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 2xuo_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 RFLPKLLS 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 0.000 176.627 176.600 0.045 0.000 1.382 4 E CA 0.000 56.420 56.400 0.034 0.000 0.976 4 E CB 0.000 29.720 29.700 0.033 0.000 0.812 5 D N 5.348 125.785 120.400 0.062 0.000 2.441 5 D HA 0.327 4.990 4.640 0.040 0.000 0.231 5 D C -1.707 174.646 176.300 0.087 0.000 1.073 5 D CA -2.290 51.763 54.000 0.087 0.000 0.850 5 D CB 1.723 42.601 40.800 0.131 0.000 1.062 5 D HN 0.183 nan 8.370 nan 0.000 0.524 6 P HA -0.191 nan 4.420 nan 0.000 0.218 6 P C 1.167 178.499 177.300 0.053 0.000 1.146 6 P CA 0.910 64.036 63.100 0.043 0.000 0.813 6 P CB 0.524 32.233 31.700 0.016 0.000 0.778 7 Q N -0.495 119.335 119.800 0.050 0.000 2.170 7 Q HA -0.046 4.318 4.340 0.040 0.000 0.203 7 Q C 2.053 178.179 176.000 0.210 0.000 0.976 7 Q CA 1.051 56.886 55.803 0.054 0.000 0.858 7 Q CB -0.508 28.174 28.738 -0.095 0.000 0.907 7 Q HN 0.422 nan 8.270 nan 0.000 0.433 8 L N 0.015 121.366 121.223 0.213 0.000 2.628 8 L HA 0.210 4.574 4.340 0.040 0.000 0.229 8 L C 0.391 177.465 176.870 0.340 0.000 1.137 8 L CA -0.146 54.845 54.840 0.251 0.000 0.909 8 L CB 0.268 42.385 42.059 0.097 0.000 1.137 8 L HN -0.009 nan 8.230 nan 0.000 0.470 9 L N 0.679 122.043 121.223 0.236 0.000 2.305 9 L HA 0.548 4.912 4.340 0.040 0.000 0.284 9 L C -0.913 175.993 176.870 0.059 0.000 1.013 9 L CA -0.428 54.510 54.840 0.162 0.000 0.819 9 L CB 2.150 44.263 42.059 0.090 0.000 1.227 9 L HN -0.220 nan 8.230 nan 0.000 0.417 10 V N 3.585 123.496 119.914 -0.006 0.000 2.841 10 V HA 0.439 4.582 4.120 0.040 0.000 0.310 10 V C -0.409 175.600 176.094 -0.142 0.000 1.090 10 V CA -0.836 61.323 62.300 -0.235 0.000 0.930 10 V CB 2.393 33.777 31.823 -0.732 0.000 1.014 10 V HN 0.665 nan 8.190 nan 0.000 0.425 11 R N 3.125 123.518 120.500 -0.179 0.000 2.280 11 R HA 0.618 4.982 4.340 0.040 0.000 0.326 11 R C -0.514 175.694 176.300 -0.153 0.000 1.080 11 R CA -0.296 55.734 56.100 -0.116 0.000 1.002 11 R CB 0.944 31.181 30.300 -0.105 0.000 1.136 11 R HN 0.734 nan 8.270 nan 0.000 0.509 12 V N 1.717 121.594 119.914 -0.062 0.000 3.134 12 V HA 0.377 4.521 4.120 0.040 0.000 0.313 12 V C 1.285 177.310 176.094 -0.114 0.000 1.069 12 V CA -0.622 61.651 62.300 -0.045 0.000 1.048 12 V CB 1.614 33.576 31.823 0.231 0.000 1.119 12 V HN 0.803 nan 8.190 nan 0.000 0.461 13 R N 1.828 122.241 120.500 -0.144 0.000 2.127 13 R HA -0.074 4.290 4.340 0.040 0.000 0.238 13 R C 2.026 178.183 176.300 -0.239 0.000 1.134 13 R CA 1.681 57.682 56.100 -0.164 0.000 0.975 13 R CB -0.708 29.510 30.300 -0.137 0.000 0.865 13 R HN 0.999 nan 8.270 nan 0.000 0.447 14 G N -0.441 108.162 108.800 -0.327 0.000 2.920 14 G HA2 0.280 4.264 3.960 0.040 0.000 0.208 14 G HA3 0.280 4.264 3.960 0.040 0.000 0.208 14 G C 0.421 174.438 174.900 -1.472 0.000 1.159 14 G CA 0.516 45.168 45.100 -0.746 0.000 0.784 14 G HN 0.594 nan 8.290 nan 0.000 0.535 15 G N -1.009 107.234 108.800 -0.927 0.000 2.298 15 G HA2 0.000 3.984 3.960 0.040 0.000 0.309 15 G HA3 0.000 3.984 3.960 0.040 0.000 0.309 15 G C -0.876 173.960 174.900 -0.108 0.000 1.279 15 G CA -0.928 43.741 45.100 -0.719 0.000 1.042 15 G HN 0.306 nan 8.290 nan 0.000 0.480 16 Q N -0.427 119.486 119.800 0.188 0.000 2.259 16 Q HA 0.696 5.060 4.340 0.040 0.000 0.246 16 Q C -0.380 175.917 176.000 0.495 0.000 0.920 16 Q CA -0.177 55.803 55.803 0.296 0.000 0.895 16 Q CB 1.838 30.683 28.738 0.179 0.000 1.220 16 Q HN 0.484 nan 8.270 nan 0.000 0.439 17 L N 1.140 122.559 121.223 0.326 0.000 2.388 17 L HA 0.606 4.970 4.340 0.040 0.000 0.264 17 L C -0.465 176.570 176.870 0.276 0.000 0.998 17 L CA -0.852 54.176 54.840 0.313 0.000 0.817 17 L CB 2.309 44.588 42.059 0.366 0.000 1.338 17 L HN 0.471 nan 8.230 nan 0.000 0.414 18 R N 0.667 121.307 120.500 0.233 0.000 2.360 18 R HA 0.645 5.009 4.340 0.040 0.000 0.318 18 R C -0.202 176.193 176.300 0.158 0.000 0.950 18 R CA -0.307 55.912 56.100 0.198 0.000 0.837 18 R CB 1.557 31.915 30.300 0.096 0.000 1.165 18 R HN 0.802 nan 8.270 nan 0.000 0.458 19 G N 3.331 112.194 108.800 0.105 0.000 2.537 19 G HA2 0.414 4.398 3.960 0.040 0.000 0.297 19 G HA3 0.414 4.398 3.960 0.040 0.000 0.297 19 G C -0.926 173.785 174.900 -0.316 0.000 1.310 19 G CA -0.757 44.099 45.100 -0.407 0.000 1.027 19 G HN 0.616 nan 8.290 nan 0.000 0.505 20 I N -0.625 119.702 120.570 -0.405 0.000 2.582 20 I HA 0.498 4.692 4.170 0.040 0.000 0.292 20 I C -0.197 175.765 176.117 -0.258 0.000 1.066 20 I CA -1.098 60.046 61.300 -0.261 0.000 1.053 20 I CB 1.952 39.813 38.000 -0.232 0.000 1.241 20 I HN 0.481 nan 8.210 nan 0.000 0.421 21 R N 7.756 128.138 120.500 -0.197 0.000 2.267 21 R HA 0.507 4.871 4.340 0.040 0.000 0.319 21 R C -1.534 174.650 176.300 -0.194 0.000 1.067 21 R CA -0.301 55.665 56.100 -0.222 0.000 0.936 21 R CB 0.589 30.694 30.300 -0.326 0.000 1.006 21 R HN 0.655 nan 8.270 nan 0.000 0.452 22 L N 3.287 124.417 121.223 -0.157 0.000 2.352 22 L HA 0.449 4.813 4.340 0.040 0.000 0.269 22 L C -0.200 176.597 176.870 -0.122 0.000 1.034 22 L CA -1.123 53.648 54.840 -0.116 0.000 0.806 22 L CB 1.558 43.582 42.059 -0.058 0.000 1.244 22 L HN 0.491 nan 8.230 nan 0.000 0.447 23 K N 1.608 121.944 120.400 -0.106 0.000 2.211 23 K HA 0.665 5.009 4.320 0.040 0.000 0.275 23 K C -0.990 175.550 176.600 -0.100 0.000 1.024 23 K CA -0.113 56.118 56.287 -0.093 0.000 0.887 23 K CB 1.483 33.941 32.500 -0.070 0.000 1.084 23 K HN 0.620 nan 8.250 nan 0.000 0.463 24 A N 5.783 128.552 122.820 -0.086 0.000 2.365 24 A HA 0.536 4.879 4.320 0.040 0.000 0.318 24 A C -2.001 175.591 177.584 0.013 0.000 1.091 24 A CA -1.871 50.113 52.037 -0.089 0.000 0.763 24 A CB 0.971 19.891 19.000 -0.134 0.000 1.248 24 A HN 0.676 nan 8.150 nan 0.000 0.442 25 P HA -0.252 nan 4.420 nan 0.000 0.225 25 P C 1.373 178.705 177.300 0.053 0.000 1.154 25 P CA 2.729 65.885 63.100 0.094 0.000 0.933 25 P CB 0.209 31.995 31.700 0.142 0.000 0.790 26 G N -2.695 106.138 108.800 0.055 0.000 3.088 26 G HA2 0.451 4.434 3.960 0.040 0.000 0.217 26 G HA3 0.451 4.434 3.960 0.040 0.000 0.217 26 G C 0.466 175.384 174.900 0.030 0.000 1.159 26 G CA 0.550 45.673 45.100 0.039 0.000 0.760 26 G HN 0.679 nan 8.290 nan 0.000 0.550 27 G N -0.464 108.348 108.800 0.020 0.000 2.328 27 G HA2 0.416 4.400 3.960 0.040 0.000 0.299 27 G HA3 0.416 4.400 3.960 0.040 0.000 0.299 27 G C -3.380 171.515 174.900 -0.008 0.000 1.435 27 G CA -0.828 44.281 45.100 0.015 0.000 0.865 27 G HN -0.006 nan 8.290 nan 0.000 0.601 28 P HA 0.441 nan 4.420 nan 0.000 0.271 28 P C 0.087 177.390 177.300 0.004 0.000 1.218 28 P CA -0.026 63.007 63.100 -0.111 0.000 0.780 28 P CB 1.482 32.983 31.700 -0.332 0.000 0.901 29 V N -0.944 118.964 119.914 -0.010 0.000 2.962 29 V HA 0.626 4.770 4.120 0.040 0.000 0.313 29 V C -0.314 175.835 176.094 0.091 0.000 1.099 29 V CA -0.902 61.466 62.300 0.114 0.000 0.971 29 V CB 1.888 33.788 31.823 0.128 0.000 1.028 29 V HN 0.431 nan 8.190 nan 0.000 0.430 30 S N 2.024 117.837 115.700 0.188 0.000 2.480 30 S HA 0.857 5.351 4.470 0.040 0.000 0.286 30 S C 0.048 174.589 174.600 -0.099 0.000 1.180 30 S CA 0.014 58.246 58.200 0.052 0.000 1.075 30 S CB 1.233 64.576 63.200 0.237 0.000 0.996 30 S HN 1.584 nan 8.310 nan 0.000 0.487 31 A N 2.562 125.117 122.820 -0.442 0.000 2.371 31 A HA 0.799 5.142 4.320 0.040 0.000 0.311 31 A C -1.230 175.853 177.584 -0.834 0.000 1.068 31 A CA -0.682 51.012 52.037 -0.571 0.000 0.744 31 A CB 0.558 19.213 19.000 -0.575 0.000 1.239 31 A HN 0.691 nan 8.150 nan 0.000 0.435 32 F N 2.902 122.682 119.950 -0.285 0.000 2.363 32 F HA 0.444 4.995 4.527 0.040 0.000 0.366 32 F C -0.201 175.411 175.800 -0.313 0.000 1.083 32 F CA -0.312 57.591 58.000 -0.162 0.000 1.176 32 F CB 0.910 39.972 39.000 0.103 0.000 1.432 32 F HN 0.343 nan 8.300 nan 0.000 0.482 33 L N 1.571 122.616 121.223 -0.296 0.000 2.334 33 L HA 0.755 5.119 4.340 0.040 0.000 0.275 33 L C 1.046 177.800 176.870 -0.193 0.000 1.036 33 L CA -0.993 53.614 54.840 -0.389 0.000 0.807 33 L CB 1.463 43.069 42.059 -0.755 0.000 1.231 33 L HN 0.764 nan 8.230 nan 0.000 0.438 34 G N 2.584 111.335 108.800 -0.081 0.000 2.198 34 G HA2 -0.250 3.733 3.960 0.040 0.000 0.257 34 G HA3 -0.250 3.733 3.960 0.040 0.000 0.257 34 G C -0.121 174.814 174.900 0.058 0.000 1.042 34 G CA -0.368 44.702 45.100 -0.049 0.000 0.791 34 G HN 0.480 nan 8.290 nan 0.000 0.502 35 I N 2.218 122.835 120.570 0.078 0.000 2.436 35 I HA 0.217 4.411 4.170 0.040 0.000 0.289 35 I C -1.449 174.724 176.117 0.095 0.000 1.083 35 I CA -2.081 59.247 61.300 0.046 0.000 1.372 35 I CB 0.901 38.864 38.000 -0.062 0.000 1.408 35 I HN -0.040 nan 8.210 nan 0.000 0.516 36 P HA -0.013 nan 4.420 nan 0.000 0.271 36 P C -0.148 177.087 177.300 -0.108 0.000 1.226 36 P CA 0.149 63.105 63.100 -0.240 0.000 0.765 36 P CB 0.379 31.979 31.700 -0.166 0.000 0.835 37 F N 1.602 121.378 119.950 -0.291 0.000 2.746 37 F HA 0.682 5.233 4.527 0.040 0.000 0.313 37 F C 0.145 175.932 175.800 -0.021 0.000 1.095 37 F CA -0.571 57.341 58.000 -0.146 0.000 1.224 37 F CB 0.168 38.992 39.000 -0.293 0.000 1.060 37 F HN 0.305 nan 8.300 nan 0.000 0.584 38 A N 0.335 122.832 122.820 -0.538 0.000 2.527 38 A HA 0.585 4.929 4.320 0.040 0.000 0.293 38 A C -0.755 176.661 177.584 -0.281 0.000 1.117 38 A CA -0.777 51.070 52.037 -0.317 0.000 0.723 38 A CB 0.891 19.647 19.000 -0.408 0.000 1.313 38 A HN 0.082 nan 8.150 nan 0.000 0.411 39 E N 1.351 121.471 120.200 -0.133 0.000 2.415 39 E HA 0.169 4.543 4.350 0.040 0.000 0.263 39 E C -2.280 174.226 176.600 -0.157 0.000 0.995 39 E CA -1.210 55.128 56.400 -0.104 0.000 0.915 39 E CB -0.130 29.546 29.700 -0.039 0.000 0.951 39 E HN 0.215 nan 8.360 nan 0.000 0.449 40 P HA -0.045 nan 4.420 nan 0.000 0.258 40 P C -2.162 175.074 177.300 -0.108 0.000 1.172 40 P CA -0.538 62.479 63.100 -0.139 0.000 0.762 40 P CB -0.049 31.607 31.700 -0.072 0.000 0.764 41 P HA -0.004 nan 4.420 nan 0.000 0.228 41 P C -0.163 177.077 177.300 -0.099 0.000 1.748 41 P CA 0.134 63.177 63.100 -0.094 0.000 0.909 41 P CB -0.177 31.469 31.700 -0.090 0.000 1.882 42 V N -2.893 116.969 119.914 -0.086 0.000 2.966 42 V HA 0.857 5.001 4.120 0.040 0.000 0.317 42 V C 1.117 177.168 176.094 -0.072 0.000 1.070 42 V CA 0.213 62.461 62.300 -0.087 0.000 1.008 42 V CB 0.625 32.407 31.823 -0.070 0.000 1.070 42 V HN 0.520 nan 8.190 nan 0.000 0.457 43 G N 2.477 111.234 108.800 -0.072 0.000 2.634 43 G HA2 -0.386 3.598 3.960 0.040 0.000 0.318 43 G HA3 -0.386 3.598 3.960 0.040 0.000 0.318 43 G C 1.351 176.224 174.900 -0.045 0.000 1.207 43 G CA 1.944 47.015 45.100 -0.049 0.000 0.987 43 G HN 2.353 nan 8.290 nan 0.000 0.547 44 S N 0.468 116.155 115.700 -0.022 0.000 2.447 44 S HA 0.031 4.524 4.470 0.040 0.000 0.233 44 S C 2.090 176.687 174.600 -0.006 0.000 1.006 44 S CA 1.618 59.816 58.200 -0.003 0.000 0.957 44 S CB -0.115 63.090 63.200 0.009 0.000 0.773 44 S HN 0.692 nan 8.310 nan 0.000 0.507 45 R N 0.748 121.231 120.500 -0.027 0.000 2.299 45 R HA 0.226 4.590 4.340 0.040 0.000 0.197 45 R C 1.005 177.270 176.300 -0.058 0.000 0.971 45 R CA -0.120 55.965 56.100 -0.025 0.000 1.030 45 R CB -0.085 30.198 30.300 -0.030 0.000 0.932 45 R HN 0.391 nan 8.270 nan 0.000 0.477 46 R N 0.866 121.284 120.500 -0.136 0.000 2.538 46 R HA -0.154 4.210 4.340 0.040 0.000 0.282 46 R C -0.441 175.674 176.300 -0.309 0.000 1.009 46 R CA 0.672 56.566 56.100 -0.342 0.000 1.063 46 R CB 0.101 30.067 30.300 -0.558 0.000 0.945 46 R HN 0.132 nan 8.270 nan 0.000 0.414 47 F N -0.651 119.319 119.950 0.033 0.000 2.619 47 F HA -0.310 4.241 4.527 0.040 0.000 0.425 47 F C 0.084 175.884 175.800 -0.001 0.000 0.575 47 F CA 0.662 58.660 58.000 -0.002 0.000 1.289 47 F CB -1.751 37.237 39.000 -0.020 0.000 1.859 47 F HN 0.470 nan 8.300 nan 0.000 0.280 48 M N 1.192 120.870 119.600 0.131 0.000 2.359 48 M HA 0.432 4.935 4.480 0.040 0.000 0.322 48 M C -2.051 174.289 176.300 0.067 0.000 1.166 48 M CA -1.552 53.804 55.300 0.093 0.000 1.067 48 M CB 0.539 33.180 32.600 0.068 0.000 1.523 48 M HN -0.373 nan 8.290 nan 0.000 0.467 49 P HA 0.024 nan 4.420 nan 0.000 0.264 49 P C -2.374 174.963 177.300 0.062 0.000 1.183 49 P CA -0.379 62.765 63.100 0.073 0.000 0.763 49 P CB -0.478 31.273 31.700 0.085 0.000 0.807 50 P HA 0.074 nan 4.420 nan 0.000 0.269 50 P C -0.372 176.965 177.300 0.063 0.000 1.215 50 P CA 0.340 63.469 63.100 0.049 0.000 0.780 50 P CB 0.890 32.639 31.700 0.081 0.000 0.898 51 E N 1.988 122.210 120.200 0.038 0.000 2.212 51 E HA 0.403 4.777 4.350 0.040 0.000 0.270 51 E C -2.277 174.364 176.600 0.068 0.000 0.956 51 E CA -2.210 54.224 56.400 0.056 0.000 0.825 51 E CB 0.711 30.435 29.700 0.040 0.000 1.167 51 E HN 0.307 nan 8.360 nan 0.000 0.400 52 P HA -0.007 nan 4.420 nan 0.000 0.266 52 P C -0.386 176.983 177.300 0.116 0.000 1.195 52 P CA -0.065 63.119 63.100 0.141 0.000 0.768 52 P CB 0.405 32.190 31.700 0.140 0.000 0.838 53 K N 3.635 124.126 120.400 0.151 0.000 2.401 53 K HA 0.076 4.420 4.320 0.040 0.000 0.278 53 K C -0.037 176.672 176.600 0.183 0.000 1.018 53 K CA 0.218 56.593 56.287 0.146 0.000 0.981 53 K CB 0.251 32.863 32.500 0.186 0.000 0.933 53 K HN 0.270 nan 8.250 nan 0.000 0.477 54 R N 5.151 125.743 120.500 0.153 0.000 2.543 54 R HA 0.188 4.552 4.340 0.040 0.000 0.277 54 R C -1.915 174.496 176.300 0.184 0.000 1.074 54 R CA -1.714 54.465 56.100 0.132 0.000 1.076 54 R CB 0.014 30.374 30.300 0.100 0.000 0.993 54 R HN 0.631 nan 8.270 nan 0.000 0.459 55 P HA -0.135 nan 4.420 nan 0.000 0.266 55 P C -1.077 176.261 177.300 0.063 0.000 1.186 55 P CA 0.374 63.415 63.100 -0.099 0.000 0.767 55 P CB 0.239 31.857 31.700 -0.136 0.000 0.820 56 W N 1.151 122.487 121.300 0.060 0.000 2.719 56 W HA 0.633 5.317 4.660 0.040 0.000 0.352 56 W C -0.336 176.210 176.519 0.044 0.000 1.085 56 W CA -1.045 56.332 57.345 0.053 0.000 1.187 56 W CB 0.151 29.650 29.460 0.065 0.000 1.417 56 W HN 0.404 nan 8.180 nan 0.000 0.557 57 S N 1.602 117.462 115.700 0.267 0.000 2.672 57 S HA 0.788 5.282 4.470 0.040 0.000 0.276 57 S C 0.659 175.409 174.600 0.250 0.000 1.207 57 S CA 0.107 58.405 58.200 0.164 0.000 1.002 57 S CB 0.747 64.015 63.200 0.114 0.000 0.998 57 S HN 2.114 nan 8.310 nan 0.000 0.542 58 G N 0.066 108.964 108.800 0.163 0.000 2.601 58 G HA2 -0.177 3.807 3.960 0.040 0.000 0.261 58 G HA3 -0.177 3.807 3.960 0.040 0.000 0.261 58 G C -0.553 174.495 174.900 0.246 0.000 1.289 58 G CA -0.179 45.018 45.100 0.163 0.000 0.920 58 G HN 1.692 nan 8.290 nan 0.000 0.571 59 V N 0.608 120.636 119.914 0.191 0.000 2.347 59 V HA 0.542 4.686 4.120 0.040 0.000 0.280 59 V C 0.571 176.747 176.094 0.137 0.000 1.021 59 V CA -0.376 62.043 62.300 0.199 0.000 0.847 59 V CB 1.222 33.122 31.823 0.129 0.000 0.990 59 V HN 0.816 nan 8.190 nan 0.000 0.444 60 L N 4.178 125.471 121.223 0.117 0.000 2.319 60 L HA 0.409 4.773 4.340 0.040 0.000 0.280 60 L C 0.289 177.127 176.870 -0.053 0.000 1.099 60 L CA 0.107 54.874 54.840 -0.121 0.000 0.828 60 L CB 1.008 42.724 42.059 -0.571 0.000 1.150 60 L HN 0.777 nan 8.230 nan 0.000 0.442 61 D N 4.450 124.806 120.400 -0.073 0.000 2.342 61 D HA 0.333 4.997 4.640 0.040 0.000 0.260 61 D C -0.153 176.101 176.300 -0.078 0.000 1.278 61 D CA 0.277 54.243 54.000 -0.055 0.000 0.910 61 D CB 0.839 41.600 40.800 -0.064 0.000 1.079 61 D HN 0.638 nan 8.370 nan 0.000 0.496 62 A N 3.445 126.244 122.820 -0.034 0.000 3.219 62 A HA 0.309 4.653 4.320 0.040 0.000 0.314 62 A C 0.959 178.470 177.584 -0.122 0.000 1.081 62 A CA -0.317 51.695 52.037 -0.041 0.000 0.995 62 A CB -0.154 18.909 19.000 0.105 0.000 1.067 62 A HN 0.594 nan 8.150 nan 0.000 0.533 63 T N -3.466 110.987 114.554 -0.167 0.000 2.975 63 T HA 0.260 4.633 4.350 0.040 0.000 0.257 63 T C 0.754 175.295 174.700 -0.266 0.000 1.003 63 T CA 0.798 62.769 62.100 -0.216 0.000 0.932 63 T CB -0.088 68.687 68.868 -0.155 0.000 1.087 63 T HN 0.720 nan 8.240 nan 0.000 0.512 64 T N -0.482 113.920 114.554 -0.255 0.000 2.901 64 T HA 0.724 5.098 4.350 0.040 0.000 0.293 64 T C -0.841 173.696 174.700 -0.273 0.000 1.084 64 T CA -0.881 61.059 62.100 -0.268 0.000 1.008 64 T CB 1.127 69.907 68.868 -0.147 0.000 1.170 64 T HN -0.008 nan 8.240 nan 0.000 0.509 65 F N 1.783 121.661 119.950 -0.121 0.000 2.459 65 F HA 0.376 4.927 4.527 0.040 0.000 0.346 65 F C 1.419 177.116 175.800 -0.171 0.000 1.128 65 F CA -0.229 57.700 58.000 -0.118 0.000 1.268 65 F CB 0.542 39.500 39.000 -0.069 0.000 1.161 65 F HN 0.457 nan 8.300 nan 0.000 0.583 66 Q N 1.214 121.022 119.800 0.012 0.000 2.171 66 Q HA 0.227 4.591 4.340 0.040 0.000 0.217 66 Q C -0.269 175.656 176.000 -0.124 0.000 0.995 66 Q CA -0.782 54.883 55.803 -0.231 0.000 0.979 66 Q CB 0.516 28.856 28.738 -0.663 0.000 1.152 66 Q HN 0.510 nan 8.270 nan 0.000 0.525 67 N N -0.091 118.511 118.700 -0.163 0.000 2.395 67 N HA -0.006 4.758 4.740 0.040 0.000 0.246 67 N C -0.455 175.024 175.510 -0.051 0.000 1.246 67 N CA 0.154 53.150 53.050 -0.090 0.000 0.879 67 N CB 0.347 38.790 38.487 -0.073 0.000 1.098 67 N HN 0.180 nan 8.380 nan 0.000 0.444 68 V N 1.959 121.819 119.914 -0.091 0.000 2.583 68 V HA 0.025 4.169 4.120 0.040 0.000 0.287 68 V C 0.833 176.867 176.094 -0.100 0.000 1.051 68 V CA -0.775 61.458 62.300 -0.112 0.000 1.010 68 V CB 0.723 32.441 31.823 -0.176 0.000 0.988 68 V HN 0.717 nan 8.190 nan 0.000 0.478 69 c N 4.512 123.072 118.600 -0.067 0.000 2.665 69 c HA 0.051 4.644 4.570 0.040 0.000 0.416 69 c C 0.545 174.582 174.090 -0.089 0.000 1.305 69 c CA -0.470 55.826 56.329 -0.054 0.000 1.903 69 c CB -0.908 41.598 42.510 -0.006 0.000 2.704 69 c HN 0.755 nan 8.230 nan 0.000 0.629 70 Y N 3.901 124.055 120.300 -0.244 0.000 2.632 70 Y HA 0.263 4.837 4.550 0.040 0.000 0.329 70 Y C 0.747 176.660 175.900 0.022 0.000 1.174 70 Y CA 0.941 58.899 58.100 -0.237 0.000 1.469 70 Y CB 0.105 38.201 38.460 -0.606 0.000 1.242 70 Y HN 0.730 nan 8.280 nan 0.000 0.540 71 Q N 4.520 124.271 119.800 -0.083 0.000 2.482 71 Q HA 0.215 4.579 4.340 0.040 0.000 0.286 71 Q C -1.745 174.347 176.000 0.152 0.000 1.007 71 Q CA -1.220 54.694 55.803 0.185 0.000 0.801 71 Q CB 1.290 30.095 28.738 0.112 0.000 1.455 71 Q HN 0.683 nan 8.270 nan 0.000 0.398 72 Y N 1.243 121.673 120.300 0.217 0.000 2.712 72 Y HA 0.262 4.836 4.550 0.039 0.000 0.333 72 Y C -0.947 175.016 175.900 0.104 0.000 1.225 72 Y CA 0.356 58.554 58.100 0.164 0.000 1.499 72 Y CB 0.768 39.344 38.460 0.193 0.000 1.288 72 Y HN 0.427 nan 8.280 nan 0.000 0.575 73 V N 7.094 126.592 119.914 -0.692 0.000 2.398 73 V HA 0.088 4.232 4.120 0.040 0.000 0.286 73 V C -0.051 175.550 176.094 -0.823 0.000 1.026 73 V CA -1.115 60.862 62.300 -0.538 0.000 0.868 73 V CB 1.390 33.015 31.823 -0.331 0.000 0.982 73 V HN 0.793 nan 8.190 nan 0.000 0.443 74 D N 3.510 123.737 120.400 -0.288 0.000 2.424 74 D HA 0.087 4.751 4.640 0.040 0.000 0.244 74 D C 0.574 176.860 176.300 -0.023 0.000 1.134 74 D CA 0.472 54.468 54.000 -0.006 0.000 0.881 74 D CB 1.593 42.543 40.800 0.250 0.000 1.191 74 D HN 0.787 nan 8.370 nan 0.000 0.445 75 T N 1.297 115.871 114.554 0.033 0.000 3.475 75 T HA 0.021 4.395 4.350 0.040 0.000 0.310 75 T C 1.421 176.113 174.700 -0.013 0.000 0.963 75 T CA -0.482 61.623 62.100 0.008 0.000 0.985 75 T CB -0.098 68.750 68.868 -0.033 0.000 1.198 75 T HN 0.229 nan 8.240 nan 0.000 0.508 76 L N 0.831 122.037 121.223 -0.029 0.000 2.083 76 L HA 0.249 4.612 4.340 0.040 0.000 0.209 76 L C -0.427 176.114 176.870 -0.548 0.000 1.083 76 L CA 1.586 56.226 54.840 -0.333 0.000 0.752 76 L CB -0.393 41.370 42.059 -0.494 0.000 0.899 76 L HN 0.478 nan 8.230 nan 0.000 0.433 77 Y N -0.294 120.031 120.300 0.042 0.000 2.628 77 Y HA 0.422 4.996 4.550 0.040 0.000 0.354 77 Y C -2.319 173.617 175.900 0.060 0.000 1.061 77 Y CA -3.436 54.668 58.100 0.006 0.000 1.251 77 Y CB 0.063 38.475 38.460 -0.080 0.000 1.098 77 Y HN 0.044 nan 8.280 nan 0.000 0.626 78 P HA 0.270 nan 4.420 nan 0.000 0.271 78 P C 1.034 178.385 177.300 0.085 0.000 1.226 78 P CA 0.933 64.083 63.100 0.084 0.000 0.765 78 P CB 1.223 32.943 31.700 0.035 0.000 0.835 79 G N 2.654 111.491 108.800 0.061 0.000 2.254 79 G HA2 -0.268 3.716 3.960 0.040 0.000 0.225 79 G HA3 -0.268 3.716 3.960 0.040 0.000 0.225 79 G C -0.107 174.821 174.900 0.047 0.000 1.003 79 G CA -0.465 44.655 45.100 0.032 0.000 0.622 79 G HN 0.530 nan 8.290 nan 0.000 0.507 80 F N 2.840 122.742 119.950 -0.080 0.000 2.506 80 F HA 0.545 5.095 4.527 0.039 0.000 0.371 80 F C 1.401 177.090 175.800 -0.186 0.000 1.078 80 F CA 0.170 58.073 58.000 -0.162 0.000 1.195 80 F CB 1.007 39.886 39.000 -0.201 0.000 1.099 80 F HN 0.280 nan 8.300 nan 0.000 0.548 81 E N 3.741 123.453 120.200 -0.812 0.000 2.085 81 E HA -0.139 4.235 4.350 0.040 0.000 0.194 81 E C 2.206 178.259 176.600 -0.912 0.000 0.994 81 E CA 1.385 57.350 56.400 -0.724 0.000 0.801 81 E CB -0.323 29.035 29.700 -0.571 0.000 0.743 81 E HN 1.010 nan 8.360 nan 0.000 0.453 82 G N -0.288 107.419 108.800 -1.822 0.000 2.462 82 G HA2 -0.321 3.663 3.960 0.040 0.000 0.220 82 G HA3 -0.321 3.663 3.960 0.040 0.000 0.220 82 G C 1.647 176.435 174.900 -0.186 0.000 1.121 82 G CA 1.663 45.993 45.100 -1.283 0.000 0.758 82 G HN 0.476 nan 8.290 nan 0.000 0.559 83 T N -2.331 112.159 114.554 -0.106 0.000 3.033 83 T HA 0.182 4.556 4.350 0.040 0.000 0.248 83 T C 1.943 176.771 174.700 0.213 0.000 1.040 83 T CA 0.889 63.233 62.100 0.407 0.000 1.133 83 T CB 0.099 69.283 68.868 0.527 0.000 0.895 83 T HN 0.286 nan 8.240 nan 0.000 0.465 84 E N 1.351 121.537 120.200 -0.024 0.000 2.274 84 E HA 0.047 4.421 4.350 0.040 0.000 0.194 84 E C 2.132 178.620 176.600 -0.187 0.000 0.996 84 E CA 0.817 57.170 56.400 -0.078 0.000 0.840 84 E CB -0.321 29.312 29.700 -0.112 0.000 0.772 84 E HN 0.718 nan 8.360 nan 0.000 0.491 85 M N -1.201 118.193 119.600 -0.343 0.000 2.446 85 M HA -0.114 4.390 4.480 0.040 0.000 0.263 85 M C 0.746 176.629 176.300 -0.695 0.000 1.066 85 M CA 1.412 56.364 55.300 -0.580 0.000 1.087 85 M CB -0.192 31.965 32.600 -0.739 0.000 1.406 85 M HN 0.073 nan 8.290 nan 0.000 0.459 86 W N 0.855 122.073 121.300 -0.136 0.000 3.114 86 W HA 0.274 4.958 4.660 0.039 0.000 0.279 86 W C 0.390 176.807 176.519 -0.170 0.000 1.277 86 W CA -0.936 56.313 57.345 -0.160 0.000 1.630 86 W CB -0.176 29.232 29.460 -0.087 0.000 1.087 86 W HN 0.110 nan 8.180 nan 0.000 0.637 87 N N 1.660 120.364 118.700 0.006 0.000 2.482 87 N HA 0.103 4.866 4.740 0.040 0.000 0.260 87 N C -2.437 172.989 175.510 -0.140 0.000 1.236 87 N CA -1.388 51.628 53.050 -0.058 0.000 0.938 87 N CB -0.064 38.385 38.487 -0.063 0.000 1.128 87 N HN -0.330 nan 8.380 nan 0.000 0.448 88 P HA 0.011 nan 4.420 nan 0.000 0.261 88 P C 0.341 177.532 177.300 -0.182 0.000 1.183 88 P CA 0.086 63.071 63.100 -0.190 0.000 0.761 88 P CB 0.251 31.833 31.700 -0.196 0.000 0.785 89 N N 2.954 121.533 118.700 -0.202 0.000 2.236 89 N HA 0.031 4.795 4.740 0.040 0.000 0.196 89 N C 0.254 175.676 175.510 -0.147 0.000 1.114 89 N CA 0.248 53.190 53.050 -0.181 0.000 0.859 89 N CB 0.282 38.643 38.487 -0.209 0.000 0.982 89 N HN 0.157 nan 8.380 nan 0.000 0.493 90 R N 0.290 120.701 120.500 -0.149 0.000 2.930 90 R HA 0.344 4.708 4.340 0.040 0.000 0.257 90 R C -0.038 176.190 176.300 -0.120 0.000 1.107 90 R CA -0.723 55.309 56.100 -0.114 0.000 0.999 90 R CB 0.458 30.700 30.300 -0.096 0.000 1.209 90 R HN 0.081 nan 8.270 nan 0.000 0.486 91 E N 1.426 121.566 120.200 -0.100 0.000 2.481 91 E HA 0.005 4.379 4.350 0.040 0.000 0.263 91 E C -0.105 176.424 176.600 -0.120 0.000 0.992 91 E CA 0.324 56.664 56.400 -0.099 0.000 0.938 91 E CB 0.362 30.018 29.700 -0.074 0.000 0.933 91 E HN 0.261 nan 8.360 nan 0.000 0.453 92 L N 1.787 122.922 121.223 -0.147 0.000 2.326 92 L HA 0.312 4.676 4.340 0.040 0.000 0.278 92 L C 0.630 177.469 176.870 -0.053 0.000 1.092 92 L CA -0.159 54.556 54.840 -0.210 0.000 0.810 92 L CB 1.119 42.876 42.059 -0.504 0.000 1.153 92 L HN 0.338 nan 8.230 nan 0.000 0.439 93 S N 0.746 116.441 115.700 -0.007 0.000 2.537 93 S HA 0.214 4.708 4.470 0.040 0.000 0.271 93 S C 0.278 174.876 174.600 -0.005 0.000 1.148 93 S CA -0.651 57.581 58.200 0.054 0.000 0.868 93 S CB 1.623 64.825 63.200 0.003 0.000 1.115 93 S HN 0.749 nan 8.310 nan 0.000 0.461 94 E N 0.969 121.116 120.200 -0.089 0.000 2.204 94 E HA -0.084 4.290 4.350 0.040 0.000 0.194 94 E C -0.231 176.304 176.600 -0.109 0.000 0.989 94 E CA 0.550 56.823 56.400 -0.211 0.000 0.824 94 E CB 0.043 29.565 29.700 -0.297 0.000 0.756 94 E HN 0.556 nan 8.360 nan 0.000 0.477 95 D N 0.438 120.810 120.400 -0.045 0.000 2.359 95 D HA -0.022 4.642 4.640 0.040 0.000 0.250 95 D C 0.098 176.477 176.300 0.132 0.000 1.264 95 D CA -0.116 53.897 54.000 0.022 0.000 0.911 95 D CB 0.196 41.025 40.800 0.049 0.000 1.056 95 D HN 0.171 nan 8.370 nan 0.000 0.499 96 c N 2.721 121.390 118.600 0.115 0.000 4.183 96 c HA 0.277 4.871 4.570 0.040 0.000 0.332 96 c C 0.602 174.777 174.090 0.142 0.000 2.007 96 c CA -0.630 55.825 56.329 0.212 0.000 1.657 96 c CB -1.173 41.381 42.510 0.074 0.000 3.022 96 c HN 0.474 nan 8.230 nan 0.000 0.579 97 L N 2.485 123.533 121.223 -0.292 0.000 2.384 97 L HA 0.380 4.744 4.340 0.040 0.000 0.258 97 L C -0.866 175.391 176.870 -1.021 0.000 1.266 97 L CA 0.648 55.070 54.840 -0.696 0.000 1.162 97 L CB -0.832 40.633 42.059 -0.990 0.000 1.375 97 L HN 0.401 nan 8.230 nan 0.000 0.420 98 Y N 1.744 122.026 120.300 -0.031 0.000 2.576 98 Y HA 0.659 5.233 4.550 0.040 0.000 0.346 98 Y C -0.091 175.981 175.900 0.287 0.000 1.018 98 Y CA -1.298 56.861 58.100 0.098 0.000 1.050 98 Y CB 2.018 40.483 38.460 0.009 0.000 1.280 98 Y HN 0.176 nan 8.280 nan 0.000 0.474 99 L N -0.029 121.360 121.223 0.275 0.000 2.333 99 L HA 0.744 5.108 4.340 0.040 0.000 0.263 99 L C -1.293 175.578 176.870 0.000 0.000 1.014 99 L CA -1.234 53.659 54.840 0.088 0.000 0.820 99 L CB 1.827 43.767 42.059 -0.198 0.000 1.352 99 L HN 0.503 nan 8.230 nan 0.000 0.421 100 N N 0.703 119.417 118.700 0.023 0.000 2.269 100 N HA 0.684 5.447 4.740 0.040 0.000 0.304 100 N C -1.417 173.989 175.510 -0.173 0.000 1.072 100 N CA -0.520 52.441 53.050 -0.148 0.000 0.802 100 N CB 2.946 41.326 38.487 -0.179 0.000 1.348 100 N HN 0.478 nan 8.380 nan 0.000 0.484 101 V N 1.523 121.270 119.914 -0.279 0.000 2.487 101 V HA 0.443 4.587 4.120 0.040 0.000 0.298 101 V C -0.599 175.424 176.094 -0.118 0.000 1.028 101 V CA -0.787 61.447 62.300 -0.109 0.000 0.860 101 V CB 1.969 33.621 31.823 -0.284 0.000 0.991 101 V HN 0.571 nan 8.190 nan 0.000 0.427 102 W N 2.798 124.192 121.300 0.157 0.000 2.551 102 W HA 0.689 5.374 4.660 0.040 0.000 0.330 102 W C 0.190 176.819 176.519 0.184 0.000 1.063 102 W CA -0.476 56.962 57.345 0.155 0.000 1.222 102 W CB 2.423 31.948 29.460 0.107 0.000 1.349 102 W HN 0.645 nan 8.180 nan 0.000 0.536 103 T N -0.431 114.378 114.554 0.425 0.000 2.865 103 T HA 0.532 4.906 4.350 0.040 0.000 0.294 103 T C -2.854 172.017 174.700 0.285 0.000 1.119 103 T CA -2.419 59.885 62.100 0.340 0.000 1.007 103 T CB 2.102 71.196 68.868 0.377 0.000 1.225 103 T HN -0.079 nan 8.240 nan 0.000 0.515 104 P HA 0.267 nan 4.420 nan 0.000 0.272 104 P C -1.590 175.849 177.300 0.232 0.000 1.230 104 P CA -0.288 62.929 63.100 0.195 0.000 0.788 104 P CB 0.132 31.915 31.700 0.137 0.000 0.949 105 Y N 3.109 123.461 120.300 0.087 0.000 2.338 105 Y HA 0.420 4.994 4.550 0.040 0.000 0.328 105 Y C -2.260 173.672 175.900 0.054 0.000 0.965 105 Y CA -2.579 55.564 58.100 0.072 0.000 1.208 105 Y CB 1.130 39.620 38.460 0.049 0.000 1.132 105 Y HN 0.312 nan 8.280 nan 0.000 0.469 106 P HA 0.182 nan 4.420 nan 0.000 0.275 106 P C -0.844 176.417 177.300 -0.065 0.000 1.228 106 P CA -0.516 62.404 63.100 -0.300 0.000 0.786 106 P CB 0.946 32.503 31.700 -0.238 0.000 0.927 107 R N 2.908 123.387 120.500 -0.035 0.000 2.543 107 R HA -0.053 4.311 4.340 0.040 0.000 0.280 107 R C -1.860 174.463 176.300 0.039 0.000 0.885 107 R CA -0.052 56.082 56.100 0.056 0.000 1.130 107 R CB -1.319 29.004 30.300 0.038 0.000 0.871 107 R HN 0.406 nan 8.270 nan 0.000 0.424 108 P HA -0.059 nan 4.420 nan 0.000 0.266 108 P C -0.368 176.949 177.300 0.027 0.000 1.193 108 P CA 0.518 63.648 63.100 0.051 0.000 0.770 108 P CB 0.821 32.561 31.700 0.067 0.000 0.836 109 A N 2.484 125.314 122.820 0.016 0.000 1.873 109 A HA -0.018 4.326 4.320 0.040 0.000 0.215 109 A C 1.013 178.601 177.584 0.006 0.000 1.186 109 A CA 1.761 53.801 52.037 0.005 0.000 0.616 109 A CB -0.865 18.137 19.000 0.002 0.000 0.823 109 A HN 0.649 nan 8.150 nan 0.000 0.442 110 S N -1.200 114.507 115.700 0.011 0.000 2.607 110 S HA 0.638 5.132 4.470 0.040 0.000 0.303 110 S C -3.167 171.443 174.600 0.015 0.000 1.086 110 S CA -1.879 56.326 58.200 0.008 0.000 0.995 110 S CB 1.147 64.349 63.200 0.003 0.000 1.084 110 S HN 0.014 nan 8.310 nan 0.000 0.507 111 P HA 0.190 nan 4.420 nan 0.000 0.261 111 P C -0.641 176.669 177.300 0.017 0.000 1.183 111 P CA 0.320 63.429 63.100 0.016 0.000 0.761 111 P CB 0.103 31.804 31.700 0.002 0.000 0.785 112 T N 4.995 119.569 114.554 0.034 0.000 2.855 112 T HA 0.420 4.793 4.350 0.040 0.000 0.281 112 T C -2.452 172.265 174.700 0.029 0.000 1.007 112 T CA -2.048 60.073 62.100 0.034 0.000 1.009 112 T CB 0.905 69.808 68.868 0.059 0.000 0.983 112 T HN 0.126 nan 8.240 nan 0.000 0.455 113 P HA 0.114 nan 4.420 nan 0.000 0.264 113 P C -0.950 176.374 177.300 0.039 0.000 1.179 113 P CA -0.079 63.023 63.100 0.002 0.000 0.763 113 P CB 0.366 32.053 31.700 -0.022 0.000 0.806 114 V N 5.352 125.301 119.914 0.058 0.000 2.384 114 V HA 0.260 4.404 4.120 0.040 0.000 0.287 114 V C 0.116 176.279 176.094 0.116 0.000 1.020 114 V CA -0.502 61.861 62.300 0.105 0.000 0.850 114 V CB 1.290 33.190 31.823 0.128 0.000 0.987 114 V HN 0.293 nan 8.190 nan 0.000 0.436 115 L N 6.303 127.605 121.223 0.131 0.000 2.295 115 L HA 0.560 4.923 4.340 0.040 0.000 0.285 115 L C -0.207 176.899 176.870 0.394 0.000 1.035 115 L CA 0.128 55.073 54.840 0.175 0.000 0.806 115 L CB 1.359 43.362 42.059 -0.093 0.000 1.214 115 L HN 0.447 nan 8.230 nan 0.000 0.426 116 I N 2.613 123.459 120.570 0.460 0.000 2.354 116 I HA 0.183 4.377 4.170 0.040 0.000 0.286 116 I C -0.657 175.758 176.117 0.497 0.000 1.007 116 I CA -0.478 61.069 61.300 0.412 0.000 1.167 116 I CB 0.996 39.112 38.000 0.193 0.000 1.320 116 I HN 0.654 nan 8.210 nan 0.000 0.458 117 W N 8.455 129.887 121.300 0.220 0.000 2.272 117 W HA 0.522 5.205 4.660 0.039 0.000 0.318 117 W C -1.381 175.034 176.519 -0.173 0.000 1.255 117 W CA -0.505 56.696 57.345 -0.240 0.000 1.200 117 W CB 1.069 30.438 29.460 -0.153 0.000 1.170 117 W HN 0.360 nan 8.180 nan 0.000 0.549 118 I N 9.082 129.011 120.570 -1.067 0.000 2.411 118 I HA 0.066 4.260 4.170 0.040 0.000 0.284 118 I C -0.189 175.059 176.117 -1.448 0.000 1.012 118 I CA -1.117 59.603 61.300 -0.967 0.000 1.119 118 I CB 0.678 38.301 38.000 -0.629 0.000 1.261 118 I HN 0.313 nan 8.210 nan 0.000 0.448 119 Y N 4.709 124.440 120.300 -0.950 0.000 2.459 119 Y HA 0.628 5.202 4.550 0.039 0.000 0.349 119 Y C 0.763 176.455 175.900 -0.347 0.000 1.266 119 Y CA -0.633 57.053 58.100 -0.689 0.000 1.483 119 Y CB -0.102 38.215 38.460 -0.239 0.000 1.362 119 Y HN 0.518 nan 8.280 nan 0.000 0.628 120 G N -1.264 107.543 108.800 0.011 0.000 2.828 120 G HA2 0.507 4.491 3.960 0.040 0.000 0.244 120 G HA3 0.507 4.491 3.960 0.040 0.000 0.244 120 G C 0.171 175.008 174.900 -0.105 0.000 1.365 120 G CA -0.984 44.053 45.100 -0.106 0.000 1.041 120 G HN 1.728 nan 8.290 nan 0.000 0.560 121 G N -2.428 106.155 108.800 -0.361 0.000 2.245 121 G HA2 0.393 4.377 3.960 0.040 0.000 0.116 121 G HA3 0.393 4.377 3.960 0.040 0.000 0.116 121 G C 1.067 175.434 174.900 -0.889 0.000 1.054 121 G CA 0.656 45.395 45.100 -0.601 0.000 0.728 121 G HN 2.324 nan 8.290 nan 0.000 0.483 122 G N -0.342 107.922 108.800 -0.892 0.000 2.296 122 G HA2 -0.118 3.865 3.960 0.040 0.000 0.282 122 G HA3 -0.118 3.865 3.960 0.040 0.000 0.282 122 G C 0.956 175.596 174.900 -0.433 0.000 1.014 122 G CA 0.836 45.159 45.100 -1.296 0.000 0.812 122 G HN 1.893 nan 8.290 nan 0.000 0.508 123 F N -3.478 116.377 119.950 -0.159 0.000 3.021 123 F HA -0.349 4.202 4.527 0.040 0.000 0.294 123 F C 1.521 177.468 175.800 0.245 0.000 0.761 123 F CA 2.092 60.139 58.000 0.078 0.000 1.102 123 F CB -2.167 36.704 39.000 -0.216 0.000 1.380 123 F HN 0.818 nan 8.300 nan 0.000 0.387 124 Y N -1.015 119.392 120.300 0.178 0.000 2.430 124 Y HA 0.593 5.166 4.550 0.039 0.000 0.248 124 Y C 0.779 176.787 175.900 0.181 0.000 1.108 124 Y CA 0.322 58.566 58.100 0.240 0.000 1.264 124 Y CB -0.013 38.572 38.460 0.208 0.000 1.172 124 Y HN 0.073 nan 8.280 nan 0.000 0.520 125 S N -0.790 114.624 115.700 -0.477 0.000 2.776 125 S HA 0.889 5.383 4.470 0.040 0.000 0.292 125 S C -0.067 174.328 174.600 -0.341 0.000 1.187 125 S CA -0.532 57.432 58.200 -0.394 0.000 0.834 125 S CB 1.484 64.334 63.200 -0.583 0.000 1.199 125 S HN 1.322 nan 8.310 nan 0.000 0.514 126 G N -0.743 107.825 108.800 -0.387 0.000 2.497 126 G HA2 0.534 4.518 3.960 0.040 0.000 0.686 126 G HA3 0.534 4.518 3.960 0.040 0.000 0.686 126 G C -0.634 173.629 174.900 -1.061 0.000 1.288 126 G CA -0.284 44.409 45.100 -0.678 0.000 0.899 126 G HN 2.264 nan 8.290 nan 0.000 0.608 127 A N -1.222 120.808 122.820 -1.317 0.000 2.590 127 A HA 0.973 5.317 4.320 0.040 0.000 0.296 127 A C 0.540 177.949 177.584 -0.292 0.000 1.050 127 A CA 0.768 52.333 52.037 -0.788 0.000 0.697 127 A CB 0.714 19.476 19.000 -0.397 0.000 1.277 127 A HN 2.602 nan 8.150 nan 0.000 0.411 128 A N 0.456 123.333 122.820 0.095 0.000 2.206 128 A HA 0.260 4.604 4.320 0.040 0.000 0.211 128 A C 1.630 179.246 177.584 0.053 0.000 1.158 128 A CA 1.823 54.087 52.037 0.379 0.000 0.761 128 A CB -0.556 18.725 19.000 0.469 0.000 0.801 128 A HN 1.735 nan 8.150 nan 0.000 0.473 129 S N -0.388 115.081 115.700 -0.384 0.000 2.575 129 S HA 0.307 4.801 4.470 0.040 0.000 0.215 129 S C 0.499 174.656 174.600 -0.739 0.000 0.966 129 S CA -0.431 57.064 58.200 -1.176 0.000 0.911 129 S CB -0.492 61.972 63.200 -1.228 0.000 0.780 129 S HN 0.404 nan 8.310 nan 0.000 0.514 130 L N 2.484 123.426 121.223 -0.469 0.000 2.485 130 L HA 0.134 4.498 4.340 0.040 0.000 0.275 130 L C 1.083 177.629 176.870 -0.540 0.000 1.207 130 L CA -0.420 54.089 54.840 -0.551 0.000 0.855 130 L CB 0.209 41.800 42.059 -0.780 0.000 1.114 130 L HN 0.056 nan 8.230 nan 0.000 0.485 131 D N 1.341 121.471 120.400 -0.450 0.000 2.182 131 D HA -0.143 4.521 4.640 0.040 0.000 0.201 131 D C 1.964 178.018 176.300 -0.410 0.000 0.986 131 D CA 1.263 55.068 54.000 -0.326 0.000 0.847 131 D CB 0.040 40.687 40.800 -0.255 0.000 0.942 131 D HN 0.539 nan 8.370 nan 0.000 0.467 132 V N -1.483 118.046 119.914 -0.641 0.000 3.141 132 V HA -0.137 4.007 4.120 0.040 0.000 0.265 132 V C 0.963 176.540 176.094 -0.862 0.000 1.126 132 V CA 0.934 62.839 62.300 -0.659 0.000 1.141 132 V CB -1.107 30.304 31.823 -0.686 0.000 0.743 132 V HN 0.054 nan 8.190 nan 0.000 0.492 133 Y N 0.411 120.195 120.300 -0.860 0.000 2.683 133 Y HA 0.461 5.035 4.550 0.039 0.000 0.297 133 Y C 0.721 176.023 175.900 -0.996 0.000 1.147 133 Y CA -2.063 55.149 58.100 -1.479 0.000 1.274 133 Y CB -0.833 37.160 38.460 -0.779 0.000 1.143 133 Y HN 0.227 nan 8.280 nan 0.000 0.527 134 D N 0.808 120.896 120.400 -0.520 0.000 2.346 134 D HA 0.072 4.736 4.640 0.040 0.000 0.260 134 D C 1.355 177.342 176.300 -0.522 0.000 1.252 134 D CA 0.285 54.073 54.000 -0.353 0.000 0.895 134 D CB 1.290 42.021 40.800 -0.115 0.000 1.097 134 D HN 0.489 nan 8.370 nan 0.000 0.489 135 G N 3.894 111.781 108.800 -1.521 0.000 2.956 135 G HA2 -0.166 3.818 3.960 0.040 0.000 0.207 135 G HA3 -0.166 3.818 3.960 0.040 0.000 0.207 135 G C 1.456 175.735 174.900 -1.035 0.000 1.162 135 G CA 0.188 44.549 45.100 -1.231 0.000 0.796 135 G HN 0.604 nan 8.290 nan 0.000 0.527 136 R N -0.978 118.881 120.500 -1.068 0.000 2.093 136 R HA 0.104 4.468 4.340 0.040 0.000 0.224 136 R C 1.685 177.731 176.300 -0.424 0.000 1.101 136 R CA 0.849 56.567 56.100 -0.638 0.000 0.979 136 R CB -0.585 29.365 30.300 -0.584 0.000 0.877 136 R HN 0.270 nan 8.270 nan 0.000 0.441 137 F N 1.764 121.617 119.950 -0.162 0.000 2.084 137 F HA 0.009 4.560 4.527 0.040 0.000 0.296 137 F C 2.287 178.026 175.800 -0.103 0.000 1.111 137 F CA 0.991 58.924 58.000 -0.111 0.000 1.224 137 F CB -0.630 38.297 39.000 -0.122 0.000 0.991 137 F HN -0.135 nan 8.300 nan 0.000 0.471 138 L N -0.092 121.157 121.223 0.044 0.000 2.042 138 L HA -0.249 4.115 4.340 0.040 0.000 0.210 138 L C 2.750 179.619 176.870 -0.002 0.000 1.076 138 L CA 1.193 56.014 54.840 -0.032 0.000 0.749 138 L CB -1.095 40.887 42.059 -0.128 0.000 0.893 138 L HN 0.195 nan 8.230 nan 0.000 0.432 139 A N -0.736 122.087 122.820 0.006 0.000 1.865 139 A HA -0.284 4.060 4.320 0.040 0.000 0.217 139 A C 2.309 179.933 177.584 0.067 0.000 1.191 139 A CA 1.930 54.012 52.037 0.075 0.000 0.623 139 A CB -0.653 18.435 19.000 0.147 0.000 0.826 139 A HN 0.434 nan 8.150 nan 0.000 0.444 140 Q N -0.261 119.563 119.800 0.040 0.000 2.079 140 Q HA -0.096 4.268 4.340 0.040 0.000 0.200 140 Q C 2.184 178.214 176.000 0.050 0.000 0.974 140 Q CA 2.071 57.904 55.803 0.050 0.000 0.840 140 Q CB -0.209 28.545 28.738 0.026 0.000 0.898 140 Q HN 0.441 nan 8.270 nan 0.000 0.430 141 V N 1.093 121.034 119.914 0.045 0.000 2.379 141 V HA -0.110 4.033 4.120 0.040 0.000 0.243 141 V C 1.733 177.839 176.094 0.021 0.000 1.035 141 V CA 1.527 63.847 62.300 0.034 0.000 1.035 141 V CB -0.211 31.630 31.823 0.029 0.000 0.673 141 V HN 0.226 nan 8.190 nan 0.000 0.457 142 E N 0.098 120.307 120.200 0.014 0.000 2.474 142 E HA 0.186 4.559 4.350 0.040 0.000 0.195 142 E C 1.664 178.276 176.600 0.021 0.000 1.039 142 E CA 0.707 57.111 56.400 0.008 0.000 0.881 142 E CB 0.210 29.904 29.700 -0.009 0.000 0.970 142 E HN 0.615 nan 8.360 nan 0.000 0.486 143 G N 1.699 110.521 108.800 0.037 0.000 2.225 143 G HA2 -0.310 3.674 3.960 0.040 0.000 0.267 143 G HA3 -0.310 3.674 3.960 0.040 0.000 0.267 143 G C 0.503 175.438 174.900 0.059 0.000 1.024 143 G CA 0.436 45.567 45.100 0.052 0.000 0.784 143 G HN 0.494 nan 8.290 nan 0.000 0.507 144 A N -1.064 121.789 122.820 0.056 0.000 2.304 144 A HA 0.746 5.090 4.320 0.040 0.000 0.271 144 A C 0.423 178.077 177.584 0.116 0.000 1.091 144 A CA 0.020 52.095 52.037 0.062 0.000 0.812 144 A CB 1.308 20.325 19.000 0.027 0.000 1.056 144 A HN 1.108 nan 8.150 nan 0.000 0.489 145 V N 2.230 122.222 119.914 0.130 0.000 2.347 145 V HA 0.358 4.502 4.120 0.040 0.000 0.280 145 V C -0.260 175.957 176.094 0.206 0.000 1.021 145 V CA -0.113 62.297 62.300 0.183 0.000 0.847 145 V CB 0.798 32.723 31.823 0.169 0.000 0.990 145 V HN 0.704 nan 8.190 nan 0.000 0.444 146 L N 6.407 127.807 121.223 0.293 0.000 2.313 146 L HA 0.721 5.084 4.340 0.040 0.000 0.283 146 L C -0.724 176.435 176.870 0.481 0.000 1.013 146 L CA -0.286 54.775 54.840 0.367 0.000 0.816 146 L CB 1.769 44.031 42.059 0.339 0.000 1.236 146 L HN 0.426 nan 8.230 nan 0.000 0.419 147 V N 2.959 123.129 119.914 0.427 0.000 2.715 147 V HA 0.736 4.879 4.120 0.040 0.000 0.310 147 V C -0.357 176.009 176.094 0.453 0.000 1.054 147 V CA -0.458 62.060 62.300 0.364 0.000 0.928 147 V CB 1.981 33.940 31.823 0.228 0.000 1.007 147 V HN 0.847 nan 8.190 nan 0.000 0.437 148 S N 4.626 120.578 115.700 0.420 0.000 2.546 148 S HA 0.830 5.324 4.470 0.040 0.000 0.272 148 S C -0.934 173.831 174.600 0.274 0.000 1.140 148 S CA -0.831 57.620 58.200 0.418 0.000 0.920 148 S CB 2.151 65.739 63.200 0.647 0.000 1.083 148 S HN 0.897 nan 8.310 nan 0.000 0.476 149 M N 1.579 121.297 119.600 0.197 0.000 2.602 149 M HA 0.650 5.154 4.480 0.040 0.000 0.312 149 M C -1.570 174.934 176.300 0.341 0.000 1.181 149 M CA -0.530 54.878 55.300 0.180 0.000 0.910 149 M CB 1.162 33.713 32.600 -0.081 0.000 1.723 149 M HN 0.569 nan 8.290 nan 0.000 0.459 150 N N 2.522 121.488 118.700 0.443 0.000 2.518 150 N HA 0.550 5.314 4.740 0.040 0.000 0.283 150 N C -1.452 174.328 175.510 0.450 0.000 1.119 150 N CA 0.107 53.431 53.050 0.456 0.000 0.983 150 N CB 0.652 39.346 38.487 0.345 0.000 1.139 150 N HN 0.723 nan 8.380 nan 0.000 0.465 151 Y N -1.574 118.900 120.300 0.289 0.000 2.524 151 Y HA 0.564 5.138 4.550 0.039 0.000 0.347 151 Y C -0.013 176.024 175.900 0.228 0.000 1.005 151 Y CA -1.330 56.896 58.100 0.210 0.000 1.025 151 Y CB 0.875 39.399 38.460 0.106 0.000 1.275 151 Y HN 0.204 nan 8.280 nan 0.000 0.460 152 R N 1.899 122.539 120.500 0.234 0.000 2.570 152 R HA 0.456 4.820 4.340 0.040 0.000 0.277 152 R C -0.328 176.125 176.300 0.254 0.000 1.039 152 R CA -0.057 56.139 56.100 0.160 0.000 1.065 152 R CB 0.673 31.038 30.300 0.108 0.000 0.964 152 R HN 0.713 nan 8.270 nan 0.000 0.428 153 V N -0.341 119.765 119.914 0.320 0.000 3.158 153 V HA 0.875 5.019 4.120 0.040 0.000 0.315 153 V C 0.765 177.211 176.094 0.586 0.000 1.148 153 V CA -0.222 62.389 62.300 0.519 0.000 1.042 153 V CB 1.214 33.230 31.823 0.323 0.000 1.101 153 V HN 0.979 nan 8.190 nan 0.000 0.448 154 G N 1.842 111.044 108.800 0.669 0.000 2.578 154 G HA2 -0.286 3.698 3.960 0.040 0.000 0.275 154 G HA3 -0.286 3.698 3.960 0.040 0.000 0.275 154 G C 0.990 176.082 174.900 0.320 0.000 1.271 154 G CA 1.502 46.936 45.100 0.556 0.000 0.941 154 G HN 2.306 nan 8.290 nan 0.000 0.564 155 T N -1.484 112.982 114.554 -0.147 0.000 2.685 155 T HA -0.188 4.186 4.350 0.040 0.000 0.268 155 T C 2.101 176.684 174.700 -0.195 0.000 1.034 155 T CA 2.731 64.474 62.100 -0.596 0.000 1.149 155 T CB -0.475 67.910 68.868 -0.806 0.000 0.860 155 T HN 0.601 nan 8.240 nan 0.000 0.449 156 F N 2.232 122.263 119.950 0.135 0.000 2.134 156 F HA 0.200 4.751 4.527 0.040 0.000 0.299 156 F C 2.880 178.696 175.800 0.026 0.000 1.097 156 F CA 0.846 58.881 58.000 0.058 0.000 1.264 156 F CB -1.106 37.888 39.000 -0.010 0.000 1.001 156 F HN 0.349 nan 8.300 nan 0.000 0.479 157 G N -1.837 107.047 108.800 0.141 0.000 2.603 157 G HA2 -0.031 3.953 3.960 0.040 0.000 0.214 157 G HA3 -0.031 3.953 3.960 0.040 0.000 0.214 157 G C 0.890 175.334 174.900 -0.760 0.000 1.140 157 G CA 0.385 45.261 45.100 -0.373 0.000 0.800 157 G HN 0.372 nan 8.290 nan 0.000 0.533 158 F N -0.974 119.098 119.950 0.203 0.000 2.915 158 F HA 0.405 4.957 4.527 0.040 0.000 0.347 158 F C 0.424 176.334 175.800 0.182 0.000 1.104 158 F CA -1.029 57.074 58.000 0.172 0.000 1.126 158 F CB 0.285 39.405 39.000 0.199 0.000 1.145 158 F HN -0.093 nan 8.300 nan 0.000 0.541 159 L N 2.335 123.621 121.223 0.106 0.000 2.534 159 L HA 0.520 4.884 4.340 0.040 0.000 0.271 159 L C 0.020 176.864 176.870 -0.044 0.000 1.178 159 L CA 0.016 54.797 54.840 -0.098 0.000 0.907 159 L CB 0.237 41.932 42.059 -0.606 0.000 1.164 159 L HN 0.134 nan 8.230 nan 0.000 0.482 160 A N 6.153 129.015 122.820 0.069 0.000 2.371 160 A HA 0.695 5.039 4.320 0.040 0.000 0.311 160 A C -0.998 176.577 177.584 -0.016 0.000 1.068 160 A CA -0.608 51.438 52.037 0.015 0.000 0.744 160 A CB 1.298 20.338 19.000 0.067 0.000 1.239 160 A HN 0.716 nan 8.150 nan 0.000 0.435 161 L N 3.564 124.758 121.223 -0.049 0.000 2.426 161 L HA 0.321 4.685 4.340 0.040 0.000 0.255 161 L C -2.392 174.471 176.870 -0.012 0.000 1.080 161 L CA -1.562 53.257 54.840 -0.034 0.000 0.960 161 L CB 1.334 43.358 42.059 -0.059 0.000 1.326 161 L HN 0.416 nan 8.230 nan 0.000 0.441 162 P HA 0.074 nan 4.420 nan 0.000 0.264 162 P C 0.983 178.288 177.300 0.008 0.000 1.183 162 P CA 0.792 63.898 63.100 0.010 0.000 0.763 162 P CB 0.835 32.541 31.700 0.010 0.000 0.807 163 G N 1.531 110.340 108.800 0.015 0.000 2.217 163 G HA2 -0.231 3.753 3.960 0.040 0.000 0.246 163 G HA3 -0.231 3.753 3.960 0.040 0.000 0.246 163 G C 0.334 175.242 174.900 0.014 0.000 0.990 163 G CA 0.242 45.351 45.100 0.014 0.000 0.627 163 G HN 0.815 nan 8.290 nan 0.000 0.522 164 S N -0.281 115.426 115.700 0.012 0.000 2.610 164 S HA 0.672 5.166 4.470 0.040 0.000 0.273 164 S C 1.160 175.774 174.600 0.023 0.000 1.274 164 S CA 0.221 58.428 58.200 0.012 0.000 1.023 164 S CB 2.198 65.399 63.200 0.002 0.000 0.962 164 S HN 0.372 nan 8.310 nan 0.000 0.523 165 R N 0.526 121.042 120.500 0.026 0.000 2.093 165 R HA -0.026 4.338 4.340 0.040 0.000 0.224 165 R C 1.640 177.967 176.300 0.044 0.000 1.101 165 R CA 1.445 57.565 56.100 0.034 0.000 0.979 165 R CB -0.264 30.055 30.300 0.031 0.000 0.877 165 R HN 0.823 nan 8.270 nan 0.000 0.441 166 E N -0.393 119.833 120.200 0.043 0.000 2.076 166 E HA 0.019 4.393 4.350 0.040 0.000 0.190 166 E C 0.039 176.688 176.600 0.083 0.000 0.979 166 E CA 1.091 57.529 56.400 0.064 0.000 0.807 166 E CB 0.318 30.055 29.700 0.061 0.000 0.761 166 E HN 0.213 nan 8.360 nan 0.000 0.454 167 A N 0.975 123.816 122.820 0.035 0.000 2.978 167 A HA 0.304 4.647 4.320 0.040 0.000 0.341 167 A C -2.171 175.416 177.584 0.006 0.000 1.105 167 A CA -1.135 50.906 52.037 0.007 0.000 0.819 167 A CB 0.460 19.366 19.000 -0.157 0.000 1.080 167 A HN -0.038 nan 8.150 nan 0.000 0.476 168 P HA 0.195 nan 4.420 nan 0.000 0.240 168 P C 0.843 178.171 177.300 0.045 0.000 1.190 168 P CA 1.405 64.530 63.100 0.042 0.000 0.781 168 P CB 0.278 32.012 31.700 0.057 0.000 0.931 169 G N 1.023 109.850 108.800 0.046 0.000 2.730 169 G HA2 -0.188 3.796 3.960 0.040 0.000 0.686 169 G HA3 -0.188 3.796 3.960 0.040 0.000 0.686 169 G C -0.084 174.837 174.900 0.035 0.000 1.343 169 G CA -0.296 44.839 45.100 0.058 0.000 0.826 169 G HN 0.138 nan 8.290 nan 0.000 0.582 170 N N -2.394 116.335 118.700 0.049 0.000 2.753 170 N HA -0.291 4.472 4.740 0.040 0.000 0.251 170 N C 1.906 177.313 175.510 -0.171 0.000 1.097 170 N CA 2.405 55.425 53.050 -0.050 0.000 0.786 170 N CB -1.716 36.648 38.487 -0.204 0.000 1.137 170 N HN 1.935 nan 8.380 nan 0.000 0.566 171 V N -2.453 117.364 119.914 -0.162 0.000 2.490 171 V HA -0.046 4.098 4.120 0.040 0.000 0.250 171 V C 2.344 178.335 176.094 -0.171 0.000 1.061 171 V CA 2.346 64.579 62.300 -0.112 0.000 1.064 171 V CB -0.989 30.815 31.823 -0.033 0.000 0.670 171 V HN 0.281 nan 8.190 nan 0.000 0.461 172 G N 0.483 108.993 108.800 -0.483 0.000 2.422 172 G HA2 -0.171 3.813 3.960 0.040 0.000 0.218 172 G HA3 -0.171 3.813 3.960 0.040 0.000 0.218 172 G C 1.551 176.434 174.900 -0.027 0.000 1.146 172 G CA 1.252 46.180 45.100 -0.286 0.000 0.769 172 G HN 0.549 nan 8.290 nan 0.000 0.547 173 L N -0.200 120.963 121.223 -0.100 0.000 2.056 173 L HA 0.019 4.383 4.340 0.040 0.000 0.207 173 L C 2.883 179.778 176.870 0.042 0.000 1.078 173 L CA 0.527 55.261 54.840 -0.176 0.000 0.749 173 L CB -0.387 41.214 42.059 -0.763 0.000 0.901 173 L HN 0.178 nan 8.230 nan 0.000 0.433 174 L N -0.541 120.719 121.223 0.061 0.000 2.083 174 L HA -0.226 4.138 4.340 0.040 0.000 0.209 174 L C 2.242 179.246 176.870 0.222 0.000 1.083 174 L CA 0.930 55.901 54.840 0.219 0.000 0.752 174 L CB -0.721 41.447 42.059 0.182 0.000 0.899 174 L HN 0.272 nan 8.230 nan 0.000 0.433 175 D N 0.156 120.675 120.400 0.199 0.000 2.126 175 D HA -0.247 4.417 4.640 0.040 0.000 0.190 175 D C 2.284 178.744 176.300 0.268 0.000 1.001 175 D CA 1.441 55.633 54.000 0.319 0.000 0.841 175 D CB -0.307 40.691 40.800 0.330 0.000 0.949 175 D HN 0.419 nan 8.370 nan 0.000 0.446 176 Q N -0.086 119.807 119.800 0.156 0.000 2.084 176 Q HA -0.137 4.227 4.340 0.040 0.000 0.202 176 Q C 2.315 178.318 176.000 0.006 0.000 0.978 176 Q CA 1.047 56.864 55.803 0.024 0.000 0.844 176 Q CB -0.101 28.645 28.738 0.014 0.000 0.898 176 Q HN 0.229 nan 8.270 nan 0.000 0.426 177 R N 0.609 121.221 120.500 0.187 0.000 2.081 177 R HA -0.170 4.194 4.340 0.040 0.000 0.235 177 R C 2.209 178.576 176.300 0.111 0.000 1.131 177 R CA 0.973 57.174 56.100 0.168 0.000 0.960 177 R CB -0.219 30.280 30.300 0.332 0.000 0.856 177 R HN 0.214 nan 8.270 nan 0.000 0.436 178 L N 0.892 122.211 121.223 0.160 0.000 2.042 178 L HA -0.107 4.257 4.340 0.040 0.000 0.210 178 L C 2.311 179.205 176.870 0.040 0.000 1.076 178 L CA 2.157 57.113 54.840 0.194 0.000 0.749 178 L CB -0.765 41.515 42.059 0.369 0.000 0.893 178 L HN 0.271 nan 8.230 nan 0.000 0.432 179 A N -0.956 121.664 122.820 -0.333 0.000 1.908 179 A HA -0.204 4.140 4.320 0.040 0.000 0.218 179 A C 2.131 179.655 177.584 -0.100 0.000 1.181 179 A CA 1.994 53.685 52.037 -0.577 0.000 0.627 179 A CB -0.845 17.669 19.000 -0.809 0.000 0.818 179 A HN 0.414 nan 8.150 nan 0.000 0.445 180 L N -0.729 120.455 121.223 -0.065 0.000 2.083 180 L HA -0.155 4.209 4.340 0.040 0.000 0.209 180 L C 2.597 179.518 176.870 0.086 0.000 1.083 180 L CA 2.220 57.064 54.840 0.006 0.000 0.752 180 L CB -0.890 41.135 42.059 -0.057 0.000 0.899 180 L HN 0.571 nan 8.230 nan 0.000 0.433 181 Q N -1.667 118.195 119.800 0.103 0.000 2.123 181 Q HA -0.243 4.121 4.340 0.040 0.000 0.199 181 Q C 2.167 178.255 176.000 0.147 0.000 0.966 181 Q CA 1.545 57.418 55.803 0.116 0.000 0.845 181 Q CB -0.502 28.309 28.738 0.123 0.000 0.907 181 Q HN 0.502 nan 8.270 nan 0.000 0.439 182 W N -0.630 120.680 121.300 0.017 0.000 2.358 182 W HA -0.175 4.508 4.660 0.040 0.000 0.303 182 W C 1.713 178.258 176.519 0.045 0.000 1.208 182 W CA 1.728 59.100 57.345 0.044 0.000 1.274 182 W CB -0.162 29.317 29.460 0.033 0.000 1.138 182 W HN 0.001 nan 8.180 nan 0.000 0.515 183 V N 0.982 121.127 119.914 0.385 0.000 2.332 183 V HA -0.367 3.776 4.120 0.040 0.000 0.248 183 V C 2.538 178.654 176.094 0.036 0.000 1.055 183 V CA 2.095 64.531 62.300 0.227 0.000 1.038 183 V CB -1.111 30.855 31.823 0.237 0.000 0.651 183 V HN 0.228 nan 8.190 nan 0.000 0.450 184 Q N -0.040 119.786 119.800 0.045 0.000 2.096 184 Q HA -0.228 4.136 4.340 0.040 0.000 0.204 184 Q C 2.204 178.173 176.000 -0.053 0.000 0.982 184 Q CA 1.812 57.627 55.803 0.019 0.000 0.850 184 Q CB -0.269 28.491 28.738 0.037 0.000 0.901 184 Q HN 0.744 nan 8.270 nan 0.000 0.422 185 E N -0.493 119.630 120.200 -0.128 0.000 2.230 185 E HA -0.009 4.365 4.350 0.040 0.000 0.192 185 E C 1.336 177.774 176.600 -0.270 0.000 0.987 185 E CA 0.332 56.625 56.400 -0.179 0.000 0.841 185 E CB 0.254 29.844 29.700 -0.183 0.000 0.783 185 E HN 0.304 nan 8.360 nan 0.000 0.481 186 N N 0.074 118.517 118.700 -0.429 0.000 2.445 186 N HA 0.026 4.789 4.740 0.040 0.000 0.204 186 N C 1.620 177.038 175.510 -0.153 0.000 1.098 186 N CA 0.060 52.813 53.050 -0.496 0.000 0.859 186 N CB 0.382 38.102 38.487 -1.278 0.000 1.249 186 N HN 0.021 nan 8.380 nan 0.000 0.462 187 I N 2.595 123.123 120.570 -0.069 0.000 2.335 187 I HA -0.168 4.025 4.170 0.040 0.000 0.251 187 I C 2.167 178.416 176.117 0.219 0.000 1.129 187 I CA 0.642 62.053 61.300 0.184 0.000 1.402 187 I CB -0.358 37.716 38.000 0.123 0.000 1.069 187 I HN 0.075 nan 8.210 nan 0.000 0.424 188 A N 0.454 123.317 122.820 0.071 0.000 1.927 188 A HA -0.296 4.048 4.320 0.040 0.000 0.220 188 A C 2.507 180.096 177.584 0.008 0.000 1.185 188 A CA 2.208 54.264 52.037 0.032 0.000 0.639 188 A CB -1.364 17.627 19.000 -0.016 0.000 0.820 188 A HN 0.519 nan 8.150 nan 0.000 0.451 189 A N -1.730 121.055 122.820 -0.058 0.000 2.076 189 A HA 0.018 4.361 4.320 0.040 0.000 0.220 189 A C 1.578 178.960 177.584 -0.336 0.000 1.160 189 A CA 1.395 53.289 52.037 -0.239 0.000 0.653 189 A CB -0.680 18.079 19.000 -0.401 0.000 0.801 189 A HN 0.530 nan 8.150 nan 0.000 0.455 190 F N -1.134 118.775 119.950 -0.069 0.000 2.693 190 F HA 0.378 4.929 4.527 0.040 0.000 0.303 190 F C 1.835 177.649 175.800 0.023 0.000 1.097 190 F CA 0.456 58.434 58.000 -0.038 0.000 1.330 190 F CB 0.065 39.056 39.000 -0.014 0.000 1.067 190 F HN 0.329 nan 8.300 nan 0.000 0.565 191 G N 0.157 109.039 108.800 0.137 0.000 2.179 191 G HA2 -0.240 3.744 3.960 0.040 0.000 0.260 191 G HA3 -0.240 3.744 3.960 0.040 0.000 0.260 191 G C 0.833 175.800 174.900 0.112 0.000 0.977 191 G CA -0.156 45.005 45.100 0.100 0.000 0.641 191 G HN 0.738 nan 8.290 nan 0.000 0.533 192 G N -0.314 108.580 108.800 0.156 0.000 2.544 192 G HA2 0.415 4.399 3.960 0.040 0.000 0.242 192 G HA3 0.415 4.399 3.960 0.040 0.000 0.242 192 G C -0.473 174.474 174.900 0.078 0.000 1.247 192 G CA 0.501 45.674 45.100 0.123 0.000 0.840 192 G HN 0.268 nan 8.290 nan 0.000 0.578 193 D N 1.567 121.999 120.400 0.053 0.000 2.396 193 D HA 0.269 4.933 4.640 0.040 0.000 0.225 193 D C -1.117 175.197 176.300 0.024 0.000 1.121 193 D CA -2.348 51.664 54.000 0.020 0.000 0.853 193 D CB 1.822 42.616 40.800 -0.011 0.000 1.043 193 D HN 0.063 nan 8.370 nan 0.000 0.500 194 P HA -0.059 nan 4.420 nan 0.000 0.230 194 P C 1.098 178.455 177.300 0.095 0.000 1.158 194 P CA 0.599 63.741 63.100 0.071 0.000 0.769 194 P CB 0.172 31.904 31.700 0.054 0.000 0.807 195 M N -1.024 118.561 119.600 -0.025 0.000 2.505 195 M HA 0.103 4.607 4.480 0.040 0.000 0.230 195 M C 0.624 176.487 176.300 -0.728 0.000 1.153 195 M CA 0.418 55.595 55.300 -0.206 0.000 0.997 195 M CB 0.049 32.573 32.600 -0.127 0.000 1.606 195 M HN -0.169 nan 8.290 nan 0.000 0.481 196 S N 0.779 116.243 115.700 -0.392 0.000 2.486 196 S HA 0.343 4.837 4.470 0.040 0.000 0.144 196 S C -0.952 173.632 174.600 -0.028 0.000 1.542 196 S CA -0.501 57.513 58.200 -0.310 0.000 1.262 196 S CB 0.339 63.429 63.200 -0.184 0.000 1.462 196 S HN 0.022 nan 8.310 nan 0.000 0.381 197 V N 3.163 123.200 119.914 0.206 0.000 2.398 197 V HA 0.547 4.691 4.120 0.040 0.000 0.286 197 V C 0.107 176.364 176.094 0.273 0.000 1.026 197 V CA -0.305 62.151 62.300 0.261 0.000 0.868 197 V CB 1.766 33.784 31.823 0.325 0.000 0.982 197 V HN 0.675 nan 8.190 nan 0.000 0.443 198 T N 6.643 121.308 114.554 0.185 0.000 2.770 198 T HA 0.574 4.948 4.350 0.040 0.000 0.283 198 T C -0.222 174.617 174.700 0.231 0.000 0.988 198 T CA -0.366 61.847 62.100 0.189 0.000 0.957 198 T CB 0.824 69.744 68.868 0.087 0.000 0.930 198 T HN 0.339 nan 8.240 nan 0.000 0.443 199 L N 4.832 126.167 121.223 0.185 0.000 2.349 199 L HA 0.648 5.012 4.340 0.040 0.000 0.275 199 L C -0.290 176.788 176.870 0.348 0.000 1.115 199 L CA -0.756 54.161 54.840 0.129 0.000 0.820 199 L CB 0.209 42.114 42.059 -0.257 0.000 1.135 199 L HN 0.627 nan 8.230 nan 0.000 0.445 200 F N 0.485 120.516 119.950 0.135 0.000 2.613 200 F HA 0.979 5.530 4.527 0.039 0.000 0.314 200 F C -0.267 175.571 175.800 0.063 0.000 1.075 200 F CA -1.579 56.562 58.000 0.235 0.000 0.945 200 F CB 1.721 40.998 39.000 0.462 0.000 1.310 200 F HN 0.484 nan 8.300 nan 0.000 0.467 201 G N 1.046 109.754 108.800 -0.154 0.000 2.519 201 G HA2 0.467 4.451 3.960 0.040 0.000 0.292 201 G HA3 0.467 4.451 3.960 0.040 0.000 0.292 201 G C -2.612 172.088 174.900 -0.333 0.000 1.507 201 G CA -0.787 43.809 45.100 -0.839 0.000 0.806 201 G HN 0.877 nan 8.290 nan 0.000 0.523 202 E N 0.554 120.504 120.200 -0.418 0.000 2.288 202 E HA 0.687 5.061 4.350 0.040 0.000 0.268 202 E C 0.737 177.293 176.600 -0.073 0.000 0.885 202 E CA 0.300 56.693 56.400 -0.012 0.000 0.767 202 E CB 2.244 32.094 29.700 0.251 0.000 1.220 202 E HN 0.925 nan 8.360 nan 0.000 0.427 203 S N 2.284 118.005 115.700 0.036 0.000 4.054 203 S HA -0.396 4.098 4.470 0.040 0.000 0.618 203 S C 1.477 176.160 174.600 0.138 0.000 2.026 203 S CA 2.165 60.452 58.200 0.145 0.000 4.205 203 S CB -1.549 61.684 63.200 0.054 0.000 0.233 203 S HN 0.956 nan 8.310 nan 0.000 0.612 204 A N 0.980 123.755 122.820 -0.075 0.000 1.986 204 A HA 0.076 4.420 4.320 0.040 0.000 0.220 204 A C 2.554 179.894 177.584 -0.406 0.000 1.171 204 A CA 2.636 54.449 52.037 -0.374 0.000 0.640 204 A CB -1.694 16.669 19.000 -1.061 0.000 0.811 204 A HN 1.663 nan 8.150 nan 0.000 0.451 205 G N -0.446 108.155 108.800 -0.332 0.000 2.440 205 G HA2 -0.066 3.918 3.960 0.040 0.000 0.218 205 G HA3 -0.066 3.918 3.960 0.040 0.000 0.218 205 G C 1.747 176.479 174.900 -0.279 0.000 1.154 205 G CA 1.568 46.422 45.100 -0.409 0.000 0.767 205 G HN 0.833 nan 8.290 nan 0.000 0.552 206 A N 1.204 123.944 122.820 -0.134 0.000 1.877 206 A HA 0.274 4.618 4.320 0.040 0.000 0.216 206 A C 2.837 180.429 177.584 0.012 0.000 1.186 206 A CA 2.316 54.342 52.037 -0.019 0.000 0.620 206 A CB -0.884 18.166 19.000 0.082 0.000 0.822 206 A HN 0.879 nan 8.150 nan 0.000 0.443 207 A N -0.579 122.281 122.820 0.067 0.000 2.019 207 A HA -0.053 4.290 4.320 0.040 0.000 0.219 207 A C 2.399 180.015 177.584 0.054 0.000 1.164 207 A CA 2.034 54.105 52.037 0.057 0.000 0.644 207 A CB -0.718 18.340 19.000 0.098 0.000 0.805 207 A HN 0.457 nan 8.150 nan 0.000 0.449 208 S N -0.437 115.286 115.700 0.038 0.000 2.355 208 S HA -0.123 4.371 4.470 0.040 0.000 0.222 208 S C 1.903 176.498 174.600 -0.007 0.000 1.031 208 S CA 1.327 59.512 58.200 -0.026 0.000 0.993 208 S CB -0.535 62.594 63.200 -0.118 0.000 0.859 208 S HN 0.352 nan 8.310 nan 0.000 0.453 209 V N 1.922 121.837 119.914 0.002 0.000 2.324 209 V HA -0.228 3.916 4.120 0.040 0.000 0.250 209 V C 2.598 178.714 176.094 0.037 0.000 1.060 209 V CA 2.066 64.368 62.300 0.002 0.000 1.042 209 V CB -1.546 30.250 31.823 -0.046 0.000 0.650 209 V HN 0.607 nan 8.190 nan 0.000 0.450 210 G N -1.192 107.620 108.800 0.020 0.000 2.418 210 G HA2 -0.287 3.697 3.960 0.040 0.000 0.217 210 G HA3 -0.287 3.697 3.960 0.040 0.000 0.217 210 G C 1.634 176.565 174.900 0.053 0.000 1.158 210 G CA 1.137 46.250 45.100 0.022 0.000 0.771 210 G HN 0.436 nan 8.290 nan 0.000 0.545 211 M N -0.156 119.456 119.600 0.019 0.000 2.159 211 M HA -0.016 4.488 4.480 0.040 0.000 0.263 211 M C 2.391 178.765 176.300 0.123 0.000 1.063 211 M CA 1.054 56.385 55.300 0.052 0.000 1.110 211 M CB -0.258 32.328 32.600 -0.024 0.000 1.374 211 M HN 0.238 nan 8.290 nan 0.000 0.411 212 H N -0.321 118.873 119.070 0.206 0.000 2.387 212 H HA -0.083 4.497 4.556 0.040 0.000 0.299 212 H C 2.155 177.699 175.328 0.361 0.000 1.090 212 H CA 1.657 57.841 56.048 0.226 0.000 1.332 212 H CB -0.505 29.261 29.762 0.006 0.000 1.386 212 H HN 0.404 nan 8.280 nan 0.000 0.516 213 I N 0.747 121.594 120.570 0.461 0.000 2.264 213 I HA -0.249 3.945 4.170 0.040 0.000 0.248 213 I C 1.921 178.222 176.117 0.307 0.000 1.111 213 I CA 1.109 62.677 61.300 0.447 0.000 1.382 213 I CB -0.083 38.084 38.000 0.277 0.000 1.060 213 I HN 0.106 nan 8.210 nan 0.000 0.418 214 L N -0.955 120.405 121.223 0.227 0.000 2.611 214 L HA 0.127 4.490 4.340 0.040 0.000 0.229 214 L C 0.742 177.663 176.870 0.084 0.000 1.137 214 L CA 0.001 54.947 54.840 0.178 0.000 0.901 214 L CB -0.005 42.142 42.059 0.147 0.000 1.098 214 L HN 0.017 nan 8.230 nan 0.000 0.456 215 S N -0.190 115.530 115.700 0.034 0.000 2.596 215 S HA 0.241 4.735 4.470 0.040 0.000 0.318 215 S C 0.560 175.087 174.600 -0.121 0.000 1.097 215 S CA -0.627 57.475 58.200 -0.164 0.000 1.080 215 S CB 1.518 64.372 63.200 -0.575 0.000 0.991 215 S HN 0.173 nan 8.310 nan 0.000 0.471 216 L N 7.639 128.795 121.223 -0.112 0.000 2.042 216 L HA 0.115 4.479 4.340 0.040 0.000 0.210 216 L C -1.113 175.710 176.870 -0.079 0.000 1.076 216 L CA 2.102 56.895 54.840 -0.079 0.000 0.749 216 L CB -1.032 40.985 42.059 -0.070 0.000 0.893 216 L HN 0.483 nan 8.230 nan 0.000 0.432 217 P HA -0.114 nan 4.420 nan 0.000 0.216 217 P C 1.779 179.071 177.300 -0.013 0.000 1.150 217 P CA 1.622 64.682 63.100 -0.066 0.000 0.837 217 P CB -0.023 31.625 31.700 -0.087 0.000 0.786 218 S N -0.870 114.840 115.700 0.017 0.000 2.423 218 S HA -0.091 4.403 4.470 0.040 0.000 0.231 218 S C 1.848 176.573 174.600 0.209 0.000 1.014 218 S CA 0.758 59.079 58.200 0.202 0.000 0.965 218 S CB -0.496 62.969 63.200 0.441 0.000 0.785 218 S HN 0.085 nan 8.310 nan 0.000 0.495 219 R N 1.924 122.443 120.500 0.032 0.000 2.127 219 R HA -0.030 4.334 4.340 0.040 0.000 0.238 219 R C 2.249 178.349 176.300 -0.334 0.000 1.134 219 R CA 1.448 57.411 56.100 -0.229 0.000 0.975 219 R CB -1.355 28.842 30.300 -0.173 0.000 0.865 219 R HN 0.590 nan 8.270 nan 0.000 0.447 220 S N -0.077 115.521 115.700 -0.170 0.000 2.701 220 S HA 0.129 4.623 4.470 0.040 0.000 0.220 220 S C 1.487 176.003 174.600 -0.141 0.000 0.954 220 S CA 0.033 58.130 58.200 -0.173 0.000 0.936 220 S CB -0.199 62.945 63.200 -0.092 0.000 0.777 220 S HN 0.222 nan 8.310 nan 0.000 0.518 221 L N 0.037 121.212 121.223 -0.081 0.000 2.858 221 L HA 0.499 4.863 4.340 0.040 0.000 0.251 221 L C -0.034 176.931 176.870 0.158 0.000 1.149 221 L CA -0.328 54.549 54.840 0.061 0.000 0.955 221 L CB 0.119 42.261 42.059 0.138 0.000 1.289 221 L HN 0.519 nan 8.230 nan 0.000 0.542 222 F N -3.919 115.906 119.950 -0.208 0.000 2.745 222 F HA 0.495 5.046 4.527 0.040 0.000 0.316 222 F C 0.501 176.063 175.800 -0.397 0.000 1.155 222 F CA -0.975 56.926 58.000 -0.165 0.000 0.937 222 F CB 0.864 39.853 39.000 -0.018 0.000 1.361 222 F HN -0.148 nan 8.300 nan 0.000 0.472 223 H N -0.913 118.218 119.070 0.100 0.000 3.266 223 H HA 0.437 5.017 4.556 0.040 0.000 0.246 223 H C -0.141 175.215 175.328 0.045 0.000 0.998 223 H CA -0.088 55.939 56.048 -0.035 0.000 1.152 223 H CB 1.148 30.893 29.762 -0.027 0.000 1.466 223 H HN 0.395 nan 8.280 nan 0.000 0.481 224 R N 0.318 121.012 120.500 0.324 0.000 2.774 224 R HA 0.710 5.074 4.340 0.040 0.000 0.272 224 R C -1.466 175.081 176.300 0.412 0.000 1.000 224 R CA -0.631 55.621 56.100 0.254 0.000 0.906 224 R CB 2.965 33.217 30.300 -0.080 0.000 1.227 224 R HN 0.138 nan 8.270 nan 0.000 0.468 225 A N 1.220 124.294 122.820 0.424 0.000 2.515 225 A HA 0.700 5.044 4.320 0.040 0.000 0.298 225 A C -1.451 176.326 177.584 0.321 0.000 1.059 225 A CA -0.597 51.645 52.037 0.342 0.000 0.698 225 A CB 1.901 21.070 19.000 0.282 0.000 1.289 225 A HN 0.315 nan 8.150 nan 0.000 0.404 226 V N 2.036 122.101 119.914 0.251 0.000 2.531 226 V HA 0.501 4.645 4.120 0.040 0.000 0.301 226 V C -1.200 175.008 176.094 0.191 0.000 1.034 226 V CA -0.331 62.063 62.300 0.158 0.000 0.865 226 V CB 1.348 33.288 31.823 0.195 0.000 0.995 226 V HN 0.686 nan 8.190 nan 0.000 0.424 227 L N 5.171 126.474 121.223 0.133 0.000 2.318 227 L HA 0.516 4.880 4.340 0.040 0.000 0.277 227 L C 0.035 177.019 176.870 0.190 0.000 1.008 227 L CA -0.007 54.908 54.840 0.124 0.000 0.846 227 L CB 1.465 43.555 42.059 0.052 0.000 1.220 227 L HN 0.634 nan 8.230 nan 0.000 0.423 228 Q N 1.939 121.905 119.800 0.277 0.000 2.331 228 Q HA 0.453 4.817 4.340 0.040 0.000 0.257 228 Q C 0.276 176.421 176.000 0.241 0.000 0.957 228 Q CA -0.521 55.500 55.803 0.363 0.000 0.923 228 Q CB 1.217 30.266 28.738 0.518 0.000 1.212 228 Q HN 0.598 nan 8.270 nan 0.000 0.443 229 S N 0.867 116.691 115.700 0.208 0.000 3.641 229 S HA -0.150 4.343 4.470 0.040 0.000 0.346 229 S C 0.011 174.806 174.600 0.326 0.000 1.074 229 S CA 0.595 58.939 58.200 0.240 0.000 1.026 229 S CB -1.118 62.210 63.200 0.212 0.000 0.908 229 S HN 1.023 nan 8.310 nan 0.000 0.479 230 G N -0.654 108.301 108.800 0.258 0.000 2.489 230 G HA2 0.660 4.644 3.960 0.040 0.000 0.291 230 G HA3 0.660 4.644 3.960 0.040 0.000 0.291 230 G C -0.967 174.024 174.900 0.151 0.000 1.487 230 G CA 0.294 45.601 45.100 0.345 0.000 0.795 230 G HN 1.029 nan 8.290 nan 0.000 0.513 231 T N -1.803 112.786 114.554 0.058 0.000 2.885 231 T HA 0.711 5.085 4.350 0.040 0.000 0.322 231 T C -2.500 172.080 174.700 -0.201 0.000 1.387 231 T CA -1.131 60.922 62.100 -0.078 0.000 1.041 231 T CB 2.854 71.657 68.868 -0.109 0.000 1.287 231 T HN 0.313 nan 8.240 nan 0.000 0.491 232 P HA 0.008 nan 4.420 nan 0.000 0.222 232 P C 0.361 177.517 177.300 -0.240 0.000 1.153 232 P CA 0.620 63.614 63.100 -0.177 0.000 0.798 232 P CB -0.070 31.579 31.700 -0.084 0.000 0.796 233 N N 0.724 119.298 118.700 -0.210 0.000 2.327 233 N HA 0.286 5.050 4.740 0.040 0.000 0.257 233 N C 0.744 176.049 175.510 -0.341 0.000 1.281 233 N CA 0.662 53.580 53.050 -0.221 0.000 0.942 233 N CB -0.064 38.337 38.487 -0.143 0.000 1.199 233 N HN 0.205 nan 8.380 nan 0.000 0.532 234 G N -1.229 107.387 108.800 -0.308 0.000 2.541 234 G HA2 -0.115 3.868 3.960 0.040 0.000 0.686 234 G HA3 -0.115 3.868 3.960 0.040 0.000 0.686 234 G C -2.170 172.484 174.900 -0.410 0.000 1.286 234 G CA -0.214 44.652 45.100 -0.389 0.000 0.894 234 G HN 0.539 nan 8.290 nan 0.000 0.575 235 P HA 0.079 nan 4.420 nan 0.000 0.229 235 P C 1.433 178.660 177.300 -0.122 0.000 1.160 235 P CA 2.099 65.064 63.100 -0.225 0.000 0.777 235 P CB -0.043 31.511 31.700 -0.243 0.000 0.814 236 W N -1.684 119.524 121.300 -0.153 0.000 2.865 236 W HA 0.578 5.262 4.660 0.039 0.000 0.300 236 W C 1.078 177.654 176.519 0.095 0.000 1.096 236 W CA 0.426 57.739 57.345 -0.054 0.000 1.524 236 W CB -0.714 28.729 29.460 -0.029 0.000 0.991 236 W HN -0.169 nan 8.180 nan 0.000 0.571 237 A N 1.871 124.378 122.820 -0.522 0.000 2.123 237 A HA 0.148 4.491 4.320 0.040 0.000 0.214 237 A C 1.101 178.528 177.584 -0.263 0.000 1.152 237 A CA 1.691 53.490 52.037 -0.397 0.000 0.728 237 A CB -0.733 17.780 19.000 -0.812 0.000 0.814 237 A HN 0.201 nan 8.150 nan 0.000 0.464 238 T N -2.594 111.821 114.554 -0.232 0.000 2.903 238 T HA 0.626 5.000 4.350 0.040 0.000 0.299 238 T C -0.580 174.043 174.700 -0.128 0.000 1.093 238 T CA -0.129 61.855 62.100 -0.192 0.000 1.002 238 T CB 1.520 70.283 68.868 -0.174 0.000 1.127 238 T HN 0.739 nan 8.240 nan 0.000 0.488 239 V N -0.570 119.278 119.914 -0.110 0.000 3.046 239 V HA 0.922 5.065 4.120 0.040 0.000 0.316 239 V C 0.342 176.396 176.094 -0.067 0.000 1.104 239 V CA -0.991 61.259 62.300 -0.084 0.000 1.006 239 V CB 1.336 33.110 31.823 -0.082 0.000 1.058 239 V HN 1.300 nan 8.190 nan 0.000 0.440 240 S N 1.041 116.707 115.700 -0.056 0.000 2.669 240 S HA 0.682 5.176 4.470 0.040 0.000 0.270 240 S C 1.320 175.901 174.600 -0.031 0.000 1.225 240 S CA -0.006 58.169 58.200 -0.041 0.000 0.991 240 S CB 1.326 64.502 63.200 -0.039 0.000 0.987 240 S HN 1.763 nan 8.310 nan 0.000 0.552 241 A N 1.607 124.415 122.820 -0.020 0.000 1.883 241 A HA 0.080 4.424 4.320 0.040 0.000 0.217 241 A C 2.234 179.809 177.584 -0.016 0.000 1.186 241 A CA 1.948 53.979 52.037 -0.011 0.000 0.624 241 A CB -1.959 17.038 19.000 -0.005 0.000 0.822 241 A HN 1.184 nan 8.150 nan 0.000 0.444 242 G N -0.423 108.365 108.800 -0.021 0.000 2.476 242 G HA2 -0.315 3.669 3.960 0.040 0.000 0.218 242 G HA3 -0.315 3.669 3.960 0.040 0.000 0.218 242 G C 1.489 176.370 174.900 -0.031 0.000 1.164 242 G CA 1.556 46.642 45.100 -0.024 0.000 0.768 242 G HN 0.626 nan 8.290 nan 0.000 0.560 243 E N 0.790 120.965 120.200 -0.041 0.000 2.152 243 E HA 0.165 4.539 4.350 0.040 0.000 0.192 243 E C 2.612 179.174 176.600 -0.062 0.000 0.983 243 E CA 1.311 57.676 56.400 -0.057 0.000 0.818 243 E CB -0.493 29.166 29.700 -0.068 0.000 0.758 243 E HN 0.288 nan 8.360 nan 0.000 0.467 244 A N 1.028 123.822 122.820 -0.043 0.000 1.902 244 A HA -0.177 4.167 4.320 0.040 0.000 0.217 244 A C 2.290 179.880 177.584 0.010 0.000 1.181 244 A CA 1.722 53.749 52.037 -0.016 0.000 0.623 244 A CB -0.619 18.390 19.000 0.015 0.000 0.818 244 A HN 0.287 nan 8.150 nan 0.000 0.443 245 R N -0.858 119.641 120.500 -0.002 0.000 2.081 245 R HA -0.112 4.252 4.340 0.040 0.000 0.235 245 R C 2.451 178.747 176.300 -0.006 0.000 1.131 245 R CA 1.320 57.419 56.100 -0.002 0.000 0.960 245 R CB -0.314 29.980 30.300 -0.010 0.000 0.856 245 R HN 0.393 nan 8.270 nan 0.000 0.436 246 R N 0.823 121.311 120.500 -0.021 0.000 2.080 246 R HA -0.144 4.220 4.340 0.040 0.000 0.236 246 R C 2.236 178.522 176.300 -0.024 0.000 1.137 246 R CA 2.020 58.103 56.100 -0.028 0.000 0.943 246 R CB -0.253 30.021 30.300 -0.044 0.000 0.846 246 R HN 0.332 nan 8.270 nan 0.000 0.431 247 R N -0.360 120.114 120.500 -0.044 0.000 2.073 247 R HA -0.081 4.283 4.340 0.040 0.000 0.234 247 R C 2.384 178.751 176.300 0.112 0.000 1.134 247 R CA 1.424 57.488 56.100 -0.060 0.000 0.952 247 R CB -0.449 29.680 30.300 -0.285 0.000 0.850 247 R HN 0.240 nan 8.270 nan 0.000 0.433 248 A N 0.673 123.595 122.820 0.171 0.000 1.865 248 A HA -0.188 4.156 4.320 0.040 0.000 0.217 248 A C 2.256 179.873 177.584 0.055 0.000 1.191 248 A CA 2.137 54.270 52.037 0.160 0.000 0.623 248 A CB -1.093 17.939 19.000 0.055 0.000 0.826 248 A HN 0.295 nan 8.150 nan 0.000 0.444 249 T N -0.010 114.557 114.554 0.021 0.000 2.665 249 T HA -0.184 4.190 4.350 0.040 0.000 0.268 249 T C 1.840 176.544 174.700 0.007 0.000 1.035 249 T CA 1.731 63.831 62.100 0.000 0.000 1.151 249 T CB -0.404 68.459 68.868 -0.007 0.000 0.862 249 T HN 0.332 nan 8.240 nan 0.000 0.438 250 L N 0.827 122.061 121.223 0.018 0.000 2.027 250 L HA 0.113 4.476 4.340 0.040 0.000 0.206 250 L C 2.238 179.127 176.870 0.032 0.000 1.074 250 L CA 1.454 56.304 54.840 0.016 0.000 0.745 250 L CB -0.918 41.146 42.059 0.009 0.000 0.898 250 L HN 0.222 nan 8.230 nan 0.000 0.433 251 L N -0.216 121.058 121.223 0.085 0.000 2.043 251 L HA -0.198 4.166 4.340 0.040 0.000 0.212 251 L C 2.498 179.378 176.870 0.016 0.000 1.075 251 L CA 2.074 56.972 54.840 0.097 0.000 0.752 251 L CB -0.726 41.454 42.059 0.202 0.000 0.891 251 L HN 0.326 nan 8.230 nan 0.000 0.432 252 A N -0.287 122.535 122.820 0.002 0.000 1.877 252 A HA -0.284 4.060 4.320 0.040 0.000 0.216 252 A C 2.477 180.045 177.584 -0.025 0.000 1.186 252 A CA 1.925 53.950 52.037 -0.019 0.000 0.620 252 A CB -0.731 18.253 19.000 -0.027 0.000 0.822 252 A HN 0.553 nan 8.150 nan 0.000 0.443 253 R N -0.314 120.172 120.500 -0.024 0.000 2.091 253 R HA -0.088 4.276 4.340 0.040 0.000 0.238 253 R C 1.854 178.117 176.300 -0.062 0.000 1.136 253 R CA 1.700 57.782 56.100 -0.031 0.000 0.959 253 R CB -0.444 29.843 30.300 -0.022 0.000 0.856 253 R HN 0.506 nan 8.270 nan 0.000 0.437 254 L N 0.827 121.993 121.223 -0.094 0.000 2.275 254 L HA -0.074 4.290 4.340 0.040 0.000 0.215 254 L C 1.771 178.438 176.870 -0.337 0.000 1.119 254 L CA 0.648 55.354 54.840 -0.223 0.000 0.790 254 L CB 0.068 41.974 42.059 -0.254 0.000 0.919 254 L HN 0.238 nan 8.230 nan 0.000 0.443 255 V N -3.684 116.127 119.914 -0.171 0.000 3.342 255 V HA 0.482 4.626 4.120 0.040 0.000 0.322 255 V C 1.090 177.168 176.094 -0.026 0.000 1.370 255 V CA 0.131 62.383 62.300 -0.080 0.000 1.170 255 V CB -0.448 31.380 31.823 0.009 0.000 1.101 255 V HN 0.394 nan 8.190 nan 0.000 0.442 256 G N 0.006 108.784 108.800 -0.037 0.000 2.246 256 G HA2 -0.252 3.732 3.960 0.040 0.000 0.273 256 G HA3 -0.252 3.732 3.960 0.040 0.000 0.273 256 G C 0.028 174.926 174.900 -0.003 0.000 1.055 256 G CA 0.134 45.226 45.100 -0.013 0.000 0.851 256 G HN 0.734 nan 8.290 nan 0.000 0.500 257 c N 1.742 120.338 118.600 -0.007 0.000 2.225 257 c HA 0.570 5.163 4.570 0.040 0.000 0.323 257 c C -0.745 173.343 174.090 -0.004 0.000 1.164 257 c CA -1.374 54.955 56.329 -0.000 0.000 1.565 257 c CB 0.486 42.998 42.510 0.003 0.000 2.124 257 c HN 0.566 nan 8.230 nan 0.000 0.461 266 D N 0.977 121.373 120.400 -0.006 0.000 2.177 266 D HA -0.195 4.469 4.640 0.040 0.000 0.189 266 D C 1.439 177.736 176.300 -0.006 0.000 1.002 266 D CA 2.110 56.103 54.000 -0.011 0.000 0.845 266 D CB -0.261 40.534 40.800 -0.009 0.000 0.960 266 D HN 0.593 nan 8.370 nan 0.000 0.447 267 T N 0.837 115.394 114.554 0.004 0.000 2.620 267 T HA -0.224 4.150 4.350 0.040 0.000 0.267 267 T C 1.821 176.530 174.700 0.015 0.000 1.044 267 T CA 1.753 63.861 62.100 0.013 0.000 1.161 267 T CB -0.361 68.516 68.868 0.015 0.000 0.862 267 T HN 0.295 nan 8.240 nan 0.000 0.438 268 E N 0.222 120.428 120.200 0.010 0.000 2.023 268 E HA -0.132 4.242 4.350 0.040 0.000 0.196 268 E C 2.247 178.853 176.600 0.010 0.000 1.003 268 E CA 1.174 57.580 56.400 0.011 0.000 0.809 268 E CB -0.325 29.379 29.700 0.007 0.000 0.755 268 E HN 0.353 nan 8.360 nan 0.000 0.449 269 L N 0.795 122.018 121.223 0.000 0.000 2.012 269 L HA -0.230 4.134 4.340 0.040 0.000 0.210 269 L C 2.239 179.104 176.870 -0.007 0.000 1.073 269 L CA 1.394 56.229 54.840 -0.009 0.000 0.748 269 L CB -0.132 41.913 42.059 -0.024 0.000 0.891 269 L HN 0.155 nan 8.230 nan 0.000 0.431 270 I N -0.483 120.083 120.570 -0.007 0.000 2.315 270 I HA -0.235 3.959 4.170 0.040 0.000 0.248 270 I C 2.710 178.880 176.117 0.088 0.000 1.117 270 I CA 0.971 62.281 61.300 0.016 0.000 1.404 270 I CB -0.615 37.391 38.000 0.010 0.000 1.071 270 I HN 0.311 nan 8.210 nan 0.000 0.419 271 A N -0.088 122.769 122.820 0.061 0.000 1.908 271 A HA -0.317 4.027 4.320 0.040 0.000 0.218 271 A C 2.542 180.164 177.584 0.064 0.000 1.181 271 A CA 2.145 54.220 52.037 0.063 0.000 0.627 271 A CB -1.407 17.618 19.000 0.041 0.000 0.818 271 A HN 0.629 nan 8.150 nan 0.000 0.445 272 c N -0.649 117.981 118.600 0.051 0.000 2.446 272 c HA 0.039 4.633 4.570 0.040 0.000 0.277 272 c C 2.606 176.735 174.090 0.066 0.000 1.275 272 c CA 1.003 57.359 56.329 0.046 0.000 1.727 272 c CB -1.602 40.925 42.510 0.028 0.000 2.010 272 c HN 0.583 nan 8.230 nan 0.000 0.486 273 L N 0.422 121.698 121.223 0.088 0.000 2.079 273 L HA -0.144 4.220 4.340 0.040 0.000 0.210 273 L C 3.016 180.006 176.870 0.199 0.000 1.081 273 L CA 1.613 56.541 54.840 0.147 0.000 0.752 273 L CB -0.663 41.487 42.059 0.153 0.000 0.896 273 L HN 0.356 nan 8.230 nan 0.000 0.433 274 R N -0.459 120.157 120.500 0.193 0.000 2.148 274 R HA -0.122 4.242 4.340 0.040 0.000 0.227 274 R C 2.116 178.440 176.300 0.041 0.000 1.103 274 R CA 1.724 57.881 56.100 0.095 0.000 0.983 274 R CB -0.445 29.904 30.300 0.082 0.000 0.874 274 R HN 0.492 nan 8.270 nan 0.000 0.451 275 T N -1.245 113.339 114.554 0.049 0.000 3.160 275 T HA 0.072 4.446 4.350 0.040 0.000 0.257 275 T C 0.757 175.475 174.700 0.029 0.000 1.147 275 T CA 0.162 62.280 62.100 0.031 0.000 1.064 275 T CB 0.065 68.951 68.868 0.031 0.000 0.949 275 T HN -0.114 nan 8.240 nan 0.000 0.526 276 R N 2.237 122.759 120.500 0.038 0.000 2.346 276 R HA 0.421 4.784 4.340 0.040 0.000 0.311 276 R C -2.842 173.471 176.300 0.023 0.000 0.983 276 R CA -2.475 53.649 56.100 0.039 0.000 0.880 276 R CB 0.845 31.180 30.300 0.058 0.000 1.100 276 R HN 0.196 nan 8.270 nan 0.000 0.453 277 P HA -0.072 nan 4.420 nan 0.000 0.263 277 P C 0.354 177.635 177.300 -0.030 0.000 1.175 277 P CA 0.368 63.457 63.100 -0.018 0.000 0.761 277 P CB 0.620 32.320 31.700 0.000 0.000 0.794 278 A N 3.165 125.900 122.820 -0.142 0.000 1.978 278 A HA -0.254 4.090 4.320 0.040 0.000 0.220 278 A C 2.078 179.589 177.584 -0.123 0.000 1.170 278 A CA 1.710 53.637 52.037 -0.183 0.000 0.636 278 A CB -0.922 17.556 19.000 -0.870 0.000 0.810 278 A HN 0.523 nan 8.150 nan 0.000 0.448 279 Q N 0.106 119.836 119.800 -0.116 0.000 2.297 279 Q HA -0.100 4.264 4.340 0.040 0.000 0.204 279 Q C 1.058 177.135 176.000 0.128 0.000 0.962 279 Q CA 1.659 57.533 55.803 0.118 0.000 0.879 279 Q CB -0.314 28.522 28.738 0.163 0.000 0.947 279 Q HN 0.631 nan 8.270 nan 0.000 0.462 280 D N -0.398 120.058 120.400 0.094 0.000 2.097 280 D HA -0.132 4.532 4.640 0.040 0.000 0.195 280 D C 1.699 178.095 176.300 0.160 0.000 0.989 280 D CA 1.089 55.167 54.000 0.129 0.000 0.827 280 D CB -0.152 40.721 40.800 0.122 0.000 0.966 280 D HN 0.288 nan 8.370 nan 0.000 0.456 281 L N 0.134 121.423 121.223 0.109 0.000 2.017 281 L HA -0.132 4.231 4.340 0.040 0.000 0.208 281 L C 2.488 179.419 176.870 0.103 0.000 1.073 281 L CA 0.678 55.549 54.840 0.052 0.000 0.745 281 L CB -0.536 41.438 42.059 -0.141 0.000 0.894 281 L HN -0.033 nan 8.230 nan 0.000 0.432 282 V N -0.126 119.901 119.914 0.188 0.000 2.407 282 V HA -0.276 3.868 4.120 0.040 0.000 0.248 282 V C 2.106 178.311 176.094 0.183 0.000 1.055 282 V CA 1.781 64.246 62.300 0.274 0.000 1.049 282 V CB -0.530 31.569 31.823 0.460 0.000 0.662 282 V HN 0.417 nan 8.190 nan 0.000 0.455 283 D N -0.848 119.612 120.400 0.100 0.000 2.190 283 D HA -0.169 4.495 4.640 0.040 0.000 0.200 283 D C 1.843 177.967 176.300 -0.293 0.000 0.992 283 D CA 1.428 55.376 54.000 -0.087 0.000 0.854 283 D CB -0.184 40.498 40.800 -0.196 0.000 0.936 283 D HN 0.525 nan 8.370 nan 0.000 0.462 284 H N -0.554 118.508 119.070 -0.013 0.000 2.755 284 H HA 0.095 4.674 4.556 0.040 0.000 0.273 284 H C 1.596 176.903 175.328 -0.035 0.000 1.055 284 H CA 0.249 56.242 56.048 -0.092 0.000 1.191 284 H CB 0.615 30.408 29.762 0.052 0.000 1.536 284 H HN 0.450 nan 8.280 nan 0.000 0.529 285 E N 0.559 120.849 120.200 0.151 0.000 2.106 285 E HA -0.175 4.199 4.350 0.040 0.000 0.192 285 E C 1.986 178.727 176.600 0.234 0.000 0.984 285 E CA 0.480 57.056 56.400 0.292 0.000 0.806 285 E CB -0.507 29.415 29.700 0.370 0.000 0.750 285 E HN 0.436 nan 8.360 nan 0.000 0.458 286 W N 2.236 123.479 121.300 -0.096 0.000 2.350 286 W HA -0.187 4.497 4.660 0.039 0.000 0.289 286 W C 0.845 177.412 176.519 0.080 0.000 1.215 286 W CA 1.612 58.911 57.345 -0.078 0.000 1.236 286 W CB -0.126 29.247 29.460 -0.145 0.000 1.130 286 W HN 0.291 nan 8.180 nan 0.000 0.541 287 H N -0.325 118.804 119.070 0.098 0.000 2.556 287 H HA -0.055 4.524 4.556 0.040 0.000 0.268 287 H C 1.916 177.200 175.328 -0.073 0.000 0.996 287 H CA 0.596 56.637 56.048 -0.012 0.000 1.157 287 H CB 0.074 29.919 29.762 0.138 0.000 1.355 287 H HN 0.097 nan 8.280 nan 0.000 0.597 288 V N -1.747 118.168 119.914 0.002 0.000 3.621 288 V HA 0.165 4.309 4.120 0.040 0.000 0.285 288 V C 0.567 176.553 176.094 -0.181 0.000 1.346 288 V CA -0.111 62.148 62.300 -0.069 0.000 1.104 288 V CB -0.324 31.465 31.823 -0.057 0.000 0.913 288 V HN 0.146 nan 8.190 nan 0.000 0.432 289 L N 2.452 123.512 121.223 -0.271 0.000 2.453 289 L HA 0.260 4.624 4.340 0.040 0.000 0.272 289 L C -0.367 176.357 176.870 -0.243 0.000 1.182 289 L CA -0.998 53.654 54.840 -0.312 0.000 0.858 289 L CB 1.038 42.804 42.059 -0.487 0.000 1.120 289 L HN 0.160 nan 8.230 nan 0.000 0.474 290 P HA -0.063 nan 4.420 nan 0.000 0.225 290 P C -0.268 176.956 177.300 -0.128 0.000 1.156 290 P CA 0.975 63.992 63.100 -0.137 0.000 0.787 290 P CB 0.537 32.168 31.700 -0.114 0.000 0.802 291 Q N -1.219 118.490 119.800 -0.151 0.000 2.501 291 Q HA 0.323 4.686 4.340 0.040 0.000 0.288 291 Q C -0.736 175.176 176.000 -0.146 0.000 1.051 291 Q CA -0.729 55.001 55.803 -0.121 0.000 0.788 291 Q CB 1.517 30.203 28.738 -0.086 0.000 1.469 291 Q HN -0.081 nan 8.270 nan 0.000 0.416 292 E N 1.242 121.388 120.200 -0.091 0.000 2.406 292 E HA 0.242 4.616 4.350 0.040 0.000 0.258 292 E C -1.050 175.530 176.600 -0.033 0.000 1.043 292 E CA 0.127 56.497 56.400 -0.050 0.000 0.929 292 E CB 0.231 29.931 29.700 -0.001 0.000 0.969 292 E HN 0.560 nan 8.360 nan 0.000 0.462 293 S N 3.643 119.328 115.700 -0.025 0.000 2.588 293 S HA 0.612 5.106 4.470 0.040 0.000 0.269 293 S C -0.550 174.099 174.600 0.080 0.000 1.157 293 S CA -1.076 57.121 58.200 -0.005 0.000 0.824 293 S CB 0.799 63.953 63.200 -0.077 0.000 1.126 293 S HN 0.484 nan 8.310 nan 0.000 0.464 294 I N -2.107 118.505 120.570 0.069 0.000 2.740 294 I HA 0.808 5.002 4.170 0.040 0.000 0.303 294 I C -0.266 175.851 176.117 -0.000 0.000 1.044 294 I CA -1.151 60.215 61.300 0.110 0.000 1.064 294 I CB 1.129 39.230 38.000 0.169 0.000 1.249 294 I HN 0.789 nan 8.210 nan 0.000 0.433 295 F N 2.219 121.971 119.950 -0.330 0.000 3.071 295 F HA -0.183 4.367 4.527 0.039 0.000 0.295 295 F C -0.328 174.917 175.800 -0.925 0.000 0.919 295 F CA 0.603 58.130 58.000 -0.787 0.000 1.050 295 F CB -0.587 37.883 39.000 -0.884 0.000 1.040 295 F HN 0.611 nan 8.300 nan 0.000 0.692 296 R N 0.378 120.435 120.500 -0.739 0.000 2.673 296 R HA 0.662 5.026 4.340 0.040 0.000 0.281 296 R C -1.080 174.760 176.300 -0.766 0.000 0.991 296 R CA -0.613 55.064 56.100 -0.706 0.000 0.896 296 R CB 1.519 31.649 30.300 -0.284 0.000 1.201 296 R HN -0.004 nan 8.270 nan 0.000 0.457 297 F N -0.613 119.421 119.950 0.141 0.000 2.540 297 F HA 0.333 4.884 4.527 0.039 0.000 0.317 297 F C 1.477 177.308 175.800 0.050 0.000 1.104 297 F CA -0.866 57.226 58.000 0.152 0.000 0.913 297 F CB 1.878 41.062 39.000 0.307 0.000 1.170 297 F HN 0.377 nan 8.300 nan 0.000 0.450 298 S N 0.960 116.761 115.700 0.170 0.000 2.359 298 S HA -0.095 4.399 4.470 0.040 0.000 0.224 298 S C 0.051 174.384 174.600 -0.446 0.000 1.035 298 S CA 1.339 59.432 58.200 -0.178 0.000 1.018 298 S CB -0.265 62.876 63.200 -0.098 0.000 0.876 298 S HN 0.371 nan 8.310 nan 0.000 0.448 299 F N 1.346 121.440 119.950 0.240 0.000 2.434 299 F HA 0.549 5.100 4.527 0.040 0.000 0.355 299 F C -0.089 175.818 175.800 0.178 0.000 1.115 299 F CA -0.963 57.170 58.000 0.223 0.000 1.010 299 F CB 1.483 40.643 39.000 0.266 0.000 1.234 299 F HN -0.101 nan 8.300 nan 0.000 0.439 300 V N 1.007 120.966 119.914 0.075 0.000 3.160 300 V HA 0.769 4.913 4.120 0.040 0.000 0.310 300 V C -2.915 172.868 176.094 -0.518 0.000 1.181 300 V CA -3.271 58.768 62.300 -0.436 0.000 1.047 300 V CB 2.032 33.763 31.823 -0.154 0.000 1.068 300 V HN 0.265 nan 8.190 nan 0.000 0.441 301 P HA 0.218 nan 4.420 nan 0.000 0.267 301 P C -0.817 176.351 177.300 -0.220 0.000 1.201 301 P CA 0.268 63.096 63.100 -0.452 0.000 0.775 301 P CB 0.678 32.009 31.700 -0.615 0.000 0.854 302 V N 3.963 123.825 119.914 -0.086 0.000 2.604 302 V HA 0.248 4.392 4.120 0.040 0.000 0.305 302 V C -0.501 175.576 176.094 -0.030 0.000 1.043 302 V CA -0.983 61.290 62.300 -0.046 0.000 0.888 302 V CB 2.122 33.950 31.823 0.007 0.000 0.995 302 V HN 0.143 nan 8.190 nan 0.000 0.429 303 V N 7.470 127.366 119.914 -0.031 0.000 2.409 303 V HA 0.169 4.313 4.120 0.040 0.000 0.270 303 V C 0.839 176.940 176.094 0.012 0.000 1.019 303 V CA 0.612 62.908 62.300 -0.007 0.000 1.066 303 V CB 0.342 32.153 31.823 -0.020 0.000 1.021 303 V HN 1.058 nan 8.190 nan 0.000 0.476 304 D N 2.968 123.391 120.400 0.038 0.000 2.407 304 D HA 0.134 4.798 4.640 0.040 0.000 0.208 304 D C 1.485 177.811 176.300 0.044 0.000 1.083 304 D CA 0.618 54.645 54.000 0.045 0.000 0.844 304 D CB 0.531 41.372 40.800 0.068 0.000 0.967 304 D HN 0.713 nan 8.370 nan 0.000 0.506 305 G N 0.996 109.821 108.800 0.042 0.000 2.175 305 G HA2 -0.340 3.643 3.960 0.040 0.000 0.265 305 G HA3 -0.340 3.643 3.960 0.040 0.000 0.265 305 G C 0.432 175.356 174.900 0.041 0.000 0.979 305 G CA 0.975 46.094 45.100 0.033 0.000 0.663 305 G HN 0.561 nan 8.290 nan 0.000 0.533 306 D N -1.427 119.014 120.400 0.070 0.000 3.040 306 D HA 0.199 4.863 4.640 0.040 0.000 0.221 306 D C 1.786 178.147 176.300 0.102 0.000 1.515 306 D CA 0.366 54.412 54.000 0.077 0.000 1.379 306 D CB -0.601 40.255 40.800 0.093 0.000 0.992 306 D HN 0.101 nan 8.370 nan 0.000 0.234 307 F N 1.346 121.308 119.950 0.020 0.000 2.095 307 F HA 0.125 4.676 4.527 0.040 0.000 0.298 307 F C 0.726 176.530 175.800 0.007 0.000 1.104 307 F CA 1.211 59.222 58.000 0.019 0.000 1.232 307 F CB 0.059 39.071 39.000 0.019 0.000 0.987 307 F HN -0.010 nan 8.300 nan 0.000 0.475 308 L N 0.873 122.277 121.223 0.303 0.000 2.264 308 L HA 0.181 4.545 4.340 0.040 0.000 0.287 308 L C 1.500 178.416 176.870 0.077 0.000 1.039 308 L CA -0.100 54.838 54.840 0.165 0.000 0.829 308 L CB 1.215 43.355 42.059 0.135 0.000 1.211 308 L HN 0.098 nan 8.230 nan 0.000 0.427 309 S N 1.017 116.740 115.700 0.038 0.000 2.442 309 S HA -0.075 4.419 4.470 0.040 0.000 0.236 309 S C 0.490 175.100 174.600 0.016 0.000 1.007 309 S CA 0.869 59.080 58.200 0.018 0.000 0.965 309 S CB 0.060 63.259 63.200 -0.001 0.000 0.773 309 S HN 0.767 nan 8.310 nan 0.000 0.504 310 D N -0.491 119.920 120.400 0.019 0.000 2.738 310 D HA 0.239 4.903 4.640 0.040 0.000 0.308 310 D C -0.984 175.320 176.300 0.006 0.000 1.311 310 D CA 0.191 54.196 54.000 0.008 0.000 0.799 310 D CB 1.199 42.001 40.800 0.004 0.000 1.332 310 D HN 0.238 nan 8.370 nan 0.000 0.441 311 T N -0.597 113.953 114.554 -0.006 0.000 2.932 311 T HA 0.235 4.609 4.350 0.040 0.000 0.312 311 T C -1.797 172.896 174.700 -0.012 0.000 1.071 311 T CA -0.601 61.487 62.100 -0.019 0.000 1.128 311 T CB 1.000 69.849 68.868 -0.032 0.000 0.984 311 T HN 0.109 nan 8.240 nan 0.000 0.549 312 P HA -0.152 nan 4.420 nan 0.000 0.216 312 P C 1.654 178.948 177.300 -0.010 0.000 1.153 312 P CA 0.981 64.069 63.100 -0.019 0.000 0.858 312 P CB 0.036 31.696 31.700 -0.067 0.000 0.789 313 E N -0.117 120.064 120.200 -0.033 0.000 2.049 313 E HA -0.267 4.107 4.350 0.040 0.000 0.198 313 E C 1.878 178.480 176.600 0.003 0.000 1.007 313 E CA 1.926 58.312 56.400 -0.023 0.000 0.809 313 E CB -0.596 29.082 29.700 -0.038 0.000 0.749 313 E HN 0.070 nan 8.360 nan 0.000 0.450 314 A N 1.228 124.048 122.820 0.001 0.000 1.902 314 A HA -0.145 4.199 4.320 0.040 0.000 0.217 314 A C 2.443 180.044 177.584 0.028 0.000 1.181 314 A CA 1.308 53.350 52.037 0.010 0.000 0.623 314 A CB -0.687 18.313 19.000 0.000 0.000 0.818 314 A HN 0.312 nan 8.150 nan 0.000 0.443 315 L N -0.028 121.219 121.223 0.040 0.000 2.027 315 L HA -0.168 4.195 4.340 0.040 0.000 0.206 315 L C 2.650 179.606 176.870 0.144 0.000 1.074 315 L CA 1.710 56.591 54.840 0.069 0.000 0.745 315 L CB -0.666 41.439 42.059 0.077 0.000 0.898 315 L HN 0.676 nan 8.230 nan 0.000 0.433 316 I N -2.722 117.949 120.570 0.169 0.000 2.454 316 I HA -0.214 3.979 4.170 0.040 0.000 0.254 316 I C 2.005 178.264 176.117 0.236 0.000 1.156 316 I CA 1.433 62.896 61.300 0.272 0.000 1.433 316 I CB -0.516 37.551 38.000 0.112 0.000 1.082 316 I HN 0.226 nan 8.210 nan 0.000 0.432 317 N N 1.352 120.123 118.700 0.118 0.000 2.244 317 N HA -0.110 4.654 4.740 0.040 0.000 0.183 317 N C 1.845 177.391 175.510 0.060 0.000 1.016 317 N CA 2.193 55.291 53.050 0.080 0.000 0.866 317 N CB -0.249 38.263 38.487 0.042 0.000 0.980 317 N HN 0.709 nan 8.380 nan 0.000 0.430 318 T N -4.047 110.525 114.554 0.030 0.000 3.010 318 T HA 0.319 4.693 4.350 0.040 0.000 0.257 318 T C 0.958 175.592 174.700 -0.110 0.000 1.020 318 T CA -0.315 61.769 62.100 -0.026 0.000 0.938 318 T CB 0.079 68.930 68.868 -0.029 0.000 1.049 318 T HN 0.043 nan 8.240 nan 0.000 0.522 319 G N 0.999 109.688 108.800 -0.184 0.000 2.569 319 G HA2 0.395 4.379 3.960 0.040 0.000 0.249 319 G HA3 0.395 4.379 3.960 0.040 0.000 0.249 319 G C -1.012 173.438 174.900 -0.751 0.000 1.216 319 G CA -0.374 44.391 45.100 -0.557 0.000 0.845 319 G HN 0.286 nan 8.290 nan 0.000 0.568 320 D N 0.244 120.222 120.400 -0.704 0.000 2.317 320 D HA 0.342 5.006 4.640 0.040 0.000 0.234 320 D C -0.406 175.538 176.300 -0.593 0.000 1.112 320 D CA -0.636 53.077 54.000 -0.478 0.000 0.840 320 D CB 0.686 41.339 40.800 -0.246 0.000 1.078 320 D HN 0.090 nan 8.370 nan 0.000 0.486 321 F N 1.558 121.511 119.950 0.005 0.000 2.791 321 F HA 0.252 4.803 4.527 0.040 0.000 0.308 321 F C 0.924 176.730 175.800 0.010 0.000 1.138 321 F CA -0.560 57.447 58.000 0.010 0.000 1.294 321 F CB 0.065 39.080 39.000 0.025 0.000 0.975 321 F HN 0.261 nan 8.300 nan 0.000 0.512 322 Q N 1.603 121.464 119.800 0.101 0.000 2.323 322 Q HA 0.119 4.482 4.340 0.040 0.000 0.257 322 Q C -0.747 175.284 176.000 0.052 0.000 1.022 322 Q CA -0.083 55.761 55.803 0.068 0.000 0.919 322 Q CB 0.421 29.175 28.738 0.026 0.000 1.220 322 Q HN 0.163 nan 8.270 nan 0.000 0.427 323 D N 5.113 125.536 120.400 0.038 0.000 2.485 323 D HA 0.237 4.901 4.640 0.040 0.000 0.221 323 D C -1.029 175.304 176.300 0.054 0.000 1.112 323 D CA -0.173 53.852 54.000 0.042 0.000 0.911 323 D CB 0.764 41.577 40.800 0.022 0.000 1.019 323 D HN 0.275 nan 8.370 nan 0.000 0.516 324 L N 1.889 123.165 121.223 0.088 0.000 2.470 324 L HA 0.282 4.646 4.340 0.040 0.000 0.268 324 L C -1.442 175.503 176.870 0.125 0.000 0.964 324 L CA -0.424 54.481 54.840 0.108 0.000 0.839 324 L CB 2.313 44.467 42.059 0.158 0.000 1.276 324 L HN 0.001 nan 8.230 nan 0.000 0.403 325 Q N 3.130 123.020 119.800 0.151 0.000 2.316 325 Q HA 0.816 5.180 4.340 0.040 0.000 0.264 325 Q C -1.391 174.840 176.000 0.385 0.000 0.987 325 Q CA -0.448 55.501 55.803 0.244 0.000 0.852 325 Q CB 2.652 31.505 28.738 0.192 0.000 1.287 325 Q HN 0.481 nan 8.270 nan 0.000 0.448 326 V N 2.636 122.748 119.914 0.330 0.000 2.709 326 V HA 0.507 4.651 4.120 0.040 0.000 0.308 326 V C -1.397 174.669 176.094 -0.048 0.000 1.062 326 V CA -0.907 61.514 62.300 0.201 0.000 0.901 326 V CB 1.972 33.828 31.823 0.055 0.000 1.003 326 V HN 0.601 nan 8.190 nan 0.000 0.425 327 L N 6.575 127.602 121.223 -0.327 0.000 2.319 327 L HA 0.837 5.201 4.340 0.040 0.000 0.281 327 L C -0.416 176.342 176.870 -0.185 0.000 1.005 327 L CA -0.123 54.396 54.840 -0.535 0.000 0.828 327 L CB 1.517 42.797 42.059 -1.298 0.000 1.227 327 L HN 0.612 nan 8.230 nan 0.000 0.415 328 V N 2.070 121.933 119.914 -0.086 0.000 2.960 328 V HA 1.134 5.278 4.120 0.040 0.000 0.315 328 V C 0.025 175.947 176.094 -0.287 0.000 1.087 328 V CA 0.099 62.345 62.300 -0.089 0.000 0.982 328 V CB 1.192 32.925 31.823 -0.149 0.000 1.039 328 V HN 0.987 nan 8.190 nan 0.000 0.437 329 G N 0.501 109.007 108.800 -0.489 0.000 2.495 329 G HA2 0.748 4.732 3.960 0.040 0.000 0.294 329 G HA3 0.748 4.732 3.960 0.040 0.000 0.294 329 G C -1.236 173.372 174.900 -0.488 0.000 1.397 329 G CA 0.048 44.416 45.100 -1.220 0.000 0.790 329 G HN 2.015 nan 8.290 nan 0.000 0.486 330 V N -2.365 117.361 119.914 -0.313 0.000 3.159 330 V HA 0.917 5.061 4.120 0.040 0.000 0.308 330 V C 0.260 176.539 176.094 0.307 0.000 1.190 330 V CA -0.477 61.868 62.300 0.074 0.000 1.037 330 V CB 1.118 32.965 31.823 0.040 0.000 1.060 330 V HN 1.834 nan 8.190 nan 0.000 0.437 331 V N -0.226 119.891 119.914 0.339 0.000 3.109 331 V HA 0.570 4.714 4.120 0.040 0.000 0.317 331 V C 1.403 177.693 176.094 0.326 0.000 1.074 331 V CA 0.025 62.577 62.300 0.420 0.000 1.033 331 V CB 1.282 33.337 31.823 0.387 0.000 1.111 331 V HN 1.091 nan 8.190 nan 0.000 0.458 332 K N -0.222 120.370 120.400 0.320 0.000 2.147 332 K HA -0.070 4.274 4.320 0.040 0.000 0.205 332 K C 0.368 177.095 176.600 0.211 0.000 1.049 332 K CA 1.855 58.282 56.287 0.234 0.000 0.936 332 K CB 0.094 32.709 32.500 0.192 0.000 0.722 332 K HN 0.900 nan 8.250 nan 0.000 0.446 333 D N 0.900 121.434 120.400 0.225 0.000 2.739 333 D HA 0.028 4.692 4.640 0.040 0.000 0.335 333 D C 0.047 176.485 176.300 0.230 0.000 1.216 333 D CA -0.069 54.053 54.000 0.202 0.000 0.808 333 D CB 1.235 42.135 40.800 0.165 0.000 1.121 333 D HN 0.128 nan 8.370 nan 0.000 0.499 334 E N 0.312 120.663 120.200 0.252 0.000 2.160 334 E HA -0.129 4.245 4.350 0.040 0.000 0.195 334 E C 1.876 178.678 176.600 0.337 0.000 0.991 334 E CA 0.764 57.356 56.400 0.320 0.000 0.810 334 E CB 0.208 30.063 29.700 0.258 0.000 0.742 334 E HN 0.436 nan 8.360 nan 0.000 0.466 335 G N 0.734 109.687 108.800 0.256 0.000 2.595 335 G HA2 -0.135 3.849 3.960 0.040 0.000 0.213 335 G HA3 -0.135 3.849 3.960 0.040 0.000 0.213 335 G C 1.725 176.801 174.900 0.294 0.000 1.141 335 G CA 0.714 45.978 45.100 0.274 0.000 0.806 335 G HN 0.360 nan 8.290 nan 0.000 0.530 336 S N 1.861 117.689 115.700 0.213 0.000 2.359 336 S HA -0.065 4.428 4.470 0.040 0.000 0.223 336 S C 2.579 177.213 174.600 0.056 0.000 1.039 336 S CA 1.597 59.909 58.200 0.187 0.000 1.042 336 S CB -0.800 62.462 63.200 0.104 0.000 0.915 336 S HN 0.569 nan 8.310 nan 0.000 0.439 337 A N 0.247 122.972 122.820 -0.158 0.000 2.178 337 A HA 0.185 4.529 4.320 0.040 0.000 0.218 337 A C 1.662 179.090 177.584 -0.260 0.000 1.157 337 A CA 0.908 52.681 52.037 -0.440 0.000 0.689 337 A CB -0.970 17.558 19.000 -0.786 0.000 0.787 337 A HN 0.587 nan 8.150 nan 0.000 0.465 338 F N -0.765 119.189 119.950 0.006 0.000 2.743 338 F HA 0.185 4.735 4.527 0.039 0.000 0.297 338 F C 1.729 177.621 175.800 0.153 0.000 1.131 338 F CA 0.266 58.307 58.000 0.070 0.000 1.426 338 F CB -0.020 38.963 39.000 -0.029 0.000 1.116 338 F HN 0.105 nan 8.300 nan 0.000 0.583 339 L N -0.189 121.175 121.223 0.235 0.000 2.217 339 L HA -0.097 4.267 4.340 0.040 0.000 0.211 339 L C 2.325 179.298 176.870 0.172 0.000 1.107 339 L CA 0.771 55.630 54.840 0.032 0.000 0.783 339 L CB -0.635 41.214 42.059 -0.350 0.000 0.919 339 L HN 0.138 nan 8.230 nan 0.000 0.442 340 V N -4.761 115.320 119.914 0.278 0.000 3.380 340 V HA -0.152 3.992 4.120 0.040 0.000 0.268 340 V C 1.052 177.137 176.094 -0.015 0.000 1.168 340 V CA 0.696 63.127 62.300 0.219 0.000 1.156 340 V CB -1.197 30.791 31.823 0.276 0.000 0.785 340 V HN 0.288 nan 8.190 nan 0.000 0.487 341 Y N 1.922 122.311 120.300 0.148 0.000 2.801 341 Y HA 0.674 5.247 4.550 0.039 0.000 0.340 341 Y C 1.570 177.544 175.900 0.124 0.000 1.088 341 Y CA 0.240 58.396 58.100 0.094 0.000 1.444 341 Y CB 0.424 38.930 38.460 0.076 0.000 1.251 341 Y HN 0.390 nan 8.280 nan 0.000 0.522 342 G N -1.311 107.618 108.800 0.214 0.000 2.613 342 G HA2 -0.159 3.825 3.960 0.040 0.000 0.199 342 G HA3 -0.159 3.825 3.960 0.040 0.000 0.199 342 G C -0.608 174.400 174.900 0.180 0.000 0.991 342 G CA -0.463 44.761 45.100 0.207 0.000 0.756 342 G HN 0.013 nan 8.290 nan 0.000 0.515 343 V N 2.810 122.834 119.914 0.183 0.000 2.353 343 V HA 0.393 4.537 4.120 0.040 0.000 0.264 343 V C -1.801 174.492 176.094 0.331 0.000 1.049 343 V CA -1.598 60.823 62.300 0.203 0.000 0.896 343 V CB 0.917 32.777 31.823 0.062 0.000 1.025 343 V HN 0.084 nan 8.190 nan 0.000 0.475 344 P HA 0.172 nan 4.420 nan 0.000 0.263 344 P C 1.094 178.523 177.300 0.216 0.000 1.175 344 P CA 1.533 64.749 63.100 0.193 0.000 0.761 344 P CB 0.551 32.329 31.700 0.130 0.000 0.794 345 G N 1.326 110.186 108.800 0.100 0.000 2.213 345 G HA2 -0.225 3.759 3.960 0.040 0.000 0.236 345 G HA3 -0.225 3.759 3.960 0.040 0.000 0.236 345 G C -0.176 174.569 174.900 -0.259 0.000 0.991 345 G CA -0.587 44.451 45.100 -0.104 0.000 0.629 345 G HN 0.401 nan 8.290 nan 0.000 0.517 346 F N 1.748 121.730 119.950 0.052 0.000 2.427 346 F HA 0.768 5.318 4.527 0.039 0.000 0.346 346 F C 0.553 176.456 175.800 0.172 0.000 1.120 346 F CA -0.241 57.815 58.000 0.094 0.000 1.033 346 F CB 2.221 41.315 39.000 0.157 0.000 1.126 346 F HN 0.159 nan 8.300 nan 0.000 0.462 347 S N 2.133 118.048 115.700 0.359 0.000 2.564 347 S HA 0.347 4.841 4.470 0.040 0.000 0.274 347 S C 0.407 175.275 174.600 0.448 0.000 1.124 347 S CA -0.851 57.555 58.200 0.344 0.000 0.869 347 S CB 1.455 64.769 63.200 0.191 0.000 1.105 347 S HN 0.750 nan 8.310 nan 0.000 0.472 348 K N 1.310 121.887 120.400 0.294 0.000 2.296 348 K HA 0.150 4.494 4.320 0.040 0.000 0.200 348 K C 0.038 176.643 176.600 0.008 0.000 1.048 348 K CA 1.135 57.488 56.287 0.110 0.000 0.966 348 K CB -0.103 32.240 32.500 -0.261 0.000 0.754 348 K HN 0.425 nan 8.250 nan 0.000 0.466 349 D N 1.219 121.607 120.400 -0.020 0.000 2.336 349 D HA 0.035 4.698 4.640 0.040 0.000 0.228 349 D C -0.606 175.716 176.300 0.037 0.000 1.120 349 D CA 0.182 54.154 54.000 -0.047 0.000 0.839 349 D CB -0.125 40.625 40.800 -0.083 0.000 0.932 349 D HN 0.514 nan 8.370 nan 0.000 0.509 350 N N -1.910 116.864 118.700 0.124 0.000 2.927 350 N HA 0.059 4.823 4.740 0.040 0.000 0.248 350 N C 0.055 175.657 175.510 0.153 0.000 1.443 350 N CA -0.650 52.458 53.050 0.096 0.000 0.870 350 N CB 0.761 39.258 38.487 0.017 0.000 1.444 350 N HN -0.335 nan 8.380 nan 0.000 0.519 351 E N -0.365 119.851 120.200 0.026 0.000 2.515 351 E HA -0.022 4.352 4.350 0.040 0.000 0.201 351 E C -0.506 175.783 176.600 -0.520 0.000 1.071 351 E CA 0.425 56.767 56.400 -0.097 0.000 0.880 351 E CB -0.305 29.361 29.700 -0.056 0.000 0.828 351 E HN 0.555 nan 8.360 nan 0.000 0.540 352 S N 0.215 115.644 115.700 -0.451 0.000 3.631 352 S HA -0.181 4.312 4.470 0.040 0.000 0.366 352 S C 0.064 174.240 174.600 -0.706 0.000 0.993 352 S CA 0.124 57.925 58.200 -0.666 0.000 1.167 352 S CB -1.312 61.290 63.200 -0.997 0.000 0.909 352 S HN 0.281 nan 8.310 nan 0.000 0.478 353 L N 1.889 122.843 121.223 -0.449 0.000 2.361 353 L HA 0.484 4.848 4.340 0.040 0.000 0.278 353 L C 0.686 177.358 176.870 -0.332 0.000 1.113 353 L CA -0.210 54.419 54.840 -0.351 0.000 0.849 353 L CB 0.257 42.181 42.059 -0.225 0.000 1.155 353 L HN 0.416 nan 8.230 nan 0.000 0.452 354 I N 0.092 120.468 120.570 -0.322 0.000 2.750 354 I HA 0.645 4.839 4.170 0.040 0.000 0.308 354 I C 0.465 176.515 176.117 -0.112 0.000 1.016 354 I CA -0.605 60.548 61.300 -0.245 0.000 1.098 354 I CB 1.992 39.823 38.000 -0.282 0.000 1.279 354 I HN 0.577 nan 8.210 nan 0.000 0.454 355 S N 3.302 118.969 115.700 -0.056 0.000 2.652 355 S HA 0.356 4.850 4.470 0.040 0.000 0.270 355 S C 0.971 175.603 174.600 0.053 0.000 1.243 355 S CA -0.557 57.637 58.200 -0.009 0.000 0.999 355 S CB 1.653 64.852 63.200 -0.002 0.000 0.973 355 S HN 0.905 nan 8.310 nan 0.000 0.544 356 R N 0.783 121.319 120.500 0.060 0.000 2.091 356 R HA -0.138 4.226 4.340 0.040 0.000 0.238 356 R C 2.332 178.729 176.300 0.162 0.000 1.136 356 R CA 1.632 57.810 56.100 0.129 0.000 0.959 356 R CB -1.124 29.227 30.300 0.084 0.000 0.856 356 R HN 0.860 nan 8.270 nan 0.000 0.437 357 A N 0.727 123.605 122.820 0.096 0.000 1.883 357 A HA -0.248 4.096 4.320 0.040 0.000 0.217 357 A C 2.059 179.699 177.584 0.093 0.000 1.186 357 A CA 1.700 53.784 52.037 0.078 0.000 0.624 357 A CB -0.592 18.439 19.000 0.051 0.000 0.822 357 A HN 0.529 nan 8.150 nan 0.000 0.444 358 Q N -1.878 117.986 119.800 0.106 0.000 2.170 358 Q HA -0.147 4.217 4.340 0.040 0.000 0.203 358 Q C 1.840 177.977 176.000 0.228 0.000 0.976 358 Q CA 1.555 57.439 55.803 0.135 0.000 0.858 358 Q CB -0.291 28.504 28.738 0.096 0.000 0.907 358 Q HN 0.827 nan 8.270 nan 0.000 0.433 359 F N 0.820 120.816 119.950 0.077 0.000 2.084 359 F HA -0.210 4.343 4.527 0.044 0.000 0.296 359 F C 1.707 177.553 175.800 0.077 0.000 1.111 359 F CA 0.929 58.984 58.000 0.092 0.000 1.224 359 F CB 0.024 39.062 39.000 0.063 0.000 0.991 359 F HN -0.046 nan 8.300 nan 0.000 0.471 360 L N 0.894 122.036 121.223 -0.135 0.000 2.021 360 L HA -0.291 4.073 4.340 0.040 0.000 0.215 360 L C 2.842 179.634 176.870 -0.130 0.000 1.074 360 L CA 1.503 56.217 54.840 -0.210 0.000 0.760 360 L CB -1.590 40.432 42.059 -0.060 0.000 0.889 360 L HN 0.273 nan 8.230 nan 0.000 0.433 361 A N 0.436 123.240 122.820 -0.026 0.000 1.883 361 A HA -0.136 4.208 4.320 0.040 0.000 0.217 361 A C 2.458 180.049 177.584 0.011 0.000 1.186 361 A CA 1.929 53.971 52.037 0.009 0.000 0.624 361 A CB -1.415 17.615 19.000 0.051 0.000 0.822 361 A HN 0.464 nan 8.150 nan 0.000 0.444 362 G N -0.871 107.953 108.800 0.040 0.000 2.422 362 G HA2 -0.029 3.955 3.960 0.040 0.000 0.218 362 G HA3 -0.029 3.955 3.960 0.040 0.000 0.218 362 G C 1.453 176.337 174.900 -0.026 0.000 1.140 362 G CA 1.041 46.172 45.100 0.052 0.000 0.775 362 G HN 0.311 nan 8.290 nan 0.000 0.545 363 V N 1.127 120.962 119.914 -0.132 0.000 2.392 363 V HA -0.155 3.989 4.120 0.040 0.000 0.249 363 V C 2.932 178.979 176.094 -0.080 0.000 1.059 363 V CA 1.650 63.856 62.300 -0.157 0.000 1.051 363 V CB -0.362 31.266 31.823 -0.325 0.000 0.658 363 V HN 0.248 nan 8.190 nan 0.000 0.455 364 R N -0.374 120.087 120.500 -0.065 0.000 2.148 364 R HA 0.091 4.455 4.340 0.040 0.000 0.223 364 R C 2.015 178.301 176.300 -0.024 0.000 1.088 364 R CA 1.146 57.223 56.100 -0.039 0.000 0.985 364 R CB -0.653 29.630 30.300 -0.029 0.000 0.880 364 R HN 0.472 nan 8.270 nan 0.000 0.451 365 I N -0.406 120.158 120.570 -0.011 0.000 2.400 365 I HA -0.053 4.141 4.170 0.040 0.000 0.248 365 I C 2.260 178.377 176.117 -0.000 0.000 1.109 365 I CA 1.250 62.554 61.300 0.006 0.000 1.425 365 I CB -0.429 37.594 38.000 0.039 0.000 1.094 365 I HN 0.177 nan 8.210 nan 0.000 0.425 366 G N 0.301 109.096 108.800 -0.009 0.000 2.448 366 G HA2 -0.045 3.939 3.960 0.040 0.000 0.218 366 G HA3 -0.045 3.939 3.960 0.040 0.000 0.218 366 G C 0.842 175.721 174.900 -0.035 0.000 1.135 366 G CA 0.369 45.461 45.100 -0.013 0.000 0.784 366 G HN 0.224 nan 8.290 nan 0.000 0.543 367 V N 2.356 122.231 119.914 -0.065 0.000 2.326 367 V HA 0.211 4.355 4.120 0.040 0.000 0.254 367 V C -1.377 174.685 176.094 -0.053 0.000 1.022 367 V CA -1.108 61.118 62.300 -0.123 0.000 1.074 367 V CB 1.479 33.220 31.823 -0.137 0.000 1.305 367 V HN 0.080 nan 8.190 nan 0.000 0.506 368 P HA -0.209 nan 4.420 nan 0.000 0.219 368 P C 1.375 178.657 177.300 -0.030 0.000 1.146 368 P CA 1.193 64.275 63.100 -0.031 0.000 0.808 368 P CB 0.352 32.029 31.700 -0.039 0.000 0.779 369 Q N -0.294 119.494 119.800 -0.019 0.000 2.432 369 Q HA 0.108 4.472 4.340 0.040 0.000 0.205 369 Q C 0.777 176.762 176.000 -0.025 0.000 0.945 369 Q CA 0.247 56.039 55.803 -0.019 0.000 0.924 369 Q CB -0.643 28.093 28.738 -0.003 0.000 1.016 369 Q HN 0.049 nan 8.270 nan 0.000 0.503 370 A N 2.400 125.203 122.820 -0.027 0.000 2.450 370 A HA 0.339 4.683 4.320 0.040 0.000 0.255 370 A C 0.486 178.053 177.584 -0.028 0.000 1.096 370 A CA 0.114 52.135 52.037 -0.027 0.000 0.778 370 A CB 0.254 19.242 19.000 -0.020 0.000 1.031 370 A HN 0.503 nan 8.150 nan 0.000 0.494 371 S N 2.014 117.695 115.700 -0.032 0.000 2.624 371 S HA 0.157 4.650 4.470 0.040 0.000 0.263 371 S C 0.478 175.068 174.600 -0.017 0.000 1.287 371 S CA 0.143 58.326 58.200 -0.027 0.000 0.990 371 S CB 0.515 63.694 63.200 -0.034 0.000 0.950 371 S HN 0.621 nan 8.310 nan 0.000 0.561 372 D N 0.444 120.837 120.400 -0.012 0.000 2.126 372 D HA -0.141 4.522 4.640 0.040 0.000 0.190 372 D C 1.725 178.030 176.300 0.009 0.000 1.001 372 D CA 1.607 55.605 54.000 -0.002 0.000 0.841 372 D CB -0.506 40.294 40.800 -0.000 0.000 0.949 372 D HN 0.495 nan 8.370 nan 0.000 0.446 373 L N 0.325 121.554 121.223 0.009 0.000 2.056 373 L HA -0.044 4.320 4.340 0.040 0.000 0.207 373 L C 2.051 178.945 176.870 0.040 0.000 1.078 373 L CA 1.872 56.727 54.840 0.026 0.000 0.749 373 L CB -0.623 41.446 42.059 0.016 0.000 0.901 373 L HN 0.008 nan 8.230 nan 0.000 0.433 374 A N -0.399 122.426 122.820 0.008 0.000 1.933 374 A HA -0.094 4.250 4.320 0.040 0.000 0.218 374 A C 2.443 180.056 177.584 0.049 0.000 1.175 374 A CA 1.725 53.766 52.037 0.006 0.000 0.628 374 A CB -1.133 17.838 19.000 -0.049 0.000 0.814 374 A HN 0.582 nan 8.150 nan 0.000 0.444 375 A N -0.553 122.284 122.820 0.027 0.000 1.898 375 A HA -0.141 4.203 4.320 0.040 0.000 0.216 375 A C 1.979 179.586 177.584 0.038 0.000 1.181 375 A CA 1.737 53.785 52.037 0.018 0.000 0.620 375 A CB -0.487 18.502 19.000 -0.017 0.000 0.819 375 A HN 0.626 nan 8.150 nan 0.000 0.442 376 E N -0.250 119.983 120.200 0.055 0.000 2.110 376 E HA -0.095 4.279 4.350 0.040 0.000 0.193 376 E C 2.149 178.833 176.600 0.139 0.000 0.988 376 E CA 0.917 57.368 56.400 0.084 0.000 0.804 376 E CB -0.232 29.516 29.700 0.080 0.000 0.745 376 E HN 0.573 nan 8.360 nan 0.000 0.458 377 A N 0.268 123.192 122.820 0.172 0.000 1.865 377 A HA -0.188 4.156 4.320 0.040 0.000 0.217 377 A C 2.407 180.128 177.584 0.227 0.000 1.191 377 A CA 1.649 53.846 52.037 0.266 0.000 0.623 377 A CB -0.868 18.380 19.000 0.414 0.000 0.826 377 A HN 0.207 nan 8.150 nan 0.000 0.444 378 V N -0.372 119.690 119.914 0.246 0.000 2.287 378 V HA -0.265 3.879 4.120 0.040 0.000 0.248 378 V C 2.574 178.829 176.094 0.268 0.000 1.053 378 V CA 2.130 64.546 62.300 0.193 0.000 1.027 378 V CB -0.892 31.058 31.823 0.211 0.000 0.646 378 V HN 0.375 nan 8.190 nan 0.000 0.447 379 V N -0.415 119.594 119.914 0.159 0.000 2.343 379 V HA -0.242 3.901 4.120 0.040 0.000 0.247 379 V C 2.246 178.549 176.094 0.347 0.000 1.051 379 V CA 1.929 64.352 62.300 0.204 0.000 1.036 379 V CB -0.473 31.370 31.823 0.034 0.000 0.654 379 V HN 0.453 nan 8.190 nan 0.000 0.451 380 L N -0.719 120.684 121.223 0.301 0.000 2.156 380 L HA -0.147 4.217 4.340 0.040 0.000 0.208 380 L C 2.496 179.590 176.870 0.373 0.000 1.095 380 L CA 1.680 56.773 54.840 0.422 0.000 0.770 380 L CB -0.636 41.603 42.059 0.301 0.000 0.914 380 L HN 0.478 nan 8.230 nan 0.000 0.439 381 H N -1.073 118.013 119.070 0.026 0.000 2.436 381 H HA -0.143 4.439 4.556 0.043 0.000 0.294 381 H C 1.625 176.838 175.328 -0.191 0.000 1.048 381 H CA 1.559 57.465 56.048 -0.237 0.000 1.353 381 H CB 0.126 29.366 29.762 -0.871 0.000 1.414 381 H HN 0.255 nan 8.280 nan 0.000 0.536 382 Y N 0.242 120.577 120.300 0.058 0.000 2.466 382 Y HA 0.149 4.722 4.550 0.038 0.000 0.272 382 Y C 0.575 176.422 175.900 -0.087 0.000 1.169 382 Y CA 0.088 58.216 58.100 0.047 0.000 1.285 382 Y CB 0.480 39.111 38.460 0.285 0.000 1.078 382 Y HN 0.075 nan 8.280 nan 0.000 0.523 383 T N 0.774 115.298 114.554 -0.050 0.000 2.913 383 T HA -0.036 4.338 4.350 0.040 0.000 0.297 383 T C -0.216 174.099 174.700 -0.641 0.000 1.029 383 T CA -0.481 61.331 62.100 -0.480 0.000 1.104 383 T CB 0.761 69.060 68.868 -0.949 0.000 0.964 383 T HN 0.066 nan 8.240 nan 0.000 0.532 384 D N 1.220 121.269 120.400 -0.586 0.000 2.411 384 D HA 0.091 4.755 4.640 0.040 0.000 0.225 384 D C -0.003 175.981 176.300 -0.528 0.000 1.156 384 D CA -0.406 53.317 54.000 -0.462 0.000 0.874 384 D CB 0.481 40.991 40.800 -0.483 0.000 1.034 384 D HN 0.625 nan 8.370 nan 0.000 0.502 385 W N 2.873 124.094 121.300 -0.132 0.000 2.519 385 W HA -0.004 4.678 4.660 0.036 0.000 0.266 385 W C 2.131 178.550 176.519 -0.167 0.000 1.253 385 W CA -0.177 57.096 57.345 -0.118 0.000 1.274 385 W CB 0.037 29.439 29.460 -0.097 0.000 1.114 385 W HN 0.440 nan 8.180 nan 0.000 0.596 386 L N -0.777 120.366 121.223 -0.133 0.000 2.291 386 L HA -0.146 4.218 4.340 0.040 0.000 0.214 386 L C 1.982 178.516 176.870 -0.560 0.000 1.120 386 L CA 0.936 55.545 54.840 -0.386 0.000 0.799 386 L CB -0.389 41.305 42.059 -0.609 0.000 0.925 386 L HN 0.128 nan 8.230 nan 0.000 0.446 387 H N -2.284 116.677 119.070 -0.182 0.000 2.885 387 H HA 0.208 4.770 4.556 0.011 0.000 0.260 387 H C -1.152 174.068 175.328 -0.180 0.000 0.985 387 H CA -0.121 55.795 56.048 -0.221 0.000 1.210 387 H CB -0.139 29.396 29.762 -0.379 0.000 1.466 387 H HN 0.258 nan 8.280 nan 0.000 0.493 388 P HA 0.154 nan 4.420 nan 0.000 0.275 388 P C 0.402 177.585 177.300 -0.195 0.000 1.310 388 P CA 0.468 63.400 63.100 -0.280 0.000 0.904 388 P CB 0.615 32.143 31.700 -0.287 0.000 1.381 389 E N -0.253 119.892 120.200 -0.091 0.000 2.812 389 E HA 0.101 4.475 4.350 0.040 0.000 0.211 389 E C -0.600 175.979 176.600 -0.034 0.000 0.986 389 E CA -0.091 56.277 56.400 -0.054 0.000 1.119 389 E CB 0.328 30.015 29.700 -0.022 0.000 1.046 389 E HN 0.144 nan 8.360 nan 0.000 0.474 390 D N 1.888 122.273 120.400 -0.024 0.000 2.325 390 D HA 0.086 4.750 4.640 0.040 0.000 0.251 390 D C -1.640 174.651 176.300 -0.015 0.000 1.196 390 D CA -2.127 51.882 54.000 0.015 0.000 0.866 390 D CB 1.529 42.401 40.800 0.120 0.000 1.101 390 D HN -0.190 nan 8.370 nan 0.000 0.476 391 P HA -0.122 nan 4.420 nan 0.000 0.217 391 P C 1.156 178.375 177.300 -0.135 0.000 1.150 391 P CA 1.053 64.091 63.100 -0.103 0.000 0.832 391 P CB 0.162 31.794 31.700 -0.114 0.000 0.787 392 T N -1.447 113.028 114.554 -0.132 0.000 2.684 392 T HA -0.215 4.159 4.350 0.040 0.000 0.267 392 T C 1.545 176.133 174.700 -0.187 0.000 1.036 392 T CA 1.802 63.794 62.100 -0.180 0.000 1.148 392 T CB -1.174 67.566 68.868 -0.213 0.000 0.863 392 T HN 0.287 nan 8.240 nan 0.000 0.436 393 H N 0.656 119.649 119.070 -0.130 0.000 2.293 393 H HA 0.073 4.647 4.556 0.030 0.000 0.300 393 H C 2.249 177.459 175.328 -0.198 0.000 1.082 393 H CA 1.324 57.292 56.048 -0.134 0.000 1.308 393 H CB -0.436 29.243 29.762 -0.137 0.000 1.375 393 H HN 0.166 nan 8.280 nan 0.000 0.495 394 L N 0.179 121.325 121.223 -0.129 0.000 2.079 394 L HA -0.219 4.145 4.340 0.040 0.000 0.210 394 L C 2.774 179.518 176.870 -0.209 0.000 1.081 394 L CA 1.231 55.868 54.840 -0.338 0.000 0.752 394 L CB -0.367 41.536 42.059 -0.259 0.000 0.896 394 L HN 0.270 nan 8.230 nan 0.000 0.433 395 R N 0.493 120.931 120.500 -0.104 0.000 2.070 395 R HA -0.191 4.173 4.340 0.040 0.000 0.233 395 R C 1.745 178.102 176.300 0.094 0.000 1.137 395 R CA 2.174 58.279 56.100 0.010 0.000 0.945 395 R CB -0.507 29.656 30.300 -0.227 0.000 0.845 395 R HN 0.353 nan 8.270 nan 0.000 0.430 396 D N 0.374 120.787 120.400 0.022 0.000 2.144 396 D HA -0.121 4.543 4.640 0.040 0.000 0.199 396 D C 1.718 178.068 176.300 0.084 0.000 0.984 396 D CA 1.482 55.532 54.000 0.084 0.000 0.834 396 D CB -0.153 40.671 40.800 0.039 0.000 0.955 396 D HN 0.401 nan 8.370 nan 0.000 0.465 397 A N 0.719 123.536 122.820 -0.006 0.000 1.898 397 A HA -0.138 4.206 4.320 0.040 0.000 0.216 397 A C 2.151 179.724 177.584 -0.018 0.000 1.181 397 A CA 1.392 53.409 52.037 -0.034 0.000 0.620 397 A CB -0.459 18.395 19.000 -0.243 0.000 0.819 397 A HN 0.155 nan 8.150 nan 0.000 0.442 398 M N 0.047 119.684 119.600 0.061 0.000 2.213 398 M HA -0.095 4.409 4.480 0.040 0.000 0.263 398 M C 2.231 178.575 176.300 0.073 0.000 1.062 398 M CA 2.056 57.489 55.300 0.222 0.000 1.105 398 M CB -0.413 32.382 32.600 0.326 0.000 1.385 398 M HN 0.418 nan 8.290 nan 0.000 0.417 399 S N -0.355 115.406 115.700 0.102 0.000 2.368 399 S HA -0.031 4.463 4.470 0.040 0.000 0.224 399 S C 2.039 176.704 174.600 0.110 0.000 1.029 399 S CA 1.277 59.556 58.200 0.133 0.000 0.988 399 S CB -0.510 62.834 63.200 0.239 0.000 0.838 399 S HN 0.615 nan 8.310 nan 0.000 0.462 400 A N 0.979 123.861 122.820 0.103 0.000 1.898 400 A HA 0.051 4.395 4.320 0.040 0.000 0.216 400 A C 2.358 179.961 177.584 0.032 0.000 1.181 400 A CA 1.634 53.752 52.037 0.134 0.000 0.620 400 A CB -1.121 18.031 19.000 0.252 0.000 0.819 400 A HN 0.451 nan 8.150 nan 0.000 0.442 401 V N -0.295 119.501 119.914 -0.198 0.000 2.282 401 V HA -0.265 3.879 4.120 0.040 0.000 0.249 401 V C 2.580 178.621 176.094 -0.088 0.000 1.057 401 V CA 2.219 64.395 62.300 -0.207 0.000 1.032 401 V CB -0.755 30.980 31.823 -0.148 0.000 0.645 401 V HN 0.386 nan 8.190 nan 0.000 0.447 402 V N 0.497 120.376 119.914 -0.058 0.000 2.323 402 V HA -0.105 4.039 4.120 0.040 0.000 0.244 402 V C 2.610 178.606 176.094 -0.162 0.000 1.041 402 V CA 2.019 64.265 62.300 -0.089 0.000 1.025 402 V CB -1.331 30.486 31.823 -0.010 0.000 0.656 402 V HN 0.601 nan 8.190 nan 0.000 0.451 403 G N -0.071 108.701 108.800 -0.047 0.000 2.459 403 G HA2 -0.267 3.717 3.960 0.040 0.000 0.217 403 G HA3 -0.267 3.717 3.960 0.040 0.000 0.217 403 G C 1.225 176.051 174.900 -0.123 0.000 1.183 403 G CA 1.164 46.245 45.100 -0.032 0.000 0.776 403 G HN 0.494 nan 8.290 nan 0.000 0.552 404 D N -0.225 120.122 120.400 -0.089 0.000 2.104 404 D HA -0.109 4.555 4.640 0.040 0.000 0.194 404 D C 2.105 178.097 176.300 -0.514 0.000 0.994 404 D CA 1.425 55.331 54.000 -0.155 0.000 0.830 404 D CB -0.556 40.305 40.800 0.101 0.000 0.959 404 D HN 0.450 nan 8.370 nan 0.000 0.452 405 H N 0.587 119.111 119.070 -0.910 0.000 2.387 405 H HA 0.015 4.595 4.556 0.039 0.000 0.299 405 H C 1.432 176.375 175.328 -0.641 0.000 1.090 405 H CA 1.683 57.020 56.048 -1.186 0.000 1.332 405 H CB 0.104 29.128 29.762 -1.229 0.000 1.386 405 H HN 0.012 nan 8.280 nan 0.000 0.516 406 N N -0.931 117.334 118.700 -0.725 0.000 2.415 406 N HA 0.021 4.785 4.740 0.040 0.000 0.174 406 N C 1.205 176.491 175.510 -0.374 0.000 1.048 406 N CA 1.049 53.627 53.050 -0.785 0.000 0.895 406 N CB 1.078 38.562 38.487 -1.672 0.000 1.036 406 N HN 0.267 nan 8.380 nan 0.000 0.449 407 V N -0.233 119.514 119.914 -0.280 0.000 3.264 407 V HA 0.064 4.208 4.120 0.040 0.000 0.217 407 V C 2.230 178.289 176.094 -0.057 0.000 1.236 407 V CA 0.175 62.445 62.300 -0.050 0.000 1.287 407 V CB -0.334 31.537 31.823 0.079 0.000 1.241 407 V HN -0.188 nan 8.190 nan 0.000 0.518 408 V N 0.255 120.137 119.914 -0.052 0.000 2.252 408 V HA -0.347 3.797 4.120 0.040 0.000 0.249 408 V C 2.526 178.585 176.094 -0.057 0.000 1.056 408 V CA 2.760 65.037 62.300 -0.038 0.000 1.022 408 V CB -0.846 30.982 31.823 0.008 0.000 0.641 408 V HN 0.692 nan 8.190 nan 0.000 0.445 409 c N -0.491 118.066 118.600 -0.073 0.000 2.457 409 c HA 0.009 4.602 4.570 0.040 0.000 0.278 409 c C 0.557 174.614 174.090 -0.054 0.000 1.309 409 c CA 0.911 57.226 56.329 -0.024 0.000 1.735 409 c CB -1.809 40.721 42.510 0.033 0.000 1.992 409 c HN 0.474 nan 8.230 nan 0.000 0.493 410 P HA -0.073 nan 4.420 nan 0.000 0.216 410 P C 1.786 179.029 177.300 -0.096 0.000 1.150 410 P CA 1.350 64.381 63.100 -0.115 0.000 0.837 410 P CB -0.186 31.417 31.700 -0.161 0.000 0.786 411 V N 0.330 120.189 119.914 -0.092 0.000 2.261 411 V HA -0.273 3.871 4.120 0.040 0.000 0.246 411 V C 2.508 178.510 176.094 -0.153 0.000 1.047 411 V CA 2.368 64.598 62.300 -0.117 0.000 1.015 411 V CB -1.694 30.056 31.823 -0.122 0.000 0.642 411 V HN 0.097 nan 8.190 nan 0.000 0.446 412 A N -0.372 122.370 122.820 -0.130 0.000 1.908 412 A HA -0.358 3.986 4.320 0.040 0.000 0.218 412 A C 2.215 179.767 177.584 -0.054 0.000 1.181 412 A CA 2.488 54.456 52.037 -0.115 0.000 0.627 412 A CB -0.615 18.366 19.000 -0.031 0.000 0.818 412 A HN 0.674 nan 8.150 nan 0.000 0.445 413 Q N -0.709 119.073 119.800 -0.030 0.000 2.050 413 Q HA -0.157 4.207 4.340 0.040 0.000 0.202 413 Q C 1.920 177.904 176.000 -0.027 0.000 0.980 413 Q CA 1.924 57.724 55.803 -0.006 0.000 0.840 413 Q CB -0.408 28.325 28.738 -0.008 0.000 0.898 413 Q HN 0.519 nan 8.270 nan 0.000 0.424 414 L N 0.408 121.587 121.223 -0.072 0.000 2.046 414 L HA -0.029 4.335 4.340 0.040 0.000 0.208 414 L C 2.275 179.080 176.870 -0.107 0.000 1.077 414 L CA 2.164 56.947 54.840 -0.094 0.000 0.747 414 L CB -0.917 41.072 42.059 -0.118 0.000 0.896 414 L HN 0.331 nan 8.230 nan 0.000 0.432 415 A N -0.374 122.349 122.820 -0.162 0.000 1.908 415 A HA -0.103 4.241 4.320 0.040 0.000 0.218 415 A C 2.355 179.947 177.584 0.013 0.000 1.181 415 A CA 1.652 53.550 52.037 -0.232 0.000 0.627 415 A CB -1.691 16.905 19.000 -0.672 0.000 0.818 415 A HN 0.543 nan 8.150 nan 0.000 0.445 416 G N -0.507 108.359 108.800 0.110 0.000 2.446 416 G HA2 -0.258 3.726 3.960 0.040 0.000 0.217 416 G HA3 -0.258 3.726 3.960 0.040 0.000 0.217 416 G C 1.684 176.662 174.900 0.131 0.000 1.168 416 G CA 0.938 46.171 45.100 0.220 0.000 0.771 416 G HN 0.421 nan 8.290 nan 0.000 0.551 417 R N 0.150 120.696 120.500 0.075 0.000 2.090 417 R HA 0.133 4.497 4.340 0.040 0.000 0.228 417 R C 2.695 179.063 176.300 0.114 0.000 1.110 417 R CA 0.491 56.646 56.100 0.092 0.000 0.973 417 R CB -1.052 29.301 30.300 0.089 0.000 0.869 417 R HN 0.417 nan 8.270 nan 0.000 0.440 418 L N 0.291 121.522 121.223 0.013 0.000 2.046 418 L HA -0.105 4.259 4.340 0.040 0.000 0.208 418 L C 2.645 179.569 176.870 0.089 0.000 1.077 418 L CA 1.435 56.254 54.840 -0.035 0.000 0.747 418 L CB -0.695 41.236 42.059 -0.214 0.000 0.896 418 L HN 0.124 nan 8.230 nan 0.000 0.432 419 A N 0.117 122.997 122.820 0.101 0.000 1.877 419 A HA -0.151 4.193 4.320 0.040 0.000 0.216 419 A C 2.541 180.181 177.584 0.094 0.000 1.186 419 A CA 1.691 53.795 52.037 0.111 0.000 0.620 419 A CB -0.792 18.311 19.000 0.172 0.000 0.822 419 A HN 0.382 nan 8.150 nan 0.000 0.443 420 A N -1.007 121.874 122.820 0.101 0.000 1.978 420 A HA -0.169 4.175 4.320 0.040 0.000 0.220 420 A C 1.859 179.501 177.584 0.095 0.000 1.170 420 A CA 1.675 53.762 52.037 0.084 0.000 0.636 420 A CB -0.376 18.674 19.000 0.082 0.000 0.810 420 A HN 0.611 nan 8.150 nan 0.000 0.448 421 Q N -1.603 118.287 119.800 0.149 0.000 2.217 421 Q HA 0.385 4.749 4.340 0.040 0.000 0.226 421 Q C 0.890 176.987 176.000 0.162 0.000 0.875 421 Q CA 0.421 56.321 55.803 0.162 0.000 0.974 421 Q CB 0.237 29.116 28.738 0.235 0.000 1.079 421 Q HN 0.811 nan 8.270 nan 0.000 0.463 422 G N -0.415 108.459 108.800 0.123 0.000 2.176 422 G HA2 -0.318 3.666 3.960 0.040 0.000 0.253 422 G HA3 -0.318 3.666 3.960 0.040 0.000 0.253 422 G C 0.393 175.362 174.900 0.116 0.000 0.979 422 G CA -0.089 45.070 45.100 0.097 0.000 0.641 422 G HN 0.581 nan 8.290 nan 0.000 0.530 423 A N -0.138 122.778 122.820 0.159 0.000 2.366 423 A HA 0.672 5.016 4.320 0.040 0.000 0.250 423 A C 0.786 178.409 177.584 0.064 0.000 1.099 423 A CA 0.773 52.883 52.037 0.123 0.000 0.794 423 A CB 0.297 19.352 19.000 0.093 0.000 1.056 423 A HN 0.869 nan 8.150 nan 0.000 0.499 424 R N 0.786 121.318 120.500 0.054 0.000 2.288 424 R HA 0.529 4.893 4.340 0.040 0.000 0.326 424 R C -1.815 174.462 176.300 -0.038 0.000 0.959 424 R CA -0.279 55.818 56.100 -0.005 0.000 0.834 424 R CB 0.771 31.095 30.300 0.041 0.000 1.157 424 R HN 0.471 nan 8.270 nan 0.000 0.470 425 V N 5.602 125.433 119.914 -0.139 0.000 2.459 425 V HA 0.418 4.562 4.120 0.040 0.000 0.295 425 V C -0.994 174.916 176.094 -0.307 0.000 1.029 425 V CA -0.745 61.488 62.300 -0.111 0.000 0.874 425 V CB 1.364 33.200 31.823 0.020 0.000 0.985 425 V HN 0.634 nan 8.190 nan 0.000 0.438 426 Y N 2.354 122.587 120.300 -0.112 0.000 2.393 426 Y HA 0.797 5.371 4.550 0.039 0.000 0.341 426 Y C 0.353 176.277 175.900 0.041 0.000 0.988 426 Y CA -0.476 57.526 58.100 -0.163 0.000 1.078 426 Y CB 2.192 40.179 38.460 -0.788 0.000 1.203 426 Y HN 0.782 nan 8.280 nan 0.000 0.453 427 A N 2.923 126.085 122.820 0.569 0.000 2.469 427 A HA 0.897 5.240 4.320 0.040 0.000 0.299 427 A C -1.946 176.063 177.584 0.707 0.000 1.098 427 A CA -0.739 51.552 52.037 0.423 0.000 0.737 427 A CB 1.354 20.388 19.000 0.055 0.000 1.312 427 A HN 0.763 nan 8.150 nan 0.000 0.414 428 Y N -1.020 119.533 120.300 0.422 0.000 2.597 428 Y HA 0.770 5.343 4.550 0.039 0.000 0.340 428 Y C -1.225 174.859 175.900 0.306 0.000 1.097 428 Y CA -1.382 56.913 58.100 0.325 0.000 1.037 428 Y CB 1.185 39.815 38.460 0.284 0.000 1.305 428 Y HN 0.747 nan 8.280 nan 0.000 0.463 429 I N 3.350 124.217 120.570 0.495 0.000 2.433 429 I HA 0.501 4.695 4.170 0.040 0.000 0.292 429 I C -1.723 174.736 176.117 0.569 0.000 1.001 429 I CA -1.078 60.482 61.300 0.433 0.000 1.119 429 I CB 1.151 39.343 38.000 0.320 0.000 1.289 429 I HN 0.741 nan 8.210 nan 0.000 0.438 430 F N 7.214 127.457 119.950 0.489 0.000 2.391 430 F HA 0.390 4.941 4.527 0.040 0.000 0.359 430 F C 0.554 176.515 175.800 0.269 0.000 1.122 430 F CA -0.003 58.233 58.000 0.392 0.000 1.120 430 F CB 0.873 40.131 39.000 0.429 0.000 1.142 430 F HN 0.557 nan 8.300 nan 0.000 0.483 431 E N 2.928 123.039 120.200 -0.148 0.000 2.583 431 E HA -0.019 4.355 4.350 0.040 0.000 0.213 431 E C -0.702 175.806 176.600 -0.153 0.000 0.989 431 E CA -0.161 56.211 56.400 -0.047 0.000 0.991 431 E CB 0.279 29.966 29.700 -0.021 0.000 1.040 431 E HN 0.557 nan 8.360 nan 0.000 0.481 432 H N 1.432 120.189 119.070 -0.521 0.000 2.620 432 H HA 0.204 4.784 4.556 0.040 0.000 0.313 432 H C -0.288 175.026 175.328 -0.024 0.000 1.075 432 H CA -0.405 55.408 56.048 -0.391 0.000 1.397 432 H CB 0.528 29.855 29.762 -0.725 0.000 1.446 432 H HN -0.146 nan 8.280 nan 0.000 0.493 433 R N 4.269 124.464 120.500 -0.508 0.000 2.234 433 R HA 0.449 4.813 4.340 0.040 0.000 0.324 433 R C -0.565 175.540 176.300 -0.324 0.000 1.054 433 R CA -0.584 55.375 56.100 -0.235 0.000 0.912 433 R CB 0.331 30.548 30.300 -0.138 0.000 1.030 433 R HN 0.816 nan 8.270 nan 0.000 0.455 434 A N 3.232 126.175 122.820 0.206 0.000 2.567 434 A HA -0.022 4.321 4.320 0.040 0.000 0.240 434 A C 1.358 179.077 177.584 0.224 0.000 1.053 434 A CA 0.607 52.959 52.037 0.526 0.000 0.755 434 A CB 0.269 19.664 19.000 0.658 0.000 0.978 434 A HN 1.029 nan 8.150 nan 0.000 0.507 435 S N 1.679 117.538 115.700 0.266 0.000 2.402 435 S HA -0.167 4.327 4.470 0.040 0.000 0.229 435 S C 1.559 176.158 174.600 -0.002 0.000 1.021 435 S CA 1.615 59.877 58.200 0.102 0.000 0.974 435 S CB -0.979 62.298 63.200 0.130 0.000 0.800 435 S HN 1.292 nan 8.310 nan 0.000 0.484 436 T N -0.355 114.159 114.554 -0.067 0.000 3.113 436 T HA 0.216 4.590 4.350 0.040 0.000 0.263 436 T C 0.591 175.213 174.700 -0.131 0.000 1.143 436 T CA -0.289 61.699 62.100 -0.186 0.000 1.090 436 T CB -0.621 67.995 68.868 -0.421 0.000 0.922 436 T HN 0.201 nan 8.240 nan 0.000 0.521 437 L N 3.861 125.045 121.223 -0.065 0.000 2.514 437 L HA 0.221 4.585 4.340 0.040 0.000 0.280 437 L C 1.599 178.407 176.870 -0.104 0.000 1.223 437 L CA 0.763 55.548 54.840 -0.092 0.000 0.864 437 L CB 0.816 42.831 42.059 -0.073 0.000 1.118 437 L HN 0.508 nan 8.230 nan 0.000 0.494 438 T N -1.238 113.218 114.554 -0.163 0.000 3.023 438 T HA 0.113 4.486 4.350 0.040 0.000 0.253 438 T C 0.333 175.060 174.700 0.044 0.000 1.038 438 T CA -0.500 61.523 62.100 -0.129 0.000 0.962 438 T CB -0.252 68.420 68.868 -0.326 0.000 1.018 438 T HN 0.343 nan 8.240 nan 0.000 0.521 439 W N 3.534 124.858 121.300 0.040 0.000 2.150 439 W HA 0.422 5.106 4.660 0.039 0.000 0.341 439 W C -2.022 174.397 176.519 -0.167 0.000 1.276 439 W CA -2.191 55.147 57.345 -0.012 0.000 1.238 439 W CB 0.232 29.614 29.460 -0.129 0.000 1.128 439 W HN -0.021 nan 8.180 nan 0.000 0.581 440 P HA -0.017 nan 4.420 nan 0.000 0.270 440 P C 0.594 177.774 177.300 -0.199 0.000 1.223 440 P CA 0.053 63.071 63.100 -0.137 0.000 0.785 440 P CB 0.887 32.459 31.700 -0.214 0.000 0.923 441 L N 0.800 121.986 121.223 -0.062 0.000 2.129 441 L HA -0.150 4.214 4.340 0.040 0.000 0.212 441 L C 2.440 179.326 176.870 0.027 0.000 1.087 441 L CA 1.477 56.311 54.840 -0.010 0.000 0.757 441 L CB -0.727 41.360 42.059 0.047 0.000 0.896 441 L HN 0.618 nan 8.230 nan 0.000 0.434 442 W N -1.517 119.816 121.300 0.055 0.000 2.519 442 W HA -0.120 4.564 4.660 0.039 0.000 0.266 442 W C 1.696 178.260 176.519 0.075 0.000 1.253 442 W CA 0.302 57.679 57.345 0.054 0.000 1.274 442 W CB -0.753 28.738 29.460 0.051 0.000 1.114 442 W HN 0.167 nan 8.180 nan 0.000 0.596 443 M N 1.417 120.744 119.600 -0.455 0.000 2.630 443 M HA 0.096 4.600 4.480 0.040 0.000 0.254 443 M C 1.907 178.152 176.300 -0.092 0.000 1.092 443 M CA 1.504 56.552 55.300 -0.421 0.000 1.087 443 M CB -0.616 31.547 32.600 -0.727 0.000 1.453 443 M HN 0.212 nan 8.290 nan 0.000 0.509 444 G N 0.589 109.375 108.800 -0.024 0.000 2.634 444 G HA2 -0.307 3.676 3.960 0.040 0.000 0.318 444 G HA3 -0.307 3.676 3.960 0.040 0.000 0.318 444 G C -0.021 174.898 174.900 0.031 0.000 1.207 444 G CA 0.086 45.204 45.100 0.031 0.000 0.987 444 G HN 0.262 nan 8.290 nan 0.000 0.547 445 V N 3.677 123.652 119.914 0.102 0.000 2.257 445 V HA 0.476 4.620 4.120 0.040 0.000 0.269 445 V C -1.948 174.280 176.094 0.222 0.000 1.040 445 V CA -0.855 61.556 62.300 0.186 0.000 0.813 445 V CB 1.241 33.228 31.823 0.274 0.000 1.065 445 V HN 0.507 nan 8.190 nan 0.000 0.457 446 P HA 0.199 nan 4.420 nan 0.000 0.276 446 P C -0.223 177.282 177.300 0.342 0.000 1.244 446 P CA -0.519 62.686 63.100 0.175 0.000 0.801 446 P CB 0.385 32.046 31.700 -0.066 0.000 1.006 447 H N 0.938 120.089 119.070 0.135 0.000 3.192 447 H HA 0.199 4.779 4.556 0.039 0.000 0.295 447 H C 1.544 176.839 175.328 -0.054 0.000 0.943 447 H CA 2.437 58.544 56.048 0.099 0.000 1.416 447 H CB -0.728 29.122 29.762 0.147 0.000 1.434 447 H HN 0.759 nan 8.280 nan 0.000 0.565 448 G N 3.479 112.075 108.800 -0.341 0.000 2.259 448 G HA2 -0.300 3.684 3.960 0.040 0.000 0.217 448 G HA3 -0.300 3.684 3.960 0.040 0.000 0.217 448 G C 0.579 175.366 174.900 -0.188 0.000 1.001 448 G CA 0.247 45.099 45.100 -0.414 0.000 0.627 448 G HN 0.628 nan 8.290 nan 0.000 0.501 449 Y N 1.983 122.399 120.300 0.194 0.000 2.470 449 Y HA 0.255 4.829 4.550 0.040 0.000 0.302 449 Y C 2.308 178.315 175.900 0.177 0.000 1.194 449 Y CA 0.903 59.168 58.100 0.276 0.000 1.271 449 Y CB 0.378 39.034 38.460 0.327 0.000 1.092 449 Y HN 0.507 nan 8.280 nan 0.000 0.513 450 E N 0.197 120.358 120.200 -0.064 0.000 2.340 450 E HA -0.061 4.313 4.350 0.040 0.000 0.194 450 E C 1.550 178.056 176.600 -0.156 0.000 0.996 450 E CA 0.640 56.681 56.400 -0.599 0.000 0.869 450 E CB -0.366 28.679 29.700 -1.091 0.000 0.835 450 E HN 0.550 nan 8.360 nan 0.000 0.493 451 I N 2.956 123.535 120.570 0.014 0.000 2.163 451 I HA -0.315 3.879 4.170 0.040 0.000 0.243 451 I C 2.705 178.836 176.117 0.023 0.000 1.085 451 I CA 2.110 63.452 61.300 0.071 0.000 1.347 451 I CB -0.598 37.522 38.000 0.200 0.000 1.044 451 I HN 0.168 nan 8.210 nan 0.000 0.408 452 E N 1.239 121.415 120.200 -0.040 0.000 2.171 452 E HA -0.263 4.111 4.350 0.040 0.000 0.197 452 E C 2.066 178.429 176.600 -0.395 0.000 0.997 452 E CA 1.680 57.942 56.400 -0.231 0.000 0.810 452 E CB -0.670 28.871 29.700 -0.264 0.000 0.738 452 E HN 0.471 nan 8.360 nan 0.000 0.467 453 F N 1.429 121.272 119.950 -0.177 0.000 2.098 453 F HA -0.078 4.473 4.527 0.041 0.000 0.294 453 F C 2.471 178.034 175.800 -0.394 0.000 1.107 453 F CA 0.646 58.473 58.000 -0.288 0.000 1.234 453 F CB -0.287 38.606 39.000 -0.180 0.000 1.002 453 F HN -0.064 nan 8.300 nan 0.000 0.472 454 I N -0.463 119.931 120.570 -0.294 0.000 2.185 454 I HA -0.331 3.863 4.170 0.040 0.000 0.246 454 I C 2.243 178.103 176.117 -0.428 0.000 1.088 454 I CA 1.836 62.799 61.300 -0.562 0.000 1.347 454 I CB -1.631 35.921 38.000 -0.747 0.000 1.041 454 I HN 0.099 nan 8.210 nan 0.000 0.415 455 F N 0.761 120.520 119.950 -0.319 0.000 2.661 455 F HA 0.165 4.716 4.527 0.039 0.000 0.298 455 F C 1.928 177.595 175.800 -0.221 0.000 1.137 455 F CA 1.023 58.880 58.000 -0.238 0.000 1.454 455 F CB -0.168 38.684 39.000 -0.247 0.000 1.103 455 F HN 0.322 nan 8.300 nan 0.000 0.577 456 G N -0.353 108.300 108.800 -0.246 0.000 2.131 456 G HA2 -0.274 3.710 3.960 0.040 0.000 0.223 456 G HA3 -0.274 3.710 3.960 0.040 0.000 0.223 456 G C 0.929 175.287 174.900 -0.902 0.000 0.990 456 G CA 0.258 45.096 45.100 -0.437 0.000 0.671 456 G HN 0.268 nan 8.290 nan 0.000 0.521 457 L N 0.647 121.376 121.223 -0.824 0.000 2.083 457 L HA 0.069 4.433 4.340 0.040 0.000 0.209 457 L C 0.383 176.720 176.870 -0.889 0.000 1.083 457 L CA 2.685 56.972 54.840 -0.922 0.000 0.752 457 L CB -0.977 40.795 42.059 -0.477 0.000 0.899 457 L HN 0.177 nan 8.230 nan 0.000 0.433 458 P HA -0.171 nan 4.420 nan 0.000 0.222 458 P C 1.584 178.624 177.300 -0.433 0.000 1.142 458 P CA 0.992 63.476 63.100 -1.026 0.000 0.788 458 P CB 0.022 31.099 31.700 -1.038 0.000 0.767 459 L N -1.239 119.676 121.223 -0.514 0.000 2.291 459 L HA -0.033 4.331 4.340 0.040 0.000 0.214 459 L C 1.004 177.769 176.870 -0.176 0.000 1.120 459 L CA 1.129 55.782 54.840 -0.310 0.000 0.799 459 L CB -1.123 40.757 42.059 -0.299 0.000 0.925 459 L HN -0.054 nan 8.230 nan 0.000 0.446 460 D N 0.162 120.422 120.400 -0.233 0.000 2.344 460 D HA 0.049 4.713 4.640 0.040 0.000 0.253 460 D C -1.610 174.700 176.300 0.016 0.000 1.255 460 D CA -1.884 52.117 54.000 0.001 0.000 0.894 460 D CB 1.403 42.251 40.800 0.080 0.000 1.067 460 D HN 0.004 nan 8.370 nan 0.000 0.492 461 P HA -0.121 nan 4.420 nan 0.000 0.219 461 P C 1.248 178.560 177.300 0.020 0.000 1.150 461 P CA 0.790 63.905 63.100 0.025 0.000 0.814 461 P CB -0.022 31.690 31.700 0.019 0.000 0.787 462 S N -1.010 114.700 115.700 0.017 0.000 2.584 462 S HA -0.062 4.432 4.470 0.040 0.000 0.240 462 S C 1.522 176.111 174.600 -0.019 0.000 0.975 462 S CA 0.722 58.921 58.200 -0.001 0.000 0.949 462 S CB -1.425 61.777 63.200 0.003 0.000 0.761 462 S HN 0.122 nan 8.310 nan 0.000 0.536 463 L N 0.636 121.858 121.223 -0.002 0.000 2.607 463 L HA 0.280 4.644 4.340 0.040 0.000 0.228 463 L C 0.326 177.102 176.870 -0.156 0.000 1.123 463 L CA -0.182 54.628 54.840 -0.051 0.000 0.890 463 L CB -0.463 41.626 42.059 0.049 0.000 1.103 463 L HN 0.239 nan 8.230 nan 0.000 0.468 464 N N -1.072 117.582 118.700 -0.077 0.000 2.741 464 N HA -0.235 4.529 4.740 0.040 0.000 0.250 464 N C -0.423 175.008 175.510 -0.133 0.000 1.115 464 N CA 0.817 53.807 53.050 -0.100 0.000 0.724 464 N CB -1.542 36.868 38.487 -0.129 0.000 1.090 464 N HN 0.286 nan 8.380 nan 0.000 0.558 465 Y N 1.262 121.537 120.300 -0.040 0.000 2.379 465 Y HA 0.107 4.680 4.550 0.039 0.000 0.337 465 Y C 1.934 177.846 175.900 0.020 0.000 1.238 465 Y CA 0.251 58.350 58.100 -0.002 0.000 1.405 465 Y CB 0.467 38.907 38.460 -0.034 0.000 1.310 465 Y HN 0.044 nan 8.280 nan 0.000 0.569 466 T N -2.360 112.335 114.554 0.235 0.000 2.813 466 T HA 0.047 4.421 4.350 0.040 0.000 0.297 466 T C 1.144 175.920 174.700 0.128 0.000 1.036 466 T CA -0.299 61.889 62.100 0.146 0.000 1.044 466 T CB 0.847 69.796 68.868 0.135 0.000 0.993 466 T HN 0.729 nan 8.240 nan 0.000 0.535 467 T N 1.280 115.881 114.554 0.078 0.000 2.720 467 T HA -0.104 4.270 4.350 0.040 0.000 0.268 467 T C 1.807 176.539 174.700 0.053 0.000 1.037 467 T CA 1.766 63.898 62.100 0.053 0.000 1.144 467 T CB -0.461 68.427 68.868 0.033 0.000 0.864 467 T HN 0.756 nan 8.240 nan 0.000 0.444 468 E N 1.258 121.490 120.200 0.053 0.000 2.097 468 E HA -0.157 4.217 4.350 0.040 0.000 0.196 468 E C 2.243 178.878 176.600 0.058 0.000 1.000 468 E CA 1.299 57.718 56.400 0.031 0.000 0.804 468 E CB -0.214 29.489 29.700 0.006 0.000 0.740 468 E HN 0.617 nan 8.360 nan 0.000 0.454 469 E N -0.020 120.256 120.200 0.127 0.000 2.106 469 E HA -0.140 4.234 4.350 0.040 0.000 0.192 469 E C 2.120 178.807 176.600 0.146 0.000 0.984 469 E CA 0.454 56.997 56.400 0.238 0.000 0.806 469 E CB -0.048 29.919 29.700 0.444 0.000 0.750 469 E HN 0.049 nan 8.360 nan 0.000 0.458 470 R N 1.201 121.732 120.500 0.050 0.000 2.091 470 R HA -0.169 4.195 4.340 0.040 0.000 0.238 470 R C 2.150 178.440 176.300 -0.017 0.000 1.136 470 R CA 1.345 57.425 56.100 -0.035 0.000 0.959 470 R CB -0.372 29.912 30.300 -0.026 0.000 0.856 470 R HN 0.222 nan 8.270 nan 0.000 0.437 471 I N 0.055 120.640 120.570 0.025 0.000 2.252 471 I HA -0.262 3.932 4.170 0.040 0.000 0.245 471 I C 2.332 178.488 176.117 0.065 0.000 1.102 471 I CA 0.936 62.251 61.300 0.025 0.000 1.385 471 I CB -0.488 37.529 38.000 0.027 0.000 1.064 471 I HN 0.073 nan 8.210 nan 0.000 0.414 472 F N 2.247 122.148 119.950 -0.083 0.000 2.075 472 F HA -0.218 4.334 4.527 0.041 0.000 0.297 472 F C 2.495 178.266 175.800 -0.049 0.000 1.113 472 F CA 1.324 59.262 58.000 -0.103 0.000 1.218 472 F CB -0.701 38.173 39.000 -0.211 0.000 0.984 472 F HN 0.015 nan 8.300 nan 0.000 0.472 473 A N -0.082 122.673 122.820 -0.108 0.000 1.972 473 A HA -0.221 4.123 4.320 0.040 0.000 0.219 473 A C 2.162 179.603 177.584 -0.238 0.000 1.169 473 A CA 1.692 53.593 52.037 -0.227 0.000 0.635 473 A CB -0.824 18.054 19.000 -0.204 0.000 0.810 473 A HN 0.624 nan 8.150 nan 0.000 0.446 474 Q N -0.931 118.770 119.800 -0.165 0.000 2.124 474 Q HA -0.152 4.212 4.340 0.040 0.000 0.202 474 Q C 2.361 178.248 176.000 -0.189 0.000 0.977 474 Q CA 1.378 57.092 55.803 -0.147 0.000 0.850 474 Q CB -0.145 28.536 28.738 -0.095 0.000 0.901 474 Q HN 0.634 nan 8.270 nan 0.000 0.429 475 R N 0.258 120.629 120.500 -0.216 0.000 2.075 475 R HA -0.087 4.277 4.340 0.040 0.000 0.232 475 R C 2.307 178.309 176.300 -0.498 0.000 1.126 475 R CA 0.998 56.884 56.100 -0.357 0.000 0.963 475 R CB -0.157 30.003 30.300 -0.234 0.000 0.858 475 R HN 0.215 nan 8.270 nan 0.000 0.435 476 L N -0.073 120.944 121.223 -0.343 0.000 2.056 476 L HA -0.178 4.186 4.340 0.040 0.000 0.207 476 L C 2.498 179.295 176.870 -0.122 0.000 1.078 476 L CA 1.304 56.033 54.840 -0.184 0.000 0.749 476 L CB -0.343 41.459 42.059 -0.428 0.000 0.901 476 L HN 0.223 nan 8.230 nan 0.000 0.433 477 M N -0.677 118.796 119.600 -0.212 0.000 2.106 477 M HA -0.224 4.280 4.480 0.040 0.000 0.259 477 M C 2.348 178.630 176.300 -0.029 0.000 1.068 477 M CA 1.629 56.843 55.300 -0.143 0.000 1.100 477 M CB -0.344 32.162 32.600 -0.156 0.000 1.351 477 M HN 0.054 nan 8.290 nan 0.000 0.404 478 K N -0.223 120.125 120.400 -0.087 0.000 2.063 478 K HA -0.156 4.188 4.320 0.040 0.000 0.208 478 K C 1.876 178.527 176.600 0.085 0.000 1.048 478 K CA 1.741 57.993 56.287 -0.059 0.000 0.928 478 K CB -0.448 31.952 32.500 -0.167 0.000 0.713 478 K HN 0.353 nan 8.250 nan 0.000 0.442 479 Y N -0.411 120.025 120.300 0.226 0.000 2.114 479 Y HA -0.203 4.371 4.550 0.039 0.000 0.284 479 Y C 2.482 178.556 175.900 0.290 0.000 1.143 479 Y CA 0.737 59.021 58.100 0.307 0.000 1.135 479 Y CB -0.881 37.912 38.460 0.555 0.000 0.980 479 Y HN 0.204 nan 8.280 nan 0.000 0.499 480 W N 0.525 121.911 121.300 0.144 0.000 2.358 480 W HA -0.217 4.466 4.660 0.039 0.000 0.303 480 W C 2.380 178.915 176.519 0.027 0.000 1.208 480 W CA 2.032 59.408 57.345 0.051 0.000 1.274 480 W CB -0.543 28.868 29.460 -0.083 0.000 1.138 480 W HN 0.236 nan 8.180 nan 0.000 0.515 481 T N -2.708 111.963 114.554 0.195 0.000 3.014 481 T HA -0.086 4.288 4.350 0.040 0.000 0.263 481 T C 1.411 176.138 174.700 0.044 0.000 1.078 481 T CA 0.924 63.062 62.100 0.063 0.000 1.135 481 T CB -0.518 68.361 68.868 0.018 0.000 0.895 481 T HN -0.104 nan 8.240 nan 0.000 0.480 482 N N 1.055 119.804 118.700 0.081 0.000 2.120 482 N HA -0.006 4.758 4.740 0.040 0.000 0.188 482 N C 1.334 176.854 175.510 0.017 0.000 1.024 482 N CA 0.972 54.051 53.050 0.049 0.000 0.852 482 N CB -0.701 37.838 38.487 0.087 0.000 1.003 482 N HN 0.445 nan 8.380 nan 0.000 0.424 483 F N 1.596 121.477 119.950 -0.115 0.000 2.126 483 F HA -0.105 4.446 4.527 0.041 0.000 0.299 483 F C 2.144 177.871 175.800 -0.122 0.000 1.096 483 F CA 1.394 59.276 58.000 -0.198 0.000 1.255 483 F CB -0.576 38.224 39.000 -0.333 0.000 0.997 483 F HN 0.042 nan 8.300 nan 0.000 0.479 484 A N 0.499 123.212 122.820 -0.178 0.000 1.877 484 A HA -0.190 4.154 4.320 0.040 0.000 0.216 484 A C 2.372 179.828 177.584 -0.214 0.000 1.186 484 A CA 1.751 53.651 52.037 -0.228 0.000 0.620 484 A CB -0.764 18.183 19.000 -0.088 0.000 0.822 484 A HN 0.445 nan 8.150 nan 0.000 0.443 485 R N -1.119 119.299 120.500 -0.136 0.000 2.120 485 R HA -0.083 4.281 4.340 0.040 0.000 0.234 485 R C 1.462 177.684 176.300 -0.131 0.000 1.123 485 R CA 1.806 57.843 56.100 -0.105 0.000 0.975 485 R CB -0.119 30.147 30.300 -0.056 0.000 0.866 485 R HN 0.740 nan 8.270 nan 0.000 0.446 486 T N -6.203 108.249 114.554 -0.170 0.000 3.080 486 T HA 0.247 4.621 4.350 0.040 0.000 0.280 486 T C 1.055 175.652 174.700 -0.172 0.000 0.926 486 T CA 0.203 62.221 62.100 -0.136 0.000 0.883 486 T CB 1.403 70.227 68.868 -0.072 0.000 1.194 486 T HN 0.283 nan 8.240 nan 0.000 0.541 487 G N 1.446 110.029 108.800 -0.360 0.000 2.162 487 G HA2 -0.181 3.803 3.960 0.040 0.000 0.260 487 G HA3 -0.181 3.803 3.960 0.040 0.000 0.260 487 G C -0.376 174.530 174.900 0.011 0.000 0.976 487 G CA 0.251 45.123 45.100 -0.381 0.000 0.655 487 G HN 0.760 nan 8.290 nan 0.000 0.533 488 D N -0.593 119.782 120.400 -0.043 0.000 2.855 488 D HA 0.443 5.107 4.640 0.040 0.000 0.241 488 D C -1.688 174.478 176.300 -0.222 0.000 1.277 488 D CA -1.547 52.346 54.000 -0.177 0.000 0.918 488 D CB 2.215 42.992 40.800 -0.038 0.000 1.462 488 D HN 0.002 nan 8.370 nan 0.000 0.559 489 P HA 0.005 nan 4.420 nan 0.000 0.241 489 P C 0.013 177.342 177.300 0.049 0.000 1.191 489 P CA 0.011 62.965 63.100 -0.243 0.000 0.771 489 P CB 0.422 31.705 31.700 -0.695 0.000 0.929 490 N N 1.542 120.234 118.700 -0.014 0.000 2.530 490 N HA 0.024 4.788 4.740 0.040 0.000 0.273 490 N C -0.212 175.372 175.510 0.123 0.000 1.173 490 N CA 0.174 53.308 53.050 0.140 0.000 0.967 490 N CB 0.348 38.904 38.487 0.116 0.000 1.109 490 N HN -0.036 nan 8.380 nan 0.000 0.453 491 D N 1.736 122.226 120.400 0.150 0.000 2.349 491 D HA 0.062 4.726 4.640 0.040 0.000 0.266 491 D C -1.372 174.971 176.300 0.072 0.000 1.293 491 D CA -1.208 52.849 54.000 0.094 0.000 0.926 491 D CB 0.763 41.614 40.800 0.084 0.000 1.090 491 D HN 0.303 nan 8.370 nan 0.000 0.502 492 P HA 0.036 nan 4.420 nan 0.000 0.253 492 P C 0.476 177.798 177.300 0.036 0.000 1.260 492 P CA 0.432 63.558 63.100 0.042 0.000 0.800 492 P CB 0.404 32.121 31.700 0.028 0.000 1.162 493 R N -0.699 119.823 120.500 0.037 0.000 2.556 493 R HA 0.184 4.548 4.340 0.040 0.000 0.276 493 R C 0.239 176.560 176.300 0.034 0.000 0.931 493 R CA 0.124 56.242 56.100 0.031 0.000 1.061 493 R CB -0.962 29.352 30.300 0.024 0.000 1.432 493 R HN 0.202 nan 8.270 nan 0.000 0.547 494 D N -0.182 120.243 120.400 0.042 0.000 2.264 494 D HA 0.306 4.970 4.640 0.040 0.000 0.250 494 D C 0.917 177.249 176.300 0.054 0.000 1.113 494 D CA 0.538 54.565 54.000 0.045 0.000 0.871 494 D CB 1.820 42.649 40.800 0.048 0.000 1.167 494 D HN 0.196 nan 8.370 nan 0.000 0.447 495 S N 3.409 119.138 115.700 0.048 0.000 2.184 495 S HA 0.020 4.514 4.470 0.040 0.000 0.159 495 S C 0.183 174.818 174.600 0.058 0.000 1.364 495 S CA -0.266 57.964 58.200 0.050 0.000 2.236 495 S CB -0.170 63.055 63.200 0.040 0.000 0.365 495 S HN 0.587 nan 8.310 nan 0.000 0.359 496 K N 1.041 121.471 120.400 0.051 0.000 2.510 496 K HA -0.066 4.278 4.320 0.040 0.000 0.272 496 K C 0.053 176.692 176.600 0.064 0.000 1.025 496 K CA 1.101 57.420 56.287 0.053 0.000 1.134 496 K CB -0.137 32.388 32.500 0.041 0.000 0.827 496 K HN 0.559 nan 8.250 nan 0.000 0.485 497 S N 4.149 119.893 115.700 0.074 0.000 3.829 497 S HA 0.254 4.748 4.470 0.040 0.000 0.201 497 S C -2.135 172.518 174.600 0.089 0.000 1.005 497 S CA -0.412 57.846 58.200 0.097 0.000 0.935 497 S CB -0.574 62.704 63.200 0.131 0.000 1.181 497 S HN 0.698 nan 8.310 nan 0.000 0.622 498 P HA 0.370 nan 4.420 nan 0.000 0.275 498 P C -0.907 176.462 177.300 0.115 0.000 1.266 498 P CA -0.273 62.875 63.100 0.080 0.000 0.793 498 P CB 0.319 32.051 31.700 0.054 0.000 1.074 499 Q N -0.417 119.461 119.800 0.130 0.000 2.327 499 Q HA 0.091 4.455 4.340 0.040 0.000 0.254 499 Q C -0.484 175.666 176.000 0.250 0.000 0.952 499 Q CA 0.010 55.926 55.803 0.188 0.000 0.884 499 Q CB 0.636 29.476 28.738 0.170 0.000 1.224 499 Q HN 0.541 nan 8.270 nan 0.000 0.422 500 W N 6.376 127.722 121.300 0.078 0.000 2.546 500 W HA 0.213 4.898 4.660 0.042 0.000 0.323 500 W C -2.421 174.230 176.519 0.220 0.000 1.272 500 W CA -2.232 55.169 57.345 0.093 0.000 1.404 500 W CB 0.027 29.479 29.460 -0.013 0.000 1.411 500 W HN 0.389 nan 8.180 nan 0.000 0.480 501 P HA 0.335 nan 4.420 nan 0.000 0.284 501 P C -2.617 174.893 177.300 0.351 0.000 1.258 501 P CA -1.871 61.460 63.100 0.386 0.000 0.824 501 P CB 0.767 32.603 31.700 0.227 0.000 1.038 502 P HA 0.122 nan 4.420 nan 0.000 0.272 502 P C -0.774 176.509 177.300 -0.028 0.000 1.223 502 P CA -0.087 62.814 63.100 -0.331 0.000 0.784 502 P CB 0.149 31.594 31.700 -0.426 0.000 0.923 503 Y N 2.080 122.309 120.300 -0.120 0.000 2.402 503 Y HA 0.326 4.899 4.550 0.039 0.000 0.333 503 Y C 0.395 176.279 175.900 -0.028 0.000 1.076 503 Y CA 0.668 58.772 58.100 0.006 0.000 1.299 503 Y CB 0.230 38.712 38.460 0.038 0.000 1.197 503 Y HN 0.367 nan 8.280 nan 0.000 0.517 504 T N 0.167 114.470 114.554 -0.420 0.000 2.916 504 T HA 0.237 4.611 4.350 0.040 0.000 0.292 504 T C 0.896 175.326 174.700 -0.449 0.000 1.055 504 T CA -0.202 61.728 62.100 -0.284 0.000 1.009 504 T CB 1.375 70.151 68.868 -0.153 0.000 1.118 504 T HN 0.652 nan 8.240 nan 0.000 0.497 505 T N -0.688 113.745 114.554 -0.202 0.000 2.904 505 T HA 0.042 4.416 4.350 0.040 0.000 0.267 505 T C 2.225 176.856 174.700 -0.116 0.000 1.059 505 T CA 0.908 62.927 62.100 -0.135 0.000 1.137 505 T CB -0.779 68.083 68.868 -0.009 0.000 0.879 505 T HN 0.853 nan 8.240 nan 0.000 0.467 506 A N 2.162 124.924 122.820 -0.096 0.000 1.835 506 A HA 0.359 4.703 4.320 0.040 0.000 0.215 506 A C 2.800 180.338 177.584 -0.077 0.000 1.199 506 A CA 1.994 53.993 52.037 -0.062 0.000 0.615 506 A CB -1.449 17.525 19.000 -0.043 0.000 0.838 506 A HN 0.770 nan 8.150 nan 0.000 0.444 507 A N -2.307 120.449 122.820 -0.107 0.000 2.021 507 A HA 0.171 4.515 4.320 0.040 0.000 0.216 507 A C 1.052 178.574 177.584 -0.103 0.000 1.163 507 A CA 1.064 53.053 52.037 -0.081 0.000 0.676 507 A CB -0.358 18.608 19.000 -0.057 0.000 0.818 507 A HN 0.640 nan 8.150 nan 0.000 0.453 508 Q N -0.471 119.158 119.800 -0.285 0.000 2.468 508 Q HA -0.209 4.155 4.340 0.040 0.000 0.289 508 Q C -0.801 175.227 176.000 0.048 0.000 1.299 508 Q CA 0.667 56.245 55.803 -0.375 0.000 0.838 508 Q CB -1.916 26.792 28.738 -0.050 0.000 1.195 508 Q HN 0.846 nan 8.270 nan 0.000 0.456 509 Q N 0.479 120.301 119.800 0.038 0.000 2.314 509 Q HA 0.449 4.813 4.340 0.040 0.000 0.258 509 Q C -0.288 176.002 176.000 0.483 0.000 0.954 509 Q CA 0.132 56.057 55.803 0.204 0.000 0.890 509 Q CB 0.498 29.302 28.738 0.110 0.000 1.210 509 Q HN 0.352 nan 8.270 nan 0.000 0.410 510 Y N -1.391 119.061 120.300 0.253 0.000 2.677 510 Y HA 0.751 5.324 4.550 0.038 0.000 0.334 510 Y C -1.026 174.907 175.900 0.055 0.000 1.154 510 Y CA -1.487 56.766 58.100 0.255 0.000 1.070 510 Y CB 0.563 39.166 38.460 0.240 0.000 1.294 510 Y HN 0.340 nan 8.280 nan 0.000 0.475 511 V N -0.711 119.156 119.914 -0.078 0.000 3.001 511 V HA 0.842 4.986 4.120 0.040 0.000 0.314 511 V C -0.325 175.697 176.094 -0.120 0.000 1.099 511 V CA -0.562 61.532 62.300 -0.345 0.000 0.989 511 V CB 1.331 32.705 31.823 -0.747 0.000 1.040 511 V HN 1.267 nan 8.190 nan 0.000 0.434 512 S N 3.311 118.932 115.700 -0.131 0.000 2.475 512 S HA 0.680 5.174 4.470 0.040 0.000 0.281 512 S C -0.468 174.096 174.600 -0.059 0.000 1.198 512 S CA -0.639 57.553 58.200 -0.013 0.000 1.063 512 S CB 0.511 63.699 63.200 -0.020 0.000 0.972 512 S HN 0.782 nan 8.310 nan 0.000 0.486 513 L N 4.526 125.760 121.223 0.018 0.000 2.259 513 L HA 0.477 4.840 4.340 0.040 0.000 0.288 513 L C -0.127 176.653 176.870 -0.151 0.000 1.051 513 L CA -0.451 54.421 54.840 0.054 0.000 0.824 513 L CB -0.205 41.976 42.059 0.203 0.000 1.206 513 L HN 0.893 nan 8.230 nan 0.000 0.429 514 N N 2.166 120.702 118.700 -0.272 0.000 3.418 514 N HA 0.387 5.151 4.740 0.040 0.000 0.316 514 N C 0.352 175.280 175.510 -0.971 0.000 1.601 514 N CA -0.981 51.644 53.050 -0.708 0.000 0.805 514 N CB 0.670 38.930 38.487 -0.377 0.000 1.873 514 N HN 0.157 nan 8.380 nan 0.000 0.615 515 L N -0.626 120.095 121.223 -0.836 0.000 2.083 515 L HA 0.022 4.386 4.340 0.040 0.000 0.209 515 L C 0.657 177.353 176.870 -0.291 0.000 1.083 515 L CA 1.124 55.599 54.840 -0.610 0.000 0.752 515 L CB -0.476 41.352 42.059 -0.384 0.000 0.899 515 L HN 0.408 nan 8.230 nan 0.000 0.433 516 K N 0.384 120.656 120.400 -0.214 0.000 2.276 516 K HA 0.164 4.508 4.320 0.040 0.000 0.259 516 K C -2.147 174.409 176.600 -0.074 0.000 1.001 516 K CA -1.703 54.516 56.287 -0.114 0.000 0.927 516 K CB -0.236 32.209 32.500 -0.092 0.000 0.969 516 K HN -0.140 nan 8.250 nan 0.000 0.490 517 P HA 0.000 nan 4.420 nan 0.000 0.270 517 P C -0.069 177.232 177.300 0.001 0.000 1.223 517 P CA -0.257 62.852 63.100 0.014 0.000 0.785 517 P CB 0.402 32.113 31.700 0.018 0.000 0.923 518 L N 1.330 122.570 121.223 0.029 0.000 2.605 518 L HA -0.107 4.257 4.340 0.040 0.000 0.296 518 L C 1.018 177.850 176.870 -0.064 0.000 1.255 518 L CA 1.226 56.041 54.840 -0.041 0.000 0.879 518 L CB -0.159 41.873 42.059 -0.045 0.000 1.124 518 L HN 0.555 nan 8.230 nan 0.000 0.507 519 E N 2.633 122.766 120.200 -0.112 0.000 2.256 519 E HA 0.406 4.780 4.350 0.040 0.000 0.268 519 E C -1.547 174.954 176.600 -0.165 0.000 0.877 519 E CA -0.739 55.597 56.400 -0.106 0.000 0.757 519 E CB 2.145 31.792 29.700 -0.089 0.000 1.183 519 E HN 0.293 nan 8.360 nan 0.000 0.418 520 V N 4.950 124.780 119.914 -0.140 0.000 2.407 520 V HA 0.464 4.608 4.120 0.040 0.000 0.278 520 V C 0.251 176.212 176.094 -0.223 0.000 1.037 520 V CA -0.339 61.857 62.300 -0.174 0.000 0.900 520 V CB 1.090 32.869 31.823 -0.074 0.000 0.983 520 V HN 0.666 nan 8.190 nan 0.000 0.459 521 R N 3.844 124.090 120.500 -0.424 0.000 2.919 521 R HA 0.767 5.131 4.340 0.040 0.000 0.260 521 R C -0.842 175.272 176.300 -0.311 0.000 1.067 521 R CA -1.066 54.777 56.100 -0.429 0.000 1.003 521 R CB 2.397 32.321 30.300 -0.627 0.000 1.192 521 R HN 0.575 nan 8.270 nan 0.000 0.488 522 R N -0.191 120.290 120.500 -0.032 0.000 2.621 522 R HA 0.473 4.837 4.340 0.040 0.000 0.292 522 R C -0.833 175.646 176.300 0.297 0.000 0.969 522 R CA -0.454 55.731 56.100 0.142 0.000 0.887 522 R CB 2.241 32.582 30.300 0.068 0.000 1.180 522 R HN 0.896 nan 8.270 nan 0.000 0.450 523 G N 2.527 111.545 108.800 0.365 0.000 3.277 523 G HA2 -0.189 3.795 3.960 0.040 0.000 0.684 523 G HA3 -0.189 3.795 3.960 0.040 0.000 0.684 523 G C -0.691 174.409 174.900 0.333 0.000 0.923 523 G CA -0.692 44.592 45.100 0.305 0.000 0.779 523 G HN 0.495 nan 8.290 nan 0.000 0.508 524 L N 4.689 125.990 121.223 0.129 0.000 2.637 524 L HA 0.774 5.138 4.340 0.040 0.000 0.241 524 L C 0.311 177.173 176.870 -0.014 0.000 1.398 524 L CA -0.449 54.286 54.840 -0.175 0.000 0.895 524 L CB 0.037 41.724 42.059 -0.619 0.000 1.183 524 L HN 1.066 nan 8.230 nan 0.000 0.497 525 R N 1.583 122.135 120.500 0.088 0.000 2.660 525 R HA 0.211 4.575 4.340 0.040 0.000 0.249 525 R C -0.621 175.771 176.300 0.153 0.000 1.018 525 R CA 0.534 56.706 56.100 0.120 0.000 0.824 525 R CB -0.191 30.172 30.300 0.106 0.000 1.444 525 R HN 0.302 nan 8.270 nan 0.000 0.327 526 A N 2.246 125.156 122.820 0.151 0.000 1.874 526 A HA -0.080 4.264 4.320 0.040 0.000 0.214 526 A C 1.640 179.314 177.584 0.151 0.000 1.189 526 A CA 0.749 52.873 52.037 0.147 0.000 0.615 526 A CB -0.134 18.946 19.000 0.133 0.000 0.830 526 A HN 0.696 nan 8.150 nan 0.000 0.443 527 Q N -0.105 119.781 119.800 0.143 0.000 2.077 527 Q HA -0.158 4.206 4.340 0.040 0.000 0.206 527 Q C 2.175 178.294 176.000 0.198 0.000 0.989 527 Q CA 2.250 58.141 55.803 0.148 0.000 0.853 527 Q CB -1.258 27.556 28.738 0.127 0.000 0.907 527 Q HN 0.636 nan 8.270 nan 0.000 0.418 528 T N 0.574 115.269 114.554 0.235 0.000 2.777 528 T HA -0.110 4.264 4.350 0.040 0.000 0.266 528 T C 2.098 177.025 174.700 0.379 0.000 1.040 528 T CA 1.241 63.520 62.100 0.298 0.000 1.141 528 T CB -0.301 68.785 68.868 0.365 0.000 0.868 528 T HN 0.330 nan 8.240 nan 0.000 0.444 529 c N 1.615 120.418 118.600 0.337 0.000 2.440 529 c HA 0.180 4.774 4.570 0.040 0.000 0.278 529 c C 3.174 177.421 174.090 0.263 0.000 1.295 529 c CA 0.083 56.618 56.329 0.344 0.000 1.738 529 c CB -1.416 41.228 42.510 0.224 0.000 1.987 529 c HN 0.648 nan 8.230 nan 0.000 0.492 530 A N 0.538 123.475 122.820 0.193 0.000 1.903 530 A HA -0.286 4.058 4.320 0.040 0.000 0.219 530 A C 1.906 179.567 177.584 0.128 0.000 1.191 530 A CA 2.156 54.279 52.037 0.143 0.000 0.638 530 A CB -0.985 18.086 19.000 0.117 0.000 0.823 530 A HN 0.566 nan 8.150 nan 0.000 0.451 531 F N -0.921 118.997 119.950 -0.053 0.000 2.043 531 F HA -0.236 4.317 4.527 0.043 0.000 0.297 531 F C 2.034 177.755 175.800 -0.132 0.000 1.121 531 F CA 2.135 60.004 58.000 -0.220 0.000 1.199 531 F CB -0.607 37.973 39.000 -0.700 0.000 0.968 531 F HN 0.399 nan 8.300 nan 0.000 0.478 532 W N 0.365 121.679 121.300 0.023 0.000 2.381 532 W HA -0.127 4.556 4.660 0.038 0.000 0.301 532 W C 2.161 178.640 176.519 -0.066 0.000 1.205 532 W CA 1.023 58.348 57.345 -0.033 0.000 1.285 532 W CB -0.519 29.037 29.460 0.159 0.000 1.133 532 W HN -0.027 nan 8.180 nan 0.000 0.521 533 N N -0.736 118.084 118.700 0.200 0.000 2.405 533 N HA 0.052 4.816 4.740 0.040 0.000 0.175 533 N C 1.450 176.989 175.510 0.048 0.000 1.051 533 N CA 0.783 53.903 53.050 0.116 0.000 0.899 533 N CB -0.046 38.509 38.487 0.114 0.000 1.000 533 N HN 0.212 nan 8.380 nan 0.000 0.451 534 R N -1.783 118.737 120.500 0.033 0.000 2.383 534 R HA 0.238 4.601 4.340 0.040 0.000 0.205 534 R C 1.019 177.330 176.300 0.019 0.000 0.875 534 R CA -0.042 56.076 56.100 0.030 0.000 1.039 534 R CB 0.218 30.557 30.300 0.064 0.000 1.267 534 R HN 0.035 nan 8.270 nan 0.000 0.635 535 F N 1.091 120.911 119.950 -0.217 0.000 2.289 535 F HA 0.139 4.690 4.527 0.041 0.000 0.280 535 F C 1.857 177.453 175.800 -0.340 0.000 1.045 535 F CA 0.668 58.503 58.000 -0.275 0.000 1.236 535 F CB -0.372 38.432 39.000 -0.326 0.000 1.116 535 F HN -0.194 nan 8.300 nan 0.000 0.550 536 L N 0.940 121.781 121.223 -0.637 0.000 2.034 536 L HA -0.224 4.140 4.340 0.040 0.000 0.217 536 L C -0.526 176.102 176.870 -0.405 0.000 1.077 536 L CA 2.291 56.754 54.840 -0.629 0.000 0.769 536 L CB -2.027 39.692 42.059 -0.568 0.000 0.890 536 L HN 0.156 nan 8.230 nan 0.000 0.435 537 P HA -0.176 nan 4.420 nan 0.000 0.218 537 P C 1.232 178.405 177.300 -0.211 0.000 1.148 537 P CA 1.357 64.355 63.100 -0.170 0.000 0.822 537 P CB -0.048 31.592 31.700 -0.100 0.000 0.784 538 K N -1.219 119.005 120.400 -0.295 0.000 2.362 538 K HA -0.033 4.311 4.320 0.040 0.000 0.200 538 K C 1.413 177.816 176.600 -0.327 0.000 1.046 538 K CA 0.687 56.805 56.287 -0.281 0.000 0.952 538 K CB -0.418 31.919 32.500 -0.272 0.000 0.753 538 K HN 0.132 nan 8.250 nan 0.000 0.466 539 L N 0.621 121.585 121.223 -0.431 0.000 2.567 539 L HA 0.035 4.399 4.340 0.040 0.000 0.225 539 L C 1.536 178.284 176.870 -0.204 0.000 1.119 539 L CA 0.605 55.236 54.840 -0.348 0.000 0.871 539 L CB -0.101 41.690 42.059 -0.447 0.000 1.036 539 L HN 0.069 nan 8.230 nan 0.000 0.459 540 L N -1.514 119.604 121.223 -0.176 0.000 2.121 540 L HA 0.178 4.542 4.340 0.040 0.000 0.200 540 L C 1.681 178.493 176.870 -0.096 0.000 1.132 540 L CA 1.211 55.984 54.840 -0.112 0.000 0.782 540 L CB -0.777 41.229 42.059 -0.088 0.000 0.940 540 L HN 0.302 nan 8.230 nan 0.000 0.458 541 S N 0.000 115.644 115.700 -0.094 0.000 2.498 541 S HA 0.000 4.494 4.470 0.040 0.000 0.327 541 S CA 0.000 58.154 58.200 -0.077 0.000 1.107 541 S CB 0.000 63.160 63.200 -0.066 0.000 0.593 541 S HN 0.000 nan 8.310 nan 0.000 0.517