 T N -0.455 114.242 114.554 0.237 0.000 2.699 528 T HA -0.187 4.187 4.350 0.040 0.000 0.268 528 T C 1.940 176.894 174.700 0.423 0.000 1.036 528 T CA 1.486 63.796 62.100 0.352 0.000 1.147 528 T CB -0.614 68.472 68.868 0.363 0.000 0.862 528 T HN 0.357 nan 8.240 nan 0.000 0.446 529 c N 1.531 120.347 118.600 0.361 0.000 2.448 529 c HA 0.256 4.850 4.570 0.040 0.000 0.280 529 c C 3.156 177.414 174.090 0.280 0.000 1.398 529 c CA -0.157 56.392 56.329 0.368 0.000 1.774 529 c CB -1.541 41.118 42.510 0.247 0.000 1.888 529 c HN 0.651 nan 8.230 nan 0.000 0.519 530 A N 0.550 123.498 122.820 0.214 0.000 1.908 530 A HA -0.227 4.117 4.320 0.040 0.000 0.218 530 A C 1.880 179.552 177.584 0.147 0.000 1.181 530 A CA 1.824 53.955 52.037 0.157 0.000 0.627 530 A CB -0.849 18.227 19.000 0.126 0.000 0.818 530 A HN 0.554 nan 8.150 nan 0.000 0.445 531 F N -0.840 119.092 119.950 -0.031 0.000 2.069 531 F HA -0.213 4.340 4.527 0.043 0.000 0.298 531 F C 2.020 177.760 175.800 -0.099 0.000 1.113 531 F CA 2.020 59.912 58.000 -0.180 0.000 1.214 531 F CB -0.567 38.050 39.000 -0.638 0.000 0.978 531 F HN 0.383 nan 8.300 nan 0.000 0.474 532 W N 0.516 121.843 121.300 0.044 0.000 2.388 532 W HA -0.132 4.551 4.660 0.038 0.000 0.294 532 W C 2.142 178.620 176.519 -0.068 0.000 1.212 532 W CA 0.964 58.291 57.345 -0.030 0.000 1.271 532 W CB -0.444 29.129 29.460 0.188 0.000 1.126 532 W HN 0.003 nan 8.180 nan 0.000 0.535 533 N N -0.587 118.231 118.700 0.197 0.000 2.409 533 N HA 0.047 4.811 4.740 0.040 0.000 0.174 533 N C 1.496 177.033 175.510 0.045 0.000 1.037 533 N CA 0.844 53.961 53.050 0.112 0.000 0.898 533 N CB -0.208 38.348 38.487 0.115 0.000 1.010 533 N HN 0.222 nan 8.380 nan 0.000 0.445 534 R N -1.369 119.153 120.500 0.037 0.000 2.191 534 R HA 0.237 4.601 4.340 0.040 0.000 0.196 534 R C 1.215 177.530 176.300 0.025 0.000 0.991 534 R CA 0.115 56.237 56.100 0.037 0.000 1.075 534 R CB 0.046 30.389 30.300 0.071 0.000 1.040 534 R HN 0.054 nan 8.270 nan 0.000 0.526 535 F N 0.857 120.677 119.950 -0.216 0.000 2.343 535 F HA 0.113 4.665 4.527 0.041 0.000 0.286 535 F C 1.812 177.394 175.800 -0.363 0.000 1.057 535 F CA 0.296 58.139 58.000 -0.262 0.000 1.365 535 F CB -0.214 38.642 39.000 -0.240 0.000 1.114 535 F HN -0.165 nan 8.300 nan 0.000 0.545 536 L N 1.620 122.433 121.223 -0.684 0.000 2.013 536 L HA -0.131 4.233 4.340 0.040 0.000 0.212 536 L C -0.905 175.718 176.870 -0.412 0.000 1.073 536 L CA 2.335 56.766 54.840 -0.682 0.000 0.753 536 L CB -1.744 39.921 42.059 -0.657 0.000 0.890 536 L HN 0.001 nan 8.230 nan 0.000 0.432 537 P HA -0.195 nan 4.420 nan 0.000 0.216 537 P C 1.338 178.515 177.300 -0.205 0.000 1.150 537 P CA 1.703 64.701 63.100 -0.170 0.000 0.837 537 P CB -0.058 31.581 31.700 -0.101 0.000 0.786 538 K N -1.141 119.098 120.400 -0.269 0.000 2.097 538 K HA -0.093 4.252 4.320 0.040 0.000 0.205 538 K C 1.951 178.351 176.600 -0.334 0.000 1.050 538 K CA 0.907 57.040 56.287 -0.257 0.000 0.938 538 K CB -0.767 31.604 32.500 -0.214 0.000 0.718 538 K HN 0.076 nan 8.250 nan 0.000 0.442 539 L N 1.386 122.284 121.223 -0.541 0.000 2.109 539 L HA -0.084 4.280 4.340 0.040 0.000 0.207 539 L C 1.854 178.565 176.870 -0.265 0.000 1.086 539 L CA 1.359 55.909 54.840 -0.484 0.000 0.760 539 L CB -0.213 41.428 42.059 -0.696 0.000 0.910 539 L HN 0.103 nan 8.230 nan 0.000 0.437 540 L N -0.939 120.144 121.223 -0.233 0.000 2.027 540 L HA -0.152 4.212 4.340 0.040 0.000 0.206 540 L C 2.870 179.673 176.870 -0.111 0.000 1.074 540 L CA 1.224 55.979 54.840 -0.141 0.000 0.745 540 L CB -1.237 40.754 42.059 -0.113 0.000 0.898 540 L HN 0.447 nan 8.230 nan 0.000 0.433 541 S N 0.273 115.903 115.700 -0.117 0.000 2.380 541 S HA -0.128 4.366 4.470 0.040 0.000 0.229 541 S C 1.266 175.818 174.600 -0.080 0.000 1.050 541 S CA 1.987 60.134 58.200 -0.089 0.000 1.100 541 S CB -0.501 62.646 63.200 -0.088 0.000 0.984 541 S HN 0.410 nan 8.310 nan 0.000 0.434 542 A N 0.000 122.763 122.820 -0.095 0.000 2.254 542 A HA 0.000 4.344 4.320 0.040 0.000 0.244 542 A CA 0.000 51.993 52.037 -0.073 0.000 0.836 542 A CB 0.000 18.960 19.000 -0.066 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486