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 3ek1_1_A DATA FIRST_RESID -1 DATA SEQUENCE GSMLALKDPS LLKSQCLVNG RWIDAADGTT IKVTNPADGS VIGTVPSLSV DATA SEQUENCE ATIKEAIDAS AKALSGWAAK TAKERAGILR KWFDLIIANA DDIALIMTSE DATA SEQUENCE QGKPLAEARG EVLYAASFIE WFAEEAKRVY GDTIPAPQNG QRLTVIRQPV DATA SEQUENCE GVTAAITPWN FPAAMITRKA APALAAGCTM IVRPADLTPL TALALGVLAE DATA SEQUENCE KAGIPAGVLQ IVTGKAREIG AELTSNDTVR KLSFTGSTEV GRLLMAQCAP DATA SEQUENCE TIKRISLELG GNAPFIVFDD ADLDAAVDGA MVSKYRNAGQ TCVCANRIYV DATA SEQUENCE QRGVYDKFAE KLAAKVKELK VGNGTEPGVV IGPMIEEKAI TKVKAHIEDA DATA SEQUENCE VSKGAKLITG GKELGGLFFE PGILTGVTSD MLVAKEETFG PLAPLFAFDT DATA SEQUENCE EEEVIAQAND TIFGLAAYFY TENFSRAIRV SEALEYGMVG HNTGLISNEV DATA SEQUENCE APFGGVKQSG LGREGSKYGI EEYLETKYIC SAYKR 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 -1 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.989 3.960 0.049 0.000 0.244 -1 G C 0.000 174.898 174.900 -0.004 0.000 0.946 -1 G CA 0.000 45.098 45.100 -0.004 0.000 0.502 0 S N -1.026 114.671 115.700 -0.004 0.000 2.638 0 S HA 0.884 5.383 4.470 0.049 0.000 0.274 0 S C -0.913 173.684 174.600 -0.005 0.000 1.157 0 S CA -0.396 57.801 58.200 -0.004 0.000 0.826 0 S CB 1.930 65.129 63.200 -0.002 0.000 1.139 0 S HN 1.125 nan 8.310 nan 0.000 0.474 1 M N 2.219 121.816 119.600 -0.005 0.000 2.603 1 M HA 0.407 4.916 4.480 0.049 0.000 0.275 1 M C -1.750 174.547 176.300 -0.005 0.000 1.226 1 M CA -0.707 54.589 55.300 -0.007 0.000 0.870 1 M CB 1.694 34.288 32.600 -0.010 0.000 1.716 1 M HN 0.776 nan 8.290 nan 0.000 0.482 2 L N 1.836 123.056 121.223 -0.005 0.000 2.506 2 L HA 0.157 4.526 4.340 0.049 0.000 0.281 2 L C 0.763 177.630 176.870 -0.004 0.000 1.228 2 L CA -0.182 54.656 54.840 -0.002 0.000 0.850 2 L CB 0.474 42.532 42.059 -0.001 0.000 1.110 2 L HN 0.838 nan 8.230 nan 0.000 0.496 3 A N 5.312 128.131 122.820 -0.002 0.000 3.077 3 A HA 0.358 4.707 4.320 0.049 0.000 0.255 3 A C 0.155 177.737 177.584 -0.003 0.000 1.728 3 A CA -0.356 51.680 52.037 -0.003 0.000 1.383 3 A CB -0.949 18.050 19.000 -0.001 0.000 1.097 3 A HN 0.563 nan 8.150 nan 0.000 0.634 4 L N 0.426 121.646 121.223 -0.006 0.000 2.416 4 L HA 0.124 4.493 4.340 0.049 0.000 0.272 4 L C 1.307 178.173 176.870 -0.007 0.000 1.161 4 L CA -0.311 54.526 54.840 -0.006 0.000 0.845 4 L CB 0.831 42.884 42.059 -0.011 0.000 1.119 4 L HN 0.552 nan 8.230 nan 0.000 0.464 5 K N 0.636 121.033 120.400 -0.005 0.000 2.103 5 K HA -0.071 4.278 4.320 0.049 0.000 0.204 5 K C 0.185 176.780 176.600 -0.008 0.000 1.052 5 K CA 0.892 57.176 56.287 -0.006 0.000 0.945 5 K CB 0.081 32.578 32.500 -0.004 0.000 0.722 5 K HN 0.453 nan 8.250 nan 0.000 0.443 6 D N 0.011 120.405 120.400 -0.010 0.000 2.454 6 D HA 0.112 4.782 4.640 0.049 0.000 0.247 6 D C -2.046 174.240 176.300 -0.024 0.000 1.129 6 D CA -2.535 51.456 54.000 -0.015 0.000 0.877 6 D CB 1.549 42.342 40.800 -0.011 0.000 1.082 6 D HN -0.161 nan 8.370 nan 0.000 0.537 7 P HA -0.114 nan 4.420 nan 0.000 0.223 7 P C 1.119 178.383 177.300 -0.060 0.000 1.151 7 P CA 0.597 63.674 63.100 -0.038 0.000 0.787 7 P CB 0.132 31.811 31.700 -0.035 0.000 0.788 8 S N -0.849 114.810 115.700 -0.067 0.000 2.603 8 S HA -0.008 4.492 4.470 0.049 0.000 0.229 8 S C 1.781 176.302 174.600 -0.133 0.000 0.972 8 S CA 0.320 58.455 58.200 -0.108 0.000 0.935 8 S CB -1.380 61.763 63.200 -0.095 0.000 0.769 8 S HN 0.100 nan 8.310 nan 0.000 0.536 9 L N 0.066 121.239 121.223 -0.083 0.000 2.418 9 L HA 0.341 4.710 4.340 0.049 0.000 0.218 9 L C 0.652 177.476 176.870 -0.077 0.000 1.125 9 L CA 0.047 54.849 54.840 -0.064 0.000 0.835 9 L CB -0.144 41.906 42.059 -0.015 0.000 0.953 9 L HN 0.332 nan 8.230 nan 0.000 0.454 10 L N 1.324 122.497 121.223 -0.084 0.000 2.261 10 L HA 0.346 4.715 4.340 0.049 0.000 0.289 10 L C -0.307 176.493 176.870 -0.115 0.000 1.059 10 L CA 0.137 54.936 54.840 -0.068 0.000 0.816 10 L CB 0.123 42.156 42.059 -0.044 0.000 1.191 10 L HN -0.148 nan 8.230 nan 0.000 0.431 11 K N 2.379 122.710 120.400 -0.114 0.000 2.221 11 K HA 0.549 4.898 4.320 0.049 0.000 0.243 11 K C 0.326 176.899 176.600 -0.046 0.000 0.968 11 K CA -0.184 56.006 56.287 -0.161 0.000 0.846 11 K CB 1.860 34.209 32.500 -0.253 0.000 1.141 11 K HN 0.569 nan 8.250 nan 0.000 0.434 12 S N -0.332 115.354 115.700 -0.024 0.000 2.855 12 S HA 0.238 4.738 4.470 0.049 0.000 0.249 12 S C -0.077 174.570 174.600 0.078 0.000 1.033 12 S CA -0.500 57.716 58.200 0.027 0.000 1.038 12 S CB 0.304 63.510 63.200 0.010 0.000 0.960 12 S HN 0.517 nan 8.310 nan 0.000 0.548 13 Q N -0.055 119.834 119.800 0.148 0.000 2.495 13 Q HA 0.596 4.965 4.340 0.049 0.000 0.287 13 Q C -1.310 174.921 176.000 0.384 0.000 1.078 13 Q CA -0.919 55.032 55.803 0.247 0.000 0.793 13 Q CB 2.092 31.021 28.738 0.319 0.000 1.459 13 Q HN 0.382 nan 8.270 nan 0.000 0.422 14 C N 1.123 120.572 119.300 0.249 0.000 2.364 14 C HA 0.544 5.033 4.460 0.049 0.000 0.356 14 C C -0.413 174.517 174.990 -0.100 0.000 1.201 14 C CA -0.548 58.540 59.018 0.117 0.000 2.227 14 C CB 0.265 28.023 27.740 0.032 0.000 2.387 14 C HN 0.648 nan 8.230 nan 0.000 0.546 15 L N 3.649 124.628 121.223 -0.406 0.000 2.259 15 L HA 0.654 5.023 4.340 0.049 0.000 0.288 15 L C -0.688 175.914 176.870 -0.447 0.000 1.051 15 L CA 0.463 54.800 54.840 -0.839 0.000 0.824 15 L CB 0.462 41.828 42.059 -1.154 0.000 1.206 15 L HN 0.521 nan 8.230 nan 0.000 0.429 16 V N 5.280 124.973 119.914 -0.368 0.000 2.482 16 V HA 0.352 4.502 4.120 0.049 0.000 0.295 16 V C 0.165 176.130 176.094 -0.215 0.000 1.026 16 V CA -0.862 61.301 62.300 -0.228 0.000 0.856 16 V CB 1.318 33.056 31.823 -0.142 0.000 1.001 16 V HN 0.823 nan 8.190 nan 0.000 0.424 17 N N 4.054 122.637 118.700 -0.195 0.000 2.688 17 N HA -0.205 4.565 4.740 0.049 0.000 0.258 17 N C 1.119 176.522 175.510 -0.178 0.000 1.016 17 N CA 1.857 54.809 53.050 -0.163 0.000 0.747 17 N CB -0.928 37.492 38.487 -0.112 0.000 0.895 17 N HN 1.699 nan 8.380 nan 0.000 0.543 18 G N -0.847 107.806 108.800 -0.244 0.000 2.184 18 G HA2 -0.341 3.648 3.960 0.049 0.000 0.264 18 G HA3 -0.341 3.648 3.960 0.049 0.000 0.264 18 G C 0.175 174.937 174.900 -0.229 0.000 0.975 18 G CA 0.773 45.738 45.100 -0.225 0.000 0.642 18 G HN 0.720 nan 8.290 nan 0.000 0.536 19 R N -1.553 118.782 120.500 -0.276 0.000 2.854 19 R HA 0.551 4.921 4.340 0.049 0.000 0.271 19 R C -1.034 175.051 176.300 -0.359 0.000 0.996 19 R CA -0.912 55.067 56.100 -0.202 0.000 0.961 19 R CB 1.151 31.402 30.300 -0.082 0.000 1.182 19 R HN 0.138 nan 8.270 nan 0.000 0.479 20 W N 3.670 124.960 121.300 -0.018 0.000 2.316 20 W HA 0.426 5.116 4.660 0.049 0.000 0.308 20 W C 0.196 176.710 176.519 -0.009 0.000 1.106 20 W CA -0.399 56.939 57.345 -0.013 0.000 1.262 20 W CB 0.697 30.151 29.460 -0.009 0.000 1.233 20 W HN 0.437 nan 8.180 nan 0.000 0.447 21 I N -0.215 120.446 120.570 0.151 0.000 2.892 21 I HA 0.595 4.795 4.170 0.049 0.000 0.306 21 I C -0.363 175.809 176.117 0.091 0.000 1.078 21 I CA -1.049 60.303 61.300 0.086 0.000 1.032 21 I CB 2.024 40.034 38.000 0.017 0.000 1.229 21 I HN 0.133 nan 8.210 nan 0.000 0.435 22 D N 2.557 122.996 120.400 0.066 0.000 2.437 22 D HA 0.485 5.155 4.640 0.049 0.000 0.259 22 D C -0.170 176.150 176.300 0.035 0.000 1.118 22 D CA -0.336 53.696 54.000 0.053 0.000 1.017 22 D CB 2.002 42.829 40.800 0.045 0.000 1.120 22 D HN 0.801 nan 8.370 nan 0.000 0.541 23 A N 0.173 123.011 122.820 0.030 0.000 2.462 23 A HA 0.369 4.718 4.320 0.049 0.000 0.243 23 A C 1.191 178.785 177.584 0.017 0.000 1.076 23 A CA 0.352 52.402 52.037 0.021 0.000 0.773 23 A CB 0.491 19.503 19.000 0.021 0.000 1.010 23 A HN 0.620 nan 8.150 nan 0.000 0.493 24 A N 1.828 124.655 122.820 0.012 0.000 1.948 24 A HA -0.191 4.158 4.320 0.049 0.000 0.220 24 A C 1.430 179.020 177.584 0.010 0.000 1.177 24 A CA 2.194 54.236 52.037 0.010 0.000 0.636 24 A CB -0.520 18.484 19.000 0.006 0.000 0.815 24 A HN 0.938 nan 8.150 nan 0.000 0.449 25 D N -2.642 117.765 120.400 0.011 0.000 2.328 25 D HA 0.295 4.965 4.640 0.049 0.000 0.221 25 D C 1.170 177.477 176.300 0.012 0.000 1.072 25 D CA 0.845 54.851 54.000 0.010 0.000 0.850 25 D CB -0.633 40.172 40.800 0.009 0.000 0.922 25 D HN 0.763 nan 8.370 nan 0.000 0.516 26 G N 0.439 109.247 108.800 0.015 0.000 2.189 26 G HA2 -0.318 3.672 3.960 0.049 0.000 0.267 26 G HA3 -0.318 3.672 3.960 0.049 0.000 0.267 26 G C 0.589 175.498 174.900 0.016 0.000 0.975 26 G CA 0.939 46.049 45.100 0.016 0.000 0.644 26 G HN 0.804 nan 8.290 nan 0.000 0.537 27 T N -0.662 113.901 114.554 0.016 0.000 2.868 27 T HA 0.641 5.021 4.350 0.049 0.000 0.292 27 T C 0.343 175.055 174.700 0.019 0.000 1.028 27 T CA 0.755 62.864 62.100 0.015 0.000 1.059 27 T CB 1.940 70.816 68.868 0.014 0.000 0.991 27 T HN 1.415 nan 8.240 nan 0.000 0.531 28 T N -1.140 113.426 114.554 0.019 0.000 2.864 28 T HA 0.690 5.070 4.350 0.049 0.000 0.299 28 T C -0.753 173.959 174.700 0.020 0.000 1.166 28 T CA -1.026 61.087 62.100 0.022 0.000 1.007 28 T CB 1.047 69.927 68.868 0.020 0.000 1.219 28 T HN 0.655 nan 8.240 nan 0.000 0.506 29 I N 0.986 121.570 120.570 0.023 0.000 2.433 29 I HA 0.426 4.625 4.170 0.049 0.000 0.292 29 I C -0.015 176.113 176.117 0.017 0.000 1.001 29 I CA -0.944 60.368 61.300 0.020 0.000 1.119 29 I CB 1.985 40.001 38.000 0.028 0.000 1.289 29 I HN 0.511 nan 8.210 nan 0.000 0.438 30 K N 4.726 125.131 120.400 0.010 0.000 2.234 30 K HA 0.473 4.822 4.320 0.049 0.000 0.282 30 K C -0.997 175.604 176.600 0.002 0.000 1.039 30 K CA -0.499 55.791 56.287 0.005 0.000 0.928 30 K CB 1.521 34.021 32.500 -0.000 0.000 1.039 30 K HN 0.290 nan 8.250 nan 0.000 0.470 31 V N 3.424 123.340 119.914 0.004 0.000 2.364 31 V HA 0.186 4.335 4.120 0.049 0.000 0.272 31 V C -0.073 176.015 176.094 -0.010 0.000 1.036 31 V CA -0.547 61.752 62.300 -0.001 0.000 0.880 31 V CB 1.267 33.096 31.823 0.010 0.000 0.991 31 V HN 0.755 nan 8.190 nan 0.000 0.460 32 T N 4.211 118.752 114.554 -0.023 0.000 2.823 32 T HA 0.274 4.654 4.350 0.049 0.000 0.279 32 T C 0.082 174.760 174.700 -0.037 0.000 0.998 32 T CA -0.489 61.594 62.100 -0.028 0.000 0.994 32 T CB 1.127 69.973 68.868 -0.036 0.000 0.960 32 T HN 0.625 nan 8.240 nan 0.000 0.448 33 N N 4.167 122.850 118.700 -0.028 0.000 2.431 33 N HA 0.099 4.869 4.740 0.049 0.000 0.265 33 N C -1.440 174.039 175.510 -0.051 0.000 1.184 33 N CA -1.965 51.067 53.050 -0.030 0.000 0.943 33 N CB 1.233 39.715 38.487 -0.009 0.000 1.080 33 N HN 0.270 nan 8.380 nan 0.000 0.477 34 P HA -0.023 nan 4.420 nan 0.000 0.233 34 P C 0.596 177.799 177.300 -0.161 0.000 1.167 34 P CA 0.497 63.512 63.100 -0.141 0.000 0.770 34 P CB 0.283 31.865 31.700 -0.197 0.000 0.837 35 A N 1.237 124.010 122.820 -0.079 0.000 2.016 35 A HA -0.103 4.246 4.320 0.049 0.000 0.217 35 A C 1.418 179.087 177.584 0.143 0.000 1.162 35 A CA 1.790 53.851 52.037 0.041 0.000 0.662 35 A CB -0.601 18.487 19.000 0.147 0.000 0.812 35 A HN 0.304 nan 8.150 nan 0.000 0.450 36 D N -4.969 115.469 120.400 0.063 0.000 2.523 36 D HA 0.261 4.930 4.640 0.049 0.000 0.269 36 D C 0.947 177.264 176.300 0.029 0.000 1.374 36 D CA 0.841 54.881 54.000 0.066 0.000 0.820 36 D CB -0.723 40.114 40.800 0.061 0.000 1.211 36 D HN 0.745 nan 8.370 nan 0.000 0.502 37 G N 0.980 109.783 108.800 0.004 0.000 2.220 37 G HA2 -0.331 3.658 3.960 0.049 0.000 0.269 37 G HA3 -0.331 3.658 3.960 0.049 0.000 0.269 37 G C 0.550 175.448 174.900 -0.003 0.000 0.977 37 G CA 0.689 45.786 45.100 -0.005 0.000 0.634 37 G HN 1.094 nan 8.290 nan 0.000 0.539 38 S N -0.490 115.211 115.700 0.003 0.000 2.558 38 S HA 0.441 4.940 4.470 0.049 0.000 0.288 38 S C 0.399 174.997 174.600 -0.003 0.000 1.318 38 S CA -0.029 58.172 58.200 0.001 0.000 1.056 38 S CB 2.009 65.212 63.200 0.005 0.000 0.853 38 S HN 1.098 nan 8.310 nan 0.000 0.505 39 V N 4.629 124.542 119.914 -0.003 0.000 2.432 39 V HA 0.203 4.352 4.120 0.049 0.000 0.271 39 V C 1.148 177.241 176.094 -0.002 0.000 1.046 39 V CA -0.318 61.980 62.300 -0.004 0.000 0.945 39 V CB 0.444 32.266 31.823 -0.003 0.000 0.992 39 V HN 0.970 nan 8.190 nan 0.000 0.471 40 I N 3.181 123.750 120.570 -0.002 0.000 2.585 40 I HA 0.337 4.537 4.170 0.049 0.000 0.254 40 I C 1.227 177.344 176.117 -0.000 0.000 1.129 40 I CA 1.195 62.495 61.300 -0.001 0.000 1.455 40 I CB 0.165 38.166 38.000 0.001 0.000 1.111 40 I HN 0.814 nan 8.210 nan 0.000 0.433 41 G N -0.286 108.515 108.800 0.002 0.000 2.313 41 G HA2 0.375 4.365 3.960 0.049 0.000 0.296 41 G HA3 0.375 4.365 3.960 0.049 0.000 0.296 41 G C -1.017 173.888 174.900 0.008 0.000 1.356 41 G CA -0.102 45.001 45.100 0.003 0.000 0.833 41 G HN 0.031 nan 8.290 nan 0.000 0.552 42 T N -2.501 112.060 114.554 0.012 0.000 2.942 42 T HA 0.891 5.270 4.350 0.049 0.000 0.289 42 T C -0.022 174.696 174.700 0.029 0.000 1.044 42 T CA -0.141 61.970 62.100 0.019 0.000 1.023 42 T CB 1.544 70.422 68.868 0.017 0.000 1.123 42 T HN 2.068 nan 8.240 nan 0.000 0.512 43 V N -2.559 117.377 119.914 0.037 0.000 3.130 43 V HA 0.835 4.985 4.120 0.049 0.000 0.310 43 V C -3.255 172.868 176.094 0.049 0.000 1.158 43 V CA -3.220 59.112 62.300 0.053 0.000 1.029 43 V CB 1.426 33.288 31.823 0.065 0.000 1.057 43 V HN 0.750 nan 8.190 nan 0.000 0.436 44 P HA 0.242 nan 4.420 nan 0.000 0.272 44 P C -0.504 176.820 177.300 0.040 0.000 1.223 44 P CA 0.108 63.236 63.100 0.046 0.000 0.784 44 P CB 0.801 32.531 31.700 0.051 0.000 0.923 45 S N 2.733 118.451 115.700 0.031 0.000 2.543 45 S HA 0.330 4.830 4.470 0.049 0.000 0.299 45 S C -0.148 174.466 174.600 0.023 0.000 1.125 45 S CA -0.619 57.598 58.200 0.027 0.000 1.098 45 S CB -1.172 62.042 63.200 0.023 0.000 1.063 45 S HN 0.206 nan 8.310 nan 0.000 0.493 46 L N 3.579 124.816 121.223 0.023 0.000 2.453 46 L HA 0.381 4.750 4.340 0.049 0.000 0.261 46 L C 1.058 177.936 176.870 0.013 0.000 1.179 46 L CA -0.592 54.258 54.840 0.016 0.000 0.813 46 L CB 0.873 42.939 42.059 0.013 0.000 1.110 46 L HN 0.647 nan 8.230 nan 0.000 0.466 47 S N 0.261 115.966 115.700 0.008 0.000 2.672 47 S HA 0.252 4.752 4.470 0.049 0.000 0.276 47 S C 1.000 175.603 174.600 0.003 0.000 1.207 47 S CA -0.966 57.238 58.200 0.006 0.000 1.002 47 S CB 1.684 64.886 63.200 0.005 0.000 0.998 47 S HN 0.319 nan 8.310 nan 0.000 0.542 48 V N 1.725 121.640 119.914 0.003 0.000 2.392 48 V HA -0.209 3.941 4.120 0.049 0.000 0.249 48 V C 2.961 179.054 176.094 -0.002 0.000 1.059 48 V CA 2.431 64.732 62.300 0.001 0.000 1.051 48 V CB -1.815 30.008 31.823 0.001 0.000 0.658 48 V HN 1.013 nan 8.190 nan 0.000 0.455 49 A N -0.070 122.749 122.820 -0.002 0.000 1.883 49 A HA -0.240 4.110 4.320 0.049 0.000 0.217 49 A C 2.415 179.995 177.584 -0.007 0.000 1.186 49 A CA 2.596 54.631 52.037 -0.004 0.000 0.624 49 A CB -1.018 17.980 19.000 -0.003 0.000 0.822 49 A HN 0.522 nan 8.150 nan 0.000 0.444 50 T N 0.688 115.238 114.554 -0.006 0.000 2.746 50 T HA -0.110 4.269 4.350 0.049 0.000 0.267 50 T C 1.789 176.480 174.700 -0.015 0.000 1.039 50 T CA 1.387 63.481 62.100 -0.011 0.000 1.142 50 T CB -0.336 68.527 68.868 -0.007 0.000 0.866 50 T HN 0.312 nan 8.240 nan 0.000 0.444 51 I N 1.860 122.424 120.570 -0.010 0.000 2.151 51 I HA -0.191 4.008 4.170 0.049 0.000 0.243 51 I C 2.238 178.347 176.117 -0.014 0.000 1.080 51 I CA 1.581 62.874 61.300 -0.012 0.000 1.339 51 I CB -1.045 36.952 38.000 -0.004 0.000 1.039 51 I HN 0.343 nan 8.210 nan 0.000 0.409 52 K N 0.609 121.002 120.400 -0.011 0.000 2.097 52 K HA -0.178 4.172 4.320 0.049 0.000 0.206 52 K C 1.970 178.560 176.600 -0.016 0.000 1.049 52 K CA 1.298 57.578 56.287 -0.012 0.000 0.933 52 K CB -0.166 32.329 32.500 -0.009 0.000 0.717 52 K HN 0.435 nan 8.250 nan 0.000 0.442 53 E N 0.741 120.930 120.200 -0.019 0.000 2.110 53 E HA -0.172 4.208 4.350 0.049 0.000 0.193 53 E C 2.055 178.635 176.600 -0.033 0.000 0.988 53 E CA 1.013 57.399 56.400 -0.024 0.000 0.804 53 E CB -0.114 29.571 29.700 -0.024 0.000 0.745 53 E HN 0.337 nan 8.360 nan 0.000 0.458 54 A N 1.123 123.920 122.820 -0.038 0.000 1.933 54 A HA -0.168 4.181 4.320 0.049 0.000 0.218 54 A C 2.170 179.726 177.584 -0.045 0.000 1.175 54 A CA 1.041 53.047 52.037 -0.051 0.000 0.628 54 A CB -0.526 18.441 19.000 -0.054 0.000 0.814 54 A HN 0.141 nan 8.150 nan 0.000 0.444 55 I N -0.034 120.518 120.570 -0.031 0.000 2.226 55 I HA -0.230 3.969 4.170 0.049 0.000 0.245 55 I C 1.786 177.889 176.117 -0.023 0.000 1.100 55 I CA 1.426 62.711 61.300 -0.024 0.000 1.374 55 I CB -0.474 37.518 38.000 -0.014 0.000 1.057 55 I HN 0.252 nan 8.210 nan 0.000 0.413 56 D N 1.248 121.635 120.400 -0.022 0.000 2.123 56 D HA -0.167 4.503 4.640 0.049 0.000 0.196 56 D C 2.249 178.534 176.300 -0.025 0.000 0.992 56 D CA 1.586 55.574 54.000 -0.019 0.000 0.833 56 D CB -0.249 40.540 40.800 -0.017 0.000 0.954 56 D HN 0.358 nan 8.370 nan 0.000 0.455 57 A N 0.412 123.210 122.820 -0.037 0.000 1.933 57 A HA -0.163 4.186 4.320 0.049 0.000 0.218 57 A C 2.362 179.914 177.584 -0.054 0.000 1.175 57 A CA 1.934 53.941 52.037 -0.049 0.000 0.628 57 A CB -0.677 18.282 19.000 -0.067 0.000 0.814 57 A HN 0.210 nan 8.150 nan 0.000 0.444 58 S N -0.571 115.096 115.700 -0.055 0.000 2.368 58 S HA -0.038 4.461 4.470 0.049 0.000 0.225 58 S C 2.207 176.790 174.600 -0.028 0.000 1.030 58 S CA 1.498 59.664 58.200 -0.057 0.000 0.999 58 S CB -0.445 62.724 63.200 -0.052 0.000 0.844 58 S HN 0.791 nan 8.310 nan 0.000 0.459 59 A N 1.165 123.976 122.820 -0.015 0.000 1.902 59 A HA -0.098 4.251 4.320 0.049 0.000 0.217 59 A C 2.029 179.616 177.584 0.004 0.000 1.181 59 A CA 2.135 54.172 52.037 0.000 0.000 0.623 59 A CB -0.677 18.323 19.000 0.000 0.000 0.818 59 A HN 0.513 nan 8.150 nan 0.000 0.443 60 K N 0.208 120.605 120.400 -0.006 0.000 2.097 60 K HA 0.054 4.404 4.320 0.049 0.000 0.205 60 K C 1.815 178.419 176.600 0.005 0.000 1.050 60 K CA 1.573 57.859 56.287 -0.002 0.000 0.938 60 K CB -0.479 32.014 32.500 -0.011 0.000 0.718 60 K HN 0.320 nan 8.250 nan 0.000 0.442 61 A N 0.196 123.013 122.820 -0.005 0.000 2.067 61 A HA 0.014 4.363 4.320 0.049 0.000 0.217 61 A C 1.946 179.570 177.584 0.067 0.000 1.156 61 A CA 0.957 52.997 52.037 0.005 0.000 0.683 61 A CB -0.498 18.468 19.000 -0.056 0.000 0.808 61 A HN 0.354 nan 8.150 nan 0.000 0.455 62 L N -0.331 120.931 121.223 0.065 0.000 2.046 62 L HA -0.087 4.283 4.340 0.049 0.000 0.208 62 L C 2.510 179.459 176.870 0.131 0.000 1.077 62 L CA 2.498 57.407 54.840 0.116 0.000 0.747 62 L CB -0.785 41.320 42.059 0.077 0.000 0.896 62 L HN 0.307 nan 8.230 nan 0.000 0.432 63 S N -0.642 115.107 115.700 0.081 0.000 2.356 63 S HA -0.134 4.365 4.470 0.049 0.000 0.223 63 S C 1.991 176.629 174.600 0.063 0.000 1.032 63 S CA 1.363 59.598 58.200 0.059 0.000 1.005 63 S CB -0.850 62.372 63.200 0.037 0.000 0.867 63 S HN 0.670 nan 8.310 nan 0.000 0.449 64 G N 0.109 108.958 108.800 0.083 0.000 2.403 64 G HA2 -0.178 3.811 3.960 0.049 0.000 0.216 64 G HA3 -0.178 3.811 3.960 0.049 0.000 0.216 64 G C 1.370 176.338 174.900 0.113 0.000 1.154 64 G CA 0.608 45.756 45.100 0.080 0.000 0.784 64 G HN 0.660 nan 8.290 nan 0.000 0.538 65 W N 1.590 122.877 121.300 -0.021 0.000 2.379 65 W HA -0.004 4.685 4.660 0.049 0.000 0.307 65 W C 2.457 178.966 176.519 -0.016 0.000 1.200 65 W CA 1.475 58.806 57.345 -0.023 0.000 1.297 65 W CB -0.124 29.317 29.460 -0.032 0.000 1.140 65 W HN 0.299 nan 8.180 nan 0.000 0.507 66 A N 0.751 123.562 122.820 -0.014 0.000 1.969 66 A HA -0.009 4.341 4.320 0.049 0.000 0.218 66 A C 2.039 179.543 177.584 -0.132 0.000 1.169 66 A CA 1.996 53.973 52.037 -0.100 0.000 0.635 66 A CB -1.125 17.884 19.000 0.014 0.000 0.810 66 A HN 0.287 nan 8.150 nan 0.000 0.445 67 A N -0.389 122.379 122.820 -0.087 0.000 2.167 67 A HA 0.099 4.449 4.320 0.049 0.000 0.214 67 A C 1.143 178.658 177.584 -0.116 0.000 1.151 67 A CA 0.276 52.266 52.037 -0.077 0.000 0.735 67 A CB -0.201 18.778 19.000 -0.035 0.000 0.802 67 A HN 0.507 nan 8.150 nan 0.000 0.467 68 K N 1.388 121.675 120.400 -0.189 0.000 2.380 68 K HA 0.209 4.558 4.320 0.049 0.000 0.267 68 K C 0.574 177.044 176.600 -0.216 0.000 0.990 68 K CA 0.476 56.630 56.287 -0.222 0.000 0.946 68 K CB 0.299 32.577 32.500 -0.370 0.000 0.937 68 K HN 0.451 nan 8.250 nan 0.000 0.491 69 T N -1.120 113.336 114.554 -0.163 0.000 2.856 69 T HA 0.111 4.490 4.350 0.049 0.000 0.306 69 T C 1.385 175.978 174.700 -0.177 0.000 1.062 69 T CA -0.202 61.815 62.100 -0.139 0.000 1.083 69 T CB 1.231 70.041 68.868 -0.096 0.000 0.984 69 T HN 0.581 nan 8.240 nan 0.000 0.542 70 A N 1.599 124.331 122.820 -0.146 0.000 1.908 70 A HA -0.119 4.231 4.320 0.049 0.000 0.218 70 A C 2.353 179.862 177.584 -0.125 0.000 1.181 70 A CA 2.065 54.015 52.037 -0.145 0.000 0.627 70 A CB -0.961 17.967 19.000 -0.120 0.000 0.818 70 A HN 1.016 nan 8.150 nan 0.000 0.445 71 K N 0.342 120.683 120.400 -0.099 0.000 2.063 71 K HA -0.241 4.108 4.320 0.049 0.000 0.208 71 K C 1.994 178.552 176.600 -0.070 0.000 1.048 71 K CA 1.895 58.139 56.287 -0.073 0.000 0.928 71 K CB -0.229 32.237 32.500 -0.056 0.000 0.713 71 K HN 0.792 nan 8.250 nan 0.000 0.442 72 E N -0.110 120.032 120.200 -0.096 0.000 2.216 72 E HA -0.154 4.226 4.350 0.049 0.000 0.192 72 E C 1.923 178.456 176.600 -0.112 0.000 0.988 72 E CA 0.372 56.721 56.400 -0.086 0.000 0.834 72 E CB -0.077 29.571 29.700 -0.087 0.000 0.772 72 E HN 0.277 nan 8.360 nan 0.000 0.479 73 R N 0.888 121.256 120.500 -0.220 0.000 2.073 73 R HA 0.014 4.383 4.340 0.049 0.000 0.229 73 R C 2.532 178.840 176.300 0.013 0.000 1.120 73 R CA 1.171 57.130 56.100 -0.235 0.000 0.967 73 R CB -0.362 29.657 30.300 -0.469 0.000 0.862 73 R HN 0.235 nan 8.270 nan 0.000 0.436 74 A N 1.012 123.824 122.820 -0.014 0.000 1.883 74 A HA -0.112 4.238 4.320 0.049 0.000 0.217 74 A C 2.404 180.026 177.584 0.064 0.000 1.186 74 A CA 1.867 53.919 52.037 0.025 0.000 0.624 74 A CB -1.210 17.773 19.000 -0.029 0.000 0.822 74 A HN 0.464 nan 8.150 nan 0.000 0.444 75 G N -0.138 108.690 108.800 0.047 0.000 2.418 75 G HA2 -0.189 3.801 3.960 0.049 0.000 0.217 75 G HA3 -0.189 3.801 3.960 0.049 0.000 0.217 75 G C 1.532 176.505 174.900 0.122 0.000 1.158 75 G CA 1.151 46.293 45.100 0.070 0.000 0.771 75 G HN 0.483 nan 8.290 nan 0.000 0.545 76 I N 0.270 120.928 120.570 0.147 0.000 2.202 76 I HA -0.113 4.087 4.170 0.049 0.000 0.242 76 I C 2.720 178.998 176.117 0.267 0.000 1.091 76 I CA 0.663 62.086 61.300 0.204 0.000 1.368 76 I CB -0.203 37.964 38.000 0.279 0.000 1.058 76 I HN 0.114 nan 8.210 nan 0.000 0.410 77 L N 0.192 121.595 121.223 0.300 0.000 2.079 77 L HA -0.239 4.131 4.340 0.049 0.000 0.210 77 L C 2.750 179.832 176.870 0.352 0.000 1.081 77 L CA 1.397 56.466 54.840 0.382 0.000 0.752 77 L CB -0.561 41.699 42.059 0.335 0.000 0.896 77 L HN 0.229 nan 8.230 nan 0.000 0.433 78 R N 0.477 121.123 120.500 0.244 0.000 2.092 78 R HA -0.154 4.216 4.340 0.049 0.000 0.231 78 R C 2.299 178.785 176.300 0.310 0.000 1.119 78 R CA 1.205 57.455 56.100 0.251 0.000 0.970 78 R CB 0.020 30.411 30.300 0.151 0.000 0.864 78 R HN 0.238 nan 8.270 nan 0.000 0.440 79 K N -0.550 120.001 120.400 0.252 0.000 2.063 79 K HA -0.225 4.124 4.320 0.049 0.000 0.208 79 K C 1.767 178.550 176.600 0.306 0.000 1.048 79 K CA 1.650 58.074 56.287 0.228 0.000 0.928 79 K CB -0.348 32.259 32.500 0.177 0.000 0.713 79 K HN 0.288 nan 8.250 nan 0.000 0.442 80 W N 1.258 122.642 121.300 0.141 0.000 2.358 80 W HA -0.208 4.480 4.660 0.048 0.000 0.303 80 W C 1.876 178.484 176.519 0.148 0.000 1.208 80 W CA 0.874 58.295 57.345 0.127 0.000 1.274 80 W CB -0.870 28.668 29.460 0.129 0.000 1.138 80 W HN 0.031 nan 8.180 nan 0.000 0.515 81 F N 2.030 122.044 119.950 0.107 0.000 2.069 81 F HA -0.269 4.290 4.527 0.054 0.000 0.298 81 F C 2.095 177.900 175.800 0.009 0.000 1.113 81 F CA 2.678 60.656 58.000 -0.036 0.000 1.214 81 F CB -0.886 38.116 39.000 0.002 0.000 0.978 81 F HN -0.253 nan 8.300 nan 0.000 0.474 82 D N 0.657 121.010 120.400 -0.079 0.000 2.149 82 D HA -0.189 4.481 4.640 0.049 0.000 0.198 82 D C 2.443 178.649 176.300 -0.156 0.000 0.990 82 D CA 1.588 55.470 54.000 -0.197 0.000 0.839 82 D CB -0.500 40.318 40.800 0.030 0.000 0.948 82 D HN 0.368 nan 8.370 nan 0.000 0.460 83 L N 0.126 121.336 121.223 -0.021 0.000 2.109 83 L HA -0.067 4.302 4.340 0.049 0.000 0.207 83 L C 2.426 179.280 176.870 -0.027 0.000 1.086 83 L CA 0.410 55.264 54.840 0.024 0.000 0.760 83 L CB -0.125 42.017 42.059 0.139 0.000 0.910 83 L HN -0.003 nan 8.230 nan 0.000 0.437 84 I N -0.452 120.067 120.570 -0.086 0.000 2.163 84 I HA -0.326 3.873 4.170 0.049 0.000 0.243 84 I C 2.341 178.365 176.117 -0.156 0.000 1.085 84 I CA 1.131 62.359 61.300 -0.121 0.000 1.347 84 I CB -0.254 37.628 38.000 -0.196 0.000 1.044 84 I HN 0.154 nan 8.210 nan 0.000 0.408 85 I N 1.079 121.474 120.570 -0.291 0.000 2.163 85 I HA -0.290 3.910 4.170 0.049 0.000 0.243 85 I C 2.781 178.811 176.117 -0.145 0.000 1.085 85 I CA 1.840 62.980 61.300 -0.267 0.000 1.347 85 I CB -1.632 36.094 38.000 -0.456 0.000 1.044 85 I HN 0.205 nan 8.210 nan 0.000 0.408 86 A N 0.353 123.099 122.820 -0.124 0.000 2.070 86 A HA -0.132 4.217 4.320 0.049 0.000 0.220 86 A C 1.666 179.228 177.584 -0.037 0.000 1.159 86 A CA 1.301 53.300 52.037 -0.064 0.000 0.656 86 A CB -0.495 18.480 19.000 -0.042 0.000 0.800 86 A HN 0.508 nan 8.150 nan 0.000 0.453 87 N N -0.791 117.889 118.700 -0.034 0.000 2.282 87 N HA 0.305 5.074 4.740 0.049 0.000 0.240 87 N C 1.179 176.683 175.510 -0.010 0.000 1.182 87 N CA 0.688 53.731 53.050 -0.012 0.000 0.874 87 N CB 0.704 39.196 38.487 0.008 0.000 1.126 87 N HN 0.408 nan 8.380 nan 0.000 0.516 88 A N 0.895 123.701 122.820 -0.022 0.000 1.898 88 A HA -0.127 4.222 4.320 0.049 0.000 0.216 88 A C 1.788 179.374 177.584 0.004 0.000 1.181 88 A CA 1.239 53.269 52.037 -0.012 0.000 0.620 88 A CB -0.050 18.938 19.000 -0.020 0.000 0.819 88 A HN 0.084 nan 8.150 nan 0.000 0.442 89 D N 0.207 120.608 120.400 0.001 0.000 2.117 89 D HA -0.128 4.541 4.640 0.049 0.000 0.197 89 D C 1.233 177.538 176.300 0.009 0.000 0.987 89 D CA 1.421 55.425 54.000 0.006 0.000 0.829 89 D CB -0.323 40.478 40.800 0.003 0.000 0.961 89 D HN 0.355 nan 8.370 nan 0.000 0.460 90 D N 0.401 120.805 120.400 0.007 0.000 2.117 90 D HA -0.050 4.620 4.640 0.049 0.000 0.198 90 D C 2.336 178.646 176.300 0.016 0.000 0.982 90 D CA 0.340 54.345 54.000 0.009 0.000 0.828 90 D CB -0.234 40.570 40.800 0.005 0.000 0.967 90 D HN 0.265 nan 8.370 nan 0.000 0.464 91 I N 1.158 121.741 120.570 0.021 0.000 2.226 91 I HA -0.261 3.938 4.170 0.049 0.000 0.245 91 I C 2.483 178.621 176.117 0.034 0.000 1.100 91 I CA 1.072 62.392 61.300 0.033 0.000 1.374 91 I CB -0.298 37.724 38.000 0.038 0.000 1.057 91 I HN -0.084 nan 8.210 nan 0.000 0.413 92 A N 0.919 123.757 122.820 0.030 0.000 1.883 92 A HA -0.233 4.117 4.320 0.049 0.000 0.217 92 A C 2.293 179.892 177.584 0.025 0.000 1.186 92 A CA 1.818 53.874 52.037 0.031 0.000 0.624 92 A CB -0.871 18.146 19.000 0.028 0.000 0.822 92 A HN 0.406 nan 8.150 nan 0.000 0.444 93 L N -0.127 121.107 121.223 0.020 0.000 2.046 93 L HA -0.095 4.274 4.340 0.049 0.000 0.208 93 L C 2.216 179.097 176.870 0.018 0.000 1.077 93 L CA 1.667 56.517 54.840 0.017 0.000 0.747 93 L CB -0.417 41.649 42.059 0.012 0.000 0.896 93 L HN 0.440 nan 8.230 nan 0.000 0.432 94 I N -0.986 119.595 120.570 0.020 0.000 2.127 94 I HA -0.369 3.831 4.170 0.049 0.000 0.241 94 I C 2.616 178.749 176.117 0.027 0.000 1.075 94 I CA 2.093 63.407 61.300 0.022 0.000 1.334 94 I CB -0.342 37.674 38.000 0.027 0.000 1.040 94 I HN 0.415 nan 8.210 nan 0.000 0.405 95 M N 0.229 119.849 119.600 0.033 0.000 2.065 95 M HA -0.248 4.261 4.480 0.049 0.000 0.259 95 M C 2.381 178.693 176.300 0.022 0.000 1.069 95 M CA 2.230 57.551 55.300 0.035 0.000 1.110 95 M CB -0.304 32.321 32.600 0.041 0.000 1.328 95 M HN 0.166 nan 8.290 nan 0.000 0.405 96 T N 0.538 115.102 114.554 0.018 0.000 2.759 96 T HA -0.128 4.251 4.350 0.049 0.000 0.269 96 T C 1.816 176.521 174.700 0.009 0.000 1.042 96 T CA 1.832 63.939 62.100 0.012 0.000 1.140 96 T CB -0.255 68.623 68.868 0.017 0.000 0.864 96 T HN 0.501 nan 8.240 nan 0.000 0.455 97 S N 1.400 117.107 115.700 0.011 0.000 2.356 97 S HA -0.151 4.348 4.470 0.049 0.000 0.223 97 S C 2.169 176.767 174.600 -0.002 0.000 1.032 97 S CA 1.559 59.764 58.200 0.007 0.000 1.005 97 S CB -0.283 62.922 63.200 0.009 0.000 0.867 97 S HN 0.836 nan 8.310 nan 0.000 0.449 98 E N 0.249 120.451 120.200 0.003 0.000 2.230 98 E HA -0.014 4.366 4.350 0.049 0.000 0.192 98 E C 2.063 178.652 176.600 -0.020 0.000 0.987 98 E CA 0.589 56.987 56.400 -0.004 0.000 0.841 98 E CB -0.091 29.619 29.700 0.015 0.000 0.783 98 E HN 0.318 nan 8.360 nan 0.000 0.481 99 Q N 0.093 119.888 119.800 -0.008 0.000 2.423 99 Q HA 0.084 4.453 4.340 0.049 0.000 0.231 99 Q C 1.255 177.230 176.000 -0.042 0.000 0.894 99 Q CA 1.365 57.165 55.803 -0.006 0.000 0.938 99 Q CB 1.206 29.971 28.738 0.045 0.000 1.079 99 Q HN 0.458 nan 8.270 nan 0.000 0.552 100 G N 1.736 110.513 108.800 -0.038 0.000 2.278 100 G HA2 -0.248 3.741 3.960 0.049 0.000 0.210 100 G HA3 -0.248 3.741 3.960 0.049 0.000 0.210 100 G C 0.031 174.921 174.900 -0.016 0.000 1.000 100 G CA 0.138 45.208 45.100 -0.050 0.000 0.635 100 G HN 0.408 nan 8.290 nan 0.000 0.495 101 K N 1.463 121.853 120.400 -0.017 0.000 2.380 101 K HA 0.452 4.801 4.320 0.049 0.000 0.267 101 K C -2.607 173.999 176.600 0.010 0.000 0.990 101 K CA -1.037 55.243 56.287 -0.011 0.000 0.946 101 K CB 0.459 32.931 32.500 -0.048 0.000 0.937 101 K HN 0.121 nan 8.250 nan 0.000 0.491 102 P HA -0.043 nan 4.420 nan 0.000 0.267 102 P C 0.629 177.942 177.300 0.022 0.000 1.200 102 P CA -0.112 63.005 63.100 0.028 0.000 0.772 102 P CB 0.441 32.158 31.700 0.029 0.000 0.855 103 L N 1.779 123.015 121.223 0.022 0.000 2.081 103 L HA -0.294 4.075 4.340 0.049 0.000 0.212 103 L C 2.293 179.177 176.870 0.023 0.000 1.080 103 L CA 2.143 56.996 54.840 0.021 0.000 0.754 103 L CB -0.872 41.198 42.059 0.019 0.000 0.893 103 L HN 0.450 nan 8.230 nan 0.000 0.433 104 A N -0.642 122.191 122.820 0.022 0.000 1.930 104 A HA -0.183 4.167 4.320 0.049 0.000 0.217 104 A C 2.191 179.794 177.584 0.031 0.000 1.175 104 A CA 1.382 53.433 52.037 0.024 0.000 0.627 104 A CB -0.289 18.722 19.000 0.019 0.000 0.815 104 A HN 0.438 nan 8.150 nan 0.000 0.443 105 E N -0.279 119.939 120.200 0.029 0.000 2.046 105 E HA -0.062 4.318 4.350 0.049 0.000 0.190 105 E C 2.405 179.031 176.600 0.044 0.000 0.982 105 E CA 0.775 57.196 56.400 0.035 0.000 0.800 105 E CB -0.275 29.436 29.700 0.017 0.000 0.756 105 E HN 0.584 nan 8.360 nan 0.000 0.449 106 A N 1.860 124.698 122.820 0.031 0.000 1.892 106 A HA -0.273 4.077 4.320 0.049 0.000 0.218 106 A C 2.129 179.751 177.584 0.063 0.000 1.188 106 A CA 1.975 54.036 52.037 0.040 0.000 0.631 106 A CB -0.584 18.433 19.000 0.028 0.000 0.822 106 A HN 0.120 nan 8.150 nan 0.000 0.447 107 R N -0.712 119.819 120.500 0.051 0.000 2.075 107 R HA -0.064 4.305 4.340 0.049 0.000 0.232 107 R C 2.268 178.611 176.300 0.072 0.000 1.126 107 R CA 1.570 57.700 56.100 0.051 0.000 0.963 107 R CB -0.768 29.553 30.300 0.035 0.000 0.858 107 R HN 0.434 nan 8.270 nan 0.000 0.435 108 G N 0.652 109.497 108.800 0.076 0.000 2.440 108 G HA2 -0.350 3.639 3.960 0.049 0.000 0.218 108 G HA3 -0.350 3.639 3.960 0.049 0.000 0.218 108 G C 1.282 176.277 174.900 0.159 0.000 1.154 108 G CA 0.967 46.124 45.100 0.094 0.000 0.767 108 G HN 0.561 nan 8.290 nan 0.000 0.552 109 E N 0.004 120.318 120.200 0.191 0.000 2.072 109 E HA -0.097 4.282 4.350 0.049 0.000 0.191 109 E C 2.616 179.389 176.600 0.290 0.000 0.985 109 E CA 1.072 57.666 56.400 0.324 0.000 0.801 109 E CB -0.094 29.817 29.700 0.351 0.000 0.750 109 E HN 0.254 nan 8.360 nan 0.000 0.452 110 V N 1.652 121.670 119.914 0.174 0.000 2.332 110 V HA -0.280 3.869 4.120 0.049 0.000 0.248 110 V C 2.501 178.661 176.094 0.110 0.000 1.055 110 V CA 1.543 63.913 62.300 0.117 0.000 1.038 110 V CB -0.484 31.377 31.823 0.063 0.000 0.651 110 V HN 0.372 nan 8.190 nan 0.000 0.450 111 L N -1.253 120.041 121.223 0.119 0.000 2.046 111 L HA -0.200 4.169 4.340 0.049 0.000 0.208 111 L C 2.527 179.500 176.870 0.172 0.000 1.077 111 L CA 2.083 56.992 54.840 0.115 0.000 0.747 111 L CB -0.782 41.335 42.059 0.097 0.000 0.896 111 L HN 0.440 nan 8.230 nan 0.000 0.432 112 Y N 1.194 121.535 120.300 0.068 0.000 2.097 112 Y HA -0.298 4.281 4.550 0.048 0.000 0.282 112 Y C 2.557 178.559 175.900 0.169 0.000 1.152 112 Y CA 1.330 59.469 58.100 0.065 0.000 1.136 112 Y CB -0.492 38.016 38.460 0.079 0.000 0.975 112 Y HN 0.087 nan 8.280 nan 0.000 0.498 113 A N 0.988 123.880 122.820 0.121 0.000 1.903 113 A HA -0.268 4.082 4.320 0.049 0.000 0.219 113 A C 2.483 180.120 177.584 0.088 0.000 1.191 113 A CA 2.741 54.819 52.037 0.069 0.000 0.638 113 A CB -1.723 17.316 19.000 0.064 0.000 0.823 113 A HN 0.719 nan 8.150 nan 0.000 0.451 114 A N 0.085 122.953 122.820 0.079 0.000 1.933 114 A HA -0.101 4.249 4.320 0.049 0.000 0.218 114 A C 2.504 180.248 177.584 0.266 0.000 1.175 114 A CA 2.452 54.584 52.037 0.159 0.000 0.628 114 A CB -1.080 17.997 19.000 0.128 0.000 0.814 114 A HN 1.197 nan 8.150 nan 0.000 0.444 115 S N -0.692 115.064 115.700 0.093 0.000 2.400 115 S HA -0.190 4.310 4.470 0.049 0.000 0.232 115 S C 1.686 176.088 174.600 -0.331 0.000 1.025 115 S CA 1.566 59.673 58.200 -0.155 0.000 0.993 115 S CB -0.875 62.170 63.200 -0.258 0.000 0.808 115 S HN 0.403 nan 8.310 nan 0.000 0.478 116 F N 1.680 121.571 119.950 -0.098 0.000 2.171 116 F HA 0.136 4.691 4.527 0.046 0.000 0.300 116 F C 2.231 178.127 175.800 0.161 0.000 1.090 116 F CA 0.887 58.907 58.000 0.033 0.000 1.293 116 F CB -0.532 38.479 39.000 0.018 0.000 1.013 116 F HN 0.197 nan 8.300 nan 0.000 0.486 117 I N -0.258 120.424 120.570 0.187 0.000 2.252 117 I HA -0.251 3.948 4.170 0.049 0.000 0.245 117 I C 2.511 178.630 176.117 0.004 0.000 1.102 117 I CA 1.447 62.824 61.300 0.127 0.000 1.385 117 I CB -0.521 37.466 38.000 -0.022 0.000 1.064 117 I HN 0.168 nan 8.210 nan 0.000 0.414 118 E N 0.987 121.001 120.200 -0.309 0.000 2.038 118 E HA -0.289 4.090 4.350 0.049 0.000 0.195 118 E C 2.180 178.608 176.600 -0.286 0.000 1.000 118 E CA 1.719 57.749 56.400 -0.616 0.000 0.803 118 E CB -0.303 28.638 29.700 -1.265 0.000 0.750 118 E HN 0.606 nan 8.360 nan 0.000 0.448 119 W N 0.392 121.452 121.300 -0.399 0.000 2.335 119 W HA -0.247 4.433 4.660 0.035 0.000 0.311 119 W C 1.564 177.833 176.519 -0.417 0.000 1.213 119 W CA 1.188 58.268 57.345 -0.441 0.000 1.274 119 W CB -0.478 28.624 29.460 -0.596 0.000 1.148 119 W HN 0.124 nan 8.180 nan 0.000 0.498 120 F N 1.062 121.013 119.950 0.002 0.000 2.407 120 F HA -0.031 4.523 4.527 0.045 0.000 0.299 120 F C 2.699 178.431 175.800 -0.114 0.000 1.097 120 F CA 1.622 59.587 58.000 -0.059 0.000 1.422 120 F CB -1.323 37.744 39.000 0.113 0.000 1.067 120 F HN -0.097 nan 8.300 nan 0.000 0.539 121 A N 0.046 122.884 122.820 0.030 0.000 1.933 121 A HA -0.202 4.148 4.320 0.049 0.000 0.218 121 A C 2.140 179.651 177.584 -0.121 0.000 1.175 121 A CA 1.844 53.879 52.037 -0.004 0.000 0.628 121 A CB -0.628 18.376 19.000 0.005 0.000 0.814 121 A HN 0.427 nan 8.150 nan 0.000 0.444 122 E N -0.552 119.491 120.200 -0.261 0.000 2.072 122 E HA -0.135 4.244 4.350 0.049 0.000 0.190 122 E C 1.966 178.332 176.600 -0.391 0.000 0.982 122 E CA 0.896 57.089 56.400 -0.345 0.000 0.803 122 E CB -0.124 29.291 29.700 -0.476 0.000 0.755 122 E HN 0.490 nan 8.360 nan 0.000 0.453 123 E N 0.838 120.742 120.200 -0.494 0.000 2.110 123 E HA -0.188 4.192 4.350 0.049 0.000 0.193 123 E C 2.119 178.605 176.600 -0.191 0.000 0.988 123 E CA 0.948 57.123 56.400 -0.374 0.000 0.804 123 E CB -0.306 29.234 29.700 -0.267 0.000 0.745 123 E HN 0.238 nan 8.360 nan 0.000 0.458 124 A N 1.728 124.487 122.820 -0.102 0.000 1.940 124 A HA -0.256 4.093 4.320 0.049 0.000 0.221 124 A C 1.940 179.435 177.584 -0.149 0.000 1.190 124 A CA 1.987 53.976 52.037 -0.079 0.000 0.647 124 A CB -0.440 18.533 19.000 -0.046 0.000 0.821 124 A HN 0.180 nan 8.150 nan 0.000 0.457 125 K N -1.180 119.111 120.400 -0.182 0.000 2.444 125 K HA 0.105 4.455 4.320 0.049 0.000 0.193 125 K C 0.723 177.146 176.600 -0.295 0.000 1.024 125 K CA 0.284 56.461 56.287 -0.184 0.000 1.077 125 K CB 0.204 32.621 32.500 -0.139 0.000 0.833 125 K HN 0.374 nan 8.250 nan 0.000 0.517 126 R N 0.813 121.056 120.500 -0.429 0.000 2.652 126 R HA 0.152 4.522 4.340 0.049 0.000 0.372 126 R C -0.565 175.196 176.300 -0.898 0.000 1.104 126 R CA -0.163 55.414 56.100 -0.871 0.000 1.072 126 R CB 1.000 30.955 30.300 -0.574 0.000 1.367 126 R HN -0.129 nan 8.270 nan 0.000 0.577 127 V N 2.891 122.503 119.914 -0.504 0.000 2.302 127 V HA 0.054 4.203 4.120 0.049 0.000 0.244 127 V C -0.428 175.528 176.094 -0.229 0.000 1.160 127 V CA -0.001 62.133 62.300 -0.277 0.000 1.127 127 V CB -0.808 30.946 31.823 -0.115 0.000 1.253 127 V HN 0.160 nan 8.190 nan 0.000 0.496 128 Y N 2.688 122.994 120.300 0.009 0.000 2.304 128 Y HA 0.624 5.194 4.550 0.034 0.000 0.328 128 Y C 1.034 176.947 175.900 0.022 0.000 1.123 128 Y CA -0.261 57.844 58.100 0.008 0.000 1.218 128 Y CB 0.996 39.458 38.460 0.002 0.000 1.207 128 Y HN 0.575 nan 8.280 nan 0.000 0.495 129 G N 1.460 110.371 108.800 0.186 0.000 2.606 129 G HA2 0.471 4.461 3.960 0.049 0.000 0.262 129 G HA3 0.471 4.461 3.960 0.049 0.000 0.262 129 G C -0.951 174.012 174.900 0.105 0.000 1.394 129 G CA -0.778 44.397 45.100 0.125 0.000 1.044 129 G HN 0.532 nan 8.290 nan 0.000 0.553 130 D N -0.796 119.651 120.400 0.079 0.000 2.547 130 D HA 0.497 5.166 4.640 0.049 0.000 0.231 130 D C -0.492 175.839 176.300 0.051 0.000 1.099 130 D CA -0.210 53.823 54.000 0.056 0.000 0.901 130 D CB 1.948 42.779 40.800 0.052 0.000 1.478 130 D HN 0.524 nan 8.370 nan 0.000 0.471 131 T N -1.837 112.737 114.554 0.033 0.000 2.829 131 T HA 0.750 5.129 4.350 0.049 0.000 0.280 131 T C -0.193 174.525 174.700 0.030 0.000 0.999 131 T CA -0.711 61.410 62.100 0.035 0.000 0.983 131 T CB 0.791 69.669 68.868 0.018 0.000 0.968 131 T HN 0.282 nan 8.240 nan 0.000 0.446 132 I N 3.334 123.929 120.570 0.041 0.000 2.466 132 I HA 0.380 4.580 4.170 0.049 0.000 0.289 132 I C -2.448 173.689 176.117 0.034 0.000 1.026 132 I CA -2.844 58.473 61.300 0.028 0.000 1.078 132 I CB 2.370 40.379 38.000 0.014 0.000 1.249 132 I HN 0.423 nan 8.210 nan 0.000 0.429 133 P HA 0.031 nan 4.420 nan 0.000 0.262 133 P C -0.528 176.795 177.300 0.038 0.000 1.182 133 P CA -0.060 63.057 63.100 0.029 0.000 0.761 133 P CB 0.509 32.220 31.700 0.019 0.000 0.795 134 A N 6.096 128.949 122.820 0.055 0.000 2.409 134 A HA 0.347 4.697 4.320 0.049 0.000 0.262 134 A C -1.051 176.563 177.584 0.049 0.000 1.113 134 A CA -0.897 51.180 52.037 0.067 0.000 0.790 134 A CB -0.439 18.617 19.000 0.093 0.000 1.046 134 A HN 0.435 nan 8.150 nan 0.000 0.496 135 P HA -0.091 nan 4.420 nan 0.000 0.222 135 P C 0.023 177.342 177.300 0.031 0.000 1.147 135 P CA 1.231 64.349 63.100 0.029 0.000 0.790 135 P CB 0.215 31.929 31.700 0.023 0.000 0.780 136 Q N -0.453 119.371 119.800 0.040 0.000 2.342 136 Q HA 0.281 4.650 4.340 0.049 0.000 0.267 136 Q C -0.296 175.726 176.000 0.037 0.000 1.038 136 Q CA -0.960 54.861 55.803 0.031 0.000 0.832 136 Q CB 1.312 30.065 28.738 0.025 0.000 1.323 136 Q HN -0.014 nan 8.270 nan 0.000 0.448 137 N N 0.283 118.995 118.700 0.020 0.000 2.453 137 N HA 0.095 4.864 4.740 0.049 0.000 0.253 137 N C 0.814 176.302 175.510 -0.037 0.000 1.252 137 N CA 1.412 54.472 53.050 0.016 0.000 0.917 137 N CB 0.930 39.416 38.487 -0.001 0.000 1.117 137 N HN 0.963 nan 8.380 nan 0.000 0.442 138 G N 0.445 109.189 108.800 -0.094 0.000 2.162 138 G HA2 -0.256 3.733 3.960 0.049 0.000 0.260 138 G HA3 -0.256 3.733 3.960 0.049 0.000 0.260 138 G C -0.109 174.733 174.900 -0.096 0.000 0.976 138 G CA 0.136 45.002 45.100 -0.390 0.000 0.655 138 G HN 0.604 nan 8.290 nan 0.000 0.533 139 Q N -1.028 118.866 119.800 0.157 0.000 2.413 139 Q HA 0.765 5.134 4.340 0.049 0.000 0.276 139 Q C -0.531 175.610 176.000 0.236 0.000 1.099 139 Q CA -1.093 54.832 55.803 0.204 0.000 0.814 139 Q CB 1.787 30.593 28.738 0.114 0.000 1.379 139 Q HN 0.118 nan 8.270 nan 0.000 0.436 140 R N 1.438 122.043 120.500 0.174 0.000 2.575 140 R HA 0.562 4.932 4.340 0.049 0.000 0.293 140 R C -1.312 175.050 176.300 0.103 0.000 0.983 140 R CA -0.534 55.628 56.100 0.104 0.000 0.887 140 R CB 1.259 31.575 30.300 0.026 0.000 1.184 140 R HN 0.583 nan 8.270 nan 0.000 0.445 141 L N 1.955 123.250 121.223 0.120 0.000 2.322 141 L HA 0.650 5.019 4.340 0.049 0.000 0.281 141 L C 0.041 176.997 176.870 0.144 0.000 1.014 141 L CA -0.649 54.307 54.840 0.193 0.000 0.815 141 L CB 2.072 44.275 42.059 0.240 0.000 1.247 141 L HN 0.431 nan 8.230 nan 0.000 0.421 142 T N 1.707 116.357 114.554 0.161 0.000 2.906 142 T HA 0.605 4.984 4.350 0.049 0.000 0.295 142 T C -0.643 174.159 174.700 0.170 0.000 1.061 142 T CA -0.474 61.697 62.100 0.118 0.000 1.000 142 T CB 2.753 71.658 68.868 0.062 0.000 1.103 142 T HN 0.217 nan 8.240 nan 0.000 0.486 143 V N 3.865 123.857 119.914 0.129 0.000 2.483 143 V HA 0.615 4.765 4.120 0.049 0.000 0.297 143 V C -0.194 175.955 176.094 0.092 0.000 1.027 143 V CA -0.866 61.511 62.300 0.129 0.000 0.855 143 V CB 1.194 33.084 31.823 0.113 0.000 0.995 143 V HN 0.827 nan 8.190 nan 0.000 0.424 144 I N 2.193 122.812 120.570 0.081 0.000 2.910 144 I HA 0.805 5.004 4.170 0.049 0.000 0.310 144 I C -0.576 175.578 176.117 0.062 0.000 1.043 144 I CA -1.129 60.208 61.300 0.062 0.000 1.053 144 I CB 2.381 40.407 38.000 0.043 0.000 1.242 144 I HN 0.456 nan 8.210 nan 0.000 0.452 145 R N 3.110 123.641 120.500 0.052 0.000 2.513 145 R HA 0.562 4.931 4.340 0.049 0.000 0.301 145 R C -1.259 175.064 176.300 0.038 0.000 0.968 145 R CA -0.663 55.468 56.100 0.051 0.000 0.872 145 R CB 2.308 32.642 30.300 0.057 0.000 1.177 145 R HN 0.665 nan 8.270 nan 0.000 0.444 146 Q N 2.462 122.286 119.800 0.041 0.000 2.433 146 Q HA 0.464 4.834 4.340 0.049 0.000 0.279 146 Q C -2.514 173.516 176.000 0.050 0.000 1.105 146 Q CA -2.447 53.377 55.803 0.034 0.000 0.815 146 Q CB 2.793 31.548 28.738 0.029 0.000 1.403 146 Q HN 0.311 nan 8.270 nan 0.000 0.435 147 P HA -0.025 nan 4.420 nan 0.000 0.271 147 P C 0.335 177.684 177.300 0.082 0.000 1.218 147 P CA -0.027 63.124 63.100 0.084 0.000 0.780 147 P CB 0.870 32.626 31.700 0.094 0.000 0.901 148 V N 1.339 121.312 119.914 0.099 0.000 2.427 148 V HA 0.033 4.182 4.120 0.049 0.000 0.248 148 V C 1.581 177.718 176.094 0.072 0.000 1.051 148 V CA 2.592 64.937 62.300 0.074 0.000 1.048 148 V CB -1.334 30.527 31.823 0.064 0.000 0.666 148 V HN 1.068 nan 8.190 nan 0.000 0.456 149 G N -1.060 107.795 108.800 0.093 0.000 2.204 149 G HA2 -0.087 3.902 3.960 0.049 0.000 0.153 149 G HA3 -0.087 3.902 3.960 0.049 0.000 0.153 149 G C -0.609 174.340 174.900 0.081 0.000 1.295 149 G CA -0.273 44.875 45.100 0.079 0.000 1.257 149 G HN 0.137 nan 8.290 nan 0.000 0.495 150 V N 2.379 122.326 119.914 0.056 0.000 2.521 150 V HA 0.528 4.677 4.120 0.049 0.000 0.286 150 V C 1.008 177.135 176.094 0.055 0.000 1.034 150 V CA 0.996 63.321 62.300 0.042 0.000 1.045 150 V CB 0.370 32.206 31.823 0.022 0.000 0.974 150 V HN 1.392 nan 8.190 nan 0.000 0.480 151 T N 2.209 116.800 114.554 0.062 0.000 2.906 151 T HA 0.877 5.256 4.350 0.049 0.000 0.295 151 T C -0.632 174.109 174.700 0.069 0.000 1.075 151 T CA -0.455 61.703 62.100 0.096 0.000 1.005 151 T CB 2.216 71.203 68.868 0.199 0.000 1.136 151 T HN 1.050 nan 8.240 nan 0.000 0.498 152 A N 0.731 123.599 122.820 0.081 0.000 2.414 152 A HA 0.946 5.296 4.320 0.049 0.000 0.306 152 A C -0.366 177.275 177.584 0.095 0.000 1.054 152 A CA -0.777 51.299 52.037 0.066 0.000 0.724 152 A CB 1.349 20.378 19.000 0.049 0.000 1.267 152 A HN 1.628 nan 8.150 nan 0.000 0.418 153 A N 1.724 124.596 122.820 0.086 0.000 2.355 153 A HA 0.811 5.160 4.320 0.049 0.000 0.317 153 A C -0.883 176.768 177.584 0.112 0.000 1.094 153 A CA -0.391 51.708 52.037 0.103 0.000 0.764 153 A CB 0.664 19.709 19.000 0.074 0.000 1.230 153 A HN 0.766 nan 8.150 nan 0.000 0.448 154 I N 2.309 122.977 120.570 0.163 0.000 2.439 154 I HA 0.432 4.632 4.170 0.049 0.000 0.285 154 I C -0.039 176.147 176.117 0.116 0.000 1.021 154 I CA -0.309 61.111 61.300 0.200 0.000 1.091 154 I CB 2.464 40.667 38.000 0.339 0.000 1.242 154 I HN 0.757 nan 8.210 nan 0.000 0.439 155 T N 3.675 118.260 114.554 0.050 0.000 2.887 155 T HA 0.699 5.078 4.350 0.049 0.000 0.288 155 T C -2.769 171.908 174.700 -0.038 0.000 1.021 155 T CA -2.052 60.025 62.100 -0.038 0.000 1.000 155 T CB 2.364 71.233 68.868 0.001 0.000 1.034 155 T HN 0.211 nan 8.240 nan 0.000 0.467 156 P HA 0.302 nan 4.420 nan 0.000 0.284 156 P C 0.775 178.029 177.300 -0.076 0.000 1.292 156 P CA -0.880 62.112 63.100 -0.180 0.000 0.800 156 P CB 0.928 32.394 31.700 -0.390 0.000 1.188 157 W N 0.746 122.078 121.300 0.054 0.000 2.863 157 W HA 0.012 4.703 4.660 0.051 0.000 0.258 157 W C 0.844 177.381 176.519 0.031 0.000 1.298 157 W CA 0.479 57.849 57.345 0.043 0.000 1.451 157 W CB -1.625 27.853 29.460 0.030 0.000 1.107 157 W HN 0.240 nan 8.180 nan 0.000 0.641 158 N N 1.595 120.125 118.700 -0.283 0.000 2.354 158 N HA -0.139 4.630 4.740 0.049 0.000 0.179 158 N C -0.212 175.109 175.510 -0.316 0.000 1.021 158 N CA 0.619 53.565 53.050 -0.173 0.000 0.887 158 N CB -1.122 37.138 38.487 -0.377 0.000 0.974 158 N HN 0.050 nan 8.380 nan 0.000 0.437 159 F N 0.272 120.219 119.950 -0.004 0.000 2.550 159 F HA 0.439 4.997 4.527 0.052 0.000 0.348 159 F C -1.800 174.030 175.800 0.050 0.000 1.219 159 F CA -2.156 55.872 58.000 0.047 0.000 1.203 159 F CB 2.179 41.212 39.000 0.056 0.000 1.436 159 F HN -0.126 nan 8.300 nan 0.000 0.541 160 P HA -0.084 nan 4.420 nan 0.000 0.230 160 P C 1.095 178.470 177.300 0.125 0.000 1.158 160 P CA 0.963 64.139 63.100 0.127 0.000 0.769 160 P CB 0.414 32.182 31.700 0.114 0.000 0.807 161 A N -0.251 122.657 122.820 0.146 0.000 1.938 161 A HA 0.381 4.730 4.320 0.049 0.000 0.207 161 A C 2.235 179.872 177.584 0.087 0.000 1.292 161 A CA 0.916 53.022 52.037 0.115 0.000 0.700 161 A CB -1.193 17.876 19.000 0.115 0.000 0.947 161 A HN 0.108 nan 8.150 nan 0.000 0.476 162 A N -0.580 122.327 122.820 0.145 0.000 1.902 162 A HA -0.096 4.254 4.320 0.049 0.000 0.217 162 A C 2.068 179.564 177.584 -0.147 0.000 1.181 162 A CA 2.036 54.069 52.037 -0.006 0.000 0.623 162 A CB -0.530 18.541 19.000 0.118 0.000 0.818 162 A HN 0.367 nan 8.150 nan 0.000 0.443 163 M N -0.341 119.241 119.600 -0.030 0.000 2.202 163 M HA -0.051 4.458 4.480 0.049 0.000 0.262 163 M C 1.973 178.220 176.300 -0.088 0.000 1.063 163 M CA 1.016 56.264 55.300 -0.086 0.000 1.097 163 M CB -1.255 31.329 32.600 -0.026 0.000 1.382 163 M HN 0.440 nan 8.290 nan 0.000 0.413 164 I N -0.462 120.088 120.570 -0.032 0.000 2.286 164 I HA -0.245 3.955 4.170 0.049 0.000 0.245 164 I C 2.348 178.445 176.117 -0.033 0.000 1.104 164 I CA 1.679 62.978 61.300 -0.001 0.000 1.397 164 I CB -0.561 37.476 38.000 0.061 0.000 1.072 164 I HN 0.364 nan 8.210 nan 0.000 0.417 165 T N -1.417 113.086 114.554 -0.085 0.000 2.904 165 T HA -0.109 4.270 4.350 0.049 0.000 0.267 165 T C 1.968 176.566 174.700 -0.170 0.000 1.059 165 T CA 0.711 62.748 62.100 -0.104 0.000 1.137 165 T CB -0.359 68.442 68.868 -0.112 0.000 0.879 165 T HN 0.238 nan 8.240 nan 0.000 0.467 166 R N 1.034 121.284 120.500 -0.416 0.000 2.189 166 R HA 0.103 4.473 4.340 0.049 0.000 0.223 166 R C 2.389 178.532 176.300 -0.260 0.000 1.092 166 R CA 1.120 56.868 56.100 -0.587 0.000 0.989 166 R CB -0.035 29.755 30.300 -0.850 0.000 0.876 166 R HN 0.485 nan 8.270 nan 0.000 0.457 167 K N -0.630 119.669 120.400 -0.168 0.000 2.240 167 K HA 0.189 4.538 4.320 0.049 0.000 0.202 167 K C 2.045 178.500 176.600 -0.241 0.000 1.053 167 K CA 0.653 56.875 56.287 -0.108 0.000 0.973 167 K CB 0.090 32.593 32.500 0.005 0.000 0.924 167 K HN 0.013 nan 8.250 nan 0.000 0.477 168 A N 1.837 124.591 122.820 -0.109 0.000 1.933 168 A HA -0.100 4.250 4.320 0.049 0.000 0.218 168 A C 2.354 179.917 177.584 -0.035 0.000 1.175 168 A CA 1.905 53.913 52.037 -0.048 0.000 0.628 168 A CB -0.703 18.390 19.000 0.155 0.000 0.814 168 A HN 0.315 nan 8.150 nan 0.000 0.444 169 A N 0.400 123.217 122.820 -0.005 0.000 1.858 169 A HA -0.044 4.305 4.320 0.049 0.000 0.216 169 A C 0.490 177.978 177.584 -0.161 0.000 1.190 169 A CA 1.712 53.801 52.037 0.086 0.000 0.617 169 A CB -1.495 17.665 19.000 0.266 0.000 0.827 169 A HN 0.509 nan 8.150 nan 0.000 0.443 170 P HA -0.103 nan 4.420 nan 0.000 0.217 170 P C 1.625 178.563 177.300 -0.603 0.000 1.151 170 P CA 1.902 64.441 63.100 -0.935 0.000 0.828 170 P CB -0.172 30.754 31.700 -1.291 0.000 0.788 171 A N 0.100 122.365 122.820 -0.925 0.000 1.865 171 A HA -0.177 4.172 4.320 0.049 0.000 0.217 171 A C 2.263 179.756 177.584 -0.152 0.000 1.191 171 A CA 1.774 53.369 52.037 -0.737 0.000 0.623 171 A CB -1.643 16.941 19.000 -0.694 0.000 0.826 171 A HN 0.101 nan 8.150 nan 0.000 0.444 172 L N -0.571 120.623 121.223 -0.049 0.000 2.109 172 L HA -0.018 4.351 4.340 0.049 0.000 0.207 172 L C 2.983 180.079 176.870 0.376 0.000 1.086 172 L CA 1.684 56.675 54.840 0.252 0.000 0.760 172 L CB -0.893 41.272 42.059 0.176 0.000 0.910 172 L HN 0.395 nan 8.230 nan 0.000 0.437 173 A N -0.490 122.442 122.820 0.187 0.000 1.908 173 A HA -0.212 4.138 4.320 0.049 0.000 0.218 173 A C 2.416 180.044 177.584 0.073 0.000 1.181 173 A CA 1.886 54.008 52.037 0.141 0.000 0.627 173 A CB -0.903 18.192 19.000 0.158 0.000 0.818 173 A HN 0.387 nan 8.150 nan 0.000 0.445 174 A N -2.272 120.588 122.820 0.067 0.000 2.119 174 A HA 0.360 4.710 4.320 0.049 0.000 0.217 174 A C 1.927 179.544 177.584 0.056 0.000 1.153 174 A CA 1.516 53.592 52.037 0.064 0.000 0.692 174 A CB -0.775 18.290 19.000 0.108 0.000 0.799 174 A HN 1.963 nan 8.150 nan 0.000 0.458 175 G N -2.678 106.189 108.800 0.113 0.000 2.163 175 G HA2 -0.209 3.780 3.960 0.049 0.000 0.213 175 G HA3 -0.209 3.780 3.960 0.049 0.000 0.213 175 G C 0.198 175.276 174.900 0.297 0.000 0.991 175 G CA -0.096 45.053 45.100 0.082 0.000 0.653 175 G HN 0.594 nan 8.290 nan 0.000 0.518 176 C N 1.344 120.812 119.300 0.281 0.000 2.480 176 C HA 0.822 5.312 4.460 0.049 0.000 0.358 176 C C 1.333 176.421 174.990 0.163 0.000 1.309 176 C CA 0.440 59.585 59.018 0.211 0.000 2.465 176 C CB 0.909 28.736 27.740 0.145 0.000 2.379 176 C HN 0.863 nan 8.230 nan 0.000 0.642 177 T N -0.174 114.407 114.554 0.045 0.000 2.944 177 T HA 0.697 5.076 4.350 0.049 0.000 0.284 177 T C -0.778 173.884 174.700 -0.064 0.000 1.010 177 T CA -0.612 61.430 62.100 -0.098 0.000 1.025 177 T CB 1.317 70.127 68.868 -0.097 0.000 1.079 177 T HN 0.767 nan 8.240 nan 0.000 0.516 178 M N 2.063 121.596 119.600 -0.113 0.000 2.322 178 M HA 0.570 5.079 4.480 0.049 0.000 0.286 178 M C -2.133 174.123 176.300 -0.074 0.000 1.111 178 M CA -0.855 54.405 55.300 -0.067 0.000 0.941 178 M CB 1.706 34.262 32.600 -0.072 0.000 1.671 178 M HN 0.693 nan 8.290 nan 0.000 0.470 179 I N 4.798 125.347 120.570 -0.035 0.000 2.354 179 I HA 0.495 4.694 4.170 0.049 0.000 0.292 179 I C -0.916 175.199 176.117 -0.002 0.000 0.989 179 I CA -0.961 60.319 61.300 -0.033 0.000 1.188 179 I CB 1.780 39.765 38.000 -0.025 0.000 1.342 179 I HN 0.355 nan 8.210 nan 0.000 0.457 180 V N 6.822 126.734 119.914 -0.003 0.000 2.448 180 V HA 0.446 4.595 4.120 0.049 0.000 0.295 180 V C 0.030 176.146 176.094 0.036 0.000 1.025 180 V CA -0.706 61.610 62.300 0.027 0.000 0.859 180 V CB 1.848 33.691 31.823 0.034 0.000 0.988 180 V HN 0.661 nan 8.190 nan 0.000 0.431 181 R N 6.881 127.415 120.500 0.056 0.000 2.288 181 R HA 0.487 4.857 4.340 0.049 0.000 0.326 181 R C -2.724 173.625 176.300 0.082 0.000 0.959 181 R CA -1.580 54.559 56.100 0.065 0.000 0.834 181 R CB 2.261 32.602 30.300 0.069 0.000 1.157 181 R HN 0.487 nan 8.270 nan 0.000 0.470 182 P HA 0.246 nan 4.420 nan 0.000 0.284 182 P C -1.024 176.342 177.300 0.111 0.000 1.287 182 P CA -0.554 62.603 63.100 0.095 0.000 0.824 182 P CB 1.129 32.888 31.700 0.098 0.000 1.180 183 A N 1.043 123.944 122.820 0.134 0.000 2.462 183 A HA 0.068 4.417 4.320 0.049 0.000 0.243 183 A C 1.090 178.762 177.584 0.146 0.000 1.076 183 A CA 0.050 52.192 52.037 0.175 0.000 0.773 183 A CB -0.683 18.481 19.000 0.274 0.000 1.010 183 A HN 0.484 nan 8.150 nan 0.000 0.493 184 D N 1.605 122.079 120.400 0.125 0.000 2.221 184 D HA -0.130 4.539 4.640 0.049 0.000 0.204 184 D C 1.643 177.982 176.300 0.065 0.000 0.982 184 D CA 1.263 55.313 54.000 0.083 0.000 0.857 184 D CB -0.085 40.752 40.800 0.062 0.000 0.934 184 D HN 0.589 nan 8.370 nan 0.000 0.475 185 L N -0.141 121.127 121.223 0.074 0.000 2.291 185 L HA -0.028 4.342 4.340 0.049 0.000 0.214 185 L C 0.852 177.752 176.870 0.050 0.000 1.120 185 L CA 1.099 55.946 54.840 0.011 0.000 0.799 185 L CB -0.010 41.979 42.059 -0.116 0.000 0.925 185 L HN 0.075 nan 8.230 nan 0.000 0.446 186 T N -4.961 109.663 114.554 0.116 0.000 3.734 186 T HA 0.256 4.636 4.350 0.049 0.000 0.238 186 T C -2.111 172.655 174.700 0.110 0.000 1.205 186 T CA -0.959 61.209 62.100 0.113 0.000 1.606 186 T CB 0.787 69.753 68.868 0.164 0.000 0.832 186 T HN -0.096 nan 8.240 nan 0.000 0.655 187 P HA 0.228 nan 4.420 nan 0.000 0.239 187 P C 1.504 178.862 177.300 0.096 0.000 1.188 187 P CA -0.092 63.065 63.100 0.096 0.000 0.794 187 P CB 0.334 32.087 31.700 0.087 0.000 0.937 188 L N -0.375 120.896 121.223 0.080 0.000 2.093 188 L HA -0.089 4.280 4.340 0.049 0.000 0.208 188 L C 2.486 179.405 176.870 0.082 0.000 1.085 188 L CA 1.709 56.591 54.840 0.071 0.000 0.755 188 L CB -1.704 40.383 42.059 0.046 0.000 0.904 188 L HN -0.015 nan 8.230 nan 0.000 0.435 189 T N 0.146 114.751 114.554 0.085 0.000 2.746 189 T HA -0.175 4.205 4.350 0.049 0.000 0.267 189 T C 2.061 176.832 174.700 0.118 0.000 1.039 189 T CA 1.395 63.550 62.100 0.092 0.000 1.142 189 T CB -0.221 68.701 68.868 0.089 0.000 0.866 189 T HN 0.446 nan 8.240 nan 0.000 0.444 190 A N 1.315 124.210 122.820 0.125 0.000 1.877 190 A HA 0.016 4.365 4.320 0.049 0.000 0.216 190 A C 2.310 180.004 177.584 0.183 0.000 1.186 190 A CA 1.200 53.325 52.037 0.147 0.000 0.620 190 A CB -0.858 18.219 19.000 0.127 0.000 0.822 190 A HN 0.480 nan 8.150 nan 0.000 0.443 191 L N -0.724 120.610 121.223 0.185 0.000 2.046 191 L HA -0.202 4.168 4.340 0.049 0.000 0.208 191 L C 3.086 180.103 176.870 0.244 0.000 1.077 191 L CA 1.043 56.043 54.840 0.267 0.000 0.747 191 L CB -0.667 41.538 42.059 0.244 0.000 0.896 191 L HN 0.433 nan 8.230 nan 0.000 0.432 192 A N 0.366 123.276 122.820 0.149 0.000 1.908 192 A HA -0.183 4.167 4.320 0.049 0.000 0.218 192 A C 2.273 179.977 177.584 0.199 0.000 1.181 192 A CA 1.561 53.671 52.037 0.121 0.000 0.627 192 A CB -0.734 18.316 19.000 0.083 0.000 0.818 192 A HN 0.378 nan 8.150 nan 0.000 0.445 193 L N -0.842 120.526 121.223 0.240 0.000 2.083 193 L HA -0.115 4.254 4.340 0.049 0.000 0.209 193 L C 2.803 179.942 176.870 0.450 0.000 1.083 193 L CA 0.989 56.051 54.840 0.370 0.000 0.752 193 L CB -0.757 41.510 42.059 0.347 0.000 0.899 193 L HN 0.496 nan 8.230 nan 0.000 0.433 194 G N -0.431 108.568 108.800 0.332 0.000 2.408 194 G HA2 -0.176 3.814 3.960 0.049 0.000 0.217 194 G HA3 -0.176 3.814 3.960 0.049 0.000 0.217 194 G C 1.601 176.703 174.900 0.335 0.000 1.150 194 G CA 0.784 46.039 45.100 0.259 0.000 0.776 194 G HN 0.176 nan 8.290 nan 0.000 0.542 195 V N 1.061 121.225 119.914 0.417 0.000 2.287 195 V HA -0.165 3.984 4.120 0.049 0.000 0.248 195 V C 2.896 179.110 176.094 0.199 0.000 1.053 195 V CA 1.614 64.096 62.300 0.303 0.000 1.027 195 V CB -0.437 31.427 31.823 0.069 0.000 0.646 195 V HN 0.356 nan 8.190 nan 0.000 0.447 196 L N -0.125 121.234 121.223 0.227 0.000 2.156 196 L HA -0.068 4.302 4.340 0.049 0.000 0.208 196 L C 2.723 179.674 176.870 0.133 0.000 1.095 196 L CA 1.161 56.154 54.840 0.254 0.000 0.770 196 L CB -0.831 41.445 42.059 0.361 0.000 0.914 196 L HN 0.347 nan 8.230 nan 0.000 0.439 197 A N 0.207 122.923 122.820 -0.174 0.000 1.908 197 A HA -0.229 4.120 4.320 0.049 0.000 0.218 197 A C 2.216 179.575 177.584 -0.375 0.000 1.181 197 A CA 1.722 53.257 52.037 -0.837 0.000 0.627 197 A CB -0.384 18.025 19.000 -0.984 0.000 0.818 197 A HN 0.441 nan 8.150 nan 0.000 0.445 198 E N -0.623 119.488 120.200 -0.149 0.000 2.028 198 E HA -0.208 4.171 4.350 0.049 0.000 0.191 198 E C 2.122 178.708 176.600 -0.022 0.000 0.988 198 E CA 1.357 57.718 56.400 -0.066 0.000 0.799 198 E CB -0.203 29.540 29.700 0.073 0.000 0.755 198 E HN 0.637 nan 8.360 nan 0.000 0.447 199 K N 0.674 121.091 120.400 0.029 0.000 2.152 199 K HA -0.140 4.209 4.320 0.049 0.000 0.206 199 K C 1.914 178.540 176.600 0.044 0.000 1.048 199 K CA 1.132 57.448 56.287 0.049 0.000 0.933 199 K CB -0.055 32.490 32.500 0.075 0.000 0.721 199 K HN 0.061 nan 8.250 nan 0.000 0.447 200 A N -0.207 122.628 122.820 0.026 0.000 2.168 200 A HA 0.121 4.471 4.320 0.049 0.000 0.215 200 A C 1.318 178.924 177.584 0.037 0.000 1.152 200 A CA 1.063 53.136 52.037 0.060 0.000 0.716 200 A CB -0.335 18.728 19.000 0.106 0.000 0.794 200 A HN 0.528 nan 8.150 nan 0.000 0.465 201 G N -1.152 107.643 108.800 -0.010 0.000 2.131 201 G HA2 -0.172 3.817 3.960 0.049 0.000 0.201 201 G HA3 -0.172 3.817 3.960 0.049 0.000 0.201 201 G C 0.019 174.904 174.900 -0.025 0.000 1.000 201 G CA -0.035 45.068 45.100 0.005 0.000 0.680 201 G HN 0.405 nan 8.290 nan 0.000 0.514 202 I N 2.220 122.699 120.570 -0.152 0.000 2.517 202 I HA 0.205 4.405 4.170 0.049 0.000 0.285 202 I C -1.425 174.531 176.117 -0.269 0.000 1.106 202 I CA -1.676 59.442 61.300 -0.303 0.000 1.402 202 I CB 0.847 38.527 38.000 -0.534 0.000 1.399 202 I HN -0.055 nan 8.210 nan 0.000 0.535 203 P HA 0.122 nan 4.420 nan 0.000 0.274 203 P C -0.579 176.603 177.300 -0.196 0.000 1.237 203 P CA -0.499 62.518 63.100 -0.137 0.000 0.793 203 P CB 0.584 32.269 31.700 -0.026 0.000 0.977 204 A N 1.777 124.514 122.820 -0.139 0.000 2.580 204 A HA 0.342 4.692 4.320 0.049 0.000 0.244 204 A C 1.557 179.045 177.584 -0.160 0.000 1.045 204 A CA 1.015 52.962 52.037 -0.150 0.000 0.761 204 A CB -1.683 17.256 19.000 -0.103 0.000 0.962 204 A HN 0.900 nan 8.150 nan 0.000 0.512 205 G N 1.173 109.856 108.800 -0.194 0.000 2.225 205 G HA2 -0.278 3.712 3.960 0.049 0.000 0.254 205 G HA3 -0.278 3.712 3.960 0.049 0.000 0.254 205 G C 0.970 175.737 174.900 -0.222 0.000 0.988 205 G CA 0.629 45.622 45.100 -0.178 0.000 0.625 205 G HN 1.233 nan 8.290 nan 0.000 0.527 206 V N -0.061 119.664 119.914 -0.316 0.000 2.323 206 V HA 0.299 4.449 4.120 0.049 0.000 0.244 206 V C 1.227 177.056 176.094 -0.442 0.000 1.041 206 V CA 1.993 64.008 62.300 -0.474 0.000 1.025 206 V CB -0.023 31.292 31.823 -0.847 0.000 0.656 206 V HN 0.518 nan 8.190 nan 0.000 0.451 207 L N 0.445 121.418 121.223 -0.417 0.000 2.362 207 L HA 0.559 4.928 4.340 0.049 0.000 0.275 207 L C -0.727 175.978 176.870 -0.274 0.000 0.998 207 L CA 0.101 54.743 54.840 -0.330 0.000 0.820 207 L CB 1.740 43.561 42.059 -0.397 0.000 1.270 207 L HN 0.220 nan 8.230 nan 0.000 0.415 208 Q N 5.164 124.843 119.800 -0.203 0.000 2.389 208 Q HA 0.647 5.017 4.340 0.049 0.000 0.277 208 Q C -1.531 174.390 176.000 -0.131 0.000 1.082 208 Q CA -0.621 55.065 55.803 -0.195 0.000 0.810 208 Q CB 3.087 31.725 28.738 -0.166 0.000 1.374 208 Q HN 0.608 nan 8.270 nan 0.000 0.422 209 I N 2.119 122.608 120.570 -0.135 0.000 2.439 209 I HA 0.421 4.620 4.170 0.049 0.000 0.285 209 I C -0.642 175.455 176.117 -0.034 0.000 1.021 209 I CA -1.085 60.185 61.300 -0.049 0.000 1.091 209 I CB 1.754 39.753 38.000 -0.001 0.000 1.242 209 I HN 0.310 nan 8.210 nan 0.000 0.439 210 V N 2.210 122.121 119.914 -0.005 0.000 2.540 210 V HA 0.838 4.988 4.120 0.049 0.000 0.302 210 V C -0.029 176.085 176.094 0.033 0.000 1.035 210 V CA -0.311 61.991 62.300 0.004 0.000 0.873 210 V CB 1.469 33.288 31.823 -0.007 0.000 0.992 210 V HN 0.782 nan 8.190 nan 0.000 0.428 211 T N 0.946 115.525 114.554 0.041 0.000 2.912 211 T HA 1.016 5.395 4.350 0.049 0.000 0.288 211 T C 0.226 174.951 174.700 0.043 0.000 1.030 211 T CA -0.115 62.016 62.100 0.052 0.000 1.020 211 T CB 1.516 70.422 68.868 0.064 0.000 1.056 211 T HN 2.314 nan 8.240 nan 0.000 0.480 212 G N 1.066 109.893 108.800 0.045 0.000 2.350 212 G HA2 0.257 4.246 3.960 0.049 0.000 0.282 212 G HA3 0.257 4.246 3.960 0.049 0.000 0.282 212 G C -1.710 173.214 174.900 0.040 0.000 1.314 212 G CA -1.241 43.881 45.100 0.037 0.000 0.915 212 G HN 0.824 nan 8.290 nan 0.000 0.499 213 K N 0.530 120.950 120.400 0.032 0.000 2.350 213 K HA 0.509 4.858 4.320 0.049 0.000 0.279 213 K C 1.405 178.027 176.600 0.037 0.000 1.027 213 K CA 0.290 56.596 56.287 0.033 0.000 0.969 213 K CB 1.600 34.114 32.500 0.024 0.000 0.954 213 K HN 0.738 nan 8.250 nan 0.000 0.474 214 A N 3.798 126.646 122.820 0.046 0.000 1.877 214 A HA -0.192 4.158 4.320 0.049 0.000 0.216 214 A C 2.207 179.810 177.584 0.031 0.000 1.186 214 A CA 1.520 53.589 52.037 0.053 0.000 0.620 214 A CB -0.330 18.715 19.000 0.074 0.000 0.822 214 A HN 0.874 nan 8.150 nan 0.000 0.443 215 R N -0.389 120.124 120.500 0.021 0.000 2.070 215 R HA -0.177 4.192 4.340 0.049 0.000 0.232 215 R C 2.078 178.379 176.300 0.003 0.000 1.138 215 R CA 1.940 58.043 56.100 0.006 0.000 0.936 215 R CB -0.294 30.009 30.300 0.005 0.000 0.839 215 R HN 0.503 nan 8.270 nan 0.000 0.429 216 E N 0.440 120.645 120.200 0.008 0.000 2.051 216 E HA -0.162 4.217 4.350 0.049 0.000 0.192 216 E C 1.929 178.533 176.600 0.006 0.000 0.991 216 E CA 1.722 58.125 56.400 0.006 0.000 0.799 216 E CB -0.136 29.569 29.700 0.008 0.000 0.748 216 E HN 0.398 nan 8.360 nan 0.000 0.449 217 I N 0.122 120.700 120.570 0.013 0.000 2.179 217 I HA -0.188 4.012 4.170 0.049 0.000 0.242 217 I C 2.395 178.519 176.117 0.011 0.000 1.088 217 I CA 1.253 62.562 61.300 0.015 0.000 1.357 217 I CB -0.651 37.363 38.000 0.024 0.000 1.051 217 I HN 0.207 nan 8.210 nan 0.000 0.409 218 G N 0.595 109.401 108.800 0.010 0.000 2.440 218 G HA2 -0.253 3.736 3.960 0.049 0.000 0.218 218 G HA3 -0.253 3.736 3.960 0.049 0.000 0.218 218 G C 1.879 176.769 174.900 -0.018 0.000 1.154 218 G CA 0.866 45.963 45.100 -0.005 0.000 0.767 218 G HN 0.491 nan 8.290 nan 0.000 0.552 219 A N 0.858 123.668 122.820 -0.016 0.000 1.883 219 A HA -0.092 4.258 4.320 0.049 0.000 0.217 219 A C 2.198 179.775 177.584 -0.011 0.000 1.186 219 A CA 2.350 54.377 52.037 -0.017 0.000 0.624 219 A CB -0.452 18.540 19.000 -0.013 0.000 0.822 219 A HN 0.419 nan 8.150 nan 0.000 0.444 220 E N 0.170 120.366 120.200 -0.006 0.000 2.047 220 E HA -0.100 4.279 4.350 0.049 0.000 0.191 220 E C 1.841 178.439 176.600 -0.004 0.000 0.987 220 E CA 1.259 57.656 56.400 -0.004 0.000 0.799 220 E CB -0.476 29.223 29.700 -0.002 0.000 0.752 220 E HN 0.567 nan 8.360 nan 0.000 0.449 221 L N 0.368 121.590 121.223 -0.001 0.000 2.079 221 L HA -0.174 4.195 4.340 0.049 0.000 0.210 221 L C 2.483 179.353 176.870 -0.001 0.000 1.081 221 L CA 1.889 56.730 54.840 0.003 0.000 0.752 221 L CB -0.755 41.312 42.059 0.012 0.000 0.896 221 L HN 0.354 nan 8.230 nan 0.000 0.433 222 T N -4.999 109.549 114.554 -0.010 0.000 3.081 222 T HA -0.009 4.370 4.350 0.049 0.000 0.255 222 T C 1.731 176.422 174.700 -0.014 0.000 1.113 222 T CA 0.681 62.772 62.100 -0.016 0.000 1.082 222 T CB -0.010 68.839 68.868 -0.032 0.000 0.939 222 T HN 0.390 nan 8.240 nan 0.000 0.506 223 S N 0.524 116.218 115.700 -0.011 0.000 2.497 223 S HA 0.167 4.666 4.470 0.049 0.000 0.218 223 S C 0.839 175.436 174.600 -0.006 0.000 1.023 223 S CA -0.546 57.648 58.200 -0.010 0.000 0.913 223 S CB -0.518 62.676 63.200 -0.010 0.000 0.800 223 S HN 0.418 nan 8.310 nan 0.000 0.505 224 N N 2.459 121.156 118.700 -0.004 0.000 2.452 224 N HA 0.069 4.839 4.740 0.049 0.000 0.266 224 N C -0.235 175.275 175.510 -0.001 0.000 1.175 224 N CA 0.221 53.269 53.050 -0.003 0.000 0.945 224 N CB 0.913 39.399 38.487 -0.002 0.000 1.063 224 N HN 0.055 nan 8.380 nan 0.000 0.472 225 D N 2.337 122.737 120.400 -0.001 0.000 2.228 225 D HA -0.130 4.540 4.640 0.049 0.000 0.203 225 D C 1.170 177.473 176.300 0.004 0.000 0.988 225 D CA 1.474 55.475 54.000 0.001 0.000 0.864 225 D CB 0.149 40.950 40.800 0.001 0.000 0.928 225 D HN 0.581 nan 8.370 nan 0.000 0.469 226 T N -0.002 114.554 114.554 0.004 0.000 2.821 226 T HA -0.036 4.343 4.350 0.049 0.000 0.267 226 T C 0.993 175.699 174.700 0.011 0.000 1.046 226 T CA 0.288 62.392 62.100 0.006 0.000 1.139 226 T CB 0.108 68.978 68.868 0.003 0.000 0.871 226 T HN -0.061 nan 8.240 nan 0.000 0.454 227 V N 2.618 122.538 119.914 0.010 0.000 2.479 227 V HA 0.145 4.294 4.120 0.049 0.000 0.281 227 V C 1.152 177.257 176.094 0.017 0.000 1.031 227 V CA 0.319 62.629 62.300 0.016 0.000 1.038 227 V CB 0.809 32.640 31.823 0.014 0.000 0.981 227 V HN 0.320 nan 8.190 nan 0.000 0.478 228 R N 2.764 123.278 120.500 0.025 0.000 2.334 228 R HA 0.231 4.600 4.340 0.049 0.000 0.212 228 R C 0.480 176.789 176.300 0.014 0.000 0.897 228 R CA 0.017 56.128 56.100 0.020 0.000 1.056 228 R CB 0.540 30.855 30.300 0.025 0.000 1.046 228 R HN 0.655 nan 8.270 nan 0.000 0.513 229 K N 0.836 121.249 120.400 0.023 0.000 2.525 229 K HA 0.282 4.631 4.320 0.049 0.000 0.254 229 K C -1.936 174.682 176.600 0.030 0.000 0.934 229 K CA -0.763 55.529 56.287 0.007 0.000 0.802 229 K CB 1.714 34.204 32.500 -0.017 0.000 1.295 229 K HN -0.105 nan 8.250 nan 0.000 0.433 230 L N 2.135 123.370 121.223 0.019 0.000 2.334 230 L HA 0.657 5.027 4.340 0.049 0.000 0.276 230 L C -1.233 175.676 176.870 0.065 0.000 1.014 230 L CA 0.108 54.978 54.840 0.050 0.000 0.815 230 L CB 2.160 44.240 42.059 0.036 0.000 1.268 230 L HN 0.647 nan 8.230 nan 0.000 0.428 231 S N 4.120 119.891 115.700 0.119 0.000 2.561 231 S HA 0.716 5.215 4.470 0.049 0.000 0.303 231 S C -1.377 173.345 174.600 0.204 0.000 1.110 231 S CA -0.439 57.843 58.200 0.138 0.000 1.034 231 S CB 0.535 63.830 63.200 0.158 0.000 1.010 231 S HN 0.544 nan 8.310 nan 0.000 0.482 232 F N 3.228 123.193 119.950 0.024 0.000 2.565 232 F HA 0.706 5.262 4.527 0.048 0.000 0.313 232 F C -0.786 175.025 175.800 0.018 0.000 1.091 232 F CA -0.163 57.849 58.000 0.020 0.000 0.915 232 F CB 2.202 41.212 39.000 0.016 0.000 1.208 232 F HN 0.445 nan 8.300 nan 0.000 0.453 233 T N 4.191 118.204 114.554 -0.903 0.000 2.881 233 T HA 0.788 5.167 4.350 0.049 0.000 0.291 233 T C -0.258 173.666 174.700 -1.294 0.000 0.990 233 T CA -0.216 61.396 62.100 -0.813 0.000 0.976 233 T CB 1.178 69.838 68.868 -0.347 0.000 0.970 233 T HN 1.158 nan 8.240 nan 0.000 0.438 234 G N 1.855 110.046 108.800 -1.015 0.000 2.399 234 G HA2 0.436 4.426 3.960 0.049 0.000 0.256 234 G HA3 0.436 4.426 3.960 0.049 0.000 0.256 234 G C -0.529 174.324 174.900 -0.079 0.000 1.236 234 G CA -0.225 44.546 45.100 -0.548 0.000 0.914 234 G HN 0.976 nan 8.290 nan 0.000 0.482 235 S N -0.384 115.385 115.700 0.115 0.000 2.572 235 S HA 0.393 4.893 4.470 0.049 0.000 0.279 235 S C 1.406 176.136 174.600 0.217 0.000 1.341 235 S CA 1.172 59.429 58.200 0.095 0.000 1.043 235 S CB 1.202 64.448 63.200 0.076 0.000 0.887 235 S HN 0.907 nan 8.310 nan 0.000 0.516 236 T N 2.261 116.915 114.554 0.167 0.000 2.788 236 T HA -0.114 4.265 4.350 0.049 0.000 0.268 236 T C 1.820 176.607 174.700 0.145 0.000 1.044 236 T CA 1.607 63.834 62.100 0.211 0.000 1.139 236 T CB -0.421 68.643 68.868 0.327 0.000 0.867 236 T HN 0.842 nan 8.240 nan 0.000 0.454 237 E N 1.509 121.778 120.200 0.115 0.000 2.058 237 E HA -0.095 4.284 4.350 0.049 0.000 0.194 237 E C 2.381 178.994 176.600 0.022 0.000 0.997 237 E CA 0.921 57.359 56.400 0.064 0.000 0.801 237 E CB -1.117 28.617 29.700 0.056 0.000 0.746 237 E HN 0.393 nan 8.360 nan 0.000 0.450 238 V N 1.685 121.617 119.914 0.031 0.000 2.427 238 V HA -0.120 4.029 4.120 0.049 0.000 0.248 238 V C 2.550 178.473 176.094 -0.284 0.000 1.051 238 V CA 1.890 64.133 62.300 -0.096 0.000 1.048 238 V CB -1.143 30.663 31.823 -0.028 0.000 0.666 238 V HN 0.425 nan 8.190 nan 0.000 0.456 239 G N -0.156 108.550 108.800 -0.157 0.000 2.422 239 G HA2 -0.233 3.757 3.960 0.049 0.000 0.218 239 G HA3 -0.233 3.757 3.960 0.049 0.000 0.218 239 G C 1.755 176.599 174.900 -0.093 0.000 1.146 239 G CA 0.642 45.648 45.100 -0.158 0.000 0.769 239 G HN 0.424 nan 8.290 nan 0.000 0.547 240 R N -0.282 120.197 120.500 -0.035 0.000 2.091 240 R HA 0.040 4.410 4.340 0.049 0.000 0.238 240 R C 2.603 178.867 176.300 -0.060 0.000 1.136 240 R CA 1.059 57.141 56.100 -0.030 0.000 0.959 240 R CB -0.440 29.855 30.300 -0.008 0.000 0.856 240 R HN 0.331 nan 8.270 nan 0.000 0.437 241 L N 0.303 121.475 121.223 -0.085 0.000 2.056 241 L HA -0.178 4.192 4.340 0.049 0.000 0.207 241 L C 2.341 179.144 176.870 -0.112 0.000 1.078 241 L CA 1.149 55.937 54.840 -0.088 0.000 0.749 241 L CB -0.364 41.642 42.059 -0.088 0.000 0.901 241 L HN 0.200 nan 8.230 nan 0.000 0.433 242 L N -0.991 120.124 121.223 -0.180 0.000 2.093 242 L HA -0.226 4.143 4.340 0.049 0.000 0.208 242 L C 2.639 179.442 176.870 -0.113 0.000 1.085 242 L CA 1.199 55.926 54.840 -0.188 0.000 0.755 242 L CB -0.282 41.567 42.059 -0.350 0.000 0.904 242 L HN 0.337 nan 8.230 nan 0.000 0.435 243 M N -0.402 119.143 119.600 -0.091 0.000 2.117 243 M HA -0.204 4.306 4.480 0.049 0.000 0.262 243 M C 2.355 178.629 176.300 -0.043 0.000 1.065 243 M CA 1.969 57.239 55.300 -0.051 0.000 1.114 243 M CB -0.099 32.481 32.600 -0.033 0.000 1.361 243 M HN 0.239 nan 8.290 nan 0.000 0.408 244 A N 0.069 122.861 122.820 -0.046 0.000 1.908 244 A HA -0.248 4.102 4.320 0.049 0.000 0.218 244 A C 1.926 179.489 177.584 -0.036 0.000 1.181 244 A CA 1.985 54.000 52.037 -0.036 0.000 0.627 244 A CB -0.830 18.148 19.000 -0.035 0.000 0.818 244 A HN 0.734 nan 8.150 nan 0.000 0.445 245 Q N -1.426 118.347 119.800 -0.045 0.000 2.297 245 Q HA -0.100 4.270 4.340 0.049 0.000 0.204 245 Q C 1.984 177.964 176.000 -0.033 0.000 0.962 245 Q CA 1.215 56.994 55.803 -0.040 0.000 0.879 245 Q CB -0.295 28.413 28.738 -0.050 0.000 0.947 245 Q HN 0.764 nan 8.270 nan 0.000 0.462 246 C N -0.009 119.271 119.300 -0.034 0.000 2.481 246 C HA 0.093 4.582 4.460 0.049 0.000 0.275 246 C C 2.649 177.627 174.990 -0.019 0.000 1.419 246 C CA 0.276 59.280 59.018 -0.024 0.000 1.773 246 C CB -1.004 26.721 27.740 -0.024 0.000 1.862 246 C HN 0.573 nan 8.230 nan 0.000 0.530 247 A N 2.183 124.990 122.820 -0.021 0.000 1.883 247 A HA -0.124 4.225 4.320 0.049 0.000 0.217 247 A C 0.221 177.798 177.584 -0.013 0.000 1.186 247 A CA 1.797 53.824 52.037 -0.017 0.000 0.624 247 A CB -1.813 17.176 19.000 -0.018 0.000 0.822 247 A HN 0.432 nan 8.150 nan 0.000 0.444 248 P HA -0.109 nan 4.420 nan 0.000 0.218 248 P C 1.106 178.402 177.300 -0.008 0.000 1.146 248 P CA 1.989 65.083 63.100 -0.010 0.000 0.813 248 P CB -0.120 31.573 31.700 -0.011 0.000 0.778 249 T N -4.864 109.685 114.554 -0.008 0.000 3.182 249 T HA 0.213 4.592 4.350 0.049 0.000 0.277 249 T C 0.534 175.231 174.700 -0.005 0.000 1.013 249 T CA -0.503 61.593 62.100 -0.005 0.000 0.900 249 T CB -0.532 68.334 68.868 -0.004 0.000 1.098 249 T HN -0.139 nan 8.240 nan 0.000 0.543 250 I N 0.715 121.281 120.570 -0.007 0.000 6.679 250 I HA -0.217 3.982 4.170 0.049 0.000 0.126 250 I C 0.048 176.160 176.117 -0.008 0.000 1.811 250 I CA 0.625 61.921 61.300 -0.007 0.000 2.117 250 I CB -2.263 35.734 38.000 -0.005 0.000 3.492 250 I HN 0.559 nan 8.210 nan 0.000 0.193 251 K N 2.170 122.565 120.400 -0.009 0.000 2.326 251 K HA 0.268 4.617 4.320 0.049 0.000 0.275 251 K C 0.934 177.525 176.600 -0.015 0.000 1.018 251 K CA -0.781 55.500 56.287 -0.009 0.000 0.962 251 K CB 0.897 33.392 32.500 -0.008 0.000 0.953 251 K HN 0.139 nan 8.250 nan 0.000 0.475 252 R N 2.058 122.546 120.500 -0.020 0.000 2.640 252 R HA 0.113 4.483 4.340 0.049 0.000 0.270 252 R C 0.106 176.381 176.300 -0.042 0.000 1.024 252 R CA 0.337 56.414 56.100 -0.037 0.000 1.085 252 R CB -0.067 30.200 30.300 -0.056 0.000 0.963 252 R HN 0.652 nan 8.270 nan 0.000 0.426 253 I N 0.621 121.164 120.570 -0.044 0.000 2.644 253 I HA 0.178 4.378 4.170 0.049 0.000 0.291 253 I C -0.981 175.119 176.117 -0.029 0.000 1.180 253 I CA -0.216 61.068 61.300 -0.026 0.000 1.040 253 I CB 2.138 40.132 38.000 -0.009 0.000 1.255 253 I HN 0.441 nan 8.210 nan 0.000 0.422 254 S N 7.363 123.054 115.700 -0.014 0.000 2.503 254 S HA 0.769 5.269 4.470 0.049 0.000 0.301 254 S C -0.943 173.704 174.600 0.078 0.000 1.087 254 S CA -0.586 57.618 58.200 0.007 0.000 1.042 254 S CB 1.744 64.927 63.200 -0.027 0.000 1.043 254 S HN 0.428 nan 8.310 nan 0.000 0.489 255 L N 2.581 123.857 121.223 0.088 0.000 2.464 255 L HA 0.540 4.909 4.340 0.049 0.000 0.266 255 L C -0.783 176.147 176.870 0.100 0.000 0.965 255 L CA -0.546 54.382 54.840 0.146 0.000 0.833 255 L CB 2.036 44.191 42.059 0.159 0.000 1.296 255 L HN 0.510 nan 8.230 nan 0.000 0.405 256 E N 5.085 125.326 120.200 0.067 0.000 2.220 256 E HA 0.587 4.967 4.350 0.049 0.000 0.256 256 E C -0.873 175.734 176.600 0.011 0.000 0.881 256 E CA -0.361 56.061 56.400 0.037 0.000 0.766 256 E CB 2.816 32.525 29.700 0.015 0.000 1.187 256 E HN 0.464 nan 8.360 nan 0.000 0.419 257 L N 0.294 121.557 121.223 0.066 0.000 2.778 257 L HA 0.610 4.979 4.340 0.049 0.000 0.246 257 L C 1.052 177.942 176.870 0.034 0.000 1.820 257 L CA -1.204 53.687 54.840 0.086 0.000 1.986 257 L CB 0.156 42.325 42.059 0.183 0.000 2.298 257 L HN 0.473 nan 8.230 nan 0.000 0.580 258 G N -1.130 107.675 108.800 0.009 0.000 2.606 258 G HA2 0.485 4.474 3.960 0.049 0.000 0.252 258 G HA3 0.485 4.474 3.960 0.049 0.000 0.252 258 G C -0.435 174.257 174.900 -0.347 0.000 1.206 258 G CA 0.333 45.273 45.100 -0.267 0.000 0.861 258 G HN 0.703 nan 8.290 nan 0.000 0.561 259 G N -0.977 107.575 108.800 -0.413 0.000 2.818 259 G HA2 0.465 4.454 3.960 0.049 0.000 0.286 259 G HA3 0.465 4.454 3.960 0.049 0.000 0.286 259 G C -0.968 173.799 174.900 -0.220 0.000 1.364 259 G CA -0.618 44.377 45.100 -0.173 0.000 0.938 259 G HN 0.730 nan 8.290 nan 0.000 0.490 260 N N -0.766 118.008 118.700 0.122 0.000 2.700 260 N HA 0.382 5.151 4.740 0.049 0.000 0.242 260 N C -0.212 175.438 175.510 0.233 0.000 1.541 260 N CA -0.206 52.948 53.050 0.173 0.000 0.764 260 N CB 0.743 39.407 38.487 0.294 0.000 1.319 260 N HN 0.732 nan 8.380 nan 0.000 0.518 261 A N 2.558 125.489 122.820 0.185 0.000 2.491 261 A HA 0.415 4.765 4.320 0.049 0.000 0.261 261 A C -2.222 175.455 177.584 0.154 0.000 1.101 261 A CA -0.639 51.488 52.037 0.149 0.000 0.772 261 A CB -0.141 19.009 19.000 0.250 0.000 1.043 261 A HN 0.417 nan 8.150 nan 0.000 0.501 262 P HA 0.373 nan 4.420 nan 0.000 0.288 262 P C -1.098 176.357 177.300 0.259 0.000 1.267 262 P CA -0.149 63.044 63.100 0.154 0.000 0.815 262 P CB 0.879 32.584 31.700 0.009 0.000 0.989 263 F N 4.202 124.261 119.950 0.183 0.000 2.445 263 F HA 0.528 5.085 4.527 0.050 0.000 0.348 263 F C -0.841 175.055 175.800 0.160 0.000 1.125 263 F CA -0.922 57.207 58.000 0.214 0.000 0.983 263 F CB 0.794 39.865 39.000 0.118 0.000 1.198 263 F HN 0.106 nan 8.300 nan 0.000 0.436 264 I N 7.244 127.861 120.570 0.078 0.000 2.362 264 I HA 0.386 4.586 4.170 0.049 0.000 0.289 264 I C -1.066 175.083 176.117 0.054 0.000 0.994 264 I CA -1.080 60.241 61.300 0.035 0.000 1.158 264 I CB 1.809 39.704 38.000 -0.175 0.000 1.315 264 I HN 0.227 nan 8.210 nan 0.000 0.451 265 V N 6.884 126.838 119.914 0.066 0.000 2.334 265 V HA 0.383 4.532 4.120 0.049 0.000 0.281 265 V C -0.162 175.985 176.094 0.088 0.000 1.016 265 V CA -0.510 61.842 62.300 0.086 0.000 0.832 265 V CB 0.904 32.643 31.823 -0.140 0.000 0.999 265 V HN 0.388 nan 8.190 nan 0.000 0.439 266 F N 1.806 121.934 119.950 0.296 0.000 2.370 266 F HA 0.333 4.889 4.527 0.049 0.000 0.319 266 F C 1.602 177.487 175.800 0.143 0.000 1.129 266 F CA -0.323 57.830 58.000 0.255 0.000 1.109 266 F CB 0.637 39.797 39.000 0.265 0.000 1.262 266 F HN 0.440 nan 8.300 nan 0.000 0.534 267 D N 0.224 120.802 120.400 0.298 0.000 2.182 267 D HA -0.159 4.511 4.640 0.049 0.000 0.201 267 D C 1.177 177.590 176.300 0.187 0.000 0.986 267 D CA 1.470 55.577 54.000 0.179 0.000 0.847 267 D CB -0.394 40.484 40.800 0.131 0.000 0.942 267 D HN 0.508 nan 8.370 nan 0.000 0.467 268 D N -0.355 120.179 120.400 0.223 0.000 2.434 268 D HA 0.209 4.878 4.640 0.049 0.000 0.232 268 D C 0.185 176.611 176.300 0.210 0.000 1.166 268 D CA -0.333 53.774 54.000 0.178 0.000 0.830 268 D CB -0.517 40.363 40.800 0.133 0.000 0.960 268 D HN 0.005 nan 8.370 nan 0.000 0.497 269 A N 0.328 123.303 122.820 0.260 0.000 2.332 269 A HA 0.264 4.613 4.320 0.049 0.000 0.258 269 A C 0.220 177.934 177.584 0.216 0.000 1.087 269 A CA -0.537 51.671 52.037 0.284 0.000 0.802 269 A CB 0.356 19.558 19.000 0.335 0.000 1.042 269 A HN 0.170 nan 8.150 nan 0.000 0.489 270 D N 1.444 121.978 120.400 0.223 0.000 2.342 270 D HA 0.092 4.762 4.640 0.049 0.000 0.260 270 D C 0.712 177.118 176.300 0.175 0.000 1.278 270 D CA -0.229 53.877 54.000 0.177 0.000 0.910 270 D CB 0.575 41.474 40.800 0.164 0.000 1.079 270 D HN 0.296 nan 8.370 nan 0.000 0.496 271 L N 4.336 125.643 121.223 0.140 0.000 2.109 271 L HA -0.052 4.318 4.340 0.049 0.000 0.207 271 L C 1.564 178.490 176.870 0.092 0.000 1.086 271 L CA 1.467 56.394 54.840 0.145 0.000 0.760 271 L CB -0.237 41.905 42.059 0.139 0.000 0.910 271 L HN 0.366 nan 8.230 nan 0.000 0.437 272 D N -0.412 120.023 120.400 0.058 0.000 2.144 272 D HA -0.122 4.548 4.640 0.049 0.000 0.200 272 D C 2.170 178.483 176.300 0.021 0.000 0.978 272 D CA 1.388 55.398 54.000 0.016 0.000 0.833 272 D CB -0.009 40.800 40.800 0.015 0.000 0.961 272 D HN 0.421 nan 8.370 nan 0.000 0.470 273 A N 1.018 123.882 122.820 0.073 0.000 1.933 273 A HA -0.028 4.321 4.320 0.049 0.000 0.218 273 A C 2.300 179.881 177.584 -0.005 0.000 1.175 273 A CA 2.003 54.116 52.037 0.126 0.000 0.628 273 A CB -0.544 18.605 19.000 0.248 0.000 0.814 273 A HN 0.231 nan 8.150 nan 0.000 0.444 274 A N -0.622 122.058 122.820 -0.235 0.000 1.930 274 A HA 0.053 4.403 4.320 0.049 0.000 0.217 274 A C 2.199 179.739 177.584 -0.074 0.000 1.175 274 A CA 1.618 53.236 52.037 -0.697 0.000 0.627 274 A CB -0.778 17.985 19.000 -0.395 0.000 0.815 274 A HN 0.345 nan 8.150 nan 0.000 0.443 275 V N 0.689 120.594 119.914 -0.014 0.000 2.295 275 V HA -0.239 3.911 4.120 0.049 0.000 0.246 275 V C 2.160 178.188 176.094 -0.111 0.000 1.049 275 V CA 2.277 64.481 62.300 -0.161 0.000 1.024 275 V CB -0.768 30.878 31.823 -0.296 0.000 0.648 275 V HN 0.502 nan 8.190 nan 0.000 0.447 276 D N 0.699 121.067 120.400 -0.054 0.000 2.123 276 D HA -0.133 4.536 4.640 0.049 0.000 0.196 276 D C 2.194 178.512 176.300 0.030 0.000 0.992 276 D CA 1.718 55.712 54.000 -0.010 0.000 0.833 276 D CB -0.596 40.221 40.800 0.028 0.000 0.954 276 D HN 0.487 nan 8.370 nan 0.000 0.455 277 G N 0.683 109.541 108.800 0.095 0.000 2.408 277 G HA2 -0.141 3.849 3.960 0.049 0.000 0.217 277 G HA3 -0.141 3.849 3.960 0.049 0.000 0.217 277 G C 1.715 176.648 174.900 0.055 0.000 1.150 277 G CA 1.096 46.347 45.100 0.252 0.000 0.776 277 G HN 0.395 nan 8.290 nan 0.000 0.542 278 A N 0.524 123.209 122.820 -0.224 0.000 1.898 278 A HA 0.063 4.413 4.320 0.049 0.000 0.216 278 A C 2.425 179.838 177.584 -0.285 0.000 1.181 278 A CA 1.778 53.411 52.037 -0.672 0.000 0.620 278 A CB -0.306 18.409 19.000 -0.475 0.000 0.819 278 A HN 0.284 nan 8.150 nan 0.000 0.442 279 M N -0.368 119.178 119.600 -0.092 0.000 2.117 279 M HA -0.090 4.419 4.480 0.049 0.000 0.262 279 M C 2.211 178.556 176.300 0.074 0.000 1.065 279 M CA 1.308 56.652 55.300 0.073 0.000 1.114 279 M CB -1.273 31.333 32.600 0.011 0.000 1.361 279 M HN 0.248 nan 8.290 nan 0.000 0.408 280 V N 0.365 120.284 119.914 0.008 0.000 2.358 280 V HA -0.194 3.956 4.120 0.049 0.000 0.246 280 V C 2.409 178.481 176.094 -0.038 0.000 1.047 280 V CA 1.958 64.265 62.300 0.012 0.000 1.035 280 V CB -1.047 30.794 31.823 0.030 0.000 0.658 280 V HN 0.563 nan 8.190 nan 0.000 0.452 281 S N -0.187 115.435 115.700 -0.130 0.000 2.496 281 S HA -0.077 4.422 4.470 0.049 0.000 0.224 281 S C 1.766 176.225 174.600 -0.236 0.000 0.996 281 S CA 0.948 59.022 58.200 -0.210 0.000 0.927 281 S CB -0.036 62.886 63.200 -0.463 0.000 0.774 281 S HN 0.493 nan 8.310 nan 0.000 0.524 282 K N 0.839 121.059 120.400 -0.300 0.000 2.141 282 K HA 0.245 4.594 4.320 0.049 0.000 0.202 282 K C 0.952 177.272 176.600 -0.466 0.000 1.045 282 K CA 0.867 56.870 56.287 -0.473 0.000 0.971 282 K CB -0.347 31.712 32.500 -0.735 0.000 0.795 282 K HN 0.425 nan 8.250 nan 0.000 0.459 283 Y N 0.461 120.713 120.300 -0.079 0.000 2.449 283 Y HA 0.324 4.903 4.550 0.049 0.000 0.254 283 Y C 0.330 176.209 175.900 -0.034 0.000 1.140 283 Y CA -0.380 57.691 58.100 -0.049 0.000 1.272 283 Y CB 0.203 38.636 38.460 -0.046 0.000 1.114 283 Y HN -0.102 nan 8.280 nan 0.000 0.525 284 R N 1.947 122.490 120.500 0.071 0.000 2.585 284 R HA -0.082 4.288 4.340 0.049 0.000 0.275 284 R C 0.477 176.789 176.300 0.020 0.000 1.018 284 R CA 0.488 56.619 56.100 0.051 0.000 1.072 284 R CB -0.023 30.309 30.300 0.054 0.000 0.953 284 R HN 0.267 nan 8.270 nan 0.000 0.419 285 N N 2.606 121.310 118.700 0.007 0.000 2.725 285 N HA -0.278 4.491 4.740 0.049 0.000 0.249 285 N C -0.311 175.190 175.510 -0.016 0.000 1.103 285 N CA 1.357 54.382 53.050 -0.042 0.000 0.707 285 N CB -1.144 37.270 38.487 -0.122 0.000 1.043 285 N HN 0.931 nan 8.380 nan 0.000 0.553 286 A N -1.876 120.964 122.820 0.034 0.000 2.798 286 A HA 0.034 4.383 4.320 0.049 0.000 0.282 286 A C 2.079 179.668 177.584 0.008 0.000 1.464 286 A CA 1.930 54.010 52.037 0.071 0.000 0.844 286 A CB -1.875 17.167 19.000 0.070 0.000 1.006 286 A HN 2.164 nan 8.150 nan 0.000 0.577 287 G N -2.492 106.266 108.800 -0.070 0.000 2.143 287 G HA2 -0.273 3.716 3.960 0.049 0.000 0.249 287 G HA3 -0.273 3.716 3.960 0.049 0.000 0.249 287 G C 0.099 174.784 174.900 -0.358 0.000 0.981 287 G CA 0.807 45.794 45.100 -0.187 0.000 0.665 287 G HN 1.422 nan 8.290 nan 0.000 0.528 288 Q N 1.012 120.594 119.800 -0.362 0.000 2.735 288 Q HA 0.384 4.754 4.340 0.049 0.000 0.380 288 Q C 0.563 176.132 176.000 -0.720 0.000 1.060 288 Q CA 0.542 55.907 55.803 -0.730 0.000 1.025 288 Q CB 0.474 29.222 28.738 0.016 0.000 1.350 288 Q HN 0.596 nan 8.270 nan 0.000 0.424 289 T N -4.268 109.926 114.554 -0.601 0.000 2.887 289 T HA 0.216 4.595 4.350 0.049 0.000 0.288 289 T C 0.517 175.139 174.700 -0.131 0.000 1.021 289 T CA -0.757 61.274 62.100 -0.114 0.000 1.000 289 T CB 1.668 70.636 68.868 0.165 0.000 1.034 289 T HN 0.278 nan 8.240 nan 0.000 0.467 290 C N 2.361 121.722 119.300 0.101 0.000 2.539 290 C HA 0.149 4.638 4.460 0.049 0.000 0.268 290 C C 2.227 177.291 174.990 0.124 0.000 1.395 290 C CA 0.591 59.714 59.018 0.175 0.000 1.757 290 C CB -1.622 26.230 27.740 0.187 0.000 1.851 290 C HN 0.803 nan 8.230 nan 0.000 0.545 291 V N -1.982 118.007 119.914 0.125 0.000 3.577 291 V HA 0.260 4.409 4.120 0.049 0.000 0.294 291 V C 0.815 177.045 176.094 0.227 0.000 1.317 291 V CA -0.421 61.984 62.300 0.176 0.000 1.169 291 V CB -2.080 29.864 31.823 0.202 0.000 1.011 291 V HN 0.478 nan 8.190 nan 0.000 0.426 292 C N 2.827 122.181 119.300 0.090 0.000 2.642 292 C HA 0.589 5.079 4.460 0.049 0.000 0.420 292 C C 1.511 176.543 174.990 0.071 0.000 1.349 292 C CA 0.037 59.064 59.018 0.015 0.000 1.821 292 C CB -0.288 27.374 27.740 -0.129 0.000 2.637 292 C HN 0.814 nan 8.230 nan 0.000 0.605 293 A N 3.640 126.464 122.820 0.007 0.000 2.566 293 A HA 0.028 4.377 4.320 0.049 0.000 0.245 293 A C 1.010 178.608 177.584 0.024 0.000 1.056 293 A CA 0.373 52.445 52.037 0.058 0.000 0.757 293 A CB -0.075 18.856 19.000 -0.114 0.000 0.979 293 A HN 0.985 nan 8.150 nan 0.000 0.508 294 N N 1.173 119.931 118.700 0.097 0.000 2.463 294 N HA 0.067 4.836 4.740 0.049 0.000 0.183 294 N C 0.069 175.653 175.510 0.123 0.000 1.064 294 N CA 0.629 53.740 53.050 0.102 0.000 0.879 294 N CB 0.347 38.917 38.487 0.138 0.000 1.148 294 N HN 0.697 nan 8.380 nan 0.000 0.451 295 R N 0.343 120.896 120.500 0.089 0.000 2.483 295 R HA 0.430 4.800 4.340 0.049 0.000 0.303 295 R C -1.139 175.106 176.300 -0.090 0.000 0.987 295 R CA -0.468 55.606 56.100 -0.042 0.000 0.881 295 R CB 1.969 32.044 30.300 -0.375 0.000 1.177 295 R HN 0.070 nan 8.270 nan 0.000 0.451 296 I N 3.921 124.485 120.570 -0.010 0.000 2.330 296 I HA 0.256 4.456 4.170 0.049 0.000 0.286 296 I C -0.725 175.379 176.117 -0.021 0.000 1.025 296 I CA -0.640 60.682 61.300 0.036 0.000 1.197 296 I CB 0.570 38.578 38.000 0.015 0.000 1.358 296 I HN 0.428 nan 8.210 nan 0.000 0.467 297 Y N 5.560 125.930 120.300 0.116 0.000 2.341 297 Y HA 0.530 5.109 4.550 0.049 0.000 0.340 297 Y C 0.049 176.096 175.900 0.245 0.000 0.997 297 Y CA -0.714 57.497 58.100 0.184 0.000 1.149 297 Y CB 1.323 39.732 38.460 -0.085 0.000 1.171 297 Y HN 0.185 nan 8.280 nan 0.000 0.494 298 V N 3.834 123.988 119.914 0.400 0.000 2.588 298 V HA 0.256 4.405 4.120 0.049 0.000 0.304 298 V C -0.336 175.645 176.094 -0.189 0.000 1.042 298 V CA -1.310 61.023 62.300 0.054 0.000 0.877 298 V CB 1.728 33.379 31.823 -0.287 0.000 0.996 298 V HN 0.694 nan 8.190 nan 0.000 0.425 299 Q N 2.025 121.449 119.800 -0.626 0.000 2.364 299 Q HA 0.153 4.523 4.340 0.049 0.000 0.267 299 Q C 1.292 177.085 176.000 -0.345 0.000 0.999 299 Q CA -0.089 55.096 55.803 -1.030 0.000 0.886 299 Q CB 0.867 29.182 28.738 -0.705 0.000 1.243 299 Q HN 0.624 nan 8.270 nan 0.000 0.415 300 R N 2.924 123.243 120.500 -0.300 0.000 2.103 300 R HA -0.169 4.200 4.340 0.049 0.000 0.242 300 R C 1.832 178.128 176.300 -0.008 0.000 1.142 300 R CA 2.263 58.305 56.100 -0.097 0.000 0.960 300 R CB -0.877 29.362 30.300 -0.102 0.000 0.858 300 R HN 0.900 nan 8.270 nan 0.000 0.439 301 G N -0.830 107.955 108.800 -0.025 0.000 2.485 301 G HA2 -0.218 3.771 3.960 0.049 0.000 0.221 301 G HA3 -0.218 3.771 3.960 0.049 0.000 0.221 301 G C 1.029 175.964 174.900 0.059 0.000 1.115 301 G CA 1.280 46.394 45.100 0.022 0.000 0.751 301 G HN 0.420 nan 8.290 nan 0.000 0.567 302 V N -3.708 116.247 119.914 0.068 0.000 3.380 302 V HA 0.394 4.543 4.120 0.049 0.000 0.307 302 V C 1.714 177.901 176.094 0.155 0.000 1.434 302 V CA -0.253 62.112 62.300 0.108 0.000 1.075 302 V CB -0.737 31.151 31.823 0.108 0.000 0.954 302 V HN 0.229 nan 8.190 nan 0.000 0.444 303 Y N 2.518 122.837 120.300 0.030 0.000 2.053 303 Y HA -0.235 4.344 4.550 0.049 0.000 0.277 303 Y C 2.261 178.234 175.900 0.123 0.000 1.159 303 Y CA 2.661 60.797 58.100 0.062 0.000 1.125 303 Y CB -0.029 38.438 38.460 0.012 0.000 0.969 303 Y HN 0.313 nan 8.280 nan 0.000 0.492 304 D N -0.038 120.546 120.400 0.306 0.000 2.084 304 D HA -0.178 4.491 4.640 0.049 0.000 0.194 304 D C 2.067 178.427 176.300 0.100 0.000 0.990 304 D CA 1.550 55.672 54.000 0.203 0.000 0.826 304 D CB -0.415 40.478 40.800 0.156 0.000 0.971 304 D HN 0.158 nan 8.370 nan 0.000 0.453 305 K N 0.288 120.747 120.400 0.098 0.000 2.063 305 K HA -0.133 4.216 4.320 0.049 0.000 0.208 305 K C 1.962 178.584 176.600 0.038 0.000 1.048 305 K CA 0.734 57.058 56.287 0.061 0.000 0.928 305 K CB -0.751 31.793 32.500 0.073 0.000 0.713 305 K HN 0.113 nan 8.250 nan 0.000 0.442 306 F N 0.434 120.346 119.950 -0.062 0.000 2.102 306 F HA -0.138 4.419 4.527 0.049 0.000 0.298 306 F C 1.909 177.630 175.800 -0.132 0.000 1.105 306 F CA 1.770 59.712 58.000 -0.097 0.000 1.239 306 F CB -0.665 38.262 39.000 -0.123 0.000 0.991 306 F HN 0.080 nan 8.300 nan 0.000 0.474 307 A N -0.085 122.705 122.820 -0.049 0.000 1.908 307 A HA -0.275 4.075 4.320 0.049 0.000 0.218 307 A C 2.200 179.693 177.584 -0.151 0.000 1.181 307 A CA 1.939 53.903 52.037 -0.122 0.000 0.627 307 A CB -1.087 17.860 19.000 -0.087 0.000 0.818 307 A HN 0.632 nan 8.150 nan 0.000 0.445 308 E N -0.065 120.072 120.200 -0.105 0.000 2.072 308 E HA -0.209 4.171 4.350 0.049 0.000 0.191 308 E C 1.920 178.435 176.600 -0.143 0.000 0.985 308 E CA 1.438 57.783 56.400 -0.091 0.000 0.801 308 E CB -0.127 29.545 29.700 -0.048 0.000 0.750 308 E HN 0.626 nan 8.360 nan 0.000 0.452 309 K N 0.169 120.449 120.400 -0.199 0.000 2.057 309 K HA -0.136 4.213 4.320 0.049 0.000 0.206 309 K C 2.248 178.672 176.600 -0.294 0.000 1.050 309 K CA 1.139 57.288 56.287 -0.231 0.000 0.935 309 K CB -0.192 32.161 32.500 -0.246 0.000 0.715 309 K HN 0.123 nan 8.250 nan 0.000 0.439 310 L N 1.093 122.053 121.223 -0.437 0.000 2.017 310 L HA -0.134 4.235 4.340 0.049 0.000 0.208 310 L C 2.233 178.965 176.870 -0.231 0.000 1.073 310 L CA 1.724 56.326 54.840 -0.398 0.000 0.745 310 L CB -0.579 41.174 42.059 -0.511 0.000 0.894 310 L HN 0.145 nan 8.230 nan 0.000 0.432 311 A N -0.536 122.172 122.820 -0.186 0.000 1.908 311 A HA -0.172 4.178 4.320 0.049 0.000 0.218 311 A C 2.438 179.944 177.584 -0.130 0.000 1.181 311 A CA 1.898 53.858 52.037 -0.128 0.000 0.627 311 A CB -1.167 17.778 19.000 -0.092 0.000 0.818 311 A HN 0.572 nan 8.150 nan 0.000 0.445 312 A N -0.531 122.209 122.820 -0.132 0.000 1.930 312 A HA -0.120 4.230 4.320 0.049 0.000 0.217 312 A C 2.108 179.615 177.584 -0.128 0.000 1.175 312 A CA 1.703 53.671 52.037 -0.115 0.000 0.627 312 A CB -0.305 18.634 19.000 -0.101 0.000 0.815 312 A HN 0.364 nan 8.150 nan 0.000 0.443 313 K N -0.206 120.102 120.400 -0.154 0.000 2.057 313 K HA -0.043 4.307 4.320 0.049 0.000 0.206 313 K C 2.008 178.488 176.600 -0.200 0.000 1.050 313 K CA 1.306 57.497 56.287 -0.161 0.000 0.935 313 K CB -0.920 31.479 32.500 -0.168 0.000 0.715 313 K HN 0.343 nan 8.250 nan 0.000 0.439 314 V N 1.949 121.719 119.914 -0.240 0.000 2.343 314 V HA -0.228 3.921 4.120 0.049 0.000 0.247 314 V C 2.526 178.480 176.094 -0.233 0.000 1.051 314 V CA 1.652 63.755 62.300 -0.327 0.000 1.036 314 V CB -0.427 31.203 31.823 -0.322 0.000 0.654 314 V HN 0.366 nan 8.190 nan 0.000 0.451 315 K N 0.044 120.345 120.400 -0.165 0.000 2.152 315 K HA -0.226 4.123 4.320 0.049 0.000 0.206 315 K C 1.879 178.407 176.600 -0.119 0.000 1.048 315 K CA 1.752 57.963 56.287 -0.127 0.000 0.933 315 K CB -0.075 32.365 32.500 -0.101 0.000 0.721 315 K HN 0.584 nan 8.250 nan 0.000 0.447 316 E N 0.292 120.418 120.200 -0.124 0.000 2.502 316 E HA 0.020 4.400 4.350 0.049 0.000 0.194 316 E C -0.251 176.283 176.600 -0.111 0.000 1.062 316 E CA -0.174 56.163 56.400 -0.105 0.000 0.867 316 E CB 0.170 29.814 29.700 -0.095 0.000 0.888 316 E HN 0.241 nan 8.360 nan 0.000 0.510 317 L N 2.247 123.383 121.223 -0.144 0.000 2.477 317 L HA 0.066 4.436 4.340 0.049 0.000 0.272 317 L C 0.352 177.163 176.870 -0.098 0.000 1.157 317 L CA 0.113 54.870 54.840 -0.138 0.000 0.889 317 L CB 0.289 42.226 42.059 -0.204 0.000 1.158 317 L HN -0.074 nan 8.230 nan 0.000 0.473 318 K N 3.367 123.724 120.400 -0.071 0.000 2.227 318 K HA 0.456 4.805 4.320 0.049 0.000 0.280 318 K C -1.033 175.544 176.600 -0.039 0.000 1.041 318 K CA -0.581 55.670 56.287 -0.060 0.000 0.905 318 K CB 1.171 33.640 32.500 -0.053 0.000 1.068 318 K HN 0.332 nan 8.250 nan 0.000 0.470 319 V N 3.442 123.326 119.914 -0.050 0.000 2.472 319 V HA 0.793 4.942 4.120 0.049 0.000 0.290 319 V C 0.562 176.587 176.094 -0.115 0.000 1.037 319 V CA -0.152 62.135 62.300 -0.021 0.000 0.908 319 V CB 1.078 32.892 31.823 -0.015 0.000 0.985 319 V HN 1.060 nan 8.190 nan 0.000 0.454 320 G N 2.937 111.710 108.800 -0.046 0.000 2.320 320 G HA2 0.145 4.134 3.960 0.049 0.000 0.296 320 G HA3 0.145 4.134 3.960 0.049 0.000 0.296 320 G C -1.195 173.793 174.900 0.148 0.000 1.306 320 G CA -0.870 44.131 45.100 -0.165 0.000 0.836 320 G HN 0.588 nan 8.290 nan 0.000 0.517 321 N N 0.445 119.214 118.700 0.115 0.000 2.411 321 N HA 0.133 4.903 4.740 0.049 0.000 0.261 321 N C 1.665 177.243 175.510 0.113 0.000 1.248 321 N CA 0.954 54.116 53.050 0.186 0.000 0.885 321 N CB 1.278 39.828 38.487 0.105 0.000 1.062 321 N HN 0.864 nan 8.380 nan 0.000 0.471 322 G N 1.929 110.796 108.800 0.111 0.000 2.498 322 G HA2 -0.232 3.757 3.960 0.049 0.000 0.219 322 G HA3 -0.232 3.757 3.960 0.049 0.000 0.219 322 G C 1.301 176.226 174.900 0.042 0.000 1.119 322 G CA 1.327 46.467 45.100 0.068 0.000 0.766 322 G HN 0.739 nan 8.290 nan 0.000 0.552 323 T N -1.796 112.782 114.554 0.039 0.000 3.100 323 T HA 0.187 4.566 4.350 0.049 0.000 0.253 323 T C 0.605 175.316 174.700 0.017 0.000 1.118 323 T CA -0.093 62.021 62.100 0.025 0.000 1.058 323 T CB 0.285 69.166 68.868 0.021 0.000 0.953 323 T HN 0.054 nan 8.240 nan 0.000 0.515 324 E N 3.266 123.476 120.200 0.017 0.000 2.338 324 E HA 0.313 4.692 4.350 0.049 0.000 0.272 324 E C -2.474 174.126 176.600 0.000 0.000 1.029 324 E CA -2.831 53.571 56.400 0.003 0.000 0.872 324 E CB 0.646 30.341 29.700 -0.007 0.000 1.015 324 E HN 0.270 nan 8.360 nan 0.000 0.417 325 P HA 0.079 nan 4.420 nan 0.000 0.268 325 P C 0.819 178.113 177.300 -0.011 0.000 1.205 325 P CA 0.459 63.555 63.100 -0.006 0.000 0.771 325 P CB 0.608 32.303 31.700 -0.008 0.000 0.858 326 G N 1.271 110.065 108.800 -0.010 0.000 2.267 326 G HA2 -0.254 3.736 3.960 0.049 0.000 0.257 326 G HA3 -0.254 3.736 3.960 0.049 0.000 0.257 326 G C 0.138 175.030 174.900 -0.014 0.000 0.998 326 G CA 0.018 45.109 45.100 -0.015 0.000 0.620 326 G HN 0.560 nan 8.290 nan 0.000 0.529 327 V N 2.083 121.993 119.914 -0.007 0.000 2.485 327 V HA 0.296 4.446 4.120 0.049 0.000 0.287 327 V C 1.777 177.879 176.094 0.012 0.000 1.022 327 V CA 0.873 63.174 62.300 0.003 0.000 1.067 327 V CB 1.365 33.199 31.823 0.019 0.000 0.967 327 V HN 1.055 nan 8.190 nan 0.000 0.479 328 V N 3.812 123.731 119.914 0.009 0.000 3.605 328 V HA 0.455 4.604 4.120 0.049 0.000 0.284 328 V C 0.408 176.522 176.094 0.034 0.000 1.386 328 V CA 0.217 62.525 62.300 0.014 0.000 1.053 328 V CB 0.493 32.312 31.823 -0.006 0.000 0.857 328 V HN 0.535 nan 8.190 nan 0.000 0.436 329 I N 2.067 122.668 120.570 0.051 0.000 2.447 329 I HA 0.726 4.925 4.170 0.049 0.000 0.287 329 I C 0.751 176.960 176.117 0.152 0.000 1.023 329 I CA -0.052 61.303 61.300 0.092 0.000 1.083 329 I CB 1.014 39.069 38.000 0.093 0.000 1.245 329 I HN 0.202 nan 8.210 nan 0.000 0.434 330 G N 7.598 116.482 108.800 0.139 0.000 2.525 330 G HA2 0.619 4.608 3.960 0.049 0.000 0.287 330 G HA3 0.619 4.608 3.960 0.049 0.000 0.287 330 G C -2.674 172.283 174.900 0.094 0.000 1.350 330 G CA -0.899 44.302 45.100 0.169 0.000 1.039 330 G HN 0.370 nan 8.290 nan 0.000 0.513 331 P HA 0.199 nan 4.420 nan 0.000 0.276 331 P C -0.050 177.066 177.300 -0.305 0.000 1.244 331 P CA -0.259 62.414 63.100 -0.712 0.000 0.801 331 P CB 1.007 31.937 31.700 -1.283 0.000 1.006 332 M N 1.519 120.980 119.600 -0.233 0.000 2.226 332 M HA 0.037 4.546 4.480 0.049 0.000 0.324 332 M C 1.604 177.756 176.300 -0.247 0.000 1.112 332 M CA -0.293 54.907 55.300 -0.167 0.000 1.176 332 M CB 0.121 32.651 32.600 -0.117 0.000 1.430 332 M HN 0.252 nan 8.290 nan 0.000 0.462 333 I N 0.636 121.025 120.570 -0.301 0.000 2.546 333 I HA -0.105 4.095 4.170 0.049 0.000 0.255 333 I C 0.644 176.527 176.117 -0.390 0.000 1.163 333 I CA 1.393 62.424 61.300 -0.448 0.000 1.457 333 I CB -0.133 37.283 38.000 -0.973 0.000 1.092 333 I HN 0.751 nan 8.210 nan 0.000 0.434 334 E N -1.927 118.087 120.200 -0.310 0.000 2.392 334 E HA 0.097 4.477 4.350 0.049 0.000 0.281 334 E C -0.062 176.440 176.600 -0.163 0.000 1.088 334 E CA -0.609 55.653 56.400 -0.229 0.000 0.850 334 E CB 0.283 29.833 29.700 -0.251 0.000 1.267 334 E HN -0.190 nan 8.360 nan 0.000 0.438 335 E N 1.166 121.296 120.200 -0.117 0.000 2.153 335 E HA -0.191 4.188 4.350 0.049 0.000 0.194 335 E C 1.687 178.238 176.600 -0.082 0.000 0.988 335 E CA 1.887 58.237 56.400 -0.083 0.000 0.811 335 E CB -0.028 29.642 29.700 -0.050 0.000 0.746 335 E HN 0.607 nan 8.360 nan 0.000 0.466 336 K N 0.170 120.522 120.400 -0.081 0.000 2.209 336 K HA -0.013 4.336 4.320 0.049 0.000 0.204 336 K C 2.047 178.597 176.600 -0.084 0.000 1.048 336 K CA 1.292 57.539 56.287 -0.067 0.000 0.940 336 K CB -0.123 32.348 32.500 -0.050 0.000 0.729 336 K HN -0.012 nan 8.250 nan 0.000 0.451 337 A N 1.967 124.726 122.820 -0.101 0.000 1.898 337 A HA -0.038 4.311 4.320 0.049 0.000 0.216 337 A C 2.157 179.631 177.584 -0.183 0.000 1.181 337 A CA 1.208 53.187 52.037 -0.097 0.000 0.620 337 A CB -0.522 18.437 19.000 -0.069 0.000 0.819 337 A HN 0.322 nan 8.150 nan 0.000 0.442 338 I N -0.330 120.113 120.570 -0.211 0.000 2.163 338 I HA -0.250 3.949 4.170 0.049 0.000 0.243 338 I C 2.596 178.555 176.117 -0.262 0.000 1.085 338 I CA 1.824 62.927 61.300 -0.328 0.000 1.347 338 I CB -0.785 37.108 38.000 -0.179 0.000 1.044 338 I HN 0.256 nan 8.210 nan 0.000 0.408 339 T N 0.519 114.993 114.554 -0.134 0.000 2.699 339 T HA -0.267 4.112 4.350 0.049 0.000 0.268 339 T C 1.938 176.585 174.700 -0.088 0.000 1.036 339 T CA 1.591 63.645 62.100 -0.076 0.000 1.147 339 T CB -0.230 68.614 68.868 -0.040 0.000 0.862 339 T HN 0.310 nan 8.240 nan 0.000 0.446 340 K N 0.645 120.970 120.400 -0.126 0.000 2.026 340 K HA -0.092 4.257 4.320 0.049 0.000 0.208 340 K C 2.260 178.702 176.600 -0.263 0.000 1.048 340 K CA 1.199 57.387 56.287 -0.166 0.000 0.929 340 K CB -0.343 32.042 32.500 -0.191 0.000 0.713 340 K HN 0.153 nan 8.250 nan 0.000 0.439 341 V N 1.808 121.536 119.914 -0.311 0.000 2.392 341 V HA -0.264 3.886 4.120 0.049 0.000 0.249 341 V C 2.107 178.139 176.094 -0.104 0.000 1.059 341 V CA 1.922 64.043 62.300 -0.297 0.000 1.051 341 V CB -0.422 31.084 31.823 -0.528 0.000 0.658 341 V HN 0.360 nan 8.190 nan 0.000 0.455 342 K N 0.277 120.618 120.400 -0.099 0.000 2.097 342 K HA -0.056 4.294 4.320 0.049 0.000 0.205 342 K C 2.308 178.962 176.600 0.089 0.000 1.050 342 K CA 1.344 57.667 56.287 0.061 0.000 0.938 342 K CB -0.398 32.144 32.500 0.070 0.000 0.718 342 K HN 0.478 nan 8.250 nan 0.000 0.442 343 A N 1.112 123.979 122.820 0.078 0.000 1.898 343 A HA -0.183 4.167 4.320 0.049 0.000 0.216 343 A C 1.782 179.495 177.584 0.215 0.000 1.181 343 A CA 1.285 53.403 52.037 0.134 0.000 0.620 343 A CB -0.762 18.323 19.000 0.141 0.000 0.819 343 A HN 0.339 nan 8.150 nan 0.000 0.442 344 H N -0.663 118.426 119.070 0.032 0.000 2.321 344 H HA -0.084 4.501 4.556 0.049 0.000 0.300 344 H C 2.099 177.453 175.328 0.043 0.000 1.087 344 H CA 1.407 57.479 56.048 0.041 0.000 1.319 344 H CB -0.116 29.672 29.762 0.044 0.000 1.379 344 H HN 0.446 nan 8.280 nan 0.000 0.501 345 I N 1.048 121.733 120.570 0.192 0.000 2.127 345 I HA -0.259 3.940 4.170 0.049 0.000 0.241 345 I C 2.465 178.636 176.117 0.090 0.000 1.075 345 I CA 1.191 62.570 61.300 0.131 0.000 1.334 345 I CB -0.164 37.930 38.000 0.156 0.000 1.040 345 I HN 0.255 nan 8.210 nan 0.000 0.405 346 E N 0.552 120.807 120.200 0.092 0.000 2.077 346 E HA -0.269 4.111 4.350 0.049 0.000 0.193 346 E C 1.759 178.386 176.600 0.046 0.000 0.989 346 E CA 1.324 57.763 56.400 0.064 0.000 0.800 346 E CB -0.641 29.097 29.700 0.064 0.000 0.746 346 E HN 0.553 nan 8.360 nan 0.000 0.452 347 D N 0.752 121.179 120.400 0.046 0.000 2.104 347 D HA -0.174 4.496 4.640 0.049 0.000 0.194 347 D C 1.836 178.137 176.300 0.001 0.000 0.994 347 D CA 1.639 55.651 54.000 0.019 0.000 0.830 347 D CB 0.181 40.983 40.800 0.004 0.000 0.959 347 D HN 0.075 nan 8.370 nan 0.000 0.452 348 A N 0.598 123.416 122.820 -0.003 0.000 1.877 348 A HA -0.108 4.242 4.320 0.049 0.000 0.216 348 A C 2.674 180.247 177.584 -0.018 0.000 1.186 348 A CA 1.585 53.605 52.037 -0.029 0.000 0.620 348 A CB -0.872 18.104 19.000 -0.040 0.000 0.822 348 A HN 0.243 nan 8.150 nan 0.000 0.443 349 V N 1.075 120.991 119.914 0.003 0.000 2.407 349 V HA -0.233 3.916 4.120 0.049 0.000 0.248 349 V C 2.959 179.056 176.094 0.005 0.000 1.055 349 V CA 2.308 64.612 62.300 0.006 0.000 1.049 349 V CB -0.882 30.953 31.823 0.020 0.000 0.662 349 V HN 0.831 nan 8.190 nan 0.000 0.455 350 S N -0.109 115.596 115.700 0.009 0.000 2.442 350 S HA -0.164 4.335 4.470 0.049 0.000 0.236 350 S C 1.601 176.203 174.600 0.002 0.000 1.007 350 S CA 1.174 59.379 58.200 0.009 0.000 0.965 350 S CB -0.323 62.885 63.200 0.013 0.000 0.773 350 S HN 0.668 nan 8.310 nan 0.000 0.504 351 K N 0.306 120.703 120.400 -0.005 0.000 2.440 351 K HA 0.380 4.730 4.320 0.049 0.000 0.206 351 K C 1.004 177.595 176.600 -0.015 0.000 1.025 351 K CA 0.309 56.591 56.287 -0.009 0.000 1.135 351 K CB 0.542 33.035 32.500 -0.012 0.000 0.856 351 K HN 0.501 nan 8.250 nan 0.000 0.502 352 G N 0.773 109.564 108.800 -0.014 0.000 2.218 352 G HA2 -0.248 3.742 3.960 0.049 0.000 0.216 352 G HA3 -0.248 3.742 3.960 0.049 0.000 0.216 352 G C 0.326 175.213 174.900 -0.023 0.000 0.994 352 G CA -0.164 44.926 45.100 -0.017 0.000 0.637 352 G HN 0.422 nan 8.290 nan 0.000 0.505 353 A N 0.274 123.073 122.820 -0.034 0.000 2.386 353 A HA 0.601 4.950 4.320 0.049 0.000 0.246 353 A C 0.369 177.946 177.584 -0.011 0.000 1.089 353 A CA 0.524 52.538 52.037 -0.038 0.000 0.790 353 A CB 0.388 19.350 19.000 -0.063 0.000 1.042 353 A HN 0.237 nan 8.150 nan 0.000 0.497 354 K N 0.716 121.117 120.400 0.001 0.000 2.376 354 K HA 0.357 4.706 4.320 0.049 0.000 0.257 354 K C -1.529 175.083 176.600 0.021 0.000 0.939 354 K CA -0.704 55.591 56.287 0.013 0.000 0.809 354 K CB 1.817 34.328 32.500 0.019 0.000 1.121 354 K HN 0.491 nan 8.250 nan 0.000 0.425 355 L N 5.560 126.795 121.223 0.021 0.000 2.385 355 L HA 0.205 4.575 4.340 0.049 0.000 0.285 355 L C 0.954 177.835 176.870 0.019 0.000 1.125 355 L CA 0.194 55.050 54.840 0.027 0.000 0.890 355 L CB -0.322 41.757 42.059 0.032 0.000 1.251 355 L HN 0.698 nan 8.230 nan 0.000 0.445 356 I N 0.747 121.328 120.570 0.020 0.000 3.226 356 I HA 0.245 4.445 4.170 0.049 0.000 0.277 356 I C 0.671 176.786 176.117 -0.004 0.000 1.243 356 I CA 0.305 61.611 61.300 0.010 0.000 1.459 356 I CB 0.059 38.068 38.000 0.016 0.000 1.093 356 I HN 0.591 nan 8.210 nan 0.000 0.453 357 T N -0.397 114.155 114.554 -0.003 0.000 2.830 357 T HA 0.548 4.928 4.350 0.049 0.000 0.322 357 T C 0.002 174.690 174.700 -0.019 0.000 1.501 357 T CA 0.257 62.345 62.100 -0.021 0.000 1.036 357 T CB 0.971 69.816 68.868 -0.038 0.000 1.379 357 T HN 0.847 nan 8.240 nan 0.000 0.493 358 G N 1.897 110.667 108.800 -0.050 0.000 2.566 358 G HA2 0.233 4.222 3.960 0.049 0.000 0.280 358 G HA3 0.233 4.222 3.960 0.049 0.000 0.280 358 G C 1.043 175.889 174.900 -0.091 0.000 1.225 358 G CA 1.065 46.117 45.100 -0.081 0.000 0.966 358 G HN 2.486 nan 8.290 nan 0.000 0.560 359 G N -1.224 107.504 108.800 -0.121 0.000 2.246 359 G HA2 -0.071 3.918 3.960 0.049 0.000 0.273 359 G HA3 -0.071 3.918 3.960 0.049 0.000 0.273 359 G C 0.104 174.812 174.900 -0.320 0.000 1.055 359 G CA 1.846 46.895 45.100 -0.086 0.000 0.851 359 G HN 1.110 nan 8.290 nan 0.000 0.500 360 K N -0.317 119.658 120.400 -0.708 0.000 2.435 360 K HA 0.438 4.788 4.320 0.049 0.000 0.251 360 K C -0.000 176.119 176.600 -0.801 0.000 0.954 360 K CA -0.969 54.989 56.287 -0.548 0.000 0.820 360 K CB 2.032 34.384 32.500 -0.246 0.000 1.292 360 K HN 0.278 nan 8.250 nan 0.000 0.436 361 E N 1.646 121.677 120.200 -0.281 0.000 2.414 361 E HA -0.014 4.365 4.350 0.049 0.000 0.263 361 E C 0.230 176.800 176.600 -0.051 0.000 1.000 361 E CA 0.177 56.564 56.400 -0.021 0.000 0.914 361 E CB 0.528 30.313 29.700 0.141 0.000 0.948 361 E HN 0.367 nan 8.360 nan 0.000 0.444 362 L N 1.999 123.237 121.223 0.026 0.000 2.693 362 L HA 0.279 4.649 4.340 0.049 0.000 0.235 362 L C 0.656 177.564 176.870 0.064 0.000 1.127 362 L CA 0.063 54.913 54.840 0.017 0.000 0.914 362 L CB 0.382 42.446 42.059 0.009 0.000 1.193 362 L HN 0.773 nan 8.230 nan 0.000 0.502 363 G N -0.968 107.904 108.800 0.119 0.000 2.742 363 G HA2 0.295 4.284 3.960 0.049 0.000 0.686 363 G HA3 0.295 4.284 3.960 0.049 0.000 0.686 363 G C 0.168 175.195 174.900 0.211 0.000 1.220 363 G CA -0.617 44.557 45.100 0.122 0.000 0.783 363 G HN 0.480 nan 8.290 nan 0.000 0.646 364 G N -0.154 108.734 108.800 0.146 0.000 2.596 364 G HA2 -0.154 3.836 3.960 0.049 0.000 0.295 364 G HA3 -0.154 3.836 3.960 0.049 0.000 0.295 364 G C 1.103 176.046 174.900 0.073 0.000 1.240 364 G CA 0.774 45.948 45.100 0.123 0.000 0.985 364 G HN 1.672 nan 8.290 nan 0.000 0.555 365 L N 0.329 121.524 121.223 -0.047 0.000 2.653 365 L HA 0.392 4.761 4.340 0.049 0.000 0.231 365 L C 0.330 177.079 176.870 -0.202 0.000 1.153 365 L CA -0.327 54.421 54.840 -0.153 0.000 0.933 365 L CB -0.129 41.772 42.059 -0.265 0.000 1.175 365 L HN 0.219 nan 8.230 nan 0.000 0.473 366 F N -0.229 119.764 119.950 0.071 0.000 2.412 366 F HA 0.316 4.873 4.527 0.049 0.000 0.348 366 F C -0.015 175.888 175.800 0.172 0.000 1.102 366 F CA -0.086 57.969 58.000 0.091 0.000 1.196 366 F CB 0.799 39.821 39.000 0.037 0.000 1.144 366 F HN -0.224 nan 8.300 nan 0.000 0.541 367 F N 2.170 122.230 119.950 0.184 0.000 2.581 367 F HA 0.283 4.840 4.527 0.049 0.000 0.311 367 F C -0.440 175.423 175.800 0.105 0.000 1.113 367 F CA -0.975 57.089 58.000 0.107 0.000 0.935 367 F CB 1.449 40.486 39.000 0.061 0.000 1.232 367 F HN 0.466 nan 8.300 nan 0.000 0.445 368 E N 6.725 126.652 120.200 -0.454 0.000 2.223 368 E HA 0.309 4.688 4.350 0.049 0.000 0.282 368 E C -2.438 174.117 176.600 -0.075 0.000 1.046 368 E CA -2.041 54.225 56.400 -0.223 0.000 0.857 368 E CB 0.928 30.464 29.700 -0.274 0.000 1.055 368 E HN 0.216 nan 8.360 nan 0.000 0.409 369 P HA 0.010 nan 4.420 nan 0.000 0.264 369 P C -0.517 176.837 177.300 0.091 0.000 1.179 369 P CA 0.290 63.475 63.100 0.142 0.000 0.763 369 P CB 0.819 32.468 31.700 -0.086 0.000 0.806 370 G N 1.581 110.516 108.800 0.225 0.000 2.727 370 G HA2 0.767 4.757 3.960 0.049 0.000 0.289 370 G HA3 0.767 4.757 3.960 0.049 0.000 0.289 370 G C -1.748 173.262 174.900 0.182 0.000 1.418 370 G CA -0.668 44.516 45.100 0.140 0.000 0.818 370 G HN 0.390 nan 8.290 nan 0.000 0.486 371 I N 0.114 120.747 120.570 0.105 0.000 2.569 371 I HA 0.373 4.573 4.170 0.049 0.000 0.290 371 I C -0.925 175.229 176.117 0.061 0.000 1.088 371 I CA -0.538 60.816 61.300 0.090 0.000 1.047 371 I CB 2.363 40.398 38.000 0.057 0.000 1.237 371 I HN 0.128 nan 8.210 nan 0.000 0.421 372 L N 5.260 126.514 121.223 0.051 0.000 2.317 372 L HA 0.589 4.958 4.340 0.049 0.000 0.281 372 L C 0.426 177.315 176.870 0.032 0.000 1.024 372 L CA -0.405 54.452 54.840 0.028 0.000 0.810 372 L CB 1.992 44.051 42.059 -0.001 0.000 1.240 372 L HN 0.652 nan 8.230 nan 0.000 0.427 373 T N -1.703 112.884 114.554 0.055 0.000 2.948 373 T HA 0.587 4.966 4.350 0.049 0.000 0.285 373 T C 0.832 175.573 174.700 0.068 0.000 1.019 373 T CA -0.140 62.040 62.100 0.133 0.000 1.013 373 T CB 1.619 70.605 68.868 0.198 0.000 1.117 373 T HN 0.942 nan 8.240 nan 0.000 0.533 374 G N 0.174 109.028 108.800 0.090 0.000 2.305 374 G HA2 -0.158 3.831 3.960 0.049 0.000 0.287 374 G HA3 -0.158 3.831 3.960 0.049 0.000 0.287 374 G C -0.035 174.795 174.900 -0.116 0.000 1.036 374 G CA 0.066 45.145 45.100 -0.035 0.000 0.887 374 G HN 1.039 nan 8.290 nan 0.000 0.505 375 V N 0.832 120.609 119.914 -0.229 0.000 2.546 375 V HA 0.754 4.903 4.120 0.049 0.000 0.284 375 V C 0.976 176.744 176.094 -0.543 0.000 1.050 375 V CA 0.459 62.436 62.300 -0.538 0.000 0.981 375 V CB 1.391 32.625 31.823 -0.982 0.000 0.990 375 V HN 0.892 nan 8.190 nan 0.000 0.474 376 T N -0.229 114.118 114.554 -0.344 0.000 2.864 376 T HA 0.327 4.706 4.350 0.049 0.000 0.289 376 T C 1.041 175.861 174.700 0.199 0.000 1.082 376 T CA 0.051 62.155 62.100 0.006 0.000 1.009 376 T CB 1.605 70.495 68.868 0.038 0.000 1.234 376 T HN 0.649 nan 8.240 nan 0.000 0.526 377 S N -0.017 115.875 115.700 0.320 0.000 2.469 377 S HA -0.126 4.373 4.470 0.049 0.000 0.238 377 S C 1.270 175.979 174.600 0.182 0.000 0.998 377 S CA 1.139 59.524 58.200 0.309 0.000 0.957 377 S CB -0.725 62.609 63.200 0.224 0.000 0.764 377 S HN 0.893 nan 8.310 nan 0.000 0.514 378 D N 0.263 120.732 120.400 0.115 0.000 2.339 378 D HA 0.087 4.756 4.640 0.049 0.000 0.217 378 D C 0.438 176.766 176.300 0.046 0.000 1.050 378 D CA -0.094 53.949 54.000 0.070 0.000 0.856 378 D CB -0.140 40.688 40.800 0.048 0.000 0.922 378 D HN 0.397 nan 8.370 nan 0.000 0.518 379 M N 0.570 120.195 119.600 0.042 0.000 2.274 379 M HA 0.103 4.612 4.480 0.049 0.000 0.344 379 M C 1.165 177.465 176.300 -0.001 0.000 1.161 379 M CA -0.806 54.491 55.300 -0.005 0.000 1.126 379 M CB 2.188 34.749 32.600 -0.064 0.000 1.522 379 M HN -0.170 nan 8.290 nan 0.000 0.461 380 L N 3.368 124.553 121.223 -0.063 0.000 2.043 380 L HA -0.142 4.228 4.340 0.049 0.000 0.212 380 L C 1.994 178.760 176.870 -0.174 0.000 1.075 380 L CA 1.939 56.706 54.840 -0.122 0.000 0.752 380 L CB -0.505 41.429 42.059 -0.208 0.000 0.891 380 L HN 0.685 nan 8.230 nan 0.000 0.432 381 V N -0.156 119.617 119.914 -0.236 0.000 2.688 381 V HA -0.259 3.891 4.120 0.049 0.000 0.256 381 V C 2.572 178.771 176.094 0.176 0.000 1.084 381 V CA 1.581 63.828 62.300 -0.088 0.000 1.103 381 V CB -0.657 31.175 31.823 0.016 0.000 0.688 381 V HN 0.641 nan 8.190 nan 0.000 0.480 382 A N -0.872 122.097 122.820 0.249 0.000 2.019 382 A HA -0.122 4.227 4.320 0.049 0.000 0.219 382 A C 2.171 179.876 177.584 0.201 0.000 1.164 382 A CA 1.598 53.825 52.037 0.317 0.000 0.644 382 A CB -0.232 18.983 19.000 0.358 0.000 0.805 382 A HN 0.488 nan 8.150 nan 0.000 0.449 383 K N -0.931 119.564 120.400 0.158 0.000 2.399 383 K HA 0.194 4.543 4.320 0.049 0.000 0.196 383 K C 0.256 176.991 176.600 0.224 0.000 1.103 383 K CA 0.277 56.668 56.287 0.174 0.000 0.986 383 K CB 0.600 33.176 32.500 0.127 0.000 0.952 383 K HN 0.698 nan 8.250 nan 0.000 0.541 384 E N 1.296 121.605 120.200 0.181 0.000 2.222 384 E HA 0.171 4.550 4.350 0.049 0.000 0.267 384 E C -1.163 175.612 176.600 0.291 0.000 0.884 384 E CA -0.330 56.207 56.400 0.227 0.000 0.764 384 E CB 1.568 31.398 29.700 0.218 0.000 1.169 384 E HN -0.052 nan 8.360 nan 0.000 0.413 385 E N 2.032 122.358 120.200 0.210 0.000 2.376 385 E HA 0.025 4.405 4.350 0.049 0.000 0.266 385 E C 0.211 176.970 176.600 0.265 0.000 1.009 385 E CA 0.272 56.803 56.400 0.219 0.000 0.902 385 E CB 1.066 30.849 29.700 0.139 0.000 0.972 385 E HN 0.573 nan 8.360 nan 0.000 0.439 386 T N 3.189 117.883 114.554 0.234 0.000 2.896 386 T HA -0.083 4.296 4.350 0.049 0.000 0.263 386 T C 0.459 175.197 174.700 0.063 0.000 1.050 386 T CA 0.007 62.087 62.100 -0.034 0.000 1.140 386 T CB -0.124 68.788 68.868 0.074 0.000 0.877 386 T HN 0.608 nan 8.240 nan 0.000 0.457 387 F N 1.352 121.273 119.950 -0.049 0.000 3.027 387 F HA -0.092 4.464 4.527 0.048 0.000 0.276 387 F C 0.724 176.510 175.800 -0.025 0.000 0.967 387 F CA 0.590 58.582 58.000 -0.012 0.000 0.929 387 F CB -1.203 37.811 39.000 0.024 0.000 0.873 387 F HN 0.341 nan 8.300 nan 0.000 0.787 388 G N -0.383 108.407 108.800 -0.017 0.000 2.687 388 G HA2 0.651 4.641 3.960 0.049 0.000 0.291 388 G HA3 0.651 4.641 3.960 0.049 0.000 0.291 388 G C -3.182 171.707 174.900 -0.018 0.000 1.420 388 G CA -0.832 44.249 45.100 -0.032 0.000 0.796 388 G HN -0.149 nan 8.290 nan 0.000 0.485 389 P HA 0.338 nan 4.420 nan 0.000 0.225 389 P C -1.049 176.408 177.300 0.261 0.000 1.830 389 P CA -0.173 63.035 63.100 0.179 0.000 1.051 389 P CB 0.459 32.379 31.700 0.367 0.000 1.929 390 L N 1.758 123.013 121.223 0.054 0.000 2.441 390 L HA 0.688 5.058 4.340 0.049 0.000 0.270 390 L C -0.904 175.959 176.870 -0.012 0.000 0.973 390 L CA -0.982 53.923 54.840 0.109 0.000 0.842 390 L CB 1.856 43.992 42.059 0.128 0.000 1.239 390 L HN 0.125 nan 8.230 nan 0.000 0.406 391 A N 6.794 129.634 122.820 0.034 0.000 2.294 391 A HA 0.809 5.158 4.320 0.049 0.000 0.316 391 A C -2.567 175.043 177.584 0.044 0.000 1.359 391 A CA -1.274 50.756 52.037 -0.011 0.000 0.956 391 A CB -0.195 18.835 19.000 0.049 0.000 1.155 391 A HN 0.517 nan 8.150 nan 0.000 0.544 392 P HA 0.374 nan 4.420 nan 0.000 0.297 392 P C -0.828 176.504 177.300 0.053 0.000 1.342 392 P CA -0.072 63.042 63.100 0.023 0.000 0.801 392 P CB 0.894 32.628 31.700 0.058 0.000 0.920 393 L N 4.878 126.105 121.223 0.007 0.000 2.264 393 L HA 0.426 4.796 4.340 0.049 0.000 0.287 393 L C -0.111 176.866 176.870 0.179 0.000 1.039 393 L CA -0.494 54.404 54.840 0.097 0.000 0.829 393 L CB -0.037 42.034 42.059 0.021 0.000 1.211 393 L HN 0.267 nan 8.230 nan 0.000 0.427 394 F N 2.030 121.986 119.950 0.010 0.000 2.410 394 F HA 0.521 5.078 4.527 0.050 0.000 0.349 394 F C 0.885 176.875 175.800 0.317 0.000 1.117 394 F CA -0.616 57.416 58.000 0.053 0.000 1.104 394 F CB 1.423 40.224 39.000 -0.331 0.000 1.122 394 F HN 0.480 nan 8.300 nan 0.000 0.483 395 A N 4.601 127.684 122.820 0.437 0.000 2.340 395 A HA 0.714 5.063 4.320 0.049 0.000 0.268 395 A C -0.919 176.893 177.584 0.380 0.000 1.100 395 A CA -0.261 51.938 52.037 0.271 0.000 0.803 395 A CB 0.217 19.075 19.000 -0.235 0.000 1.043 395 A HN 0.748 nan 8.150 nan 0.000 0.488 396 F N -0.754 119.300 119.950 0.173 0.000 2.645 396 F HA 0.637 5.193 4.527 0.050 0.000 0.310 396 F C -0.315 175.528 175.800 0.072 0.000 1.102 396 F CA -1.035 57.037 58.000 0.120 0.000 0.952 396 F CB 1.225 40.290 39.000 0.109 0.000 1.326 396 F HN 0.409 nan 8.300 nan 0.000 0.456 397 D N 0.042 120.548 120.400 0.178 0.000 2.490 397 D HA 0.081 4.750 4.640 0.049 0.000 0.244 397 D C 0.564 176.980 176.300 0.194 0.000 0.979 397 D CA 1.565 55.606 54.000 0.069 0.000 0.924 397 D CB 0.589 41.431 40.800 0.070 0.000 1.075 397 D HN 0.687 nan 8.370 nan 0.000 0.488 398 T N -1.980 112.777 114.554 0.338 0.000 2.924 398 T HA 0.318 4.697 4.350 0.049 0.000 0.291 398 T C 0.887 175.813 174.700 0.377 0.000 1.045 398 T CA -0.750 61.539 62.100 0.315 0.000 1.015 398 T CB 3.042 72.010 68.868 0.167 0.000 1.103 398 T HN -0.102 nan 8.240 nan 0.000 0.496 399 E N 0.497 120.915 120.200 0.363 0.000 2.097 399 E HA -0.255 4.124 4.350 0.049 0.000 0.196 399 E C 1.451 178.093 176.600 0.070 0.000 1.000 399 E CA 1.816 58.400 56.400 0.306 0.000 0.804 399 E CB -0.060 29.756 29.700 0.192 0.000 0.740 399 E HN 0.768 nan 8.360 nan 0.000 0.454 400 E N 0.618 120.846 120.200 0.047 0.000 2.077 400 E HA -0.222 4.158 4.350 0.049 0.000 0.193 400 E C 1.898 178.470 176.600 -0.047 0.000 0.989 400 E CA 1.516 57.908 56.400 -0.013 0.000 0.800 400 E CB -0.203 29.496 29.700 -0.002 0.000 0.746 400 E HN 0.502 nan 8.360 nan 0.000 0.452 401 E N 0.560 120.752 120.200 -0.014 0.000 2.072 401 E HA -0.151 4.229 4.350 0.049 0.000 0.191 401 E C 2.076 178.571 176.600 -0.176 0.000 0.985 401 E CA 1.150 57.529 56.400 -0.036 0.000 0.801 401 E CB -0.112 29.623 29.700 0.059 0.000 0.750 401 E HN 0.175 nan 8.360 nan 0.000 0.452 402 V N 0.957 120.676 119.914 -0.326 0.000 2.548 402 V HA -0.159 3.991 4.120 0.049 0.000 0.249 402 V C 2.229 177.983 176.094 -0.568 0.000 1.055 402 V CA 1.147 63.011 62.300 -0.726 0.000 1.065 402 V CB -0.273 30.628 31.823 -1.536 0.000 0.681 402 V HN 0.346 nan 8.190 nan 0.000 0.462 403 I N 0.353 120.719 120.570 -0.341 0.000 2.179 403 I HA -0.216 3.983 4.170 0.049 0.000 0.242 403 I C 2.714 178.703 176.117 -0.213 0.000 1.088 403 I CA 1.619 62.767 61.300 -0.252 0.000 1.357 403 I CB -0.728 37.171 38.000 -0.169 0.000 1.051 403 I HN 0.378 nan 8.210 nan 0.000 0.409 404 A N 0.089 122.804 122.820 -0.174 0.000 1.933 404 A HA -0.263 4.086 4.320 0.049 0.000 0.218 404 A C 2.238 179.735 177.584 -0.145 0.000 1.175 404 A CA 1.641 53.602 52.037 -0.126 0.000 0.628 404 A CB -0.600 18.349 19.000 -0.085 0.000 0.814 404 A HN 0.485 nan 8.150 nan 0.000 0.444 405 Q N -0.893 118.769 119.800 -0.229 0.000 2.083 405 Q HA -0.018 4.351 4.340 0.049 0.000 0.198 405 Q C 2.463 178.304 176.000 -0.266 0.000 0.969 405 Q CA 1.104 56.765 55.803 -0.237 0.000 0.838 405 Q CB -0.361 28.187 28.738 -0.317 0.000 0.900 405 Q HN 0.682 nan 8.270 nan 0.000 0.436 406 A N 1.652 124.227 122.820 -0.408 0.000 1.892 406 A HA -0.222 4.127 4.320 0.049 0.000 0.218 406 A C 1.665 179.267 177.584 0.030 0.000 1.188 406 A CA 1.784 53.678 52.037 -0.238 0.000 0.631 406 A CB -0.469 18.363 19.000 -0.281 0.000 0.822 406 A HN 0.298 nan 8.150 nan 0.000 0.447 407 N N 0.105 118.797 118.700 -0.013 0.000 2.467 407 N HA -0.019 4.751 4.740 0.049 0.000 0.184 407 N C -0.127 175.366 175.510 -0.028 0.000 1.106 407 N CA 0.514 53.567 53.050 0.004 0.000 0.892 407 N CB -0.187 38.273 38.487 -0.045 0.000 0.969 407 N HN 0.400 nan 8.380 nan 0.000 0.454 408 D N 0.779 121.167 120.400 -0.020 0.000 2.688 408 D HA 0.079 4.748 4.640 0.049 0.000 0.228 408 D C -0.717 175.592 176.300 0.016 0.000 1.116 408 D CA 0.275 54.268 54.000 -0.012 0.000 1.023 408 D CB -0.264 40.533 40.800 -0.005 0.000 1.100 408 D HN -0.073 nan 8.370 nan 0.000 0.487 409 T N 0.450 114.998 114.554 -0.011 0.000 2.957 409 T HA 0.175 4.554 4.350 0.049 0.000 0.336 409 T C 1.244 175.864 174.700 -0.134 0.000 1.462 409 T CA -0.752 61.349 62.100 0.000 0.000 1.073 409 T CB 0.519 69.475 68.868 0.147 0.000 1.319 409 T HN 0.165 nan 8.240 nan 0.000 0.485 410 I N 0.579 120.969 120.570 -0.300 0.000 3.001 410 I HA 0.318 4.517 4.170 0.049 0.000 0.268 410 I C -0.174 175.612 176.117 -0.552 0.000 1.267 410 I CA 0.371 61.391 61.300 -0.466 0.000 1.472 410 I CB -0.308 37.343 38.000 -0.580 0.000 1.089 410 I HN 0.229 nan 8.210 nan 0.000 0.468 411 F N 1.931 121.849 119.950 -0.053 0.000 2.380 411 F HA 0.683 5.238 4.527 0.048 0.000 0.319 411 F C 1.111 176.774 175.800 -0.229 0.000 1.113 411 F CA -0.765 57.196 58.000 -0.065 0.000 1.056 411 F CB 1.169 40.189 39.000 0.033 0.000 1.289 411 F HN -0.086 nan 8.300 nan 0.000 0.515 412 G N 0.854 109.652 108.800 -0.004 0.000 4.809 412 G HA2 0.304 4.293 3.960 0.049 0.000 0.225 412 G HA3 0.304 4.293 3.960 0.049 0.000 0.225 412 G C -0.612 174.254 174.900 -0.056 0.000 1.929 412 G CA -0.181 44.668 45.100 -0.419 0.000 0.616 412 G HN 0.525 nan 8.290 nan 0.000 0.286 413 L N 0.935 122.281 121.223 0.205 0.000 2.496 413 L HA 0.908 5.277 4.340 0.049 0.000 0.189 413 L C 1.281 178.246 176.870 0.159 0.000 1.308 413 L CA 1.277 56.201 54.840 0.141 0.000 0.912 413 L CB -0.149 41.972 42.059 0.104 0.000 1.148 413 L HN 0.359 nan 8.230 nan 0.000 0.537 414 A N -0.818 122.061 122.820 0.098 0.000 2.340 414 A HA 0.858 5.207 4.320 0.049 0.000 0.331 414 A C -0.980 176.371 177.584 -0.388 0.000 1.140 414 A CA 0.064 51.992 52.037 -0.181 0.000 0.801 414 A CB 0.983 19.850 19.000 -0.222 0.000 1.234 414 A HN 0.602 nan 8.150 nan 0.000 0.469 415 A N 0.486 122.892 122.820 -0.690 0.000 2.556 415 A HA 0.821 5.170 4.320 0.049 0.000 0.294 415 A C -1.627 175.533 177.584 -0.706 0.000 1.091 415 A CA -0.458 51.145 52.037 -0.723 0.000 0.704 415 A CB 0.981 19.391 19.000 -0.983 0.000 1.300 415 A HN 0.903 nan 8.150 nan 0.000 0.406 416 Y N -0.450 119.789 120.300 -0.102 0.000 2.512 416 Y HA 0.708 5.288 4.550 0.050 0.000 0.348 416 Y C -0.494 175.350 175.900 -0.092 0.000 0.990 416 Y CA -0.788 57.232 58.100 -0.133 0.000 1.033 416 Y CB 2.183 40.494 38.460 -0.247 0.000 1.259 416 Y HN 0.820 nan 8.280 nan 0.000 0.461 417 F N -0.594 119.284 119.950 -0.120 0.000 2.628 417 F HA 0.693 5.249 4.527 0.047 0.000 0.309 417 F C -2.364 173.482 175.800 0.077 0.000 1.108 417 F CA -1.671 56.312 58.000 -0.029 0.000 0.971 417 F CB 1.249 40.285 39.000 0.061 0.000 1.279 417 F HN 0.391 nan 8.300 nan 0.000 0.441 418 Y N 1.647 121.989 120.300 0.070 0.000 2.328 418 Y HA 0.619 5.200 4.550 0.051 0.000 0.337 418 Y C 0.178 176.287 175.900 0.348 0.000 0.966 418 Y CA -0.594 57.566 58.100 0.101 0.000 1.136 418 Y CB 2.123 40.633 38.460 0.084 0.000 1.170 418 Y HN 0.944 nan 8.280 nan 0.000 0.470 419 T N 2.034 116.802 114.554 0.358 0.000 2.932 419 T HA 0.207 4.586 4.350 0.049 0.000 0.318 419 T C 0.010 174.856 174.700 0.242 0.000 1.265 419 T CA -0.677 61.615 62.100 0.319 0.000 1.036 419 T CB 1.304 70.292 68.868 0.200 0.000 1.209 419 T HN 0.629 nan 8.240 nan 0.000 0.484 420 E N 2.041 122.347 120.200 0.177 0.000 2.489 420 E HA 0.066 4.446 4.350 0.049 0.000 0.193 420 E C 0.460 177.143 176.600 0.139 0.000 1.057 420 E CA -0.014 56.469 56.400 0.139 0.000 0.866 420 E CB 0.152 29.919 29.700 0.111 0.000 0.916 420 E HN 0.516 nan 8.360 nan 0.000 0.500 421 N N 0.612 119.383 118.700 0.118 0.000 2.434 421 N HA 0.001 4.770 4.740 0.049 0.000 0.272 421 N C 0.451 176.029 175.510 0.113 0.000 1.040 421 N CA -0.153 52.957 53.050 0.099 0.000 0.956 421 N CB 0.753 39.258 38.487 0.030 0.000 1.108 421 N HN -0.128 nan 8.380 nan 0.000 0.481 422 F N 3.942 123.905 119.950 0.021 0.000 2.065 422 F HA -0.210 4.345 4.527 0.047 0.000 0.298 422 F C 2.225 178.016 175.800 -0.015 0.000 1.112 422 F CA 1.672 59.682 58.000 0.017 0.000 1.212 422 F CB -0.189 38.820 39.000 0.015 0.000 0.975 422 F HN 0.490 nan 8.300 nan 0.000 0.476 423 S N 0.099 115.833 115.700 0.056 0.000 2.383 423 S HA -0.187 4.313 4.470 0.049 0.000 0.227 423 S C 2.076 176.557 174.600 -0.197 0.000 1.026 423 S CA 1.175 59.323 58.200 -0.087 0.000 0.981 423 S CB -0.421 62.800 63.200 0.037 0.000 0.818 423 S HN 0.407 nan 8.310 nan 0.000 0.472 424 R N 1.216 121.610 120.500 -0.175 0.000 2.092 424 R HA -0.043 4.326 4.340 0.049 0.000 0.231 424 R C 2.323 178.447 176.300 -0.292 0.000 1.119 424 R CA 1.195 57.139 56.100 -0.261 0.000 0.970 424 R CB -0.433 29.671 30.300 -0.327 0.000 0.864 424 R HN 0.367 nan 8.270 nan 0.000 0.440 425 A N 1.615 124.291 122.820 -0.241 0.000 1.883 425 A HA -0.169 4.181 4.320 0.049 0.000 0.217 425 A C 2.063 179.474 177.584 -0.289 0.000 1.186 425 A CA 1.422 53.309 52.037 -0.251 0.000 0.624 425 A CB -0.467 18.299 19.000 -0.389 0.000 0.822 425 A HN 0.283 nan 8.150 nan 0.000 0.444 426 I N -0.343 119.998 120.570 -0.381 0.000 2.142 426 I HA -0.224 3.975 4.170 0.049 0.000 0.240 426 I C 2.620 178.581 176.117 -0.259 0.000 1.078 426 I CA 1.614 62.723 61.300 -0.318 0.000 1.343 426 I CB -1.443 36.353 38.000 -0.339 0.000 1.046 426 I HN 0.367 nan 8.210 nan 0.000 0.405 427 R N 0.194 120.535 120.500 -0.265 0.000 2.073 427 R HA -0.107 4.262 4.340 0.049 0.000 0.234 427 R C 2.378 178.499 176.300 -0.299 0.000 1.134 427 R CA 1.274 57.231 56.100 -0.237 0.000 0.952 427 R CB -0.396 29.778 30.300 -0.211 0.000 0.850 427 R HN 0.220 nan 8.270 nan 0.000 0.433 428 V N 0.899 120.543 119.914 -0.450 0.000 2.379 428 V HA -0.216 3.934 4.120 0.049 0.000 0.245 428 V C 2.511 178.217 176.094 -0.646 0.000 1.044 428 V CA 2.015 63.926 62.300 -0.647 0.000 1.036 428 V CB -0.340 30.854 31.823 -1.048 0.000 0.664 428 V HN 0.466 nan 8.190 nan 0.000 0.453 429 S N 0.247 115.598 115.700 -0.581 0.000 2.382 429 S HA -0.243 4.257 4.470 0.049 0.000 0.228 429 S C 1.784 176.283 174.600 -0.169 0.000 1.027 429 S CA 1.724 59.773 58.200 -0.253 0.000 0.991 429 S CB -0.474 62.723 63.200 -0.004 0.000 0.823 429 S HN 0.720 nan 8.310 nan 0.000 0.469 430 E N 1.665 121.761 120.200 -0.173 0.000 2.107 430 E HA 0.073 4.453 4.350 0.049 0.000 0.191 430 E C 2.406 178.935 176.600 -0.118 0.000 0.982 430 E CA 0.861 57.187 56.400 -0.123 0.000 0.809 430 E CB -0.362 29.270 29.700 -0.113 0.000 0.756 430 E HN 0.718 nan 8.360 nan 0.000 0.459 431 A N 1.287 124.016 122.820 -0.152 0.000 2.015 431 A HA -0.038 4.311 4.320 0.049 0.000 0.219 431 A C 1.249 178.773 177.584 -0.100 0.000 1.163 431 A CA 0.376 52.335 52.037 -0.130 0.000 0.646 431 A CB -0.398 18.510 19.000 -0.152 0.000 0.806 431 A HN 0.088 nan 8.150 nan 0.000 0.448 432 L N 1.224 122.388 121.223 -0.098 0.000 2.462 432 L HA 0.060 4.429 4.340 0.049 0.000 0.272 432 L C 0.038 176.974 176.870 0.110 0.000 1.166 432 L CA -0.104 54.753 54.840 0.029 0.000 0.880 432 L CB 0.526 42.574 42.059 -0.018 0.000 1.142 432 L HN 0.342 nan 8.230 nan 0.000 0.473 433 E N 4.470 124.723 120.200 0.088 0.000 2.110 433 E HA 0.191 4.571 4.350 0.049 0.000 0.300 433 E C -1.400 174.913 176.600 -0.478 0.000 1.278 433 E CA -0.014 56.291 56.400 -0.158 0.000 1.365 433 E CB 0.085 29.653 29.700 -0.221 0.000 1.283 433 E HN 0.346 nan 8.360 nan 0.000 0.490 434 Y N -1.533 118.719 120.300 -0.080 0.000 2.562 434 Y HA 0.332 4.911 4.550 0.048 0.000 0.345 434 Y C 1.309 177.151 175.900 -0.096 0.000 1.045 434 Y CA -1.059 56.992 58.100 -0.082 0.000 1.028 434 Y CB 1.769 40.166 38.460 -0.105 0.000 1.297 434 Y HN 0.226 nan 8.280 nan 0.000 0.463 435 G N 1.168 109.974 108.800 0.009 0.000 2.511 435 G HA2 0.062 4.051 3.960 0.049 0.000 0.217 435 G HA3 0.062 4.051 3.960 0.049 0.000 0.217 435 G C 0.103 174.952 174.900 -0.086 0.000 1.133 435 G CA 0.413 45.485 45.100 -0.047 0.000 0.792 435 G HN 0.421 nan 8.290 nan 0.000 0.539 436 M N 0.506 120.040 119.600 -0.110 0.000 2.267 436 M HA 0.470 4.980 4.480 0.049 0.000 0.289 436 M C -1.743 174.426 176.300 -0.220 0.000 1.043 436 M CA -0.492 54.676 55.300 -0.220 0.000 0.928 436 M CB 3.431 35.771 32.600 -0.432 0.000 1.613 436 M HN -0.258 nan 8.290 nan 0.000 0.450 437 V N 1.616 121.423 119.914 -0.179 0.000 2.525 437 V HA 0.690 4.840 4.120 0.049 0.000 0.299 437 V C 0.159 176.167 176.094 -0.143 0.000 1.034 437 V CA -0.779 61.422 62.300 -0.166 0.000 0.863 437 V CB 1.971 33.786 31.823 -0.013 0.000 0.999 437 V HN 1.003 nan 8.190 nan 0.000 0.423 438 G N 1.997 110.666 108.800 -0.218 0.000 2.320 438 G HA2 0.456 4.446 3.960 0.049 0.000 0.300 438 G HA3 0.456 4.446 3.960 0.049 0.000 0.300 438 G C -0.622 174.174 174.900 -0.174 0.000 1.126 438 G CA -0.227 44.826 45.100 -0.078 0.000 0.896 438 G HN 0.865 nan 8.290 nan 0.000 0.436 439 H N 2.918 121.730 119.070 -0.431 0.000 2.551 439 H HA 0.171 4.756 4.556 0.048 0.000 0.321 439 H C 0.181 175.071 175.328 -0.729 0.000 1.028 439 H CA -0.755 54.778 56.048 -0.857 0.000 1.215 439 H CB 0.490 29.806 29.762 -0.744 0.000 1.414 439 H HN 0.553 nan 8.280 nan 0.000 0.480 440 N N 2.659 120.630 118.700 -1.215 0.000 2.714 440 N HA -0.197 4.572 4.740 0.049 0.000 0.250 440 N C -0.788 174.178 175.510 -0.906 0.000 1.117 440 N CA 1.587 53.740 53.050 -1.495 0.000 0.719 440 N CB -1.143 36.788 38.487 -0.928 0.000 1.081 440 N HN 0.708 nan 8.380 nan 0.000 0.557 441 T N -3.076 111.130 114.554 -0.581 0.000 2.942 441 T HA 0.590 4.969 4.350 0.049 0.000 0.327 441 T C 0.806 175.641 174.700 0.226 0.000 1.360 441 T CA 0.048 62.142 62.100 -0.010 0.000 1.055 441 T CB 1.389 70.242 68.868 -0.026 0.000 1.261 441 T HN 0.059 nan 8.240 nan 0.000 0.485 442 G N 1.995 110.976 108.800 0.302 0.000 3.126 442 G HA2 0.359 4.348 3.960 0.049 0.000 0.224 442 G HA3 0.359 4.348 3.960 0.049 0.000 0.224 442 G C 0.045 175.050 174.900 0.175 0.000 1.142 442 G CA -0.056 45.170 45.100 0.211 0.000 0.759 442 G HN 0.584 nan 8.290 nan 0.000 0.550 443 L N 1.694 123.029 121.223 0.187 0.000 2.316 443 L HA 0.464 4.834 4.340 0.049 0.000 0.280 443 L C 0.715 177.685 176.870 0.167 0.000 1.006 443 L CA -0.625 54.312 54.840 0.161 0.000 0.836 443 L CB 1.763 43.875 42.059 0.088 0.000 1.221 443 L HN 0.237 nan 8.230 nan 0.000 0.418 444 I N -2.255 118.448 120.570 0.222 0.000 4.227 444 I HA 0.266 4.465 4.170 0.049 0.000 0.334 444 I C 0.521 176.827 176.117 0.315 0.000 1.341 444 I CA -0.045 61.381 61.300 0.211 0.000 1.123 444 I CB 0.901 38.997 38.000 0.159 0.000 1.097 444 I HN 0.318 nan 8.210 nan 0.000 0.399 445 S N 3.245 119.105 115.700 0.268 0.000 2.510 445 S HA 0.388 4.888 4.470 0.049 0.000 0.279 445 S C -0.276 174.344 174.600 0.032 0.000 1.284 445 S CA -0.256 58.033 58.200 0.148 0.000 1.059 445 S CB 0.245 63.329 63.200 -0.194 0.000 0.901 445 S HN 0.804 nan 8.310 nan 0.000 0.491 446 N N 1.010 119.725 118.700 0.025 0.000 3.378 446 N HA 0.214 4.984 4.740 0.049 0.000 0.294 446 N C -0.084 175.261 175.510 -0.275 0.000 1.544 446 N CA -0.832 52.194 53.050 -0.039 0.000 0.872 446 N CB 0.362 38.796 38.487 -0.088 0.000 1.670 446 N HN 0.358 nan 8.380 nan 0.000 0.551 447 E N -0.262 119.568 120.200 -0.616 0.000 2.460 447 E HA 0.035 4.415 4.350 0.049 0.000 0.200 447 E C 0.940 176.911 176.600 -1.048 0.000 1.011 447 E CA 0.942 56.694 56.400 -1.080 0.000 0.912 447 E CB -0.023 28.826 29.700 -1.418 0.000 0.953 447 E HN 0.519 nan 8.360 nan 0.000 0.494 448 V N -1.880 117.511 119.914 -0.871 0.000 3.590 448 V HA 0.538 4.688 4.120 0.049 0.000 0.265 448 V C 0.981 176.792 176.094 -0.471 0.000 1.239 448 V CA 0.190 61.850 62.300 -1.066 0.000 1.117 448 V CB 0.025 31.367 31.823 -0.802 0.000 0.818 448 V HN 0.293 nan 8.190 nan 0.000 0.451 449 A N 1.714 124.425 122.820 -0.182 0.000 2.337 449 A HA 0.888 5.237 4.320 0.049 0.000 0.331 449 A C -2.932 174.787 177.584 0.225 0.000 1.137 449 A CA -2.140 49.931 52.037 0.057 0.000 0.807 449 A CB 1.020 20.091 19.000 0.117 0.000 1.250 449 A HN 0.272 nan 8.150 nan 0.000 0.468 450 P HA 0.335 nan 4.420 nan 0.000 0.282 450 P C -1.257 176.232 177.300 0.316 0.000 1.262 450 P CA 0.321 63.615 63.100 0.324 0.000 0.773 450 P CB 0.281 32.168 31.700 0.312 0.000 0.879 451 F N 2.790 122.810 119.950 0.117 0.000 2.426 451 F HA 0.661 5.215 4.527 0.045 0.000 0.348 451 F C 0.998 176.838 175.800 0.067 0.000 1.124 451 F CA 0.470 58.522 58.000 0.086 0.000 1.008 451 F CB 1.980 41.041 39.000 0.101 0.000 1.139 451 F HN 0.572 nan 8.300 nan 0.000 0.452 452 G N 1.969 110.790 108.800 0.036 0.000 2.327 452 G HA2 0.443 4.432 3.960 0.049 0.000 0.291 452 G HA3 0.443 4.432 3.960 0.049 0.000 0.291 452 G C -1.589 173.302 174.900 -0.016 0.000 1.290 452 G CA -0.221 44.906 45.100 0.044 0.000 0.857 452 G HN 0.870 nan 8.290 nan 0.000 0.520 453 G N -1.453 107.352 108.800 0.009 0.000 2.537 453 G HA2 0.884 4.874 3.960 0.049 0.000 0.308 453 G HA3 0.884 4.874 3.960 0.049 0.000 0.308 453 G C -0.160 174.728 174.900 -0.019 0.000 1.237 453 G CA 0.200 45.301 45.100 0.001 0.000 0.968 453 G HN 1.850 nan 8.290 nan 0.000 0.481 454 V N -1.505 118.379 119.914 -0.051 0.000 3.096 454 V HA 0.825 4.975 4.120 0.049 0.000 0.319 454 V C 0.755 176.802 176.094 -0.079 0.000 1.082 454 V CA -0.388 61.867 62.300 -0.075 0.000 1.022 454 V CB 0.987 32.743 31.823 -0.112 0.000 1.103 454 V HN 1.116 nan 8.190 nan 0.000 0.455 455 K N -0.221 120.127 120.400 -0.087 0.000 1.844 455 K HA -0.286 4.064 4.320 0.049 0.000 0.160 455 K C 1.052 177.614 176.600 -0.064 0.000 1.448 455 K CA 1.995 58.222 56.287 -0.099 0.000 0.446 455 K CB -1.190 31.218 32.500 -0.154 0.000 0.635 455 K HN 0.881 nan 8.250 nan 0.000 0.848 456 Q N 0.450 120.200 119.800 -0.084 0.000 2.322 456 Q HA 0.138 4.508 4.340 0.049 0.000 0.203 456 Q C 0.829 176.918 176.000 0.149 0.000 0.923 456 Q CA 0.209 55.998 55.803 -0.024 0.000 0.949 456 Q CB 0.450 29.093 28.738 -0.158 0.000 1.039 456 Q HN 0.315 nan 8.270 nan 0.000 0.496 457 S N -0.038 115.758 115.700 0.160 0.000 2.562 457 S HA 0.197 4.696 4.470 0.049 0.000 0.221 457 S C 0.628 175.298 174.600 0.116 0.000 0.975 457 S CA 0.539 58.855 58.200 0.194 0.000 0.918 457 S CB 0.472 63.766 63.200 0.156 0.000 0.772 457 S HN 0.632 nan 8.310 nan 0.000 0.531 458 G N 0.263 109.112 108.800 0.081 0.000 2.357 458 G HA2 0.197 4.186 3.960 0.049 0.000 0.289 458 G HA3 0.197 4.186 3.960 0.049 0.000 0.289 458 G C -2.163 172.761 174.900 0.040 0.000 1.302 458 G CA -1.115 44.028 45.100 0.071 0.000 0.936 458 G HN 0.171 nan 8.290 nan 0.000 0.513 459 L N 0.576 121.824 121.223 0.042 0.000 2.410 459 L HA 0.717 5.087 4.340 0.049 0.000 0.270 459 L C 0.811 177.695 176.870 0.022 0.000 0.983 459 L CA 0.053 54.906 54.840 0.021 0.000 0.822 459 L CB 1.644 43.712 42.059 0.014 0.000 1.285 459 L HN 2.397 nan 8.230 nan 0.000 0.409 460 G N 2.146 110.954 108.800 0.013 0.000 2.829 460 G HA2 -0.114 3.876 3.960 0.049 0.000 0.628 460 G HA3 -0.114 3.876 3.960 0.049 0.000 0.628 460 G C -1.182 173.753 174.900 0.058 0.000 1.412 460 G CA -0.884 44.230 45.100 0.024 0.000 0.864 460 G HN 0.481 nan 8.290 nan 0.000 0.544 461 R N 0.351 120.909 120.500 0.097 0.000 2.807 461 R HA 0.644 5.013 4.340 0.049 0.000 0.276 461 R C -0.131 176.301 176.300 0.220 0.000 0.979 461 R CA -0.727 55.471 56.100 0.164 0.000 0.928 461 R CB 1.738 32.149 30.300 0.185 0.000 1.191 461 R HN 0.757 nan 8.270 nan 0.000 0.471 462 E N -0.061 120.296 120.200 0.261 0.000 2.227 462 E HA 0.581 4.960 4.350 0.049 0.000 0.268 462 E C -0.220 176.611 176.600 0.385 0.000 0.907 462 E CA -0.666 55.897 56.400 0.272 0.000 0.786 462 E CB 2.197 31.968 29.700 0.118 0.000 1.191 462 E HN 0.747 nan 8.360 nan 0.000 0.411 463 G N 1.795 110.933 108.800 0.563 0.000 2.855 463 G HA2 -0.074 3.916 3.960 0.049 0.000 0.352 463 G HA3 -0.074 3.916 3.960 0.049 0.000 0.352 463 G C -0.071 175.016 174.900 0.311 0.000 1.415 463 G CA -0.109 45.278 45.100 0.478 0.000 0.871 463 G HN 1.611 nan 8.290 nan 0.000 0.543 464 S N -1.985 113.634 115.700 -0.135 0.000 3.918 464 S HA -0.163 4.336 4.470 0.049 0.000 0.653 464 S C 1.454 176.262 174.600 0.348 0.000 1.661 464 S CA 1.434 59.621 58.200 -0.021 0.000 1.805 464 S CB -0.897 62.374 63.200 0.120 0.000 0.331 464 S HN 2.669 nan 8.310 nan 0.000 1.611 465 K N 0.280 120.795 120.400 0.192 0.000 2.360 465 K HA -0.149 4.200 4.320 0.049 0.000 0.201 465 K C 1.303 177.837 176.600 -0.110 0.000 1.046 465 K CA 2.191 58.471 56.287 -0.012 0.000 0.940 465 K CB -0.530 31.805 32.500 -0.276 0.000 0.748 465 K HN 0.753 nan 8.250 nan 0.000 0.465 466 Y N 0.929 121.392 120.300 0.272 0.000 2.500 466 Y HA 0.238 4.812 4.550 0.039 0.000 0.270 466 Y C 2.590 178.665 175.900 0.291 0.000 1.134 466 Y CA 0.239 58.480 58.100 0.235 0.000 1.293 466 Y CB -0.149 38.414 38.460 0.172 0.000 1.063 466 Y HN 0.183 nan 8.280 nan 0.000 0.534 467 G N 0.251 109.385 108.800 0.556 0.000 2.408 467 G HA2 -0.217 3.773 3.960 0.049 0.000 0.217 467 G HA3 -0.217 3.773 3.960 0.049 0.000 0.217 467 G C 1.678 176.820 174.900 0.403 0.000 1.150 467 G CA 0.680 46.112 45.100 0.554 0.000 0.776 467 G HN 0.461 nan 8.290 nan 0.000 0.542 468 I N 1.197 122.049 120.570 0.469 0.000 2.493 468 I HA -0.102 4.098 4.170 0.049 0.000 0.254 468 I C 2.869 179.137 176.117 0.252 0.000 1.160 468 I CA 1.416 62.892 61.300 0.293 0.000 1.445 468 I CB -0.082 38.108 38.000 0.316 0.000 1.086 468 I HN 0.472 nan 8.210 nan 0.000 0.433 469 E N 0.111 120.447 120.200 0.226 0.000 2.338 469 E HA -0.220 4.160 4.350 0.049 0.000 0.197 469 E C 1.242 177.888 176.600 0.078 0.000 1.007 469 E CA 0.620 57.112 56.400 0.153 0.000 0.849 469 E CB -0.295 29.503 29.700 0.164 0.000 0.774 469 E HN 0.514 nan 8.360 nan 0.000 0.506 470 E N 0.324 120.547 120.200 0.038 0.000 2.338 470 E HA -0.139 4.240 4.350 0.049 0.000 0.197 470 E C 0.449 176.756 176.600 -0.488 0.000 1.007 470 E CA 0.854 57.124 56.400 -0.216 0.000 0.849 470 E CB -0.111 29.412 29.700 -0.296 0.000 0.774 470 E HN 0.574 nan 8.360 nan 0.000 0.506 471 Y N -0.415 119.899 120.300 0.024 0.000 2.584 471 Y HA 0.317 4.894 4.550 0.046 0.000 0.254 471 Y C 0.589 176.507 175.900 0.030 0.000 1.177 471 Y CA -0.128 57.982 58.100 0.017 0.000 1.216 471 Y CB 0.664 39.120 38.460 -0.007 0.000 1.172 471 Y HN -0.171 nan 8.280 nan 0.000 0.529 472 L N 0.229 121.516 121.223 0.107 0.000 2.354 472 L HA 0.526 4.895 4.340 0.049 0.000 0.264 472 L C -0.425 176.479 176.870 0.055 0.000 1.008 472 L CA -1.079 53.814 54.840 0.088 0.000 0.819 472 L CB 2.172 44.285 42.059 0.091 0.000 1.339 472 L HN -0.127 nan 8.230 nan 0.000 0.420 473 E N 0.834 121.066 120.200 0.053 0.000 2.195 473 E HA 0.355 4.735 4.350 0.049 0.000 0.271 473 E C -0.957 175.675 176.600 0.053 0.000 0.923 473 E CA -0.500 55.927 56.400 0.045 0.000 0.790 473 E CB 2.230 31.954 29.700 0.040 0.000 1.155 473 E HN 0.418 nan 8.360 nan 0.000 0.402 474 T N 2.600 117.187 114.554 0.055 0.000 2.780 474 T HA 0.231 4.610 4.350 0.049 0.000 0.294 474 T C 0.229 174.975 174.700 0.076 0.000 0.949 474 T CA -0.128 62.013 62.100 0.068 0.000 1.074 474 T CB 0.625 69.534 68.868 0.067 0.000 0.910 474 T HN 0.191 nan 8.240 nan 0.000 0.501 475 K N 2.942 123.393 120.400 0.084 0.000 2.376 475 K HA 0.354 4.703 4.320 0.049 0.000 0.257 475 K C -1.548 175.137 176.600 0.141 0.000 0.939 475 K CA -0.866 55.475 56.287 0.089 0.000 0.809 475 K CB 0.969 33.500 32.500 0.051 0.000 1.121 475 K HN 0.590 nan 8.250 nan 0.000 0.425 476 Y N 5.991 126.303 120.300 0.021 0.000 2.335 476 Y HA 0.451 5.031 4.550 0.050 0.000 0.339 476 Y C -1.229 174.682 175.900 0.019 0.000 0.987 476 Y CA -1.092 57.021 58.100 0.021 0.000 1.140 476 Y CB 0.588 39.060 38.460 0.020 0.000 1.173 476 Y HN 0.450 nan 8.280 nan 0.000 0.486 477 I N 7.040 127.488 120.570 -0.203 0.000 2.389 477 I HA 0.287 4.486 4.170 0.049 0.000 0.288 477 I C -0.915 174.984 176.117 -0.363 0.000 0.999 477 I CA -0.713 60.393 61.300 -0.323 0.000 1.129 477 I CB 1.424 39.359 38.000 -0.109 0.000 1.288 477 I HN 0.673 nan 8.210 nan 0.000 0.444 478 C N 5.389 124.396 119.300 -0.488 0.000 2.251 478 C HA 0.652 5.142 4.460 0.049 0.000 0.323 478 C C 0.121 175.058 174.990 -0.088 0.000 1.241 478 C CA -0.061 58.827 59.018 -0.218 0.000 1.601 478 C CB -0.241 27.346 27.740 -0.255 0.000 2.251 478 C HN 0.796 nan 8.230 nan 0.000 0.488 479 S N 4.139 119.838 115.700 -0.002 0.000 2.478 479 S HA 0.756 5.256 4.470 0.049 0.000 0.312 479 S C -0.094 174.560 174.600 0.091 0.000 1.094 479 S CA -0.404 57.813 58.200 0.029 0.000 1.081 479 S CB 1.566 64.785 63.200 0.032 0.000 1.007 479 S HN 1.078 nan 8.310 nan 0.000 0.475 480 A N 2.850 125.716 122.820 0.076 0.000 2.316 480 A HA 0.783 5.132 4.320 0.049 0.000 0.284 480 A C -0.692 176.986 177.584 0.156 0.000 1.115 480 A CA -0.520 51.568 52.037 0.086 0.000 0.812 480 A CB 0.166 19.177 19.000 0.018 0.000 1.064 480 A HN 0.926 nan 8.150 nan 0.000 0.489 481 Y N -0.485 119.815 120.300 0.000 0.000 2.581 481 Y HA 0.661 5.241 4.550 0.050 0.000 0.345 481 Y C -0.511 175.390 175.900 0.001 0.000 1.036 481 Y CA -1.309 56.791 58.100 -0.000 0.000 1.042 481 Y CB 1.345 39.806 38.460 0.001 0.000 1.289 481 Y HN 0.530 nan 8.280 nan 0.000 0.471 482 K N 3.970 124.333 120.400 -0.061 0.000 2.349 482 K HA 0.291 4.640 4.320 0.049 0.000 0.289 482 K C -0.234 176.310 176.600 -0.093 0.000 1.064 482 K CA -0.363 55.850 56.287 -0.124 0.000 0.947 482 K CB 0.835 33.328 32.500 -0.012 0.000 1.007 482 K HN 0.687 nan 8.250 nan 0.000 0.478 483 R N 0.000 120.361 120.500 -0.231 0.000 2.786 483 R HA 0.000 4.369 4.340 0.049 0.000 0.208 483 R CA 0.000 56.073 56.100 -0.045 0.000 0.921 483 R CB 0.000 30.242 30.300 -0.096 0.000 0.687 483 R HN 0.000 nan 8.270 nan 0.000 0.535