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 2xug_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 LVGcPPXXXX 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 RFLPKLLSAT A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.626 176.600 0.044 0.000 1.382 4 E CA 0.000 56.420 56.400 0.033 0.000 0.976 4 E CB 0.000 29.720 29.700 0.034 0.000 0.812 5 D N 6.059 126.494 120.400 0.058 0.000 2.339 5 D HA 0.220 4.886 4.640 0.042 0.000 0.241 5 D C -1.488 174.860 176.300 0.080 0.000 1.183 5 D CA -2.261 51.788 54.000 0.082 0.000 0.859 5 D CB 1.494 42.367 40.800 0.121 0.000 1.067 5 D HN 0.249 nan 8.370 nan 0.000 0.484 6 P HA -0.171 nan 4.420 nan 0.000 0.219 6 P C 1.093 178.419 177.300 0.043 0.000 1.146 6 P CA 0.844 63.968 63.100 0.039 0.000 0.808 6 P CB 0.478 32.187 31.700 0.015 0.000 0.779 7 Q N -0.634 119.184 119.800 0.030 0.000 2.291 7 Q HA 0.006 4.372 4.340 0.042 0.000 0.205 7 Q C 1.970 178.072 176.000 0.170 0.000 0.970 7 Q CA 0.899 56.711 55.803 0.015 0.000 0.876 7 Q CB -0.362 28.255 28.738 -0.202 0.000 0.935 7 Q HN 0.420 nan 8.270 nan 0.000 0.455 8 L N -0.172 121.164 121.223 0.188 0.000 2.667 8 L HA 0.226 4.591 4.340 0.042 0.000 0.232 8 L C 0.307 177.365 176.870 0.312 0.000 1.138 8 L CA -0.122 54.863 54.840 0.241 0.000 0.921 8 L CB 0.389 42.514 42.059 0.110 0.000 1.180 8 L HN -0.016 nan 8.230 nan 0.000 0.487 9 L N 0.809 122.160 121.223 0.213 0.000 2.287 9 L HA 0.510 4.875 4.340 0.042 0.000 0.287 9 L C -0.864 176.049 176.870 0.072 0.000 1.022 9 L CA -0.439 54.495 54.840 0.156 0.000 0.814 9 L CB 2.037 44.148 42.059 0.088 0.000 1.217 9 L HN -0.212 nan 8.230 nan 0.000 0.420 10 V N 3.783 123.705 119.914 0.015 0.000 2.735 10 V HA 0.473 4.618 4.120 0.042 0.000 0.310 10 V C -0.335 175.681 176.094 -0.130 0.000 1.061 10 V CA -0.827 61.347 62.300 -0.211 0.000 0.913 10 V CB 2.277 33.705 31.823 -0.659 0.000 1.005 10 V HN 0.693 nan 8.190 nan 0.000 0.428 11 R N 3.219 123.618 120.500 -0.168 0.000 2.229 11 R HA 0.724 5.089 4.340 0.042 0.000 0.332 11 R C -0.695 175.509 176.300 -0.160 0.000 0.989 11 R CA -0.331 55.703 56.100 -0.110 0.000 0.842 11 R CB 1.431 31.674 30.300 -0.094 0.000 1.119 11 R HN 0.723 nan 8.270 nan 0.000 0.456 12 V N 1.914 121.782 119.914 -0.077 0.000 3.193 12 V HA 0.457 4.603 4.120 0.042 0.000 0.320 12 V C 1.269 177.285 176.094 -0.129 0.000 1.112 12 V CA -0.964 61.289 62.300 -0.078 0.000 1.026 12 V CB 1.804 33.721 31.823 0.157 0.000 1.128 12 V HN 0.781 nan 8.190 nan 0.000 0.452 13 R N 1.605 122.014 120.500 -0.151 0.000 2.133 13 R HA -0.124 4.241 4.340 0.042 0.000 0.247 13 R C 1.968 178.127 176.300 -0.235 0.000 1.151 13 R CA 1.896 57.899 56.100 -0.162 0.000 0.971 13 R CB -1.054 29.167 30.300 -0.131 0.000 0.866 13 R HN 1.007 nan 8.270 nan 0.000 0.447 14 G N -0.573 108.033 108.800 -0.323 0.000 2.985 14 G HA2 0.305 4.290 3.960 0.042 0.000 0.209 14 G HA3 0.305 4.290 3.960 0.042 0.000 0.209 14 G C 0.459 174.472 174.900 -1.478 0.000 1.165 14 G CA 0.587 45.250 45.100 -0.729 0.000 0.776 14 G HN 0.648 nan 8.290 nan 0.000 0.541 15 G N -1.067 107.148 108.800 -0.976 0.000 2.325 15 G HA2 0.098 4.083 3.960 0.042 0.000 0.285 15 G HA3 0.098 4.083 3.960 0.042 0.000 0.285 15 G C -1.092 173.767 174.900 -0.069 0.000 1.303 15 G CA -0.953 43.685 45.100 -0.769 0.000 0.970 15 G HN 0.282 nan 8.290 nan 0.000 0.490 16 Q N -0.667 119.267 119.800 0.224 0.000 2.227 16 Q HA 0.749 5.115 4.340 0.042 0.000 0.245 16 Q C -0.532 175.753 176.000 0.475 0.000 0.926 16 Q CA -0.358 55.624 55.803 0.298 0.000 0.895 16 Q CB 1.889 30.731 28.738 0.173 0.000 1.230 16 Q HN 0.473 nan 8.270 nan 0.000 0.450 17 L N 0.943 122.354 121.223 0.313 0.000 2.422 17 L HA 0.581 4.946 4.340 0.042 0.000 0.264 17 L C -0.610 176.425 176.870 0.276 0.000 0.984 17 L CA -0.712 54.306 54.840 0.297 0.000 0.819 17 L CB 2.407 44.674 42.059 0.347 0.000 1.330 17 L HN 0.418 nan 8.230 nan 0.000 0.410 18 R N 0.734 121.376 120.500 0.237 0.000 2.360 18 R HA 0.624 4.990 4.340 0.042 0.000 0.318 18 R C -0.199 176.206 176.300 0.175 0.000 0.950 18 R CA -0.319 55.905 56.100 0.207 0.000 0.837 18 R CB 1.770 32.130 30.300 0.100 0.000 1.165 18 R HN 0.859 nan 8.270 nan 0.000 0.458 19 G N 3.149 112.027 108.800 0.131 0.000 2.532 19 G HA2 0.446 4.431 3.960 0.042 0.000 0.291 19 G HA3 0.446 4.431 3.960 0.042 0.000 0.291 19 G C -0.856 173.868 174.900 -0.294 0.000 1.349 19 G CA -0.615 44.261 45.100 -0.373 0.000 1.038 19 G HN 0.593 nan 8.290 nan 0.000 0.518 20 I N -0.969 119.367 120.570 -0.391 0.000 2.619 20 I HA 0.504 4.699 4.170 0.042 0.000 0.292 20 I C -0.006 175.968 176.117 -0.240 0.000 1.100 20 I CA -1.153 59.999 61.300 -0.245 0.000 1.043 20 I CB 1.984 39.853 38.000 -0.219 0.000 1.239 20 I HN 0.515 nan 8.210 nan 0.000 0.420 21 R N 8.021 128.415 120.500 -0.175 0.000 2.296 21 R HA 0.492 4.857 4.340 0.042 0.000 0.323 21 R C -1.713 174.476 176.300 -0.185 0.000 1.067 21 R CA -0.218 55.757 56.100 -0.208 0.000 0.946 21 R CB 0.461 30.572 30.300 -0.316 0.000 0.991 21 R HN 0.697 nan 8.270 nan 0.000 0.448 22 L N 3.474 124.605 121.223 -0.154 0.000 2.334 22 L HA 0.469 4.834 4.340 0.042 0.000 0.270 22 L C -0.046 176.750 176.870 -0.123 0.000 1.018 22 L CA -1.058 53.712 54.840 -0.116 0.000 0.811 22 L CB 1.774 43.796 42.059 -0.061 0.000 1.271 22 L HN 0.588 nan 8.230 nan 0.000 0.443 23 K N 1.404 121.738 120.400 -0.109 0.000 2.234 23 K HA 0.649 4.995 4.320 0.042 0.000 0.277 23 K C -0.832 175.699 176.600 -0.116 0.000 1.038 23 K CA -0.349 55.877 56.287 -0.102 0.000 0.888 23 K CB 1.468 33.921 32.500 -0.079 0.000 1.091 23 K HN 0.707 nan 8.250 nan 0.000 0.467 24 A N 4.901 127.652 122.820 -0.114 0.000 2.311 24 A HA 0.489 4.834 4.320 0.042 0.000 0.334 24 A C -1.846 175.726 177.584 -0.020 0.000 1.139 24 A CA -1.606 50.356 52.037 -0.125 0.000 0.830 24 A CB 0.628 19.534 19.000 -0.155 0.000 1.234 24 A HN 0.698 nan 8.150 nan 0.000 0.483 25 P HA -0.108 nan 4.420 nan 0.000 0.218 25 P C 1.252 178.575 177.300 0.038 0.000 1.149 25 P CA 1.923 65.059 63.100 0.059 0.000 0.817 25 P CB 0.058 31.820 31.700 0.103 0.000 0.785 26 G N -1.188 107.637 108.800 0.043 0.000 2.777 26 G HA2 0.388 4.373 3.960 0.042 0.000 0.211 26 G HA3 0.388 4.373 3.960 0.042 0.000 0.211 26 G C 0.653 175.566 174.900 0.023 0.000 1.149 26 G CA 0.577 45.697 45.100 0.033 0.000 0.785 26 G HN 0.679 nan 8.290 nan 0.000 0.536 27 G N -0.693 108.112 108.800 0.008 0.000 2.368 27 G HA2 0.327 4.312 3.960 0.042 0.000 0.302 27 G HA3 0.327 4.312 3.960 0.042 0.000 0.302 27 G C -3.297 171.588 174.900 -0.025 0.000 1.329 27 G CA -0.648 44.452 45.100 -0.001 0.000 0.935 27 G HN 0.059 nan 8.290 nan 0.000 0.590 28 P HA 0.486 nan 4.420 nan 0.000 0.272 28 P C -0.011 177.282 177.300 -0.011 0.000 1.230 28 P CA -0.007 63.014 63.100 -0.132 0.000 0.788 28 P CB 1.530 33.006 31.700 -0.374 0.000 0.949 29 V N -1.705 118.199 119.914 -0.016 0.000 3.007 29 V HA 0.631 4.776 4.120 0.042 0.000 0.311 29 V C -0.579 175.583 176.094 0.112 0.000 1.120 29 V CA -0.885 61.486 62.300 0.119 0.000 0.980 29 V CB 1.920 33.815 31.823 0.121 0.000 1.033 29 V HN 0.455 nan 8.190 nan 0.000 0.429 30 S N 2.235 118.057 115.700 0.203 0.000 2.457 30 S HA 0.872 5.367 4.470 0.042 0.000 0.289 30 S C 0.045 174.573 174.600 -0.119 0.000 1.163 30 S CA -0.003 58.229 58.200 0.054 0.000 1.078 30 S CB 1.236 64.558 63.200 0.203 0.000 0.987 30 S HN 1.624 nan 8.310 nan 0.000 0.482 31 A N 2.773 125.332 122.820 -0.436 0.000 2.355 31 A HA 0.819 5.165 4.320 0.042 0.000 0.317 31 A C -1.145 175.933 177.584 -0.844 0.000 1.094 31 A CA -0.683 51.000 52.037 -0.589 0.000 0.764 31 A CB 0.442 19.107 19.000 -0.558 0.000 1.230 31 A HN 0.686 nan 8.150 nan 0.000 0.448 32 F N 2.654 122.415 119.950 -0.315 0.000 2.430 32 F HA 0.506 5.058 4.527 0.042 0.000 0.362 32 F C -0.271 175.326 175.800 -0.339 0.000 1.103 32 F CA -0.343 57.542 58.000 -0.191 0.000 1.045 32 F CB 1.257 40.284 39.000 0.045 0.000 1.276 32 F HN 0.336 nan 8.300 nan 0.000 0.444 33 L N 1.955 123.015 121.223 -0.272 0.000 2.334 33 L HA 0.798 5.163 4.340 0.042 0.000 0.276 33 L C 0.851 177.607 176.870 -0.190 0.000 1.014 33 L CA -1.131 53.492 54.840 -0.362 0.000 0.815 33 L CB 1.771 43.396 42.059 -0.723 0.000 1.268 33 L HN 0.799 nan 8.230 nan 0.000 0.428 34 G N 2.668 111.416 108.800 -0.087 0.000 2.256 34 G HA2 -0.241 3.744 3.960 0.042 0.000 0.272 34 G HA3 -0.241 3.744 3.960 0.042 0.000 0.272 34 G C -0.224 174.697 174.900 0.035 0.000 1.076 34 G CA -0.368 44.681 45.100 -0.084 0.000 0.882 34 G HN 0.471 nan 8.290 nan 0.000 0.497 35 I N 2.116 122.733 120.570 0.078 0.000 2.337 35 I HA 0.238 4.434 4.170 0.042 0.000 0.291 35 I C -1.509 174.654 176.117 0.077 0.000 1.046 35 I CA -2.251 59.072 61.300 0.039 0.000 1.324 35 I CB 1.091 39.045 38.000 -0.076 0.000 1.409 35 I HN -0.032 nan 8.210 nan 0.000 0.494 36 P HA -0.008 nan 4.420 nan 0.000 0.271 36 P C -0.139 177.062 177.300 -0.165 0.000 1.220 36 P CA 0.111 63.046 63.100 -0.274 0.000 0.768 36 P CB 0.388 31.968 31.700 -0.200 0.000 0.848 37 F N 1.342 121.103 119.950 -0.315 0.000 2.706 37 F HA 0.712 5.265 4.527 0.042 0.000 0.313 37 F C 0.097 175.876 175.800 -0.036 0.000 1.096 37 F CA -0.758 57.131 58.000 -0.186 0.000 1.219 37 F CB 0.203 39.005 39.000 -0.330 0.000 1.051 37 F HN 0.330 nan 8.300 nan 0.000 0.568 38 A N 0.118 122.658 122.820 -0.467 0.000 2.587 38 A HA 0.566 4.911 4.320 0.042 0.000 0.293 38 A C -0.859 176.566 177.584 -0.265 0.000 1.087 38 A CA -0.805 51.062 52.037 -0.284 0.000 0.692 38 A CB 0.940 19.716 19.000 -0.373 0.000 1.291 38 A HN 0.066 nan 8.150 nan 0.000 0.407 39 E N 1.376 121.503 120.200 -0.123 0.000 2.415 39 E HA 0.185 4.561 4.350 0.042 0.000 0.263 39 E C -2.280 174.229 176.600 -0.152 0.000 0.995 39 E CA -1.210 55.130 56.400 -0.099 0.000 0.915 39 E CB -0.119 29.560 29.700 -0.035 0.000 0.951 39 E HN 0.229 nan 8.360 nan 0.000 0.449 40 P HA -0.045 nan 4.420 nan 0.000 0.255 40 P C -2.209 175.027 177.300 -0.106 0.000 1.161 40 P CA -0.514 62.503 63.100 -0.139 0.000 0.768 40 P CB -0.115 31.539 31.700 -0.076 0.000 0.746 41 P HA 0.011 nan 4.420 nan 0.000 0.225 41 P C -0.277 176.967 177.300 -0.093 0.000 1.768 41 P CA 0.100 63.148 63.100 -0.088 0.000 0.943 41 P CB -0.175 31.478 31.700 -0.079 0.000 1.936 42 V N -2.759 117.104 119.914 -0.084 0.000 2.975 42 V HA 0.902 5.047 4.120 0.042 0.000 0.318 42 V C 1.033 177.083 176.094 -0.073 0.000 1.077 42 V CA 0.150 62.397 62.300 -0.088 0.000 1.000 42 V CB 0.796 32.573 31.823 -0.077 0.000 1.066 42 V HN 0.544 nan 8.190 nan 0.000 0.452 43 G N 2.500 111.254 108.800 -0.076 0.000 2.574 43 G HA2 -0.365 3.620 3.960 0.042 0.000 0.301 43 G HA3 -0.365 3.620 3.960 0.042 0.000 0.301 43 G C 1.294 176.162 174.900 -0.052 0.000 1.166 43 G CA 1.652 46.720 45.100 -0.054 0.000 0.971 43 G HN 2.364 nan 8.290 nan 0.000 0.542 44 S N 0.661 116.345 115.700 -0.027 0.000 2.561 44 S HA 0.077 4.573 4.470 0.042 0.000 0.225 44 S C 1.898 176.491 174.600 -0.011 0.000 0.977 44 S CA 1.515 59.709 58.200 -0.009 0.000 0.926 44 S CB -0.023 63.180 63.200 0.006 0.000 0.769 44 S HN 0.590 nan 8.310 nan 0.000 0.533 45 R N 1.276 121.755 120.500 -0.034 0.000 2.310 45 R HA 0.271 4.637 4.340 0.042 0.000 0.202 45 R C 0.712 176.969 176.300 -0.072 0.000 0.933 45 R CA -0.097 55.984 56.100 -0.033 0.000 1.054 45 R CB -0.804 29.475 30.300 -0.034 0.000 0.985 45 R HN 0.508 nan 8.270 nan 0.000 0.489 46 R N 0.763 121.171 120.500 -0.154 0.000 2.522 46 R HA -0.081 4.284 4.340 0.042 0.000 0.284 46 R C -0.186 175.907 176.300 -0.345 0.000 1.032 46 R CA 0.385 56.256 56.100 -0.382 0.000 1.049 46 R CB 0.047 29.973 30.300 -0.623 0.000 0.956 46 R HN 0.081 nan 8.270 nan 0.000 0.422 47 F N -0.588 119.380 119.950 0.029 0.000 2.748 47 F HA -0.289 4.264 4.527 0.042 0.000 0.370 47 F C 0.029 175.826 175.800 -0.005 0.000 0.620 47 F CA 0.461 58.456 58.000 -0.009 0.000 1.233 47 F CB -1.430 37.552 39.000 -0.029 0.000 1.708 47 F HN 0.444 nan 8.300 nan 0.000 0.298 48 M N 1.335 121.007 119.600 0.121 0.000 2.342 48 M HA 0.396 4.901 4.480 0.042 0.000 0.332 48 M C -1.916 174.421 176.300 0.063 0.000 1.166 48 M CA -1.919 53.433 55.300 0.087 0.000 1.086 48 M CB 0.256 32.891 32.600 0.059 0.000 1.541 48 M HN -0.342 nan 8.290 nan 0.000 0.462 49 P HA 0.099 nan 4.420 nan 0.000 0.265 49 P C -2.395 174.942 177.300 0.062 0.000 1.187 49 P CA -0.490 62.652 63.100 0.071 0.000 0.766 49 P CB -0.534 31.215 31.700 0.081 0.000 0.820 50 P HA 0.139 nan 4.420 nan 0.000 0.274 50 P C -0.427 176.913 177.300 0.067 0.000 1.231 50 P CA 0.204 63.337 63.100 0.055 0.000 0.790 50 P CB 0.970 32.723 31.700 0.090 0.000 0.951 51 E N 1.954 122.179 120.200 0.042 0.000 2.207 51 E HA 0.380 4.756 4.350 0.042 0.000 0.270 51 E C -2.224 174.417 176.600 0.068 0.000 0.927 51 E CA -2.240 54.194 56.400 0.057 0.000 0.799 51 E CB 1.190 30.914 29.700 0.041 0.000 1.172 51 E HN 0.349 nan 8.360 nan 0.000 0.404 52 P HA -0.021 nan 4.420 nan 0.000 0.267 52 P C -0.252 177.116 177.300 0.113 0.000 1.200 52 P CA -0.079 63.104 63.100 0.138 0.000 0.772 52 P CB 0.500 32.284 31.700 0.141 0.000 0.855 53 K N 3.589 124.078 120.400 0.147 0.000 2.412 53 K HA 0.054 4.399 4.320 0.042 0.000 0.281 53 K C 0.240 176.948 176.600 0.180 0.000 1.027 53 K CA 0.112 56.486 56.287 0.144 0.000 0.989 53 K CB 0.189 32.801 32.500 0.188 0.000 0.935 53 K HN 0.258 nan 8.250 nan 0.000 0.475 54 R N 4.728 125.318 120.500 0.149 0.000 2.643 54 R HA 0.139 4.504 4.340 0.042 0.000 0.270 54 R C -2.011 174.396 176.300 0.179 0.000 1.061 54 R CA -1.551 54.626 56.100 0.129 0.000 1.107 54 R CB -0.023 30.336 30.300 0.098 0.000 0.999 54 R HN 0.576 nan 8.270 nan 0.000 0.460 55 P HA -0.076 nan 4.420 nan 0.000 0.267 55 P C -1.199 176.136 177.300 0.058 0.000 1.200 55 P CA 0.131 63.170 63.100 -0.101 0.000 0.772 55 P CB 0.317 31.925 31.700 -0.152 0.000 0.855 56 W N 1.191 122.524 121.300 0.055 0.000 2.719 56 W HA 0.687 5.372 4.660 0.042 0.000 0.352 56 W C -0.440 176.104 176.519 0.041 0.000 1.085 56 W CA -1.024 56.350 57.345 0.049 0.000 1.187 56 W CB 0.065 29.561 29.460 0.061 0.000 1.417 56 W HN 0.383 nan 8.180 nan 0.000 0.557 57 S N 1.704 117.566 115.700 0.269 0.000 2.652 57 S HA 0.779 5.274 4.470 0.042 0.000 0.270 57 S C 0.702 175.459 174.600 0.262 0.000 1.243 57 S CA 0.168 58.469 58.200 0.169 0.000 0.999 57 S CB 0.728 63.997 63.200 0.115 0.000 0.973 57 S HN 2.164 nan 8.310 nan 0.000 0.544 58 G N 0.084 108.984 108.800 0.167 0.000 2.575 58 G HA2 -0.180 3.805 3.960 0.042 0.000 0.267 58 G HA3 -0.180 3.805 3.960 0.042 0.000 0.267 58 G C -0.571 174.467 174.900 0.229 0.000 1.264 58 G CA -0.142 45.054 45.100 0.160 0.000 0.935 58 G HN 1.720 nan 8.290 nan 0.000 0.568 59 V N 0.628 120.650 119.914 0.181 0.000 2.357 59 V HA 0.569 4.714 4.120 0.042 0.000 0.284 59 V C 0.553 176.725 176.094 0.129 0.000 1.018 59 V CA -0.361 62.052 62.300 0.189 0.000 0.841 59 V CB 1.305 33.203 31.823 0.125 0.000 0.991 59 V HN 0.820 nan 8.190 nan 0.000 0.437 60 L N 3.957 125.245 121.223 0.109 0.000 2.319 60 L HA 0.388 4.753 4.340 0.042 0.000 0.280 60 L C 0.367 177.205 176.870 -0.054 0.000 1.099 60 L CA 0.010 54.776 54.840 -0.124 0.000 0.828 60 L CB 0.919 42.642 42.059 -0.561 0.000 1.150 60 L HN 0.793 nan 8.230 nan 0.000 0.442 61 D N 4.502 124.858 120.400 -0.073 0.000 2.346 61 D HA 0.316 4.981 4.640 0.042 0.000 0.260 61 D C -0.182 176.072 176.300 -0.077 0.000 1.252 61 D CA 0.320 54.286 54.000 -0.056 0.000 0.895 61 D CB 0.938 41.698 40.800 -0.066 0.000 1.097 61 D HN 0.609 nan 8.370 nan 0.000 0.489 62 A N 3.374 126.174 122.820 -0.034 0.000 3.201 62 A HA 0.332 4.677 4.320 0.042 0.000 0.312 62 A C 0.750 178.262 177.584 -0.121 0.000 1.011 62 A CA -0.339 51.673 52.037 -0.042 0.000 0.987 62 A CB -0.050 19.015 19.000 0.107 0.000 1.060 62 A HN 0.591 nan 8.150 nan 0.000 0.505 63 T N -3.383 111.070 114.554 -0.169 0.000 3.004 63 T HA 0.290 4.665 4.350 0.042 0.000 0.266 63 T C 0.597 175.137 174.700 -0.267 0.000 0.986 63 T CA 0.708 62.679 62.100 -0.216 0.000 0.902 63 T CB -0.092 68.683 68.868 -0.153 0.000 1.118 63 T HN 0.776 nan 8.240 nan 0.000 0.522 64 T N -0.277 114.116 114.554 -0.268 0.000 2.903 64 T HA 0.716 5.092 4.350 0.042 0.000 0.299 64 T C -0.793 173.736 174.700 -0.285 0.000 1.093 64 T CA -0.842 61.095 62.100 -0.272 0.000 1.002 64 T CB 1.151 69.928 68.868 -0.151 0.000 1.127 64 T HN -0.002 nan 8.240 nan 0.000 0.488 65 F N 1.857 121.736 119.950 -0.118 0.000 2.553 65 F HA 0.478 5.031 4.527 0.042 0.000 0.356 65 F C 1.031 176.729 175.800 -0.170 0.000 1.142 65 F CA 0.001 57.930 58.000 -0.118 0.000 1.322 65 F CB 0.622 39.580 39.000 -0.071 0.000 1.126 65 F HN 0.594 nan 8.300 nan 0.000 0.599 66 Q N 1.567 121.379 119.800 0.020 0.000 2.166 66 Q HA 0.320 4.685 4.340 0.042 0.000 0.226 66 Q C -0.583 175.339 176.000 -0.130 0.000 0.989 66 Q CA -0.720 54.937 55.803 -0.243 0.000 0.966 66 Q CB 0.608 28.956 28.738 -0.650 0.000 1.173 66 Q HN 0.470 nan 8.270 nan 0.000 0.509 67 N N -0.541 118.057 118.700 -0.170 0.000 2.395 67 N HA 0.032 4.797 4.740 0.042 0.000 0.246 67 N C -0.880 174.609 175.510 -0.035 0.000 1.246 67 N CA 0.062 53.065 53.050 -0.078 0.000 0.879 67 N CB 0.330 38.783 38.487 -0.057 0.000 1.098 67 N HN 0.296 nan 8.380 nan 0.000 0.444 68 V N 2.031 121.903 119.914 -0.070 0.000 2.614 68 V HA 0.024 4.170 4.120 0.042 0.000 0.291 68 V C 0.740 176.789 176.094 -0.075 0.000 1.049 68 V CA -0.748 61.497 62.300 -0.092 0.000 1.038 68 V CB 0.685 32.415 31.823 -0.156 0.000 0.980 68 V HN 0.704 nan 8.190 nan 0.000 0.481 69 c N 4.805 123.374 118.600 -0.052 0.000 2.634 69 c HA 0.059 4.654 4.570 0.042 0.000 0.417 69 c C 0.533 174.580 174.090 -0.073 0.000 1.334 69 c CA -0.496 55.810 56.329 -0.038 0.000 1.829 69 c CB -1.025 41.489 42.510 0.008 0.000 2.665 69 c HN 0.744 nan 8.230 nan 0.000 0.614 70 Y N 4.124 124.283 120.300 -0.234 0.000 2.721 70 Y HA 0.245 4.821 4.550 0.042 0.000 0.329 70 Y C 0.765 176.662 175.900 -0.004 0.000 1.211 70 Y CA 1.077 59.029 58.100 -0.248 0.000 1.512 70 Y CB 0.129 38.214 38.460 -0.625 0.000 1.249 70 Y HN 0.736 nan 8.280 nan 0.000 0.549 71 Q N 4.424 124.161 119.800 -0.104 0.000 2.578 71 Q HA 0.197 4.562 4.340 0.042 0.000 0.284 71 Q C -1.769 174.296 176.000 0.108 0.000 0.960 71 Q CA -1.199 54.699 55.803 0.159 0.000 0.809 71 Q CB 1.141 29.944 28.738 0.109 0.000 1.462 71 Q HN 0.684 nan 8.270 nan 0.000 0.392 72 Y N 1.343 121.751 120.300 0.181 0.000 2.712 72 Y HA 0.273 4.848 4.550 0.042 0.000 0.333 72 Y C -0.950 175.003 175.900 0.088 0.000 1.225 72 Y CA 0.312 58.492 58.100 0.132 0.000 1.499 72 Y CB 0.779 39.338 38.460 0.166 0.000 1.288 72 Y HN 0.441 nan 8.280 nan 0.000 0.575 73 V N 6.936 126.474 119.914 -0.626 0.000 2.435 73 V HA 0.089 4.234 4.120 0.042 0.000 0.290 73 V C -0.089 175.498 176.094 -0.845 0.000 1.030 73 V CA -1.115 60.864 62.300 -0.535 0.000 0.881 73 V CB 1.460 33.093 31.823 -0.317 0.000 0.983 73 V HN 0.785 nan 8.190 nan 0.000 0.445 74 D N 3.110 123.261 120.400 -0.416 0.000 2.425 74 D HA 0.107 4.772 4.640 0.042 0.000 0.247 74 D C 0.722 176.965 176.300 -0.095 0.000 1.147 74 D CA 0.509 54.406 54.000 -0.171 0.000 0.879 74 D CB 1.688 42.582 40.800 0.157 0.000 1.179 74 D HN 0.806 nan 8.370 nan 0.000 0.456 75 T N 0.748 115.282 114.554 -0.032 0.000 3.087 75 T HA -0.011 4.365 4.350 0.042 0.000 0.283 75 T C 1.700 176.381 174.700 -0.030 0.000 0.956 75 T CA -0.401 61.681 62.100 -0.030 0.000 0.894 75 T CB 0.103 68.939 68.868 -0.053 0.000 1.160 75 T HN 0.225 nan 8.240 nan 0.000 0.532 76 L N 0.878 122.074 121.223 -0.044 0.000 2.042 76 L HA 0.129 4.494 4.340 0.042 0.000 0.210 76 L C -0.207 176.393 176.870 -0.449 0.000 1.076 76 L CA 1.686 56.341 54.840 -0.309 0.000 0.749 76 L CB -0.437 41.333 42.059 -0.481 0.000 0.893 76 L HN 0.418 nan 8.230 nan 0.000 0.432 77 Y N -0.539 119.796 120.300 0.059 0.000 2.662 77 Y HA 0.420 4.995 4.550 0.042 0.000 0.358 77 Y C -2.245 173.696 175.900 0.068 0.000 1.041 77 Y CA -3.687 54.431 58.100 0.031 0.000 1.184 77 Y CB -0.256 38.207 38.460 0.005 0.000 1.114 77 Y HN 0.062 nan 8.280 nan 0.000 0.650 78 P HA 0.155 nan 4.420 nan 0.000 0.263 78 P C 0.997 178.348 177.300 0.085 0.000 1.195 78 P CA 1.131 64.282 63.100 0.084 0.000 0.762 78 P CB 0.793 32.514 31.700 0.035 0.000 0.799 79 G N 2.285 111.117 108.800 0.052 0.000 2.155 79 G HA2 -0.285 3.701 3.960 0.042 0.000 0.257 79 G HA3 -0.285 3.701 3.960 0.042 0.000 0.257 79 G C -0.162 174.762 174.900 0.040 0.000 0.983 79 G CA -0.309 44.800 45.100 0.017 0.000 0.676 79 G HN 0.551 nan 8.290 nan 0.000 0.528 80 F N 1.185 121.080 119.950 -0.091 0.000 2.411 80 F HA 0.631 5.183 4.527 0.042 0.000 0.350 80 F C 1.187 176.866 175.800 -0.202 0.000 1.114 80 F CA -0.710 57.186 58.000 -0.175 0.000 1.135 80 F CB 1.084 39.950 39.000 -0.224 0.000 1.120 80 F HN 0.137 nan 8.300 nan 0.000 0.495 81 E N 3.431 123.141 120.200 -0.816 0.000 2.097 81 E HA -0.149 4.226 4.350 0.042 0.000 0.196 81 E C 2.146 178.193 176.600 -0.921 0.000 1.000 81 E CA 1.630 57.590 56.400 -0.733 0.000 0.804 81 E CB -0.286 29.061 29.700 -0.589 0.000 0.740 81 E HN 1.036 nan 8.360 nan 0.000 0.454 82 G N -0.488 107.242 108.800 -1.783 0.000 2.470 82 G HA2 -0.281 3.704 3.960 0.042 0.000 0.220 82 G HA3 -0.281 3.704 3.960 0.042 0.000 0.220 82 G C 1.615 176.383 174.900 -0.220 0.000 1.121 82 G CA 1.549 45.918 45.100 -1.219 0.000 0.766 82 G HN 0.448 nan 8.290 nan 0.000 0.553 83 T N -2.341 112.086 114.554 -0.213 0.000 3.046 83 T HA 0.125 4.500 4.350 0.042 0.000 0.242 83 T C 1.870 176.638 174.700 0.114 0.000 1.018 83 T CA 0.646 62.934 62.100 0.313 0.000 1.131 83 T CB 0.018 69.173 68.868 0.479 0.000 0.904 83 T HN 0.092 nan 8.240 nan 0.000 0.459 84 E N 2.164 122.309 120.200 -0.092 0.000 2.265 84 E HA -0.066 4.310 4.350 0.042 0.000 0.196 84 E C 2.142 178.603 176.600 -0.231 0.000 0.996 84 E CA 1.123 57.446 56.400 -0.129 0.000 0.832 84 E CB -0.465 29.140 29.700 -0.159 0.000 0.756 84 E HN 0.817 nan 8.360 nan 0.000 0.491 85 M N -2.761 116.603 119.600 -0.393 0.000 2.557 85 M HA -0.014 4.491 4.480 0.042 0.000 0.259 85 M C 1.081 176.955 176.300 -0.711 0.000 1.086 85 M CA 1.213 56.139 55.300 -0.625 0.000 1.096 85 M CB -0.359 31.740 32.600 -0.834 0.000 1.424 85 M HN -0.017 nan 8.290 nan 0.000 0.488 86 W N 0.608 121.814 121.300 -0.156 0.000 3.127 86 W HA 0.340 5.025 4.660 0.041 0.000 0.344 86 W C 0.260 176.675 176.519 -0.174 0.000 1.151 86 W CA -0.996 56.247 57.345 -0.171 0.000 1.765 86 W CB -0.028 29.375 29.460 -0.094 0.000 1.085 86 W HN 0.079 nan 8.180 nan 0.000 0.596 87 N N 1.473 120.164 118.700 -0.015 0.000 2.483 87 N HA 0.183 4.948 4.740 0.042 0.000 0.269 87 N C -2.451 172.974 175.510 -0.142 0.000 1.209 87 N CA -1.694 51.315 53.050 -0.069 0.000 0.969 87 N CB 0.098 38.538 38.487 -0.078 0.000 1.173 87 N HN -0.355 nan 8.380 nan 0.000 0.475 88 P HA 0.050 nan 4.420 nan 0.000 0.264 88 P C 0.237 177.429 177.300 -0.180 0.000 1.193 88 P CA 0.061 63.050 63.100 -0.186 0.000 0.763 88 P CB 0.306 31.893 31.700 -0.189 0.000 0.810 89 N N 2.685 121.264 118.700 -0.201 0.000 2.236 89 N HA 0.053 4.818 4.740 0.042 0.000 0.196 89 N C 0.329 175.752 175.510 -0.146 0.000 1.114 89 N CA 0.232 53.173 53.050 -0.182 0.000 0.859 89 N CB 0.316 38.674 38.487 -0.215 0.000 0.982 89 N HN 0.149 nan 8.380 nan 0.000 0.493 90 R N 0.059 120.473 120.500 -0.143 0.000 3.018 90 R HA 0.367 4.732 4.340 0.042 0.000 0.243 90 R C -0.648 175.589 176.300 -0.105 0.000 1.315 90 R CA -0.772 55.266 56.100 -0.104 0.000 1.039 90 R CB 0.136 30.385 30.300 -0.084 0.000 1.315 90 R HN 0.066 nan 8.270 nan 0.000 0.492 91 E N 0.892 121.041 120.200 -0.085 0.000 2.392 91 E HA 0.127 4.502 4.350 0.042 0.000 0.264 91 E C -0.364 176.183 176.600 -0.087 0.000 1.024 91 E CA 0.084 56.437 56.400 -0.078 0.000 0.903 91 E CB 0.396 30.062 29.700 -0.057 0.000 0.963 91 E HN 0.260 nan 8.360 nan 0.000 0.432 92 L N 2.839 124.001 121.223 -0.103 0.000 2.426 92 L HA 0.303 4.668 4.340 0.042 0.000 0.271 92 L C 0.267 177.154 176.870 0.028 0.000 1.169 92 L CA 0.087 54.851 54.840 -0.127 0.000 0.836 92 L CB 0.855 42.701 42.059 -0.355 0.000 1.112 92 L HN 0.423 nan 8.230 nan 0.000 0.465 93 S N 0.797 116.535 115.700 0.063 0.000 2.558 93 S HA 0.155 4.650 4.470 0.042 0.000 0.277 93 S C 0.202 174.797 174.600 -0.009 0.000 1.143 93 S CA -0.676 57.564 58.200 0.066 0.000 0.865 93 S CB 1.488 64.694 63.200 0.009 0.000 1.102 93 S HN 0.745 nan 8.310 nan 0.000 0.454 94 E N 1.024 121.153 120.200 -0.119 0.000 2.338 94 E HA -0.084 4.291 4.350 0.042 0.000 0.197 94 E C -0.259 176.271 176.600 -0.116 0.000 1.007 94 E CA 0.557 56.822 56.400 -0.225 0.000 0.849 94 E CB 0.126 29.637 29.700 -0.315 0.000 0.774 94 E HN 0.502 nan 8.360 nan 0.000 0.506 95 D N 0.231 120.600 120.400 -0.051 0.000 2.494 95 D HA 0.008 4.673 4.640 0.042 0.000 0.217 95 D C 0.002 176.374 176.300 0.121 0.000 1.153 95 D CA -0.384 53.621 54.000 0.008 0.000 0.954 95 D CB 0.002 40.818 40.800 0.027 0.000 1.034 95 D HN 0.113 nan 8.370 nan 0.000 0.518 96 c N 2.343 120.991 118.600 0.079 0.000 3.772 96 c HA 0.368 4.963 4.570 0.042 0.000 0.293 96 c C 0.748 174.913 174.090 0.125 0.000 1.659 96 c CA -0.687 55.757 56.329 0.191 0.000 1.810 96 c CB -1.290 41.270 42.510 0.083 0.000 3.059 96 c HN 0.445 nan 8.230 nan 0.000 0.617 97 L N 2.435 123.457 121.223 -0.335 0.000 2.415 97 L HA 0.369 4.734 4.340 0.042 0.000 0.269 97 L C -0.931 175.232 176.870 -1.178 0.000 1.244 97 L CA 0.697 55.070 54.840 -0.778 0.000 1.113 97 L CB -0.857 40.608 42.059 -0.991 0.000 1.352 97 L HN 0.405 nan 8.230 nan 0.000 0.433 98 Y N 1.787 122.030 120.300 -0.096 0.000 2.553 98 Y HA 0.641 5.216 4.550 0.042 0.000 0.347 98 Y C -0.099 175.983 175.900 0.303 0.000 1.019 98 Y CA -1.239 56.901 58.100 0.067 0.000 1.032 98 Y CB 1.994 40.450 38.460 -0.008 0.000 1.284 98 Y HN 0.188 nan 8.280 nan 0.000 0.466 99 L N -0.253 121.151 121.223 0.301 0.000 2.283 99 L HA 0.788 5.154 4.340 0.042 0.000 0.259 99 L C -1.223 175.659 176.870 0.019 0.000 1.027 99 L CA -1.132 53.782 54.840 0.124 0.000 0.828 99 L CB 1.656 43.642 42.059 -0.122 0.000 1.380 99 L HN 0.477 nan 8.230 nan 0.000 0.425 100 N N -0.176 118.530 118.700 0.009 0.000 2.240 100 N HA 0.720 5.485 4.740 0.042 0.000 0.302 100 N C -1.553 173.843 175.510 -0.190 0.000 1.106 100 N CA -0.453 52.497 53.050 -0.166 0.000 0.778 100 N CB 2.928 41.294 38.487 -0.201 0.000 1.431 100 N HN 0.472 nan 8.380 nan 0.000 0.479 101 V N 1.436 121.168 119.914 -0.304 0.000 2.577 101 V HA 0.434 4.579 4.120 0.042 0.000 0.303 101 V C -0.826 175.190 176.094 -0.129 0.000 1.042 101 V CA -0.775 61.446 62.300 -0.133 0.000 0.872 101 V CB 2.111 33.722 31.823 -0.353 0.000 0.998 101 V HN 0.552 nan 8.190 nan 0.000 0.423 102 W N 2.454 123.846 121.300 0.154 0.000 2.520 102 W HA 0.641 5.327 4.660 0.043 0.000 0.323 102 W C 0.170 176.795 176.519 0.177 0.000 1.062 102 W CA -0.362 57.073 57.345 0.150 0.000 1.215 102 W CB 2.215 31.741 29.460 0.109 0.000 1.340 102 W HN 0.499 nan 8.180 nan 0.000 0.516 103 T N 3.190 117.992 114.554 0.414 0.000 2.901 103 T HA 0.523 4.898 4.350 0.042 0.000 0.293 103 T C -2.562 172.310 174.700 0.286 0.000 1.084 103 T CA -2.178 60.129 62.100 0.345 0.000 1.008 103 T CB 1.937 71.054 68.868 0.414 0.000 1.170 103 T HN -0.073 nan 8.240 nan 0.000 0.509 104 P HA 0.221 nan 4.420 nan 0.000 0.272 104 P C -1.783 175.654 177.300 0.228 0.000 1.223 104 P CA 0.016 63.233 63.100 0.196 0.000 0.784 104 P CB 0.137 31.921 31.700 0.141 0.000 0.923 105 Y N 3.522 123.875 120.300 0.087 0.000 2.326 105 Y HA 0.417 4.992 4.550 0.042 0.000 0.331 105 Y C -2.162 173.770 175.900 0.055 0.000 0.962 105 Y CA -2.513 55.631 58.100 0.073 0.000 1.167 105 Y CB 1.154 39.643 38.460 0.048 0.000 1.148 105 Y HN 0.336 nan 8.280 nan 0.000 0.463 106 P HA 0.187 nan 4.420 nan 0.000 0.272 106 P C -0.788 176.459 177.300 -0.090 0.000 1.240 106 P CA -0.335 62.557 63.100 -0.347 0.000 0.791 106 P CB 1.045 32.598 31.700 -0.245 0.000 0.978 107 R N 1.212 121.673 120.500 -0.065 0.000 2.638 107 R HA 0.100 4.466 4.340 0.042 0.000 0.268 107 R C -1.840 174.485 176.300 0.042 0.000 1.006 107 R CA -0.896 55.236 56.100 0.053 0.000 1.088 107 R CB -0.906 29.440 30.300 0.077 0.000 0.950 107 R HN 0.422 nan 8.270 nan 0.000 0.419 108 P HA -0.080 nan 4.420 nan 0.000 0.264 108 P C -0.122 177.199 177.300 0.034 0.000 1.183 108 P CA 0.371 63.505 63.100 0.057 0.000 0.763 108 P CB 0.748 32.494 31.700 0.076 0.000 0.807 109 A N 2.785 125.618 122.820 0.022 0.000 1.930 109 A HA -0.003 4.342 4.320 0.042 0.000 0.217 109 A C 0.942 178.532 177.584 0.011 0.000 1.175 109 A CA 1.610 53.653 52.037 0.011 0.000 0.627 109 A CB -0.655 18.349 19.000 0.007 0.000 0.815 109 A HN 0.622 nan 8.150 nan 0.000 0.443 110 S N -1.125 114.584 115.700 0.016 0.000 2.566 110 S HA 0.636 5.131 4.470 0.042 0.000 0.298 110 S C -3.215 171.397 174.600 0.020 0.000 1.083 110 S CA -1.886 56.321 58.200 0.012 0.000 0.978 110 S CB 1.313 64.518 63.200 0.008 0.000 1.073 110 S HN 0.006 nan 8.310 nan 0.000 0.491 111 P HA 0.182 nan 4.420 nan 0.000 0.262 111 P C -0.603 176.713 177.300 0.026 0.000 1.182 111 P CA 0.317 63.432 63.100 0.025 0.000 0.761 111 P CB 0.086 31.793 31.700 0.011 0.000 0.795 112 T N 5.130 119.711 114.554 0.045 0.000 2.855 112 T HA 0.430 4.805 4.350 0.042 0.000 0.281 112 T C -2.419 172.308 174.700 0.045 0.000 1.007 112 T CA -1.820 60.308 62.100 0.046 0.000 1.009 112 T CB 0.971 69.880 68.868 0.068 0.000 0.983 112 T HN 0.151 nan 8.240 nan 0.000 0.455 113 P HA 0.147 nan 4.420 nan 0.000 0.266 113 P C -0.977 176.360 177.300 0.061 0.000 1.193 113 P CA -0.219 62.896 63.100 0.024 0.000 0.770 113 P CB 0.407 32.104 31.700 -0.005 0.000 0.836 114 V N 4.571 124.535 119.914 0.084 0.000 2.417 114 V HA 0.293 4.439 4.120 0.042 0.000 0.291 114 V C 0.143 176.319 176.094 0.137 0.000 1.024 114 V CA -0.488 61.887 62.300 0.126 0.000 0.861 114 V CB 1.272 33.184 31.823 0.149 0.000 0.985 114 V HN 0.305 nan 8.190 nan 0.000 0.436 115 L N 6.032 127.350 121.223 0.159 0.000 2.295 115 L HA 0.587 4.952 4.340 0.042 0.000 0.285 115 L C -0.335 176.782 176.870 0.412 0.000 1.035 115 L CA 0.096 55.058 54.840 0.204 0.000 0.806 115 L CB 1.492 43.548 42.059 -0.006 0.000 1.214 115 L HN 0.461 nan 8.230 nan 0.000 0.426 116 I N 2.536 123.398 120.570 0.486 0.000 2.382 116 I HA 0.218 4.413 4.170 0.042 0.000 0.286 116 I C -0.860 175.561 176.117 0.506 0.000 1.002 116 I CA -0.463 61.097 61.300 0.433 0.000 1.135 116 I CB 1.270 39.395 38.000 0.209 0.000 1.288 116 I HN 0.637 nan 8.210 nan 0.000 0.448 117 W N 8.485 129.895 121.300 0.182 0.000 2.351 117 W HA 0.579 5.264 4.660 0.042 0.000 0.311 117 W C -1.518 174.894 176.519 -0.178 0.000 1.168 117 W CA -0.615 56.582 57.345 -0.248 0.000 1.200 117 W CB 1.167 30.526 29.460 -0.170 0.000 1.221 117 W HN 0.351 nan 8.180 nan 0.000 0.519 118 I N 8.900 128.824 120.570 -1.076 0.000 2.382 118 I HA 0.095 4.290 4.170 0.042 0.000 0.285 118 I C -0.194 175.089 176.117 -1.390 0.000 1.007 118 I CA -1.117 59.609 61.300 -0.957 0.000 1.142 118 I CB 0.713 38.339 38.000 -0.624 0.000 1.289 118 I HN 0.301 nan 8.210 nan 0.000 0.453 119 Y N 4.567 124.386 120.300 -0.802 0.000 2.330 119 Y HA 0.719 5.294 4.550 0.042 0.000 0.341 119 Y C 0.783 176.491 175.900 -0.321 0.000 1.278 119 Y CA -0.848 56.891 58.100 -0.602 0.000 1.453 119 Y CB -0.103 38.246 38.460 -0.186 0.000 1.342 119 Y HN 0.528 nan 8.280 nan 0.000 0.590 120 G N -1.200 107.609 108.800 0.016 0.000 2.606 120 G HA2 0.484 4.469 3.960 0.042 0.000 0.262 120 G HA3 0.484 4.469 3.960 0.042 0.000 0.262 120 G C 0.320 175.157 174.900 -0.105 0.000 1.394 120 G CA -0.933 44.102 45.100 -0.108 0.000 1.044 120 G HN 1.728 nan 8.290 nan 0.000 0.553 121 G N -2.874 105.702 108.800 -0.373 0.000 2.161 121 G HA2 0.388 4.373 3.960 0.042 0.000 0.140 121 G HA3 0.388 4.373 3.960 0.042 0.000 0.140 121 G C 1.094 175.411 174.900 -0.972 0.000 1.040 121 G CA 0.743 45.476 45.100 -0.613 0.000 0.735 121 G HN 2.370 nan 8.290 nan 0.000 0.496 122 G N -0.479 107.774 108.800 -0.911 0.000 2.179 122 G HA2 -0.116 3.869 3.960 0.042 0.000 0.257 122 G HA3 -0.116 3.869 3.960 0.042 0.000 0.257 122 G C 0.903 175.497 174.900 -0.510 0.000 1.010 122 G CA 0.743 45.038 45.100 -1.341 0.000 0.736 122 G HN 1.769 nan 8.290 nan 0.000 0.513 123 F N -3.306 116.502 119.950 -0.237 0.000 2.935 123 F HA -0.344 4.209 4.527 0.042 0.000 0.317 123 F C 1.533 177.451 175.800 0.196 0.000 0.699 123 F CA 2.247 60.254 58.000 0.011 0.000 1.127 123 F CB -2.078 36.748 39.000 -0.290 0.000 1.491 123 F HN 0.884 nan 8.300 nan 0.000 0.337 124 Y N -0.835 119.573 120.300 0.180 0.000 2.445 124 Y HA 0.625 5.200 4.550 0.042 0.000 0.247 124 Y C 0.674 176.693 175.900 0.198 0.000 1.129 124 Y CA 0.270 58.523 58.100 0.255 0.000 1.251 124 Y CB 0.011 38.614 38.460 0.239 0.000 1.176 124 Y HN 0.083 nan 8.280 nan 0.000 0.522 125 S N -0.992 114.437 115.700 -0.451 0.000 2.672 125 S HA 0.880 5.375 4.470 0.042 0.000 0.271 125 S C -0.194 174.214 174.600 -0.321 0.000 1.171 125 S CA -0.491 57.501 58.200 -0.348 0.000 0.817 125 S CB 1.499 64.407 63.200 -0.487 0.000 1.150 125 S HN 1.310 nan 8.310 nan 0.000 0.478 126 G N -0.692 107.883 108.800 -0.374 0.000 2.392 126 G HA2 0.567 4.552 3.960 0.042 0.000 0.677 126 G HA3 0.567 4.552 3.960 0.042 0.000 0.677 126 G C -0.732 173.521 174.900 -1.079 0.000 1.334 126 G CA -0.199 44.500 45.100 -0.668 0.000 0.961 126 G HN 2.265 nan 8.290 nan 0.000 0.616 127 A N -1.391 120.605 122.820 -1.375 0.000 2.599 127 A HA 0.976 5.321 4.320 0.042 0.000 0.294 127 A C 0.462 177.840 177.584 -0.343 0.000 1.055 127 A CA 0.653 52.177 52.037 -0.855 0.000 0.683 127 A CB 0.779 19.536 19.000 -0.405 0.000 1.278 127 A HN 2.586 nan 8.150 nan 0.000 0.412 128 A N 0.336 123.204 122.820 0.080 0.000 2.238 128 A HA 0.333 4.679 4.320 0.042 0.000 0.208 128 A C 1.553 179.200 177.584 0.106 0.000 1.177 128 A CA 1.585 53.850 52.037 0.380 0.000 0.804 128 A CB -0.570 18.723 19.000 0.489 0.000 0.823 128 A HN 1.801 nan 8.150 nan 0.000 0.482 129 S N -0.616 114.902 115.700 -0.303 0.000 2.556 129 S HA 0.327 4.823 4.470 0.042 0.000 0.216 129 S C 0.474 174.644 174.600 -0.716 0.000 0.970 129 S CA -0.453 57.135 58.200 -1.019 0.000 0.912 129 S CB -0.533 61.962 63.200 -1.175 0.000 0.790 129 S HN 0.370 nan 8.310 nan 0.000 0.504 130 L N 2.467 123.407 121.223 -0.471 0.000 2.483 130 L HA 0.151 4.516 4.340 0.042 0.000 0.276 130 L C 1.032 177.566 176.870 -0.560 0.000 1.213 130 L CA -0.451 54.057 54.840 -0.553 0.000 0.843 130 L CB 0.218 41.829 42.059 -0.747 0.000 1.107 130 L HN 0.078 nan 8.230 nan 0.000 0.487 131 D N 1.169 121.286 120.400 -0.473 0.000 2.218 131 D HA -0.133 4.532 4.640 0.042 0.000 0.204 131 D C 1.971 178.002 176.300 -0.448 0.000 0.976 131 D CA 1.208 54.993 54.000 -0.357 0.000 0.853 131 D CB -0.028 40.608 40.800 -0.273 0.000 0.939 131 D HN 0.538 nan 8.370 nan 0.000 0.481 132 V N -1.475 118.030 119.914 -0.681 0.000 3.141 132 V HA -0.135 4.011 4.120 0.042 0.000 0.265 132 V C 0.995 176.530 176.094 -0.932 0.000 1.126 132 V CA 0.924 62.798 62.300 -0.710 0.000 1.141 132 V CB -1.124 30.261 31.823 -0.730 0.000 0.743 132 V HN 0.040 nan 8.190 nan 0.000 0.492 133 Y N 0.127 119.891 120.300 -0.894 0.000 2.625 133 Y HA 0.466 5.041 4.550 0.042 0.000 0.285 133 Y C 0.770 176.057 175.900 -1.022 0.000 1.168 133 Y CA -2.060 55.119 58.100 -1.535 0.000 1.250 133 Y CB -0.854 37.028 38.460 -0.964 0.000 1.130 133 Y HN 0.206 nan 8.280 nan 0.000 0.526 134 D N 0.954 121.037 120.400 -0.529 0.000 2.389 134 D HA 0.030 4.695 4.640 0.042 0.000 0.263 134 D C 1.420 177.396 176.300 -0.541 0.000 1.255 134 D CA 0.497 54.260 54.000 -0.396 0.000 0.914 134 D CB 1.212 41.925 40.800 -0.145 0.000 1.116 134 D HN 0.507 nan 8.370 nan 0.000 0.502 135 G N 4.120 112.027 108.800 -1.489 0.000 2.848 135 G HA2 -0.188 3.797 3.960 0.042 0.000 0.208 135 G HA3 -0.188 3.797 3.960 0.042 0.000 0.208 135 G C 1.466 175.799 174.900 -0.945 0.000 1.152 135 G CA 0.117 44.497 45.100 -1.200 0.000 0.789 135 G HN 0.519 nan 8.290 nan 0.000 0.531 136 R N -0.258 119.599 120.500 -1.072 0.000 2.097 136 R HA -0.153 4.212 4.340 0.042 0.000 0.236 136 R C 2.044 178.050 176.300 -0.490 0.000 1.135 136 R CA 1.799 57.486 56.100 -0.689 0.000 0.934 136 R CB -0.461 29.341 30.300 -0.829 0.000 0.846 136 R HN 0.350 nan 8.270 nan 0.000 0.431 137 F N 0.985 120.841 119.950 -0.158 0.000 2.069 137 F HA -0.171 4.382 4.527 0.043 0.000 0.298 137 F C 2.359 178.103 175.800 -0.092 0.000 1.113 137 F CA 1.149 59.083 58.000 -0.110 0.000 1.214 137 F CB -0.748 38.177 39.000 -0.125 0.000 0.978 137 F HN 0.005 nan 8.300 nan 0.000 0.474 138 L N -0.187 121.072 121.223 0.059 0.000 2.079 138 L HA -0.223 4.142 4.340 0.042 0.000 0.210 138 L C 2.724 179.607 176.870 0.022 0.000 1.081 138 L CA 1.166 56.005 54.840 -0.001 0.000 0.752 138 L CB -1.006 41.012 42.059 -0.068 0.000 0.896 138 L HN 0.200 nan 8.230 nan 0.000 0.433 139 A N -0.979 121.858 122.820 0.029 0.000 1.877 139 A HA -0.242 4.103 4.320 0.042 0.000 0.216 139 A C 2.304 179.932 177.584 0.074 0.000 1.186 139 A CA 1.584 53.674 52.037 0.089 0.000 0.620 139 A CB -0.483 18.612 19.000 0.158 0.000 0.822 139 A HN 0.398 nan 8.150 nan 0.000 0.443 140 Q N -0.250 119.575 119.800 0.041 0.000 2.083 140 Q HA -0.058 4.307 4.340 0.042 0.000 0.198 140 Q C 2.108 178.139 176.000 0.051 0.000 0.969 140 Q CA 1.862 57.693 55.803 0.047 0.000 0.838 140 Q CB -0.087 28.660 28.738 0.016 0.000 0.900 140 Q HN 0.440 nan 8.270 nan 0.000 0.436 141 V N 0.862 120.806 119.914 0.049 0.000 2.426 141 V HA -0.070 4.075 4.120 0.042 0.000 0.242 141 V C 1.723 177.834 176.094 0.028 0.000 1.036 141 V CA 1.277 63.600 62.300 0.039 0.000 1.044 141 V CB -0.092 31.752 31.823 0.035 0.000 0.688 141 V HN 0.180 nan 8.190 nan 0.000 0.462 142 E N 0.148 120.363 120.200 0.025 0.000 2.472 142 E HA 0.180 4.555 4.350 0.042 0.000 0.196 142 E C 1.711 178.331 176.600 0.034 0.000 1.033 142 E CA 0.741 57.153 56.400 0.020 0.000 0.886 142 E CB 0.314 30.018 29.700 0.007 0.000 0.944 142 E HN 0.602 nan 8.360 nan 0.000 0.492 143 G N 1.608 110.437 108.800 0.049 0.000 2.198 143 G HA2 -0.298 3.687 3.960 0.042 0.000 0.260 143 G HA3 -0.298 3.687 3.960 0.042 0.000 0.260 143 G C 0.459 175.404 174.900 0.076 0.000 1.025 143 G CA 0.402 45.541 45.100 0.065 0.000 0.769 143 G HN 0.487 nan 8.290 nan 0.000 0.507 144 A N -0.835 122.029 122.820 0.075 0.000 2.322 144 A HA 0.743 5.089 4.320 0.042 0.000 0.269 144 A C 0.463 178.129 177.584 0.138 0.000 1.094 144 A CA -0.036 52.051 52.037 0.084 0.000 0.807 144 A CB 1.313 20.344 19.000 0.053 0.000 1.047 144 A HN 1.116 nan 8.150 nan 0.000 0.487 145 V N 2.787 122.791 119.914 0.150 0.000 2.348 145 V HA 0.314 4.459 4.120 0.042 0.000 0.270 145 V C -0.130 176.100 176.094 0.227 0.000 1.037 145 V CA -0.029 62.390 62.300 0.198 0.000 0.872 145 V CB 0.576 32.506 31.823 0.178 0.000 1.002 145 V HN 0.706 nan 8.190 nan 0.000 0.464 146 L N 6.475 127.888 121.223 0.316 0.000 2.322 146 L HA 0.732 5.098 4.340 0.042 0.000 0.281 146 L C -0.702 176.466 176.870 0.497 0.000 1.014 146 L CA -0.195 54.886 54.840 0.402 0.000 0.815 146 L CB 1.754 44.049 42.059 0.394 0.000 1.247 146 L HN 0.427 nan 8.230 nan 0.000 0.421 147 V N 3.167 123.350 119.914 0.447 0.000 2.604 147 V HA 0.711 4.857 4.120 0.042 0.000 0.305 147 V C -0.524 175.832 176.094 0.437 0.000 1.043 147 V CA -0.444 62.075 62.300 0.364 0.000 0.888 147 V CB 2.033 33.997 31.823 0.235 0.000 0.995 147 V HN 0.848 nan 8.190 nan 0.000 0.429 148 S N 5.087 121.032 115.700 0.408 0.000 2.548 148 S HA 0.821 5.317 4.470 0.042 0.000 0.276 148 S C -0.840 173.924 174.600 0.274 0.000 1.129 148 S CA -0.838 57.606 58.200 0.408 0.000 0.931 148 S CB 2.092 65.664 63.200 0.620 0.000 1.068 148 S HN 0.841 nan 8.310 nan 0.000 0.480 149 M N 1.522 121.239 119.600 0.195 0.000 2.578 149 M HA 0.642 5.147 4.480 0.042 0.000 0.321 149 M C -1.373 175.144 176.300 0.361 0.000 1.182 149 M CA -0.482 54.934 55.300 0.195 0.000 0.965 149 M CB 0.866 33.423 32.600 -0.073 0.000 1.694 149 M HN 0.538 nan 8.290 nan 0.000 0.461 150 N N 2.552 121.529 118.700 0.463 0.000 2.530 150 N HA 0.515 5.280 4.740 0.042 0.000 0.277 150 N C -1.359 174.425 175.510 0.456 0.000 1.168 150 N CA 0.103 53.434 53.050 0.468 0.000 0.979 150 N CB 0.484 39.178 38.487 0.346 0.000 1.141 150 N HN 0.718 nan 8.380 nan 0.000 0.459 151 Y N -1.841 118.638 120.300 0.299 0.000 2.524 151 Y HA 0.573 5.148 4.550 0.042 0.000 0.347 151 Y C 0.034 176.075 175.900 0.235 0.000 1.005 151 Y CA -1.326 56.904 58.100 0.216 0.000 1.025 151 Y CB 0.926 39.445 38.460 0.099 0.000 1.275 151 Y HN 0.204 nan 8.280 nan 0.000 0.460 152 R N 1.734 122.388 120.500 0.256 0.000 2.679 152 R HA 0.488 4.853 4.340 0.042 0.000 0.268 152 R C -0.266 176.200 176.300 0.276 0.000 1.044 152 R CA -0.034 56.174 56.100 0.180 0.000 1.105 152 R CB 0.866 31.239 30.300 0.121 0.000 0.989 152 R HN 0.744 nan 8.270 nan 0.000 0.447 153 V N -0.896 119.224 119.914 0.342 0.000 3.156 153 V HA 0.848 4.993 4.120 0.042 0.000 0.311 153 V C 0.737 177.186 176.094 0.592 0.000 1.208 153 V CA -0.193 62.430 62.300 0.538 0.000 1.063 153 V CB 1.031 33.077 31.823 0.371 0.000 1.098 153 V HN 0.953 nan 8.190 nan 0.000 0.452 154 G N 1.562 110.756 108.800 0.657 0.000 2.594 154 G HA2 -0.337 3.648 3.960 0.042 0.000 0.297 154 G HA3 -0.337 3.648 3.960 0.042 0.000 0.297 154 G C 1.134 176.217 174.900 0.305 0.000 1.273 154 G CA 2.008 47.441 45.100 0.554 0.000 0.974 154 G HN 2.403 nan 8.290 nan 0.000 0.552 155 T N -1.748 112.710 114.554 -0.160 0.000 2.746 155 T HA -0.064 4.311 4.350 0.042 0.000 0.267 155 T C 2.170 176.755 174.700 -0.191 0.000 1.039 155 T CA 2.550 64.298 62.100 -0.587 0.000 1.142 155 T CB -0.442 67.945 68.868 -0.801 0.000 0.866 155 T HN 0.556 nan 8.240 nan 0.000 0.444 156 F N 2.281 122.319 119.950 0.147 0.000 2.202 156 F HA 0.179 4.731 4.527 0.042 0.000 0.301 156 F C 2.765 178.587 175.800 0.037 0.000 1.082 156 F CA 0.873 58.910 58.000 0.061 0.000 1.313 156 F CB -1.010 37.993 39.000 0.006 0.000 1.024 156 F HN 0.386 nan 8.300 nan 0.000 0.495 157 G N -2.066 106.834 108.800 0.167 0.000 2.595 157 G HA2 0.025 4.010 3.960 0.042 0.000 0.213 157 G HA3 0.025 4.010 3.960 0.042 0.000 0.213 157 G C 0.871 175.325 174.900 -0.743 0.000 1.141 157 G CA 0.263 45.189 45.100 -0.291 0.000 0.806 157 G HN 0.369 nan 8.290 nan 0.000 0.530 158 F N -0.826 119.242 119.950 0.196 0.000 2.974 158 F HA 0.420 4.972 4.527 0.043 0.000 0.357 158 F C 0.391 176.288 175.800 0.162 0.000 1.114 158 F CA -0.975 57.122 58.000 0.161 0.000 1.099 158 F CB 0.269 39.381 39.000 0.187 0.000 1.205 158 F HN -0.100 nan 8.300 nan 0.000 0.535 159 L N 2.245 123.521 121.223 0.089 0.000 2.499 159 L HA 0.488 4.853 4.340 0.042 0.000 0.273 159 L C 0.029 176.866 176.870 -0.055 0.000 1.195 159 L CA 0.163 54.935 54.840 -0.112 0.000 0.882 159 L CB 0.446 42.147 42.059 -0.596 0.000 1.133 159 L HN 0.150 nan 8.230 nan 0.000 0.483 160 A N 6.535 129.370 122.820 0.025 0.000 2.398 160 A HA 0.621 4.966 4.320 0.042 0.000 0.301 160 A C -1.097 176.471 177.584 -0.025 0.000 1.041 160 A CA -0.575 51.461 52.037 -0.001 0.000 0.711 160 A CB 1.171 20.207 19.000 0.060 0.000 1.240 160 A HN 0.680 nan 8.150 nan 0.000 0.420 161 L N 3.564 124.754 121.223 -0.055 0.000 2.335 161 L HA 0.315 4.680 4.340 0.042 0.000 0.268 161 L C -2.471 174.391 176.870 -0.014 0.000 1.037 161 L CA -1.881 52.937 54.840 -0.037 0.000 0.895 161 L CB 1.545 43.569 42.059 -0.059 0.000 1.266 161 L HN 0.412 nan 8.230 nan 0.000 0.439 162 P HA 0.077 nan 4.420 nan 0.000 0.263 162 P C 0.894 178.199 177.300 0.008 0.000 1.195 162 P CA 0.674 63.779 63.100 0.009 0.000 0.762 162 P CB 0.913 32.618 31.700 0.009 0.000 0.799 163 G N 1.897 110.705 108.800 0.014 0.000 2.176 163 G HA2 -0.215 3.770 3.960 0.042 0.000 0.232 163 G HA3 -0.215 3.770 3.960 0.042 0.000 0.232 163 G C 0.333 175.240 174.900 0.013 0.000 0.986 163 G CA 0.192 45.300 45.100 0.014 0.000 0.643 163 G HN 0.772 nan 8.290 nan 0.000 0.522 164 S N -0.625 115.082 115.700 0.011 0.000 2.632 164 S HA 0.676 5.171 4.470 0.042 0.000 0.271 164 S C 1.171 175.784 174.600 0.022 0.000 1.260 164 S CA 0.140 58.347 58.200 0.011 0.000 1.010 164 S CB 2.128 65.329 63.200 0.001 0.000 0.965 164 S HN 0.326 nan 8.310 nan 0.000 0.534 165 R N 0.493 121.008 120.500 0.025 0.000 2.119 165 R HA 0.004 4.370 4.340 0.042 0.000 0.222 165 R C 1.187 177.513 176.300 0.043 0.000 1.088 165 R CA 1.259 57.379 56.100 0.033 0.000 0.984 165 R CB -0.028 30.290 30.300 0.030 0.000 0.884 165 R HN 0.920 nan 8.270 nan 0.000 0.447 166 E N -1.120 119.106 120.200 0.043 0.000 2.538 166 E HA 0.113 4.488 4.350 0.042 0.000 0.207 166 E C -0.533 176.118 176.600 0.086 0.000 1.002 166 E CA 0.049 56.489 56.400 0.068 0.000 0.952 166 E CB 1.295 31.037 29.700 0.070 0.000 1.031 166 E HN 0.136 nan 8.360 nan 0.000 0.476 167 A N 2.534 125.378 122.820 0.039 0.000 3.422 167 A HA 0.348 4.693 4.320 0.042 0.000 0.271 167 A C -2.249 175.340 177.584 0.009 0.000 1.104 167 A CA -0.830 51.212 52.037 0.009 0.000 0.899 167 A CB 0.815 19.729 19.000 -0.144 0.000 1.309 167 A HN -0.044 nan 8.150 nan 0.000 0.580 168 P HA 0.167 nan 4.420 nan 0.000 0.237 168 P C 0.917 178.243 177.300 0.043 0.000 1.178 168 P CA 1.659 64.783 63.100 0.040 0.000 0.766 168 P CB 0.134 31.866 31.700 0.055 0.000 0.876 169 G N 1.073 109.898 108.800 0.042 0.000 2.758 169 G HA2 -0.203 3.782 3.960 0.042 0.000 0.686 169 G HA3 -0.203 3.782 3.960 0.042 0.000 0.686 169 G C -0.000 174.918 174.900 0.030 0.000 1.389 169 G CA -0.271 44.861 45.100 0.052 0.000 0.845 169 G HN 0.150 nan 8.290 nan 0.000 0.572 170 N N -2.482 116.240 118.700 0.037 0.000 2.828 170 N HA -0.295 4.471 4.740 0.042 0.000 0.248 170 N C 1.919 177.324 175.510 -0.175 0.000 1.044 170 N CA 2.459 55.473 53.050 -0.060 0.000 0.851 170 N CB -1.687 36.689 38.487 -0.185 0.000 1.136 170 N HN 1.912 nan 8.380 nan 0.000 0.572 171 V N -2.263 117.547 119.914 -0.174 0.000 2.407 171 V HA -0.038 4.107 4.120 0.042 0.000 0.248 171 V C 2.382 178.383 176.094 -0.155 0.000 1.055 171 V CA 2.418 64.654 62.300 -0.108 0.000 1.049 171 V CB -1.093 30.712 31.823 -0.029 0.000 0.662 171 V HN 0.264 nan 8.190 nan 0.000 0.455 172 G N 0.337 108.877 108.800 -0.435 0.000 2.450 172 G HA2 -0.186 3.800 3.960 0.042 0.000 0.220 172 G HA3 -0.186 3.800 3.960 0.042 0.000 0.220 172 G C 1.570 176.452 174.900 -0.030 0.000 1.130 172 G CA 1.275 46.231 45.100 -0.240 0.000 0.760 172 G HN 0.558 nan 8.290 nan 0.000 0.557 173 L N -0.340 120.826 121.223 -0.096 0.000 2.156 173 L HA 0.124 4.489 4.340 0.042 0.000 0.208 173 L C 2.745 179.670 176.870 0.092 0.000 1.095 173 L CA 0.234 55.000 54.840 -0.123 0.000 0.770 173 L CB -0.206 41.473 42.059 -0.633 0.000 0.914 173 L HN 0.188 nan 8.230 nan 0.000 0.439 174 L N -0.653 120.630 121.223 0.099 0.000 2.156 174 L HA -0.174 4.191 4.340 0.042 0.000 0.208 174 L C 2.100 179.104 176.870 0.222 0.000 1.095 174 L CA 0.702 55.680 54.840 0.230 0.000 0.770 174 L CB -0.546 41.627 42.059 0.191 0.000 0.914 174 L HN 0.249 nan 8.230 nan 0.000 0.439 175 D N 0.065 120.588 120.400 0.204 0.000 2.104 175 D HA -0.207 4.458 4.640 0.042 0.000 0.194 175 D C 2.267 178.716 176.300 0.247 0.000 0.994 175 D CA 1.242 55.438 54.000 0.328 0.000 0.830 175 D CB -0.186 40.828 40.800 0.356 0.000 0.959 175 D HN 0.392 nan 8.370 nan 0.000 0.452 176 Q N 0.152 120.037 119.800 0.142 0.000 2.050 176 Q HA -0.124 4.241 4.340 0.042 0.000 0.202 176 Q C 2.306 178.297 176.000 -0.016 0.000 0.980 176 Q CA 1.084 56.890 55.803 0.006 0.000 0.840 176 Q CB -0.084 28.666 28.738 0.021 0.000 0.898 176 Q HN 0.185 nan 8.270 nan 0.000 0.424 177 R N 0.567 121.169 120.500 0.171 0.000 2.091 177 R HA -0.200 4.166 4.340 0.042 0.000 0.238 177 R C 2.213 178.568 176.300 0.092 0.000 1.136 177 R CA 1.221 57.410 56.100 0.147 0.000 0.959 177 R CB -0.295 30.197 30.300 0.320 0.000 0.856 177 R HN 0.227 nan 8.270 nan 0.000 0.437 178 L N 0.718 122.023 121.223 0.137 0.000 2.042 178 L HA -0.090 4.275 4.340 0.042 0.000 0.210 178 L C 2.273 179.157 176.870 0.023 0.000 1.076 178 L CA 2.146 57.085 54.840 0.164 0.000 0.749 178 L CB -0.684 41.565 42.059 0.317 0.000 0.893 178 L HN 0.278 nan 8.230 nan 0.000 0.432 179 A N -0.998 121.618 122.820 -0.340 0.000 1.933 179 A HA -0.155 4.190 4.320 0.042 0.000 0.218 179 A C 2.095 179.618 177.584 -0.102 0.000 1.175 179 A CA 1.738 53.425 52.037 -0.583 0.000 0.628 179 A CB -0.752 17.690 19.000 -0.930 0.000 0.814 179 A HN 0.404 nan 8.150 nan 0.000 0.444 180 L N -0.417 120.760 121.223 -0.076 0.000 2.012 180 L HA -0.212 4.153 4.340 0.042 0.000 0.210 180 L C 2.638 179.557 176.870 0.082 0.000 1.073 180 L CA 2.137 56.979 54.840 0.004 0.000 0.748 180 L CB -1.191 40.834 42.059 -0.056 0.000 0.891 180 L HN 0.462 nan 8.230 nan 0.000 0.431 181 Q N -2.236 117.621 119.800 0.094 0.000 2.124 181 Q HA -0.266 4.099 4.340 0.042 0.000 0.202 181 Q C 2.146 178.231 176.000 0.142 0.000 0.977 181 Q CA 1.919 57.786 55.803 0.108 0.000 0.850 181 Q CB -0.369 28.439 28.738 0.116 0.000 0.901 181 Q HN 0.588 nan 8.270 nan 0.000 0.429 182 W N -0.213 121.100 121.300 0.022 0.000 2.358 182 W HA -0.217 4.468 4.660 0.042 0.000 0.303 182 W C 1.736 178.291 176.519 0.060 0.000 1.208 182 W CA 1.240 58.619 57.345 0.057 0.000 1.274 182 W CB -0.118 29.378 29.460 0.060 0.000 1.138 182 W HN -0.121 nan 8.180 nan 0.000 0.515 183 V N 0.930 121.050 119.914 0.342 0.000 2.295 183 V HA -0.356 3.789 4.120 0.042 0.000 0.246 183 V C 2.578 178.690 176.094 0.031 0.000 1.049 183 V CA 2.103 64.528 62.300 0.209 0.000 1.024 183 V CB -1.004 30.957 31.823 0.230 0.000 0.648 183 V HN 0.206 nan 8.190 nan 0.000 0.447 184 Q N -0.046 119.776 119.800 0.036 0.000 2.061 184 Q HA -0.240 4.126 4.340 0.042 0.000 0.204 184 Q C 2.205 178.171 176.000 -0.055 0.000 0.984 184 Q CA 1.878 57.688 55.803 0.011 0.000 0.846 184 Q CB -0.343 28.409 28.738 0.023 0.000 0.902 184 Q HN 0.732 nan 8.270 nan 0.000 0.421 185 E N -0.313 119.815 120.200 -0.120 0.000 2.274 185 E HA -0.045 4.330 4.350 0.042 0.000 0.194 185 E C 1.252 177.694 176.600 -0.264 0.000 0.996 185 E CA 0.511 56.807 56.400 -0.174 0.000 0.840 185 E CB 0.217 29.808 29.700 -0.182 0.000 0.772 185 E HN 0.324 nan 8.360 nan 0.000 0.491 186 N N -0.312 118.155 118.700 -0.390 0.000 2.266 186 N HA 0.024 4.789 4.740 0.042 0.000 0.217 186 N C 1.473 176.888 175.510 -0.158 0.000 1.211 186 N CA 0.025 52.792 53.050 -0.473 0.000 0.881 186 N CB 0.414 38.189 38.487 -1.186 0.000 1.153 186 N HN 0.025 nan 8.380 nan 0.000 0.489 187 I N 2.569 123.111 120.570 -0.047 0.000 2.361 187 I HA -0.111 4.085 4.170 0.042 0.000 0.251 187 I C 2.170 178.408 176.117 0.202 0.000 1.133 187 I CA 0.682 62.094 61.300 0.188 0.000 1.413 187 I CB -0.270 37.815 38.000 0.142 0.000 1.073 187 I HN 0.073 nan 8.210 nan 0.000 0.424 188 A N 0.365 123.223 122.820 0.064 0.000 1.948 188 A HA -0.202 4.143 4.320 0.042 0.000 0.220 188 A C 2.490 180.070 177.584 -0.008 0.000 1.177 188 A CA 1.829 53.883 52.037 0.028 0.000 0.636 188 A CB -1.213 17.778 19.000 -0.014 0.000 0.815 188 A HN 0.496 nan 8.150 nan 0.000 0.449 189 A N -1.525 121.243 122.820 -0.086 0.000 2.070 189 A HA 0.030 4.375 4.320 0.042 0.000 0.220 189 A C 1.638 179.008 177.584 -0.356 0.000 1.159 189 A CA 1.295 53.177 52.037 -0.259 0.000 0.656 189 A CB -0.685 18.069 19.000 -0.410 0.000 0.800 189 A HN 0.520 nan 8.150 nan 0.000 0.453 190 F N -1.223 118.684 119.950 -0.071 0.000 2.765 190 F HA 0.355 4.907 4.527 0.042 0.000 0.302 190 F C 1.867 177.681 175.800 0.024 0.000 1.111 190 F CA 0.627 58.604 58.000 -0.038 0.000 1.359 190 F CB 0.169 39.157 39.000 -0.020 0.000 1.097 190 F HN 0.342 nan 8.300 nan 0.000 0.577 191 G N 0.222 109.109 108.800 0.146 0.000 2.176 191 G HA2 -0.215 3.770 3.960 0.042 0.000 0.253 191 G HA3 -0.215 3.770 3.960 0.042 0.000 0.253 191 G C 0.762 175.734 174.900 0.120 0.000 0.979 191 G CA -0.236 44.928 45.100 0.107 0.000 0.641 191 G HN 0.719 nan 8.290 nan 0.000 0.530 192 G N -0.428 108.468 108.800 0.160 0.000 2.594 192 G HA2 0.417 4.402 3.960 0.042 0.000 0.243 192 G HA3 0.417 4.402 3.960 0.042 0.000 0.243 192 G C -0.498 174.454 174.900 0.086 0.000 1.229 192 G CA 0.421 45.599 45.100 0.130 0.000 0.843 192 G HN 0.229 nan 8.290 nan 0.000 0.578 193 D N 1.246 121.687 120.400 0.068 0.000 2.396 193 D HA 0.276 4.941 4.640 0.042 0.000 0.225 193 D C -1.179 175.155 176.300 0.056 0.000 1.121 193 D CA -2.273 51.750 54.000 0.039 0.000 0.853 193 D CB 1.866 42.670 40.800 0.007 0.000 1.043 193 D HN 0.049 nan 8.370 nan 0.000 0.500 194 P HA -0.059 nan 4.420 nan 0.000 0.230 194 P C 1.226 178.621 177.300 0.158 0.000 1.158 194 P CA 0.444 63.605 63.100 0.101 0.000 0.769 194 P CB 0.264 32.003 31.700 0.065 0.000 0.807 195 M N -1.093 118.536 119.600 0.049 0.000 2.495 195 M HA 0.108 4.613 4.480 0.042 0.000 0.237 195 M C 0.416 176.399 176.300 -0.527 0.000 1.131 195 M CA 0.350 55.591 55.300 -0.097 0.000 1.032 195 M CB 0.293 32.830 32.600 -0.105 0.000 1.513 195 M HN -0.233 nan 8.290 nan 0.000 0.488 196 S N 0.528 116.102 115.700 -0.209 0.000 2.279 196 S HA 0.427 4.922 4.470 0.042 0.000 0.176 196 S C -1.179 173.482 174.600 0.101 0.000 1.554 196 S CA -0.628 57.471 58.200 -0.169 0.000 1.242 196 S CB 0.463 63.584 63.200 -0.132 0.000 1.163 196 S HN -0.022 nan 8.310 nan 0.000 0.449 197 V N 4.111 124.249 119.914 0.373 0.000 2.384 197 V HA 0.527 4.673 4.120 0.042 0.000 0.287 197 V C 0.019 176.285 176.094 0.287 0.000 1.020 197 V CA -0.376 62.105 62.300 0.302 0.000 0.850 197 V CB 1.851 33.854 31.823 0.300 0.000 0.987 197 V HN 0.756 nan 8.190 nan 0.000 0.436 198 T N 6.747 121.420 114.554 0.198 0.000 2.770 198 T HA 0.579 4.954 4.350 0.042 0.000 0.283 198 T C -0.183 174.655 174.700 0.230 0.000 0.988 198 T CA -0.351 61.864 62.100 0.192 0.000 0.957 198 T CB 0.804 69.732 68.868 0.100 0.000 0.930 198 T HN 0.330 nan 8.240 nan 0.000 0.443 199 L N 4.648 125.976 121.223 0.175 0.000 2.371 199 L HA 0.676 5.041 4.340 0.042 0.000 0.272 199 L C -0.334 176.757 176.870 0.368 0.000 1.124 199 L CA -0.752 54.170 54.840 0.137 0.000 0.816 199 L CB 0.299 42.217 42.059 -0.235 0.000 1.129 199 L HN 0.641 nan 8.230 nan 0.000 0.448 200 F N 0.223 120.236 119.950 0.104 0.000 2.631 200 F HA 0.948 5.500 4.527 0.042 0.000 0.308 200 F C -0.365 175.424 175.800 -0.019 0.000 1.097 200 F CA -1.405 56.701 58.000 0.177 0.000 0.952 200 F CB 1.531 40.778 39.000 0.411 0.000 1.307 200 F HN 0.493 nan 8.300 nan 0.000 0.450 201 G N 0.963 109.640 108.800 -0.204 0.000 2.601 201 G HA2 0.495 4.481 3.960 0.042 0.000 0.291 201 G HA3 0.495 4.481 3.960 0.042 0.000 0.291 201 G C -2.562 172.129 174.900 -0.347 0.000 1.456 201 G CA -0.780 43.812 45.100 -0.848 0.000 0.804 201 G HN 0.868 nan 8.290 nan 0.000 0.499 202 E N 0.224 120.172 120.200 -0.420 0.000 2.288 202 E HA 0.648 5.023 4.350 0.042 0.000 0.268 202 E C 0.641 177.189 176.600 -0.087 0.000 0.885 202 E CA 0.249 56.624 56.400 -0.042 0.000 0.767 202 E CB 2.227 32.040 29.700 0.187 0.000 1.220 202 E HN 0.830 nan 8.360 nan 0.000 0.427 203 S N 2.364 118.091 115.700 0.045 0.000 4.114 203 S HA -0.396 4.099 4.470 0.042 0.000 0.618 203 S C 1.474 176.166 174.600 0.153 0.000 1.937 203 S CA 2.135 60.432 58.200 0.162 0.000 4.228 203 S CB -1.602 61.632 63.200 0.057 0.000 0.216 203 S HN 0.932 nan 8.310 nan 0.000 0.528 204 A N 1.045 123.803 122.820 -0.103 0.000 1.940 204 A HA 0.116 4.462 4.320 0.042 0.000 0.219 204 A C 2.517 179.826 177.584 -0.458 0.000 1.176 204 A CA 2.588 54.348 52.037 -0.462 0.000 0.631 204 A CB -1.620 16.667 19.000 -1.187 0.000 0.814 204 A HN 1.605 nan 8.150 nan 0.000 0.446 205 G N -0.510 108.069 108.800 -0.368 0.000 2.418 205 G HA2 -0.021 3.964 3.960 0.042 0.000 0.217 205 G HA3 -0.021 3.964 3.960 0.042 0.000 0.217 205 G C 1.748 176.473 174.900 -0.293 0.000 1.158 205 G CA 1.473 46.315 45.100 -0.430 0.000 0.771 205 G HN 0.810 nan 8.290 nan 0.000 0.545 206 A N 1.199 123.922 122.820 -0.162 0.000 1.902 206 A HA 0.268 4.613 4.320 0.042 0.000 0.217 206 A C 2.830 180.406 177.584 -0.013 0.000 1.181 206 A CA 2.260 54.269 52.037 -0.047 0.000 0.623 206 A CB -0.828 18.204 19.000 0.054 0.000 0.818 206 A HN 0.822 nan 8.150 nan 0.000 0.443 207 A N -0.354 122.487 122.820 0.035 0.000 1.940 207 A HA -0.082 4.263 4.320 0.042 0.000 0.219 207 A C 2.433 180.040 177.584 0.038 0.000 1.176 207 A CA 2.128 54.185 52.037 0.032 0.000 0.631 207 A CB -0.837 18.212 19.000 0.082 0.000 0.814 207 A HN 0.477 nan 8.150 nan 0.000 0.446 208 S N -0.268 115.446 115.700 0.022 0.000 2.348 208 S HA -0.151 4.344 4.470 0.042 0.000 0.221 208 S C 1.910 176.498 174.600 -0.021 0.000 1.033 208 S CA 1.430 59.610 58.200 -0.032 0.000 1.010 208 S CB -0.743 62.374 63.200 -0.139 0.000 0.891 208 S HN 0.350 nan 8.310 nan 0.000 0.442 209 V N 2.093 121.989 119.914 -0.030 0.000 2.250 209 V HA -0.268 3.877 4.120 0.042 0.000 0.250 209 V C 2.682 178.778 176.094 0.004 0.000 1.060 209 V CA 2.132 64.413 62.300 -0.032 0.000 1.030 209 V CB -1.717 30.059 31.823 -0.078 0.000 0.643 209 V HN 0.619 nan 8.190 nan 0.000 0.445 210 G N -1.028 107.771 108.800 -0.003 0.000 2.469 210 G HA2 -0.332 3.654 3.960 0.042 0.000 0.219 210 G HA3 -0.332 3.654 3.960 0.042 0.000 0.219 210 G C 1.610 176.538 174.900 0.045 0.000 1.150 210 G CA 1.431 46.536 45.100 0.008 0.000 0.763 210 G HN 0.475 nan 8.290 nan 0.000 0.561 211 M N -0.339 119.268 119.600 0.012 0.000 2.229 211 M HA 0.011 4.517 4.480 0.042 0.000 0.264 211 M C 2.313 178.688 176.300 0.126 0.000 1.063 211 M CA 0.911 56.243 55.300 0.054 0.000 1.114 211 M CB -0.239 32.348 32.600 -0.022 0.000 1.387 211 M HN 0.225 nan 8.290 nan 0.000 0.420 212 H N -0.215 118.976 119.070 0.202 0.000 2.423 212 H HA -0.011 4.570 4.556 0.042 0.000 0.297 212 H C 2.110 177.660 175.328 0.370 0.000 1.075 212 H CA 1.374 57.558 56.048 0.228 0.000 1.342 212 H CB -0.272 29.507 29.762 0.028 0.000 1.395 212 H HN 0.419 nan 8.280 nan 0.000 0.530 213 I N 0.685 121.516 120.570 0.434 0.000 2.315 213 I HA -0.226 3.970 4.170 0.042 0.000 0.248 213 I C 1.879 178.192 176.117 0.327 0.000 1.117 213 I CA 0.995 62.570 61.300 0.458 0.000 1.404 213 I CB -0.058 38.121 38.000 0.298 0.000 1.071 213 I HN 0.110 nan 8.210 nan 0.000 0.419 214 L N -0.747 120.618 121.223 0.237 0.000 2.591 214 L HA 0.093 4.458 4.340 0.042 0.000 0.228 214 L C 0.794 177.715 176.870 0.084 0.000 1.133 214 L CA 0.074 55.023 54.840 0.182 0.000 0.880 214 L CB -0.063 42.086 42.059 0.149 0.000 1.033 214 L HN 0.032 nan 8.230 nan 0.000 0.450 215 S N -0.424 115.298 115.700 0.035 0.000 2.640 215 S HA 0.281 4.776 4.470 0.042 0.000 0.320 215 S C 0.633 175.157 174.600 -0.126 0.000 1.097 215 S CA -0.616 57.486 58.200 -0.165 0.000 1.092 215 S CB 1.499 64.340 63.200 -0.599 0.000 0.988 215 S HN 0.124 nan 8.310 nan 0.000 0.470 216 L N 6.854 128.007 121.223 -0.117 0.000 2.013 216 L HA 0.027 4.393 4.340 0.042 0.000 0.212 216 L C -0.978 175.837 176.870 -0.091 0.000 1.073 216 L CA 2.176 56.963 54.840 -0.089 0.000 0.753 216 L CB -0.841 41.169 42.059 -0.081 0.000 0.890 216 L HN 0.515 nan 8.230 nan 0.000 0.432 217 P HA -0.094 nan 4.420 nan 0.000 0.221 217 P C 1.578 178.860 177.300 -0.030 0.000 1.145 217 P CA 1.234 64.287 63.100 -0.078 0.000 0.795 217 P CB 0.063 31.707 31.700 -0.094 0.000 0.775 218 S N -1.053 114.649 115.700 0.002 0.000 2.446 218 S HA -0.004 4.492 4.470 0.042 0.000 0.225 218 S C 1.830 176.513 174.600 0.138 0.000 1.016 218 S CA 0.482 58.787 58.200 0.176 0.000 0.943 218 S CB -0.337 63.119 63.200 0.427 0.000 0.786 218 S HN 0.079 nan 8.310 nan 0.000 0.508 219 R N 2.009 122.485 120.500 -0.040 0.000 2.127 219 R HA -0.021 4.344 4.340 0.042 0.000 0.238 219 R C 2.252 178.305 176.300 -0.411 0.000 1.134 219 R CA 1.438 57.340 56.100 -0.331 0.000 0.975 219 R CB -1.318 28.849 30.300 -0.222 0.000 0.865 219 R HN 0.568 nan 8.270 nan 0.000 0.447 220 S N 0.045 115.616 115.700 -0.216 0.000 2.660 220 S HA 0.085 4.580 4.470 0.042 0.000 0.223 220 S C 1.604 176.092 174.600 -0.187 0.000 0.963 220 S CA 0.238 58.320 58.200 -0.197 0.000 0.932 220 S CB -0.213 62.924 63.200 -0.105 0.000 0.775 220 S HN 0.231 nan 8.310 nan 0.000 0.531 221 L N 0.069 121.203 121.223 -0.148 0.000 2.766 221 L HA 0.495 4.861 4.340 0.042 0.000 0.242 221 L C -0.024 176.890 176.870 0.074 0.000 1.136 221 L CA -0.358 54.481 54.840 -0.001 0.000 0.933 221 L CB 0.038 42.157 42.059 0.100 0.000 1.241 221 L HN 0.502 nan 8.230 nan 0.000 0.522 222 F N -4.027 115.756 119.950 -0.278 0.000 2.711 222 F HA 0.485 5.038 4.527 0.042 0.000 0.313 222 F C 0.467 175.987 175.800 -0.466 0.000 1.141 222 F CA -0.986 56.849 58.000 -0.275 0.000 0.941 222 F CB 0.846 39.806 39.000 -0.068 0.000 1.349 222 F HN -0.138 nan 8.300 nan 0.000 0.464 223 H N -0.697 118.448 119.070 0.125 0.000 3.205 223 H HA 0.454 5.036 4.556 0.042 0.000 0.252 223 H C -0.120 175.251 175.328 0.071 0.000 1.015 223 H CA -0.079 55.965 56.048 -0.007 0.000 1.192 223 H CB 1.073 30.822 29.762 -0.022 0.000 1.474 223 H HN 0.438 nan 8.280 nan 0.000 0.484 224 R N 0.183 120.877 120.500 0.323 0.000 2.781 224 R HA 0.734 5.099 4.340 0.042 0.000 0.269 224 R C -1.422 175.121 176.300 0.406 0.000 1.025 224 R CA -0.702 55.548 56.100 0.252 0.000 0.914 224 R CB 2.761 32.995 30.300 -0.109 0.000 1.236 224 R HN 0.126 nan 8.270 nan 0.000 0.465 225 A N 0.743 123.820 122.820 0.429 0.000 2.572 225 A HA 0.711 5.056 4.320 0.042 0.000 0.295 225 A C -1.569 176.192 177.584 0.294 0.000 1.072 225 A CA -0.601 51.622 52.037 0.311 0.000 0.691 225 A CB 1.994 21.127 19.000 0.220 0.000 1.291 225 A HN 0.282 nan 8.150 nan 0.000 0.404 226 V N 1.586 121.622 119.914 0.205 0.000 2.577 226 V HA 0.538 4.684 4.120 0.042 0.000 0.303 226 V C -1.290 174.897 176.094 0.155 0.000 1.042 226 V CA -0.290 62.070 62.300 0.100 0.000 0.872 226 V CB 1.412 33.332 31.823 0.162 0.000 0.998 226 V HN 0.695 nan 8.190 nan 0.000 0.423 227 L N 4.932 126.214 121.223 0.099 0.000 2.342 227 L HA 0.547 4.912 4.340 0.042 0.000 0.276 227 L C -0.115 176.848 176.870 0.155 0.000 0.997 227 L CA 0.000 54.896 54.840 0.093 0.000 0.838 227 L CB 1.690 43.762 42.059 0.021 0.000 1.224 227 L HN 0.622 nan 8.230 nan 0.000 0.416 228 Q N 1.877 121.822 119.800 0.241 0.000 2.347 228 Q HA 0.459 4.824 4.340 0.042 0.000 0.262 228 Q C 0.262 176.401 176.000 0.232 0.000 0.980 228 Q CA -0.512 55.493 55.803 0.337 0.000 0.867 228 Q CB 1.439 30.470 28.738 0.487 0.000 1.242 228 Q HN 0.630 nan 8.270 nan 0.000 0.453 229 S N 0.935 116.760 115.700 0.209 0.000 3.587 229 S HA -0.176 4.319 4.470 0.042 0.000 0.337 229 S C 0.003 174.807 174.600 0.340 0.000 1.119 229 S CA 0.633 58.990 58.200 0.263 0.000 0.976 229 S CB -1.091 62.270 63.200 0.269 0.000 0.922 229 S HN 0.976 nan 8.310 nan 0.000 0.503 230 G N -0.505 108.447 108.800 0.253 0.000 2.616 230 G HA2 0.642 4.627 3.960 0.042 0.000 0.294 230 G HA3 0.642 4.627 3.960 0.042 0.000 0.294 230 G C -0.935 174.040 174.900 0.125 0.000 1.489 230 G CA 0.235 45.531 45.100 0.327 0.000 0.836 230 G HN 0.926 nan 8.290 nan 0.000 0.527 231 T N -1.343 113.226 114.554 0.025 0.000 2.894 231 T HA 0.737 5.112 4.350 0.042 0.000 0.309 231 T C -2.430 172.139 174.700 -0.218 0.000 1.208 231 T CA -1.351 60.689 62.100 -0.101 0.000 1.016 231 T CB 3.052 71.843 68.868 -0.127 0.000 1.192 231 T HN 0.265 nan 8.240 nan 0.000 0.491 232 P HA 0.017 nan 4.420 nan 0.000 0.224 232 P C 0.310 177.464 177.300 -0.243 0.000 1.157 232 P CA 0.542 63.530 63.100 -0.187 0.000 0.799 232 P CB -0.068 31.576 31.700 -0.093 0.000 0.809 233 N N 0.748 119.322 118.700 -0.211 0.000 2.347 233 N HA 0.278 5.043 4.740 0.042 0.000 0.253 233 N C 0.830 176.146 175.510 -0.322 0.000 1.274 233 N CA 0.682 53.604 53.050 -0.214 0.000 0.941 233 N CB -0.056 38.344 38.487 -0.144 0.000 1.200 233 N HN 0.205 nan 8.380 nan 0.000 0.514 234 G N -0.927 107.700 108.800 -0.287 0.000 2.592 234 G HA2 -0.121 3.864 3.960 0.042 0.000 0.684 234 G HA3 -0.121 3.864 3.960 0.042 0.000 0.684 234 G C -2.316 172.351 174.900 -0.388 0.000 1.291 234 G CA -0.204 44.682 45.100 -0.357 0.000 0.891 234 G HN 0.556 nan 8.290 nan 0.000 0.544 235 P HA 0.153 nan 4.420 nan 0.000 0.245 235 P C 1.351 178.589 177.300 -0.105 0.000 1.206 235 P CA 1.820 64.784 63.100 -0.227 0.000 0.781 235 P CB -0.049 31.487 31.700 -0.274 0.000 0.994 236 W N -1.946 119.276 121.300 -0.129 0.000 2.741 236 W HA 0.593 5.278 4.660 0.042 0.000 0.317 236 W C 0.913 177.512 176.519 0.133 0.000 1.029 236 W CA 0.419 57.769 57.345 0.007 0.000 1.511 236 W CB -0.711 28.802 29.460 0.090 0.000 1.025 236 W HN -0.165 nan 8.180 nan 0.000 0.554 237 A N 1.919 124.404 122.820 -0.558 0.000 2.072 237 A HA 0.135 4.481 4.320 0.042 0.000 0.216 237 A C 1.202 178.603 177.584 -0.303 0.000 1.156 237 A CA 1.807 53.562 52.037 -0.471 0.000 0.701 237 A CB -0.734 17.729 19.000 -0.895 0.000 0.816 237 A HN 0.217 nan 8.150 nan 0.000 0.458 238 T N -3.062 111.340 114.554 -0.254 0.000 2.887 238 T HA 0.639 5.014 4.350 0.042 0.000 0.292 238 T C -0.574 174.044 174.700 -0.136 0.000 1.087 238 T CA -0.106 61.866 62.100 -0.214 0.000 1.009 238 T CB 1.451 70.207 68.868 -0.187 0.000 1.203 238 T HN 0.884 nan 8.240 nan 0.000 0.518 239 V N -1.206 118.638 119.914 -0.117 0.000 3.102 239 V HA 0.898 5.044 4.120 0.042 0.000 0.312 239 V C 0.253 176.308 176.094 -0.065 0.000 1.135 239 V CA -0.839 61.412 62.300 -0.082 0.000 1.022 239 V CB 1.323 33.101 31.823 -0.076 0.000 1.056 239 V HN 1.375 nan 8.190 nan 0.000 0.436 240 S N 1.622 117.290 115.700 -0.053 0.000 2.593 240 S HA 0.588 5.084 4.470 0.042 0.000 0.269 240 S C 1.410 175.992 174.600 -0.030 0.000 1.334 240 S CA 0.117 58.294 58.200 -0.039 0.000 1.015 240 S CB 1.236 64.415 63.200 -0.036 0.000 0.912 240 S HN 1.982 nan 8.310 nan 0.000 0.541 241 A N 2.566 125.374 122.820 -0.019 0.000 1.883 241 A HA 0.065 4.410 4.320 0.042 0.000 0.217 241 A C 2.254 179.830 177.584 -0.013 0.000 1.186 241 A CA 1.936 53.967 52.037 -0.010 0.000 0.624 241 A CB -1.925 17.073 19.000 -0.004 0.000 0.822 241 A HN 1.226 nan 8.150 nan 0.000 0.444 242 G N -0.568 108.222 108.800 -0.018 0.000 2.440 242 G HA2 -0.280 3.705 3.960 0.042 0.000 0.218 242 G HA3 -0.280 3.705 3.960 0.042 0.000 0.218 242 G C 1.479 176.364 174.900 -0.025 0.000 1.154 242 G CA 1.469 46.557 45.100 -0.020 0.000 0.767 242 G HN 0.609 nan 8.290 nan 0.000 0.552 243 E N 0.714 120.894 120.200 -0.033 0.000 2.152 243 E HA 0.177 4.552 4.350 0.042 0.000 0.192 243 E C 2.591 179.161 176.600 -0.049 0.000 0.983 243 E CA 1.212 57.584 56.400 -0.046 0.000 0.818 243 E CB -0.423 29.243 29.700 -0.056 0.000 0.758 243 E HN 0.281 nan 8.360 nan 0.000 0.467 244 A N 0.821 123.623 122.820 -0.031 0.000 1.930 244 A HA -0.122 4.224 4.320 0.042 0.000 0.217 244 A C 2.243 179.839 177.584 0.020 0.000 1.175 244 A CA 1.486 53.521 52.037 -0.003 0.000 0.627 244 A CB -0.539 18.479 19.000 0.031 0.000 0.815 244 A HN 0.254 nan 8.150 nan 0.000 0.443 245 R N -0.511 119.991 120.500 0.003 0.000 2.096 245 R HA -0.103 4.263 4.340 0.042 0.000 0.235 245 R C 2.396 178.695 176.300 -0.002 0.000 1.127 245 R CA 1.486 57.586 56.100 0.000 0.000 0.968 245 R CB -0.281 30.014 30.300 -0.008 0.000 0.861 245 R HN 0.492 nan 8.270 nan 0.000 0.440 246 R N 0.391 120.883 120.500 -0.014 0.000 2.075 246 R HA -0.080 4.285 4.340 0.042 0.000 0.232 246 R C 2.161 178.453 176.300 -0.013 0.000 1.126 246 R CA 1.526 57.615 56.100 -0.019 0.000 0.963 246 R CB -0.019 30.262 30.300 -0.032 0.000 0.858 246 R HN 0.266 nan 8.270 nan 0.000 0.435 247 R N -0.260 120.224 120.500 -0.027 0.000 2.073 247 R HA -0.000 4.365 4.340 0.042 0.000 0.229 247 R C 2.341 178.714 176.300 0.121 0.000 1.120 247 R CA 1.159 57.238 56.100 -0.035 0.000 0.967 247 R CB -0.279 29.876 30.300 -0.241 0.000 0.862 247 R HN 0.192 nan 8.270 nan 0.000 0.436 248 A N 0.849 123.769 122.820 0.166 0.000 1.858 248 A HA -0.150 4.196 4.320 0.042 0.000 0.216 248 A C 2.191 179.803 177.584 0.047 0.000 1.190 248 A CA 1.964 54.094 52.037 0.155 0.000 0.617 248 A CB -0.996 18.035 19.000 0.051 0.000 0.827 248 A HN 0.268 nan 8.150 nan 0.000 0.443 249 T N 0.211 114.776 114.554 0.018 0.000 2.699 249 T HA -0.189 4.187 4.350 0.042 0.000 0.268 249 T C 1.804 176.508 174.700 0.008 0.000 1.036 249 T CA 1.680 63.779 62.100 -0.001 0.000 1.147 249 T CB -0.385 68.480 68.868 -0.006 0.000 0.862 249 T HN 0.308 nan 8.240 nan 0.000 0.446 250 L N 0.715 121.952 121.223 0.023 0.000 2.072 250 L HA 0.178 4.544 4.340 0.042 0.000 0.205 250 L C 2.154 179.046 176.870 0.037 0.000 1.079 250 L CA 1.322 56.176 54.840 0.023 0.000 0.752 250 L CB -0.921 41.150 42.059 0.020 0.000 0.906 250 L HN 0.175 nan 8.230 nan 0.000 0.436 251 L N -0.088 121.185 121.223 0.082 0.000 2.046 251 L HA -0.118 4.247 4.340 0.042 0.000 0.208 251 L C 2.519 179.391 176.870 0.004 0.000 1.077 251 L CA 2.052 56.944 54.840 0.087 0.000 0.747 251 L CB -0.928 41.237 42.059 0.178 0.000 0.896 251 L HN 0.291 nan 8.230 nan 0.000 0.432 252 A N -0.492 122.323 122.820 -0.008 0.000 1.865 252 A HA -0.282 4.063 4.320 0.042 0.000 0.217 252 A C 2.526 180.089 177.584 -0.034 0.000 1.191 252 A CA 1.992 54.012 52.037 -0.028 0.000 0.623 252 A CB -0.755 18.226 19.000 -0.032 0.000 0.826 252 A HN 0.483 nan 8.150 nan 0.000 0.444 253 R N -0.628 119.856 120.500 -0.028 0.000 2.103 253 R HA -0.130 4.235 4.340 0.042 0.000 0.242 253 R C 2.031 178.292 176.300 -0.064 0.000 1.142 253 R CA 1.689 57.770 56.100 -0.032 0.000 0.960 253 R CB -0.446 29.843 30.300 -0.019 0.000 0.858 253 R HN 0.578 nan 8.270 nan 0.000 0.439 254 L N 0.348 121.511 121.223 -0.099 0.000 2.201 254 L HA -0.108 4.257 4.340 0.042 0.000 0.212 254 L C 1.790 178.438 176.870 -0.370 0.000 1.105 254 L CA 0.780 55.476 54.840 -0.241 0.000 0.775 254 L CB 0.028 41.922 42.059 -0.274 0.000 0.913 254 L HN 0.175 nan 8.230 nan 0.000 0.440 255 V N -4.143 115.646 119.914 -0.208 0.000 3.271 255 V HA 0.526 4.672 4.120 0.042 0.000 0.327 255 V C 1.121 177.190 176.094 -0.042 0.000 1.389 255 V CA 0.218 62.448 62.300 -0.118 0.000 1.156 255 V CB -0.191 31.613 31.823 -0.031 0.000 1.103 255 V HN 0.423 nan 8.190 nan 0.000 0.453 256 G N -0.377 108.397 108.800 -0.044 0.000 2.141 256 G HA2 -0.231 3.754 3.960 0.042 0.000 0.242 256 G HA3 -0.231 3.754 3.960 0.042 0.000 0.242 256 G C 0.052 174.948 174.900 -0.007 0.000 0.982 256 G CA -0.035 45.056 45.100 -0.015 0.000 0.662 256 G HN 0.693 nan 8.290 nan 0.000 0.527 257 c N 2.063 120.656 118.600 -0.012 0.000 2.351 257 c HA 0.779 5.375 4.570 0.042 0.000 0.326 257 c C -1.571 172.513 174.090 -0.010 0.000 1.272 257 c CA -1.328 54.998 56.329 -0.005 0.000 1.650 257 c CB 1.655 44.164 42.510 -0.001 0.000 2.257 257 c HN 0.436 nan 8.230 nan 0.000 0.505 258 P HA 0.495 nan 4.420 nan 0.000 0.285 258 P C -2.369 174.931 177.300 0.001 0.000 1.280 258 P CA -1.194 61.906 63.100 -0.000 0.000 0.862 258 P CB 0.026 31.726 31.700 -0.000 0.000 1.153 266 D N -0.040 120.356 120.400 -0.006 0.000 2.117 266 D HA -0.090 4.575 4.640 0.042 0.000 0.197 266 D C 1.071 177.367 176.300 -0.006 0.000 0.987 266 D CA 2.218 56.211 54.000 -0.012 0.000 0.829 266 D CB -0.425 40.368 40.800 -0.012 0.000 0.961 266 D HN 0.716 nan 8.370 nan 0.000 0.460 267 T N 1.027 115.583 114.554 0.004 0.000 2.684 267 T HA -0.161 4.214 4.350 0.042 0.000 0.267 267 T C 1.837 176.546 174.700 0.015 0.000 1.036 267 T CA 1.327 63.434 62.100 0.013 0.000 1.148 267 T CB -0.249 68.628 68.868 0.014 0.000 0.863 267 T HN 0.301 nan 8.240 nan 0.000 0.436 268 E N 0.593 120.799 120.200 0.010 0.000 2.031 268 E HA -0.061 4.314 4.350 0.042 0.000 0.193 268 E C 2.254 178.860 176.600 0.010 0.000 0.994 268 E CA 0.832 57.238 56.400 0.011 0.000 0.800 268 E CB -0.318 29.386 29.700 0.007 0.000 0.752 268 E HN 0.328 nan 8.360 nan 0.000 0.447 269 L N 0.892 122.114 121.223 -0.001 0.000 2.012 269 L HA -0.227 4.138 4.340 0.042 0.000 0.210 269 L C 2.228 179.093 176.870 -0.010 0.000 1.073 269 L CA 1.401 56.234 54.840 -0.012 0.000 0.748 269 L CB -0.095 41.947 42.059 -0.028 0.000 0.891 269 L HN 0.134 nan 8.230 nan 0.000 0.431 270 I N -0.510 120.056 120.570 -0.007 0.000 2.439 270 I HA -0.195 4.001 4.170 0.042 0.000 0.251 270 I C 2.663 178.839 176.117 0.099 0.000 1.139 270 I CA 0.905 62.219 61.300 0.022 0.000 1.438 270 I CB -0.477 37.531 38.000 0.014 0.000 1.085 270 I HN 0.297 nan 8.210 nan 0.000 0.427 271 A N -0.320 122.539 122.820 0.066 0.000 1.933 271 A HA -0.282 4.063 4.320 0.042 0.000 0.218 271 A C 2.497 180.119 177.584 0.064 0.000 1.175 271 A CA 1.922 53.998 52.037 0.065 0.000 0.628 271 A CB -1.278 17.748 19.000 0.042 0.000 0.814 271 A HN 0.610 nan 8.150 nan 0.000 0.444 272 c N -0.779 117.851 118.600 0.051 0.000 2.457 272 c HA 0.115 4.710 4.570 0.042 0.000 0.278 272 c C 2.558 176.686 174.090 0.063 0.000 1.309 272 c CA 0.832 57.188 56.329 0.044 0.000 1.735 272 c CB -1.532 40.994 42.510 0.026 0.000 1.992 272 c HN 0.585 nan 8.230 nan 0.000 0.493 273 L N 0.321 121.597 121.223 0.087 0.000 2.079 273 L HA -0.133 4.232 4.340 0.042 0.000 0.210 273 L C 2.951 179.934 176.870 0.188 0.000 1.081 273 L CA 1.572 56.498 54.840 0.143 0.000 0.752 273 L CB -0.648 41.508 42.059 0.160 0.000 0.896 273 L HN 0.337 nan 8.230 nan 0.000 0.433 274 R N -0.530 120.079 120.500 0.182 0.000 2.189 274 R HA -0.127 4.239 4.340 0.042 0.000 0.223 274 R C 2.154 178.477 176.300 0.039 0.000 1.092 274 R CA 1.649 57.805 56.100 0.095 0.000 0.989 274 R CB -0.130 30.220 30.300 0.084 0.000 0.876 274 R HN 0.486 nan 8.270 nan 0.000 0.457 275 T N -1.689 112.893 114.554 0.046 0.000 3.113 275 T HA 0.122 4.497 4.350 0.042 0.000 0.256 275 T C 0.741 175.456 174.700 0.026 0.000 1.131 275 T CA -0.017 62.099 62.100 0.028 0.000 1.074 275 T CB 0.136 69.021 68.868 0.027 0.000 0.944 275 T HN -0.126 nan 8.240 nan 0.000 0.516 276 R N 2.613 123.137 120.500 0.039 0.000 2.265 276 R HA 0.398 4.764 4.340 0.042 0.000 0.314 276 R C -2.708 173.609 176.300 0.028 0.000 1.053 276 R CA -2.587 53.537 56.100 0.041 0.000 0.931 276 R CB 0.254 30.589 30.300 0.058 0.000 1.024 276 R HN 0.232 nan 8.270 nan 0.000 0.457 277 P HA -0.094 nan 4.420 nan 0.000 0.264 277 P C 0.403 177.694 177.300 -0.015 0.000 1.179 277 P CA 0.379 63.469 63.100 -0.017 0.000 0.763 277 P CB 0.567 32.265 31.700 -0.002 0.000 0.806 278 A N 3.038 125.778 122.820 -0.134 0.000 1.917 278 A HA -0.279 4.066 4.320 0.042 0.000 0.219 278 A C 2.134 179.723 177.584 0.009 0.000 1.182 278 A CA 1.966 53.917 52.037 -0.143 0.000 0.633 278 A CB -1.145 17.261 19.000 -0.991 0.000 0.819 278 A HN 0.539 nan 8.150 nan 0.000 0.448 279 Q N 0.004 119.785 119.800 -0.032 0.000 2.224 279 Q HA -0.141 4.224 4.340 0.042 0.000 0.203 279 Q C 1.236 177.350 176.000 0.190 0.000 0.970 279 Q CA 1.826 57.767 55.803 0.230 0.000 0.865 279 Q CB -0.396 28.480 28.738 0.230 0.000 0.922 279 Q HN 0.637 nan 8.270 nan 0.000 0.445 280 D N -0.750 119.730 120.400 0.135 0.000 2.123 280 D HA -0.158 4.507 4.640 0.042 0.000 0.196 280 D C 1.407 177.815 176.300 0.180 0.000 0.992 280 D CA 0.864 54.955 54.000 0.152 0.000 0.833 280 D CB -0.049 40.824 40.800 0.122 0.000 0.954 280 D HN 0.217 nan 8.370 nan 0.000 0.455 281 L N 0.125 121.434 121.223 0.145 0.000 2.027 281 L HA -0.089 4.276 4.340 0.042 0.000 0.206 281 L C 2.470 179.419 176.870 0.131 0.000 1.074 281 L CA 0.894 55.784 54.840 0.083 0.000 0.745 281 L CB -0.921 41.083 42.059 -0.092 0.000 0.898 281 L HN -0.023 nan 8.230 nan 0.000 0.433 282 V N -0.344 119.713 119.914 0.238 0.000 2.407 282 V HA -0.278 3.867 4.120 0.042 0.000 0.248 282 V C 2.175 178.370 176.094 0.169 0.000 1.055 282 V CA 1.559 64.031 62.300 0.286 0.000 1.049 282 V CB -0.608 31.489 31.823 0.456 0.000 0.662 282 V HN 0.373 nan 8.190 nan 0.000 0.455 283 D N -0.802 119.668 120.400 0.117 0.000 2.158 283 D HA -0.160 4.505 4.640 0.042 0.000 0.197 283 D C 1.850 177.957 176.300 -0.323 0.000 0.995 283 D CA 1.406 55.371 54.000 -0.058 0.000 0.846 283 D CB -0.190 40.569 40.800 -0.068 0.000 0.941 283 D HN 0.536 nan 8.370 nan 0.000 0.456 284 H N -0.771 118.248 119.070 -0.086 0.000 2.672 284 H HA 0.159 4.740 4.556 0.042 0.000 0.277 284 H C 1.407 176.666 175.328 -0.115 0.000 1.074 284 H CA -0.086 55.817 56.048 -0.241 0.000 1.173 284 H CB 0.761 30.495 29.762 -0.046 0.000 1.558 284 H HN 0.281 nan 8.280 nan 0.000 0.539 285 E N 0.557 120.817 120.200 0.100 0.000 2.085 285 E HA -0.198 4.177 4.350 0.042 0.000 0.194 285 E C 1.735 178.476 176.600 0.235 0.000 0.994 285 E CA 0.904 57.458 56.400 0.256 0.000 0.801 285 E CB 0.053 29.905 29.700 0.253 0.000 0.743 285 E HN 0.352 nan 8.360 nan 0.000 0.453 286 W N 1.175 122.422 121.300 -0.088 0.000 2.363 286 W HA -0.143 4.542 4.660 0.041 0.000 0.296 286 W C 1.516 178.113 176.519 0.130 0.000 1.212 286 W CA 1.819 59.148 57.345 -0.026 0.000 1.260 286 W CB -0.381 29.065 29.460 -0.023 0.000 1.131 286 W HN 0.264 nan 8.180 nan 0.000 0.530 287 H N -0.930 118.231 119.070 0.153 0.000 2.563 287 H HA -0.001 4.581 4.556 0.042 0.000 0.272 287 H C 1.773 177.077 175.328 -0.040 0.000 1.005 287 H CA 0.700 56.754 56.048 0.010 0.000 1.171 287 H CB -0.159 29.695 29.762 0.154 0.000 1.351 287 H HN 0.161 nan 8.280 nan 0.000 0.602 288 V N -1.758 118.188 119.914 0.054 0.000 3.621 288 V HA 0.154 4.300 4.120 0.042 0.000 0.285 288 V C 0.605 176.628 176.094 -0.118 0.000 1.346 288 V CA -0.136 62.149 62.300 -0.025 0.000 1.104 288 V CB -0.345 31.465 31.823 -0.022 0.000 0.913 288 V HN 0.131 nan 8.190 nan 0.000 0.432 289 L N 2.544 123.672 121.223 -0.159 0.000 2.453 289 L HA 0.238 4.603 4.340 0.042 0.000 0.272 289 L C -0.361 176.414 176.870 -0.159 0.000 1.182 289 L CA -0.968 53.763 54.840 -0.181 0.000 0.858 289 L CB 0.784 42.707 42.059 -0.227 0.000 1.120 289 L HN 0.148 nan 8.230 nan 0.000 0.474 290 P HA -0.070 nan 4.420 nan 0.000 0.222 290 P C -0.079 177.159 177.300 -0.103 0.000 1.153 290 P CA 0.988 64.027 63.100 -0.102 0.000 0.798 290 P CB 0.493 32.143 31.700 -0.084 0.000 0.796 291 Q N -1.057 118.673 119.800 -0.116 0.000 2.456 291 Q HA 0.315 4.680 4.340 0.042 0.000 0.283 291 Q C -0.657 175.261 176.000 -0.136 0.000 1.084 291 Q CA -0.734 55.006 55.803 -0.105 0.000 0.801 291 Q CB 1.955 30.648 28.738 -0.076 0.000 1.434 291 Q HN -0.058 nan 8.270 nan 0.000 0.419 292 E N 0.927 121.057 120.200 -0.117 0.000 2.480 292 E HA 0.235 4.610 4.350 0.042 0.000 0.258 292 E C -0.982 175.573 176.600 -0.075 0.000 0.984 292 E CA 0.212 56.546 56.400 -0.110 0.000 0.930 292 E CB 0.330 29.991 29.700 -0.066 0.000 0.936 292 E HN 0.586 nan 8.360 nan 0.000 0.466 293 S N 3.432 119.091 115.700 -0.069 0.000 2.643 293 S HA 0.655 5.150 4.470 0.042 0.000 0.270 293 S C -0.609 173.992 174.600 0.001 0.000 1.166 293 S CA -1.017 57.159 58.200 -0.041 0.000 0.815 293 S CB 0.684 63.839 63.200 -0.075 0.000 1.139 293 S HN 0.529 nan 8.310 nan 0.000 0.472 294 I N -3.314 117.254 120.570 -0.002 0.000 3.042 294 I HA 0.800 4.995 4.170 0.042 0.000 0.310 294 I C -0.303 175.766 176.117 -0.080 0.000 1.117 294 I CA -1.263 60.048 61.300 0.020 0.000 1.003 294 I CB 1.186 39.255 38.000 0.114 0.000 1.228 294 I HN 0.757 nan 8.210 nan 0.000 0.443 295 F N 1.589 121.290 119.950 -0.416 0.000 3.090 295 F HA -0.193 4.359 4.527 0.042 0.000 0.282 295 F C -0.228 174.991 175.800 -0.968 0.000 0.923 295 F CA 0.737 58.218 58.000 -0.866 0.000 0.977 295 F CB -0.579 37.866 39.000 -0.926 0.000 0.954 295 F HN 0.562 nan 8.300 nan 0.000 0.695 296 R N 0.240 120.258 120.500 -0.802 0.000 2.686 296 R HA 0.658 5.023 4.340 0.042 0.000 0.283 296 R C -1.085 174.775 176.300 -0.735 0.000 0.978 296 R CA -0.620 55.087 56.100 -0.656 0.000 0.897 296 R CB 1.509 31.663 30.300 -0.244 0.000 1.192 296 R HN -0.009 nan 8.270 nan 0.000 0.457 297 F N -0.736 119.285 119.950 0.119 0.000 2.556 297 F HA 0.332 4.884 4.527 0.042 0.000 0.314 297 F C 1.444 177.271 175.800 0.045 0.000 1.106 297 F CA -0.777 57.299 58.000 0.127 0.000 0.911 297 F CB 2.032 41.206 39.000 0.290 0.000 1.190 297 F HN 0.367 nan 8.300 nan 0.000 0.448 298 S N 0.998 116.806 115.700 0.179 0.000 2.368 298 S HA -0.006 4.490 4.470 0.042 0.000 0.224 298 S C -0.069 174.251 174.600 -0.466 0.000 1.029 298 S CA 1.221 59.315 58.200 -0.177 0.000 0.988 298 S CB -0.200 62.922 63.200 -0.131 0.000 0.838 298 S HN 0.367 nan 8.310 nan 0.000 0.462 299 F N 1.175 121.262 119.950 0.229 0.000 2.610 299 F HA 0.507 5.059 4.527 0.042 0.000 0.355 299 F C -0.176 175.690 175.800 0.109 0.000 1.140 299 F CA -0.996 57.125 58.000 0.201 0.000 1.037 299 F CB 1.435 40.592 39.000 0.263 0.000 1.287 299 F HN -0.132 nan 8.300 nan 0.000 0.457 300 V N 0.599 120.512 119.914 -0.002 0.000 3.141 300 V HA 0.782 4.927 4.120 0.042 0.000 0.312 300 V C -2.869 172.865 176.094 -0.600 0.000 1.157 300 V CA -3.357 58.605 62.300 -0.564 0.000 1.041 300 V CB 2.034 33.687 31.823 -0.284 0.000 1.071 300 V HN 0.248 nan 8.190 nan 0.000 0.441 301 P HA 0.135 nan 4.420 nan 0.000 0.265 301 P C -0.631 176.528 177.300 -0.236 0.000 1.187 301 P CA 0.450 63.276 63.100 -0.458 0.000 0.766 301 P CB 0.562 31.905 31.700 -0.594 0.000 0.820 302 V N 4.942 124.800 119.914 -0.094 0.000 2.547 302 V HA 0.223 4.369 4.120 0.042 0.000 0.299 302 V C -0.261 175.809 176.094 -0.041 0.000 1.040 302 V CA -0.851 61.418 62.300 -0.051 0.000 0.913 302 V CB 1.923 33.749 31.823 0.005 0.000 0.992 302 V HN 0.144 nan 8.190 nan 0.000 0.449 303 V N 7.634 127.526 119.914 -0.037 0.000 2.359 303 V HA 0.147 4.293 4.120 0.042 0.000 0.248 303 V C 0.908 177.007 176.094 0.008 0.000 1.091 303 V CA 0.461 62.753 62.300 -0.013 0.000 1.103 303 V CB 0.155 31.964 31.823 -0.023 0.000 1.176 303 V HN 1.076 nan 8.190 nan 0.000 0.488 304 D N 2.860 123.279 120.400 0.032 0.000 2.354 304 D HA 0.107 4.773 4.640 0.042 0.000 0.209 304 D C 1.577 177.902 176.300 0.042 0.000 1.015 304 D CA 0.826 54.851 54.000 0.041 0.000 0.867 304 D CB 0.378 41.216 40.800 0.063 0.000 0.933 304 D HN 0.677 nan 8.370 nan 0.000 0.520 305 G N 0.677 109.503 108.800 0.043 0.000 2.179 305 G HA2 -0.339 3.646 3.960 0.042 0.000 0.260 305 G HA3 -0.339 3.646 3.960 0.042 0.000 0.260 305 G C 0.570 175.495 174.900 0.043 0.000 0.977 305 G CA 0.761 45.881 45.100 0.034 0.000 0.641 305 G HN 0.546 nan 8.290 nan 0.000 0.533 306 D N -1.342 119.101 120.400 0.071 0.000 3.136 306 D HA 0.249 4.915 4.640 0.042 0.000 0.254 306 D C 1.809 178.171 176.300 0.104 0.000 1.563 306 D CA 0.537 54.584 54.000 0.079 0.000 1.225 306 D CB -0.512 40.342 40.800 0.090 0.000 1.079 306 D HN 0.113 nan 8.370 nan 0.000 0.314 307 F N 1.020 120.979 119.950 0.016 0.000 2.134 307 F HA 0.201 4.753 4.527 0.042 0.000 0.299 307 F C 0.497 176.299 175.800 0.004 0.000 1.097 307 F CA 1.118 59.127 58.000 0.015 0.000 1.264 307 F CB 0.154 39.163 39.000 0.014 0.000 1.001 307 F HN -0.031 nan 8.300 nan 0.000 0.479 308 L N 0.872 122.272 121.223 0.295 0.000 2.301 308 L HA 0.203 4.568 4.340 0.042 0.000 0.278 308 L C 1.344 178.262 176.870 0.081 0.000 1.022 308 L CA -0.236 54.705 54.840 0.170 0.000 0.854 308 L CB 1.324 43.468 42.059 0.141 0.000 1.226 308 L HN 0.056 nan 8.230 nan 0.000 0.429 309 S N 0.219 115.946 115.700 0.045 0.000 2.447 309 S HA -0.021 4.475 4.470 0.042 0.000 0.233 309 S C 0.482 175.092 174.600 0.017 0.000 1.006 309 S CA 0.538 58.752 58.200 0.023 0.000 0.957 309 S CB 0.150 63.352 63.200 0.003 0.000 0.773 309 S HN 0.692 nan 8.310 nan 0.000 0.507 310 D N 0.205 120.616 120.400 0.018 0.000 2.759 310 D HA 0.307 4.972 4.640 0.042 0.000 0.321 310 D C -0.805 175.499 176.300 0.006 0.000 1.267 310 D CA 0.017 54.022 54.000 0.008 0.000 0.933 310 D CB 1.351 42.153 40.800 0.004 0.000 1.431 310 D HN 0.213 nan 8.370 nan 0.000 0.504 311 T N -0.931 113.619 114.554 -0.006 0.000 2.903 311 T HA 0.211 4.586 4.350 0.042 0.000 0.314 311 T C -1.815 172.877 174.700 -0.013 0.000 1.078 311 T CA -0.670 61.418 62.100 -0.020 0.000 1.114 311 T CB 0.891 69.741 68.868 -0.031 0.000 0.987 311 T HN 0.112 nan 8.240 nan 0.000 0.548 312 P HA -0.060 nan 4.420 nan 0.000 0.218 312 P C 1.306 178.597 177.300 -0.015 0.000 1.148 312 P CA 0.930 64.017 63.100 -0.023 0.000 0.822 312 P CB 0.087 31.745 31.700 -0.070 0.000 0.784 313 E N -0.402 119.780 120.200 -0.030 0.000 2.051 313 E HA -0.125 4.250 4.350 0.042 0.000 0.192 313 E C 2.165 178.768 176.600 0.005 0.000 0.991 313 E CA 1.565 57.953 56.400 -0.019 0.000 0.799 313 E CB -1.101 28.580 29.700 -0.032 0.000 0.748 313 E HN 0.107 nan 8.360 nan 0.000 0.449 314 A N 0.430 123.251 122.820 0.003 0.000 1.933 314 A HA -0.133 4.213 4.320 0.042 0.000 0.218 314 A C 2.162 179.764 177.584 0.030 0.000 1.175 314 A CA 1.061 53.105 52.037 0.011 0.000 0.628 314 A CB -0.591 18.410 19.000 0.002 0.000 0.814 314 A HN 0.189 nan 8.150 nan 0.000 0.444 315 L N -0.187 121.060 121.223 0.042 0.000 2.093 315 L HA -0.137 4.228 4.340 0.042 0.000 0.208 315 L C 2.598 179.560 176.870 0.153 0.000 1.085 315 L CA 1.575 56.460 54.840 0.074 0.000 0.755 315 L CB -0.649 41.458 42.059 0.080 0.000 0.904 315 L HN 0.664 nan 8.230 nan 0.000 0.435 316 I N -2.971 117.687 120.570 0.148 0.000 2.439 316 I HA -0.125 4.071 4.170 0.042 0.000 0.251 316 I C 2.051 178.288 176.117 0.199 0.000 1.139 316 I CA 1.156 62.584 61.300 0.213 0.000 1.438 316 I CB -0.511 37.529 38.000 0.067 0.000 1.085 316 I HN 0.132 nan 8.210 nan 0.000 0.427 317 N N 1.449 120.213 118.700 0.106 0.000 2.223 317 N HA -0.136 4.629 4.740 0.042 0.000 0.185 317 N C 1.761 177.318 175.510 0.078 0.000 1.016 317 N CA 2.223 55.322 53.050 0.080 0.000 0.863 317 N CB -0.423 38.089 38.487 0.043 0.000 0.983 317 N HN 0.713 nan 8.380 nan 0.000 0.429 318 T N -4.060 110.531 114.554 0.062 0.000 3.040 318 T HA 0.342 4.717 4.350 0.042 0.000 0.266 318 T C 0.852 175.513 174.700 -0.065 0.000 1.005 318 T CA -0.403 61.701 62.100 0.007 0.000 0.906 318 T CB 0.124 68.986 68.868 -0.010 0.000 1.082 318 T HN 0.059 nan 8.240 nan 0.000 0.531 319 G N 0.812 109.554 108.800 -0.097 0.000 2.569 319 G HA2 0.410 4.396 3.960 0.042 0.000 0.249 319 G HA3 0.410 4.396 3.960 0.042 0.000 0.249 319 G C -1.021 173.463 174.900 -0.692 0.000 1.216 319 G CA -0.379 44.411 45.100 -0.515 0.000 0.845 319 G HN 0.289 nan 8.290 nan 0.000 0.568 320 D N 0.217 120.183 120.400 -0.724 0.000 2.317 320 D HA 0.360 5.025 4.640 0.042 0.000 0.234 320 D C -0.408 175.513 176.300 -0.632 0.000 1.112 320 D CA -0.630 53.072 54.000 -0.497 0.000 0.840 320 D CB 0.728 41.377 40.800 -0.252 0.000 1.078 320 D HN 0.101 nan 8.370 nan 0.000 0.486 321 F N 2.176 122.130 119.950 0.007 0.000 2.791 321 F HA 0.183 4.736 4.527 0.043 0.000 0.308 321 F C 2.020 177.827 175.800 0.013 0.000 1.138 321 F CA -0.466 57.542 58.000 0.013 0.000 1.294 321 F CB 0.307 39.323 39.000 0.027 0.000 0.975 321 F HN 0.288 nan 8.300 nan 0.000 0.512 322 Q N 0.606 120.465 119.800 0.099 0.000 1.998 322 Q HA -0.184 4.181 4.340 0.042 0.000 0.209 322 Q C 0.244 176.285 176.000 0.069 0.000 1.002 322 Q CA 1.648 57.492 55.803 0.068 0.000 0.858 322 Q CB -0.234 28.517 28.738 0.022 0.000 0.932 322 Q HN 0.396 nan 8.270 nan 0.000 0.416 323 D N 0.541 120.973 120.400 0.053 0.000 3.168 323 D HA 0.220 4.885 4.640 0.042 0.000 0.255 323 D C -0.466 175.872 176.300 0.063 0.000 1.314 323 D CA -0.026 54.002 54.000 0.046 0.000 0.900 323 D CB -0.095 40.718 40.800 0.021 0.000 1.072 323 D HN 0.002 nan 8.370 nan 0.000 0.487 324 L N 0.901 122.186 121.223 0.103 0.000 2.365 324 L HA 0.341 4.706 4.340 0.042 0.000 0.273 324 L C -1.056 175.893 176.870 0.133 0.000 1.000 324 L CA -0.498 54.419 54.840 0.128 0.000 0.819 324 L CB 2.146 44.318 42.059 0.188 0.000 1.284 324 L HN -0.202 nan 8.230 nan 0.000 0.418 325 Q N 3.301 123.194 119.800 0.155 0.000 2.316 325 Q HA 0.787 5.152 4.340 0.042 0.000 0.264 325 Q C -1.417 174.815 176.000 0.386 0.000 0.987 325 Q CA -0.491 55.452 55.803 0.233 0.000 0.852 325 Q CB 2.572 31.416 28.738 0.177 0.000 1.287 325 Q HN 0.484 nan 8.270 nan 0.000 0.448 326 V N 2.294 122.412 119.914 0.340 0.000 2.709 326 V HA 0.499 4.644 4.120 0.042 0.000 0.308 326 V C -1.349 174.720 176.094 -0.041 0.000 1.062 326 V CA -0.928 61.493 62.300 0.203 0.000 0.901 326 V CB 1.824 33.672 31.823 0.043 0.000 1.003 326 V HN 0.610 nan 8.190 nan 0.000 0.425 327 L N 6.531 127.508 121.223 -0.411 0.000 2.287 327 L HA 0.881 5.246 4.340 0.042 0.000 0.287 327 L C -0.361 176.363 176.870 -0.243 0.000 1.022 327 L CA -0.090 54.401 54.840 -0.583 0.000 0.814 327 L CB 1.542 42.811 42.059 -1.316 0.000 1.217 327 L HN 0.679 nan 8.230 nan 0.000 0.420 328 V N 2.211 122.041 119.914 -0.140 0.000 3.040 328 V HA 1.134 5.280 4.120 0.042 0.000 0.312 328 V C -0.213 175.623 176.094 -0.430 0.000 1.115 328 V CA 0.218 62.421 62.300 -0.162 0.000 0.998 328 V CB 1.273 32.984 31.823 -0.186 0.000 1.042 328 V HN 1.060 nan 8.190 nan 0.000 0.433 329 G N 0.693 109.097 108.800 -0.660 0.000 2.430 329 G HA2 0.758 4.744 3.960 0.042 0.000 0.300 329 G HA3 0.758 4.744 3.960 0.042 0.000 0.300 329 G C -1.180 173.419 174.900 -0.503 0.000 1.330 329 G CA 0.083 44.459 45.100 -1.205 0.000 0.813 329 G HN 2.086 nan 8.290 nan 0.000 0.487 330 V N -2.325 117.441 119.914 -0.247 0.000 3.130 330 V HA 0.924 5.069 4.120 0.042 0.000 0.310 330 V C 0.286 176.596 176.094 0.360 0.000 1.158 330 V CA -0.390 61.982 62.300 0.120 0.000 1.029 330 V CB 1.133 32.997 31.823 0.070 0.000 1.057 330 V HN 1.894 nan 8.190 nan 0.000 0.436 331 V N -0.246 119.894 119.914 0.375 0.000 3.109 331 V HA 0.571 4.716 4.120 0.042 0.000 0.317 331 V C 1.369 177.667 176.094 0.339 0.000 1.074 331 V CA 0.015 62.583 62.300 0.446 0.000 1.033 331 V CB 1.333 33.419 31.823 0.437 0.000 1.111 331 V HN 1.097 nan 8.190 nan 0.000 0.458 332 K N -0.207 120.389 120.400 0.325 0.000 2.209 332 K HA -0.048 4.297 4.320 0.042 0.000 0.204 332 K C 0.217 176.945 176.600 0.214 0.000 1.048 332 K CA 1.749 58.179 56.287 0.238 0.000 0.940 332 K CB 0.088 32.704 32.500 0.193 0.000 0.729 332 K HN 0.907 nan 8.250 nan 0.000 0.451 333 D N 0.963 121.502 120.400 0.231 0.000 2.739 333 D HA 0.028 4.693 4.640 0.042 0.000 0.335 333 D C 0.067 176.510 176.300 0.238 0.000 1.216 333 D CA -0.111 54.014 54.000 0.209 0.000 0.808 333 D CB 1.283 42.187 40.800 0.174 0.000 1.121 333 D HN 0.112 nan 8.370 nan 0.000 0.499 334 E N 0.615 120.966 120.200 0.251 0.000 2.097 334 E HA -0.136 4.240 4.350 0.042 0.000 0.196 334 E C 1.896 178.691 176.600 0.324 0.000 1.000 334 E CA 0.953 57.536 56.400 0.305 0.000 0.804 334 E CB 0.123 29.962 29.700 0.232 0.000 0.740 334 E HN 0.423 nan 8.360 nan 0.000 0.454 335 G N 0.713 109.659 108.800 0.244 0.000 2.939 335 G HA2 -0.093 3.892 3.960 0.042 0.000 0.210 335 G HA3 -0.093 3.892 3.960 0.042 0.000 0.210 335 G C 1.636 176.719 174.900 0.305 0.000 1.160 335 G CA 0.683 45.955 45.100 0.287 0.000 0.770 335 G HN 0.319 nan 8.290 nan 0.000 0.543 336 S N 1.497 117.337 115.700 0.233 0.000 2.353 336 S HA -0.041 4.455 4.470 0.042 0.000 0.222 336 S C 2.562 177.221 174.600 0.098 0.000 1.035 336 S CA 1.458 59.785 58.200 0.212 0.000 1.025 336 S CB -0.602 62.675 63.200 0.128 0.000 0.902 336 S HN 0.471 nan 8.310 nan 0.000 0.440 337 A N 0.327 123.085 122.820 -0.103 0.000 2.121 337 A HA 0.250 4.595 4.320 0.042 0.000 0.218 337 A C 1.774 179.243 177.584 -0.193 0.000 1.154 337 A CA 0.759 52.573 52.037 -0.372 0.000 0.679 337 A CB -0.944 17.603 19.000 -0.755 0.000 0.795 337 A HN 0.547 nan 8.150 nan 0.000 0.458 338 F N -0.077 119.881 119.950 0.014 0.000 2.407 338 F HA 0.020 4.572 4.527 0.041 0.000 0.299 338 F C 1.879 177.763 175.800 0.141 0.000 1.097 338 F CA 0.694 58.734 58.000 0.067 0.000 1.422 338 F CB -0.253 38.740 39.000 -0.012 0.000 1.067 338 F HN 0.111 nan 8.300 nan 0.000 0.539 339 L N -0.067 121.284 121.223 0.214 0.000 2.191 339 L HA -0.155 4.210 4.340 0.042 0.000 0.212 339 L C 2.281 179.211 176.870 0.099 0.000 1.103 339 L CA 0.972 55.793 54.840 -0.031 0.000 0.769 339 L CB -0.828 40.949 42.059 -0.469 0.000 0.908 339 L HN 0.175 nan 8.230 nan 0.000 0.438 340 V N -5.269 114.796 119.914 0.252 0.000 3.461 340 V HA -0.117 4.028 4.120 0.042 0.000 0.267 340 V C 1.200 177.304 176.094 0.016 0.000 1.186 340 V CA 0.533 62.968 62.300 0.225 0.000 1.154 340 V CB -1.032 30.969 31.823 0.296 0.000 0.802 340 V HN 0.276 nan 8.190 nan 0.000 0.474 341 Y N 1.893 122.289 120.300 0.160 0.000 2.645 341 Y HA 0.660 5.235 4.550 0.042 0.000 0.307 341 Y C 1.657 177.649 175.900 0.153 0.000 1.151 341 Y CA 0.356 58.540 58.100 0.140 0.000 1.291 341 Y CB 0.480 39.024 38.460 0.139 0.000 1.135 341 Y HN 0.419 nan 8.280 nan 0.000 0.523 342 G N -1.444 107.486 108.800 0.216 0.000 3.578 342 G HA2 -0.116 3.869 3.960 0.042 0.000 0.220 342 G HA3 -0.116 3.869 3.960 0.042 0.000 0.220 342 G C -0.688 174.304 174.900 0.154 0.000 0.933 342 G CA -0.470 44.746 45.100 0.192 0.000 0.847 342 G HN -0.030 nan 8.290 nan 0.000 0.612 343 V N 2.949 122.954 119.914 0.151 0.000 2.368 343 V HA 0.398 4.544 4.120 0.042 0.000 0.266 343 V C -1.894 174.382 176.094 0.302 0.000 1.045 343 V CA -1.606 60.798 62.300 0.173 0.000 0.899 343 V CB 0.988 32.828 31.823 0.029 0.000 1.006 343 V HN 0.074 nan 8.190 nan 0.000 0.470 344 P HA 0.222 nan 4.420 nan 0.000 0.264 344 P C 1.040 178.479 177.300 0.232 0.000 1.183 344 P CA 1.339 64.553 63.100 0.191 0.000 0.763 344 P CB 0.596 32.370 31.700 0.123 0.000 0.807 345 G N 1.118 109.998 108.800 0.134 0.000 2.201 345 G HA2 -0.201 3.785 3.960 0.042 0.000 0.212 345 G HA3 -0.201 3.785 3.960 0.042 0.000 0.212 345 G C -0.238 174.539 174.900 -0.204 0.000 0.994 345 G CA -0.625 44.439 45.100 -0.060 0.000 0.644 345 G HN 0.391 nan 8.290 nan 0.000 0.508 346 F N 1.500 121.478 119.950 0.048 0.000 2.469 346 F HA 0.810 5.362 4.527 0.041 0.000 0.332 346 F C 0.515 176.419 175.800 0.172 0.000 1.103 346 F CA -0.278 57.772 58.000 0.083 0.000 0.979 346 F CB 2.325 41.414 39.000 0.148 0.000 1.137 346 F HN 0.176 nan 8.300 nan 0.000 0.463 347 S N 1.728 117.664 115.700 0.393 0.000 2.550 347 S HA 0.315 4.810 4.470 0.042 0.000 0.270 347 S C 0.268 175.166 174.600 0.496 0.000 1.145 347 S CA -0.836 57.595 58.200 0.385 0.000 0.852 347 S CB 1.487 64.822 63.200 0.225 0.000 1.119 347 S HN 0.771 nan 8.310 nan 0.000 0.465 348 K N 0.963 121.575 120.400 0.352 0.000 2.366 348 K HA 0.138 4.483 4.320 0.042 0.000 0.198 348 K C -0.043 176.583 176.600 0.043 0.000 1.044 348 K CA 1.020 57.411 56.287 0.175 0.000 0.973 348 K CB -0.102 32.305 32.500 -0.155 0.000 0.767 348 K HN 0.431 nan 8.250 nan 0.000 0.475 349 D N 1.121 121.535 120.400 0.023 0.000 2.328 349 D HA 0.023 4.688 4.640 0.042 0.000 0.221 349 D C -0.362 175.964 176.300 0.044 0.000 1.072 349 D CA 0.218 54.198 54.000 -0.033 0.000 0.850 349 D CB 0.099 40.856 40.800 -0.072 0.000 0.922 349 D HN 0.490 nan 8.370 nan 0.000 0.516 350 N N -1.476 117.300 118.700 0.127 0.000 3.204 350 N HA 0.084 4.849 4.740 0.042 0.000 0.285 350 N C 0.190 175.792 175.510 0.153 0.000 1.536 350 N CA -0.577 52.529 53.050 0.094 0.000 0.832 350 N CB 0.834 39.334 38.487 0.023 0.000 1.645 350 N HN -0.358 nan 8.380 nan 0.000 0.586 351 E N -0.463 119.746 120.200 0.015 0.000 2.481 351 E HA 0.046 4.421 4.350 0.042 0.000 0.195 351 E C -0.527 175.741 176.600 -0.554 0.000 1.047 351 E CA 0.301 56.634 56.400 -0.110 0.000 0.867 351 E CB -0.239 29.426 29.700 -0.059 0.000 0.858 351 E HN 0.573 nan 8.360 nan 0.000 0.513 352 S N 0.393 115.812 115.700 -0.469 0.000 3.682 352 S HA -0.174 4.322 4.470 0.042 0.000 0.354 352 S C 0.120 174.289 174.600 -0.718 0.000 1.034 352 S CA 0.160 57.943 58.200 -0.694 0.000 1.084 352 S CB -1.586 60.981 63.200 -1.055 0.000 0.903 352 S HN 0.294 nan 8.310 nan 0.000 0.470 353 L N 1.839 122.793 121.223 -0.449 0.000 2.325 353 L HA 0.449 4.814 4.340 0.042 0.000 0.284 353 L C 0.711 177.392 176.870 -0.316 0.000 1.089 353 L CA -0.249 54.385 54.840 -0.342 0.000 0.836 353 L CB 0.113 42.042 42.059 -0.216 0.000 1.184 353 L HN 0.414 nan 8.230 nan 0.000 0.444 354 I N 0.295 120.674 120.570 -0.319 0.000 2.676 354 I HA 0.587 4.782 4.170 0.042 0.000 0.309 354 I C 0.698 176.751 176.117 -0.107 0.000 0.990 354 I CA -0.594 60.566 61.300 -0.233 0.000 1.168 354 I CB 1.717 39.567 38.000 -0.249 0.000 1.343 354 I HN 0.560 nan 8.210 nan 0.000 0.482 355 S N 2.929 118.598 115.700 -0.051 0.000 2.624 355 S HA 0.307 4.802 4.470 0.042 0.000 0.263 355 S C 1.025 175.656 174.600 0.051 0.000 1.287 355 S CA -0.379 57.818 58.200 -0.006 0.000 0.990 355 S CB 1.319 64.522 63.200 0.005 0.000 0.950 355 S HN 0.878 nan 8.310 nan 0.000 0.561 356 R N 0.611 121.147 120.500 0.060 0.000 2.081 356 R HA -0.090 4.275 4.340 0.042 0.000 0.235 356 R C 2.388 178.784 176.300 0.160 0.000 1.131 356 R CA 1.591 57.767 56.100 0.127 0.000 0.960 356 R CB -1.126 29.227 30.300 0.087 0.000 0.856 356 R HN 0.845 nan 8.270 nan 0.000 0.436 357 A N 0.486 123.364 122.820 0.096 0.000 1.902 357 A HA -0.219 4.126 4.320 0.042 0.000 0.217 357 A C 2.037 179.674 177.584 0.088 0.000 1.181 357 A CA 1.547 53.630 52.037 0.077 0.000 0.623 357 A CB -0.493 18.538 19.000 0.050 0.000 0.818 357 A HN 0.508 nan 8.150 nan 0.000 0.443 358 Q N -1.942 117.919 119.800 0.102 0.000 2.226 358 Q HA -0.112 4.254 4.340 0.042 0.000 0.204 358 Q C 1.790 177.918 176.000 0.212 0.000 0.975 358 Q CA 1.440 57.318 55.803 0.125 0.000 0.866 358 Q CB -0.246 28.544 28.738 0.086 0.000 0.915 358 Q HN 0.833 nan 8.270 nan 0.000 0.440 359 F N 0.691 120.681 119.950 0.067 0.000 2.098 359 F HA -0.164 4.391 4.527 0.047 0.000 0.294 359 F C 1.676 177.519 175.800 0.071 0.000 1.107 359 F CA 0.893 58.943 58.000 0.084 0.000 1.234 359 F CB 0.085 39.119 39.000 0.057 0.000 1.002 359 F HN -0.050 nan 8.300 nan 0.000 0.472 360 L N 0.509 121.638 121.223 -0.157 0.000 2.042 360 L HA -0.222 4.143 4.340 0.042 0.000 0.210 360 L C 2.844 179.625 176.870 -0.149 0.000 1.076 360 L CA 1.234 55.929 54.840 -0.241 0.000 0.749 360 L CB -1.618 40.394 42.059 -0.079 0.000 0.893 360 L HN 0.276 nan 8.230 nan 0.000 0.432 361 A N 0.693 123.487 122.820 -0.044 0.000 1.930 361 A HA -0.071 4.275 4.320 0.042 0.000 0.217 361 A C 2.433 180.014 177.584 -0.005 0.000 1.175 361 A CA 1.612 53.644 52.037 -0.008 0.000 0.627 361 A CB -1.131 17.889 19.000 0.033 0.000 0.815 361 A HN 0.441 nan 8.150 nan 0.000 0.443 362 G N -0.729 108.083 108.800 0.019 0.000 2.422 362 G HA2 -0.038 3.947 3.960 0.042 0.000 0.218 362 G HA3 -0.038 3.947 3.960 0.042 0.000 0.218 362 G C 1.440 176.318 174.900 -0.036 0.000 1.140 362 G CA 1.085 46.210 45.100 0.043 0.000 0.775 362 G HN 0.298 nan 8.290 nan 0.000 0.545 363 V N 1.127 120.951 119.914 -0.150 0.000 2.343 363 V HA -0.124 4.021 4.120 0.042 0.000 0.247 363 V C 2.879 178.924 176.094 -0.082 0.000 1.051 363 V CA 1.489 63.690 62.300 -0.164 0.000 1.036 363 V CB -0.354 31.276 31.823 -0.321 0.000 0.654 363 V HN 0.230 nan 8.190 nan 0.000 0.451 364 R N -0.225 120.233 120.500 -0.071 0.000 2.241 364 R HA 0.042 4.407 4.340 0.042 0.000 0.224 364 R C 1.876 178.159 176.300 -0.029 0.000 1.101 364 R CA 1.186 57.260 56.100 -0.043 0.000 0.995 364 R CB -0.666 29.613 30.300 -0.035 0.000 0.870 364 R HN 0.490 nan 8.270 nan 0.000 0.463 365 I N -1.137 119.420 120.570 -0.021 0.000 3.081 365 I HA 0.035 4.230 4.170 0.042 0.000 0.274 365 I C 2.109 178.222 176.117 -0.006 0.000 1.178 365 I CA 0.780 62.075 61.300 -0.008 0.000 1.460 365 I CB -0.198 37.810 38.000 0.014 0.000 1.137 365 I HN 0.132 nan 8.210 nan 0.000 0.443 366 G N 0.707 109.501 108.800 -0.011 0.000 2.430 366 G HA2 -0.018 3.967 3.960 0.042 0.000 0.216 366 G HA3 -0.018 3.967 3.960 0.042 0.000 0.216 366 G C 0.831 175.735 174.900 0.007 0.000 1.146 366 G CA 0.436 45.533 45.100 -0.005 0.000 0.793 366 G HN 0.200 nan 8.290 nan 0.000 0.537 367 V N 2.017 121.915 119.914 -0.026 0.000 2.320 367 V HA 0.231 4.377 4.120 0.042 0.000 0.257 367 V C -1.600 174.481 176.094 -0.023 0.000 0.996 367 V CA -1.157 61.101 62.300 -0.070 0.000 0.928 367 V CB 1.513 33.266 31.823 -0.117 0.000 1.169 367 V HN 0.061 nan 8.190 nan 0.000 0.475 368 P HA -0.156 nan 4.420 nan 0.000 0.225 368 P C 1.156 178.448 177.300 -0.014 0.000 1.148 368 P CA 1.060 64.152 63.100 -0.014 0.000 0.779 368 P CB 0.394 32.081 31.700 -0.022 0.000 0.780 369 Q N -0.812 118.989 119.800 0.002 0.000 2.282 369 Q HA 0.223 4.588 4.340 0.042 0.000 0.206 369 Q C 0.498 176.490 176.000 -0.012 0.000 0.878 369 Q CA -0.058 55.743 55.803 -0.003 0.000 0.944 369 Q CB -0.166 28.581 28.738 0.014 0.000 1.100 369 Q HN 0.005 nan 8.270 nan 0.000 0.509 370 A N 2.093 124.903 122.820 -0.016 0.000 2.409 370 A HA 0.451 4.796 4.320 0.042 0.000 0.262 370 A C 0.490 178.060 177.584 -0.024 0.000 1.113 370 A CA -0.011 52.013 52.037 -0.022 0.000 0.790 370 A CB 0.399 19.387 19.000 -0.020 0.000 1.046 370 A HN 0.491 nan 8.150 nan 0.000 0.496 371 S N 1.914 117.598 115.700 -0.027 0.000 2.617 371 S HA 0.143 4.639 4.470 0.042 0.000 0.259 371 S C 0.362 174.954 174.600 -0.014 0.000 1.301 371 S CA 0.090 58.276 58.200 -0.023 0.000 0.984 371 S CB 0.383 63.566 63.200 -0.028 0.000 0.954 371 S HN 0.625 nan 8.310 nan 0.000 0.572 372 D N 0.266 120.661 120.400 -0.009 0.000 2.104 372 D HA -0.106 4.559 4.640 0.042 0.000 0.194 372 D C 1.782 178.089 176.300 0.011 0.000 0.994 372 D CA 1.004 55.004 54.000 -0.001 0.000 0.830 372 D CB -0.576 40.224 40.800 0.001 0.000 0.959 372 D HN 0.396 nan 8.370 nan 0.000 0.452 373 L N 0.893 122.123 121.223 0.012 0.000 2.017 373 L HA -0.064 4.302 4.340 0.042 0.000 0.208 373 L C 2.109 179.007 176.870 0.046 0.000 1.073 373 L CA 1.833 56.691 54.840 0.030 0.000 0.745 373 L CB -0.932 41.139 42.059 0.020 0.000 0.894 373 L HN 0.005 nan 8.230 nan 0.000 0.432 374 A N -0.632 122.198 122.820 0.016 0.000 1.933 374 A HA -0.067 4.279 4.320 0.042 0.000 0.218 374 A C 2.420 180.030 177.584 0.042 0.000 1.175 374 A CA 1.765 53.808 52.037 0.010 0.000 0.628 374 A CB -1.091 17.883 19.000 -0.043 0.000 0.814 374 A HN 0.574 nan 8.150 nan 0.000 0.444 375 A N -0.605 122.229 122.820 0.024 0.000 1.929 375 A HA -0.055 4.290 4.320 0.042 0.000 0.216 375 A C 1.934 179.540 177.584 0.037 0.000 1.176 375 A CA 1.921 53.967 52.037 0.015 0.000 0.628 375 A CB -0.400 18.589 19.000 -0.018 0.000 0.816 375 A HN 0.481 nan 8.150 nan 0.000 0.444 376 E N 0.460 120.692 120.200 0.055 0.000 2.058 376 E HA -0.112 4.263 4.350 0.042 0.000 0.194 376 E C 2.079 178.761 176.600 0.137 0.000 0.997 376 E CA 1.636 58.086 56.400 0.084 0.000 0.801 376 E CB -0.490 29.257 29.700 0.078 0.000 0.746 376 E HN 0.476 nan 8.360 nan 0.000 0.450 377 A N -0.092 122.831 122.820 0.171 0.000 1.908 377 A HA -0.166 4.179 4.320 0.042 0.000 0.218 377 A C 2.518 180.255 177.584 0.256 0.000 1.181 377 A CA 1.717 53.912 52.037 0.264 0.000 0.627 377 A CB -0.805 18.440 19.000 0.408 0.000 0.818 377 A HN 0.198 nan 8.150 nan 0.000 0.445 378 V N -0.511 119.551 119.914 0.246 0.000 2.261 378 V HA -0.240 3.906 4.120 0.042 0.000 0.246 378 V C 2.585 178.841 176.094 0.269 0.000 1.047 378 V CA 2.033 64.463 62.300 0.217 0.000 1.015 378 V CB -0.812 31.113 31.823 0.170 0.000 0.642 378 V HN 0.373 nan 8.190 nan 0.000 0.446 379 V N -0.135 119.882 119.914 0.171 0.000 2.287 379 V HA -0.277 3.868 4.120 0.042 0.000 0.248 379 V C 2.290 178.589 176.094 0.342 0.000 1.053 379 V CA 2.138 64.569 62.300 0.217 0.000 1.027 379 V CB -0.545 31.317 31.823 0.065 0.000 0.646 379 V HN 0.459 nan 8.190 nan 0.000 0.447 380 L N -0.777 120.630 121.223 0.306 0.000 2.141 380 L HA -0.183 4.182 4.340 0.042 0.000 0.209 380 L C 2.492 179.578 176.870 0.361 0.000 1.094 380 L CA 1.778 56.875 54.840 0.428 0.000 0.763 380 L CB -0.718 41.522 42.059 0.301 0.000 0.908 380 L HN 0.466 nan 8.230 nan 0.000 0.437 381 H N -1.000 118.080 119.070 0.017 0.000 2.395 381 H HA -0.143 4.440 4.556 0.045 0.000 0.299 381 H C 1.742 176.948 175.328 -0.204 0.000 1.070 381 H CA 1.681 57.578 56.048 -0.252 0.000 1.356 381 H CB 0.117 29.366 29.762 -0.857 0.000 1.401 381 H HN 0.235 nan 8.280 nan 0.000 0.524 382 Y N -0.024 120.313 120.300 0.060 0.000 2.500 382 Y HA 0.136 4.710 4.550 0.041 0.000 0.270 382 Y C 0.734 176.573 175.900 -0.101 0.000 1.134 382 Y CA 0.283 58.414 58.100 0.052 0.000 1.293 382 Y CB 0.323 38.949 38.460 0.278 0.000 1.063 382 Y HN 0.034 nan 8.280 nan 0.000 0.534 383 T N 1.529 116.045 114.554 -0.063 0.000 2.916 383 T HA -0.078 4.298 4.350 0.042 0.000 0.303 383 T C -0.146 174.182 174.700 -0.620 0.000 1.025 383 T CA -0.178 61.622 62.100 -0.500 0.000 1.142 383 T CB 0.313 68.583 68.868 -0.997 0.000 0.947 383 T HN 0.080 nan 8.240 nan 0.000 0.544 384 D N 1.961 122.049 120.400 -0.522 0.000 2.393 384 D HA 0.074 4.740 4.640 0.042 0.000 0.232 384 D C 0.075 176.091 176.300 -0.472 0.000 1.192 384 D CA -0.537 53.228 54.000 -0.393 0.000 0.882 384 D CB 0.412 41.015 40.800 -0.328 0.000 1.038 384 D HN 0.625 nan 8.370 nan 0.000 0.499 385 W N 3.261 124.483 121.300 -0.131 0.000 2.721 385 W HA 0.035 4.718 4.660 0.039 0.000 0.245 385 W C 2.088 178.501 176.519 -0.177 0.000 1.276 385 W CA -0.279 56.992 57.345 -0.124 0.000 1.342 385 W CB 0.108 29.509 29.460 -0.098 0.000 1.135 385 W HN 0.439 nan 8.180 nan 0.000 0.654 386 L N -0.884 120.251 121.223 -0.146 0.000 2.209 386 L HA -0.034 4.331 4.340 0.042 0.000 0.207 386 L C 0.113 176.609 176.870 -0.624 0.000 1.094 386 L CA 1.139 55.748 54.840 -0.385 0.000 0.790 386 L CB -0.048 41.700 42.059 -0.519 0.000 0.932 386 L HN -0.003 nan 8.230 nan 0.000 0.447 387 H N -1.201 117.733 119.070 -0.227 0.000 2.336 387 H HA 0.185 4.748 4.556 0.011 0.000 0.230 387 H C -1.840 173.310 175.328 -0.297 0.000 1.426 387 H CA -1.455 54.434 56.048 -0.265 0.000 1.359 387 H CB 0.317 29.835 29.762 -0.407 0.000 1.555 387 H HN 0.034 nan 8.280 nan 0.000 0.512 388 P HA -0.144 nan 4.420 nan 0.000 0.220 388 P C 0.462 177.653 177.300 -0.182 0.000 1.148 388 P CA 1.193 64.134 63.100 -0.264 0.000 0.803 388 P CB 0.630 32.243 31.700 -0.145 0.000 0.782 389 E N -0.544 119.604 120.200 -0.086 0.000 2.603 389 E HA 0.070 4.445 4.350 0.042 0.000 0.211 389 E C -0.258 176.319 176.600 -0.038 0.000 0.995 389 E CA -0.233 56.136 56.400 -0.051 0.000 0.990 389 E CB 0.102 29.793 29.700 -0.016 0.000 1.036 389 E HN 0.200 nan 8.360 nan 0.000 0.475 390 D N 2.103 122.484 120.400 -0.032 0.000 2.358 390 D HA 0.029 4.695 4.640 0.042 0.000 0.258 390 D C -1.645 174.649 176.300 -0.011 0.000 1.223 390 D CA -1.928 52.075 54.000 0.005 0.000 0.886 390 D CB 1.323 42.168 40.800 0.075 0.000 1.120 390 D HN -0.182 nan 8.370 nan 0.000 0.482 391 P HA -0.132 nan 4.420 nan 0.000 0.216 391 P C 1.115 178.346 177.300 -0.115 0.000 1.150 391 P CA 1.087 64.132 63.100 -0.092 0.000 0.837 391 P CB 0.170 31.807 31.700 -0.105 0.000 0.786 392 T N -1.725 112.770 114.554 -0.098 0.000 2.708 392 T HA -0.184 4.192 4.350 0.042 0.000 0.266 392 T C 1.537 176.150 174.700 -0.144 0.000 1.037 392 T CA 1.641 63.659 62.100 -0.137 0.000 1.146 392 T CB -1.091 67.686 68.868 -0.152 0.000 0.865 392 T HN 0.271 nan 8.240 nan 0.000 0.435 393 H N 0.701 119.698 119.070 -0.123 0.000 2.321 393 H HA 0.085 4.660 4.556 0.032 0.000 0.300 393 H C 2.192 177.405 175.328 -0.192 0.000 1.087 393 H CA 1.238 57.210 56.048 -0.127 0.000 1.319 393 H CB -0.438 29.249 29.762 -0.126 0.000 1.379 393 H HN 0.175 nan 8.280 nan 0.000 0.501 394 L N 0.042 121.191 121.223 -0.123 0.000 2.012 394 L HA -0.219 4.147 4.340 0.042 0.000 0.210 394 L C 2.781 179.526 176.870 -0.207 0.000 1.073 394 L CA 1.339 55.979 54.840 -0.333 0.000 0.748 394 L CB -0.383 41.522 42.059 -0.257 0.000 0.891 394 L HN 0.251 nan 8.230 nan 0.000 0.431 395 R N 0.527 120.969 120.500 -0.098 0.000 2.082 395 R HA -0.202 4.163 4.340 0.042 0.000 0.234 395 R C 1.809 178.172 176.300 0.105 0.000 1.136 395 R CA 2.303 58.414 56.100 0.018 0.000 0.935 395 R CB -0.588 29.595 30.300 -0.195 0.000 0.842 395 R HN 0.353 nan 8.270 nan 0.000 0.430 396 D N 0.293 120.715 120.400 0.036 0.000 2.182 396 D HA -0.143 4.522 4.640 0.042 0.000 0.201 396 D C 1.669 178.031 176.300 0.103 0.000 0.986 396 D CA 1.436 55.491 54.000 0.092 0.000 0.847 396 D CB -0.135 40.686 40.800 0.035 0.000 0.942 396 D HN 0.424 nan 8.370 nan 0.000 0.467 397 A N 0.607 123.441 122.820 0.024 0.000 1.897 397 A HA -0.117 4.228 4.320 0.042 0.000 0.215 397 A C 2.140 179.764 177.584 0.068 0.000 1.181 397 A CA 1.272 53.329 52.037 0.034 0.000 0.620 397 A CB -0.423 18.470 19.000 -0.178 0.000 0.821 397 A HN 0.131 nan 8.150 nan 0.000 0.443 398 M N 0.329 120.006 119.600 0.128 0.000 2.108 398 M HA -0.131 4.375 4.480 0.042 0.000 0.261 398 M C 2.311 178.680 176.300 0.114 0.000 1.066 398 M CA 2.310 57.773 55.300 0.270 0.000 1.107 398 M CB -0.535 32.292 32.600 0.379 0.000 1.356 398 M HN 0.440 nan 8.290 nan 0.000 0.406 399 S N -0.279 115.503 115.700 0.137 0.000 2.368 399 S HA -0.074 4.421 4.470 0.042 0.000 0.224 399 S C 2.075 176.749 174.600 0.122 0.000 1.029 399 S CA 1.482 59.771 58.200 0.148 0.000 0.988 399 S CB -0.663 62.687 63.200 0.250 0.000 0.838 399 S HN 0.620 nan 8.310 nan 0.000 0.462 400 A N 1.083 123.982 122.820 0.131 0.000 1.877 400 A HA 0.000 4.345 4.320 0.042 0.000 0.216 400 A C 2.409 180.019 177.584 0.043 0.000 1.186 400 A CA 1.838 53.974 52.037 0.166 0.000 0.620 400 A CB -1.279 17.907 19.000 0.310 0.000 0.822 400 A HN 0.477 nan 8.150 nan 0.000 0.443 401 V N -0.389 119.399 119.914 -0.210 0.000 2.282 401 V HA -0.270 3.876 4.120 0.042 0.000 0.249 401 V C 2.578 178.608 176.094 -0.106 0.000 1.057 401 V CA 2.224 64.342 62.300 -0.303 0.000 1.032 401 V CB -0.691 30.992 31.823 -0.234 0.000 0.645 401 V HN 0.394 nan 8.190 nan 0.000 0.447 402 V N 0.393 120.266 119.914 -0.069 0.000 2.379 402 V HA -0.093 4.052 4.120 0.042 0.000 0.245 402 V C 2.601 178.579 176.094 -0.193 0.000 1.044 402 V CA 1.942 64.177 62.300 -0.109 0.000 1.036 402 V CB -1.231 30.572 31.823 -0.035 0.000 0.664 402 V HN 0.605 nan 8.190 nan 0.000 0.453 403 G N -0.218 108.540 108.800 -0.070 0.000 2.440 403 G HA2 -0.255 3.731 3.960 0.042 0.000 0.218 403 G HA3 -0.255 3.731 3.960 0.042 0.000 0.218 403 G C 1.238 176.059 174.900 -0.131 0.000 1.154 403 G CA 1.125 46.192 45.100 -0.055 0.000 0.767 403 G HN 0.493 nan 8.290 nan 0.000 0.552 404 D N -0.473 119.867 120.400 -0.100 0.000 2.103 404 D HA -0.056 4.609 4.640 0.042 0.000 0.199 404 D C 2.115 178.101 176.300 -0.523 0.000 0.978 404 D CA 1.148 55.061 54.000 -0.145 0.000 0.829 404 D CB -0.421 40.477 40.800 0.164 0.000 0.981 404 D HN 0.406 nan 8.370 nan 0.000 0.464 405 H N 0.697 119.208 119.070 -0.932 0.000 2.389 405 H HA 0.044 4.625 4.556 0.042 0.000 0.299 405 H C 1.466 176.390 175.328 -0.674 0.000 1.081 405 H CA 1.564 56.867 56.048 -1.242 0.000 1.345 405 H CB 0.117 29.130 29.762 -1.248 0.000 1.393 405 H HN -0.022 nan 8.280 nan 0.000 0.520 406 N N -0.894 117.372 118.700 -0.723 0.000 2.432 406 N HA 0.012 4.777 4.740 0.042 0.000 0.174 406 N C 1.325 176.594 175.510 -0.401 0.000 1.037 406 N CA 1.111 53.681 53.050 -0.800 0.000 0.892 406 N CB 0.946 38.431 38.487 -1.671 0.000 1.049 406 N HN 0.270 nan 8.380 nan 0.000 0.442 407 V N -0.355 119.374 119.914 -0.308 0.000 3.134 407 V HA 0.075 4.220 4.120 0.042 0.000 0.222 407 V C 2.170 178.224 176.094 -0.067 0.000 1.247 407 V CA 0.241 62.496 62.300 -0.075 0.000 1.281 407 V CB -0.097 31.746 31.823 0.034 0.000 1.169 407 V HN -0.164 nan 8.190 nan 0.000 0.512 408 V N -0.013 119.861 119.914 -0.067 0.000 2.295 408 V HA -0.276 3.870 4.120 0.042 0.000 0.246 408 V C 2.486 178.548 176.094 -0.053 0.000 1.049 408 V CA 2.509 64.787 62.300 -0.037 0.000 1.024 408 V CB -0.756 31.076 31.823 0.015 0.000 0.648 408 V HN 0.657 nan 8.190 nan 0.000 0.447 409 c N -0.517 118.038 118.600 -0.075 0.000 2.475 409 c HA 0.027 4.622 4.570 0.042 0.000 0.279 409 c C 0.566 174.621 174.090 -0.058 0.000 1.322 409 c CA 0.748 57.060 56.329 -0.028 0.000 1.734 409 c CB -1.729 40.797 42.510 0.027 0.000 2.005 409 c HN 0.446 nan 8.230 nan 0.000 0.495 410 P HA -0.087 nan 4.420 nan 0.000 0.215 410 P C 1.791 179.029 177.300 -0.103 0.000 1.153 410 P CA 1.398 64.426 63.100 -0.120 0.000 0.853 410 P CB -0.164 31.436 31.700 -0.166 0.000 0.788 411 V N 0.105 119.961 119.914 -0.096 0.000 2.332 411 V HA -0.285 3.860 4.120 0.042 0.000 0.248 411 V C 2.433 178.434 176.094 -0.155 0.000 1.055 411 V CA 2.351 64.578 62.300 -0.121 0.000 1.038 411 V CB -1.673 30.077 31.823 -0.121 0.000 0.651 411 V HN 0.109 nan 8.190 nan 0.000 0.450 412 A N 0.293 123.042 122.820 -0.119 0.000 1.933 412 A HA -0.290 4.055 4.320 0.042 0.000 0.218 412 A C 2.237 179.786 177.584 -0.060 0.000 1.175 412 A CA 2.002 53.977 52.037 -0.103 0.000 0.628 412 A CB -0.484 18.506 19.000 -0.017 0.000 0.814 412 A HN 0.770 nan 8.150 nan 0.000 0.444 413 Q N -0.897 118.881 119.800 -0.037 0.000 2.187 413 Q HA -0.022 4.343 4.340 0.042 0.000 0.199 413 Q C 1.847 177.817 176.000 -0.049 0.000 0.957 413 Q CA 1.328 57.121 55.803 -0.017 0.000 0.857 413 Q CB -0.465 28.273 28.738 0.001 0.000 0.929 413 Q HN 0.410 nan 8.270 nan 0.000 0.453 414 L N 1.291 122.458 121.223 -0.094 0.000 2.017 414 L HA -0.082 4.284 4.340 0.042 0.000 0.208 414 L C 2.452 179.233 176.870 -0.149 0.000 1.073 414 L CA 2.234 56.999 54.840 -0.125 0.000 0.745 414 L CB -0.936 41.038 42.059 -0.142 0.000 0.894 414 L HN 0.339 nan 8.230 nan 0.000 0.432 415 A N -0.640 122.056 122.820 -0.207 0.000 1.877 415 A HA -0.090 4.255 4.320 0.042 0.000 0.216 415 A C 2.338 179.874 177.584 -0.079 0.000 1.186 415 A CA 1.660 53.516 52.037 -0.301 0.000 0.620 415 A CB -1.621 16.939 19.000 -0.735 0.000 0.822 415 A HN 0.537 nan 8.150 nan 0.000 0.443 416 G N -0.884 107.938 108.800 0.038 0.000 2.418 416 G HA2 -0.201 3.785 3.960 0.042 0.000 0.217 416 G HA3 -0.201 3.785 3.960 0.042 0.000 0.217 416 G C 1.742 176.702 174.900 0.099 0.000 1.158 416 G CA 0.748 45.959 45.100 0.184 0.000 0.771 416 G HN 0.371 nan 8.290 nan 0.000 0.545 417 R N 0.155 120.679 120.500 0.040 0.000 2.066 417 R HA 0.083 4.449 4.340 0.042 0.000 0.232 417 R C 2.725 179.052 176.300 0.044 0.000 1.131 417 R CA 0.687 56.815 56.100 0.047 0.000 0.955 417 R CB -1.059 29.261 30.300 0.034 0.000 0.851 417 R HN 0.405 nan 8.270 nan 0.000 0.432 418 L N 0.246 121.426 121.223 -0.071 0.000 2.012 418 L HA -0.192 4.173 4.340 0.042 0.000 0.210 418 L C 2.702 179.590 176.870 0.030 0.000 1.073 418 L CA 1.625 56.385 54.840 -0.132 0.000 0.748 418 L CB -0.815 41.086 42.059 -0.263 0.000 0.891 418 L HN 0.159 nan 8.230 nan 0.000 0.431 419 A N 0.204 123.061 122.820 0.060 0.000 1.877 419 A HA -0.185 4.160 4.320 0.042 0.000 0.216 419 A C 2.532 180.171 177.584 0.092 0.000 1.186 419 A CA 1.854 53.950 52.037 0.098 0.000 0.620 419 A CB -0.857 18.253 19.000 0.183 0.000 0.822 419 A HN 0.409 nan 8.150 nan 0.000 0.443 420 A N -1.365 121.514 122.820 0.097 0.000 2.076 420 A HA -0.145 4.200 4.320 0.042 0.000 0.220 420 A C 1.789 179.431 177.584 0.097 0.000 1.160 420 A CA 1.670 53.758 52.037 0.085 0.000 0.653 420 A CB -0.320 18.729 19.000 0.082 0.000 0.801 420 A HN 0.636 nan 8.150 nan 0.000 0.455 421 Q N -1.999 117.887 119.800 0.142 0.000 2.206 421 Q HA 0.400 4.765 4.340 0.042 0.000 0.265 421 Q C 0.823 176.935 176.000 0.186 0.000 0.866 421 Q CA 0.363 56.271 55.803 0.175 0.000 1.073 421 Q CB 0.540 29.438 28.738 0.267 0.000 1.165 421 Q HN 0.761 nan 8.270 nan 0.000 0.465 422 G N -0.275 108.604 108.800 0.132 0.000 2.213 422 G HA2 -0.286 3.699 3.960 0.042 0.000 0.236 422 G HA3 -0.286 3.699 3.960 0.042 0.000 0.236 422 G C 0.388 175.358 174.900 0.116 0.000 0.991 422 G CA -0.173 44.991 45.100 0.107 0.000 0.629 422 G HN 0.555 nan 8.290 nan 0.000 0.517 423 A N 0.031 122.939 122.820 0.148 0.000 2.346 423 A HA 0.713 5.058 4.320 0.042 0.000 0.252 423 A C 0.673 178.291 177.584 0.056 0.000 1.089 423 A CA 0.700 52.804 52.037 0.111 0.000 0.797 423 A CB 0.336 19.382 19.000 0.075 0.000 1.047 423 A HN 0.822 nan 8.150 nan 0.000 0.494 424 R N 0.811 121.340 120.500 0.049 0.000 2.229 424 R HA 0.541 4.907 4.340 0.042 0.000 0.332 424 R C -1.687 174.593 176.300 -0.034 0.000 0.989 424 R CA -0.245 55.849 56.100 -0.009 0.000 0.842 424 R CB 0.756 31.080 30.300 0.039 0.000 1.119 424 R HN 0.474 nan 8.270 nan 0.000 0.456 425 V N 5.470 125.296 119.914 -0.147 0.000 2.555 425 V HA 0.438 4.584 4.120 0.042 0.000 0.302 425 V C -1.125 174.797 176.094 -0.286 0.000 1.038 425 V CA -0.779 61.454 62.300 -0.112 0.000 0.887 425 V CB 1.596 33.407 31.823 -0.019 0.000 0.991 425 V HN 0.662 nan 8.190 nan 0.000 0.434 426 Y N 2.128 122.371 120.300 -0.094 0.000 2.376 426 Y HA 0.793 5.368 4.550 0.042 0.000 0.340 426 Y C 0.313 176.250 175.900 0.061 0.000 0.965 426 Y CA -0.499 57.525 58.100 -0.128 0.000 1.078 426 Y CB 2.232 40.270 38.460 -0.702 0.000 1.193 426 Y HN 0.782 nan 8.280 nan 0.000 0.452 427 A N 3.026 126.192 122.820 0.576 0.000 2.384 427 A HA 0.897 5.243 4.320 0.042 0.000 0.312 427 A C -1.831 176.171 177.584 0.696 0.000 1.113 427 A CA -0.696 51.596 52.037 0.426 0.000 0.779 427 A CB 1.204 20.276 19.000 0.121 0.000 1.307 427 A HN 0.754 nan 8.150 nan 0.000 0.436 428 Y N -1.035 119.518 120.300 0.422 0.000 2.615 428 Y HA 0.805 5.380 4.550 0.041 0.000 0.341 428 Y C -1.201 174.880 175.900 0.301 0.000 1.089 428 Y CA -1.576 56.726 58.100 0.337 0.000 1.049 428 Y CB 1.301 39.958 38.460 0.329 0.000 1.296 428 Y HN 0.706 nan 8.280 nan 0.000 0.470 429 I N 2.811 123.719 120.570 0.564 0.000 2.498 429 I HA 0.487 4.683 4.170 0.042 0.000 0.290 429 I C -1.945 174.513 176.117 0.568 0.000 1.032 429 I CA -1.052 60.544 61.300 0.494 0.000 1.073 429 I CB 1.370 39.575 38.000 0.342 0.000 1.251 429 I HN 0.733 nan 8.210 nan 0.000 0.426 430 F N 7.156 127.387 119.950 0.467 0.000 2.404 430 F HA 0.439 4.992 4.527 0.043 0.000 0.354 430 F C 0.425 176.382 175.800 0.261 0.000 1.122 430 F CA 0.018 58.235 58.000 0.361 0.000 1.080 430 F CB 1.065 40.296 39.000 0.385 0.000 1.131 430 F HN 0.538 nan 8.300 nan 0.000 0.471 431 E N 2.880 122.944 120.200 -0.227 0.000 2.676 431 E HA -0.014 4.361 4.350 0.042 0.000 0.222 431 E C -0.810 175.676 176.600 -0.189 0.000 0.968 431 E CA -0.179 56.169 56.400 -0.086 0.000 1.090 431 E CB 0.333 30.011 29.700 -0.037 0.000 1.066 431 E HN 0.544 nan 8.360 nan 0.000 0.496 432 H N 1.714 120.438 119.070 -0.577 0.000 2.604 432 H HA 0.227 4.808 4.556 0.042 0.000 0.306 432 H C -0.326 174.962 175.328 -0.066 0.000 1.075 432 H CA -0.414 55.377 56.048 -0.428 0.000 1.357 432 H CB 0.537 29.850 29.762 -0.749 0.000 1.426 432 H HN -0.139 nan 8.280 nan 0.000 0.470 433 R N 4.102 124.270 120.500 -0.552 0.000 2.265 433 R HA 0.490 4.855 4.340 0.042 0.000 0.314 433 R C -0.666 175.378 176.300 -0.426 0.000 1.053 433 R CA -0.624 55.305 56.100 -0.285 0.000 0.931 433 R CB 0.474 30.690 30.300 -0.140 0.000 1.024 433 R HN 0.802 nan 8.270 nan 0.000 0.457 434 A N 3.194 126.075 122.820 0.101 0.000 2.524 434 A HA 0.045 4.390 4.320 0.042 0.000 0.250 434 A C 1.375 179.040 177.584 0.134 0.000 1.078 434 A CA 0.374 52.645 52.037 0.390 0.000 0.761 434 A CB 0.331 19.666 19.000 0.558 0.000 1.012 434 A HN 1.036 nan 8.150 nan 0.000 0.500 435 S N 2.001 117.797 115.700 0.161 0.000 2.420 435 S HA -0.213 4.282 4.470 0.042 0.000 0.237 435 S C 1.466 176.033 174.600 -0.054 0.000 1.023 435 S CA 1.941 60.168 58.200 0.045 0.000 0.991 435 S CB -0.963 62.285 63.200 0.080 0.000 0.792 435 S HN 1.269 nan 8.310 nan 0.000 0.488 436 T N -1.014 113.458 114.554 -0.137 0.000 3.129 436 T HA 0.318 4.693 4.350 0.042 0.000 0.251 436 T C 0.469 175.078 174.700 -0.152 0.000 1.117 436 T CA -0.500 61.463 62.100 -0.229 0.000 1.034 436 T CB -0.484 68.094 68.868 -0.483 0.000 0.968 436 T HN 0.213 nan 8.240 nan 0.000 0.526 437 L N 4.141 125.317 121.223 -0.077 0.000 2.525 437 L HA 0.227 4.592 4.340 0.042 0.000 0.278 437 L C 1.524 178.337 176.870 -0.096 0.000 1.218 437 L CA 0.742 55.535 54.840 -0.079 0.000 0.878 437 L CB 0.721 42.745 42.059 -0.059 0.000 1.127 437 L HN 0.473 nan 8.230 nan 0.000 0.492 438 T N -0.589 113.875 114.554 -0.151 0.000 3.014 438 T HA 0.088 4.463 4.350 0.042 0.000 0.250 438 T C 0.422 175.136 174.700 0.023 0.000 1.060 438 T CA -0.452 61.571 62.100 -0.127 0.000 1.040 438 T CB -0.301 68.381 68.868 -0.311 0.000 0.971 438 T HN 0.391 nan 8.240 nan 0.000 0.497 439 W N 3.683 125.011 121.300 0.046 0.000 2.137 439 W HA 0.372 5.057 4.660 0.042 0.000 0.344 439 W C -1.966 174.451 176.519 -0.170 0.000 1.286 439 W CA -2.003 55.327 57.345 -0.025 0.000 1.240 439 W CB 0.079 29.447 29.460 -0.153 0.000 1.141 439 W HN 0.008 nan 8.180 nan 0.000 0.579 440 P HA 0.021 nan 4.420 nan 0.000 0.272 440 P C 0.478 177.668 177.300 -0.183 0.000 1.240 440 P CA -0.051 62.974 63.100 -0.125 0.000 0.791 440 P CB 0.837 32.441 31.700 -0.161 0.000 0.978 441 L N 0.146 121.337 121.223 -0.053 0.000 2.187 441 L HA -0.132 4.234 4.340 0.042 0.000 0.213 441 L C 2.443 179.337 176.870 0.041 0.000 1.100 441 L CA 1.426 56.265 54.840 -0.002 0.000 0.765 441 L CB -0.866 41.222 42.059 0.049 0.000 0.904 441 L HN 0.611 nan 8.230 nan 0.000 0.437 442 W N -1.461 119.875 121.300 0.060 0.000 2.595 442 W HA -0.071 4.614 4.660 0.041 0.000 0.257 442 W C 1.694 178.264 176.519 0.084 0.000 1.267 442 W CA 0.286 57.669 57.345 0.062 0.000 1.300 442 W CB -0.631 28.866 29.460 0.060 0.000 1.120 442 W HN 0.172 nan 8.180 nan 0.000 0.618 443 M N 1.248 120.580 119.600 -0.447 0.000 2.562 443 M HA 0.114 4.619 4.480 0.042 0.000 0.257 443 M C 1.872 178.117 176.300 -0.092 0.000 1.099 443 M CA 1.586 56.634 55.300 -0.421 0.000 1.099 443 M CB -0.477 31.707 32.600 -0.694 0.000 1.427 443 M HN 0.222 nan 8.290 nan 0.000 0.489 444 G N 0.595 109.376 108.800 -0.033 0.000 2.574 444 G HA2 -0.290 3.696 3.960 0.042 0.000 0.301 444 G HA3 -0.290 3.696 3.960 0.042 0.000 0.301 444 G C -0.093 174.824 174.900 0.028 0.000 1.166 444 G CA -0.062 45.056 45.100 0.030 0.000 0.971 444 G HN 0.248 nan 8.290 nan 0.000 0.542 445 V N 3.534 123.507 119.914 0.098 0.000 2.284 445 V HA 0.523 4.668 4.120 0.042 0.000 0.274 445 V C -2.025 174.201 176.094 0.219 0.000 1.023 445 V CA -0.823 61.586 62.300 0.182 0.000 0.808 445 V CB 1.487 33.468 31.823 0.263 0.000 1.035 445 V HN 0.536 nan 8.190 nan 0.000 0.445 446 P HA 0.257 nan 4.420 nan 0.000 0.278 446 P C -0.348 177.172 177.300 0.365 0.000 1.266 446 P CA -0.680 62.525 63.100 0.175 0.000 0.807 446 P CB 0.430 32.072 31.700 -0.098 0.000 1.094 447 H N 0.440 119.621 119.070 0.185 0.000 3.216 447 H HA 0.223 4.804 4.556 0.042 0.000 0.283 447 H C 1.511 176.872 175.328 0.056 0.000 0.921 447 H CA 2.452 58.597 56.048 0.162 0.000 1.419 447 H CB -0.902 28.978 29.762 0.196 0.000 1.460 447 H HN 0.743 nan 8.280 nan 0.000 0.553 448 G N 3.597 112.255 108.800 -0.237 0.000 2.218 448 G HA2 -0.289 3.696 3.960 0.042 0.000 0.216 448 G HA3 -0.289 3.696 3.960 0.042 0.000 0.216 448 G C 0.540 175.342 174.900 -0.163 0.000 0.994 448 G CA 0.219 45.118 45.100 -0.334 0.000 0.637 448 G HN 0.618 nan 8.290 nan 0.000 0.505 449 Y N 1.724 122.150 120.300 0.210 0.000 2.495 449 Y HA 0.255 4.831 4.550 0.043 0.000 0.293 449 Y C 2.278 178.343 175.900 0.276 0.000 1.186 449 Y CA 0.901 59.182 58.100 0.302 0.000 1.266 449 Y CB 0.420 39.085 38.460 0.341 0.000 1.101 449 Y HN 0.505 nan 8.280 nan 0.000 0.517 450 E N -0.009 120.198 120.200 0.012 0.000 2.364 450 E HA -0.043 4.332 4.350 0.042 0.000 0.196 450 E C 1.567 178.086 176.600 -0.134 0.000 0.990 450 E CA 0.545 56.657 56.400 -0.480 0.000 0.886 450 E CB -0.335 28.679 29.700 -1.143 0.000 0.866 450 E HN 0.520 nan 8.360 nan 0.000 0.493 451 I N 1.875 122.444 120.570 -0.001 0.000 2.076 451 I HA -0.307 3.888 4.170 0.042 0.000 0.237 451 I C 2.645 178.770 176.117 0.013 0.000 1.059 451 I CA 1.904 63.244 61.300 0.067 0.000 1.317 451 I CB -0.573 37.545 38.000 0.197 0.000 1.037 451 I HN 0.134 nan 8.210 nan 0.000 0.398 452 E N 0.218 120.358 120.200 -0.099 0.000 2.435 452 E HA -0.329 4.046 4.350 0.042 0.000 0.242 452 E C 1.925 178.252 176.600 -0.456 0.000 1.125 452 E CA 2.591 58.809 56.400 -0.302 0.000 1.067 452 E CB -0.226 29.287 29.700 -0.312 0.000 0.903 452 E HN 0.441 nan 8.360 nan 0.000 0.466 453 F N -0.692 119.153 119.950 -0.176 0.000 2.262 453 F HA -0.023 4.530 4.527 0.043 0.000 0.292 453 F C 2.179 177.737 175.800 -0.404 0.000 1.081 453 F CA 0.305 58.139 58.000 -0.276 0.000 1.355 453 F CB -0.167 38.746 39.000 -0.146 0.000 1.069 453 F HN 0.065 nan 8.300 nan 0.000 0.506 454 I N -0.505 119.884 120.570 -0.302 0.000 2.208 454 I HA -0.295 3.900 4.170 0.042 0.000 0.245 454 I C 2.148 177.992 176.117 -0.454 0.000 1.097 454 I CA 1.720 62.669 61.300 -0.584 0.000 1.363 454 I CB -1.568 35.934 38.000 -0.831 0.000 1.051 454 I HN 0.087 nan 8.210 nan 0.000 0.413 455 F N 1.000 120.755 119.950 -0.325 0.000 2.604 455 F HA 0.149 4.701 4.527 0.042 0.000 0.298 455 F C 1.939 177.589 175.800 -0.250 0.000 1.131 455 F CA 0.982 58.833 58.000 -0.248 0.000 1.457 455 F CB -0.343 38.500 39.000 -0.262 0.000 1.095 455 F HN 0.322 nan 8.300 nan 0.000 0.574 456 G N -0.179 108.453 108.800 -0.280 0.000 2.132 456 G HA2 -0.295 3.690 3.960 0.042 0.000 0.234 456 G HA3 -0.295 3.690 3.960 0.042 0.000 0.234 456 G C 0.962 175.249 174.900 -1.022 0.000 0.989 456 G CA 0.289 45.101 45.100 -0.479 0.000 0.676 456 G HN 0.301 nan 8.290 nan 0.000 0.522 457 L N 0.492 121.141 121.223 -0.957 0.000 2.127 457 L HA 0.036 4.401 4.340 0.042 0.000 0.211 457 L C 0.322 176.582 176.870 -1.017 0.000 1.089 457 L CA 2.644 56.840 54.840 -1.073 0.000 0.757 457 L CB -0.853 40.832 42.059 -0.624 0.000 0.899 457 L HN 0.200 nan 8.230 nan 0.000 0.434 458 P HA -0.135 nan 4.420 nan 0.000 0.226 458 P C 1.428 178.461 177.300 -0.446 0.000 1.146 458 P CA 0.880 63.382 63.100 -0.997 0.000 0.773 458 P CB 0.052 31.270 31.700 -0.804 0.000 0.772 459 L N -1.374 119.542 121.223 -0.512 0.000 2.478 459 L HA 0.024 4.389 4.340 0.042 0.000 0.223 459 L C 0.888 177.677 176.870 -0.135 0.000 1.140 459 L CA 0.994 55.669 54.840 -0.274 0.000 0.842 459 L CB -0.985 40.934 42.059 -0.234 0.000 0.953 459 L HN -0.084 nan 8.230 nan 0.000 0.452 460 D N -0.059 120.230 120.400 -0.185 0.000 2.352 460 D HA 0.102 4.767 4.640 0.042 0.000 0.245 460 D C -1.617 174.697 176.300 0.024 0.000 1.224 460 D CA -1.992 52.020 54.000 0.020 0.000 0.879 460 D CB 1.571 42.423 40.800 0.085 0.000 1.057 460 D HN -0.027 nan 8.370 nan 0.000 0.491 461 P HA -0.117 nan 4.420 nan 0.000 0.220 461 P C 1.274 178.595 177.300 0.034 0.000 1.148 461 P CA 0.798 63.919 63.100 0.035 0.000 0.803 461 P CB 0.085 31.801 31.700 0.027 0.000 0.782 462 S N -0.884 114.834 115.700 0.030 0.000 2.500 462 S HA -0.062 4.433 4.470 0.042 0.000 0.239 462 S C 1.614 176.218 174.600 0.008 0.000 0.989 462 S CA 0.776 58.984 58.200 0.014 0.000 0.951 462 S CB -1.402 61.804 63.200 0.010 0.000 0.759 462 S HN 0.124 nan 8.310 nan 0.000 0.523 463 L N 0.925 122.173 121.223 0.041 0.000 2.592 463 L HA 0.230 4.596 4.340 0.042 0.000 0.227 463 L C 0.367 177.213 176.870 -0.039 0.000 1.127 463 L CA -0.107 54.755 54.840 0.036 0.000 0.884 463 L CB -0.653 41.503 42.059 0.161 0.000 1.065 463 L HN 0.282 nan 8.230 nan 0.000 0.457 464 N N -0.856 117.843 118.700 -0.001 0.000 2.741 464 N HA -0.234 4.531 4.740 0.042 0.000 0.250 464 N C -0.440 175.029 175.510 -0.068 0.000 1.115 464 N CA 0.799 53.823 53.050 -0.044 0.000 0.724 464 N CB -1.464 36.968 38.487 -0.092 0.000 1.090 464 N HN 0.315 nan 8.380 nan 0.000 0.558 465 Y N 1.137 121.423 120.300 -0.023 0.000 2.336 465 Y HA 0.099 4.674 4.550 0.042 0.000 0.331 465 Y C 1.874 177.796 175.900 0.036 0.000 1.211 465 Y CA 0.127 58.238 58.100 0.019 0.000 1.346 465 Y CB 0.548 39.010 38.460 0.003 0.000 1.271 465 Y HN 0.039 nan 8.280 nan 0.000 0.538 466 T N -1.767 112.918 114.554 0.220 0.000 2.856 466 T HA 0.003 4.378 4.350 0.042 0.000 0.306 466 T C 1.206 175.983 174.700 0.128 0.000 1.062 466 T CA -0.223 61.961 62.100 0.139 0.000 1.083 466 T CB 0.855 69.795 68.868 0.121 0.000 0.984 466 T HN 0.775 nan 8.240 nan 0.000 0.542 467 T N 1.820 116.420 114.554 0.077 0.000 2.665 467 T HA -0.141 4.234 4.350 0.042 0.000 0.268 467 T C 1.799 176.531 174.700 0.054 0.000 1.035 467 T CA 2.068 64.201 62.100 0.055 0.000 1.151 467 T CB -0.509 68.380 68.868 0.034 0.000 0.862 467 T HN 0.788 nan 8.240 nan 0.000 0.438 468 E N 1.028 121.255 120.200 0.046 0.000 2.118 468 E HA -0.129 4.247 4.350 0.042 0.000 0.195 468 E C 2.255 178.884 176.600 0.047 0.000 0.992 468 E CA 1.142 57.553 56.400 0.018 0.000 0.804 468 E CB -0.193 29.495 29.700 -0.019 0.000 0.741 468 E HN 0.603 nan 8.360 nan 0.000 0.458 469 E N 0.001 120.272 120.200 0.118 0.000 2.150 469 E HA -0.141 4.235 4.350 0.042 0.000 0.193 469 E C 2.100 178.822 176.600 0.204 0.000 0.985 469 E CA 0.405 56.955 56.400 0.250 0.000 0.814 469 E CB 0.006 29.989 29.700 0.471 0.000 0.752 469 E HN 0.071 nan 8.360 nan 0.000 0.466 470 R N 1.031 121.590 120.500 0.098 0.000 2.062 470 R HA -0.119 4.247 4.340 0.042 0.000 0.231 470 R C 2.262 178.567 176.300 0.009 0.000 1.136 470 R CA 1.107 57.212 56.100 0.007 0.000 0.948 470 R CB -0.337 29.961 30.300 -0.003 0.000 0.845 470 R HN 0.167 nan 8.270 nan 0.000 0.430 471 I N 0.564 121.155 120.570 0.036 0.000 2.208 471 I HA -0.314 3.881 4.170 0.042 0.000 0.245 471 I C 2.332 178.490 176.117 0.068 0.000 1.097 471 I CA 1.261 62.580 61.300 0.032 0.000 1.363 471 I CB -0.420 37.599 38.000 0.032 0.000 1.051 471 I HN 0.143 nan 8.210 nan 0.000 0.413 472 F N 1.846 121.748 119.950 -0.080 0.000 2.095 472 F HA -0.241 4.312 4.527 0.044 0.000 0.298 472 F C 2.444 178.212 175.800 -0.053 0.000 1.104 472 F CA 1.376 59.314 58.000 -0.103 0.000 1.232 472 F CB -0.699 38.178 39.000 -0.205 0.000 0.987 472 F HN 0.026 nan 8.300 nan 0.000 0.475 473 A N -0.185 122.563 122.820 -0.120 0.000 1.972 473 A HA -0.215 4.130 4.320 0.042 0.000 0.219 473 A C 2.152 179.599 177.584 -0.228 0.000 1.169 473 A CA 1.656 53.556 52.037 -0.228 0.000 0.635 473 A CB -0.825 18.073 19.000 -0.169 0.000 0.810 473 A HN 0.605 nan 8.150 nan 0.000 0.446 474 Q N -0.894 118.815 119.800 -0.152 0.000 2.124 474 Q HA -0.150 4.215 4.340 0.042 0.000 0.202 474 Q C 2.369 178.263 176.000 -0.177 0.000 0.977 474 Q CA 1.460 57.184 55.803 -0.133 0.000 0.850 474 Q CB -0.143 28.547 28.738 -0.080 0.000 0.901 474 Q HN 0.619 nan 8.270 nan 0.000 0.429 475 R N 0.169 120.545 120.500 -0.207 0.000 2.075 475 R HA -0.093 4.272 4.340 0.042 0.000 0.232 475 R C 2.224 178.224 176.300 -0.500 0.000 1.126 475 R CA 1.069 56.961 56.100 -0.346 0.000 0.963 475 R CB -0.147 30.022 30.300 -0.218 0.000 0.858 475 R HN 0.232 nan 8.270 nan 0.000 0.435 476 L N -0.200 120.811 121.223 -0.354 0.000 2.093 476 L HA -0.133 4.232 4.340 0.042 0.000 0.208 476 L C 2.422 179.231 176.870 -0.102 0.000 1.085 476 L CA 1.142 55.870 54.840 -0.188 0.000 0.755 476 L CB -0.250 41.569 42.059 -0.400 0.000 0.904 476 L HN 0.223 nan 8.230 nan 0.000 0.435 477 M N -0.546 118.942 119.600 -0.187 0.000 2.229 477 M HA -0.208 4.297 4.480 0.042 0.000 0.264 477 M C 2.310 178.601 176.300 -0.015 0.000 1.063 477 M CA 1.607 56.834 55.300 -0.123 0.000 1.114 477 M CB -0.211 32.306 32.600 -0.138 0.000 1.387 477 M HN 0.083 nan 8.290 nan 0.000 0.420 478 K N -0.450 119.907 120.400 -0.071 0.000 2.103 478 K HA -0.142 4.203 4.320 0.042 0.000 0.204 478 K C 1.737 178.394 176.600 0.094 0.000 1.052 478 K CA 1.277 57.540 56.287 -0.040 0.000 0.945 478 K CB 0.066 32.494 32.500 -0.121 0.000 0.722 478 K HN 0.183 nan 8.250 nan 0.000 0.443 479 Y N -0.351 120.079 120.300 0.217 0.000 2.133 479 Y HA -0.223 4.352 4.550 0.042 0.000 0.287 479 Y C 2.197 178.232 175.900 0.224 0.000 1.134 479 Y CA 0.872 59.129 58.100 0.261 0.000 1.133 479 Y CB -0.761 37.992 38.460 0.487 0.000 0.987 479 Y HN 0.210 nan 8.280 nan 0.000 0.502 480 W N 0.628 122.012 121.300 0.140 0.000 2.358 480 W HA -0.219 4.466 4.660 0.041 0.000 0.303 480 W C 2.398 178.926 176.519 0.015 0.000 1.208 480 W CA 2.256 59.620 57.345 0.031 0.000 1.274 480 W CB -0.543 28.860 29.460 -0.095 0.000 1.138 480 W HN 0.241 nan 8.180 nan 0.000 0.515 481 T N -2.618 112.050 114.554 0.190 0.000 2.978 481 T HA -0.096 4.280 4.350 0.042 0.000 0.262 481 T C 1.437 176.171 174.700 0.056 0.000 1.063 481 T CA 0.952 63.094 62.100 0.070 0.000 1.140 481 T CB -0.563 68.323 68.868 0.030 0.000 0.886 481 T HN -0.105 nan 8.240 nan 0.000 0.470 482 N N 1.044 119.797 118.700 0.089 0.000 2.104 482 N HA -0.027 4.738 4.740 0.042 0.000 0.190 482 N C 1.350 176.872 175.510 0.021 0.000 1.024 482 N CA 1.086 54.169 53.050 0.056 0.000 0.853 482 N CB -0.662 37.878 38.487 0.090 0.000 1.008 482 N HN 0.487 nan 8.380 nan 0.000 0.424 483 F N 1.594 121.467 119.950 -0.128 0.000 2.102 483 F HA -0.077 4.476 4.527 0.043 0.000 0.298 483 F C 2.188 177.912 175.800 -0.127 0.000 1.105 483 F CA 1.434 59.310 58.000 -0.207 0.000 1.239 483 F CB -0.547 38.245 39.000 -0.346 0.000 0.991 483 F HN 0.035 nan 8.300 nan 0.000 0.474 484 A N 0.427 123.170 122.820 -0.129 0.000 1.940 484 A HA -0.239 4.106 4.320 0.042 0.000 0.219 484 A C 2.391 179.857 177.584 -0.197 0.000 1.176 484 A CA 1.921 53.842 52.037 -0.193 0.000 0.631 484 A CB -0.873 18.090 19.000 -0.062 0.000 0.814 484 A HN 0.489 nan 8.150 nan 0.000 0.446 485 R N -1.169 119.252 120.500 -0.131 0.000 2.090 485 R HA -0.091 4.275 4.340 0.042 0.000 0.228 485 R C 1.886 178.108 176.300 -0.130 0.000 1.110 485 R CA 1.926 57.967 56.100 -0.099 0.000 0.973 485 R CB -0.040 30.230 30.300 -0.050 0.000 0.869 485 R HN 0.707 nan 8.270 nan 0.000 0.440 486 T N -6.295 108.158 114.554 -0.169 0.000 2.993 486 T HA 0.247 4.622 4.350 0.042 0.000 0.260 486 T C 1.109 175.695 174.700 -0.189 0.000 0.939 486 T CA 0.395 62.412 62.100 -0.140 0.000 0.886 486 T CB 1.247 70.069 68.868 -0.077 0.000 1.209 486 T HN 0.297 nan 8.240 nan 0.000 0.518 487 G N 1.429 109.999 108.800 -0.382 0.000 2.179 487 G HA2 -0.185 3.800 3.960 0.042 0.000 0.260 487 G HA3 -0.185 3.800 3.960 0.042 0.000 0.260 487 G C -0.324 174.538 174.900 -0.063 0.000 0.977 487 G CA 0.238 45.072 45.100 -0.442 0.000 0.641 487 G HN 0.811 nan 8.290 nan 0.000 0.533 488 D N -0.336 120.008 120.400 -0.093 0.000 2.696 488 D HA 0.510 5.176 4.640 0.042 0.000 0.251 488 D C -1.384 174.765 176.300 -0.252 0.000 1.188 488 D CA -1.976 51.909 54.000 -0.192 0.000 0.876 488 D CB 2.150 42.928 40.800 -0.038 0.000 1.334 488 D HN 0.016 nan 8.370 nan 0.000 0.540 489 P HA 0.008 nan 4.420 nan 0.000 0.245 489 P C -0.113 177.188 177.300 0.002 0.000 1.212 489 P CA -0.020 62.899 63.100 -0.300 0.000 0.774 489 P CB 0.355 31.568 31.700 -0.812 0.000 0.999 490 N N 1.388 120.065 118.700 -0.039 0.000 2.530 490 N HA 0.035 4.801 4.740 0.042 0.000 0.277 490 N C -0.028 175.559 175.510 0.129 0.000 1.168 490 N CA 0.129 53.257 53.050 0.130 0.000 0.979 490 N CB 0.671 39.224 38.487 0.110 0.000 1.141 490 N HN -0.008 nan 8.380 nan 0.000 0.459 491 D N 2.336 122.834 120.400 0.164 0.000 2.344 491 D HA 0.072 4.737 4.640 0.042 0.000 0.253 491 D C -1.403 174.944 176.300 0.080 0.000 1.255 491 D CA -1.402 52.662 54.000 0.107 0.000 0.894 491 D CB 1.019 41.879 40.800 0.099 0.000 1.067 491 D HN 0.305 nan 8.370 nan 0.000 0.492 492 P HA -0.041 nan 4.420 nan 0.000 0.239 492 P C 0.189 177.514 177.300 0.042 0.000 1.184 492 P CA 0.464 63.591 63.100 0.046 0.000 0.760 492 P CB 0.120 31.839 31.700 0.032 0.000 0.884 493 R N 0.551 121.076 120.500 0.043 0.000 2.480 493 R HA 0.550 4.916 4.340 0.042 0.000 0.306 493 R C -0.675 175.652 176.300 0.044 0.000 0.958 493 R CA -0.127 55.996 56.100 0.038 0.000 0.861 493 R CB -0.572 29.746 30.300 0.029 0.000 1.171 493 R HN 0.116 nan 8.270 nan 0.000 0.445 494 D N 1.197 121.623 120.400 0.044 0.000 4.013 494 D HA 0.259 4.924 4.640 0.042 0.000 0.225 494 D C 0.628 176.966 176.300 0.063 0.000 1.196 494 D CA 2.104 56.135 54.000 0.051 0.000 0.889 494 D CB -1.077 39.756 40.800 0.054 0.000 0.572 494 D HN 2.108 nan 8.370 nan 0.000 0.258 495 S N -0.601 115.134 115.700 0.058 0.000 1.358 495 S HA 0.074 4.569 4.470 0.042 0.000 0.249 495 S C 0.991 175.619 174.600 0.047 0.000 0.679 495 S CA 1.713 59.941 58.200 0.047 0.000 1.114 495 S CB -1.765 61.459 63.200 0.039 0.000 1.217 495 S HN 1.687 nan 8.310 nan 0.000 0.495 496 K N 1.911 122.342 120.400 0.052 0.000 2.221 496 K HA 0.919 5.264 4.320 0.042 0.000 0.243 496 K C 0.628 177.267 176.600 0.065 0.000 0.968 496 K CA 0.353 56.671 56.287 0.051 0.000 0.846 496 K CB 0.940 33.467 32.500 0.044 0.000 1.141 496 K HN 1.000 nan 8.250 nan 0.000 0.434 497 S N 0.989 116.726 115.700 0.061 0.000 2.463 497 S HA 0.370 4.866 4.470 0.042 0.000 0.241 497 S C -1.852 172.798 174.600 0.083 0.000 1.299 497 S CA -0.335 57.908 58.200 0.071 0.000 0.979 497 S CB -0.424 62.809 63.200 0.056 0.000 0.950 497 S HN 0.764 nan 8.310 nan 0.000 0.516 498 P HA 0.289 nan 4.420 nan 0.000 0.279 498 P C -0.897 176.470 177.300 0.111 0.000 1.239 498 P CA -0.323 62.820 63.100 0.072 0.000 0.789 498 P CB 0.341 32.066 31.700 0.042 0.000 0.933 499 Q N 1.033 120.908 119.800 0.126 0.000 2.288 499 Q HA 0.086 4.451 4.340 0.042 0.000 0.254 499 Q C -0.443 175.705 176.000 0.245 0.000 0.932 499 Q CA -0.125 55.787 55.803 0.183 0.000 0.902 499 Q CB 0.870 29.706 28.738 0.163 0.000 1.203 499 Q HN 0.547 nan 8.270 nan 0.000 0.415 500 W N 6.301 127.647 121.300 0.077 0.000 2.655 500 W HA 0.170 4.857 4.660 0.044 0.000 0.333 500 W C -2.421 174.230 176.519 0.220 0.000 1.382 500 W CA -2.079 55.324 57.345 0.096 0.000 1.398 500 W CB -0.224 29.232 29.460 -0.007 0.000 1.481 500 W HN 0.405 nan 8.180 nan 0.000 0.526 501 P HA 0.279 nan 4.420 nan 0.000 0.279 501 P C -2.537 174.962 177.300 0.331 0.000 1.252 501 P CA -1.659 61.665 63.100 0.373 0.000 0.811 501 P CB 0.354 32.181 31.700 0.212 0.000 1.035 502 P HA 0.058 nan 4.420 nan 0.000 0.271 502 P C -0.800 176.485 177.300 -0.025 0.000 1.218 502 P CA 0.022 62.920 63.100 -0.338 0.000 0.780 502 P CB 0.093 31.566 31.700 -0.378 0.000 0.901 503 Y N 2.728 122.966 120.300 -0.104 0.000 2.359 503 Y HA 0.363 4.938 4.550 0.041 0.000 0.330 503 Y C 0.472 176.359 175.900 -0.023 0.000 1.143 503 Y CA 0.710 58.819 58.100 0.015 0.000 1.318 503 Y CB 0.338 38.831 38.460 0.055 0.000 1.234 503 Y HN 0.445 nan 8.280 nan 0.000 0.522 504 T N 0.024 114.331 114.554 -0.412 0.000 2.883 504 T HA 0.278 4.653 4.350 0.042 0.000 0.296 504 T C 0.760 175.259 174.700 -0.335 0.000 1.117 504 T CA -0.197 61.773 62.100 -0.215 0.000 1.006 504 T CB 1.210 70.003 68.868 -0.126 0.000 1.191 504 T HN 0.630 nan 8.240 nan 0.000 0.508 505 T N -0.918 113.574 114.554 -0.103 0.000 2.857 505 T HA 0.128 4.504 4.350 0.042 0.000 0.266 505 T C 2.233 176.890 174.700 -0.072 0.000 1.048 505 T CA 0.880 62.948 62.100 -0.053 0.000 1.139 505 T CB -0.846 68.042 68.868 0.033 0.000 0.874 505 T HN 0.902 nan 8.240 nan 0.000 0.455 506 A N 2.471 125.252 122.820 -0.065 0.000 1.827 506 A HA 0.284 4.629 4.320 0.042 0.000 0.215 506 A C 2.826 180.366 177.584 -0.074 0.000 1.212 506 A CA 2.166 54.173 52.037 -0.050 0.000 0.624 506 A CB -1.554 17.425 19.000 -0.035 0.000 0.853 506 A HN 0.755 nan 8.150 nan 0.000 0.450 507 A N -2.546 120.213 122.820 -0.102 0.000 1.970 507 A HA 0.108 4.453 4.320 0.042 0.000 0.216 507 A C 1.132 178.633 177.584 -0.139 0.000 1.170 507 A CA 1.284 53.266 52.037 -0.092 0.000 0.645 507 A CB -0.431 18.529 19.000 -0.067 0.000 0.816 507 A HN 0.676 nan 8.150 nan 0.000 0.447 508 Q N -0.761 118.836 119.800 -0.338 0.000 2.468 508 Q HA -0.209 4.157 4.340 0.042 0.000 0.289 508 Q C -0.685 175.251 176.000 -0.107 0.000 1.299 508 Q CA 0.644 56.138 55.803 -0.515 0.000 0.838 508 Q CB -1.743 26.904 28.738 -0.152 0.000 1.195 508 Q HN 0.850 nan 8.270 nan 0.000 0.456 509 Q N 0.387 120.141 119.800 -0.077 0.000 2.314 509 Q HA 0.449 4.814 4.340 0.042 0.000 0.258 509 Q C -0.361 175.878 176.000 0.399 0.000 0.954 509 Q CA 0.105 55.978 55.803 0.116 0.000 0.890 509 Q CB 0.546 29.322 28.738 0.063 0.000 1.210 509 Q HN 0.349 nan 8.270 nan 0.000 0.410 510 Y N -1.501 118.934 120.300 0.225 0.000 2.655 510 Y HA 0.738 5.313 4.550 0.041 0.000 0.336 510 Y C -1.139 174.796 175.900 0.058 0.000 1.154 510 Y CA -1.528 56.724 58.100 0.255 0.000 1.055 510 Y CB 0.616 39.239 38.460 0.271 0.000 1.295 510 Y HN 0.343 nan 8.280 nan 0.000 0.465 511 V N -0.495 119.404 119.914 -0.025 0.000 2.864 511 V HA 0.828 4.974 4.120 0.042 0.000 0.314 511 V C -0.327 175.713 176.094 -0.090 0.000 1.073 511 V CA -0.584 61.529 62.300 -0.313 0.000 0.956 511 V CB 1.371 32.710 31.823 -0.806 0.000 1.023 511 V HN 1.221 nan 8.190 nan 0.000 0.435 512 S N 4.113 119.750 115.700 -0.105 0.000 2.465 512 S HA 0.658 5.154 4.470 0.042 0.000 0.279 512 S C -0.412 174.167 174.600 -0.035 0.000 1.201 512 S CA -0.634 57.569 58.200 0.006 0.000 1.053 512 S CB 0.367 63.559 63.200 -0.013 0.000 0.953 512 S HN 0.767 nan 8.310 nan 0.000 0.488 513 L N 4.530 125.783 121.223 0.049 0.000 2.255 513 L HA 0.509 4.874 4.340 0.042 0.000 0.289 513 L C -0.012 176.780 176.870 -0.129 0.000 1.046 513 L CA -0.395 54.495 54.840 0.083 0.000 0.816 513 L CB -0.126 42.095 42.059 0.271 0.000 1.197 513 L HN 0.950 nan 8.230 nan 0.000 0.427 514 N N 2.273 120.834 118.700 -0.232 0.000 3.449 514 N HA 0.272 5.037 4.740 0.042 0.000 0.312 514 N C 0.097 175.074 175.510 -0.888 0.000 1.557 514 N CA -0.932 51.709 53.050 -0.682 0.000 0.864 514 N CB 0.530 38.785 38.487 -0.387 0.000 1.799 514 N HN 0.209 nan 8.380 nan 0.000 0.554 515 L N -0.757 119.971 121.223 -0.826 0.000 2.291 515 L HA 0.113 4.479 4.340 0.042 0.000 0.214 515 L C 0.557 177.246 176.870 -0.302 0.000 1.120 515 L CA 0.835 55.288 54.840 -0.646 0.000 0.799 515 L CB -0.500 41.273 42.059 -0.477 0.000 0.925 515 L HN 0.373 nan 8.230 nan 0.000 0.446 516 K N 0.551 120.817 120.400 -0.223 0.000 2.168 516 K HA 0.258 4.603 4.320 0.042 0.000 0.258 516 K C -2.155 174.402 176.600 -0.070 0.000 1.010 516 K CA -1.936 54.282 56.287 -0.116 0.000 0.929 516 K CB -0.018 32.426 32.500 -0.093 0.000 0.998 516 K HN -0.200 nan 8.250 nan 0.000 0.479 517 P HA -0.058 nan 4.420 nan 0.000 0.268 517 P C -0.185 177.115 177.300 0.001 0.000 1.208 517 P CA -0.031 63.078 63.100 0.014 0.000 0.777 517 P CB 0.353 32.063 31.700 0.016 0.000 0.875 518 L N 1.420 122.659 121.223 0.027 0.000 2.653 518 L HA -0.126 4.239 4.340 0.042 0.000 0.288 518 L C 1.116 177.947 176.870 -0.065 0.000 1.243 518 L CA 1.016 55.831 54.840 -0.042 0.000 0.906 518 L CB -0.270 41.757 42.059 -0.054 0.000 1.154 518 L HN 0.514 nan 8.230 nan 0.000 0.498 519 E N 2.961 123.098 120.200 -0.104 0.000 2.171 519 E HA 0.388 4.763 4.350 0.042 0.000 0.271 519 E C -1.283 175.221 176.600 -0.160 0.000 0.916 519 E CA -0.806 55.532 56.400 -0.103 0.000 0.774 519 E CB 1.871 31.519 29.700 -0.087 0.000 1.128 519 E HN 0.308 nan 8.360 nan 0.000 0.403 520 V N 5.356 125.187 119.914 -0.138 0.000 2.385 520 V HA 0.372 4.517 4.120 0.042 0.000 0.269 520 V C 0.268 176.221 176.094 -0.234 0.000 1.043 520 V CA -0.256 61.940 62.300 -0.173 0.000 0.906 520 V CB 0.787 32.563 31.823 -0.079 0.000 0.995 520 V HN 0.673 nan 8.190 nan 0.000 0.467 521 R N 3.948 124.174 120.500 -0.457 0.000 2.828 521 R HA 0.756 5.122 4.340 0.042 0.000 0.264 521 R C -0.623 175.408 176.300 -0.448 0.000 1.022 521 R CA -0.982 54.808 56.100 -0.516 0.000 1.021 521 R CB 2.222 32.070 30.300 -0.752 0.000 1.163 521 R HN 0.577 nan 8.270 nan 0.000 0.494 522 R N -0.040 120.387 120.500 -0.122 0.000 2.513 522 R HA 0.462 4.827 4.340 0.042 0.000 0.301 522 R C -0.929 175.534 176.300 0.271 0.000 0.968 522 R CA -0.447 55.702 56.100 0.081 0.000 0.872 522 R CB 2.224 32.544 30.300 0.032 0.000 1.177 522 R HN 0.897 nan 8.270 nan 0.000 0.444 523 G N 2.544 111.575 108.800 0.385 0.000 3.405 523 G HA2 -0.202 3.783 3.960 0.042 0.000 0.676 523 G HA3 -0.202 3.783 3.960 0.042 0.000 0.676 523 G C -1.097 174.012 174.900 0.349 0.000 1.039 523 G CA -0.920 44.365 45.100 0.308 0.000 0.855 523 G HN 0.433 nan 8.290 nan 0.000 0.443 524 L N 3.426 124.750 121.223 0.167 0.000 2.356 524 L HA 0.629 4.995 4.340 0.042 0.000 0.282 524 L C 1.380 178.261 176.870 0.018 0.000 1.132 524 L CA 0.073 54.833 54.840 -0.134 0.000 0.923 524 L CB -0.216 41.704 42.059 -0.231 0.000 1.278 524 L HN 0.814 nan 8.230 nan 0.000 0.436 525 R N 2.915 123.463 120.500 0.080 0.000 3.251 525 R HA -0.292 4.074 4.340 0.042 0.000 0.249 525 R C 1.248 177.641 176.300 0.156 0.000 0.949 525 R CA 0.580 56.760 56.100 0.133 0.000 0.645 525 R CB -0.987 29.394 30.300 0.135 0.000 1.065 525 R HN 0.851 nan 8.270 nan 0.000 0.452 526 A N 0.461 123.372 122.820 0.152 0.000 1.877 526 A HA -0.222 4.123 4.320 0.042 0.000 0.216 526 A C 1.814 179.490 177.584 0.153 0.000 1.186 526 A CA 1.327 53.453 52.037 0.148 0.000 0.620 526 A CB -0.178 18.903 19.000 0.136 0.000 0.822 526 A HN 0.563 nan 8.150 nan 0.000 0.443 527 Q N -0.648 119.240 119.800 0.147 0.000 2.079 527 Q HA -0.101 4.265 4.340 0.042 0.000 0.200 527 Q C 2.224 178.347 176.000 0.205 0.000 0.974 527 Q CA 1.972 57.865 55.803 0.150 0.000 0.840 527 Q CB -1.058 27.751 28.738 0.119 0.000 0.898 527 Q HN 0.646 nan 8.270 nan 0.000 0.430 528 T N 0.691 115.388 114.554 0.238 0.000 2.777 528 T HA -0.121 4.254 4.350 0.042 0.000 0.266 528 T C 2.071 177.009 174.700 0.396 0.000 1.040 528 T CA 1.244 63.529 62.100 0.308 0.000 1.141 528 T CB -0.255 68.823 68.868 0.351 0.000 0.868 528 T HN 0.327 nan 8.240 nan 0.000 0.444 529 c N 1.617 120.425 118.600 0.347 0.000 2.440 529 c HA 0.177 4.772 4.570 0.042 0.000 0.278 529 c C 3.169 177.427 174.090 0.280 0.000 1.295 529 c CA 0.069 56.610 56.329 0.353 0.000 1.738 529 c CB -1.428 41.218 42.510 0.227 0.000 1.987 529 c HN 0.644 nan 8.230 nan 0.000 0.492 530 A N 0.450 123.398 122.820 0.213 0.000 1.917 530 A HA -0.264 4.081 4.320 0.042 0.000 0.219 530 A C 1.911 179.593 177.584 0.163 0.000 1.182 530 A CA 2.010 54.146 52.037 0.166 0.000 0.633 530 A CB -0.917 18.167 19.000 0.141 0.000 0.819 530 A HN 0.566 nan 8.150 nan 0.000 0.448 531 F N -0.948 118.997 119.950 -0.009 0.000 2.095 531 F HA -0.207 4.347 4.527 0.046 0.000 0.298 531 F C 1.960 177.699 175.800 -0.102 0.000 1.104 531 F CA 1.967 59.868 58.000 -0.164 0.000 1.232 531 F CB -0.509 38.130 39.000 -0.601 0.000 0.987 531 F HN 0.393 nan 8.300 nan 0.000 0.475 532 W N 0.308 121.601 121.300 -0.012 0.000 2.453 532 W HA -0.077 4.607 4.660 0.040 0.000 0.289 532 W C 2.064 178.539 176.519 -0.074 0.000 1.215 532 W CA 0.837 58.138 57.345 -0.073 0.000 1.297 532 W CB -0.404 29.128 29.460 0.120 0.000 1.113 532 W HN -0.041 nan 8.180 nan 0.000 0.551 533 N N -0.590 118.229 118.700 0.198 0.000 2.388 533 N HA 0.068 4.833 4.740 0.042 0.000 0.176 533 N C 1.448 176.989 175.510 0.051 0.000 1.062 533 N CA 0.743 53.862 53.050 0.115 0.000 0.895 533 N CB -0.092 38.463 38.487 0.113 0.000 1.018 533 N HN 0.217 nan 8.380 nan 0.000 0.456 534 R N -1.372 119.156 120.500 0.047 0.000 2.194 534 R HA 0.246 4.612 4.340 0.042 0.000 0.194 534 R C 1.278 177.591 176.300 0.022 0.000 0.985 534 R CA 0.032 56.156 56.100 0.041 0.000 1.104 534 R CB 0.012 30.358 30.300 0.077 0.000 1.092 534 R HN 0.041 nan 8.270 nan 0.000 0.555 535 F N 0.893 120.741 119.950 -0.170 0.000 2.164 535 F HA 0.079 4.632 4.527 0.043 0.000 0.287 535 F C 1.801 177.421 175.800 -0.300 0.000 1.086 535 F CA 0.640 58.506 58.000 -0.223 0.000 1.249 535 F CB -0.243 38.611 39.000 -0.244 0.000 1.059 535 F HN -0.165 nan 8.300 nan 0.000 0.490 536 L N 1.331 122.213 121.223 -0.568 0.000 2.042 536 L HA -0.092 4.274 4.340 0.042 0.000 0.210 536 L C -0.869 175.757 176.870 -0.406 0.000 1.076 536 L CA 2.146 56.614 54.840 -0.619 0.000 0.749 536 L CB -1.759 39.931 42.059 -0.615 0.000 0.893 536 L HN 0.024 nan 8.230 nan 0.000 0.432 537 P HA -0.214 nan 4.420 nan 0.000 0.216 537 P C 1.309 178.478 177.300 -0.218 0.000 1.150 537 P CA 1.359 64.359 63.100 -0.167 0.000 0.843 537 P CB 0.002 31.643 31.700 -0.097 0.000 0.787 538 K N -1.143 119.078 120.400 -0.299 0.000 2.585 538 K HA -0.028 4.318 4.320 0.042 0.000 0.194 538 K C 1.583 177.963 176.600 -0.367 0.000 1.037 538 K CA 0.352 56.459 56.287 -0.299 0.000 0.964 538 K CB -0.748 31.571 32.500 -0.301 0.000 0.787 538 K HN 0.103 nan 8.250 nan 0.000 0.488 539 L N -1.055 119.922 121.223 -0.410 0.000 2.042 539 L HA -0.060 4.305 4.340 0.042 0.000 0.204 539 L C 1.233 177.983 176.870 -0.199 0.000 1.130 539 L CA 0.949 55.564 54.840 -0.376 0.000 0.779 539 L CB -0.146 41.658 42.059 -0.426 0.000 0.918 539 L HN 0.231 nan 8.230 nan 0.000 0.450 540 L N -1.441 119.695 121.223 -0.144 0.000 3.530 540 L HA -0.426 3.939 4.340 0.042 0.000 0.357 540 L C 1.697 178.500 176.870 -0.113 0.000 2.051 540 L CA 1.908 56.670 54.840 -0.130 0.000 2.804 540 L CB -1.520 40.446 42.059 -0.156 0.000 1.640 540 L HN 0.565 nan 8.230 nan 0.000 0.757 541 S N -0.950 114.668 115.700 -0.136 0.000 2.215 541 S HA 0.447 4.943 4.470 0.042 0.000 0.153 541 S C 0.968 175.517 174.600 -0.084 0.000 1.352 541 S CA 0.371 58.509 58.200 -0.102 0.000 2.310 541 S CB -0.148 62.986 63.200 -0.110 0.000 0.348 541 S HN 0.971 nan 8.310 nan 0.000 0.354 542 A N 0.835 123.608 122.820 -0.078 0.000 3.125 542 A HA 0.418 4.764 4.320 0.042 0.000 0.272 542 A C 0.462 178.010 177.584 -0.060 0.000 1.976 542 A CA 1.067 53.069 52.037 -0.060 0.000 1.502 542 A CB -1.726 17.244 19.000 -0.050 0.000 0.959 542 A HN 0.950 nan 8.150 nan 0.000 0.608 543 T N -1.373 113.146 114.554 -0.059 0.000 3.820 543 T HA 0.252 4.627 4.350 0.042 0.000 0.154 543 T C -0.285 174.383 174.700 -0.055 0.000 0.487 543 T CA 0.141 62.211 62.100 -0.050 0.000 0.897 543 T CB -1.723 67.120 68.868 -0.042 0.000 1.411 543 T HN 1.767 nan 8.240 nan 0.000 0.529 544 A N 0.000 122.791 122.820 -0.049 0.000 2.254 544 A HA 0.000 4.345 4.320 0.042 0.000 0.244 544 A CA 0.000 52.012 52.037 -0.042 0.000 0.836 544 A CB 0.000 18.980 19.000 -0.034 0.000 0.831 544 A HN 0.000 nan 8.150 nan 0.000 0.486