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 2zze_1_B DATA FIRST_RESID 2 DATA SEQUENCE EFIMXTRMFE EEGWIRXXCX VCGXPFWTLD PDRETCGDPP CDEYQFIGKP DATA SEQUENCE GIPRXYTLDE MREXFLRFFE XHEIYPHGRV XRYPVLPRWR DDVLLVGASI DATA SEQUENCE MDFQPWVISG EADPPANPLV ISQPSIRFTD IDNVGITGRH FTIFEMMAHH DATA SEQUENCE AFNYPGXPIY WMDETVELAF EFFTKELXMX PEDITFKENP WAGGGNAGPA DATA SEQUENCE FEVLYRGLEV ATLVFMQYXX APENAPQDQV VVIXGEKYIP METXVVDTGY DATA SEQUENCE GLERLVWMSQ GTPTAYDAVL GYVVEPLXXM AGIEKIDEKI LMENSRLAGM DATA SEQUENCE FDIEDLGDLR YLREQVAKRV GITVEELEKA IRPYELIYAI ADHTKALTFM DATA SEQUENCE LADGVVPSNV XAGYLARLLI RKSIRHLREL GLEVPLSEIV ALHIXELHKT DATA SEQUENCE FPEFXEMEDI ILEMIELEEK XYAETLRRGS DLVRREIAKL KKKGIKEIPV DATA SEQUENCE EXLVTFYESH GLTPEIVXEI AEKEGVKVNI PDNFYSMVAK EAERTXXXXX DATA SEQUENCE XXLVDFELLK DLPDTRRLYY EDPFMXEFDA XVLRVIXDWV ILDATAFYPE DATA SEQUENCE GGGQPYDTGV LIVNGREVXV TNVQXVGXVI IHXVEDPGAF XEGMIVHGXI DATA SEQUENCE DWXRRIQHMR HHTGTHVLMG ALVRVLGRHV WQAGSQLTTD WARLDISHYX DATA SEQUENCE RISEEELXEI EMLANRIVME DRXVTWEWLP RTTAEQXYGF RLYQGGVVPG DATA SEQUENCE REIRVVXIED WDVQAXGGTH LPSTGLVGPI XILRTERIQD GVERIIFACG DATA SEQUENCE E 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.484 176.600 -0.194 0.000 1.382 2 E CA 0.000 56.299 56.400 -0.168 0.000 0.976 2 E CB 0.000 29.596 29.700 -0.173 0.000 0.812 3 F N 1.922 121.897 119.950 0.042 0.000 2.427 3 F HA 0.409 4.938 4.527 0.004 0.000 0.352 3 F C 0.679 176.521 175.800 0.070 0.000 1.100 3 F CA -1.180 56.858 58.000 0.063 0.000 1.191 3 F CB 0.615 39.650 39.000 0.059 0.000 1.128 3 F HN 0.020 nan 8.300 nan 0.000 0.533 4 I N 4.909 125.643 120.570 0.273 0.000 2.396 4 I HA 0.351 4.524 4.170 0.004 0.000 0.292 4 I C 0.093 176.312 176.117 0.171 0.000 0.999 4 I CA -0.300 61.123 61.300 0.205 0.000 1.310 4 I CB 0.822 38.919 38.000 0.163 0.000 1.404 4 I HN 0.596 nan 8.210 nan 0.000 0.496 8 R N 0.172 120.448 120.500 -0.373 0.000 2.083 8 R HA -0.065 4.277 4.340 0.004 0.000 0.237 8 R C 2.465 178.607 176.300 -0.263 0.000 1.137 8 R CA 2.111 58.068 56.100 -0.238 0.000 0.951 8 R CB -0.413 29.781 30.300 -0.177 0.000 0.851 8 R HN 0.761 nan 8.270 nan 0.000 0.434 9 M N -0.123 119.213 119.600 -0.439 0.000 2.108 9 M HA -0.194 4.289 4.480 0.004 0.000 0.261 9 M C 1.481 177.616 176.300 -0.276 0.000 1.066 9 M CA 1.707 56.761 55.300 -0.411 0.000 1.107 9 M CB -0.109 32.102 32.600 -0.648 0.000 1.356 9 M HN 0.128 nan 8.290 nan 0.000 0.406 10 F N 1.016 120.638 119.950 -0.546 0.000 2.102 10 F HA -0.220 4.309 4.527 0.002 0.000 0.298 10 F C 2.516 178.326 175.800 0.016 0.000 1.105 10 F CA 1.926 59.681 58.000 -0.409 0.000 1.239 10 F CB -1.401 37.056 39.000 -0.906 0.000 0.991 10 F HN 0.414 nan 8.300 nan 0.000 0.474 11 E N -0.002 120.277 120.200 0.132 0.000 2.158 11 E HA -0.135 4.218 4.350 0.004 0.000 0.191 11 E C 1.728 178.397 176.600 0.114 0.000 0.982 11 E CA 1.277 57.765 56.400 0.146 0.000 0.823 11 E CB -0.582 29.177 29.700 0.097 0.000 0.766 11 E HN 0.455 nan 8.360 nan 0.000 0.468 12 E N 0.329 120.571 120.200 0.070 0.000 2.158 12 E HA -0.069 4.283 4.350 0.004 0.000 0.191 12 E C 1.143 177.800 176.600 0.095 0.000 0.982 12 E CA 0.719 57.155 56.400 0.060 0.000 0.823 12 E CB 0.234 29.945 29.700 0.019 0.000 0.766 12 E HN 0.266 nan 8.360 nan 0.000 0.468 13 E N -0.482 119.819 120.200 0.168 0.000 2.501 13 E HA 0.113 4.466 4.350 0.004 0.000 0.200 13 E C 0.555 177.237 176.600 0.136 0.000 1.016 13 E CA 0.206 56.711 56.400 0.174 0.000 0.921 13 E CB 1.149 30.987 29.700 0.230 0.000 1.034 13 E HN 0.299 nan 8.360 nan 0.000 0.468 14 G N 1.597 110.504 108.800 0.177 0.000 2.198 14 G HA2 -0.249 3.714 3.960 0.004 0.000 0.257 14 G HA3 -0.249 3.714 3.960 0.004 0.000 0.257 14 G C -0.412 174.545 174.900 0.094 0.000 1.042 14 G CA -0.097 45.066 45.100 0.106 0.000 0.791 14 G HN 0.135 nan 8.290 nan 0.000 0.502 15 W N -0.510 120.853 121.300 0.105 0.000 2.218 15 W HA 0.645 5.310 4.660 0.009 0.000 0.326 15 W C 0.541 177.165 176.519 0.175 0.000 1.276 15 W CA -0.741 56.683 57.345 0.132 0.000 1.210 15 W CB 0.526 30.058 29.460 0.122 0.000 1.143 15 W HN 0.012 nan 8.180 nan 0.000 0.563 16 I N 3.819 124.536 120.570 0.245 0.000 2.378 16 I HA 0.320 4.492 4.170 0.004 0.000 0.291 16 I C 0.569 176.499 176.117 -0.311 0.000 0.992 16 I CA -1.519 59.785 61.300 0.006 0.000 1.154 16 I CB 0.936 38.895 38.000 -0.068 0.000 1.315 16 I HN 0.482 nan 8.210 nan 0.000 0.448 23 C N 1.660 120.963 119.300 0.004 0.000 2.799 23 C HA 0.695 5.158 4.460 0.004 0.000 0.267 23 C C 1.393 176.403 174.990 0.033 0.000 1.257 23 C CA 0.105 59.130 59.018 0.012 0.000 1.702 23 C CB -0.752 26.994 27.740 0.010 0.000 1.934 23 C HN 1.788 nan 8.230 nan 0.000 0.594 27 F N -1.541 118.359 119.950 -0.082 0.000 2.668 27 F HA 0.850 5.379 4.527 0.004 0.000 0.309 27 F C -2.089 173.606 175.800 -0.174 0.000 1.117 27 F CA -1.010 57.009 58.000 0.033 0.000 0.951 27 F CB 1.172 40.234 39.000 0.104 0.000 1.323 27 F HN 0.219 nan 8.300 nan 0.000 0.451 28 W N 0.838 122.197 121.300 0.099 0.000 2.573 28 W HA 0.708 5.368 4.660 0.000 0.000 0.326 28 W C -0.385 176.367 176.519 0.387 0.000 1.049 28 W CA -0.767 56.523 57.345 -0.090 0.000 1.220 28 W CB 2.138 31.128 29.460 -0.782 0.000 1.373 28 W HN 0.779 nan 8.180 nan 0.000 0.507 29 T N 2.776 117.643 114.554 0.522 0.000 2.894 29 T HA 0.357 4.709 4.350 0.004 0.000 0.309 29 T C 0.025 174.722 174.700 -0.005 0.000 1.208 29 T CA -0.546 61.794 62.100 0.399 0.000 1.016 29 T CB 1.022 70.117 68.868 0.378 0.000 1.192 29 T HN 0.443 nan 8.240 nan 0.000 0.491 30 L N 1.483 122.474 121.223 -0.388 0.000 2.567 30 L HA 0.318 4.660 4.340 0.004 0.000 0.225 30 L C 0.636 177.391 176.870 -0.192 0.000 1.119 30 L CA 0.163 54.716 54.840 -0.479 0.000 0.871 30 L CB 0.193 41.824 42.059 -0.714 0.000 1.036 30 L HN 0.551 nan 8.230 nan 0.000 0.459 31 D N 1.241 121.594 120.400 -0.078 0.000 2.339 31 D HA 0.104 4.747 4.640 0.004 0.000 0.241 31 D C -1.459 174.838 176.300 -0.005 0.000 1.183 31 D CA -2.169 51.818 54.000 -0.023 0.000 0.859 31 D CB 1.522 42.334 40.800 0.020 0.000 1.067 31 D HN -0.070 nan 8.370 nan 0.000 0.484 32 P HA -0.028 nan 4.420 nan 0.000 0.226 32 P C 0.085 177.385 177.300 0.001 0.000 1.153 32 P CA 0.597 63.688 63.100 -0.015 0.000 0.777 32 P CB 0.587 32.275 31.700 -0.020 0.000 0.794 33 D N -1.015 119.390 120.400 0.009 0.000 2.369 33 D HA 0.035 4.678 4.640 0.004 0.000 0.211 33 D C 0.936 177.257 176.300 0.034 0.000 1.077 33 D CA 0.073 54.081 54.000 0.014 0.000 0.842 33 D CB -0.025 40.778 40.800 0.005 0.000 0.947 33 D HN 0.189 nan 8.370 nan 0.000 0.509 34 R N 1.571 122.109 120.500 0.064 0.000 2.298 34 R HA 0.062 4.404 4.340 0.004 0.000 0.310 34 R C 0.485 176.894 176.300 0.181 0.000 1.068 34 R CA 0.200 56.365 56.100 0.109 0.000 0.957 34 R CB 0.586 30.979 30.300 0.156 0.000 1.003 34 R HN -0.208 nan 8.270 nan 0.000 0.454 35 E N 2.241 122.530 120.200 0.148 0.000 2.490 35 E HA 0.043 4.396 4.350 0.004 0.000 0.209 35 E C -0.036 176.694 176.600 0.218 0.000 0.971 35 E CA 0.371 56.881 56.400 0.182 0.000 0.988 35 E CB 1.191 30.940 29.700 0.081 0.000 1.029 35 E HN 0.762 nan 8.360 nan 0.000 0.496 36 T N -1.689 112.884 114.554 0.032 0.000 2.932 36 T HA 0.221 4.574 4.350 0.004 0.000 0.289 36 T C 1.485 175.676 174.700 -0.848 0.000 1.039 36 T CA -0.582 61.386 62.100 -0.219 0.000 1.024 36 T CB 1.546 70.324 68.868 -0.150 0.000 1.090 36 T HN 0.131 nan 8.240 nan 0.000 0.496 37 C N -0.446 118.316 119.300 -0.897 0.000 2.456 37 C HA 0.542 5.005 4.460 0.004 0.000 0.279 37 C C 2.275 176.902 174.990 -0.605 0.000 1.427 37 C CA 0.190 58.492 59.018 -1.194 0.000 1.778 37 C CB -1.818 25.653 27.740 -0.447 0.000 1.842 37 C HN 1.674 nan 8.230 nan 0.000 0.531 38 G N 0.381 108.961 108.800 -0.367 0.000 2.176 38 G HA2 -0.150 3.812 3.960 0.004 0.000 0.232 38 G HA3 -0.150 3.812 3.960 0.004 0.000 0.232 38 G C -0.488 174.351 174.900 -0.101 0.000 0.986 38 G CA 0.393 45.380 45.100 -0.190 0.000 0.643 38 G HN 0.636 nan 8.290 nan 0.000 0.522 39 D N 1.077 121.417 120.400 -0.099 0.000 2.278 39 D HA 0.602 5.244 4.640 0.004 0.000 0.245 39 D C -2.320 173.951 176.300 -0.048 0.000 1.052 39 D CA -1.854 52.124 54.000 -0.036 0.000 0.834 39 D CB 2.095 42.883 40.800 -0.020 0.000 1.194 39 D HN 0.045 nan 8.370 nan 0.000 0.481 40 P HA 0.115 nan 4.420 nan 0.000 0.267 40 P C -1.958 175.294 177.300 -0.080 0.000 1.200 40 P CA -0.887 62.158 63.100 -0.091 0.000 0.772 40 P CB 0.296 31.904 31.700 -0.154 0.000 0.855 41 P HA 0.042 nan 4.420 nan 0.000 0.249 41 P C 0.262 177.502 177.300 -0.099 0.000 1.229 41 P CA 0.389 63.416 63.100 -0.121 0.000 0.788 41 P CB -0.352 31.265 31.700 -0.137 0.000 1.072 42 C N -0.454 118.793 119.300 -0.088 0.000 2.440 42 C HA -0.003 4.460 4.460 0.004 0.000 0.278 42 C C 0.911 175.845 174.990 -0.094 0.000 1.295 42 C CA 0.814 59.779 59.018 -0.088 0.000 1.738 42 C CB -1.279 26.399 27.740 -0.103 0.000 1.987 42 C HN 0.265 nan 8.230 nan 0.000 0.492 43 D N -1.444 118.899 120.400 -0.095 0.000 2.477 43 D HA 0.398 5.041 4.640 0.004 0.000 0.234 43 D C -0.582 175.672 176.300 -0.078 0.000 1.048 43 D CA -0.473 53.478 54.000 -0.083 0.000 0.959 43 D CB 1.159 41.908 40.800 -0.086 0.000 1.408 43 D HN 0.221 nan 8.370 nan 0.000 0.496 44 E N 0.123 120.286 120.200 -0.063 0.000 2.227 44 E HA 0.241 4.594 4.350 0.004 0.000 0.268 44 E C -0.611 176.018 176.600 0.047 0.000 0.990 44 E CA -0.818 55.539 56.400 -0.072 0.000 0.856 44 E CB 0.920 30.578 29.700 -0.070 0.000 1.159 44 E HN 0.352 nan 8.360 nan 0.000 0.401 45 Y N 1.690 121.957 120.300 -0.055 0.000 2.721 45 Y HA -0.058 4.494 4.550 0.004 0.000 0.329 45 Y C 0.998 176.805 175.900 -0.155 0.000 1.211 45 Y CA 0.411 58.466 58.100 -0.076 0.000 1.512 45 Y CB 0.158 38.490 38.460 -0.213 0.000 1.249 45 Y HN 0.519 nan 8.280 nan 0.000 0.549 46 Q N 2.162 122.005 119.800 0.071 0.000 2.189 46 Q HA 0.121 4.464 4.340 0.004 0.000 0.223 46 Q C 0.531 176.492 176.000 -0.064 0.000 0.828 46 Q CA -0.066 55.716 55.803 -0.036 0.000 0.967 46 Q CB 0.299 29.008 28.738 -0.049 0.000 1.139 46 Q HN 0.747 nan 8.270 nan 0.000 0.497 47 F N -2.146 117.672 119.950 -0.219 0.000 2.678 47 F HA 0.447 4.976 4.527 0.004 0.000 0.305 47 F C 0.268 175.928 175.800 -0.233 0.000 1.090 47 F CA -0.700 57.149 58.000 -0.252 0.000 1.272 47 F CB 0.240 39.030 39.000 -0.350 0.000 1.060 47 F HN -0.230 nan 8.300 nan 0.000 0.576 48 I N 2.316 122.420 120.570 -0.777 0.000 2.379 48 I HA 0.393 4.565 4.170 0.004 0.000 0.290 48 I C 1.349 177.343 176.117 -0.205 0.000 1.063 48 I CA 0.663 61.648 61.300 -0.525 0.000 1.351 48 I CB 0.427 38.124 38.000 -0.505 0.000 1.410 48 I HN 0.559 nan 8.210 nan 0.000 0.505 49 G N 5.160 113.903 108.800 -0.096 0.000 2.176 49 G HA2 -0.299 3.663 3.960 0.004 0.000 0.253 49 G HA3 -0.299 3.663 3.960 0.004 0.000 0.253 49 G C 0.391 175.278 174.900 -0.023 0.000 0.979 49 G CA -0.008 45.070 45.100 -0.036 0.000 0.641 49 G HN 0.595 nan 8.290 nan 0.000 0.530 50 K N 0.852 121.234 120.400 -0.030 0.000 2.865 50 K HA 0.414 4.736 4.320 0.004 0.000 0.215 50 K C -2.886 173.735 176.600 0.035 0.000 1.120 50 K CA -1.694 54.591 56.287 -0.003 0.000 1.037 50 K CB 1.660 34.147 32.500 -0.022 0.000 1.233 50 K HN 0.029 nan 8.250 nan 0.000 0.577 51 P HA -0.026 nan 4.420 nan 0.000 0.264 51 P C 0.625 177.974 177.300 0.082 0.000 1.183 51 P CA 0.345 63.499 63.100 0.091 0.000 0.763 51 P CB 0.960 32.713 31.700 0.087 0.000 0.807 52 G N 2.559 111.415 108.800 0.093 0.000 2.838 52 G HA2 0.095 4.057 3.960 0.004 0.000 0.210 52 G HA3 0.095 4.057 3.960 0.004 0.000 0.210 52 G C 0.347 175.361 174.900 0.190 0.000 1.153 52 G CA 0.032 45.229 45.100 0.162 0.000 0.778 52 G HN 0.424 nan 8.290 nan 0.000 0.539 53 I N 1.611 122.229 120.570 0.079 0.000 2.354 53 I HA 0.249 4.421 4.170 0.004 0.000 0.292 53 I C -1.251 174.909 176.117 0.072 0.000 0.989 53 I CA -2.301 59.019 61.300 0.033 0.000 1.188 53 I CB 2.806 40.807 38.000 0.001 0.000 1.342 53 I HN -0.119 nan 8.210 nan 0.000 0.457 54 P HA -0.082 nan 4.420 nan 0.000 0.226 54 P C -0.021 177.310 177.300 0.051 0.000 1.153 54 P CA 0.998 64.127 63.100 0.048 0.000 0.777 54 P CB 0.166 31.881 31.700 0.026 0.000 0.794 58 T N -1.269 113.417 114.554 0.221 0.000 2.824 58 T HA 0.378 4.730 4.350 0.004 0.000 0.277 58 T C 0.795 175.620 174.700 0.208 0.000 0.975 58 T CA -0.556 61.655 62.100 0.185 0.000 0.966 58 T CB 0.891 69.834 68.868 0.124 0.000 1.054 58 T HN 0.519 nan 8.240 nan 0.000 0.533 59 L N 0.588 121.916 121.223 0.175 0.000 2.046 59 L HA -0.012 4.331 4.340 0.004 0.000 0.208 59 L C 2.486 179.444 176.870 0.146 0.000 1.077 59 L CA 1.764 56.701 54.840 0.162 0.000 0.747 59 L CB -0.730 41.432 42.059 0.171 0.000 0.896 59 L HN 0.692 nan 8.230 nan 0.000 0.432 60 D N -0.530 119.942 120.400 0.120 0.000 2.097 60 D HA -0.180 4.463 4.640 0.004 0.000 0.195 60 D C 2.147 178.520 176.300 0.121 0.000 0.989 60 D CA 1.171 55.221 54.000 0.085 0.000 0.827 60 D CB -0.043 40.781 40.800 0.040 0.000 0.966 60 D HN 0.416 nan 8.370 nan 0.000 0.456 61 E N -0.167 120.130 120.200 0.162 0.000 2.031 61 E HA -0.185 4.167 4.350 0.004 0.000 0.193 61 E C 1.974 178.791 176.600 0.362 0.000 0.994 61 E CA 0.866 57.407 56.400 0.235 0.000 0.800 61 E CB -0.126 29.697 29.700 0.204 0.000 0.752 61 E HN 0.095 nan 8.360 nan 0.000 0.447 62 M N 1.092 120.917 119.600 0.374 0.000 2.108 62 M HA -0.169 4.314 4.480 0.004 0.000 0.261 62 M C 2.088 178.505 176.300 0.194 0.000 1.066 62 M CA 1.603 57.024 55.300 0.201 0.000 1.107 62 M CB -0.135 32.518 32.600 0.089 0.000 1.356 62 M HN -0.129 nan 8.290 nan 0.000 0.406 63 R N -0.106 120.491 120.500 0.162 0.000 2.073 63 R HA -0.136 4.207 4.340 0.004 0.000 0.234 63 R C 0.911 177.318 176.300 0.178 0.000 1.134 63 R CA 1.321 57.499 56.100 0.131 0.000 0.952 63 R CB -0.266 30.091 30.300 0.094 0.000 0.850 63 R HN 0.401 nan 8.270 nan 0.000 0.433 67 L N 1.005 122.434 121.223 0.344 0.000 2.017 67 L HA -0.151 4.192 4.340 0.004 0.000 0.208 67 L C 2.471 179.416 176.870 0.125 0.000 1.073 67 L CA 2.025 57.007 54.840 0.236 0.000 0.745 67 L CB -0.584 41.601 42.059 0.211 0.000 0.894 67 L HN 0.175 nan 8.230 nan 0.000 0.432 68 R N 0.101 120.675 120.500 0.123 0.000 2.096 68 R HA -0.224 4.119 4.340 0.004 0.000 0.235 68 R C 2.162 178.485 176.300 0.039 0.000 1.127 68 R CA 1.527 57.676 56.100 0.082 0.000 0.968 68 R CB -0.778 29.579 30.300 0.095 0.000 0.861 68 R HN 0.275 nan 8.270 nan 0.000 0.440 69 F N -0.205 119.667 119.950 -0.130 0.000 2.095 69 F HA -0.141 4.388 4.527 0.003 0.000 0.298 69 F C 1.458 177.012 175.800 -0.409 0.000 1.104 69 F CA 1.672 59.497 58.000 -0.290 0.000 1.232 69 F CB -0.465 38.290 39.000 -0.409 0.000 0.987 69 F HN 0.026 nan 8.300 nan 0.000 0.475 70 F N 0.535 120.182 119.950 -0.505 0.000 2.206 70 F HA 0.009 4.539 4.527 0.005 0.000 0.298 70 F C 1.717 177.373 175.800 -0.241 0.000 1.090 70 F CA 1.022 58.632 58.000 -0.649 0.000 1.323 70 F CB -0.945 37.493 39.000 -0.938 0.000 1.028 70 F HN -0.006 nan 8.300 nan 0.000 0.492 74 E N 3.198 123.142 120.200 -0.427 0.000 2.208 74 E HA -0.034 4.318 4.350 0.004 0.000 0.193 74 E C 1.279 177.805 176.600 -0.124 0.000 0.988 74 E CA 1.286 57.549 56.400 -0.228 0.000 0.828 74 E CB 0.714 30.262 29.700 -0.254 0.000 0.763 74 E HN 0.506 nan 8.360 nan 0.000 0.478 75 I N -1.345 119.222 120.570 -0.005 0.000 3.039 75 I HA -0.063 4.109 4.170 0.004 0.000 0.270 75 I C 0.259 176.156 176.117 -0.366 0.000 1.150 75 I CA 0.347 61.550 61.300 -0.162 0.000 1.448 75 I CB 0.490 38.397 38.000 -0.156 0.000 1.197 75 I HN -0.061 nan 8.210 nan 0.000 0.450 76 Y N 2.892 123.291 120.300 0.165 0.000 2.747 76 Y HA 0.346 4.897 4.550 0.003 0.000 0.362 76 Y C -2.391 173.561 175.900 0.087 0.000 1.026 76 Y CA -2.716 55.387 58.100 0.006 0.000 1.135 76 Y CB 0.196 38.558 38.460 -0.163 0.000 1.175 76 Y HN -0.062 nan 8.280 nan 0.000 0.643 77 P HA 0.043 nan 4.420 nan 0.000 0.268 77 P C -0.686 176.717 177.300 0.171 0.000 1.205 77 P CA 0.308 63.513 63.100 0.176 0.000 0.771 77 P CB 1.082 32.825 31.700 0.072 0.000 0.858 78 H N -0.279 118.848 119.070 0.096 0.000 2.492 78 H HA 0.518 5.076 4.556 0.004 0.000 0.345 78 H C 0.797 176.176 175.328 0.086 0.000 1.136 78 H CA -0.252 55.863 56.048 0.112 0.000 1.202 78 H CB 1.047 30.883 29.762 0.123 0.000 1.524 78 H HN 0.470 nan 8.280 nan 0.000 0.506 79 G N 2.092 110.994 108.800 0.170 0.000 2.358 79 G HA2 0.169 4.132 3.960 0.004 0.000 0.273 79 G HA3 0.169 4.132 3.960 0.004 0.000 0.273 79 G C -0.180 174.814 174.900 0.157 0.000 1.215 79 G CA -0.603 44.576 45.100 0.133 0.000 0.910 79 G HN 0.554 nan 8.290 nan 0.000 0.467 80 R N 2.717 123.299 120.500 0.136 0.000 2.316 80 R HA 0.353 4.695 4.340 0.004 0.000 0.314 80 R C -0.365 176.023 176.300 0.146 0.000 1.069 80 R CA -0.209 55.976 56.100 0.142 0.000 0.959 80 R CB 0.578 30.947 30.300 0.114 0.000 0.987 80 R HN 0.283 nan 8.270 nan 0.000 0.446 84 Y N 1.873 122.247 120.300 0.124 0.000 2.354 84 Y HA 0.544 5.096 4.550 0.004 0.000 0.322 84 Y C -1.756 174.289 175.900 0.241 0.000 1.253 84 Y CA -2.347 55.846 58.100 0.156 0.000 1.272 84 Y CB 0.891 39.338 38.460 -0.022 0.000 1.255 84 Y HN 0.551 nan 8.280 nan 0.000 0.500 85 P HA -0.033 nan 4.420 nan 0.000 0.269 85 P C 0.778 178.259 177.300 0.302 0.000 1.209 85 P CA 0.092 63.397 63.100 0.340 0.000 0.776 85 P CB 1.042 32.923 31.700 0.302 0.000 0.876 86 V N 0.127 120.159 119.914 0.198 0.000 2.970 86 V HA -0.048 4.075 4.120 0.004 0.000 0.260 86 V C 0.959 177.064 176.094 0.018 0.000 1.100 86 V CA 0.953 63.316 62.300 0.105 0.000 1.122 86 V CB -1.010 30.858 31.823 0.075 0.000 0.721 86 V HN 0.258 nan 8.190 nan 0.000 0.483 87 L N 3.292 124.508 121.223 -0.011 0.000 2.261 87 L HA 0.600 4.942 4.340 0.004 0.000 0.289 87 L C -2.593 174.082 176.870 -0.325 0.000 1.059 87 L CA -2.372 52.376 54.840 -0.154 0.000 0.816 87 L CB 0.902 42.871 42.059 -0.150 0.000 1.191 87 L HN 0.084 nan 8.230 nan 0.000 0.431 88 P HA 0.296 nan 4.420 nan 0.000 0.286 88 P C -0.294 176.377 177.300 -1.047 0.000 1.321 88 P CA -0.334 61.944 63.100 -1.371 0.000 0.790 88 P CB 0.740 31.638 31.700 -1.336 0.000 0.897 89 R N 2.471 122.463 120.500 -0.847 0.000 2.254 89 R HA 0.049 4.391 4.340 0.004 0.000 0.195 89 R C 1.267 177.428 176.300 -0.232 0.000 0.957 89 R CA 0.733 56.620 56.100 -0.355 0.000 1.024 89 R CB -0.496 29.788 30.300 -0.027 0.000 0.952 89 R HN 0.640 nan 8.270 nan 0.000 0.484 90 W N 2.250 123.309 121.300 -0.401 0.000 3.139 90 W HA 0.170 4.833 4.660 0.004 0.000 0.260 90 W C 0.339 176.833 176.519 -0.043 0.000 1.312 90 W CA -0.567 56.578 57.345 -0.334 0.000 1.606 90 W CB 0.178 29.489 29.460 -0.248 0.000 1.118 90 W HN -0.178 nan 8.180 nan 0.000 0.675 91 R N 1.072 121.295 120.500 -0.462 0.000 2.668 91 R HA 0.262 4.605 4.340 0.004 0.000 0.272 91 R C -0.743 175.388 176.300 -0.283 0.000 1.019 91 R CA -0.268 55.677 56.100 -0.258 0.000 0.894 91 R CB 1.125 31.224 30.300 -0.335 0.000 1.228 91 R HN -0.016 nan 8.270 nan 0.000 0.460 92 D N -0.077 120.238 120.400 -0.141 0.000 2.440 92 D HA -0.027 4.616 4.640 0.004 0.000 0.216 92 D C 0.181 176.414 176.300 -0.112 0.000 1.150 92 D CA -0.102 53.832 54.000 -0.111 0.000 0.832 92 D CB 0.322 41.106 40.800 -0.026 0.000 0.992 92 D HN 0.662 nan 8.370 nan 0.000 0.502 93 D N 0.207 120.523 120.400 -0.140 0.000 2.392 93 D HA -0.012 4.631 4.640 0.004 0.000 0.206 93 D C 0.778 177.009 176.300 -0.115 0.000 1.046 93 D CA 0.062 53.994 54.000 -0.112 0.000 0.865 93 D CB 0.239 40.975 40.800 -0.106 0.000 0.969 93 D HN 0.196 nan 8.370 nan 0.000 0.509 94 V N -1.866 117.957 119.914 -0.151 0.000 2.864 94 V HA 0.421 4.544 4.120 0.004 0.000 0.314 94 V C 1.363 177.363 176.094 -0.156 0.000 1.073 94 V CA -1.017 61.203 62.300 -0.133 0.000 0.956 94 V CB 2.165 33.917 31.823 -0.117 0.000 1.023 94 V HN -0.111 nan 8.190 nan 0.000 0.435 95 L N 1.536 122.689 121.223 -0.117 0.000 2.095 95 L HA 0.307 4.650 4.340 0.004 0.000 0.204 95 L C 0.318 177.116 176.870 -0.120 0.000 1.080 95 L CA 1.261 56.031 54.840 -0.117 0.000 0.759 95 L CB -0.050 41.953 42.059 -0.094 0.000 0.914 95 L HN 0.515 nan 8.230 nan 0.000 0.439 96 L N -1.455 119.718 121.223 -0.084 0.000 2.424 96 L HA 0.370 4.712 4.340 0.004 0.000 0.258 96 L C -0.738 176.100 176.870 -0.054 0.000 0.995 96 L CA -0.879 53.925 54.840 -0.060 0.000 0.821 96 L CB 2.738 44.811 42.059 0.023 0.000 1.383 96 L HN -0.398 nan 8.230 nan 0.000 0.410 97 V N 1.562 121.449 119.914 -0.045 0.000 2.450 97 V HA 0.084 4.206 4.120 0.004 0.000 0.281 97 V C 1.084 177.164 176.094 -0.024 0.000 1.019 97 V CA 0.945 63.237 62.300 -0.013 0.000 1.062 97 V CB 0.744 32.595 31.823 0.047 0.000 0.979 97 V HN 1.030 nan 8.190 nan 0.000 0.477 98 G N 3.391 112.192 108.800 0.002 0.000 3.044 98 G HA2 0.586 4.549 3.960 0.004 0.000 0.223 98 G HA3 0.586 4.549 3.960 0.004 0.000 0.223 98 G C 0.277 175.199 174.900 0.037 0.000 1.123 98 G CA 0.710 45.830 45.100 0.032 0.000 0.765 98 G HN 1.013 nan 8.290 nan 0.000 0.546 99 A N -0.368 122.460 122.820 0.012 0.000 2.612 99 A HA 0.600 4.923 4.320 0.004 0.000 0.293 99 A C 1.168 178.760 177.584 0.012 0.000 1.075 99 A CA 0.525 52.583 52.037 0.036 0.000 0.680 99 A CB 0.397 19.459 19.000 0.104 0.000 1.279 99 A HN 0.589 nan 8.150 nan 0.000 0.411 100 S N 0.632 116.368 115.700 0.061 0.000 2.383 100 S HA -0.180 4.293 4.470 0.004 0.000 0.229 100 S C 1.657 176.300 174.600 0.072 0.000 1.030 100 S CA 1.893 60.163 58.200 0.116 0.000 1.002 100 S CB -0.501 62.880 63.200 0.302 0.000 0.829 100 S HN 1.192 nan 8.310 nan 0.000 0.467 101 I N 2.008 122.634 120.570 0.094 0.000 2.454 101 I HA -0.015 4.158 4.170 0.004 0.000 0.254 101 I C 2.239 178.338 176.117 -0.031 0.000 1.156 101 I CA 1.000 62.293 61.300 -0.012 0.000 1.433 101 I CB -0.591 37.406 38.000 -0.006 0.000 1.082 101 I HN 0.335 nan 8.210 nan 0.000 0.432 102 M N -0.505 119.067 119.600 -0.046 0.000 2.358 102 M HA -0.177 4.306 4.480 0.004 0.000 0.264 102 M C 1.359 177.645 176.300 -0.023 0.000 1.064 102 M CA 1.170 56.471 55.300 0.001 0.000 1.093 102 M CB -0.637 31.986 32.600 0.038 0.000 1.401 102 M HN 0.145 nan 8.290 nan 0.000 0.440 103 D N 0.368 120.451 120.400 -0.529 0.000 2.218 103 D HA -0.113 4.529 4.640 0.004 0.000 0.204 103 D C 0.956 176.395 176.300 -1.435 0.000 0.976 103 D CA 1.356 54.506 54.000 -1.417 0.000 0.853 103 D CB -0.097 39.147 40.800 -2.594 0.000 0.939 103 D HN 0.382 nan 8.370 nan 0.000 0.481 104 F N 0.028 119.818 119.950 -0.267 0.000 2.683 104 F HA 0.325 4.855 4.527 0.004 0.000 0.306 104 F C 0.494 176.257 175.800 -0.062 0.000 1.102 104 F CA -0.476 57.410 58.000 -0.190 0.000 1.244 104 F CB 0.012 38.918 39.000 -0.157 0.000 1.029 104 F HN -0.311 nan 8.300 nan 0.000 0.545 105 Q N 1.952 121.798 119.800 0.076 0.000 2.306 105 Q HA 0.309 4.652 4.340 0.004 0.000 0.265 105 Q C -1.843 174.112 176.000 -0.075 0.000 1.022 105 Q CA -2.036 53.778 55.803 0.017 0.000 0.853 105 Q CB 2.207 30.956 28.738 0.019 0.000 1.327 105 Q HN -0.164 nan 8.270 nan 0.000 0.449 106 P HA -0.083 nan 4.420 nan 0.000 0.235 106 P C 0.149 177.292 177.300 -0.262 0.000 1.177 106 P CA 0.753 63.590 63.100 -0.438 0.000 0.785 106 P CB 0.193 31.466 31.700 -0.713 0.000 0.885 107 W N 0.145 121.516 121.300 0.119 0.000 2.381 107 W HA -0.093 4.570 4.660 0.004 0.000 0.301 107 W C 2.292 178.858 176.519 0.079 0.000 1.205 107 W CA 0.115 57.523 57.345 0.104 0.000 1.285 107 W CB -1.578 27.957 29.460 0.124 0.000 1.133 107 W HN -0.279 nan 8.180 nan 0.000 0.521 108 V N 1.184 121.233 119.914 0.226 0.000 2.295 108 V HA -0.314 3.809 4.120 0.004 0.000 0.246 108 V C 2.025 178.159 176.094 0.067 0.000 1.049 108 V CA 1.764 64.092 62.300 0.046 0.000 1.024 108 V CB -0.877 30.822 31.823 -0.206 0.000 0.648 108 V HN 0.190 nan 8.190 nan 0.000 0.447 109 I N 1.123 121.738 120.570 0.075 0.000 2.208 109 I HA -0.230 3.943 4.170 0.004 0.000 0.245 109 I C 2.549 178.776 176.117 0.183 0.000 1.097 109 I CA 2.014 63.393 61.300 0.131 0.000 1.363 109 I CB -0.504 37.574 38.000 0.130 0.000 1.051 109 I HN 0.508 nan 8.210 nan 0.000 0.413 110 S N 0.315 116.115 115.700 0.167 0.000 2.522 110 S HA 0.081 4.553 4.470 0.004 0.000 0.227 110 S C 1.711 176.436 174.600 0.210 0.000 0.986 110 S CA 0.565 58.870 58.200 0.175 0.000 0.929 110 S CB 0.142 63.432 63.200 0.150 0.000 0.769 110 S HN 0.650 nan 8.310 nan 0.000 0.529 111 G N 0.847 109.792 108.800 0.241 0.000 2.159 111 G HA2 -0.280 3.683 3.960 0.004 0.000 0.256 111 G HA3 -0.280 3.683 3.960 0.004 0.000 0.256 111 G C 0.473 175.421 174.900 0.080 0.000 0.977 111 G CA 0.452 45.620 45.100 0.112 0.000 0.652 111 G HN 0.575 nan 8.290 nan 0.000 0.531 112 E N -0.102 120.212 120.200 0.190 0.000 2.216 112 E HA 0.407 4.759 4.350 0.004 0.000 0.192 112 E C 1.546 178.231 176.600 0.142 0.000 0.988 112 E CA 0.830 57.343 56.400 0.188 0.000 0.834 112 E CB 0.154 30.050 29.700 0.326 0.000 0.772 112 E HN 0.815 nan 8.360 nan 0.000 0.479 113 A N 0.950 123.882 122.820 0.187 0.000 2.356 113 A HA 0.342 4.664 4.320 0.004 0.000 0.323 113 A C -0.994 176.628 177.584 0.063 0.000 1.119 113 A CA -0.869 51.249 52.037 0.136 0.000 0.790 113 A CB 1.009 20.142 19.000 0.222 0.000 1.273 113 A HN -0.108 nan 8.150 nan 0.000 0.452 114 D N 2.073 122.487 120.400 0.024 0.000 2.264 114 D HA 0.453 5.095 4.640 0.004 0.000 0.249 114 D C -2.318 173.976 176.300 -0.010 0.000 1.070 114 D CA -0.873 53.114 54.000 -0.021 0.000 0.912 114 D CB 0.826 41.610 40.800 -0.027 0.000 1.193 114 D HN 0.273 nan 8.370 nan 0.000 0.427 115 P HA 0.139 nan 4.420 nan 0.000 0.272 115 P C -1.991 175.313 177.300 0.006 0.000 1.223 115 P CA -1.066 61.950 63.100 -0.140 0.000 0.784 115 P CB 0.144 31.678 31.700 -0.276 0.000 0.923 116 P HA 0.051 nan 4.420 nan 0.000 0.221 116 P C 0.087 177.436 177.300 0.083 0.000 1.150 116 P CA 1.315 64.480 63.100 0.108 0.000 0.800 116 P CB 0.210 32.033 31.700 0.206 0.000 0.787 117 A N -1.227 121.640 122.820 0.079 0.000 2.609 117 A HA 0.709 5.032 4.320 0.004 0.000 0.291 117 A C -1.506 176.130 177.584 0.087 0.000 1.096 117 A CA -0.410 51.673 52.037 0.077 0.000 0.684 117 A CB 1.082 20.136 19.000 0.090 0.000 1.282 117 A HN -0.084 nan 8.150 nan 0.000 0.412 118 N N 0.901 119.646 118.700 0.075 0.000 2.699 118 N HA 0.486 5.228 4.740 0.004 0.000 0.271 118 N C -3.084 172.425 175.510 -0.001 0.000 1.216 118 N CA -0.747 52.349 53.050 0.077 0.000 0.844 118 N CB 2.126 40.702 38.487 0.148 0.000 1.462 118 N HN 0.527 nan 8.380 nan 0.000 0.555 119 P HA 0.426 nan 4.420 nan 0.000 0.276 119 P C -0.872 176.407 177.300 -0.036 0.000 1.252 119 P CA -0.591 62.399 63.100 -0.183 0.000 0.802 119 P CB 1.061 32.484 31.700 -0.461 0.000 1.035 120 L N -0.696 120.597 121.223 0.117 0.000 2.333 120 L HA 0.867 5.210 4.340 0.004 0.000 0.263 120 L C -0.868 176.163 176.870 0.269 0.000 1.014 120 L CA -1.152 53.806 54.840 0.198 0.000 0.820 120 L CB 1.515 43.649 42.059 0.125 0.000 1.352 120 L HN 0.195 nan 8.230 nan 0.000 0.421 121 V N 2.709 122.752 119.914 0.215 0.000 2.789 121 V HA 0.778 4.900 4.120 0.004 0.000 0.311 121 V C -1.096 175.117 176.094 0.197 0.000 1.073 121 V CA -0.412 61.963 62.300 0.126 0.000 0.921 121 V CB 1.859 33.692 31.823 0.015 0.000 1.009 121 V HN 0.927 nan 8.190 nan 0.000 0.426 122 I N 3.953 124.648 120.570 0.207 0.000 2.908 122 I HA 0.522 4.694 4.170 0.004 0.000 0.300 122 I C -1.087 175.110 176.117 0.133 0.000 1.385 122 I CA -0.177 61.256 61.300 0.222 0.000 1.004 122 I CB 2.497 40.696 38.000 0.331 0.000 1.309 122 I HN 0.614 nan 8.210 nan 0.000 0.449 123 S N 4.501 120.271 115.700 0.116 0.000 2.594 123 S HA 0.428 4.901 4.470 0.004 0.000 0.322 123 S C -0.914 173.737 174.600 0.085 0.000 1.085 123 S CA -0.380 57.843 58.200 0.039 0.000 1.116 123 S CB 0.640 63.863 63.200 0.038 0.000 0.979 123 S HN 0.530 nan 8.310 nan 0.000 0.465 124 Q N 5.699 125.515 119.800 0.026 0.000 2.398 124 Q HA 0.479 4.822 4.340 0.004 0.000 0.251 124 Q C -2.697 173.223 176.000 -0.133 0.000 0.999 124 Q CA -2.241 53.569 55.803 0.011 0.000 0.874 124 Q CB 1.138 29.879 28.738 0.006 0.000 1.215 124 Q HN 0.302 nan 8.270 nan 0.000 0.470 125 P HA 0.026 nan 4.420 nan 0.000 0.261 125 P C -1.144 175.923 177.300 -0.388 0.000 1.183 125 P CA 0.448 63.319 63.100 -0.382 0.000 0.761 125 P CB 0.772 32.203 31.700 -0.449 0.000 0.785 126 S N 2.892 118.224 115.700 -0.613 0.000 2.536 126 S HA 0.633 5.105 4.470 0.004 0.000 0.287 126 S C -0.378 173.951 174.600 -0.452 0.000 1.101 126 S CA -0.550 57.312 58.200 -0.564 0.000 0.950 126 S CB 1.093 63.779 63.200 -0.856 0.000 1.056 126 S HN 0.237 nan 8.310 nan 0.000 0.481 127 I N 2.380 122.850 120.570 -0.166 0.000 2.465 127 I HA 0.527 4.699 4.170 0.004 0.000 0.291 127 I C -0.387 175.790 176.117 0.099 0.000 1.014 127 I CA -0.547 60.735 61.300 -0.030 0.000 1.093 127 I CB 1.771 39.773 38.000 0.004 0.000 1.267 127 I HN 0.360 nan 8.210 nan 0.000 0.431 128 R N 4.796 125.365 120.500 0.116 0.000 2.574 128 R HA 0.405 4.748 4.340 0.004 0.000 0.288 128 R C -0.638 175.679 176.300 0.028 0.000 1.004 128 R CA -0.568 55.631 56.100 0.165 0.000 0.895 128 R CB 1.901 32.341 30.300 0.233 0.000 1.191 128 R HN 0.502 nan 8.270 nan 0.000 0.444 129 F N 0.200 120.188 119.950 0.064 0.000 2.749 129 F HA -0.002 4.527 4.527 0.004 0.000 0.300 129 F C 2.265 178.090 175.800 0.042 0.000 1.103 129 F CA 0.500 58.524 58.000 0.040 0.000 1.342 129 F CB 0.587 39.600 39.000 0.022 0.000 1.098 129 F HN 0.576 nan 8.300 nan 0.000 0.586 130 T N -3.334 111.328 114.554 0.181 0.000 2.881 130 T HA -0.156 4.197 4.350 0.004 0.000 0.270 130 T C 1.130 175.865 174.700 0.058 0.000 1.068 130 T CA 1.441 63.609 62.100 0.114 0.000 1.131 130 T CB -0.165 68.761 68.868 0.096 0.000 0.871 130 T HN 0.062 nan 8.240 nan 0.000 0.479 131 D N 0.126 120.542 120.400 0.027 0.000 2.463 131 D HA 0.339 4.982 4.640 0.004 0.000 0.224 131 D C 1.454 177.732 176.300 -0.036 0.000 1.174 131 D CA -0.201 53.753 54.000 -0.076 0.000 0.829 131 D CB 0.122 40.811 40.800 -0.185 0.000 0.993 131 D HN 0.380 nan 8.370 nan 0.000 0.497 132 I N 0.763 121.352 120.570 0.032 0.000 2.264 132 I HA -0.254 3.919 4.170 0.004 0.000 0.248 132 I C 1.223 177.404 176.117 0.107 0.000 1.111 132 I CA 1.408 62.740 61.300 0.053 0.000 1.382 132 I CB 0.328 38.367 38.000 0.065 0.000 1.060 132 I HN -0.117 nan 8.210 nan 0.000 0.418 133 D N 0.330 120.803 120.400 0.122 0.000 2.310 133 D HA -0.153 4.490 4.640 0.004 0.000 0.212 133 D C 1.430 177.774 176.300 0.073 0.000 0.965 133 D CA 1.061 55.147 54.000 0.143 0.000 0.879 133 D CB -0.392 40.507 40.800 0.165 0.000 0.921 133 D HN 0.588 nan 8.370 nan 0.000 0.510 134 N N -0.001 118.703 118.700 0.006 0.000 2.446 134 N HA -0.019 4.724 4.740 0.004 0.000 0.179 134 N C 0.149 175.710 175.510 0.084 0.000 1.054 134 N CA -0.146 52.897 53.050 -0.012 0.000 0.905 134 N CB 0.696 38.994 38.487 -0.315 0.000 0.973 134 N HN -0.113 nan 8.380 nan 0.000 0.448 135 V N 1.018 120.972 119.914 0.067 0.000 2.485 135 V HA 0.158 4.281 4.120 0.004 0.000 0.287 135 V C 1.329 177.363 176.094 -0.100 0.000 1.022 135 V CA 0.862 63.179 62.300 0.028 0.000 1.067 135 V CB 0.192 32.047 31.823 0.053 0.000 0.967 135 V HN 0.560 nan 8.190 nan 0.000 0.479 136 G N 4.294 112.989 108.800 -0.175 0.000 2.241 136 G HA2 -0.256 3.706 3.960 0.004 0.000 0.244 136 G HA3 -0.256 3.706 3.960 0.004 0.000 0.244 136 G C 0.619 175.587 174.900 0.114 0.000 0.998 136 G CA 0.466 45.472 45.100 -0.157 0.000 0.621 136 G HN 0.607 nan 8.290 nan 0.000 0.519 137 I N 1.043 121.681 120.570 0.112 0.000 3.339 137 I HA 0.094 4.266 4.170 0.004 0.000 0.285 137 I C 2.567 178.768 176.117 0.140 0.000 1.201 137 I CA 1.722 63.086 61.300 0.107 0.000 1.434 137 I CB 0.255 38.293 38.000 0.064 0.000 1.152 137 I HN 0.340 nan 8.210 nan 0.000 0.443 138 T N -2.886 111.780 114.554 0.187 0.000 3.022 138 T HA 0.299 4.651 4.350 0.004 0.000 0.250 138 T C 1.597 176.356 174.700 0.099 0.000 1.060 138 T CA 0.583 62.796 62.100 0.188 0.000 1.013 138 T CB 0.828 69.892 68.868 0.327 0.000 0.982 138 T HN 0.420 nan 8.240 nan 0.000 0.508 139 G N 2.898 111.715 108.800 0.029 0.000 2.205 139 G HA2 -0.357 3.606 3.960 0.004 0.000 0.261 139 G HA3 -0.357 3.606 3.960 0.004 0.000 0.261 139 G C 0.967 175.278 174.900 -0.982 0.000 0.980 139 G CA 0.587 45.486 45.100 -0.335 0.000 0.632 139 G HN 0.858 nan 8.290 nan 0.000 0.533 140 R N -0.815 119.280 120.500 -0.676 0.000 2.556 140 R HA 0.345 4.687 4.340 0.004 0.000 0.276 140 R C 0.274 176.178 176.300 -0.660 0.000 0.931 140 R CA -0.018 55.626 56.100 -0.760 0.000 1.061 140 R CB 0.180 30.317 30.300 -0.272 0.000 1.432 140 R HN 0.416 nan 8.270 nan 0.000 0.547 141 H N 0.283 119.167 119.070 -0.310 0.000 2.502 141 H HA 0.390 4.949 4.556 0.005 0.000 0.327 141 H C -1.198 173.976 175.328 -0.255 0.000 1.099 141 H CA 0.062 56.022 56.048 -0.146 0.000 1.323 141 H CB 0.913 30.667 29.762 -0.012 0.000 1.450 141 H HN -0.044 nan 8.280 nan 0.000 0.502 142 F N -0.247 119.809 119.950 0.177 0.000 2.561 142 F HA 0.188 4.717 4.527 0.004 0.000 0.321 142 F C 1.458 177.329 175.800 0.118 0.000 1.065 142 F CA -0.689 57.414 58.000 0.172 0.000 0.934 142 F CB 2.004 41.094 39.000 0.149 0.000 1.215 142 F HN 0.599 nan 8.300 nan 0.000 0.471 143 T N -1.136 113.557 114.554 0.231 0.000 3.009 143 T HA 0.153 4.505 4.350 0.004 0.000 0.258 143 T C 0.256 174.985 174.700 0.050 0.000 1.063 143 T CA 0.627 62.712 62.100 -0.024 0.000 1.139 143 T CB 0.034 68.682 68.868 -0.366 0.000 0.890 143 T HN 0.300 nan 8.240 nan 0.000 0.471 144 I N 2.097 122.745 120.570 0.129 0.000 2.406 144 I HA 0.662 4.835 4.170 0.004 0.000 0.290 144 I C -1.387 174.770 176.117 0.067 0.000 0.999 144 I CA -2.270 59.025 61.300 -0.010 0.000 1.124 144 I CB 1.175 39.079 38.000 -0.160 0.000 1.289 144 I HN 0.357 nan 8.210 nan 0.000 0.441 145 F N 4.080 123.900 119.950 -0.217 0.000 2.685 145 F HA 0.694 5.223 4.527 0.004 0.000 0.315 145 F C -1.217 174.445 175.800 -0.230 0.000 1.126 145 F CA -0.973 56.863 58.000 -0.274 0.000 0.950 145 F CB 1.062 39.932 39.000 -0.217 0.000 1.360 145 F HN 0.395 nan 8.300 nan 0.000 0.469 146 E N 2.189 122.299 120.200 -0.151 0.000 2.133 146 E HA 0.338 4.691 4.350 0.004 0.000 0.274 146 E C -1.179 175.383 176.600 -0.062 0.000 0.930 146 E CA -0.789 55.494 56.400 -0.196 0.000 0.770 146 E CB 1.871 31.532 29.700 -0.065 0.000 1.104 146 E HN 0.709 nan 8.360 nan 0.000 0.403 147 M N 5.470 124.967 119.600 -0.171 0.000 2.069 147 M HA 0.308 4.790 4.480 0.004 0.000 0.349 147 M C -1.069 175.177 176.300 -0.090 0.000 1.194 147 M CA -0.283 55.010 55.300 -0.011 0.000 1.081 147 M CB 0.302 32.918 32.600 0.027 0.000 1.500 147 M HN 0.459 nan 8.290 nan 0.000 0.438 148 M N 4.178 123.646 119.600 -0.220 0.000 2.235 148 M HA 0.645 5.128 4.480 0.004 0.000 0.351 148 M C -0.306 175.758 176.300 -0.394 0.000 1.178 148 M CA -0.311 54.670 55.300 -0.530 0.000 1.143 148 M CB 1.243 33.058 32.600 -1.308 0.000 1.530 148 M HN 0.750 nan 8.290 nan 0.000 0.461 149 A N 1.621 124.326 122.820 -0.193 0.000 2.574 149 A HA 0.659 4.982 4.320 0.004 0.000 0.297 149 A C -1.575 175.893 177.584 -0.192 0.000 1.062 149 A CA -0.939 51.011 52.037 -0.143 0.000 0.686 149 A CB 0.939 19.730 19.000 -0.348 0.000 1.285 149 A HN 0.988 nan 8.150 nan 0.000 0.403 150 H N 0.280 119.042 119.070 -0.514 0.000 2.459 150 H HA 0.844 5.403 4.556 0.004 0.000 0.332 150 H C -0.820 174.216 175.328 -0.487 0.000 1.094 150 H CA -0.619 55.091 56.048 -0.563 0.000 1.224 150 H CB 1.034 30.184 29.762 -1.019 0.000 1.449 150 H HN 0.577 nan 8.280 nan 0.000 0.484 151 H N 1.855 120.832 119.070 -0.154 0.000 2.637 151 H HA 0.681 5.240 4.556 0.005 0.000 0.363 151 H C -0.951 174.020 175.328 -0.596 0.000 1.131 151 H CA -0.726 55.040 56.048 -0.469 0.000 1.183 151 H CB 2.159 31.564 29.762 -0.597 0.000 1.637 151 H HN 0.910 nan 8.280 nan 0.000 0.531 152 A N 3.010 125.394 122.820 -0.727 0.000 2.393 152 A HA 0.630 4.953 4.320 0.004 0.000 0.306 152 A C -1.551 175.524 177.584 -0.847 0.000 1.050 152 A CA -0.651 50.930 52.037 -0.761 0.000 0.724 152 A CB 0.737 19.112 19.000 -1.041 0.000 1.248 152 A HN 0.459 nan 8.150 nan 0.000 0.424 153 F N 2.399 122.162 119.950 -0.313 0.000 2.382 153 F HA 0.326 4.856 4.527 0.005 0.000 0.361 153 F C 0.384 175.880 175.800 -0.507 0.000 1.109 153 F CA -0.707 57.029 58.000 -0.439 0.000 1.031 153 F CB 1.613 40.295 39.000 -0.530 0.000 1.234 153 F HN 0.519 nan 8.300 nan 0.000 0.445 154 N N 4.302 122.823 118.700 -0.298 0.000 2.719 154 N HA 0.085 4.827 4.740 0.004 0.000 0.243 154 N C -0.720 174.649 175.510 -0.236 0.000 1.104 154 N CA -0.220 52.692 53.050 -0.230 0.000 0.981 154 N CB 0.315 38.667 38.487 -0.225 0.000 1.290 154 N HN 0.440 nan 8.380 nan 0.000 0.513 155 Y N 1.134 121.437 120.300 0.004 0.000 2.426 155 Y HA 0.135 4.688 4.550 0.005 0.000 0.344 155 Y C -1.396 174.487 175.900 -0.029 0.000 1.256 155 Y CA -1.605 56.494 58.100 -0.002 0.000 1.451 155 Y CB -0.453 38.014 38.460 0.011 0.000 1.342 155 Y HN 0.342 nan 8.280 nan 0.000 0.600 156 P HA 0.083 nan 4.420 nan 0.000 0.260 156 P C 0.265 177.591 177.300 0.044 0.000 1.172 156 P CA 1.308 64.438 63.100 0.049 0.000 0.760 156 P CB -0.000 31.728 31.700 0.048 0.000 0.773 160 I N 0.689 121.263 120.570 0.007 0.000 3.904 160 I HA 0.191 4.364 4.170 0.004 0.000 0.235 160 I C 0.622 176.805 176.117 0.111 0.000 1.062 160 I CA 0.929 62.237 61.300 0.014 0.000 1.574 160 I CB -0.736 37.180 38.000 -0.139 0.000 1.503 160 I HN 0.642 nan 8.210 nan 0.000 0.463 161 Y N -2.296 118.003 120.300 -0.001 0.000 2.750 161 Y HA 0.514 5.067 4.550 0.006 0.000 0.335 161 Y C -0.833 175.165 175.900 0.164 0.000 1.252 161 Y CA -1.848 56.239 58.100 -0.021 0.000 1.064 161 Y CB 1.072 39.344 38.460 -0.313 0.000 1.321 161 Y HN 0.241 nan 8.280 nan 0.000 0.451 162 W N 1.823 123.224 121.300 0.168 0.000 4.081 162 W HA 0.242 4.904 4.660 0.004 0.000 0.400 162 W C 0.966 177.501 176.519 0.028 0.000 1.330 162 W CA -0.587 56.791 57.345 0.056 0.000 1.065 162 W CB 1.470 30.891 29.460 -0.064 0.000 1.781 162 W HN 0.783 nan 8.180 nan 0.000 0.633 163 M N 1.479 120.570 119.600 -0.849 0.000 2.065 163 M HA -0.220 4.262 4.480 0.004 0.000 0.259 163 M C 1.400 177.398 176.300 -0.504 0.000 1.069 163 M CA 2.586 57.217 55.300 -1.114 0.000 1.110 163 M CB -0.679 31.073 32.600 -1.413 0.000 1.328 163 M HN 0.196 nan 8.290 nan 0.000 0.405 164 D N 0.264 120.449 120.400 -0.358 0.000 2.106 164 D HA -0.200 4.443 4.640 0.004 0.000 0.191 164 D C 1.853 177.974 176.300 -0.298 0.000 0.997 164 D CA 1.871 55.669 54.000 -0.337 0.000 0.834 164 D CB -0.476 40.199 40.800 -0.208 0.000 0.956 164 D HN 0.471 nan 8.370 nan 0.000 0.448 165 E N -0.207 119.852 120.200 -0.235 0.000 2.152 165 E HA -0.057 4.296 4.350 0.004 0.000 0.192 165 E C 2.120 178.515 176.600 -0.343 0.000 0.983 165 E CA 0.885 57.065 56.400 -0.367 0.000 0.818 165 E CB -0.308 28.975 29.700 -0.695 0.000 0.758 165 E HN 0.188 nan 8.360 nan 0.000 0.467 166 T N 0.496 114.978 114.554 -0.119 0.000 2.737 166 T HA -0.141 4.212 4.350 0.004 0.000 0.265 166 T C 2.150 176.919 174.700 0.115 0.000 1.038 166 T CA 1.557 63.742 62.100 0.142 0.000 1.144 166 T CB -0.387 68.722 68.868 0.402 0.000 0.866 166 T HN 0.241 nan 8.240 nan 0.000 0.434 167 V N 0.702 120.563 119.914 -0.088 0.000 2.427 167 V HA -0.127 3.995 4.120 0.004 0.000 0.248 167 V C 2.089 178.092 176.094 -0.151 0.000 1.051 167 V CA 1.584 63.727 62.300 -0.262 0.000 1.048 167 V CB -0.885 30.334 31.823 -1.006 0.000 0.666 167 V HN 0.430 nan 8.190 nan 0.000 0.456 168 E N 0.742 120.832 120.200 -0.184 0.000 2.051 168 E HA -0.126 4.226 4.350 0.004 0.000 0.192 168 E C 2.243 178.895 176.600 0.088 0.000 0.991 168 E CA 1.812 58.184 56.400 -0.047 0.000 0.799 168 E CB -0.334 29.310 29.700 -0.094 0.000 0.748 168 E HN 0.600 nan 8.360 nan 0.000 0.449 169 L N 0.633 121.858 121.223 0.003 0.000 2.046 169 L HA -0.202 4.140 4.340 0.004 0.000 0.208 169 L C 2.591 179.537 176.870 0.126 0.000 1.077 169 L CA 1.084 55.932 54.840 0.013 0.000 0.747 169 L CB -0.497 41.467 42.059 -0.159 0.000 0.896 169 L HN 0.151 nan 8.230 nan 0.000 0.432 170 A N -0.121 122.846 122.820 0.246 0.000 1.865 170 A HA -0.288 4.035 4.320 0.004 0.000 0.217 170 A C 2.201 179.910 177.584 0.209 0.000 1.191 170 A CA 1.796 54.002 52.037 0.282 0.000 0.623 170 A CB -0.973 18.316 19.000 0.482 0.000 0.826 170 A HN 0.385 nan 8.150 nan 0.000 0.444 171 F N 0.685 120.801 119.950 0.277 0.000 2.126 171 F HA -0.161 4.368 4.527 0.003 0.000 0.299 171 F C 2.244 178.134 175.800 0.151 0.000 1.096 171 F CA 2.165 60.367 58.000 0.335 0.000 1.255 171 F CB -0.242 38.971 39.000 0.355 0.000 0.997 171 F HN 0.459 nan 8.300 nan 0.000 0.479 172 E N -0.688 119.579 120.200 0.112 0.000 2.077 172 E HA -0.276 4.077 4.350 0.004 0.000 0.193 172 E C 2.291 178.659 176.600 -0.386 0.000 0.989 172 E CA 1.410 57.784 56.400 -0.044 0.000 0.800 172 E CB -0.524 29.303 29.700 0.211 0.000 0.746 172 E HN 0.447 nan 8.360 nan 0.000 0.452 173 F N 0.464 119.937 119.950 -0.794 0.000 2.102 173 F HA -0.202 4.328 4.527 0.005 0.000 0.298 173 F C 1.703 177.094 175.800 -0.682 0.000 1.105 173 F CA 1.393 58.643 58.000 -1.251 0.000 1.239 173 F CB -0.366 37.852 39.000 -1.304 0.000 0.991 173 F HN 0.025 nan 8.300 nan 0.000 0.474 174 F N 0.656 120.318 119.950 -0.481 0.000 2.186 174 F HA -0.112 4.416 4.527 0.003 0.000 0.299 174 F C 2.796 178.238 175.800 -0.598 0.000 1.090 174 F CA 1.702 59.367 58.000 -0.558 0.000 1.307 174 F CB -1.576 37.231 39.000 -0.321 0.000 1.019 174 F HN 0.141 nan 8.300 nan 0.000 0.489 175 T N -3.008 111.295 114.554 -0.419 0.000 2.983 175 T HA 0.019 4.372 4.350 0.004 0.000 0.250 175 T C 1.881 176.387 174.700 -0.324 0.000 1.037 175 T CA 0.383 62.229 62.100 -0.422 0.000 1.142 175 T CB -0.071 68.415 68.868 -0.638 0.000 0.876 175 T HN 0.016 nan 8.240 nan 0.000 0.455 176 K N 0.914 121.116 120.400 -0.330 0.000 2.067 176 K HA 0.126 4.448 4.320 0.004 0.000 0.203 176 K C 2.351 178.788 176.600 -0.271 0.000 1.048 176 K CA 0.876 57.023 56.287 -0.234 0.000 0.954 176 K CB -0.059 32.350 32.500 -0.151 0.000 0.737 176 K HN 0.360 nan 8.250 nan 0.000 0.444 177 E N 0.825 120.752 120.200 -0.455 0.000 2.060 177 E HA 0.082 4.435 4.350 0.004 0.000 0.189 177 E C 1.481 177.839 176.600 -0.404 0.000 0.974 177 E CA 0.456 56.588 56.400 -0.447 0.000 0.808 177 E CB 0.066 29.367 29.700 -0.664 0.000 0.768 177 E HN 0.166 nan 8.360 nan 0.000 0.453 183 E N 0.751 121.031 120.200 0.134 0.000 2.418 183 E HA -0.073 4.279 4.350 0.004 0.000 0.197 183 E C 0.168 176.821 176.600 0.089 0.000 1.026 183 E CA 0.975 57.401 56.400 0.043 0.000 0.862 183 E CB -0.236 29.461 29.700 -0.005 0.000 0.799 183 E HN 0.414 nan 8.360 nan 0.000 0.518 184 D N 0.839 121.331 120.400 0.154 0.000 2.350 184 D HA 0.172 4.814 4.640 0.004 0.000 0.213 184 D C 0.482 176.915 176.300 0.221 0.000 1.031 184 D CA 0.074 54.145 54.000 0.117 0.000 0.861 184 D CB 0.345 41.143 40.800 -0.003 0.000 0.926 184 D HN 0.239 nan 8.370 nan 0.000 0.520 185 I N 1.476 122.254 120.570 0.346 0.000 2.371 185 I HA 0.109 4.281 4.170 0.004 0.000 0.290 185 I C 0.560 176.911 176.117 0.390 0.000 1.028 185 I CA -0.177 61.328 61.300 0.341 0.000 1.345 185 I CB 1.148 39.402 38.000 0.423 0.000 1.407 185 I HN -0.170 nan 8.210 nan 0.000 0.501 186 T N 2.431 117.112 114.554 0.211 0.000 2.885 186 T HA 0.592 4.945 4.350 0.004 0.000 0.285 186 T C -0.658 174.102 174.700 0.100 0.000 1.019 186 T CA -0.648 61.650 62.100 0.330 0.000 1.010 186 T CB 1.438 70.461 68.868 0.259 0.000 1.022 186 T HN 0.159 nan 8.240 nan 0.000 0.466 187 F N 1.539 121.680 119.950 0.319 0.000 2.325 187 F HA 0.458 4.987 4.527 0.003 0.000 0.369 187 F C 0.679 176.756 175.800 0.461 0.000 1.095 187 F CA -0.923 57.201 58.000 0.207 0.000 1.082 187 F CB 1.499 40.370 39.000 -0.215 0.000 1.289 187 F HN 0.519 nan 8.300 nan 0.000 0.462 188 K N 3.765 124.491 120.400 0.544 0.000 2.258 188 K HA 0.216 4.539 4.320 0.004 0.000 0.284 188 K C -0.106 176.844 176.600 0.584 0.000 1.051 188 K CA -0.379 56.213 56.287 0.509 0.000 0.923 188 K CB 0.637 33.307 32.500 0.283 0.000 1.046 188 K HN 0.591 nan 8.250 nan 0.000 0.474 189 E N 2.854 123.379 120.200 0.542 0.000 2.376 189 E HA -0.045 4.308 4.350 0.004 0.000 0.266 189 E C -0.525 176.213 176.600 0.229 0.000 1.009 189 E CA 0.064 56.685 56.400 0.368 0.000 0.902 189 E CB 0.533 30.433 29.700 0.332 0.000 0.972 189 E HN 0.377 nan 8.360 nan 0.000 0.439 190 N N 3.721 122.509 118.700 0.146 0.000 2.726 190 N HA 0.160 4.902 4.740 0.004 0.000 0.253 190 N C -2.762 172.829 175.510 0.135 0.000 1.530 190 N CA -1.728 51.410 53.050 0.147 0.000 0.772 190 N CB 0.737 39.320 38.487 0.160 0.000 1.220 190 N HN 0.148 nan 8.380 nan 0.000 0.508 191 P HA 0.016 nan 4.420 nan 0.000 0.264 191 P C -0.533 176.898 177.300 0.218 0.000 1.193 191 P CA 0.142 63.348 63.100 0.176 0.000 0.763 191 P CB 0.412 32.325 31.700 0.354 0.000 0.810 192 W N 3.410 124.671 121.300 -0.064 0.000 2.578 192 W HA 0.617 5.280 4.660 0.005 0.000 0.353 192 W C -0.999 175.504 176.519 -0.027 0.000 1.088 192 W CA 0.083 57.401 57.345 -0.046 0.000 1.235 192 W CB 1.886 31.293 29.460 -0.089 0.000 1.362 192 W HN 0.605 nan 8.180 nan 0.000 0.592 193 A N 2.141 124.653 122.820 -0.514 0.000 2.586 193 A HA 0.752 5.075 4.320 0.004 0.000 0.291 193 A C -0.391 176.758 177.584 -0.725 0.000 1.062 193 A CA -0.175 51.583 52.037 -0.465 0.000 0.666 193 A CB 0.669 19.564 19.000 -0.175 0.000 1.281 193 A HN 2.003 nan 8.150 nan 0.000 0.421 194 G N -1.147 107.422 108.800 -0.384 0.000 2.674 194 G HA2 0.574 4.537 3.960 0.004 0.000 0.686 194 G HA3 0.574 4.537 3.960 0.004 0.000 0.686 194 G C 1.186 175.933 174.900 -0.254 0.000 1.195 194 G CA 1.023 45.947 45.100 -0.293 0.000 0.776 194 G HN 2.952 nan 8.290 nan 0.000 0.654 195 G N -0.606 108.137 108.800 -0.095 0.000 2.147 195 G HA2 0.416 4.379 3.960 0.004 0.000 0.244 195 G HA3 0.416 4.379 3.960 0.004 0.000 0.244 195 G C 1.994 176.915 174.900 0.035 0.000 1.005 195 G CA 1.031 46.117 45.100 -0.023 0.000 0.713 195 G HN 3.140 nan 8.290 nan 0.000 0.515 196 G N -1.812 107.019 108.800 0.050 0.000 2.162 196 G HA2 -0.259 3.704 3.960 0.004 0.000 0.260 196 G HA3 -0.259 3.704 3.960 0.004 0.000 0.260 196 G C 0.041 175.093 174.900 0.253 0.000 0.976 196 G CA 0.887 46.043 45.100 0.093 0.000 0.655 196 G HN 1.337 nan 8.290 nan 0.000 0.533 197 N N -0.373 118.503 118.700 0.293 0.000 2.312 197 N HA 0.838 5.580 4.740 0.004 0.000 0.296 197 N C -0.254 175.421 175.510 0.274 0.000 1.193 197 N CA 0.029 53.306 53.050 0.378 0.000 0.773 197 N CB 2.027 40.764 38.487 0.415 0.000 1.435 197 N HN 0.830 nan 8.380 nan 0.000 0.484 198 A N 0.027 122.991 122.820 0.240 0.000 2.609 198 A HA 0.974 5.296 4.320 0.004 0.000 0.291 198 A C -0.776 176.933 177.584 0.207 0.000 1.096 198 A CA -0.243 51.850 52.037 0.093 0.000 0.684 198 A CB 1.505 20.244 19.000 -0.434 0.000 1.282 198 A HN 0.852 nan 8.150 nan 0.000 0.412 199 G N -0.353 108.443 108.800 -0.007 0.000 2.313 199 G HA2 0.570 4.533 3.960 0.004 0.000 0.296 199 G HA3 0.570 4.533 3.960 0.004 0.000 0.296 199 G C -3.567 170.907 174.900 -0.710 0.000 1.356 199 G CA -0.308 44.536 45.100 -0.427 0.000 0.833 199 G HN 0.678 nan 8.290 nan 0.000 0.552 200 P HA 0.540 nan 4.420 nan 0.000 0.274 200 P C -0.337 176.855 177.300 -0.180 0.000 1.237 200 P CA 0.204 63.043 63.100 -0.435 0.000 0.793 200 P CB 1.709 33.213 31.700 -0.327 0.000 0.977 201 A N 1.040 123.739 122.820 -0.202 0.000 2.594 201 A HA 0.735 5.058 4.320 0.004 0.000 0.295 201 A C -1.582 175.842 177.584 -0.266 0.000 1.071 201 A CA -0.556 51.354 52.037 -0.212 0.000 0.685 201 A CB 0.864 19.746 19.000 -0.196 0.000 1.285 201 A HN 0.344 nan 8.150 nan 0.000 0.405 202 F N 0.511 120.549 119.950 0.147 0.000 2.492 202 F HA 0.513 5.043 4.527 0.006 0.000 0.327 202 F C 0.542 176.402 175.800 0.101 0.000 1.079 202 F CA -0.313 57.816 58.000 0.217 0.000 0.967 202 F CB 2.121 41.360 39.000 0.399 0.000 1.169 202 F HN 0.561 nan 8.300 nan 0.000 0.472 203 E N 1.644 122.036 120.200 0.319 0.000 2.174 203 E HA 0.424 4.777 4.350 0.004 0.000 0.282 203 E C -1.186 175.479 176.600 0.108 0.000 0.992 203 E CA -0.745 55.748 56.400 0.155 0.000 0.803 203 E CB 2.081 31.852 29.700 0.117 0.000 1.090 203 E HN 0.241 nan 8.360 nan 0.000 0.396 204 V N 5.244 125.143 119.914 -0.025 0.000 2.364 204 V HA 0.255 4.378 4.120 0.004 0.000 0.272 204 V C -0.143 175.848 176.094 -0.172 0.000 1.036 204 V CA -0.466 61.708 62.300 -0.211 0.000 0.880 204 V CB 0.218 31.912 31.823 -0.214 0.000 0.991 204 V HN 0.513 nan 8.190 nan 0.000 0.460 205 L N 5.511 126.645 121.223 -0.149 0.000 2.334 205 L HA 0.646 4.989 4.340 0.004 0.000 0.276 205 L C -1.019 175.821 176.870 -0.051 0.000 1.014 205 L CA -0.677 54.108 54.840 -0.092 0.000 0.815 205 L CB 1.787 43.816 42.059 -0.051 0.000 1.268 205 L HN 0.648 nan 8.230 nan 0.000 0.428 206 Y N 3.094 123.248 120.300 -0.242 0.000 2.323 206 Y HA 0.361 4.913 4.550 0.003 0.000 0.322 206 Y C -0.224 175.542 175.900 -0.223 0.000 1.133 206 Y CA -1.043 56.908 58.100 -0.248 0.000 1.093 206 Y CB 0.951 39.183 38.460 -0.381 0.000 1.203 206 Y HN 0.556 nan 8.280 nan 0.000 0.427 207 R N 4.097 124.266 120.500 -0.553 0.000 3.525 207 R HA -0.213 4.130 4.340 0.004 0.000 0.276 207 R C 0.931 177.191 176.300 -0.066 0.000 1.116 207 R CA 1.300 57.167 56.100 -0.388 0.000 0.745 207 R CB -1.987 28.000 30.300 -0.522 0.000 1.185 207 R HN 1.741 nan 8.270 nan 0.000 0.454 208 G N -1.360 107.424 108.800 -0.026 0.000 2.217 208 G HA2 -0.326 3.636 3.960 0.004 0.000 0.246 208 G HA3 -0.326 3.636 3.960 0.004 0.000 0.246 208 G C -0.114 174.922 174.900 0.228 0.000 0.990 208 G CA 0.175 45.373 45.100 0.164 0.000 0.627 208 G HN 0.269 nan 8.290 nan 0.000 0.522 209 L N 1.380 122.584 121.223 -0.032 0.000 2.317 209 L HA 0.689 5.031 4.340 0.004 0.000 0.281 209 L C 0.361 177.159 176.870 -0.120 0.000 1.024 209 L CA -1.048 53.700 54.840 -0.153 0.000 0.810 209 L CB 1.618 43.337 42.059 -0.567 0.000 1.240 209 L HN 0.253 nan 8.230 nan 0.000 0.427 210 E N 3.084 123.251 120.200 -0.056 0.000 2.217 210 E HA 0.183 4.536 4.350 0.004 0.000 0.279 210 E C 0.317 176.856 176.600 -0.102 0.000 1.068 210 E CA -0.124 56.238 56.400 -0.063 0.000 0.882 210 E CB 0.801 30.494 29.700 -0.012 0.000 1.039 210 E HN 0.613 nan 8.360 nan 0.000 0.418 211 V N 1.526 121.354 119.914 -0.143 0.000 3.661 211 V HA 0.567 4.690 4.120 0.004 0.000 0.271 211 V C 0.363 176.464 176.094 0.012 0.000 1.315 211 V CA 0.362 62.590 62.300 -0.120 0.000 1.072 211 V CB -0.031 31.581 31.823 -0.352 0.000 0.830 211 V HN 0.547 nan 8.190 nan 0.000 0.443 212 A N 0.506 123.277 122.820 -0.082 0.000 2.599 212 A HA 0.723 5.046 4.320 0.004 0.000 0.294 212 A C -0.346 177.124 177.584 -0.189 0.000 1.055 212 A CA 0.168 52.049 52.037 -0.259 0.000 0.683 212 A CB 1.172 19.863 19.000 -0.516 0.000 1.278 212 A HN 0.646 nan 8.150 nan 0.000 0.412 213 T N -0.188 114.222 114.554 -0.239 0.000 2.841 213 T HA 0.709 5.062 4.350 0.004 0.000 0.283 213 T C -0.743 173.797 174.700 -0.267 0.000 1.000 213 T CA -0.536 61.463 62.100 -0.169 0.000 0.977 213 T CB 0.855 69.639 68.868 -0.139 0.000 0.979 213 T HN 0.637 nan 8.240 nan 0.000 0.446 214 L N 3.253 124.346 121.223 -0.216 0.000 2.366 214 L HA 0.555 4.897 4.340 0.004 0.000 0.266 214 L C -0.729 175.666 176.870 -0.792 0.000 1.010 214 L CA -1.096 53.497 54.840 -0.412 0.000 0.879 214 L CB 1.531 43.573 42.059 -0.028 0.000 1.228 214 L HN 0.474 nan 8.230 nan 0.000 0.439 215 V N 2.991 122.317 119.914 -0.980 0.000 2.435 215 V HA 0.418 4.540 4.120 0.004 0.000 0.290 215 V C -0.455 174.930 176.094 -1.182 0.000 1.030 215 V CA -0.269 61.421 62.300 -1.017 0.000 0.881 215 V CB 1.647 32.824 31.823 -1.076 0.000 0.983 215 V HN 0.345 nan 8.190 nan 0.000 0.445 216 F N 4.414 124.073 119.950 -0.486 0.000 2.311 216 F HA 0.528 5.058 4.527 0.004 0.000 0.371 216 F C 0.432 176.156 175.800 -0.127 0.000 1.083 216 F CA -0.620 57.098 58.000 -0.470 0.000 1.113 216 F CB 0.976 39.447 39.000 -0.880 0.000 1.349 216 F HN 0.281 nan 8.300 nan 0.000 0.470 217 M N 3.401 123.058 119.600 0.096 0.000 2.292 217 M HA 0.132 4.615 4.480 0.004 0.000 0.342 217 M C 0.891 177.352 176.300 0.268 0.000 1.538 217 M CA 0.657 56.058 55.300 0.168 0.000 1.163 217 M CB 0.964 33.628 32.600 0.107 0.000 1.823 217 M HN 0.758 nan 8.290 nan 0.000 0.462 218 Q N 2.219 122.151 119.800 0.219 0.000 2.313 218 Q HA 0.203 4.546 4.340 0.004 0.000 0.263 218 Q C -0.783 175.108 176.000 -0.181 0.000 0.820 218 Q CA 0.231 56.072 55.803 0.063 0.000 0.974 218 Q CB 1.018 29.858 28.738 0.170 0.000 1.156 218 Q HN 0.712 nan 8.270 nan 0.000 0.517 223 P HA 0.751 nan 4.420 nan 0.000 0.285 223 P C 0.401 177.695 177.300 -0.010 0.000 1.269 223 P CA -0.008 63.081 63.100 -0.018 0.000 0.844 223 P CB 0.970 32.667 31.700 -0.005 0.000 1.094 224 E N 0.154 120.345 120.200 -0.014 0.000 3.213 224 E HA -0.272 4.080 4.350 0.004 0.000 0.374 224 E C -0.083 176.513 176.600 -0.006 0.000 1.500 224 E CA 1.930 58.324 56.400 -0.009 0.000 1.497 224 E CB -1.550 28.148 29.700 -0.002 0.000 1.692 224 E HN 0.799 nan 8.360 nan 0.000 0.494 225 N N 0.980 119.679 118.700 -0.001 0.000 3.114 225 N HA 0.542 5.284 4.740 0.004 0.000 0.289 225 N C -1.152 174.363 175.510 0.008 0.000 1.519 225 N CA 0.338 53.389 53.050 0.002 0.000 1.026 225 N CB 1.414 39.901 38.487 0.001 0.000 1.306 225 N HN 0.559 nan 8.380 nan 0.000 0.495 226 A N 1.148 123.975 122.820 0.011 0.000 2.309 226 A HA 0.652 4.975 4.320 0.004 0.000 0.298 226 A C -2.100 175.497 177.584 0.021 0.000 1.165 226 A CA -1.219 50.830 52.037 0.020 0.000 0.821 226 A CB 0.047 19.063 19.000 0.027 0.000 1.102 226 A HN 0.332 nan 8.150 nan 0.000 0.500 227 P HA 0.114 nan 4.420 nan 0.000 0.267 227 P C 0.515 177.832 177.300 0.029 0.000 1.200 227 P CA -0.115 62.999 63.100 0.024 0.000 0.772 227 P CB 0.531 32.246 31.700 0.025 0.000 0.855 228 Q N 0.746 120.561 119.800 0.024 0.000 2.046 228 Q HA -0.166 4.177 4.340 0.004 0.000 0.200 228 Q C 1.243 177.263 176.000 0.033 0.000 0.975 228 Q CA 1.176 56.993 55.803 0.025 0.000 0.836 228 Q CB -0.239 28.509 28.738 0.017 0.000 0.896 228 Q HN 0.546 nan 8.270 nan 0.000 0.428 229 D N -0.257 120.162 120.400 0.032 0.000 2.363 229 D HA -0.079 4.564 4.640 0.004 0.000 0.226 229 D C 1.456 177.787 176.300 0.052 0.000 1.020 229 D CA 0.463 54.485 54.000 0.036 0.000 0.892 229 D CB 0.411 41.228 40.800 0.029 0.000 0.900 229 D HN 0.198 nan 8.370 nan 0.000 0.531 230 Q N -0.474 119.362 119.800 0.059 0.000 2.394 230 Q HA 0.080 4.422 4.340 0.004 0.000 0.218 230 Q C 0.399 176.467 176.000 0.114 0.000 0.907 230 Q CA 0.175 56.027 55.803 0.082 0.000 0.919 230 Q CB 0.916 29.695 28.738 0.068 0.000 1.051 230 Q HN 0.082 nan 8.270 nan 0.000 0.538 231 V N 1.603 121.572 119.914 0.090 0.000 2.508 231 V HA 0.122 4.244 4.120 0.004 0.000 0.281 231 V C 0.181 176.327 176.094 0.088 0.000 1.041 231 V CA -0.050 62.309 62.300 0.099 0.000 1.016 231 V CB 1.291 33.151 31.823 0.061 0.000 0.984 231 V HN -0.088 nan 8.190 nan 0.000 0.478 232 V N 6.174 126.151 119.914 0.104 0.000 2.715 232 V HA 0.561 4.683 4.120 0.004 0.000 0.310 232 V C -0.411 175.708 176.094 0.042 0.000 1.054 232 V CA -0.430 61.885 62.300 0.025 0.000 0.928 232 V CB 2.546 34.324 31.823 -0.075 0.000 1.007 232 V HN 0.606 nan 8.190 nan 0.000 0.437 233 V N 7.487 127.403 119.914 0.004 0.000 2.370 233 V HA 0.540 4.663 4.120 0.004 0.000 0.279 233 V C 0.028 176.129 176.094 0.013 0.000 1.029 233 V CA -0.084 62.241 62.300 0.042 0.000 0.870 233 V CB 1.033 32.864 31.823 0.014 0.000 0.984 233 V HN 0.678 nan 8.190 nan 0.000 0.451 237 E N 0.394 120.630 120.200 0.060 0.000 2.312 237 E HA 0.504 4.856 4.350 0.004 0.000 0.267 237 E C -0.805 175.788 176.600 -0.011 0.000 0.894 237 E CA -0.848 55.549 56.400 -0.006 0.000 0.773 237 E CB 2.155 31.835 29.700 -0.034 0.000 1.241 237 E HN 0.008 nan 8.360 nan 0.000 0.432 238 K N 1.676 121.988 120.400 -0.147 0.000 2.258 238 K HA 0.363 4.686 4.320 0.004 0.000 0.284 238 K C -1.283 175.168 176.600 -0.248 0.000 1.051 238 K CA -0.097 56.131 56.287 -0.098 0.000 0.923 238 K CB 0.564 33.020 32.500 -0.073 0.000 1.046 238 K HN 0.340 nan 8.250 nan 0.000 0.474 239 Y N 2.161 122.489 120.300 0.046 0.000 2.512 239 Y HA 0.457 5.010 4.550 0.005 0.000 0.348 239 Y C 0.032 176.048 175.900 0.193 0.000 0.990 239 Y CA -1.217 56.957 58.100 0.122 0.000 1.033 239 Y CB 1.438 39.970 38.460 0.120 0.000 1.259 239 Y HN 0.410 nan 8.280 nan 0.000 0.461 240 I N -0.021 120.789 120.570 0.399 0.000 2.797 240 I HA 0.751 4.923 4.170 0.004 0.000 0.307 240 I C -2.916 173.412 176.117 0.352 0.000 1.033 240 I CA -3.013 58.489 61.300 0.337 0.000 1.071 240 I CB 1.988 40.091 38.000 0.172 0.000 1.255 240 I HN 0.255 nan 8.210 nan 0.000 0.445 241 P HA 0.185 nan 4.420 nan 0.000 0.268 241 P C -0.786 176.453 177.300 -0.102 0.000 1.205 241 P CA 0.065 63.022 63.100 -0.239 0.000 0.771 241 P CB 0.451 32.023 31.700 -0.213 0.000 0.858 242 M N 3.111 122.619 119.600 -0.153 0.000 2.188 242 M HA 0.016 4.499 4.480 0.004 0.000 0.354 242 M C 1.799 178.045 176.300 -0.089 0.000 1.342 242 M CA 0.061 55.327 55.300 -0.057 0.000 1.117 242 M CB 0.689 33.273 32.600 -0.027 0.000 1.670 242 M HN 0.463 nan 8.290 nan 0.000 0.466 243 E N 1.372 121.552 120.200 -0.034 0.000 2.204 243 E HA -0.044 4.308 4.350 0.004 0.000 0.194 243 E C 0.079 176.653 176.600 -0.044 0.000 0.989 243 E CA 1.037 57.418 56.400 -0.032 0.000 0.824 243 E CB -0.113 29.597 29.700 0.016 0.000 0.756 243 E HN 0.565 nan 8.360 nan 0.000 0.477 247 V N 3.317 123.150 119.914 -0.134 0.000 2.389 247 V HA 0.382 4.504 4.120 0.004 0.000 0.264 247 V C -0.199 175.715 176.094 -0.300 0.000 1.049 247 V CA 0.128 62.282 62.300 -0.243 0.000 0.932 247 V CB 1.340 33.044 31.823 -0.199 0.000 1.011 247 V HN 0.914 nan 8.190 nan 0.000 0.475 248 D N 4.320 124.488 120.400 -0.387 0.000 2.464 248 D HA 0.382 5.025 4.640 0.004 0.000 0.243 248 D C 0.223 176.276 176.300 -0.413 0.000 1.104 248 D CA -0.222 53.641 54.000 -0.229 0.000 0.883 248 D CB 1.302 41.932 40.800 -0.283 0.000 1.050 248 D HN 0.636 nan 8.370 nan 0.000 0.524 249 T N 0.155 114.427 114.554 -0.469 0.000 2.948 249 T HA 0.860 5.212 4.350 0.004 0.000 0.285 249 T C 0.359 174.908 174.700 -0.250 0.000 1.019 249 T CA -0.989 60.845 62.100 -0.443 0.000 1.013 249 T CB 1.917 70.472 68.868 -0.522 0.000 1.117 249 T HN 0.314 nan 8.240 nan 0.000 0.533 250 G N 0.551 109.238 108.800 -0.189 0.000 2.608 250 G HA2 0.531 4.494 3.960 0.004 0.000 0.285 250 G HA3 0.531 4.494 3.960 0.004 0.000 0.285 250 G C -1.801 173.056 174.900 -0.070 0.000 1.407 250 G CA -0.751 44.320 45.100 -0.048 0.000 1.276 250 G HN 0.694 nan 8.290 nan 0.000 0.587 251 Y N 1.409 121.657 120.300 -0.088 0.000 2.345 251 Y HA 0.492 5.044 4.550 0.004 0.000 0.331 251 Y C 1.034 176.896 175.900 -0.063 0.000 0.959 251 Y CA -0.903 57.171 58.100 -0.043 0.000 1.204 251 Y CB 2.373 40.769 38.460 -0.106 0.000 1.135 251 Y HN 0.692 nan 8.280 nan 0.000 0.477 252 G N 3.425 112.304 108.800 0.132 0.000 2.346 252 G HA2 0.113 4.076 3.960 0.004 0.000 0.275 252 G HA3 0.113 4.076 3.960 0.004 0.000 0.275 252 G C 0.814 175.763 174.900 0.081 0.000 1.190 252 G CA -0.251 44.917 45.100 0.114 0.000 1.015 252 G HN 0.799 nan 8.290 nan 0.000 0.441 253 L N 2.885 124.139 121.223 0.052 0.000 2.012 253 L HA -0.085 4.257 4.340 0.004 0.000 0.210 253 L C 2.510 179.401 176.870 0.035 0.000 1.073 253 L CA 2.146 56.999 54.840 0.023 0.000 0.748 253 L CB -0.458 41.604 42.059 0.006 0.000 0.891 253 L HN 0.559 nan 8.230 nan 0.000 0.431 254 E N -0.373 119.816 120.200 -0.017 0.000 2.085 254 E HA -0.190 4.162 4.350 0.004 0.000 0.194 254 E C 2.337 178.985 176.600 0.080 0.000 0.994 254 E CA 1.476 57.837 56.400 -0.066 0.000 0.801 254 E CB -0.213 29.245 29.700 -0.402 0.000 0.743 254 E HN 0.439 nan 8.360 nan 0.000 0.453 255 R N -0.098 120.456 120.500 0.089 0.000 2.092 255 R HA -0.031 4.311 4.340 0.004 0.000 0.231 255 R C 2.389 178.726 176.300 0.062 0.000 1.119 255 R CA 0.926 57.112 56.100 0.143 0.000 0.970 255 R CB -0.343 29.988 30.300 0.051 0.000 0.864 255 R HN 0.203 nan 8.270 nan 0.000 0.440 256 L N 0.120 121.374 121.223 0.051 0.000 2.093 256 L HA -0.141 4.202 4.340 0.004 0.000 0.208 256 L C 2.359 179.249 176.870 0.033 0.000 1.085 256 L CA 0.815 55.666 54.840 0.019 0.000 0.755 256 L CB -0.298 41.817 42.059 0.093 0.000 0.904 256 L HN 0.011 nan 8.230 nan 0.000 0.435 257 V N -1.132 118.843 119.914 0.103 0.000 2.295 257 V HA -0.292 3.830 4.120 0.004 0.000 0.246 257 V C 2.088 178.331 176.094 0.247 0.000 1.049 257 V CA 1.821 64.221 62.300 0.168 0.000 1.024 257 V CB -0.629 31.299 31.823 0.175 0.000 0.648 257 V HN 0.629 nan 8.190 nan 0.000 0.447 258 W N 0.409 121.729 121.300 0.033 0.000 2.338 258 W HA -0.255 4.409 4.660 0.006 0.000 0.304 258 W C 2.341 178.907 176.519 0.079 0.000 1.212 258 W CA 2.217 59.604 57.345 0.070 0.000 1.264 258 W CB -0.649 28.846 29.460 0.058 0.000 1.142 258 W HN 0.297 nan 8.180 nan 0.000 0.512 259 M N 1.103 120.651 119.600 -0.086 0.000 2.202 259 M HA -0.186 4.297 4.480 0.004 0.000 0.262 259 M C 2.258 178.535 176.300 -0.037 0.000 1.063 259 M CA 2.612 57.717 55.300 -0.325 0.000 1.097 259 M CB -0.902 31.460 32.600 -0.397 0.000 1.382 259 M HN 0.068 nan 8.290 nan 0.000 0.413 260 S N -1.503 114.236 115.700 0.064 0.000 2.527 260 S HA 0.002 4.474 4.470 0.004 0.000 0.222 260 S C 1.646 176.346 174.600 0.167 0.000 0.985 260 S CA 0.346 58.629 58.200 0.139 0.000 0.921 260 S CB -0.238 63.107 63.200 0.242 0.000 0.772 260 S HN 0.624 nan 8.310 nan 0.000 0.529 261 Q N 0.397 120.315 119.800 0.197 0.000 2.423 261 Q HA 0.269 4.612 4.340 0.004 0.000 0.231 261 Q C 1.534 177.652 176.000 0.196 0.000 0.894 261 Q CA 0.726 56.654 55.803 0.207 0.000 0.938 261 Q CB -0.219 28.673 28.738 0.256 0.000 1.079 261 Q HN 0.716 nan 8.270 nan 0.000 0.552 262 G N 3.077 112.006 108.800 0.215 0.000 2.203 262 G HA2 -0.301 3.662 3.960 0.004 0.000 0.263 262 G HA3 -0.301 3.662 3.960 0.004 0.000 0.263 262 G C 0.441 175.436 174.900 0.158 0.000 1.012 262 G CA 0.803 45.983 45.100 0.134 0.000 0.749 262 G HN 0.435 nan 8.290 nan 0.000 0.512 263 T N -2.177 112.567 114.554 0.317 0.000 2.802 263 T HA 0.470 4.822 4.350 0.004 0.000 0.305 263 T C -0.585 174.311 174.700 0.328 0.000 1.053 263 T CA -0.589 61.680 62.100 0.282 0.000 1.058 263 T CB 1.434 70.458 68.868 0.259 0.000 0.988 263 T HN -0.019 nan 8.240 nan 0.000 0.539 264 P HA 0.007 nan 4.420 nan 0.000 0.216 264 P C 0.809 178.217 177.300 0.179 0.000 1.150 264 P CA 1.155 64.348 63.100 0.154 0.000 0.837 264 P CB -0.119 31.636 31.700 0.091 0.000 0.786 265 T N -5.920 108.639 114.554 0.009 0.000 2.916 265 T HA 0.702 5.054 4.350 0.004 0.000 0.292 265 T C 1.060 175.159 174.700 -1.001 0.000 1.064 265 T CA -0.381 61.443 62.100 -0.461 0.000 1.011 265 T CB 1.793 70.318 68.868 -0.571 0.000 1.152 265 T HN -0.078 nan 8.240 nan 0.000 0.510 266 A N 0.206 121.813 122.820 -2.022 0.000 1.972 266 A HA 0.043 4.365 4.320 0.004 0.000 0.219 266 A C 1.807 179.021 177.584 -0.616 0.000 1.169 266 A CA 1.172 52.245 52.037 -1.607 0.000 0.635 266 A CB -1.301 16.909 19.000 -1.316 0.000 0.810 266 A HN 0.884 nan 8.150 nan 0.000 0.446 267 Y N 0.834 120.832 120.300 -0.504 0.000 2.224 267 Y HA -0.184 4.369 4.550 0.005 0.000 0.289 267 Y C 2.124 177.948 175.900 -0.127 0.000 1.146 267 Y CA 0.950 58.868 58.100 -0.303 0.000 1.182 267 Y CB -0.689 37.340 38.460 -0.719 0.000 0.983 267 Y HN 0.307 nan 8.280 nan 0.000 0.524 268 D N -0.159 120.225 120.400 -0.026 0.000 2.178 268 D HA -0.130 4.512 4.640 0.004 0.000 0.201 268 D C 2.201 178.576 176.300 0.125 0.000 0.980 268 D CA 1.414 55.476 54.000 0.103 0.000 0.842 268 D CB -0.280 40.591 40.800 0.118 0.000 0.948 268 D HN 0.399 nan 8.370 nan 0.000 0.472 269 A N 0.255 123.132 122.820 0.094 0.000 1.970 269 A HA 0.001 4.324 4.320 0.004 0.000 0.216 269 A C 2.367 180.062 177.584 0.185 0.000 1.170 269 A CA 0.734 52.871 52.037 0.166 0.000 0.645 269 A CB 0.038 19.171 19.000 0.221 0.000 0.816 269 A HN 0.143 nan 8.150 nan 0.000 0.447 270 V N -1.271 118.753 119.914 0.184 0.000 2.908 270 V HA 0.148 4.271 4.120 0.004 0.000 0.240 270 V C 1.521 177.801 176.094 0.311 0.000 1.117 270 V CA 0.883 63.322 62.300 0.233 0.000 1.133 270 V CB -0.068 31.866 31.823 0.186 0.000 0.857 270 V HN 0.454 nan 8.190 nan 0.000 0.478 271 L N 0.432 121.790 121.223 0.225 0.000 3.014 271 L HA 0.377 4.719 4.340 0.004 0.000 0.263 271 L C 2.149 178.954 176.870 -0.108 0.000 1.207 271 L CA 0.501 55.352 54.840 0.019 0.000 1.017 271 L CB -0.045 42.079 42.059 0.109 0.000 1.360 271 L HN 0.363 nan 8.230 nan 0.000 0.560 272 G N 1.068 109.924 108.800 0.094 0.000 2.507 272 G HA2 -0.359 3.604 3.960 0.004 0.000 0.221 272 G HA3 -0.359 3.604 3.960 0.004 0.000 0.221 272 G C 1.323 176.263 174.900 0.066 0.000 1.119 272 G CA 1.412 46.577 45.100 0.108 0.000 0.751 272 G HN 0.648 nan 8.290 nan 0.000 0.574 273 Y N -0.674 119.682 120.300 0.093 0.000 2.574 273 Y HA 0.316 4.868 4.550 0.004 0.000 0.294 273 Y C 1.997 177.900 175.900 0.005 0.000 1.142 273 Y CA 0.652 58.785 58.100 0.054 0.000 1.314 273 Y CB -0.226 38.272 38.460 0.063 0.000 0.991 273 Y HN 0.035 nan 8.280 nan 0.000 0.555 274 V N -1.398 118.231 119.914 -0.476 0.000 3.151 274 V HA -0.045 4.078 4.120 0.004 0.000 0.241 274 V C 2.142 178.130 176.094 -0.176 0.000 1.173 274 V CA 0.732 62.825 62.300 -0.345 0.000 1.154 274 V CB 0.327 31.828 31.823 -0.537 0.000 0.898 274 V HN 0.253 nan 8.190 nan 0.000 0.473 275 V N 0.354 120.189 119.914 -0.132 0.000 2.295 275 V HA -0.202 3.921 4.120 0.004 0.000 0.246 275 V C 2.633 178.694 176.094 -0.054 0.000 1.049 275 V CA 2.051 64.323 62.300 -0.047 0.000 1.024 275 V CB -0.457 31.425 31.823 0.097 0.000 0.648 275 V HN 0.524 nan 8.190 nan 0.000 0.447 276 E N -0.389 119.803 120.200 -0.014 0.000 2.072 276 E HA -0.133 4.220 4.350 0.004 0.000 0.191 276 E C 0.511 177.096 176.600 -0.026 0.000 0.985 276 E CA 1.453 57.851 56.400 -0.003 0.000 0.801 276 E CB -1.758 27.966 29.700 0.040 0.000 0.750 276 E HN 0.542 nan 8.360 nan 0.000 0.452 277 P HA -0.094 nan 4.420 nan 0.000 0.216 277 P C 0.937 178.203 177.300 -0.056 0.000 1.150 277 P CA 0.740 63.823 63.100 -0.028 0.000 0.837 277 P CB 0.071 31.761 31.700 -0.018 0.000 0.786 282 A N 0.481 123.254 122.820 -0.078 0.000 2.218 282 A HA 0.552 4.874 4.320 0.004 0.000 0.209 282 A C 1.523 179.060 177.584 -0.078 0.000 1.168 282 A CA 1.120 53.107 52.037 -0.084 0.000 0.804 282 A CB -0.644 18.286 19.000 -0.117 0.000 0.834 282 A HN 0.977 nan 8.150 nan 0.000 0.482 283 G N -0.156 108.602 108.800 -0.071 0.000 2.198 283 G HA2 -0.201 3.762 3.960 0.004 0.000 0.260 283 G HA3 -0.201 3.762 3.960 0.004 0.000 0.260 283 G C -0.043 174.818 174.900 -0.065 0.000 1.025 283 G CA 0.191 45.258 45.100 -0.055 0.000 0.769 283 G HN 0.337 nan 8.290 nan 0.000 0.507 284 I N 1.191 121.697 120.570 -0.107 0.000 2.421 284 I HA 0.217 4.389 4.170 0.004 0.000 0.291 284 I C 0.826 176.902 176.117 -0.068 0.000 1.089 284 I CA -0.582 60.639 61.300 -0.132 0.000 1.354 284 I CB 0.275 38.092 38.000 -0.305 0.000 1.413 284 I HN 0.147 nan 8.210 nan 0.000 0.513 285 E N 5.271 125.470 120.200 -0.002 0.000 2.392 285 E HA 0.120 4.472 4.350 0.004 0.000 0.259 285 E C 0.090 176.762 176.600 0.121 0.000 1.108 285 E CA -0.587 55.839 56.400 0.042 0.000 0.916 285 E CB 1.047 30.767 29.700 0.035 0.000 0.989 285 E HN 0.315 nan 8.360 nan 0.000 0.432 286 K N 1.691 122.158 120.400 0.111 0.000 2.489 286 K HA 0.061 4.384 4.320 0.004 0.000 0.278 286 K C 0.233 176.893 176.600 0.099 0.000 1.000 286 K CA 0.144 56.513 56.287 0.136 0.000 1.012 286 K CB 0.113 32.661 32.500 0.080 0.000 0.903 286 K HN 0.388 nan 8.250 nan 0.000 0.485 287 I N -0.847 119.757 120.570 0.057 0.000 2.910 287 I HA 0.333 4.506 4.170 0.004 0.000 0.310 287 I C -0.163 175.917 176.117 -0.061 0.000 1.043 287 I CA -1.187 60.095 61.300 -0.031 0.000 1.053 287 I CB 1.399 39.328 38.000 -0.120 0.000 1.242 287 I HN 0.420 nan 8.210 nan 0.000 0.452 288 D N 2.906 123.274 120.400 -0.053 0.000 2.554 288 D HA -0.091 4.552 4.640 0.004 0.000 0.251 288 D C 0.908 177.166 176.300 -0.069 0.000 1.213 288 D CA 0.834 54.806 54.000 -0.047 0.000 0.900 288 D CB 0.674 41.450 40.800 -0.039 0.000 1.135 288 D HN 0.688 nan 8.370 nan 0.000 0.522 289 E N 2.768 122.940 120.200 -0.047 0.000 2.204 289 E HA -0.179 4.174 4.350 0.004 0.000 0.195 289 E C 1.546 178.124 176.600 -0.036 0.000 0.990 289 E CA 0.697 57.072 56.400 -0.043 0.000 0.821 289 E CB 0.279 29.973 29.700 -0.011 0.000 0.750 289 E HN 0.512 nan 8.360 nan 0.000 0.477 290 K N 0.367 120.748 120.400 -0.031 0.000 2.103 290 K HA -0.176 4.146 4.320 0.004 0.000 0.207 290 K C 2.081 178.663 176.600 -0.031 0.000 1.048 290 K CA 1.084 57.355 56.287 -0.026 0.000 0.930 290 K CB -0.168 32.318 32.500 -0.023 0.000 0.716 290 K HN 0.165 nan 8.250 nan 0.000 0.444 291 I N 1.186 121.727 120.570 -0.048 0.000 2.091 291 I HA -0.339 3.833 4.170 0.004 0.000 0.239 291 I C 2.291 178.383 176.117 -0.042 0.000 1.061 291 I CA 1.523 62.791 61.300 -0.053 0.000 1.317 291 I CB -0.276 37.675 38.000 -0.082 0.000 1.031 291 I HN 0.124 nan 8.210 nan 0.000 0.401 292 L N -0.669 120.521 121.223 -0.055 0.000 2.109 292 L HA -0.184 4.158 4.340 0.004 0.000 0.207 292 L C 2.606 179.494 176.870 0.029 0.000 1.086 292 L CA 1.094 55.929 54.840 -0.008 0.000 0.760 292 L CB -0.350 41.700 42.059 -0.014 0.000 0.910 292 L HN 0.270 nan 8.230 nan 0.000 0.437 293 M N -0.742 118.867 119.600 0.015 0.000 2.067 293 M HA -0.197 4.286 4.480 0.004 0.000 0.260 293 M C 2.291 178.603 176.300 0.021 0.000 1.069 293 M CA 1.664 56.977 55.300 0.021 0.000 1.117 293 M CB -0.376 32.221 32.600 -0.005 0.000 1.334 293 M HN 0.149 nan 8.290 nan 0.000 0.407 294 E N 0.201 120.405 120.200 0.005 0.000 2.110 294 E HA -0.183 4.170 4.350 0.004 0.000 0.193 294 E C 1.570 178.184 176.600 0.022 0.000 0.988 294 E CA 1.284 57.687 56.400 0.005 0.000 0.804 294 E CB -0.736 28.961 29.700 -0.006 0.000 0.745 294 E HN 0.502 nan 8.360 nan 0.000 0.458 295 N N 0.883 119.598 118.700 0.024 0.000 2.036 295 N HA -0.151 4.592 4.740 0.004 0.000 0.195 295 N C 1.846 177.404 175.510 0.081 0.000 1.037 295 N CA 2.023 55.094 53.050 0.036 0.000 0.855 295 N CB -0.091 38.416 38.487 0.033 0.000 1.033 295 N HN -0.102 nan 8.380 nan 0.000 0.423 296 S N 0.034 115.802 115.700 0.114 0.000 2.359 296 S HA -0.098 4.374 4.470 0.004 0.000 0.224 296 S C 1.877 176.619 174.600 0.236 0.000 1.035 296 S CA 1.028 59.355 58.200 0.211 0.000 1.018 296 S CB -0.265 63.101 63.200 0.276 0.000 0.876 296 S HN 0.377 nan 8.310 nan 0.000 0.448 297 R N 0.679 121.259 120.500 0.133 0.000 2.082 297 R HA -0.028 4.314 4.340 0.004 0.000 0.234 297 R C 2.344 178.596 176.300 -0.080 0.000 1.136 297 R CA 1.355 57.464 56.100 0.015 0.000 0.935 297 R CB -0.717 29.575 30.300 -0.013 0.000 0.842 297 R HN 0.331 nan 8.270 nan 0.000 0.430 298 L N 0.319 121.553 121.223 0.018 0.000 2.131 298 L HA -0.148 4.194 4.340 0.004 0.000 0.210 298 L C 2.595 179.596 176.870 0.218 0.000 1.092 298 L CA 1.121 56.021 54.840 0.101 0.000 0.759 298 L CB -0.459 41.667 42.059 0.113 0.000 0.903 298 L HN 0.290 nan 8.230 nan 0.000 0.435 299 A N 0.040 122.958 122.820 0.163 0.000 2.067 299 A HA -0.063 4.260 4.320 0.004 0.000 0.219 299 A C 2.375 180.044 177.584 0.142 0.000 1.158 299 A CA 1.240 53.411 52.037 0.225 0.000 0.661 299 A CB -1.028 18.087 19.000 0.192 0.000 0.801 299 A HN 0.443 nan 8.150 nan 0.000 0.452 300 G N -0.462 108.284 108.800 -0.089 0.000 2.475 300 G HA2 -0.292 3.670 3.960 0.004 0.000 0.220 300 G HA3 -0.292 3.670 3.960 0.004 0.000 0.220 300 G C 1.547 176.325 174.900 -0.204 0.000 1.125 300 G CA 1.290 46.151 45.100 -0.398 0.000 0.755 300 G HN 0.537 nan 8.290 nan 0.000 0.565 301 M N -1.170 118.344 119.600 -0.144 0.000 2.435 301 M HA 0.374 4.856 4.480 0.004 0.000 0.265 301 M C -0.154 176.014 176.300 -0.220 0.000 1.104 301 M CA 0.227 55.405 55.300 -0.203 0.000 1.140 301 M CB 0.320 32.745 32.600 -0.292 0.000 1.372 301 M HN 0.043 nan 8.290 nan 0.000 0.456 302 F N 0.802 120.756 119.950 0.007 0.000 2.425 302 F HA 0.358 4.888 4.527 0.004 0.000 0.331 302 F C -0.024 175.825 175.800 0.083 0.000 1.085 302 F CA -0.663 57.365 58.000 0.047 0.000 1.028 302 F CB 0.989 40.021 39.000 0.053 0.000 1.177 302 F HN -0.077 nan 8.300 nan 0.000 0.487 303 D N 2.437 123.015 120.400 0.297 0.000 2.879 303 D HA 0.241 4.883 4.640 0.004 0.000 0.236 303 D C -0.166 176.235 176.300 0.169 0.000 1.171 303 D CA -0.347 53.766 54.000 0.189 0.000 0.868 303 D CB 2.023 42.894 40.800 0.118 0.000 1.598 303 D HN 0.603 nan 8.370 nan 0.000 0.497 304 I N 0.520 121.153 120.570 0.105 0.000 3.904 304 I HA 0.272 4.445 4.170 0.004 0.000 0.333 304 I C 0.712 176.868 176.117 0.065 0.000 1.361 304 I CA -0.102 61.251 61.300 0.089 0.000 1.116 304 I CB 0.433 38.476 38.000 0.071 0.000 1.028 304 I HN 0.058 nan 8.210 nan 0.000 0.398 305 E N 1.348 121.576 120.200 0.046 0.000 2.299 305 E HA 0.026 4.378 4.350 0.004 0.000 0.193 305 E C -0.204 176.430 176.600 0.058 0.000 0.998 305 E CA 0.450 56.877 56.400 0.044 0.000 0.851 305 E CB -0.119 29.593 29.700 0.020 0.000 0.795 305 E HN 0.622 nan 8.360 nan 0.000 0.492 306 D N 1.643 122.087 120.400 0.072 0.000 2.336 306 D HA 0.109 4.752 4.640 0.004 0.000 0.249 306 D C 0.515 176.873 176.300 0.097 0.000 1.213 306 D CA -0.094 53.955 54.000 0.082 0.000 0.870 306 D CB 1.199 42.054 40.800 0.091 0.000 1.076 306 D HN 0.020 nan 8.370 nan 0.000 0.483 307 L N 1.314 122.586 121.223 0.082 0.000 2.514 307 L HA 0.116 4.458 4.340 0.004 0.000 0.280 307 L C 1.619 178.542 176.870 0.089 0.000 1.223 307 L CA 0.785 55.670 54.840 0.076 0.000 0.864 307 L CB 0.384 42.481 42.059 0.064 0.000 1.118 307 L HN 0.808 nan 8.230 nan 0.000 0.494 308 G N 2.195 111.028 108.800 0.055 0.000 2.199 308 G HA2 -0.286 3.677 3.960 0.004 0.000 0.254 308 G HA3 -0.286 3.677 3.960 0.004 0.000 0.254 308 G C 0.652 175.564 174.900 0.021 0.000 0.982 308 G CA 0.347 45.455 45.100 0.014 0.000 0.632 308 G HN 0.711 nan 8.290 nan 0.000 0.529 309 D N -0.196 120.289 120.400 0.142 0.000 2.194 309 D HA 0.082 4.725 4.640 0.004 0.000 0.204 309 D C 2.416 178.753 176.300 0.063 0.000 0.964 309 D CA 0.912 55.071 54.000 0.264 0.000 0.846 309 D CB -0.153 40.853 40.800 0.344 0.000 0.962 309 D HN 0.390 nan 8.370 nan 0.000 0.490 310 L N 1.321 122.537 121.223 -0.012 0.000 2.043 310 L HA -0.160 4.183 4.340 0.004 0.000 0.212 310 L C 2.151 178.919 176.870 -0.171 0.000 1.075 310 L CA 1.718 56.507 54.840 -0.084 0.000 0.752 310 L CB -0.447 41.587 42.059 -0.042 0.000 0.891 310 L HN -0.103 nan 8.230 nan 0.000 0.432 311 R N -1.311 119.058 120.500 -0.219 0.000 2.091 311 R HA -0.236 4.107 4.340 0.004 0.000 0.238 311 R C 2.203 178.311 176.300 -0.320 0.000 1.136 311 R CA 2.130 58.045 56.100 -0.308 0.000 0.959 311 R CB -0.654 29.386 30.300 -0.433 0.000 0.856 311 R HN 0.465 nan 8.270 nan 0.000 0.437 312 Y N 0.571 120.797 120.300 -0.125 0.000 2.220 312 Y HA -0.143 4.409 4.550 0.004 0.000 0.291 312 Y C 2.195 177.826 175.900 -0.448 0.000 1.129 312 Y CA 0.863 58.873 58.100 -0.149 0.000 1.161 312 Y CB -0.819 37.671 38.460 0.051 0.000 0.997 312 Y HN 0.045 nan 8.280 nan 0.000 0.522 313 L N 0.607 121.368 121.223 -0.770 0.000 2.013 313 L HA -0.240 4.102 4.340 0.004 0.000 0.212 313 L C 2.430 179.063 176.870 -0.395 0.000 1.073 313 L CA 1.893 56.125 54.840 -1.012 0.000 0.753 313 L CB -0.572 40.973 42.059 -0.857 0.000 0.890 313 L HN 0.016 nan 8.230 nan 0.000 0.432 314 R N -0.219 120.127 120.500 -0.256 0.000 2.081 314 R HA -0.144 4.198 4.340 0.004 0.000 0.235 314 R C 2.249 178.488 176.300 -0.101 0.000 1.131 314 R CA 1.798 57.811 56.100 -0.145 0.000 0.960 314 R CB -0.265 29.963 30.300 -0.120 0.000 0.856 314 R HN 0.569 nan 8.270 nan 0.000 0.436 315 E N -0.476 119.672 120.200 -0.087 0.000 2.118 315 E HA -0.227 4.125 4.350 0.004 0.000 0.195 315 E C 2.030 178.620 176.600 -0.017 0.000 0.992 315 E CA 1.056 57.439 56.400 -0.028 0.000 0.804 315 E CB 0.049 29.766 29.700 0.029 0.000 0.741 315 E HN 0.314 nan 8.360 nan 0.000 0.458 316 Q N 0.143 119.921 119.800 -0.036 0.000 2.046 316 Q HA -0.109 4.233 4.340 0.004 0.000 0.200 316 Q C 2.472 178.462 176.000 -0.017 0.000 0.975 316 Q CA 0.979 56.779 55.803 -0.005 0.000 0.836 316 Q CB -0.376 28.376 28.738 0.024 0.000 0.896 316 Q HN 0.228 nan 8.270 nan 0.000 0.428 317 V N 1.423 121.309 119.914 -0.047 0.000 2.295 317 V HA -0.246 3.876 4.120 0.004 0.000 0.246 317 V C 2.458 178.536 176.094 -0.028 0.000 1.049 317 V CA 1.734 64.013 62.300 -0.035 0.000 1.024 317 V CB -1.247 30.548 31.823 -0.047 0.000 0.648 317 V HN 0.318 nan 8.190 nan 0.000 0.447 318 A N -0.079 122.722 122.820 -0.032 0.000 1.892 318 A HA -0.303 4.020 4.320 0.004 0.000 0.218 318 A C 2.228 179.803 177.584 -0.015 0.000 1.188 318 A CA 2.472 54.494 52.037 -0.025 0.000 0.631 318 A CB -0.499 18.485 19.000 -0.026 0.000 0.822 318 A HN 0.482 nan 8.150 nan 0.000 0.447 319 K N -0.619 119.775 120.400 -0.010 0.000 2.062 319 K HA 0.052 4.374 4.320 0.004 0.000 0.205 319 K C 2.207 178.805 176.600 -0.004 0.000 1.051 319 K CA 1.145 57.430 56.287 -0.003 0.000 0.941 319 K CB -0.274 32.229 32.500 0.005 0.000 0.719 319 K HN 0.425 nan 8.250 nan 0.000 0.440 320 R N 0.049 120.546 120.500 -0.004 0.000 2.091 320 R HA -0.104 4.239 4.340 0.004 0.000 0.238 320 R C 1.973 178.267 176.300 -0.010 0.000 1.136 320 R CA 1.570 57.667 56.100 -0.005 0.000 0.959 320 R CB -0.419 29.879 30.300 -0.004 0.000 0.856 320 R HN 0.013 nan 8.270 nan 0.000 0.437 321 V N -0.687 119.219 119.914 -0.013 0.000 2.719 321 V HA 0.024 4.147 4.120 0.004 0.000 0.252 321 V C 1.202 177.288 176.094 -0.014 0.000 1.065 321 V CA 1.231 63.522 62.300 -0.016 0.000 1.086 321 V CB -0.166 31.644 31.823 -0.021 0.000 0.700 321 V HN 0.711 nan 8.190 nan 0.000 0.467 322 G N 1.323 110.116 108.800 -0.012 0.000 2.248 322 G HA2 -0.204 3.759 3.960 0.004 0.000 0.252 322 G HA3 -0.204 3.759 3.960 0.004 0.000 0.252 322 G C -0.148 174.745 174.900 -0.011 0.000 1.085 322 G CA 0.393 45.487 45.100 -0.010 0.000 0.845 322 G HN 0.740 nan 8.290 nan 0.000 0.494 323 I N -3.349 117.213 120.570 -0.013 0.000 3.239 323 I HA 0.894 5.066 4.170 0.004 0.000 0.314 323 I C 0.550 176.659 176.117 -0.014 0.000 1.126 323 I CA -0.831 60.461 61.300 -0.014 0.000 0.973 323 I CB 1.751 39.741 38.000 -0.017 0.000 1.252 323 I HN 0.248 nan 8.210 nan 0.000 0.463 324 T N -0.195 114.350 114.554 -0.014 0.000 2.868 324 T HA 0.258 4.610 4.350 0.004 0.000 0.292 324 T C 1.294 175.981 174.700 -0.021 0.000 1.028 324 T CA -0.166 61.925 62.100 -0.016 0.000 1.059 324 T CB 1.523 70.382 68.868 -0.014 0.000 0.991 324 T HN 0.785 nan 8.240 nan 0.000 0.531 325 V N -0.383 119.516 119.914 -0.024 0.000 2.490 325 V HA -0.096 4.027 4.120 0.004 0.000 0.250 325 V C 2.212 178.288 176.094 -0.031 0.000 1.061 325 V CA 1.617 63.897 62.300 -0.032 0.000 1.064 325 V CB -1.343 30.456 31.823 -0.040 0.000 0.670 325 V HN 0.847 nan 8.190 nan 0.000 0.461 326 E N 0.927 121.111 120.200 -0.026 0.000 2.072 326 E HA -0.122 4.230 4.350 0.004 0.000 0.191 326 E C 2.242 178.830 176.600 -0.020 0.000 0.985 326 E CA 1.599 57.985 56.400 -0.023 0.000 0.801 326 E CB -0.370 29.318 29.700 -0.019 0.000 0.750 326 E HN 0.757 nan 8.360 nan 0.000 0.452 327 E N 0.114 120.303 120.200 -0.018 0.000 2.110 327 E HA -0.182 4.171 4.350 0.004 0.000 0.193 327 E C 1.962 178.551 176.600 -0.019 0.000 0.988 327 E CA 0.728 57.118 56.400 -0.017 0.000 0.804 327 E CB -0.090 29.601 29.700 -0.015 0.000 0.745 327 E HN 0.099 nan 8.360 nan 0.000 0.458 328 L N 1.562 122.771 121.223 -0.024 0.000 2.017 328 L HA -0.197 4.146 4.340 0.004 0.000 0.208 328 L C 2.276 179.130 176.870 -0.026 0.000 1.073 328 L CA 2.058 56.881 54.840 -0.029 0.000 0.745 328 L CB -0.509 41.530 42.059 -0.034 0.000 0.894 328 L HN -0.023 nan 8.230 nan 0.000 0.432 329 E N 0.225 120.409 120.200 -0.027 0.000 2.058 329 E HA -0.306 4.047 4.350 0.004 0.000 0.194 329 E C 2.325 178.915 176.600 -0.016 0.000 0.997 329 E CA 2.071 58.456 56.400 -0.024 0.000 0.801 329 E CB -0.389 29.294 29.700 -0.027 0.000 0.746 329 E HN 0.508 nan 8.360 nan 0.000 0.450 330 K N -0.521 119.870 120.400 -0.014 0.000 2.063 330 K HA -0.183 4.139 4.320 0.004 0.000 0.208 330 K C 1.999 178.601 176.600 0.004 0.000 1.048 330 K CA 1.451 57.733 56.287 -0.008 0.000 0.928 330 K CB -0.306 32.189 32.500 -0.009 0.000 0.713 330 K HN 0.220 nan 8.250 nan 0.000 0.442 331 A N 1.137 123.958 122.820 0.001 0.000 1.854 331 A HA -0.100 4.223 4.320 0.004 0.000 0.214 331 A C 2.120 179.726 177.584 0.037 0.000 1.192 331 A CA 1.267 53.312 52.037 0.012 0.000 0.611 331 A CB -0.500 18.489 19.000 -0.019 0.000 0.832 331 A HN 0.429 nan 8.150 nan 0.000 0.442 332 I N -1.272 119.300 120.570 0.003 0.000 2.439 332 I HA -0.159 4.014 4.170 0.004 0.000 0.251 332 I C 2.536 178.685 176.117 0.054 0.000 1.139 332 I CA 1.175 62.480 61.300 0.008 0.000 1.438 332 I CB -0.058 37.931 38.000 -0.018 0.000 1.085 332 I HN 0.295 nan 8.210 nan 0.000 0.427 333 R N 1.758 122.267 120.500 0.015 0.000 2.096 333 R HA -0.152 4.190 4.340 0.004 0.000 0.240 333 R C -0.811 175.451 176.300 -0.063 0.000 1.139 333 R CA 2.122 58.206 56.100 -0.026 0.000 0.952 333 R CB -1.857 28.424 30.300 -0.032 0.000 0.854 333 R HN 0.222 nan 8.270 nan 0.000 0.436 334 P HA -0.129 nan 4.420 nan 0.000 0.218 334 P C 0.668 177.790 177.300 -0.297 0.000 1.148 334 P CA 1.335 64.342 63.100 -0.155 0.000 0.822 334 P CB -0.161 31.452 31.700 -0.145 0.000 0.784 335 Y N 0.274 120.383 120.300 -0.317 0.000 2.200 335 Y HA -0.137 4.416 4.550 0.004 0.000 0.290 335 Y C 2.376 177.831 175.900 -0.741 0.000 1.137 335 Y CA 1.281 59.025 58.100 -0.594 0.000 1.163 335 Y CB -1.012 37.168 38.460 -0.466 0.000 0.988 335 Y HN 0.051 nan 8.280 nan 0.000 0.518 336 E N 0.086 120.160 120.200 -0.210 0.000 2.085 336 E HA -0.214 4.138 4.350 0.004 0.000 0.194 336 E C 2.118 178.521 176.600 -0.328 0.000 0.994 336 E CA 1.451 57.751 56.400 -0.167 0.000 0.801 336 E CB -0.402 29.240 29.700 -0.098 0.000 0.743 336 E HN 0.449 nan 8.360 nan 0.000 0.453 337 L N 0.509 121.515 121.223 -0.363 0.000 2.027 337 L HA -0.179 4.164 4.340 0.004 0.000 0.206 337 L C 2.497 179.135 176.870 -0.385 0.000 1.074 337 L CA 0.941 55.516 54.840 -0.442 0.000 0.745 337 L CB -0.322 41.557 42.059 -0.300 0.000 0.898 337 L HN 0.134 nan 8.230 nan 0.000 0.433 338 I N -1.469 118.863 120.570 -0.396 0.000 2.179 338 I HA -0.321 3.851 4.170 0.004 0.000 0.242 338 I C 2.496 178.437 176.117 -0.294 0.000 1.088 338 I CA 1.296 62.381 61.300 -0.358 0.000 1.357 338 I CB -0.321 37.410 38.000 -0.448 0.000 1.051 338 I HN 0.136 nan 8.210 nan 0.000 0.409 339 Y N 0.784 120.872 120.300 -0.353 0.000 2.165 339 Y HA -0.249 4.304 4.550 0.005 0.000 0.286 339 Y C 2.636 178.165 175.900 -0.617 0.000 1.155 339 Y CA 0.847 58.609 58.100 -0.563 0.000 1.164 339 Y CB -1.400 36.542 38.460 -0.863 0.000 0.978 339 Y HN 0.143 nan 8.280 nan 0.000 0.513 340 A N 0.155 122.717 122.820 -0.430 0.000 1.877 340 A HA -0.146 4.177 4.320 0.004 0.000 0.216 340 A C 2.329 179.559 177.584 -0.590 0.000 1.186 340 A CA 1.759 53.422 52.037 -0.622 0.000 0.620 340 A CB -1.122 17.492 19.000 -0.645 0.000 0.822 340 A HN 0.425 nan 8.150 nan 0.000 0.443 341 I N -0.078 120.312 120.570 -0.301 0.000 2.163 341 I HA -0.296 3.876 4.170 0.004 0.000 0.243 341 I C 2.985 179.088 176.117 -0.025 0.000 1.085 341 I CA 1.132 62.364 61.300 -0.113 0.000 1.347 341 I CB -0.408 37.554 38.000 -0.063 0.000 1.044 341 I HN 0.349 nan 8.210 nan 0.000 0.408 342 A N 0.398 123.194 122.820 -0.040 0.000 1.865 342 A HA -0.319 4.003 4.320 0.004 0.000 0.217 342 A C 2.201 179.881 177.584 0.161 0.000 1.191 342 A CA 2.289 54.375 52.037 0.081 0.000 0.623 342 A CB -0.888 18.120 19.000 0.014 0.000 0.826 342 A HN 0.558 nan 8.150 nan 0.000 0.444 343 D N -1.352 119.081 120.400 0.055 0.000 2.084 343 D HA -0.235 4.407 4.640 0.004 0.000 0.194 343 D C 1.711 178.125 176.300 0.189 0.000 0.990 343 D CA 1.728 55.821 54.000 0.155 0.000 0.826 343 D CB -0.275 40.597 40.800 0.119 0.000 0.971 343 D HN 0.531 nan 8.370 nan 0.000 0.453 344 H N 0.057 119.118 119.070 -0.015 0.000 2.387 344 H HA -0.080 4.479 4.556 0.004 0.000 0.299 344 H C 2.371 177.677 175.328 -0.037 0.000 1.090 344 H CA 2.062 58.088 56.048 -0.037 0.000 1.332 344 H CB -0.963 28.780 29.762 -0.032 0.000 1.386 344 H HN 0.368 nan 8.280 nan 0.000 0.516 345 T N -1.546 113.081 114.554 0.122 0.000 2.915 345 T HA -0.095 4.258 4.350 0.004 0.000 0.269 345 T C 1.947 176.529 174.700 -0.197 0.000 1.071 345 T CA 1.212 63.350 62.100 0.063 0.000 1.132 345 T CB 0.186 69.192 68.868 0.230 0.000 0.878 345 T HN 0.286 nan 8.240 nan 0.000 0.479 346 K N 1.410 121.526 120.400 -0.472 0.000 2.031 346 K HA 0.132 4.454 4.320 0.004 0.000 0.205 346 K C 2.668 179.226 176.600 -0.071 0.000 1.049 346 K CA 0.991 56.930 56.287 -0.580 0.000 0.939 346 K CB -0.573 31.707 32.500 -0.367 0.000 0.717 346 K HN 0.358 nan 8.250 nan 0.000 0.438 347 A N 1.479 124.284 122.820 -0.026 0.000 1.908 347 A HA -0.149 4.173 4.320 0.004 0.000 0.218 347 A C 2.126 179.729 177.584 0.031 0.000 1.181 347 A CA 1.375 53.418 52.037 0.009 0.000 0.627 347 A CB -0.686 18.280 19.000 -0.057 0.000 0.818 347 A HN 0.326 nan 8.150 nan 0.000 0.445 348 L N -0.700 120.513 121.223 -0.016 0.000 2.046 348 L HA -0.183 4.159 4.340 0.004 0.000 0.208 348 L C 2.834 179.644 176.870 -0.100 0.000 1.077 348 L CA 1.780 56.600 54.840 -0.034 0.000 0.747 348 L CB -0.957 41.082 42.059 -0.033 0.000 0.896 348 L HN 0.377 nan 8.230 nan 0.000 0.432 349 T N -0.223 114.216 114.554 -0.190 0.000 2.635 349 T HA -0.222 4.130 4.350 0.004 0.000 0.267 349 T C 1.619 175.977 174.700 -0.569 0.000 1.040 349 T CA 1.760 63.581 62.100 -0.466 0.000 1.156 349 T CB -0.450 68.022 68.868 -0.661 0.000 0.863 349 T HN 0.114 nan 8.240 nan 0.000 0.430 350 F N 0.851 120.585 119.950 -0.360 0.000 2.113 350 F HA 0.015 4.544 4.527 0.004 0.000 0.297 350 F C 2.577 178.351 175.800 -0.042 0.000 1.103 350 F CA 1.110 59.045 58.000 -0.109 0.000 1.248 350 F CB -0.529 38.441 39.000 -0.050 0.000 0.999 350 F HN 0.065 nan 8.300 nan 0.000 0.475 351 M N -0.796 118.882 119.600 0.130 0.000 2.080 351 M HA -0.230 4.253 4.480 0.004 0.000 0.260 351 M C 2.054 178.372 176.300 0.030 0.000 1.068 351 M CA 1.571 56.918 55.300 0.077 0.000 1.109 351 M CB -0.604 32.034 32.600 0.063 0.000 1.342 351 M HN 0.111 nan 8.290 nan 0.000 0.405 352 L N 0.045 121.252 121.223 -0.025 0.000 2.109 352 L HA -0.027 4.316 4.340 0.004 0.000 0.207 352 L C 2.735 179.588 176.870 -0.029 0.000 1.086 352 L CA 1.746 56.553 54.840 -0.054 0.000 0.760 352 L CB -1.283 40.709 42.059 -0.111 0.000 0.910 352 L HN 0.237 nan 8.230 nan 0.000 0.437 353 A N -0.810 121.988 122.820 -0.036 0.000 1.972 353 A HA -0.190 4.133 4.320 0.004 0.000 0.219 353 A C 1.750 179.413 177.584 0.132 0.000 1.169 353 A CA 1.877 53.952 52.037 0.063 0.000 0.635 353 A CB -0.471 18.618 19.000 0.148 0.000 0.810 353 A HN 0.378 nan 8.150 nan 0.000 0.446 354 D N -1.925 118.551 120.400 0.127 0.000 2.339 354 D HA 0.319 4.962 4.640 0.004 0.000 0.217 354 D C 1.215 177.565 176.300 0.083 0.000 1.050 354 D CA 1.111 55.194 54.000 0.137 0.000 0.856 354 D CB 0.409 41.306 40.800 0.162 0.000 0.922 354 D HN 0.579 nan 8.370 nan 0.000 0.518 355 G N -0.275 108.573 108.800 0.079 0.000 2.183 355 G HA2 -0.225 3.738 3.960 0.004 0.000 0.168 355 G HA3 -0.225 3.738 3.960 0.004 0.000 0.168 355 G C 0.228 175.160 174.900 0.054 0.000 1.008 355 G CA -0.153 44.999 45.100 0.086 0.000 0.677 355 G HN 0.203 nan 8.290 nan 0.000 0.498 356 V N 1.255 121.184 119.914 0.025 0.000 2.572 356 V HA 0.431 4.554 4.120 0.004 0.000 0.291 356 V C 0.782 176.890 176.094 0.022 0.000 1.039 356 V CA -0.197 62.111 62.300 0.013 0.000 1.055 356 V CB 1.645 33.471 31.823 0.006 0.000 0.969 356 V HN 0.232 nan 8.190 nan 0.000 0.482 357 V N 7.783 127.725 119.914 0.046 0.000 2.357 357 V HA 0.319 4.441 4.120 0.004 0.000 0.284 357 V C -2.216 173.898 176.094 0.033 0.000 1.018 357 V CA -1.954 60.380 62.300 0.056 0.000 0.841 357 V CB 1.616 33.527 31.823 0.146 0.000 0.991 357 V HN 0.771 nan 8.190 nan 0.000 0.437 358 P HA 0.206 nan 4.420 nan 0.000 0.265 358 P C -0.114 177.194 177.300 0.014 0.000 1.193 358 P CA 0.549 63.644 63.100 -0.007 0.000 0.765 358 P CB 0.657 32.338 31.700 -0.033 0.000 0.823 359 S N 1.811 117.519 115.700 0.014 0.000 2.714 359 S HA 0.324 4.797 4.470 0.004 0.000 0.280 359 S C -0.047 174.581 174.600 0.048 0.000 1.200 359 S CA -0.736 57.483 58.200 0.033 0.000 0.900 359 S CB 0.548 63.779 63.200 0.052 0.000 1.235 359 S HN 0.232 nan 8.310 nan 0.000 0.512 360 N N 0.486 119.234 118.700 0.080 0.000 2.235 360 N HA 0.280 5.023 4.740 0.004 0.000 0.209 360 N C 0.337 175.981 175.510 0.224 0.000 1.122 360 N CA 0.680 53.829 53.050 0.165 0.000 0.845 360 N CB 0.754 39.299 38.487 0.097 0.000 1.004 360 N HN 0.693 nan 8.380 nan 0.000 0.499 364 G N -0.571 108.239 108.800 0.017 0.000 2.422 364 G HA2 -0.186 3.777 3.960 0.004 0.000 0.218 364 G HA3 -0.186 3.777 3.960 0.004 0.000 0.218 364 G C 1.358 176.283 174.900 0.042 0.000 1.146 364 G CA 1.752 46.869 45.100 0.030 0.000 0.769 364 G HN 0.694 nan 8.290 nan 0.000 0.547 365 Y N 1.140 121.399 120.300 -0.069 0.000 2.181 365 Y HA -0.038 4.514 4.550 0.004 0.000 0.288 365 Y C 2.499 178.336 175.900 -0.105 0.000 1.146 365 Y CA 1.369 59.428 58.100 -0.068 0.000 1.164 365 Y CB -0.167 38.248 38.460 -0.075 0.000 0.982 365 Y HN 0.124 nan 8.280 nan 0.000 0.515 366 L N -0.487 120.740 121.223 0.006 0.000 2.056 366 L HA -0.153 4.190 4.340 0.004 0.000 0.207 366 L C 2.815 179.625 176.870 -0.101 0.000 1.078 366 L CA 0.996 55.674 54.840 -0.270 0.000 0.749 366 L CB -1.030 40.669 42.059 -0.599 0.000 0.901 366 L HN 0.313 nan 8.230 nan 0.000 0.433 367 A N 0.405 123.208 122.820 -0.028 0.000 1.883 367 A HA -0.270 4.053 4.320 0.004 0.000 0.217 367 A C 2.424 179.979 177.584 -0.048 0.000 1.186 367 A CA 1.991 54.030 52.037 0.002 0.000 0.624 367 A CB -0.618 18.378 19.000 -0.006 0.000 0.822 367 A HN 0.362 nan 8.150 nan 0.000 0.444 368 R N -0.403 120.040 120.500 -0.095 0.000 2.083 368 R HA -0.107 4.235 4.340 0.004 0.000 0.237 368 R C 2.158 178.369 176.300 -0.147 0.000 1.137 368 R CA 1.616 57.634 56.100 -0.138 0.000 0.951 368 R CB -0.491 29.708 30.300 -0.169 0.000 0.851 368 R HN 0.550 nan 8.270 nan 0.000 0.434 369 L N 0.504 121.629 121.223 -0.163 0.000 1.990 369 L HA -0.247 4.095 4.340 0.004 0.000 0.213 369 L C 2.021 178.848 176.870 -0.073 0.000 1.072 369 L CA 1.452 56.239 54.840 -0.089 0.000 0.755 369 L CB -0.365 41.609 42.059 -0.141 0.000 0.889 369 L HN 0.292 nan 8.230 nan 0.000 0.432 370 L N -0.059 121.139 121.223 -0.041 0.000 2.042 370 L HA -0.239 4.104 4.340 0.004 0.000 0.210 370 L C 2.350 179.187 176.870 -0.055 0.000 1.076 370 L CA 1.821 56.614 54.840 -0.078 0.000 0.749 370 L CB -0.753 41.282 42.059 -0.040 0.000 0.893 370 L HN 0.279 nan 8.230 nan 0.000 0.432 371 I N -1.093 119.434 120.570 -0.072 0.000 2.142 371 I HA -0.332 3.840 4.170 0.004 0.000 0.240 371 I C 2.607 178.638 176.117 -0.143 0.000 1.078 371 I CA 1.207 62.456 61.300 -0.085 0.000 1.343 371 I CB -0.225 37.715 38.000 -0.100 0.000 1.046 371 I HN 0.218 nan 8.210 nan 0.000 0.405 372 R N 0.478 120.827 120.500 -0.253 0.000 2.075 372 R HA -0.170 4.173 4.340 0.004 0.000 0.232 372 R C 2.336 178.544 176.300 -0.154 0.000 1.126 372 R CA 1.191 57.038 56.100 -0.422 0.000 0.963 372 R CB -0.303 29.621 30.300 -0.627 0.000 0.858 372 R HN 0.263 nan 8.270 nan 0.000 0.435 373 K N 0.567 120.871 120.400 -0.159 0.000 2.032 373 K HA -0.126 4.197 4.320 0.004 0.000 0.209 373 K C 2.009 178.366 176.600 -0.405 0.000 1.048 373 K CA 1.881 57.964 56.287 -0.340 0.000 0.927 373 K CB 0.044 32.255 32.500 -0.481 0.000 0.712 373 K HN 0.026 nan 8.250 nan 0.000 0.441 374 S N 0.876 116.499 115.700 -0.128 0.000 2.383 374 S HA -0.084 4.389 4.470 0.004 0.000 0.227 374 S C 1.882 176.477 174.600 -0.008 0.000 1.026 374 S CA 1.197 59.386 58.200 -0.019 0.000 0.981 374 S CB -0.210 63.028 63.200 0.064 0.000 0.818 374 S HN 0.267 nan 8.310 nan 0.000 0.472 375 I N 1.264 121.836 120.570 0.004 0.000 2.226 375 I HA -0.176 3.996 4.170 0.004 0.000 0.245 375 I C 2.526 178.687 176.117 0.075 0.000 1.100 375 I CA 1.011 62.353 61.300 0.071 0.000 1.374 375 I CB -0.207 37.891 38.000 0.163 0.000 1.057 375 I HN 0.118 nan 8.210 nan 0.000 0.413 376 R N -0.007 120.524 120.500 0.051 0.000 2.115 376 R HA -0.116 4.227 4.340 0.004 0.000 0.230 376 R C 2.145 178.470 176.300 0.041 0.000 1.111 376 R CA 1.127 57.254 56.100 0.045 0.000 0.976 376 R CB -1.019 29.314 30.300 0.055 0.000 0.870 376 R HN 0.477 nan 8.270 nan 0.000 0.445 377 H N 0.803 119.882 119.070 0.015 0.000 2.326 377 H HA 0.037 4.595 4.556 0.004 0.000 0.301 377 H C 2.244 177.548 175.328 -0.040 0.000 1.081 377 H CA 0.901 56.929 56.048 -0.033 0.000 1.334 377 H CB -0.359 29.352 29.762 -0.086 0.000 1.385 377 H HN 0.066 nan 8.280 nan 0.000 0.504 378 L N 0.344 121.624 121.223 0.096 0.000 2.079 378 L HA -0.222 4.121 4.340 0.004 0.000 0.210 378 L C 2.771 179.656 176.870 0.024 0.000 1.081 378 L CA 1.470 56.331 54.840 0.035 0.000 0.752 378 L CB -0.247 41.829 42.059 0.028 0.000 0.896 378 L HN 0.143 nan 8.230 nan 0.000 0.433 379 R N 0.595 121.118 120.500 0.038 0.000 2.073 379 R HA -0.218 4.125 4.340 0.004 0.000 0.234 379 R C 2.149 178.460 176.300 0.018 0.000 1.134 379 R CA 1.866 57.981 56.100 0.024 0.000 0.952 379 R CB -0.438 29.880 30.300 0.029 0.000 0.850 379 R HN 0.352 nan 8.270 nan 0.000 0.433 380 E N -0.209 120.013 120.200 0.037 0.000 2.153 380 E HA -0.163 4.190 4.350 0.004 0.000 0.194 380 E C 1.661 178.257 176.600 -0.006 0.000 0.988 380 E CA 0.922 57.337 56.400 0.025 0.000 0.811 380 E CB -0.070 29.665 29.700 0.057 0.000 0.746 380 E HN 0.390 nan 8.360 nan 0.000 0.466 381 L N -0.359 120.855 121.223 -0.015 0.000 2.465 381 L HA -0.015 4.327 4.340 0.004 0.000 0.224 381 L C 1.277 178.121 176.870 -0.043 0.000 1.145 381 L CA 1.252 56.063 54.840 -0.049 0.000 0.834 381 L CB -0.345 41.673 42.059 -0.068 0.000 0.944 381 L HN 0.497 nan 8.230 nan 0.000 0.451 382 G N 0.718 109.503 108.800 -0.026 0.000 2.143 382 G HA2 -0.293 3.670 3.960 0.004 0.000 0.248 382 G HA3 -0.293 3.670 3.960 0.004 0.000 0.248 382 G C -0.041 174.844 174.900 -0.025 0.000 0.991 382 G CA 0.404 45.490 45.100 -0.024 0.000 0.689 382 G HN 0.261 nan 8.290 nan 0.000 0.522 383 L N 1.249 122.457 121.223 -0.025 0.000 2.264 383 L HA 0.592 4.935 4.340 0.004 0.000 0.287 383 L C 0.298 177.160 176.870 -0.014 0.000 1.039 383 L CA -0.838 53.986 54.840 -0.026 0.000 0.829 383 L CB 0.525 42.561 42.059 -0.038 0.000 1.211 383 L HN 0.231 nan 8.230 nan 0.000 0.427 384 E N 4.323 124.516 120.200 -0.012 0.000 1.861 384 E HA 0.351 4.704 4.350 0.004 0.000 0.263 384 E C -1.108 175.489 176.600 -0.004 0.000 1.137 384 E CA -0.088 56.309 56.400 -0.006 0.000 0.944 384 E CB 1.036 30.732 29.700 -0.007 0.000 1.092 384 E HN 0.395 nan 8.360 nan 0.000 0.420 385 V N 4.513 124.427 119.914 -0.000 0.000 2.851 385 V HA 0.342 4.465 4.120 0.004 0.000 0.307 385 V C -2.446 173.653 176.094 0.009 0.000 1.129 385 V CA -2.249 60.052 62.300 0.001 0.000 0.932 385 V CB 2.392 34.212 31.823 -0.005 0.000 1.024 385 V HN 0.456 nan 8.190 nan 0.000 0.426 386 P HA 0.116 nan 4.420 nan 0.000 0.268 386 P C 0.632 177.942 177.300 0.017 0.000 1.204 386 P CA -0.068 63.042 63.100 0.016 0.000 0.768 386 P CB 1.061 32.768 31.700 0.013 0.000 0.842 387 L N 3.603 124.840 121.223 0.023 0.000 2.127 387 L HA -0.211 4.131 4.340 0.004 0.000 0.211 387 L C 2.374 179.256 176.870 0.021 0.000 1.089 387 L CA 2.355 57.209 54.840 0.024 0.000 0.757 387 L CB -1.075 40.999 42.059 0.026 0.000 0.899 387 L HN 0.473 nan 8.230 nan 0.000 0.434 388 S N -1.564 114.142 115.700 0.011 0.000 2.400 388 S HA -0.276 4.196 4.470 0.004 0.000 0.232 388 S C 1.920 176.527 174.600 0.011 0.000 1.025 388 S CA 1.287 59.489 58.200 0.004 0.000 0.993 388 S CB -0.654 62.543 63.200 -0.004 0.000 0.808 388 S HN 0.683 nan 8.310 nan 0.000 0.478 389 E N 0.595 120.803 120.200 0.012 0.000 2.150 389 E HA -0.099 4.254 4.350 0.004 0.000 0.193 389 E C 1.655 178.264 176.600 0.014 0.000 0.985 389 E CA 1.126 57.533 56.400 0.012 0.000 0.814 389 E CB -0.049 29.656 29.700 0.007 0.000 0.752 389 E HN 0.510 nan 8.360 nan 0.000 0.466 390 I N 0.595 121.177 120.570 0.020 0.000 2.333 390 I HA -0.164 4.008 4.170 0.004 0.000 0.246 390 I C 2.443 178.601 176.117 0.069 0.000 1.106 390 I CA 0.622 61.935 61.300 0.021 0.000 1.411 390 I CB -1.260 36.759 38.000 0.031 0.000 1.082 390 I HN 0.059 nan 8.210 nan 0.000 0.420 391 V N 1.808 121.783 119.914 0.103 0.000 2.392 391 V HA -0.261 3.862 4.120 0.004 0.000 0.249 391 V C 2.848 179.006 176.094 0.106 0.000 1.059 391 V CA 1.820 64.204 62.300 0.141 0.000 1.051 391 V CB -1.209 30.639 31.823 0.042 0.000 0.658 391 V HN 0.465 nan 8.190 nan 0.000 0.455 392 A N -0.425 122.427 122.820 0.055 0.000 2.019 392 A HA -0.115 4.207 4.320 0.004 0.000 0.219 392 A C 2.184 179.810 177.584 0.071 0.000 1.164 392 A CA 1.476 53.542 52.037 0.048 0.000 0.644 392 A CB -0.464 18.552 19.000 0.027 0.000 0.805 392 A HN 0.536 nan 8.150 nan 0.000 0.449 393 L N -1.328 119.922 121.223 0.046 0.000 2.083 393 L HA -0.175 4.167 4.340 0.004 0.000 0.209 393 L C 2.595 179.535 176.870 0.115 0.000 1.083 393 L CA 1.117 55.984 54.840 0.046 0.000 0.752 393 L CB -0.733 41.304 42.059 -0.035 0.000 0.899 393 L HN 0.464 nan 8.230 nan 0.000 0.433 394 H N 0.080 119.299 119.070 0.249 0.000 2.357 394 H HA 0.039 4.598 4.556 0.004 0.000 0.301 394 H C 1.458 176.904 175.328 0.197 0.000 1.082 394 H CA 0.629 56.850 56.048 0.289 0.000 1.342 394 H CB -0.096 29.771 29.762 0.177 0.000 1.389 394 H HN 0.211 nan 8.280 nan 0.000 0.511 398 L N 2.056 123.356 121.223 0.129 0.000 2.590 398 L HA 0.229 4.571 4.340 0.004 0.000 0.227 398 L C 2.105 179.099 176.870 0.208 0.000 1.099 398 L CA 0.690 55.689 54.840 0.265 0.000 0.872 398 L CB -0.286 42.107 42.059 0.558 0.000 1.088 398 L HN 0.330 nan 8.230 nan 0.000 0.479 399 H N 0.247 119.431 119.070 0.189 0.000 2.491 399 H HA -0.133 4.426 4.556 0.004 0.000 0.290 399 H C 1.773 177.100 175.328 -0.001 0.000 1.050 399 H CA 0.986 57.099 56.048 0.109 0.000 1.309 399 H CB 0.099 29.946 29.762 0.141 0.000 1.392 399 H HN 0.318 nan 8.280 nan 0.000 0.554 400 K N 0.861 121.002 120.400 -0.430 0.000 2.025 400 K HA -0.084 4.238 4.320 0.004 0.000 0.207 400 K C 1.917 178.382 176.600 -0.226 0.000 1.049 400 K CA 1.763 57.877 56.287 -0.288 0.000 0.933 400 K CB 0.179 32.503 32.500 -0.293 0.000 0.714 400 K HN 0.249 nan 8.250 nan 0.000 0.438 401 T N 0.018 114.398 114.554 -0.289 0.000 2.896 401 T HA -0.015 4.338 4.350 0.004 0.000 0.263 401 T C 0.158 174.380 174.700 -0.798 0.000 1.050 401 T CA 0.854 62.637 62.100 -0.527 0.000 1.140 401 T CB -0.011 68.484 68.868 -0.622 0.000 0.877 401 T HN 0.043 nan 8.240 nan 0.000 0.457 402 F N 1.690 121.445 119.950 -0.326 0.000 2.366 402 F HA 0.351 4.881 4.527 0.004 0.000 0.357 402 F C -1.836 173.702 175.800 -0.435 0.000 1.107 402 F CA -2.772 54.878 58.000 -0.584 0.000 1.208 402 F CB 1.325 39.486 39.000 -1.398 0.000 1.464 402 F HN -0.076 nan 8.300 nan 0.000 0.501 403 P HA -0.246 nan 4.420 nan 0.000 0.218 403 P C 1.366 178.709 177.300 0.071 0.000 1.146 403 P CA 1.522 64.642 63.100 0.034 0.000 0.813 403 P CB 0.198 31.908 31.700 0.017 0.000 0.778 404 E N -0.834 119.392 120.200 0.043 0.000 2.267 404 E HA -0.158 4.194 4.350 0.004 0.000 0.197 404 E C 0.804 177.565 176.600 0.269 0.000 0.998 404 E CA 0.609 57.085 56.400 0.126 0.000 0.830 404 E CB -0.818 28.960 29.700 0.129 0.000 0.751 404 E HN 0.141 nan 8.360 nan 0.000 0.491 408 M N 1.488 121.143 119.600 0.091 0.000 2.495 408 M HA 0.137 4.620 4.480 0.004 0.000 0.237 408 M C 1.745 178.059 176.300 0.023 0.000 1.131 408 M CA 0.850 56.193 55.300 0.072 0.000 1.032 408 M CB -0.236 32.417 32.600 0.089 0.000 1.513 408 M HN 0.196 nan 8.290 nan 0.000 0.488 409 E N 1.425 121.639 120.200 0.022 0.000 2.065 409 E HA -0.258 4.095 4.350 0.004 0.000 0.201 409 E C 1.102 177.684 176.600 -0.029 0.000 1.016 409 E CA 1.954 58.349 56.400 -0.010 0.000 0.818 409 E CB 0.243 29.937 29.700 -0.010 0.000 0.749 409 E HN 0.371 nan 8.360 nan 0.000 0.453 410 D N 0.243 120.637 120.400 -0.011 0.000 2.123 410 D HA -0.167 4.476 4.640 0.004 0.000 0.196 410 D C 2.123 178.396 176.300 -0.045 0.000 0.992 410 D CA 1.111 55.105 54.000 -0.011 0.000 0.833 410 D CB -0.253 40.559 40.800 0.020 0.000 0.954 410 D HN 0.337 nan 8.370 nan 0.000 0.455 411 I N 0.648 121.184 120.570 -0.057 0.000 2.252 411 I HA -0.222 3.951 4.170 0.004 0.000 0.245 411 I C 2.433 178.370 176.117 -0.300 0.000 1.102 411 I CA 0.618 61.808 61.300 -0.183 0.000 1.385 411 I CB -0.079 37.857 38.000 -0.107 0.000 1.064 411 I HN -0.057 nan 8.210 nan 0.000 0.414 412 I N 0.459 120.917 120.570 -0.187 0.000 2.127 412 I HA -0.335 3.837 4.170 0.004 0.000 0.241 412 I C 2.402 178.418 176.117 -0.168 0.000 1.075 412 I CA 1.655 62.844 61.300 -0.184 0.000 1.334 412 I CB -0.323 37.593 38.000 -0.141 0.000 1.040 412 I HN 0.188 nan 8.210 nan 0.000 0.405 413 L N 0.050 121.202 121.223 -0.118 0.000 2.141 413 L HA -0.201 4.142 4.340 0.004 0.000 0.209 413 L C 2.558 179.375 176.870 -0.090 0.000 1.094 413 L CA 1.243 56.033 54.840 -0.082 0.000 0.763 413 L CB -0.597 41.434 42.059 -0.046 0.000 0.908 413 L HN 0.346 nan 8.230 nan 0.000 0.437 414 E N 0.488 120.615 120.200 -0.121 0.000 2.072 414 E HA -0.226 4.127 4.350 0.004 0.000 0.191 414 E C 2.381 178.891 176.600 -0.150 0.000 0.985 414 E CA 1.057 57.397 56.400 -0.100 0.000 0.801 414 E CB 0.007 29.671 29.700 -0.060 0.000 0.750 414 E HN 0.390 nan 8.360 nan 0.000 0.452 415 M N 0.491 119.898 119.600 -0.322 0.000 2.082 415 M HA -0.220 4.263 4.480 0.004 0.000 0.258 415 M C 2.234 178.454 176.300 -0.134 0.000 1.069 415 M CA 1.237 56.360 55.300 -0.295 0.000 1.102 415 M CB -0.262 32.095 32.600 -0.404 0.000 1.336 415 M HN 0.238 nan 8.290 nan 0.000 0.404 416 I N 0.208 120.709 120.570 -0.115 0.000 2.163 416 I HA -0.258 3.915 4.170 0.004 0.000 0.243 416 I C 2.140 178.239 176.117 -0.030 0.000 1.085 416 I CA 1.809 63.072 61.300 -0.062 0.000 1.347 416 I CB -1.405 36.566 38.000 -0.050 0.000 1.044 416 I HN 0.392 nan 8.210 nan 0.000 0.408 417 E N 0.635 120.818 120.200 -0.028 0.000 2.077 417 E HA -0.179 4.173 4.350 0.004 0.000 0.193 417 E C 2.450 179.058 176.600 0.013 0.000 0.989 417 E CA 0.912 57.311 56.400 -0.001 0.000 0.800 417 E CB -0.079 29.621 29.700 -0.000 0.000 0.746 417 E HN 0.412 nan 8.360 nan 0.000 0.452 418 L N 0.964 122.194 121.223 0.011 0.000 2.056 418 L HA -0.183 4.160 4.340 0.004 0.000 0.207 418 L C 2.448 179.337 176.870 0.032 0.000 1.078 418 L CA 0.882 55.741 54.840 0.032 0.000 0.749 418 L CB -0.251 41.843 42.059 0.058 0.000 0.901 418 L HN 0.094 nan 8.230 nan 0.000 0.433 419 E N -0.078 120.130 120.200 0.013 0.000 2.110 419 E HA -0.266 4.087 4.350 0.004 0.000 0.193 419 E C 1.959 178.592 176.600 0.054 0.000 0.988 419 E CA 1.204 57.612 56.400 0.013 0.000 0.804 419 E CB 0.049 29.731 29.700 -0.029 0.000 0.745 419 E HN 0.520 nan 8.360 nan 0.000 0.458 420 E N 1.175 121.409 120.200 0.057 0.000 2.046 420 E HA -0.096 4.256 4.350 0.004 0.000 0.190 420 E C 1.270 177.937 176.600 0.112 0.000 0.982 420 E CA 0.547 57.008 56.400 0.102 0.000 0.800 420 E CB 0.137 29.877 29.700 0.067 0.000 0.756 420 E HN -0.047 nan 8.360 nan 0.000 0.449 424 A N 0.762 123.556 122.820 -0.043 0.000 1.902 424 A HA -0.156 4.166 4.320 0.004 0.000 0.217 424 A C 1.910 179.432 177.584 -0.104 0.000 1.181 424 A CA 2.318 54.280 52.037 -0.125 0.000 0.623 424 A CB -0.475 18.496 19.000 -0.048 0.000 0.818 424 A HN 0.476 nan 8.150 nan 0.000 0.443 425 E N -0.407 119.769 120.200 -0.040 0.000 2.107 425 E HA -0.080 4.273 4.350 0.004 0.000 0.191 425 E C 1.971 178.557 176.600 -0.023 0.000 0.982 425 E CA 1.753 58.139 56.400 -0.024 0.000 0.809 425 E CB -0.547 29.154 29.700 0.001 0.000 0.756 425 E HN 0.494 nan 8.360 nan 0.000 0.459 426 T N 0.973 115.525 114.554 -0.003 0.000 2.699 426 T HA -0.167 4.185 4.350 0.004 0.000 0.268 426 T C 1.521 176.203 174.700 -0.030 0.000 1.036 426 T CA 1.280 63.395 62.100 0.025 0.000 1.147 426 T CB -0.257 68.691 68.868 0.134 0.000 0.862 426 T HN 0.070 nan 8.240 nan 0.000 0.446 427 L N 0.680 121.807 121.223 -0.160 0.000 2.156 427 L HA 0.101 4.443 4.340 0.004 0.000 0.208 427 L C 2.514 179.315 176.870 -0.114 0.000 1.095 427 L CA 1.371 56.095 54.840 -0.194 0.000 0.770 427 L CB -0.594 41.242 42.059 -0.372 0.000 0.914 427 L HN 0.143 nan 8.230 nan 0.000 0.439 428 R N -0.957 119.487 120.500 -0.092 0.000 2.070 428 R HA -0.141 4.201 4.340 0.004 0.000 0.232 428 R C 2.358 178.634 176.300 -0.041 0.000 1.138 428 R CA 1.507 57.569 56.100 -0.062 0.000 0.936 428 R CB -0.410 29.862 30.300 -0.047 0.000 0.839 428 R HN 0.276 nan 8.270 nan 0.000 0.429 429 R N -0.164 120.325 120.500 -0.018 0.000 2.081 429 R HA -0.107 4.236 4.340 0.004 0.000 0.235 429 R C 2.424 178.731 176.300 0.012 0.000 1.131 429 R CA 1.457 57.561 56.100 0.006 0.000 0.960 429 R CB -0.576 29.742 30.300 0.030 0.000 0.856 429 R HN 0.375 nan 8.270 nan 0.000 0.436 430 G N -0.072 108.740 108.800 0.020 0.000 2.421 430 G HA2 -0.264 3.698 3.960 0.004 0.000 0.216 430 G HA3 -0.264 3.698 3.960 0.004 0.000 0.216 430 G C 1.461 176.302 174.900 -0.098 0.000 1.171 430 G CA 0.924 46.029 45.100 0.007 0.000 0.775 430 G HN 0.250 nan 8.290 nan 0.000 0.543 431 S N 0.313 115.957 115.700 -0.092 0.000 2.387 431 S HA -0.152 4.321 4.470 0.004 0.000 0.230 431 S C 1.993 176.527 174.600 -0.110 0.000 1.035 431 S CA 1.409 59.539 58.200 -0.116 0.000 1.014 431 S CB -0.283 62.860 63.200 -0.095 0.000 0.836 431 S HN 0.434 nan 8.310 nan 0.000 0.466 432 D N 0.936 121.290 120.400 -0.077 0.000 2.123 432 D HA 0.010 4.653 4.640 0.004 0.000 0.200 432 D C 1.887 178.148 176.300 -0.064 0.000 0.976 432 D CA 0.769 54.734 54.000 -0.059 0.000 0.831 432 D CB -0.040 40.740 40.800 -0.034 0.000 0.974 432 D HN 0.309 nan 8.370 nan 0.000 0.469 433 L N 0.139 121.320 121.223 -0.069 0.000 2.156 433 L HA -0.103 4.240 4.340 0.004 0.000 0.208 433 L C 2.580 179.367 176.870 -0.138 0.000 1.095 433 L CA 0.317 55.117 54.840 -0.068 0.000 0.770 433 L CB -0.057 41.996 42.059 -0.010 0.000 0.914 433 L HN -0.073 nan 8.230 nan 0.000 0.439 434 V N -0.311 119.454 119.914 -0.249 0.000 2.379 434 V HA -0.248 3.874 4.120 0.004 0.000 0.245 434 V C 2.612 178.577 176.094 -0.217 0.000 1.044 434 V CA 1.570 63.670 62.300 -0.333 0.000 1.036 434 V CB -0.602 30.870 31.823 -0.585 0.000 0.664 434 V HN 0.428 nan 8.190 nan 0.000 0.453 435 R N 0.156 120.556 120.500 -0.167 0.000 2.103 435 R HA -0.216 4.126 4.340 0.004 0.000 0.242 435 R C 2.508 178.771 176.300 -0.062 0.000 1.142 435 R CA 1.896 57.931 56.100 -0.109 0.000 0.960 435 R CB -0.154 30.094 30.300 -0.086 0.000 0.858 435 R HN 0.468 nan 8.270 nan 0.000 0.439 436 R N -0.166 120.308 120.500 -0.044 0.000 2.073 436 R HA -0.068 4.275 4.340 0.004 0.000 0.229 436 R C 2.197 178.504 176.300 0.012 0.000 1.120 436 R CA 1.566 57.659 56.100 -0.012 0.000 0.967 436 R CB -0.129 30.170 30.300 -0.002 0.000 0.862 436 R HN 0.393 nan 8.270 nan 0.000 0.436 437 E N 0.820 121.040 120.200 0.033 0.000 2.152 437 E HA -0.127 4.226 4.350 0.004 0.000 0.192 437 E C 2.051 178.710 176.600 0.098 0.000 0.983 437 E CA 1.122 57.577 56.400 0.092 0.000 0.818 437 E CB -0.001 29.813 29.700 0.191 0.000 0.758 437 E HN 0.478 nan 8.360 nan 0.000 0.467 438 I N -2.290 118.314 120.570 0.057 0.000 2.876 438 I HA 0.104 4.276 4.170 0.004 0.000 0.264 438 I C 2.300 178.426 176.117 0.015 0.000 1.204 438 I CA 0.641 61.965 61.300 0.040 0.000 1.485 438 I CB -0.050 37.935 38.000 -0.025 0.000 1.103 438 I HN -0.134 nan 8.210 nan 0.000 0.446 439 A N 3.257 126.079 122.820 0.002 0.000 1.897 439 A HA -0.183 4.139 4.320 0.004 0.000 0.215 439 A C 2.445 180.035 177.584 0.010 0.000 1.181 439 A CA 1.937 53.973 52.037 -0.001 0.000 0.620 439 A CB -0.550 18.445 19.000 -0.008 0.000 0.821 439 A HN 0.652 nan 8.150 nan 0.000 0.443 440 K N -0.882 119.529 120.400 0.018 0.000 2.148 440 K HA 0.033 4.355 4.320 0.004 0.000 0.204 440 K C 1.594 178.208 176.600 0.024 0.000 1.050 440 K CA 1.441 57.741 56.287 0.021 0.000 0.942 440 K CB -0.358 32.157 32.500 0.025 0.000 0.724 440 K HN 0.254 nan 8.250 nan 0.000 0.446 441 L N 1.014 122.257 121.223 0.033 0.000 2.240 441 L HA 0.071 4.414 4.340 0.004 0.000 0.211 441 L C 2.315 179.201 176.870 0.026 0.000 1.106 441 L CA 1.318 56.179 54.840 0.036 0.000 0.793 441 L CB -0.056 42.037 42.059 0.057 0.000 0.927 441 L HN 0.170 nan 8.230 nan 0.000 0.446 442 K N -0.524 119.888 120.400 0.020 0.000 2.242 442 K HA -0.067 4.255 4.320 0.004 0.000 0.200 442 K C 2.066 178.671 176.600 0.008 0.000 1.050 442 K CA 0.372 56.667 56.287 0.013 0.000 0.981 442 K CB 0.157 32.661 32.500 0.007 0.000 0.795 442 K HN 0.092 nan 8.250 nan 0.000 0.477 443 K N 1.345 121.750 120.400 0.008 0.000 2.097 443 K HA -0.139 4.184 4.320 0.004 0.000 0.206 443 K C 1.861 178.464 176.600 0.006 0.000 1.049 443 K CA 1.148 57.438 56.287 0.005 0.000 0.933 443 K CB 0.155 32.658 32.500 0.005 0.000 0.717 443 K HN -0.082 nan 8.250 nan 0.000 0.442 444 K N -0.092 120.314 120.400 0.009 0.000 2.021 444 K HA -0.031 4.292 4.320 0.004 0.000 0.205 444 K C 0.174 176.779 176.600 0.008 0.000 1.047 444 K CA 1.306 57.598 56.287 0.009 0.000 0.943 444 K CB -0.119 32.388 32.500 0.011 0.000 0.725 444 K HN 0.388 nan 8.250 nan 0.000 0.439 445 G N 0.908 109.714 108.800 0.010 0.000 3.071 445 G HA2 -0.044 3.919 3.960 0.004 0.000 0.620 445 G HA3 -0.044 3.919 3.960 0.004 0.000 0.620 445 G C -0.187 174.720 174.900 0.011 0.000 1.204 445 G CA -0.169 44.937 45.100 0.009 0.000 1.200 445 G HN 0.274 nan 8.290 nan 0.000 0.530 446 I N 0.385 120.963 120.570 0.013 0.000 5.294 446 I HA 0.205 4.377 4.170 0.004 0.000 0.370 446 I C 1.124 177.251 176.117 0.016 0.000 1.158 446 I CA 0.647 61.956 61.300 0.015 0.000 1.569 446 I CB -0.040 37.971 38.000 0.018 0.000 1.944 446 I HN 0.759 nan 8.210 nan 0.000 0.654 447 K N 1.135 121.545 120.400 0.016 0.000 1.860 447 K HA -0.315 4.007 4.320 0.004 0.000 0.320 447 K C 0.113 176.726 176.600 0.022 0.000 1.716 447 K CA 1.447 57.743 56.287 0.015 0.000 0.609 447 K CB -0.962 31.545 32.500 0.011 0.000 0.915 447 K HN 0.359 nan 8.250 nan 0.000 0.766 448 E N 1.368 121.580 120.200 0.020 0.000 3.495 448 E HA -0.188 4.164 4.350 0.004 0.000 0.272 448 E C -0.655 175.970 176.600 0.041 0.000 0.845 448 E CA 0.319 56.734 56.400 0.025 0.000 0.974 448 E CB -0.018 29.694 29.700 0.020 0.000 0.919 448 E HN 0.228 nan 8.360 nan 0.000 0.556 449 I N 8.245 128.848 120.570 0.055 0.000 2.505 449 I HA 0.107 4.280 4.170 0.004 0.000 0.287 449 I C -1.530 174.637 176.117 0.083 0.000 1.104 449 I CA -1.598 59.758 61.300 0.094 0.000 1.387 449 I CB 0.322 38.410 38.000 0.147 0.000 1.404 449 I HN 0.478 nan 8.210 nan 0.000 0.528 450 P HA -0.003 nan 4.420 nan 0.000 0.274 450 P C 0.855 178.203 177.300 0.080 0.000 1.246 450 P CA -0.302 62.834 63.100 0.060 0.000 0.795 450 P CB 1.406 33.130 31.700 0.041 0.000 1.006 451 V N 0.390 120.350 119.914 0.076 0.000 2.392 451 V HA -0.219 3.904 4.120 0.004 0.000 0.249 451 V C 0.916 177.076 176.094 0.110 0.000 1.059 451 V CA 1.971 64.336 62.300 0.109 0.000 1.051 451 V CB -0.987 30.893 31.823 0.095 0.000 0.658 451 V HN 0.583 nan 8.190 nan 0.000 0.455 455 V N 0.629 120.769 119.914 0.377 0.000 2.307 455 V HA -0.218 3.905 4.120 0.004 0.000 0.245 455 V C 2.532 178.763 176.094 0.227 0.000 1.045 455 V CA 2.623 65.082 62.300 0.265 0.000 1.024 455 V CB -0.870 30.981 31.823 0.046 0.000 0.651 455 V HN 0.700 nan 8.190 nan 0.000 0.449 456 T N -2.443 112.166 114.554 0.092 0.000 2.962 456 T HA -0.133 4.220 4.350 0.004 0.000 0.270 456 T C 1.765 176.542 174.700 0.127 0.000 1.088 456 T CA 1.190 63.312 62.100 0.035 0.000 1.127 456 T CB -0.609 68.201 68.868 -0.096 0.000 0.883 456 T HN 0.395 nan 8.240 nan 0.000 0.493 457 F N 0.132 120.232 119.950 0.249 0.000 2.171 457 F HA 0.011 4.541 4.527 0.004 0.000 0.300 457 F C 2.416 178.398 175.800 0.303 0.000 1.090 457 F CA 0.942 59.109 58.000 0.278 0.000 1.293 457 F CB -0.351 38.749 39.000 0.166 0.000 1.013 457 F HN 0.123 nan 8.300 nan 0.000 0.486 458 Y N 1.249 121.806 120.300 0.429 0.000 2.133 458 Y HA -0.187 4.366 4.550 0.004 0.000 0.287 458 Y C 2.210 178.245 175.900 0.224 0.000 1.134 458 Y CA 1.760 60.059 58.100 0.332 0.000 1.133 458 Y CB -0.547 38.142 38.460 0.381 0.000 0.987 458 Y HN 0.030 nan 8.280 nan 0.000 0.502 459 E N -0.601 119.707 120.200 0.180 0.000 2.150 459 E HA -0.143 4.210 4.350 0.004 0.000 0.193 459 E C 2.157 178.729 176.600 -0.048 0.000 0.985 459 E CA 1.408 57.855 56.400 0.079 0.000 0.814 459 E CB -0.086 29.736 29.700 0.204 0.000 0.752 459 E HN 0.398 nan 8.360 nan 0.000 0.466 460 S N -0.415 115.257 115.700 -0.047 0.000 2.456 460 S HA 0.002 4.475 4.470 0.004 0.000 0.224 460 S C 1.170 175.541 174.600 -0.382 0.000 1.035 460 S CA 0.572 58.632 58.200 -0.234 0.000 0.940 460 S CB 0.080 63.088 63.200 -0.320 0.000 0.799 460 S HN 0.335 nan 8.310 nan 0.000 0.508 461 H N -0.617 118.466 119.070 0.023 0.000 3.046 461 H HA 0.392 4.951 4.556 0.004 0.000 0.262 461 H C 1.496 176.821 175.328 -0.006 0.000 1.044 461 H CA 0.281 56.351 56.048 0.036 0.000 1.209 461 H CB 0.575 30.405 29.762 0.113 0.000 1.507 461 H HN 0.394 nan 8.280 nan 0.000 0.507 462 G N 0.867 109.638 108.800 -0.049 0.000 2.162 462 G HA2 -0.254 3.708 3.960 0.004 0.000 0.260 462 G HA3 -0.254 3.708 3.960 0.004 0.000 0.260 462 G C -0.141 174.883 174.900 0.205 0.000 0.976 462 G CA -0.098 44.932 45.100 -0.118 0.000 0.655 462 G HN 0.154 nan 8.290 nan 0.000 0.533 463 L N 2.707 124.071 121.223 0.236 0.000 2.315 463 L HA 0.337 4.679 4.340 0.004 0.000 0.283 463 L C 1.543 178.637 176.870 0.373 0.000 1.089 463 L CA 0.843 55.833 54.840 0.250 0.000 0.833 463 L CB -0.038 42.084 42.059 0.106 0.000 1.170 463 L HN 0.455 nan 8.230 nan 0.000 0.442 464 T N 2.119 116.897 114.554 0.373 0.000 2.918 464 T HA 0.192 4.545 4.350 0.004 0.000 0.302 464 T C -1.381 173.326 174.700 0.011 0.000 1.045 464 T CA -1.325 60.936 62.100 0.268 0.000 1.114 464 T CB 0.838 69.890 68.868 0.306 0.000 0.965 464 T HN 0.455 nan 8.240 nan 0.000 0.540 465 P HA -0.147 nan 4.420 nan 0.000 0.222 465 P C 1.346 178.533 177.300 -0.188 0.000 1.147 465 P CA 0.982 63.870 63.100 -0.354 0.000 0.790 465 P CB 0.131 31.361 31.700 -0.783 0.000 0.780 466 E N 0.989 121.123 120.200 -0.110 0.000 2.285 466 E HA -0.102 4.251 4.350 0.004 0.000 0.194 466 E C 1.883 178.450 176.600 -0.057 0.000 0.997 466 E CA 0.717 57.079 56.400 -0.063 0.000 0.845 466 E CB -0.923 28.769 29.700 -0.013 0.000 0.782 466 E HN 0.296 nan 8.360 nan 0.000 0.491 467 I N 1.307 121.846 120.570 -0.051 0.000 2.286 467 I HA -0.104 4.069 4.170 0.004 0.000 0.245 467 I C 1.514 177.567 176.117 -0.107 0.000 1.104 467 I CA 0.217 61.478 61.300 -0.064 0.000 1.397 467 I CB -0.233 37.737 38.000 -0.049 0.000 1.072 467 I HN -0.155 nan 8.210 nan 0.000 0.417 471 I N 2.571 123.086 120.570 -0.093 0.000 2.252 471 I HA -0.038 4.135 4.170 0.004 0.000 0.245 471 I C 2.799 178.857 176.117 -0.098 0.000 1.102 471 I CA 1.770 63.008 61.300 -0.104 0.000 1.385 471 I CB -1.295 36.618 38.000 -0.144 0.000 1.064 471 I HN 0.334 nan 8.210 nan 0.000 0.414 472 A N 0.708 123.466 122.820 -0.104 0.000 1.877 472 A HA -0.195 4.128 4.320 0.004 0.000 0.216 472 A C 2.229 179.780 177.584 -0.054 0.000 1.186 472 A CA 1.504 53.492 52.037 -0.081 0.000 0.620 472 A CB -0.663 18.291 19.000 -0.077 0.000 0.822 472 A HN 0.453 nan 8.150 nan 0.000 0.443 473 E N -0.400 119.770 120.200 -0.050 0.000 2.268 473 E HA -0.116 4.236 4.350 0.004 0.000 0.195 473 E C 1.835 178.414 176.600 -0.035 0.000 0.995 473 E CA 0.952 57.330 56.400 -0.038 0.000 0.836 473 E CB -0.040 29.638 29.700 -0.036 0.000 0.763 473 E HN 0.569 nan 8.360 nan 0.000 0.491 474 K N 0.360 120.736 120.400 -0.041 0.000 2.243 474 K HA -0.029 4.293 4.320 0.004 0.000 0.201 474 K C 1.494 178.074 176.600 -0.034 0.000 1.051 474 K CA 0.566 56.831 56.287 -0.036 0.000 0.970 474 K CB 0.328 32.804 32.500 -0.041 0.000 0.755 474 K HN -0.018 nan 8.250 nan 0.000 0.465 475 E N -0.287 119.890 120.200 -0.038 0.000 2.442 475 E HA 0.010 4.362 4.350 0.004 0.000 0.195 475 E C 0.775 177.361 176.600 -0.023 0.000 1.030 475 E CA 0.484 56.866 56.400 -0.031 0.000 0.869 475 E CB 0.701 30.379 29.700 -0.036 0.000 0.857 475 E HN 0.440 nan 8.360 nan 0.000 0.505 476 G N 1.013 109.799 108.800 -0.023 0.000 2.164 476 G HA2 -0.212 3.750 3.960 0.004 0.000 0.212 476 G HA3 -0.212 3.750 3.960 0.004 0.000 0.212 476 G C -0.219 174.673 174.900 -0.014 0.000 1.031 476 G CA 0.331 45.421 45.100 -0.017 0.000 0.730 476 G HN 0.218 nan 8.290 nan 0.000 0.501 477 V N -0.672 119.232 119.914 -0.017 0.000 2.876 477 V HA 0.861 4.983 4.120 0.004 0.000 0.312 477 V C -0.183 175.903 176.094 -0.014 0.000 1.085 477 V CA -0.891 61.403 62.300 -0.010 0.000 0.945 477 V CB 2.006 33.827 31.823 -0.003 0.000 1.017 477 V HN 0.574 nan 8.190 nan 0.000 0.428 478 K N 4.538 124.934 120.400 -0.007 0.000 2.130 478 K HA 0.740 5.063 4.320 0.004 0.000 0.268 478 K C -1.014 175.584 176.600 -0.004 0.000 0.983 478 K CA -0.147 56.135 56.287 -0.009 0.000 0.893 478 K CB 1.717 34.213 32.500 -0.006 0.000 1.066 478 K HN 0.933 nan 8.250 nan 0.000 0.450 479 V N 1.206 121.112 119.914 -0.013 0.000 2.789 479 V HA 0.605 4.728 4.120 0.004 0.000 0.311 479 V C -1.501 174.582 176.094 -0.019 0.000 1.073 479 V CA -0.803 61.492 62.300 -0.009 0.000 0.921 479 V CB 1.909 33.722 31.823 -0.016 0.000 1.009 479 V HN 0.898 nan 8.190 nan 0.000 0.426 480 N N 3.845 122.539 118.700 -0.010 0.000 2.446 480 N HA 0.569 5.312 4.740 0.004 0.000 0.265 480 N C -0.583 174.913 175.510 -0.024 0.000 0.975 480 N CA -0.635 52.405 53.050 -0.015 0.000 0.928 480 N CB 1.096 39.582 38.487 -0.003 0.000 1.160 480 N HN 0.831 nan 8.380 nan 0.000 0.495 481 I N 4.503 125.042 120.570 -0.052 0.000 2.505 481 I HA 0.178 4.350 4.170 0.004 0.000 0.287 481 I C -1.752 174.357 176.117 -0.013 0.000 1.104 481 I CA -1.538 59.710 61.300 -0.086 0.000 1.387 481 I CB 0.344 38.269 38.000 -0.125 0.000 1.404 481 I HN 0.386 nan 8.210 nan 0.000 0.528 482 P HA 0.075 nan 4.420 nan 0.000 0.271 482 P C 0.062 177.423 177.300 0.102 0.000 1.218 482 P CA -0.266 62.885 63.100 0.086 0.000 0.780 482 P CB 0.656 32.440 31.700 0.140 0.000 0.901 483 D N 1.217 121.666 120.400 0.081 0.000 2.218 483 D HA -0.126 4.517 4.640 0.004 0.000 0.204 483 D C 0.813 177.187 176.300 0.123 0.000 0.976 483 D CA 1.388 55.441 54.000 0.088 0.000 0.853 483 D CB -0.299 40.538 40.800 0.061 0.000 0.939 483 D HN 0.489 nan 8.370 nan 0.000 0.481 484 N N -0.133 118.639 118.700 0.121 0.000 2.380 484 N HA -0.036 4.707 4.740 0.004 0.000 0.255 484 N C 0.875 176.453 175.510 0.113 0.000 1.158 484 N CA -0.464 52.654 53.050 0.114 0.000 0.878 484 N CB -0.779 37.752 38.487 0.073 0.000 1.138 484 N HN 0.016 nan 8.380 nan 0.000 0.509 485 F N 0.977 120.916 119.950 -0.018 0.000 2.095 485 F HA -0.092 4.438 4.527 0.004 0.000 0.298 485 F C 1.175 176.855 175.800 -0.201 0.000 1.104 485 F CA 1.486 59.398 58.000 -0.147 0.000 1.232 485 F CB -0.057 38.775 39.000 -0.280 0.000 0.987 485 F HN 0.035 nan 8.300 nan 0.000 0.475 486 Y N -1.017 119.303 120.300 0.033 0.000 2.395 486 Y HA -0.121 4.432 4.550 0.004 0.000 0.293 486 Y C 2.906 178.767 175.900 -0.065 0.000 1.123 486 Y CA 1.224 59.278 58.100 -0.077 0.000 1.227 486 Y CB -0.801 37.699 38.460 0.067 0.000 1.012 486 Y HN 0.146 nan 8.280 nan 0.000 0.552 487 S N 0.130 115.902 115.700 0.121 0.000 2.382 487 S HA -0.219 4.254 4.470 0.004 0.000 0.228 487 S C 1.961 176.558 174.600 -0.004 0.000 1.027 487 S CA 1.404 59.654 58.200 0.084 0.000 0.991 487 S CB -0.266 62.979 63.200 0.075 0.000 0.823 487 S HN 0.434 nan 8.310 nan 0.000 0.469 488 M N 1.156 120.699 119.600 -0.096 0.000 2.099 488 M HA -0.062 4.420 4.480 0.004 0.000 0.262 488 M C 2.274 178.465 176.300 -0.180 0.000 1.067 488 M CA 1.786 56.999 55.300 -0.144 0.000 1.124 488 M CB -0.686 31.799 32.600 -0.192 0.000 1.353 488 M HN 0.462 nan 8.290 nan 0.000 0.410 489 V N -1.811 117.919 119.914 -0.306 0.000 2.515 489 V HA -0.061 4.061 4.120 0.004 0.000 0.250 489 V C 2.375 178.503 176.094 0.057 0.000 1.058 489 V CA 1.569 63.751 62.300 -0.197 0.000 1.064 489 V CB -1.723 29.829 31.823 -0.451 0.000 0.675 489 V HN 0.372 nan 8.190 nan 0.000 0.461 490 A N 0.136 122.972 122.820 0.028 0.000 1.978 490 A HA -0.152 4.171 4.320 0.004 0.000 0.220 490 A C 2.262 179.810 177.584 -0.060 0.000 1.170 490 A CA 1.833 53.888 52.037 0.031 0.000 0.636 490 A CB -0.576 18.453 19.000 0.048 0.000 0.810 490 A HN 0.479 nan 8.150 nan 0.000 0.448 491 K N -0.375 119.985 120.400 -0.067 0.000 2.209 491 K HA -0.155 4.168 4.320 0.004 0.000 0.204 491 K C 1.828 178.325 176.600 -0.171 0.000 1.048 491 K CA 1.416 57.644 56.287 -0.099 0.000 0.940 491 K CB -0.135 32.322 32.500 -0.071 0.000 0.729 491 K HN 0.601 nan 8.250 nan 0.000 0.451 492 E N 1.160 121.224 120.200 -0.226 0.000 2.160 492 E HA -0.137 4.215 4.350 0.004 0.000 0.195 492 E C 1.625 177.905 176.600 -0.533 0.000 0.991 492 E CA 1.345 57.533 56.400 -0.352 0.000 0.810 492 E CB -0.162 29.327 29.700 -0.352 0.000 0.742 492 E HN 0.240 nan 8.360 nan 0.000 0.466 493 A N 1.095 123.518 122.820 -0.662 0.000 1.978 493 A HA -0.217 4.105 4.320 0.004 0.000 0.220 493 A C 1.689 179.097 177.584 -0.293 0.000 1.170 493 A CA 1.783 53.489 52.037 -0.551 0.000 0.636 493 A CB -0.609 18.180 19.000 -0.353 0.000 0.810 493 A HN 0.523 nan 8.150 nan 0.000 0.448 494 E N -0.659 119.408 120.200 -0.222 0.000 2.419 494 E HA 0.142 4.494 4.350 0.004 0.000 0.190 494 E C 0.397 176.919 176.600 -0.129 0.000 1.040 494 E CA -0.570 55.741 56.400 -0.149 0.000 0.900 494 E CB -0.237 29.396 29.700 -0.111 0.000 1.054 494 E HN 0.380 nan 8.360 nan 0.000 0.462 495 R N 2.702 123.110 120.500 -0.154 0.000 2.421 495 R HA 0.035 4.378 4.340 0.004 0.000 0.305 495 R C 0.189 176.432 176.300 -0.096 0.000 1.039 495 R CA 0.326 56.354 56.100 -0.119 0.000 1.003 495 R CB 0.346 30.567 30.300 -0.131 0.000 0.959 495 R HN 0.178 nan 8.270 nan 0.000 0.427 505 V N -2.698 117.080 119.914 -0.226 0.000 3.541 505 V HA 0.387 4.509 4.120 0.004 0.000 0.267 505 V C 0.123 175.943 176.094 -0.458 0.000 1.213 505 V CA 0.918 63.049 62.300 -0.281 0.000 1.149 505 V CB -0.346 31.306 31.823 -0.285 0.000 0.822 505 V HN 0.536 nan 8.190 nan 0.000 0.462 506 D N 0.534 120.638 120.400 -0.494 0.000 2.614 506 D HA 0.284 4.927 4.640 0.004 0.000 0.203 506 D C -0.997 175.076 176.300 -0.377 0.000 1.312 506 D CA -0.404 53.259 54.000 -0.562 0.000 0.889 506 D CB 1.806 42.251 40.800 -0.593 0.000 1.615 506 D HN 0.173 nan 8.370 nan 0.000 0.567 507 F N 0.463 120.350 119.950 -0.105 0.000 2.368 507 F HA 0.469 4.999 4.527 0.004 0.000 0.315 507 F C 1.253 177.013 175.800 -0.067 0.000 1.145 507 F CA -0.919 57.035 58.000 -0.077 0.000 1.095 507 F CB 0.119 39.089 39.000 -0.051 0.000 1.286 507 F HN 0.024 nan 8.300 nan 0.000 0.530 508 E N 1.873 122.204 120.200 0.218 0.000 2.222 508 E HA 0.108 4.460 4.350 0.004 0.000 0.312 508 E C 0.040 176.693 176.600 0.089 0.000 1.263 508 E CA 0.031 56.488 56.400 0.095 0.000 1.356 508 E CB -0.498 29.231 29.700 0.048 0.000 1.180 508 E HN 0.581 nan 8.360 nan 0.000 0.494 509 L N -1.129 120.164 121.223 0.117 0.000 2.862 509 L HA 0.240 4.582 4.340 0.004 0.000 0.240 509 L C 0.825 177.721 176.870 0.042 0.000 1.283 509 L CA 0.132 55.017 54.840 0.076 0.000 1.117 509 L CB -0.279 41.840 42.059 0.099 0.000 1.444 509 L HN 0.270 nan 8.230 nan 0.000 0.456 510 L N -0.478 120.761 121.223 0.027 0.000 2.854 510 L HA 0.133 4.476 4.340 0.004 0.000 0.249 510 L C 2.201 179.076 176.870 0.008 0.000 1.091 510 L CA 0.021 54.865 54.840 0.007 0.000 0.935 510 L CB 0.127 42.174 42.059 -0.021 0.000 1.367 510 L HN 0.332 nan 8.230 nan 0.000 0.524 511 K N 0.604 121.012 120.400 0.013 0.000 2.281 511 K HA -0.189 4.134 4.320 0.004 0.000 0.203 511 K C 1.111 177.719 176.600 0.012 0.000 1.046 511 K CA 1.715 58.009 56.287 0.011 0.000 0.938 511 K CB -0.384 32.124 32.500 0.013 0.000 0.737 511 K HN 0.412 nan 8.250 nan 0.000 0.458 512 D N 1.265 121.674 120.400 0.015 0.000 2.355 512 D HA -0.060 4.583 4.640 0.004 0.000 0.218 512 D C 0.568 176.877 176.300 0.016 0.000 1.004 512 D CA 0.134 54.143 54.000 0.015 0.000 0.880 512 D CB -0.040 40.770 40.800 0.017 0.000 0.911 512 D HN 0.229 nan 8.370 nan 0.000 0.528 513 L N 2.019 123.251 121.223 0.016 0.000 2.350 513 L HA 0.311 4.653 4.340 0.004 0.000 0.275 513 L C -1.831 175.048 176.870 0.015 0.000 1.099 513 L CA -1.919 52.931 54.840 0.017 0.000 0.808 513 L CB 0.771 42.841 42.059 0.018 0.000 1.149 513 L HN -0.151 nan 8.230 nan 0.000 0.442 514 P HA 0.058 nan 4.420 nan 0.000 0.272 514 P C -1.148 176.160 177.300 0.013 0.000 1.230 514 P CA -0.534 62.574 63.100 0.014 0.000 0.788 514 P CB 0.454 32.163 31.700 0.016 0.000 0.949 515 D N 0.647 121.051 120.400 0.007 0.000 2.493 515 D HA 0.033 4.675 4.640 0.004 0.000 0.240 515 D C 0.217 176.521 176.300 0.007 0.000 1.142 515 D CA 0.704 54.707 54.000 0.005 0.000 0.872 515 D CB -0.276 40.523 40.800 -0.001 0.000 1.173 515 D HN 0.212 nan 8.370 nan 0.000 0.467 516 T N 2.604 117.164 114.554 0.010 0.000 2.853 516 T HA 0.017 4.369 4.350 0.004 0.000 0.298 516 T C 0.864 175.557 174.700 -0.011 0.000 0.978 516 T CA -0.292 61.819 62.100 0.018 0.000 1.152 516 T CB 0.416 69.305 68.868 0.035 0.000 0.914 516 T HN 0.227 nan 8.240 nan 0.000 0.539 517 R N 3.049 123.539 120.500 -0.017 0.000 2.449 517 R HA 0.072 4.414 4.340 0.004 0.000 0.296 517 R C -0.178 176.046 176.300 -0.127 0.000 1.047 517 R CA -0.141 55.928 56.100 -0.053 0.000 1.018 517 R CB 0.306 30.588 30.300 -0.030 0.000 0.962 517 R HN 0.558 nan 8.270 nan 0.000 0.428 518 R N 5.669 126.034 120.500 -0.224 0.000 2.593 518 R HA 0.114 4.456 4.340 0.004 0.000 0.282 518 R C 0.933 176.885 176.300 -0.579 0.000 1.300 518 R CA -0.222 55.524 56.100 -0.591 0.000 1.221 518 R CB 0.424 30.190 30.300 -0.889 0.000 1.157 518 R HN 0.680 nan 8.270 nan 0.000 0.555 519 L N 1.538 122.537 121.223 -0.375 0.000 2.187 519 L HA -0.226 4.117 4.340 0.004 0.000 0.213 519 L C 1.742 178.537 176.870 -0.124 0.000 1.100 519 L CA 1.395 56.115 54.840 -0.199 0.000 0.765 519 L CB -0.417 41.517 42.059 -0.208 0.000 0.904 519 L HN 0.660 nan 8.230 nan 0.000 0.437 520 Y N -3.628 116.634 120.300 -0.064 0.000 2.509 520 Y HA -0.120 4.432 4.550 0.004 0.000 0.293 520 Y C 2.065 178.029 175.900 0.107 0.000 1.133 520 Y CA 0.320 58.414 58.100 -0.011 0.000 1.283 520 Y CB -0.948 37.486 38.460 -0.043 0.000 1.001 520 Y HN -0.013 nan 8.280 nan 0.000 0.555 521 Y N 1.271 121.455 120.300 -0.193 0.000 2.420 521 Y HA 0.025 4.577 4.550 0.004 0.000 0.292 521 Y C 2.022 178.011 175.900 0.150 0.000 1.119 521 Y CA 0.415 58.526 58.100 0.018 0.000 1.229 521 Y CB -0.435 38.047 38.460 0.037 0.000 1.026 521 Y HN 0.341 nan 8.280 nan 0.000 0.554 522 E N -0.581 119.760 120.200 0.235 0.000 2.072 522 E HA -0.101 4.252 4.350 0.004 0.000 0.190 522 E C -0.035 176.712 176.600 0.246 0.000 0.982 522 E CA 1.200 57.728 56.400 0.212 0.000 0.803 522 E CB 0.246 30.015 29.700 0.116 0.000 0.755 522 E HN 0.080 nan 8.360 nan 0.000 0.453 523 D N -1.322 119.220 120.400 0.237 0.000 2.613 523 D HA 0.071 4.714 4.640 0.004 0.000 0.230 523 D C -2.296 174.166 176.300 0.269 0.000 1.365 523 D CA -1.845 52.322 54.000 0.279 0.000 0.976 523 D CB 1.519 42.449 40.800 0.218 0.000 1.415 523 D HN -0.233 nan 8.370 nan 0.000 0.589 524 P HA 0.048 nan 4.420 nan 0.000 0.237 524 P C 0.751 178.059 177.300 0.014 0.000 1.178 524 P CA 0.327 63.490 63.100 0.105 0.000 0.766 524 P CB 0.004 31.687 31.700 -0.028 0.000 0.876 525 F N -1.601 118.482 119.950 0.222 0.000 2.695 525 F HA 0.321 4.850 4.527 0.004 0.000 0.303 525 F C 1.697 177.417 175.800 -0.135 0.000 1.091 525 F CA -0.381 57.656 58.000 0.063 0.000 1.300 525 F CB -0.068 38.947 39.000 0.025 0.000 1.071 525 F HN -0.140 nan 8.300 nan 0.000 0.578 529 F N -1.251 118.551 119.950 -0.247 0.000 2.807 529 F HA 0.594 5.124 4.527 0.004 0.000 0.316 529 F C -1.925 173.811 175.800 -0.107 0.000 1.162 529 F CA -1.007 56.936 58.000 -0.096 0.000 0.910 529 F CB 1.183 40.167 39.000 -0.026 0.000 1.314 529 F HN 0.125 nan 8.300 nan 0.000 0.454 530 D N 1.226 121.709 120.400 0.138 0.000 2.342 530 D HA 0.763 5.405 4.640 0.004 0.000 0.243 530 D C -0.683 175.773 176.300 0.261 0.000 1.019 530 D CA -0.207 53.850 54.000 0.095 0.000 0.864 530 D CB 2.113 43.000 40.800 0.145 0.000 1.315 530 D HN 1.002 nan 8.370 nan 0.000 0.468 534 L N 2.180 123.446 121.223 0.073 0.000 2.357 534 L HA 0.442 4.784 4.340 0.004 0.000 0.211 534 L C 0.967 177.871 176.870 0.057 0.000 1.075 534 L CA 0.758 55.634 54.840 0.061 0.000 0.830 534 L CB 0.311 42.404 42.059 0.057 0.000 0.996 534 L HN 0.654 nan 8.230 nan 0.000 0.467 535 R N -0.757 119.778 120.500 0.059 0.000 2.634 535 R HA 0.523 4.866 4.340 0.004 0.000 0.263 535 R C -1.984 174.352 176.300 0.059 0.000 1.060 535 R CA -0.456 55.678 56.100 0.056 0.000 0.898 535 R CB 2.378 32.706 30.300 0.046 0.000 1.253 535 R HN -0.274 nan 8.270 nan 0.000 0.461 536 V N 5.280 125.233 119.914 0.063 0.000 2.407 536 V HA 0.528 4.650 4.120 0.004 0.000 0.291 536 V C -0.110 176.027 176.094 0.072 0.000 1.018 536 V CA -0.462 61.877 62.300 0.066 0.000 0.842 536 V CB 1.399 33.269 31.823 0.079 0.000 0.996 536 V HN 0.599 nan 8.190 nan 0.000 0.426 540 W N 1.104 122.338 121.300 -0.110 0.000 2.429 540 W HA 0.651 5.314 4.660 0.004 0.000 0.314 540 W C -0.096 176.346 176.519 -0.130 0.000 1.062 540 W CA -0.951 56.315 57.345 -0.132 0.000 1.211 540 W CB 1.923 31.308 29.460 -0.127 0.000 1.305 540 W HN -0.263 nan 8.180 nan 0.000 0.476 541 V N 5.646 125.591 119.914 0.051 0.000 2.435 541 V HA 0.414 4.536 4.120 0.004 0.000 0.290 541 V C -0.107 176.055 176.094 0.113 0.000 1.030 541 V CA -0.936 61.332 62.300 -0.054 0.000 0.881 541 V CB 1.215 32.781 31.823 -0.429 0.000 0.983 541 V HN 0.325 nan 8.190 nan 0.000 0.445 542 I N 5.870 126.493 120.570 0.088 0.000 2.354 542 I HA 0.468 4.640 4.170 0.004 0.000 0.292 542 I C -0.255 175.926 176.117 0.107 0.000 0.989 542 I CA 0.001 61.377 61.300 0.126 0.000 1.188 542 I CB 1.369 39.411 38.000 0.071 0.000 1.342 542 I HN 0.374 nan 8.210 nan 0.000 0.457 543 L N 4.498 125.814 121.223 0.156 0.000 2.313 543 L HA 0.449 4.792 4.340 0.004 0.000 0.268 543 L C 0.839 177.782 176.870 0.123 0.000 1.010 543 L CA -0.762 54.155 54.840 0.129 0.000 0.814 543 L CB 1.294 43.437 42.059 0.140 0.000 1.304 543 L HN 0.607 nan 8.230 nan 0.000 0.441 544 D N -0.039 120.427 120.400 0.109 0.000 2.234 544 D HA 0.056 4.699 4.640 0.004 0.000 0.205 544 D C 0.246 176.591 176.300 0.076 0.000 0.962 544 D CA 0.572 54.622 54.000 0.083 0.000 0.855 544 D CB 0.429 41.273 40.800 0.073 0.000 0.951 544 D HN 0.448 nan 8.370 nan 0.000 0.500 545 A N -1.221 121.660 122.820 0.101 0.000 2.574 545 A HA 0.624 4.947 4.320 0.004 0.000 0.297 545 A C -1.033 176.553 177.584 0.003 0.000 1.062 545 A CA -0.507 51.555 52.037 0.042 0.000 0.686 545 A CB 2.070 21.089 19.000 0.032 0.000 1.285 545 A HN 0.037 nan 8.150 nan 0.000 0.403 546 T N -0.256 114.196 114.554 -0.171 0.000 2.932 546 T HA 0.577 4.930 4.350 0.004 0.000 0.318 546 T C 0.280 174.689 174.700 -0.485 0.000 1.265 546 T CA 0.526 62.376 62.100 -0.418 0.000 1.036 546 T CB 1.518 70.564 68.868 0.297 0.000 1.209 546 T HN 1.800 nan 8.240 nan 0.000 0.484 547 A N 3.096 125.353 122.820 -0.938 0.000 2.308 547 A HA 0.446 4.769 4.320 0.004 0.000 0.217 547 A C 0.079 177.686 177.584 0.037 0.000 1.216 547 A CA -0.156 51.731 52.037 -0.250 0.000 0.864 547 A CB -0.344 18.510 19.000 -0.243 0.000 0.902 547 A HN 0.634 nan 8.150 nan 0.000 0.499 548 F N 0.042 120.072 119.950 0.134 0.000 2.471 548 F HA 0.259 4.789 4.527 0.004 0.000 0.365 548 F C 0.343 176.098 175.800 -0.074 0.000 1.095 548 F CA -0.300 57.794 58.000 0.157 0.000 1.174 548 F CB 0.081 39.265 39.000 0.306 0.000 1.105 548 F HN 0.321 nan 8.300 nan 0.000 0.535 549 Y N 7.238 127.386 120.300 -0.252 0.000 2.496 549 Y HA 0.210 4.762 4.550 0.004 0.000 0.334 549 Y C -2.209 173.546 175.900 -0.240 0.000 1.080 549 Y CA -2.687 55.021 58.100 -0.654 0.000 1.355 549 Y CB 0.231 38.345 38.460 -0.576 0.000 1.193 549 Y HN 0.323 nan 8.280 nan 0.000 0.523 550 P HA 0.071 nan 4.420 nan 0.000 0.284 550 P C -0.988 175.974 177.300 -0.564 0.000 1.253 550 P CA -0.476 62.350 63.100 -0.456 0.000 0.800 550 P CB 0.980 32.456 31.700 -0.372 0.000 0.961 551 E N 1.351 121.470 120.200 -0.135 0.000 2.529 551 E HA 0.323 4.676 4.350 0.004 0.000 0.259 551 E C -0.042 176.499 176.600 -0.099 0.000 0.966 551 E CA 0.456 56.837 56.400 -0.030 0.000 0.937 551 E CB -0.266 29.506 29.700 0.120 0.000 0.923 551 E HN 0.740 nan 8.360 nan 0.000 0.468 552 G N 1.696 110.494 108.800 -0.004 0.000 2.429 552 G HA2 0.408 4.371 3.960 0.004 0.000 0.300 552 G HA3 0.408 4.371 3.960 0.004 0.000 0.300 552 G C 0.236 175.215 174.900 0.133 0.000 1.598 552 G CA -0.022 45.097 45.100 0.031 0.000 0.863 552 G HN 1.013 nan 8.290 nan 0.000 0.614 553 G N -0.855 108.006 108.800 0.103 0.000 2.179 553 G HA2 0.312 4.274 3.960 0.004 0.000 0.257 553 G HA3 0.312 4.274 3.960 0.004 0.000 0.257 553 G C 1.925 176.843 174.900 0.030 0.000 1.010 553 G CA 1.379 46.553 45.100 0.124 0.000 0.736 553 G HN 2.906 nan 8.290 nan 0.000 0.513 554 G N -1.506 107.270 108.800 -0.040 0.000 2.199 554 G HA2 -0.237 3.725 3.960 0.004 0.000 0.254 554 G HA3 -0.237 3.725 3.960 0.004 0.000 0.254 554 G C 0.255 174.977 174.900 -0.296 0.000 0.982 554 G CA 1.271 46.282 45.100 -0.147 0.000 0.632 554 G HN 1.561 nan 8.290 nan 0.000 0.529 555 Q N 1.205 120.843 119.800 -0.270 0.000 2.314 555 Q HA 0.550 4.893 4.340 0.004 0.000 0.259 555 Q C -2.486 173.343 176.000 -0.284 0.000 0.951 555 Q CA -2.200 53.359 55.803 -0.407 0.000 0.909 555 Q CB 1.884 30.377 28.738 -0.407 0.000 1.236 555 Q HN 0.226 nan 8.270 nan 0.000 0.444 556 P HA -0.034 nan 4.420 nan 0.000 0.272 556 P C -1.172 175.972 177.300 -0.260 0.000 1.240 556 P CA -0.015 62.780 63.100 -0.508 0.000 0.791 556 P CB 0.166 31.427 31.700 -0.730 0.000 0.978 557 Y N -1.316 118.996 120.300 0.020 0.000 2.683 557 Y HA 0.152 4.705 4.550 0.004 0.000 0.340 557 Y C 0.517 176.523 175.900 0.177 0.000 1.245 557 Y CA -0.538 57.616 58.100 0.090 0.000 1.485 557 Y CB -0.791 37.698 38.460 0.048 0.000 1.328 557 Y HN 0.235 nan 8.280 nan 0.000 0.603 558 D N 1.118 121.762 120.400 0.407 0.000 2.357 558 D HA 0.211 4.853 4.640 0.004 0.000 0.242 558 D C 0.217 176.840 176.300 0.539 0.000 1.153 558 D CA 0.302 54.530 54.000 0.380 0.000 0.918 558 D CB 1.177 42.166 40.800 0.316 0.000 1.181 558 D HN 0.805 nan 8.370 nan 0.000 0.435 559 T N -2.167 112.637 114.554 0.417 0.000 2.927 559 T HA 0.837 5.189 4.350 0.004 0.000 0.286 559 T C 0.378 175.367 174.700 0.482 0.000 1.040 559 T CA -0.392 61.962 62.100 0.423 0.000 1.010 559 T CB 2.170 71.204 68.868 0.277 0.000 1.177 559 T HN 0.501 nan 8.240 nan 0.000 0.546 560 G N -0.569 108.507 108.800 0.460 0.000 2.441 560 G HA2 0.472 4.434 3.960 0.004 0.000 0.222 560 G HA3 0.472 4.434 3.960 0.004 0.000 0.222 560 G C -1.203 173.907 174.900 0.349 0.000 1.254 560 G CA -0.047 45.304 45.100 0.418 0.000 0.959 560 G HN 1.867 nan 8.290 nan 0.000 0.474 561 V N -1.809 118.326 119.914 0.368 0.000 2.962 561 V HA 0.900 5.023 4.120 0.004 0.000 0.313 561 V C -0.588 175.656 176.094 0.250 0.000 1.099 561 V CA -1.111 61.331 62.300 0.236 0.000 0.971 561 V CB 1.708 33.622 31.823 0.152 0.000 1.028 561 V HN 0.869 nan 8.190 nan 0.000 0.430 562 L N 3.562 124.887 121.223 0.169 0.000 2.313 562 L HA 0.621 4.964 4.340 0.004 0.000 0.283 562 L C -0.659 176.325 176.870 0.190 0.000 1.013 562 L CA -0.490 54.450 54.840 0.167 0.000 0.816 562 L CB 1.859 44.026 42.059 0.179 0.000 1.236 562 L HN 0.566 nan 8.230 nan 0.000 0.419 563 I N 4.052 124.696 120.570 0.124 0.000 2.321 563 I HA 0.397 4.569 4.170 0.004 0.000 0.291 563 I C -0.490 175.640 176.117 0.020 0.000 0.998 563 I CA -0.529 60.814 61.300 0.071 0.000 1.227 563 I CB 1.825 39.877 38.000 0.086 0.000 1.368 563 I HN 0.247 nan 8.210 nan 0.000 0.466 564 V N 6.692 126.549 119.914 -0.094 0.000 2.577 564 V HA 0.369 4.492 4.120 0.004 0.000 0.303 564 V C 0.012 176.004 176.094 -0.171 0.000 1.042 564 V CA -0.481 61.710 62.300 -0.182 0.000 0.872 564 V CB 1.513 33.054 31.823 -0.470 0.000 0.998 564 V HN 0.955 nan 8.190 nan 0.000 0.423 565 N N 4.889 123.520 118.700 -0.115 0.000 2.727 565 N HA -0.203 4.539 4.740 0.004 0.000 0.249 565 N C 1.000 176.464 175.510 -0.077 0.000 1.048 565 N CA 1.080 54.075 53.050 -0.092 0.000 0.714 565 N CB -0.917 37.506 38.487 -0.106 0.000 0.959 565 N HN 1.679 nan 8.380 nan 0.000 0.544 566 G N -0.344 108.418 108.800 -0.064 0.000 2.184 566 G HA2 -0.393 3.570 3.960 0.004 0.000 0.264 566 G HA3 -0.393 3.570 3.960 0.004 0.000 0.264 566 G C 0.053 174.926 174.900 -0.045 0.000 0.975 566 G CA 0.674 45.744 45.100 -0.050 0.000 0.642 566 G HN 0.698 nan 8.290 nan 0.000 0.536 567 R N 0.668 121.132 120.500 -0.060 0.000 2.460 567 R HA 0.616 4.959 4.340 0.004 0.000 0.303 567 R C -0.713 175.568 176.300 -0.031 0.000 0.968 567 R CA -0.781 55.288 56.100 -0.050 0.000 0.889 567 R CB 1.553 31.810 30.300 -0.072 0.000 1.123 567 R HN 0.317 nan 8.270 nan 0.000 0.455 568 E N 2.397 122.598 120.200 0.001 0.000 2.259 568 E HA 0.247 4.599 4.350 0.004 0.000 0.281 568 E C -0.325 176.303 176.600 0.047 0.000 1.037 568 E CA -0.550 55.872 56.400 0.038 0.000 0.854 568 E CB 1.840 31.568 29.700 0.047 0.000 1.051 568 E HN 0.338 nan 8.360 nan 0.000 0.409 572 T N -0.942 113.510 114.554 -0.169 0.000 3.010 572 T HA 0.362 4.715 4.350 0.004 0.000 0.257 572 T C 0.374 174.873 174.700 -0.334 0.000 1.020 572 T CA 0.102 62.114 62.100 -0.146 0.000 0.938 572 T CB 0.207 68.980 68.868 -0.157 0.000 1.049 572 T HN 0.515 nan 8.240 nan 0.000 0.522 573 N N 0.243 118.652 118.700 -0.484 0.000 2.647 573 N HA 0.363 5.106 4.740 0.004 0.000 0.259 573 N C -2.266 173.011 175.510 -0.389 0.000 1.098 573 N CA -0.266 52.273 53.050 -0.852 0.000 0.984 573 N CB 2.426 40.514 38.487 -0.665 0.000 1.683 573 N HN 0.047 nan 8.380 nan 0.000 0.501 574 V N 2.889 122.620 119.914 -0.305 0.000 2.525 574 V HA 0.568 4.690 4.120 0.004 0.000 0.299 574 V C -0.412 175.646 176.094 -0.060 0.000 1.034 574 V CA -0.707 61.538 62.300 -0.093 0.000 0.863 574 V CB 1.704 33.506 31.823 -0.035 0.000 0.999 574 V HN 0.556 nan 8.190 nan 0.000 0.423 581 I N 5.684 126.212 120.570 -0.071 0.000 2.342 581 I HA 0.513 4.686 4.170 0.004 0.000 0.291 581 I C 0.088 176.083 176.117 -0.204 0.000 1.010 581 I CA -0.353 60.853 61.300 -0.158 0.000 1.308 581 I CB 1.173 39.090 38.000 -0.137 0.000 1.400 581 I HN 0.602 nan 8.210 nan 0.000 0.488 582 I N 2.947 123.352 120.570 -0.275 0.000 2.377 582 I HA 0.551 4.724 4.170 0.004 0.000 0.293 582 I C -0.661 175.417 176.117 -0.064 0.000 0.987 582 I CA -0.554 60.662 61.300 -0.139 0.000 1.185 582 I CB 1.125 38.940 38.000 -0.309 0.000 1.341 582 I HN 0.496 nan 8.210 nan 0.000 0.455 586 E N 0.474 120.617 120.200 -0.095 0.000 2.347 586 E HA 0.002 4.355 4.350 0.004 0.000 0.196 586 E C -0.088 176.498 176.600 -0.023 0.000 1.008 586 E CA 1.433 57.794 56.400 -0.066 0.000 0.852 586 E CB 0.317 29.994 29.700 -0.038 0.000 0.783 586 E HN 0.802 nan 8.360 nan 0.000 0.505 587 D N -0.567 119.856 120.400 0.038 0.000 2.517 587 D HA 0.075 4.717 4.640 0.004 0.000 0.263 587 D C -1.993 174.414 176.300 0.179 0.000 1.233 587 D CA -1.917 52.126 54.000 0.073 0.000 0.849 587 D CB 0.932 41.765 40.800 0.055 0.000 1.261 587 D HN -0.192 nan 8.370 nan 0.000 0.516 588 P HA -0.015 nan 4.420 nan 0.000 0.220 588 P C 1.488 178.912 177.300 0.206 0.000 1.148 588 P CA 0.619 63.819 63.100 0.168 0.000 0.803 588 P CB 0.240 31.958 31.700 0.030 0.000 0.782 589 G N 0.460 109.324 108.800 0.106 0.000 2.498 589 G HA2 -0.139 3.824 3.960 0.004 0.000 0.219 589 G HA3 -0.139 3.824 3.960 0.004 0.000 0.219 589 G C 1.628 176.541 174.900 0.022 0.000 1.119 589 G CA 0.670 45.806 45.100 0.060 0.000 0.766 589 G HN 0.381 nan 8.290 nan 0.000 0.552 590 A N -0.583 122.233 122.820 -0.006 0.000 2.167 590 A HA 0.504 4.826 4.320 0.004 0.000 0.214 590 A C 0.602 177.940 177.584 -0.410 0.000 1.151 590 A CA 0.167 52.060 52.037 -0.239 0.000 0.735 590 A CB -0.101 18.669 19.000 -0.384 0.000 0.802 590 A HN 0.231 nan 8.150 nan 0.000 0.467 594 G N 2.351 111.189 108.800 0.064 0.000 2.234 594 G HA2 -0.281 3.681 3.960 0.004 0.000 0.235 594 G HA3 -0.281 3.681 3.960 0.004 0.000 0.235 594 G C 0.372 175.306 174.900 0.056 0.000 0.997 594 G CA 0.093 45.225 45.100 0.054 0.000 0.623 594 G HN 0.372 nan 8.290 nan 0.000 0.514 595 M N 1.638 121.278 119.600 0.067 0.000 2.245 595 M HA 0.310 4.792 4.480 0.004 0.000 0.344 595 M C 0.278 176.624 176.300 0.076 0.000 1.170 595 M CA 0.204 55.541 55.300 0.062 0.000 1.135 595 M CB 0.474 33.113 32.600 0.065 0.000 1.574 595 M HN 0.001 nan 8.290 nan 0.000 0.452 596 I N 4.537 125.142 120.570 0.058 0.000 2.315 596 I HA 0.283 4.455 4.170 0.004 0.000 0.291 596 I C 0.091 176.247 176.117 0.066 0.000 1.006 596 I CA -0.520 60.819 61.300 0.066 0.000 1.265 596 I CB 0.374 38.406 38.000 0.052 0.000 1.387 596 I HN 0.413 nan 8.210 nan 0.000 0.475 597 V N 3.979 123.944 119.914 0.085 0.000 2.881 597 V HA 0.583 4.706 4.120 0.004 0.000 0.316 597 V C -0.765 175.345 176.094 0.026 0.000 1.070 597 V CA -0.775 61.574 62.300 0.082 0.000 0.976 597 V CB 1.976 33.896 31.823 0.162 0.000 1.038 597 V HN 0.784 nan 8.190 nan 0.000 0.446 598 H N 1.590 120.601 119.070 -0.098 0.000 2.511 598 H HA 0.777 5.336 4.556 0.004 0.000 0.328 598 H C 0.272 175.426 175.328 -0.289 0.000 1.044 598 H CA 0.644 56.569 56.048 -0.206 0.000 1.212 598 H CB 1.245 30.936 29.762 -0.118 0.000 1.428 598 H HN 1.199 nan 8.280 nan 0.000 0.483 602 D N 5.011 125.466 120.400 0.091 0.000 2.348 602 D HA 0.032 4.674 4.640 0.004 0.000 0.259 602 D C -0.191 176.160 176.300 0.086 0.000 1.296 602 D CA 0.062 54.118 54.000 0.093 0.000 0.931 602 D CB 0.541 41.378 40.800 0.061 0.000 1.067 602 D HN 0.590 nan 8.370 nan 0.000 0.503 606 R N 1.760 121.924 120.500 -0.559 0.000 2.070 606 R HA 0.049 4.391 4.340 0.004 0.000 0.233 606 R C 1.965 177.830 176.300 -0.725 0.000 1.137 606 R CA 2.305 58.065 56.100 -0.567 0.000 0.945 606 R CB -0.841 29.178 30.300 -0.468 0.000 0.845 606 R HN 0.456 nan 8.270 nan 0.000 0.430 607 I N 0.310 120.251 120.570 -1.049 0.000 2.394 607 I HA -0.271 3.902 4.170 0.004 0.000 0.251 607 I C 1.839 177.698 176.117 -0.431 0.000 1.136 607 I CA 1.414 62.213 61.300 -0.835 0.000 1.425 607 I CB -0.041 37.410 38.000 -0.914 0.000 1.079 607 I HN 0.382 nan 8.210 nan 0.000 0.425 608 Q N -0.483 119.081 119.800 -0.393 0.000 2.079 608 Q HA -0.236 4.106 4.340 0.004 0.000 0.200 608 Q C 1.992 177.963 176.000 -0.050 0.000 0.974 608 Q CA 1.874 57.561 55.803 -0.192 0.000 0.840 608 Q CB -0.298 28.307 28.738 -0.222 0.000 0.898 608 Q HN 0.686 nan 8.270 nan 0.000 0.430 609 H N -0.104 118.821 119.070 -0.241 0.000 2.319 609 H HA -0.119 4.440 4.556 0.004 0.000 0.299 609 H C 2.138 177.324 175.328 -0.236 0.000 1.092 609 H CA 1.246 57.133 56.048 -0.269 0.000 1.302 609 H CB 0.033 29.583 29.762 -0.353 0.000 1.373 609 H HN 0.206 nan 8.280 nan 0.000 0.497 610 M N -0.008 119.488 119.600 -0.173 0.000 2.117 610 M HA -0.157 4.326 4.480 0.004 0.000 0.262 610 M C 2.344 178.565 176.300 -0.132 0.000 1.065 610 M CA 1.414 56.575 55.300 -0.232 0.000 1.114 610 M CB -0.094 32.313 32.600 -0.321 0.000 1.361 610 M HN 0.175 nan 8.290 nan 0.000 0.408 611 R N -0.670 119.762 120.500 -0.113 0.000 2.083 611 R HA -0.166 4.176 4.340 0.004 0.000 0.237 611 R C 1.947 178.181 176.300 -0.111 0.000 1.137 611 R CA 1.717 57.750 56.100 -0.111 0.000 0.951 611 R CB -0.557 29.642 30.300 -0.169 0.000 0.851 611 R HN 0.484 nan 8.270 nan 0.000 0.434 612 H N -1.870 117.178 119.070 -0.037 0.000 2.462 612 H HA -0.055 4.504 4.556 0.004 0.000 0.292 612 H C 1.827 177.189 175.328 0.055 0.000 1.049 612 H CA 1.434 57.482 56.048 -0.000 0.000 1.334 612 H CB -0.029 29.645 29.762 -0.147 0.000 1.404 612 H HN 0.369 nan 8.280 nan 0.000 0.544 613 H N -0.711 118.330 119.070 -0.049 0.000 2.307 613 H HA -0.100 4.459 4.556 0.004 0.000 0.303 613 H C 1.776 177.045 175.328 -0.097 0.000 1.073 613 H CA 1.553 57.496 56.048 -0.175 0.000 1.338 613 H CB 0.394 29.832 29.762 -0.539 0.000 1.389 613 H HN 0.221 nan 8.280 nan 0.000 0.503 614 T N -0.753 113.848 114.554 0.078 0.000 2.788 614 T HA -0.130 4.222 4.350 0.004 0.000 0.268 614 T C 2.098 176.889 174.700 0.151 0.000 1.044 614 T CA 0.947 63.132 62.100 0.143 0.000 1.139 614 T CB -0.709 68.240 68.868 0.135 0.000 0.867 614 T HN 0.581 nan 8.240 nan 0.000 0.454 615 G N 1.228 110.116 108.800 0.146 0.000 2.442 615 G HA2 -0.237 3.725 3.960 0.004 0.000 0.219 615 G HA3 -0.237 3.725 3.960 0.004 0.000 0.219 615 G C 1.695 176.721 174.900 0.211 0.000 1.141 615 G CA 1.465 46.665 45.100 0.167 0.000 0.763 615 G HN 0.448 nan 8.290 nan 0.000 0.554 616 T N 0.136 114.912 114.554 0.369 0.000 2.720 616 T HA -0.107 4.246 4.350 0.004 0.000 0.268 616 T C 1.984 176.869 174.700 0.308 0.000 1.037 616 T CA 1.348 63.681 62.100 0.388 0.000 1.144 616 T CB -0.408 68.759 68.868 0.497 0.000 0.864 616 T HN 0.550 nan 8.240 nan 0.000 0.444 617 H N -0.129 119.035 119.070 0.158 0.000 2.389 617 H HA 0.014 4.572 4.556 0.004 0.000 0.299 617 H C 2.423 177.838 175.328 0.144 0.000 1.081 617 H CA 0.848 56.957 56.048 0.102 0.000 1.345 617 H CB -0.049 29.761 29.762 0.079 0.000 1.393 617 H HN 0.155 nan 8.280 nan 0.000 0.520 618 V N 1.227 121.317 119.914 0.292 0.000 2.295 618 V HA -0.250 3.873 4.120 0.004 0.000 0.246 618 V C 2.528 178.813 176.094 0.319 0.000 1.049 618 V CA 1.508 63.994 62.300 0.310 0.000 1.024 618 V CB -0.529 31.342 31.823 0.080 0.000 0.648 618 V HN 0.224 nan 8.190 nan 0.000 0.447 619 L N -0.624 120.633 121.223 0.056 0.000 2.046 619 L HA -0.178 4.165 4.340 0.004 0.000 0.208 619 L C 2.312 179.147 176.870 -0.059 0.000 1.077 619 L CA 2.315 57.099 54.840 -0.094 0.000 0.747 619 L CB -0.601 41.194 42.059 -0.439 0.000 0.896 619 L HN 0.340 nan 8.230 nan 0.000 0.432 620 M N -0.228 119.337 119.600 -0.059 0.000 2.080 620 M HA -0.084 4.399 4.480 0.004 0.000 0.260 620 M C 2.111 178.275 176.300 -0.227 0.000 1.068 620 M CA 2.117 57.332 55.300 -0.141 0.000 1.109 620 M CB -1.365 31.128 32.600 -0.177 0.000 1.342 620 M HN 0.252 nan 8.290 nan 0.000 0.405 621 G N -1.018 107.620 108.800 -0.269 0.000 2.442 621 G HA2 -0.103 3.860 3.960 0.004 0.000 0.219 621 G HA3 -0.103 3.860 3.960 0.004 0.000 0.219 621 G C 1.522 176.014 174.900 -0.680 0.000 1.141 621 G CA 1.081 45.701 45.100 -0.801 0.000 0.763 621 G HN 0.692 nan 8.290 nan 0.000 0.554 622 A N 0.333 123.113 122.820 -0.067 0.000 1.897 622 A HA 0.223 4.546 4.320 0.004 0.000 0.215 622 A C 2.405 179.943 177.584 -0.077 0.000 1.181 622 A CA 0.960 53.050 52.037 0.087 0.000 0.620 622 A CB -0.316 18.820 19.000 0.227 0.000 0.821 622 A HN 0.337 nan 8.150 nan 0.000 0.443 623 L N -0.491 120.658 121.223 -0.124 0.000 2.056 623 L HA -0.151 4.191 4.340 0.004 0.000 0.207 623 L C 2.527 179.283 176.870 -0.190 0.000 1.078 623 L CA 0.976 55.723 54.840 -0.155 0.000 0.749 623 L CB -0.459 41.502 42.059 -0.162 0.000 0.901 623 L HN 0.244 nan 8.230 nan 0.000 0.433 624 V N -0.202 119.577 119.914 -0.226 0.000 2.295 624 V HA -0.289 3.834 4.120 0.004 0.000 0.246 624 V C 2.568 178.558 176.094 -0.173 0.000 1.049 624 V CA 1.802 63.972 62.300 -0.217 0.000 1.024 624 V CB -0.615 31.058 31.823 -0.251 0.000 0.648 624 V HN 0.405 nan 8.190 nan 0.000 0.447 625 R N -0.589 119.789 120.500 -0.204 0.000 2.096 625 R HA -0.094 4.249 4.340 0.004 0.000 0.235 625 R C 2.153 178.417 176.300 -0.059 0.000 1.127 625 R CA 1.288 57.306 56.100 -0.137 0.000 0.968 625 R CB -0.381 29.814 30.300 -0.174 0.000 0.861 625 R HN 0.413 nan 8.270 nan 0.000 0.440 626 V N 0.623 120.502 119.914 -0.059 0.000 2.379 626 V HA -0.107 4.016 4.120 0.004 0.000 0.243 626 V C 2.015 178.101 176.094 -0.013 0.000 1.035 626 V CA 1.417 63.703 62.300 -0.024 0.000 1.035 626 V CB -0.161 31.646 31.823 -0.026 0.000 0.673 626 V HN 0.234 nan 8.190 nan 0.000 0.457 627 L N -0.686 120.500 121.223 -0.061 0.000 2.298 627 L HA 0.515 4.858 4.340 0.004 0.000 0.209 627 L C 1.029 177.977 176.870 0.130 0.000 1.084 627 L CA 0.895 55.719 54.840 -0.027 0.000 0.816 627 L CB -0.100 41.786 42.059 -0.288 0.000 0.967 627 L HN 0.529 nan 8.230 nan 0.000 0.460 628 G N 0.313 109.118 108.800 0.009 0.000 2.340 628 G HA2 -0.084 3.878 3.960 0.004 0.000 0.527 628 G HA3 -0.084 3.878 3.960 0.004 0.000 0.527 628 G C 0.057 174.922 174.900 -0.058 0.000 1.381 628 G CA -0.332 44.825 45.100 0.095 0.000 1.001 628 G HN 0.167 nan 8.290 nan 0.000 0.626 629 R N -0.196 120.355 120.500 0.086 0.000 2.299 629 R HA 0.013 4.356 4.340 0.004 0.000 0.197 629 R C 1.778 178.176 176.300 0.163 0.000 0.971 629 R CA 1.366 57.519 56.100 0.089 0.000 1.030 629 R CB -0.359 30.016 30.300 0.124 0.000 0.932 629 R HN 0.851 nan 8.270 nan 0.000 0.477 630 H N 0.433 119.627 119.070 0.206 0.000 2.491 630 H HA 0.065 4.624 4.556 0.004 0.000 0.290 630 H C 0.245 175.749 175.328 0.294 0.000 1.050 630 H CA 0.257 56.444 56.048 0.231 0.000 1.309 630 H CB -0.561 29.333 29.762 0.221 0.000 1.392 630 H HN -0.065 nan 8.280 nan 0.000 0.554 631 V N 2.367 122.061 119.914 -0.368 0.000 2.493 631 V HA -0.079 4.043 4.120 0.004 0.000 0.292 631 V C -0.122 176.064 176.094 0.153 0.000 1.016 631 V CA 0.566 62.770 62.300 -0.161 0.000 1.097 631 V CB 0.080 31.733 31.823 -0.283 0.000 0.947 631 V HN 0.447 nan 8.190 nan 0.000 0.479 632 W N 4.580 125.866 121.300 -0.022 0.000 3.217 632 W HA 0.312 4.975 4.660 0.004 0.000 0.323 632 W C -0.380 176.152 176.519 0.023 0.000 1.216 632 W CA -0.900 56.452 57.345 0.011 0.000 1.194 632 W CB 2.014 31.505 29.460 0.051 0.000 1.397 632 W HN 0.502 nan 8.180 nan 0.000 0.537 633 Q N 2.254 122.025 119.800 -0.049 0.000 2.289 633 Q HA 0.295 4.638 4.340 0.004 0.000 0.273 633 Q C 0.368 176.484 176.000 0.194 0.000 1.029 633 Q CA 0.805 56.631 55.803 0.039 0.000 0.896 633 Q CB 1.396 30.098 28.738 -0.059 0.000 1.182 633 Q HN 0.516 nan 8.270 nan 0.000 0.385 634 A N 3.427 126.342 122.820 0.157 0.000 2.197 634 A HA 0.465 4.787 4.320 0.004 0.000 0.210 634 A C 0.487 178.139 177.584 0.112 0.000 1.180 634 A CA 0.715 52.842 52.037 0.150 0.000 0.846 634 A CB 0.579 19.660 19.000 0.135 0.000 0.884 634 A HN 0.804 nan 8.150 nan 0.000 0.487 635 G N -1.803 107.056 108.800 0.098 0.000 2.411 635 G HA2 0.481 4.443 3.960 0.004 0.000 0.295 635 G HA3 0.481 4.443 3.960 0.004 0.000 0.295 635 G C -1.303 173.645 174.900 0.079 0.000 1.542 635 G CA 0.417 45.565 45.100 0.081 0.000 0.814 635 G HN 0.802 nan 8.290 nan 0.000 0.557 636 S N -0.711 115.026 115.700 0.062 0.000 2.543 636 S HA 0.692 5.164 4.470 0.004 0.000 0.273 636 S C -1.656 172.943 174.600 -0.002 0.000 1.152 636 S CA -0.438 57.792 58.200 0.050 0.000 0.910 636 S CB 2.090 65.319 63.200 0.049 0.000 1.105 636 S HN 1.091 nan 8.310 nan 0.000 0.465 637 Q N 3.379 123.164 119.800 -0.026 0.000 2.281 637 Q HA 0.605 4.948 4.340 0.004 0.000 0.263 637 Q C -2.041 173.813 176.000 -0.245 0.000 0.989 637 Q CA -0.363 55.368 55.803 -0.119 0.000 0.852 637 Q CB 1.341 30.052 28.738 -0.045 0.000 1.337 637 Q HN 0.741 nan 8.270 nan 0.000 0.418 638 L N 2.317 123.297 121.223 -0.405 0.000 2.331 638 L HA 0.860 5.202 4.340 0.004 0.000 0.275 638 L C 0.397 176.822 176.870 -0.743 0.000 1.022 638 L CA -0.821 53.686 54.840 -0.554 0.000 0.812 638 L CB 1.869 43.617 42.059 -0.518 0.000 1.257 638 L HN 0.852 nan 8.230 nan 0.000 0.435 639 T N -3.929 110.038 114.554 -0.977 0.000 2.773 639 T HA 0.265 4.618 4.350 0.004 0.000 0.278 639 T C 1.005 175.311 174.700 -0.656 0.000 1.011 639 T CA 0.101 61.685 62.100 -0.859 0.000 1.014 639 T CB 1.406 69.537 68.868 -1.227 0.000 1.293 639 T HN 0.695 nan 8.240 nan 0.000 0.554 640 T N -1.433 112.847 114.554 -0.456 0.000 2.867 640 T HA -0.037 4.316 4.350 0.004 0.000 0.268 640 T C 0.872 175.344 174.700 -0.379 0.000 1.057 640 T CA 1.442 63.311 62.100 -0.385 0.000 1.136 640 T CB -0.517 68.152 68.868 -0.331 0.000 0.874 640 T HN 0.600 nan 8.240 nan 0.000 0.466 641 D N -0.224 119.902 120.400 -0.457 0.000 2.423 641 D HA 0.196 4.839 4.640 0.004 0.000 0.212 641 D C 0.650 176.896 176.300 -0.090 0.000 1.060 641 D CA 0.165 54.064 54.000 -0.167 0.000 0.872 641 D CB 0.394 41.202 40.800 0.013 0.000 1.012 641 D HN 0.715 nan 8.370 nan 0.000 0.503 642 W N -0.040 120.969 121.300 -0.486 0.000 2.959 642 W HA 0.724 5.387 4.660 0.004 0.000 0.358 642 W C -1.799 174.321 176.519 -0.664 0.000 1.228 642 W CA -1.356 55.729 57.345 -0.432 0.000 1.183 642 W CB 0.778 30.096 29.460 -0.236 0.000 1.467 642 W HN -0.209 nan 8.180 nan 0.000 0.578 643 A N 1.726 124.383 122.820 -0.272 0.000 2.556 643 A HA 0.883 5.206 4.320 0.004 0.000 0.294 643 A C -1.172 176.274 177.584 -0.231 0.000 1.091 643 A CA -1.216 50.568 52.037 -0.422 0.000 0.704 643 A CB 2.113 20.717 19.000 -0.660 0.000 1.300 643 A HN 0.710 nan 8.150 nan 0.000 0.406 644 R N 0.339 120.872 120.500 0.056 0.000 2.670 644 R HA 0.840 5.182 4.340 0.004 0.000 0.289 644 R C -1.801 174.650 176.300 0.251 0.000 0.965 644 R CA -0.678 55.531 56.100 0.181 0.000 0.899 644 R CB 1.544 31.965 30.300 0.201 0.000 1.173 644 R HN 0.567 nan 8.270 nan 0.000 0.456 645 L N 2.244 123.672 121.223 0.342 0.000 2.376 645 L HA 0.466 4.808 4.340 0.004 0.000 0.275 645 L C -1.626 175.339 176.870 0.158 0.000 0.987 645 L CA -0.451 54.538 54.840 0.248 0.000 0.828 645 L CB 1.896 44.116 42.059 0.269 0.000 1.249 645 L HN 0.686 nan 8.230 nan 0.000 0.409 646 D N 5.855 126.327 120.400 0.120 0.000 2.193 646 D HA 0.550 5.193 4.640 0.004 0.000 0.244 646 D C -0.242 176.117 176.300 0.099 0.000 1.064 646 D CA 0.257 54.319 54.000 0.102 0.000 0.845 646 D CB 1.665 42.522 40.800 0.094 0.000 1.148 646 D HN 0.583 nan 8.370 nan 0.000 0.464 647 I N -1.903 118.728 120.570 0.102 0.000 2.646 647 I HA 0.505 4.677 4.170 0.004 0.000 0.299 647 I C 0.053 176.276 176.117 0.177 0.000 1.036 647 I CA -1.130 60.240 61.300 0.117 0.000 1.074 647 I CB 2.061 40.095 38.000 0.056 0.000 1.258 647 I HN 0.151 nan 8.210 nan 0.000 0.430 648 S N 2.941 118.775 115.700 0.224 0.000 2.488 648 S HA 0.408 4.881 4.470 0.004 0.000 0.278 648 S C -0.478 174.356 174.600 0.391 0.000 1.259 648 S CA 0.060 58.420 58.200 0.267 0.000 1.061 648 S CB -0.265 63.094 63.200 0.265 0.000 0.910 648 S HN 0.923 nan 8.310 nan 0.000 0.491 649 H N 1.773 120.983 119.070 0.233 0.000 3.094 649 H HA 0.447 5.006 4.556 0.004 0.000 0.346 649 H C -1.139 174.280 175.328 0.152 0.000 1.238 649 H CA -1.075 55.133 56.048 0.267 0.000 1.209 649 H CB 0.725 30.567 29.762 0.133 0.000 1.911 649 H HN 0.713 nan 8.280 nan 0.000 0.540 653 I N 2.664 123.281 120.570 0.078 0.000 2.379 653 I HA 0.124 4.296 4.170 0.004 0.000 0.290 653 I C 0.903 177.040 176.117 0.032 0.000 1.063 653 I CA -0.064 61.272 61.300 0.060 0.000 1.351 653 I CB 1.182 39.199 38.000 0.029 0.000 1.410 653 I HN 0.609 nan 8.210 nan 0.000 0.505 654 S N 5.006 120.722 115.700 0.028 0.000 2.600 654 S HA 0.149 4.621 4.470 0.004 0.000 0.265 654 S C 1.052 175.662 174.600 0.018 0.000 1.325 654 S CA -0.626 57.587 58.200 0.021 0.000 1.002 654 S CB 1.319 64.532 63.200 0.022 0.000 0.921 654 S HN 0.569 nan 8.310 nan 0.000 0.554 655 E N 1.368 121.578 120.200 0.016 0.000 2.118 655 E HA -0.175 4.178 4.350 0.004 0.000 0.195 655 E C 1.868 178.477 176.600 0.015 0.000 0.992 655 E CA 1.585 57.994 56.400 0.015 0.000 0.804 655 E CB -0.330 29.378 29.700 0.013 0.000 0.741 655 E HN 0.832 nan 8.360 nan 0.000 0.458 656 E N 0.573 120.783 120.200 0.015 0.000 2.072 656 E HA -0.159 4.193 4.350 0.004 0.000 0.191 656 E C 2.066 178.675 176.600 0.015 0.000 0.985 656 E CA 0.756 57.166 56.400 0.016 0.000 0.801 656 E CB -0.011 29.699 29.700 0.017 0.000 0.750 656 E HN 0.322 nan 8.360 nan 0.000 0.452 657 E N 0.437 120.646 120.200 0.015 0.000 2.077 657 E HA -0.158 4.195 4.350 0.004 0.000 0.193 657 E C 0.741 177.342 176.600 0.002 0.000 0.989 657 E CA 0.177 56.583 56.400 0.010 0.000 0.800 657 E CB 0.032 29.737 29.700 0.009 0.000 0.746 657 E HN 0.020 nan 8.360 nan 0.000 0.452 661 I N 2.192 122.767 120.570 0.008 0.000 2.226 661 I HA -0.219 3.954 4.170 0.004 0.000 0.245 661 I C 2.489 178.609 176.117 0.005 0.000 1.100 661 I CA 1.663 62.965 61.300 0.003 0.000 1.374 661 I CB -0.164 37.819 38.000 -0.028 0.000 1.057 661 I HN 0.241 nan 8.210 nan 0.000 0.413 662 E N 0.923 121.122 120.200 -0.002 0.000 2.051 662 E HA -0.241 4.111 4.350 0.004 0.000 0.192 662 E C 2.379 178.978 176.600 -0.001 0.000 0.991 662 E CA 1.356 57.754 56.400 -0.004 0.000 0.799 662 E CB -0.018 29.686 29.700 0.007 0.000 0.748 662 E HN 0.401 nan 8.360 nan 0.000 0.449 663 M N 0.079 119.682 119.600 0.005 0.000 2.117 663 M HA -0.164 4.318 4.480 0.004 0.000 0.262 663 M C 2.380 178.679 176.300 -0.002 0.000 1.065 663 M CA 0.858 56.158 55.300 0.001 0.000 1.114 663 M CB -0.183 32.421 32.600 0.007 0.000 1.361 663 M HN 0.200 nan 8.290 nan 0.000 0.408 664 L N 0.632 121.870 121.223 0.026 0.000 2.056 664 L HA -0.028 4.315 4.340 0.004 0.000 0.207 664 L C 2.571 179.445 176.870 0.005 0.000 1.078 664 L CA 1.989 56.863 54.840 0.056 0.000 0.749 664 L CB -0.884 41.268 42.059 0.156 0.000 0.901 664 L HN 0.193 nan 8.230 nan 0.000 0.433 665 A N -0.592 122.241 122.820 0.022 0.000 1.902 665 A HA -0.233 4.090 4.320 0.004 0.000 0.217 665 A C 2.084 179.605 177.584 -0.105 0.000 1.181 665 A CA 2.079 54.099 52.037 -0.028 0.000 0.623 665 A CB -0.891 18.098 19.000 -0.018 0.000 0.818 665 A HN 0.625 nan 8.150 nan 0.000 0.443 666 N N -1.139 117.518 118.700 -0.072 0.000 2.331 666 N HA -0.064 4.679 4.740 0.004 0.000 0.180 666 N C 1.863 177.313 175.510 -0.101 0.000 1.019 666 N CA 0.844 53.850 53.050 -0.074 0.000 0.881 666 N CB -0.176 38.287 38.487 -0.040 0.000 0.972 666 N HN 0.524 nan 8.380 nan 0.000 0.435 667 R N 0.625 121.058 120.500 -0.113 0.000 2.091 667 R HA -0.094 4.249 4.340 0.004 0.000 0.238 667 R C 1.302 177.469 176.300 -0.222 0.000 1.136 667 R CA 1.300 57.318 56.100 -0.136 0.000 0.959 667 R CB -0.157 30.074 30.300 -0.115 0.000 0.856 667 R HN 0.129 nan 8.270 nan 0.000 0.437 668 I N 0.189 120.545 120.570 -0.357 0.000 2.439 668 I HA -0.181 3.992 4.170 0.004 0.000 0.251 668 I C 2.173 178.102 176.117 -0.313 0.000 1.139 668 I CA 0.743 61.738 61.300 -0.509 0.000 1.438 668 I CB -0.273 37.093 38.000 -1.057 0.000 1.085 668 I HN -0.026 nan 8.210 nan 0.000 0.427 669 V N 1.049 120.833 119.914 -0.217 0.000 2.287 669 V HA -0.324 3.799 4.120 0.004 0.000 0.248 669 V C 2.518 178.549 176.094 -0.104 0.000 1.053 669 V CA 2.422 64.645 62.300 -0.129 0.000 1.027 669 V CB -0.800 30.972 31.823 -0.085 0.000 0.646 669 V HN 0.578 nan 8.190 nan 0.000 0.447 670 M N -0.376 119.163 119.600 -0.102 0.000 2.319 670 M HA -0.039 4.443 4.480 0.004 0.000 0.265 670 M C 1.722 177.975 176.300 -0.079 0.000 1.068 670 M CA 1.767 57.022 55.300 -0.075 0.000 1.118 670 M CB -0.805 31.758 32.600 -0.061 0.000 1.395 670 M HN 0.211 nan 8.290 nan 0.000 0.435 671 E N 0.910 121.045 120.200 -0.109 0.000 2.268 671 E HA -0.165 4.187 4.350 0.004 0.000 0.195 671 E C -0.023 176.525 176.600 -0.086 0.000 0.995 671 E CA 0.700 57.039 56.400 -0.102 0.000 0.836 671 E CB -0.300 29.317 29.700 -0.137 0.000 0.763 671 E HN 0.618 nan 8.360 nan 0.000 0.491 672 D N 0.817 121.165 120.400 -0.088 0.000 2.737 672 D HA -0.182 4.461 4.640 0.004 0.000 0.238 672 D C -0.545 175.721 176.300 -0.057 0.000 1.157 672 D CA 0.524 54.487 54.000 -0.061 0.000 0.694 672 D CB -0.681 40.095 40.800 -0.039 0.000 1.021 672 D HN 0.117 nan 8.370 nan 0.000 0.420 676 T N 0.314 114.814 114.554 -0.091 0.000 2.907 676 T HA 0.968 5.320 4.350 0.004 0.000 0.290 676 T C -1.097 173.554 174.700 -0.083 0.000 1.066 676 T CA -0.793 61.105 62.100 -0.336 0.000 1.012 676 T CB 2.677 71.372 68.868 -0.287 0.000 1.184 676 T HN 1.282 nan 8.240 nan 0.000 0.522 677 W N 0.127 121.361 121.300 -0.110 0.000 3.217 677 W HA 0.779 5.441 4.660 0.004 0.000 0.323 677 W C -1.132 175.297 176.519 -0.150 0.000 1.216 677 W CA -0.977 56.261 57.345 -0.178 0.000 1.194 677 W CB 0.916 30.242 29.460 -0.222 0.000 1.397 677 W HN 1.135 nan 8.180 nan 0.000 0.537 678 E N 0.343 120.541 120.200 -0.002 0.000 2.423 678 E HA 0.476 4.829 4.350 0.004 0.000 0.280 678 E C -1.968 174.554 176.600 -0.130 0.000 1.030 678 E CA -1.138 55.254 56.400 -0.012 0.000 0.812 678 E CB 1.458 31.175 29.700 0.028 0.000 1.313 678 E HN 0.456 nan 8.360 nan 0.000 0.456 679 W N 1.579 122.898 121.300 0.031 0.000 2.338 679 W HA 0.552 5.215 4.660 0.004 0.000 0.307 679 W C -0.477 176.054 176.519 0.020 0.000 1.167 679 W CA -0.358 56.995 57.345 0.013 0.000 1.208 679 W CB 0.901 30.362 29.460 0.002 0.000 1.228 679 W HN 0.282 nan 8.180 nan 0.000 0.499 680 L N 4.986 126.334 121.223 0.207 0.000 2.371 680 L HA 0.528 4.870 4.340 0.004 0.000 0.262 680 L C -2.228 174.717 176.870 0.125 0.000 1.006 680 L CA -2.609 52.314 54.840 0.138 0.000 0.818 680 L CB 2.263 44.381 42.059 0.099 0.000 1.354 680 L HN 0.045 nan 8.230 nan 0.000 0.415 681 P HA 0.044 nan 4.420 nan 0.000 0.265 681 P C 0.176 177.512 177.300 0.060 0.000 1.193 681 P CA -0.031 63.108 63.100 0.065 0.000 0.765 681 P CB 0.627 32.349 31.700 0.037 0.000 0.823 682 R N 2.435 122.970 120.500 0.058 0.000 2.113 682 R HA -0.212 4.131 4.340 0.004 0.000 0.244 682 R C 1.554 177.903 176.300 0.081 0.000 1.142 682 R CA 2.843 58.983 56.100 0.066 0.000 0.953 682 R CB -0.972 29.339 30.300 0.017 0.000 0.860 682 R HN 0.578 nan 8.270 nan 0.000 0.438 683 T N -2.080 112.512 114.554 0.064 0.000 2.812 683 T HA -0.058 4.295 4.350 0.004 0.000 0.264 683 T C 1.918 176.621 174.700 0.005 0.000 1.042 683 T CA 1.589 63.721 62.100 0.052 0.000 1.140 683 T CB -0.662 68.234 68.868 0.047 0.000 0.870 683 T HN 0.243 nan 8.240 nan 0.000 0.445 684 T N 2.488 117.040 114.554 -0.004 0.000 2.665 684 T HA -0.079 4.274 4.350 0.004 0.000 0.268 684 T C 2.475 177.130 174.700 -0.075 0.000 1.035 684 T CA 1.550 63.627 62.100 -0.040 0.000 1.151 684 T CB -0.881 67.975 68.868 -0.019 0.000 0.862 684 T HN 0.589 nan 8.240 nan 0.000 0.438 685 A N 1.522 124.335 122.820 -0.013 0.000 1.877 685 A HA -0.159 4.163 4.320 0.004 0.000 0.216 685 A C 2.221 179.789 177.584 -0.027 0.000 1.186 685 A CA 1.801 53.854 52.037 0.027 0.000 0.620 685 A CB -0.618 18.440 19.000 0.096 0.000 0.822 685 A HN 0.603 nan 8.150 nan 0.000 0.443 686 E N 0.061 120.251 120.200 -0.017 0.000 2.110 686 E HA -0.143 4.210 4.350 0.004 0.000 0.193 686 E C 1.037 177.534 176.600 -0.171 0.000 0.988 686 E CA 0.573 56.931 56.400 -0.071 0.000 0.804 686 E CB -0.118 29.586 29.700 0.008 0.000 0.745 686 E HN 0.736 nan 8.360 nan 0.000 0.458 690 G N 0.856 109.617 108.800 -0.065 0.000 2.782 690 G HA2 -0.276 3.686 3.960 0.004 0.000 0.228 690 G HA3 -0.276 3.686 3.960 0.004 0.000 0.228 690 G C 0.077 174.948 174.900 -0.048 0.000 1.372 690 G CA -0.077 44.926 45.100 -0.161 0.000 0.862 690 G HN 0.021 nan 8.290 nan 0.000 0.547 691 F N 0.710 120.807 119.950 0.245 0.000 2.748 691 F HA 0.141 4.671 4.527 0.004 0.000 0.299 691 F C 2.803 178.880 175.800 0.462 0.000 1.154 691 F CA 0.875 59.133 58.000 0.429 0.000 1.446 691 F CB -0.155 39.185 39.000 0.567 0.000 1.112 691 F HN 0.330 nan 8.300 nan 0.000 0.584 692 R N 0.265 120.994 120.500 0.382 0.000 2.200 692 R HA -0.163 4.179 4.340 0.004 0.000 0.234 692 R C 2.116 178.299 176.300 -0.195 0.000 1.127 692 R CA 0.803 56.896 56.100 -0.011 0.000 0.989 692 R CB -0.865 29.376 30.300 -0.098 0.000 0.869 692 R HN 0.380 nan 8.270 nan 0.000 0.459 693 L N -0.236 120.877 121.223 -0.183 0.000 2.089 693 L HA -0.215 4.128 4.340 0.004 0.000 0.213 693 L C 0.596 177.256 176.870 -0.350 0.000 1.079 693 L CA 1.330 55.935 54.840 -0.393 0.000 0.758 693 L CB -0.344 41.319 42.059 -0.659 0.000 0.891 693 L HN 0.131 nan 8.230 nan 0.000 0.433 694 Y N -0.038 120.365 120.300 0.171 0.000 2.812 694 Y HA 0.110 4.663 4.550 0.004 0.000 0.354 694 Y C 1.418 177.432 175.900 0.189 0.000 1.276 694 Y CA -0.575 57.658 58.100 0.221 0.000 1.639 694 Y CB -0.336 38.334 38.460 0.351 0.000 1.741 694 Y HN 0.100 nan 8.280 nan 0.000 0.479 695 Q N 0.772 120.572 119.800 0.001 0.000 2.036 695 Q HA 0.052 4.394 4.340 0.004 0.000 0.195 695 Q C 2.049 178.075 176.000 0.044 0.000 0.971 695 Q CA 1.157 56.849 55.803 -0.185 0.000 0.826 695 Q CB -0.580 27.942 28.738 -0.360 0.000 0.896 695 Q HN 0.727 nan 8.270 nan 0.000 0.449 696 G N 0.427 109.268 108.800 0.067 0.000 3.234 696 G HA2 0.360 4.322 3.960 0.004 0.000 0.221 696 G HA3 0.360 4.322 3.960 0.004 0.000 0.221 696 G C 0.404 175.398 174.900 0.157 0.000 1.229 696 G CA 0.585 45.752 45.100 0.113 0.000 0.909 696 G HN 0.505 nan 8.290 nan 0.000 0.510 697 G N -1.611 107.316 108.800 0.212 0.000 2.566 697 G HA2 -0.010 3.952 3.960 0.004 0.000 0.599 697 G HA3 -0.010 3.952 3.960 0.004 0.000 0.599 697 G C -0.713 174.340 174.900 0.255 0.000 1.292 697 G CA -0.491 44.736 45.100 0.212 0.000 0.922 697 G HN 0.731 nan 8.290 nan 0.000 0.514 698 V N 1.266 121.284 119.914 0.174 0.000 2.334 698 V HA 0.501 4.623 4.120 0.004 0.000 0.267 698 V C 1.177 177.353 176.094 0.136 0.000 1.040 698 V CA -0.007 62.349 62.300 0.093 0.000 0.866 698 V CB 0.713 32.532 31.823 -0.006 0.000 1.019 698 V HN 1.586 nan 8.190 nan 0.000 0.468 699 V N 5.303 125.309 119.914 0.155 0.000 2.614 699 V HA 0.503 4.626 4.120 0.004 0.000 0.291 699 V C -1.493 174.586 176.094 -0.026 0.000 1.049 699 V CA -1.321 61.049 62.300 0.116 0.000 1.038 699 V CB 0.543 32.451 31.823 0.142 0.000 0.980 699 V HN 0.697 nan 8.190 nan 0.000 0.481 700 P HA 0.566 nan 4.420 nan 0.000 0.275 700 P C 0.328 177.616 177.300 -0.019 0.000 1.266 700 P CA 0.969 64.105 63.100 0.060 0.000 0.793 700 P CB 0.676 32.529 31.700 0.254 0.000 1.074 701 G N -0.717 108.104 108.800 0.035 0.000 2.662 701 G HA2 -0.174 3.788 3.960 0.004 0.000 0.686 701 G HA3 -0.174 3.788 3.960 0.004 0.000 0.686 701 G C 0.415 175.322 174.900 0.012 0.000 1.271 701 G CA 0.040 45.181 45.100 0.068 0.000 0.816 701 G HN 0.698 nan 8.290 nan 0.000 0.608 702 R N 0.077 120.615 120.500 0.063 0.000 2.066 702 R HA 0.063 4.405 4.340 0.004 0.000 0.224 702 R C 0.582 176.924 176.300 0.070 0.000 1.122 702 R CA 1.228 57.361 56.100 0.054 0.000 0.974 702 R CB -0.059 30.274 30.300 0.056 0.000 0.871 702 R HN 0.587 nan 8.270 nan 0.000 0.435 703 E N 2.015 122.280 120.200 0.108 0.000 2.229 703 E HA 0.157 4.509 4.350 0.004 0.000 0.283 703 E C -0.340 176.447 176.600 0.312 0.000 1.030 703 E CA -0.237 56.280 56.400 0.195 0.000 0.836 703 E CB 1.539 31.343 29.700 0.175 0.000 1.068 703 E HN 0.383 nan 8.360 nan 0.000 0.401 704 I N -0.607 120.124 120.570 0.268 0.000 2.569 704 I HA 0.504 4.676 4.170 0.004 0.000 0.296 704 I C -0.151 175.922 176.117 -0.074 0.000 1.028 704 I CA -1.209 60.186 61.300 0.157 0.000 1.082 704 I CB 2.146 40.186 38.000 0.066 0.000 1.264 704 I HN 0.194 nan 8.210 nan 0.000 0.429 705 R N 4.667 124.847 120.500 -0.533 0.000 2.267 705 R HA 0.595 4.938 4.340 0.004 0.000 0.319 705 R C -1.483 174.535 176.300 -0.471 0.000 1.067 705 R CA -0.346 55.153 56.100 -1.002 0.000 0.936 705 R CB 1.150 30.481 30.300 -1.616 0.000 1.006 705 R HN 0.688 nan 8.270 nan 0.000 0.452 706 V N 5.980 125.689 119.914 -0.343 0.000 2.448 706 V HA 0.354 4.476 4.120 0.004 0.000 0.295 706 V C 0.009 175.992 176.094 -0.185 0.000 1.025 706 V CA -0.646 61.519 62.300 -0.225 0.000 0.859 706 V CB 1.731 33.463 31.823 -0.151 0.000 0.988 706 V HN 0.556 nan 8.190 nan 0.000 0.431 710 E N 4.770 124.999 120.200 0.047 0.000 2.558 710 E HA -0.019 4.333 4.350 0.004 0.000 0.255 710 E C -0.555 176.112 176.600 0.111 0.000 0.968 710 E CA -0.033 56.399 56.400 0.053 0.000 0.939 710 E CB 0.190 29.904 29.700 0.023 0.000 0.921 710 E HN 0.528 nan 8.360 nan 0.000 0.477 711 D N 1.675 122.142 120.400 0.111 0.000 2.811 711 D HA -0.234 4.408 4.640 0.004 0.000 0.231 711 D C -0.654 175.806 176.300 0.267 0.000 1.157 711 D CA 1.286 55.371 54.000 0.141 0.000 0.716 711 D CB -1.043 39.828 40.800 0.118 0.000 1.077 711 D HN 0.818 nan 8.370 nan 0.000 0.428 712 W N -0.001 121.275 121.300 -0.041 0.000 5.070 712 W HA 0.088 4.750 4.660 0.004 0.000 0.176 712 W C -0.719 175.756 176.519 -0.074 0.000 1.077 712 W CA 0.374 57.690 57.345 -0.049 0.000 1.880 712 W CB 1.002 30.437 29.460 -0.042 0.000 0.615 712 W HN -0.047 nan 8.180 nan 0.000 1.044 713 D N 0.861 121.260 120.400 -0.002 0.000 2.836 713 D HA 0.364 5.007 4.640 0.004 0.000 0.215 713 D C -2.037 174.168 176.300 -0.158 0.000 1.255 713 D CA -0.170 53.741 54.000 -0.148 0.000 0.822 713 D CB 2.409 43.155 40.800 -0.091 0.000 1.656 713 D HN -0.147 nan 8.370 nan 0.000 0.511 714 V N 3.542 123.292 119.914 -0.272 0.000 2.733 714 V HA 0.646 4.769 4.120 0.004 0.000 0.306 714 V C -1.763 174.108 176.094 -0.372 0.000 1.084 714 V CA -0.062 62.010 62.300 -0.380 0.000 0.905 714 V CB 1.667 33.086 31.823 -0.672 0.000 1.010 714 V HN 0.666 nan 8.190 nan 0.000 0.424 715 Q N 4.259 123.861 119.800 -0.331 0.000 2.340 715 Q HA 0.734 5.077 4.340 0.004 0.000 0.276 715 Q C -0.331 175.540 176.000 -0.215 0.000 1.048 715 Q CA -0.435 55.193 55.803 -0.291 0.000 0.832 715 Q CB 2.476 31.011 28.738 -0.339 0.000 1.373 715 Q HN 1.074 nan 8.270 nan 0.000 0.409 719 G N 0.144 109.026 108.800 0.137 0.000 2.511 719 G HA2 0.607 4.569 3.960 0.004 0.000 0.316 719 G HA3 0.607 4.569 3.960 0.004 0.000 0.316 719 G C 0.214 174.900 174.900 -0.356 0.000 1.210 719 G CA 0.145 45.169 45.100 -0.127 0.000 0.969 719 G HN 0.721 nan 8.290 nan 0.000 0.492 720 T N -1.553 112.619 114.554 -0.637 0.000 2.771 720 T HA 0.525 4.877 4.350 0.004 0.000 0.291 720 T C -0.400 173.838 174.700 -0.770 0.000 0.954 720 T CA -0.545 61.212 62.100 -0.571 0.000 1.045 720 T CB 0.851 69.436 68.868 -0.471 0.000 0.917 720 T HN 0.482 nan 8.240 nan 0.000 0.484 721 H N 1.878 120.556 119.070 -0.654 0.000 2.731 721 H HA 0.442 5.000 4.556 0.004 0.000 0.368 721 H C 0.052 175.261 175.328 -0.199 0.000 1.168 721 H CA -0.803 54.965 56.048 -0.467 0.000 1.181 721 H CB 1.872 31.345 29.762 -0.483 0.000 1.743 721 H HN 0.507 nan 8.280 nan 0.000 0.547 722 L N 2.911 124.193 121.223 0.099 0.000 2.452 722 L HA 0.098 4.441 4.340 0.004 0.000 0.267 722 L C -1.152 175.970 176.870 0.421 0.000 1.188 722 L CA -1.469 53.516 54.840 0.242 0.000 0.821 722 L CB 0.584 42.746 42.059 0.171 0.000 1.102 722 L HN 0.484 nan 8.230 nan 0.000 0.470 723 P HA -0.010 nan 4.420 nan 0.000 0.245 723 P C -0.253 177.133 177.300 0.144 0.000 1.212 723 P CA 0.441 63.721 63.100 0.301 0.000 0.774 723 P CB 0.359 32.207 31.700 0.247 0.000 0.999 724 S N -2.509 113.276 115.700 0.143 0.000 2.547 724 S HA 0.307 4.780 4.470 0.004 0.000 0.270 724 S C 0.803 175.436 174.600 0.054 0.000 1.150 724 S CA -0.069 58.172 58.200 0.067 0.000 0.850 724 S CB 0.792 64.013 63.200 0.035 0.000 1.118 724 S HN -0.019 nan 8.310 nan 0.000 0.461 725 T N -1.099 113.459 114.554 0.007 0.000 2.995 725 T HA 0.114 4.467 4.350 0.004 0.000 0.269 725 T C 1.956 176.643 174.700 -0.021 0.000 1.091 725 T CA 1.373 63.463 62.100 -0.018 0.000 1.128 725 T CB -1.078 67.739 68.868 -0.084 0.000 0.891 725 T HN 1.090 nan 8.240 nan 0.000 0.492 726 G N 1.554 110.345 108.800 -0.016 0.000 2.448 726 G HA2 -0.012 3.950 3.960 0.004 0.000 0.219 726 G HA3 -0.012 3.950 3.960 0.004 0.000 0.219 726 G C 1.396 176.301 174.900 0.007 0.000 1.127 726 G CA 0.474 45.566 45.100 -0.014 0.000 0.766 726 G HN 0.557 nan 8.290 nan 0.000 0.552 727 L N 0.491 121.734 121.223 0.034 0.000 2.478 727 L HA 0.037 4.380 4.340 0.004 0.000 0.223 727 L C 2.654 179.542 176.870 0.030 0.000 1.140 727 L CA -0.201 54.673 54.840 0.057 0.000 0.842 727 L CB 0.014 42.145 42.059 0.119 0.000 0.953 727 L HN 0.049 nan 8.230 nan 0.000 0.452 728 V N 0.001 119.920 119.914 0.009 0.000 2.490 728 V HA -0.031 4.091 4.120 0.004 0.000 0.250 728 V C 1.476 177.547 176.094 -0.039 0.000 1.061 728 V CA 1.175 63.461 62.300 -0.022 0.000 1.064 728 V CB -1.305 30.508 31.823 -0.016 0.000 0.670 728 V HN 0.669 nan 8.190 nan 0.000 0.461 729 G N -0.023 108.764 108.800 -0.022 0.000 2.750 729 G HA2 -0.171 3.792 3.960 0.004 0.000 0.228 729 G HA3 -0.171 3.792 3.960 0.004 0.000 0.228 729 G C -2.704 172.183 174.900 -0.022 0.000 1.367 729 G CA -0.550 44.538 45.100 -0.020 0.000 0.871 729 G HN 0.353 nan 8.290 nan 0.000 0.560 730 P HA 0.409 nan 4.420 nan 0.000 0.266 730 P C 0.304 177.611 177.300 0.010 0.000 1.195 730 P CA 0.065 63.164 63.100 -0.003 0.000 0.768 730 P CB 0.407 32.111 31.700 0.007 0.000 0.838 734 L N 3.393 124.686 121.223 0.117 0.000 2.316 734 L HA 0.336 4.679 4.340 0.004 0.000 0.207 734 L C 0.586 177.472 176.870 0.025 0.000 1.070 734 L CA 1.059 55.933 54.840 0.056 0.000 0.820 734 L CB -0.406 41.671 42.059 0.031 0.000 0.992 734 L HN 0.616 nan 8.230 nan 0.000 0.466 735 R N -1.802 118.720 120.500 0.036 0.000 2.594 735 R HA 0.488 4.830 4.340 0.004 0.000 0.265 735 R C -1.129 175.191 176.300 0.034 0.000 1.070 735 R CA -0.131 55.976 56.100 0.011 0.000 0.909 735 R CB 1.315 31.595 30.300 -0.034 0.000 1.243 735 R HN -0.102 nan 8.270 nan 0.000 0.455 736 T N 1.985 116.554 114.554 0.025 0.000 2.893 736 T HA 0.714 5.067 4.350 0.004 0.000 0.291 736 T C -1.729 172.983 174.700 0.019 0.000 1.028 736 T CA -0.404 61.714 62.100 0.031 0.000 0.995 736 T CB 0.770 69.659 68.868 0.035 0.000 1.051 736 T HN 0.660 nan 8.240 nan 0.000 0.470 737 E N 2.325 122.540 120.200 0.024 0.000 2.388 737 E HA 0.346 4.698 4.350 0.004 0.000 0.280 737 E C -1.205 175.412 176.600 0.027 0.000 1.019 737 E CA -1.175 55.235 56.400 0.017 0.000 0.806 737 E CB 1.407 31.107 29.700 -0.000 0.000 1.246 737 E HN 0.555 nan 8.360 nan 0.000 0.443 738 R N 2.224 122.738 120.500 0.023 0.000 2.298 738 R HA 0.201 4.544 4.340 0.004 0.000 0.310 738 R C 0.429 176.743 176.300 0.024 0.000 1.068 738 R CA -0.341 55.776 56.100 0.028 0.000 0.957 738 R CB 0.490 30.802 30.300 0.021 0.000 1.003 738 R HN 0.583 nan 8.270 nan 0.000 0.454 739 I N 2.726 123.316 120.570 0.033 0.000 2.429 739 I HA -0.055 4.118 4.170 0.004 0.000 0.247 739 I C 0.773 176.905 176.117 0.025 0.000 1.099 739 I CA 1.150 62.467 61.300 0.028 0.000 1.422 739 I CB -0.883 37.140 38.000 0.038 0.000 1.112 739 I HN 0.729 nan 8.210 nan 0.000 0.430 740 Q N -0.772 119.047 119.800 0.031 0.000 2.737 740 Q HA 0.308 4.650 4.340 0.004 0.000 0.307 740 Q C -1.524 174.495 176.000 0.032 0.000 0.905 740 Q CA -0.894 54.925 55.803 0.027 0.000 0.753 740 Q CB 0.974 29.728 28.738 0.027 0.000 1.463 740 Q HN -0.132 nan 8.270 nan 0.000 0.455 741 D N 0.345 120.761 120.400 0.027 0.000 2.487 741 D HA 0.293 4.936 4.640 0.004 0.000 0.243 741 D C 1.063 177.389 176.300 0.044 0.000 1.154 741 D CA 2.397 56.414 54.000 0.029 0.000 0.876 741 D CB 0.693 41.506 40.800 0.022 0.000 1.161 741 D HN 0.897 nan 8.370 nan 0.000 0.478 742 G N 1.097 109.927 108.800 0.051 0.000 2.176 742 G HA2 -0.225 3.738 3.960 0.004 0.000 0.253 742 G HA3 -0.225 3.738 3.960 0.004 0.000 0.253 742 G C 0.087 175.053 174.900 0.109 0.000 0.979 742 G CA 0.223 45.371 45.100 0.081 0.000 0.641 742 G HN 0.529 nan 8.290 nan 0.000 0.530 743 V N 1.273 121.242 119.914 0.091 0.000 2.482 743 V HA 0.641 4.763 4.120 0.004 0.000 0.295 743 V C -0.738 175.413 176.094 0.095 0.000 1.026 743 V CA -1.106 61.257 62.300 0.104 0.000 0.856 743 V CB 1.822 33.696 31.823 0.086 0.000 1.001 743 V HN 0.253 nan 8.190 nan 0.000 0.424 744 E N 3.515 123.787 120.200 0.120 0.000 2.199 744 E HA 0.508 4.861 4.350 0.004 0.000 0.269 744 E C -0.654 176.000 176.600 0.091 0.000 0.899 744 E CA -0.791 55.672 56.400 0.105 0.000 0.772 744 E CB 3.074 32.862 29.700 0.147 0.000 1.155 744 E HN 0.616 nan 8.360 nan 0.000 0.408 745 R N 2.983 123.527 120.500 0.074 0.000 2.474 745 R HA 0.547 4.889 4.340 0.004 0.000 0.295 745 R C -0.561 175.790 176.300 0.084 0.000 0.980 745 R CA -0.415 55.732 56.100 0.079 0.000 0.934 745 R CB 0.759 31.094 30.300 0.059 0.000 1.101 745 R HN 0.485 nan 8.270 nan 0.000 0.469 746 I N 5.907 126.553 120.570 0.126 0.000 2.406 746 I HA 0.329 4.501 4.170 0.004 0.000 0.290 746 I C -0.417 175.868 176.117 0.280 0.000 0.999 746 I CA -0.867 60.533 61.300 0.166 0.000 1.124 746 I CB 1.960 40.040 38.000 0.133 0.000 1.289 746 I HN 0.554 nan 8.210 nan 0.000 0.441 747 I N 7.090 127.789 120.570 0.216 0.000 2.378 747 I HA 0.452 4.625 4.170 0.004 0.000 0.291 747 I C -0.692 175.596 176.117 0.285 0.000 0.992 747 I CA -0.572 60.831 61.300 0.172 0.000 1.154 747 I CB 1.214 39.187 38.000 -0.045 0.000 1.315 747 I HN 0.425 nan 8.210 nan 0.000 0.448 748 F N 4.241 124.281 119.950 0.150 0.000 2.662 748 F HA 0.947 5.477 4.527 0.004 0.000 0.312 748 F C -0.939 175.012 175.800 0.252 0.000 1.113 748 F CA -1.048 57.044 58.000 0.153 0.000 0.951 748 F CB 1.451 40.522 39.000 0.119 0.000 1.344 748 F HN 0.379 nan 8.300 nan 0.000 0.462 749 A N 0.739 123.752 122.820 0.322 0.000 2.386 749 A HA 0.787 5.109 4.320 0.004 0.000 0.311 749 A C -1.573 176.122 177.584 0.186 0.000 1.068 749 A CA -0.713 51.508 52.037 0.305 0.000 0.743 749 A CB 1.180 20.326 19.000 0.242 0.000 1.258 749 A HN 1.007 nan 8.150 nan 0.000 0.429 750 C N 0.894 120.131 119.300 -0.104 0.000 2.408 750 C HA 0.995 5.458 4.460 0.004 0.000 0.321 750 C C 0.626 175.496 174.990 -0.201 0.000 1.245 750 C CA 0.339 59.215 59.018 -0.237 0.000 1.523 750 C CB 0.429 27.896 27.740 -0.454 0.000 2.178 750 C HN 2.054 nan 8.230 nan 0.000 0.488 751 G N 2.776 111.526 108.800 -0.084 0.000 2.459 751 G HA2 0.090 4.052 3.960 0.004 0.000 0.685 751 G HA3 0.090 4.052 3.960 0.004 0.000 0.685 751 G C -0.969 173.926 174.900 -0.009 0.000 1.303 751 G CA -0.862 44.210 45.100 -0.047 0.000 0.907 751 G HN 0.666 nan 8.290 nan 0.000 0.632 752 E N 0.000 120.199 120.200 -0.002 0.000 2.725 752 E HA 0.000 4.353 4.350 0.004 0.000 0.291 752 E CA 0.000 56.404 56.400 0.007 0.000 0.976 752 E CB 0.000 29.704 29.700 0.007 0.000 0.812 752 E HN 0.000 nan 8.360 nan 0.000 0.440