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 1we3_1_D DATA FIRST_RESID 3 DATA SEQUENCE AKILVFDEAA RRALERGVNA VANAVKVTLG PRGRNVVLEK KFGSPTITKD DATA SEQUENCE GVTVAKEVEL EDHLENIGAQ LLKEVASKTN DVAGDGTTTA TVLAQAIVRE DATA SEQUENCE GLKNVAAGAN PLALKRGIEK AVEAAVEKIK ALAIPVEDRK AIEEVATISA DATA SEQUENCE NDPEVGKLIA DAMEKVGKEG IITVEESKSL ETELKFVEGY QFDKGYISPY DATA SEQUENCE FVTNPETMEA VLEDAFILIV EKKVSNVREL LPILEQVAQT GKPLLIIAED DATA SEQUENCE VEGEALATLV VNKLRGTLSV AAVKAPGFGD RRKEMLKDIA AVTGGTVISE DATA SEQUENCE ELGFKLENAT LSMLGRAERV RITKDETTIV GGKGKKEDIE ARINGIKKEL DATA SEQUENCE ETTDSEYARE KLQERLAKLA GGVAVIRVGA ATETELKEKK HRFEDALNAT DATA SEQUENCE RAAVEEGIVP GGGVTLLRAI SAVEELIKKL EGDEATGAKI VRRALEEPAR DATA SEQUENCE QIAENAGYEG SVIVQQILAE TKNPRYGFNA ATGEFVDMVE AGIVDPAKVT DATA SEQUENCE RSALQNAASI GALILTTEAV VAEKPE 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.545 177.584 -0.065 0.000 1.274 3 A CA 0.000 52.011 52.037 -0.043 0.000 0.836 3 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 4 K N 0.248 120.617 120.400 -0.052 0.000 2.106 4 K HA 0.702 5.022 4.320 0.000 0.000 0.246 4 K C -0.850 175.722 176.600 -0.047 0.000 0.987 4 K CA -0.317 55.933 56.287 -0.061 0.000 0.904 4 K CB 2.026 34.497 32.500 -0.048 0.000 1.071 4 K HN 0.579 nan 8.250 nan 0.000 0.453 5 I N 1.176 121.714 120.570 -0.053 0.000 2.569 5 I HA 0.297 4.467 4.170 0.000 0.000 0.290 5 I C -1.535 174.562 176.117 -0.033 0.000 1.088 5 I CA -0.874 60.410 61.300 -0.027 0.000 1.047 5 I CB 1.139 39.121 38.000 -0.030 0.000 1.237 5 I HN 0.373 nan 8.210 nan 0.000 0.421 6 L N 8.185 129.410 121.223 0.004 0.000 2.277 6 L HA 0.490 4.830 4.340 0.000 0.000 0.284 6 L C -0.638 176.233 176.870 0.002 0.000 1.028 6 L CA -0.782 54.029 54.840 -0.050 0.000 0.835 6 L CB 1.377 43.464 42.059 0.047 0.000 1.215 6 L HN 0.351 nan 8.230 nan 0.000 0.425 7 V N 3.523 123.363 119.914 -0.122 0.000 2.472 7 V HA 0.476 4.596 4.120 0.000 0.000 0.290 7 V C -0.079 175.942 176.094 -0.121 0.000 1.037 7 V CA -0.251 62.051 62.300 0.003 0.000 0.908 7 V CB 1.501 33.321 31.823 -0.006 0.000 0.985 7 V HN 0.369 nan 8.190 nan 0.000 0.454 8 F N 0.427 120.378 119.950 0.003 0.000 2.697 8 F HA 0.519 5.046 4.527 -0.000 0.000 0.386 8 F C 1.021 176.823 175.800 0.003 0.000 1.154 8 F CA -0.760 57.241 58.000 0.003 0.000 1.108 8 F CB 0.157 39.158 39.000 0.002 0.000 1.429 8 F HN 0.523 nan 8.300 nan 0.000 0.509 9 D N 0.392 120.947 120.400 0.258 0.000 3.470 9 D HA -0.258 4.382 4.640 0.000 0.000 0.175 9 D C 1.531 177.880 176.300 0.082 0.000 1.216 9 D CA 1.574 55.653 54.000 0.131 0.000 0.889 9 D CB -0.008 40.853 40.800 0.103 0.000 0.506 9 D HN 0.579 nan 8.370 nan 0.000 0.500 10 E N -0.241 119.995 120.200 0.060 0.000 2.187 10 E HA -0.221 4.129 4.350 0.000 0.000 0.199 10 E C 1.926 178.551 176.600 0.041 0.000 1.004 10 E CA 1.503 57.928 56.400 0.042 0.000 0.813 10 E CB -0.504 29.216 29.700 0.032 0.000 0.736 10 E HN 0.466 nan 8.360 nan 0.000 0.468 11 A N 1.473 124.326 122.820 0.054 0.000 1.883 11 A HA -0.169 4.151 4.320 0.000 0.000 0.217 11 A C 2.449 180.058 177.584 0.041 0.000 1.186 11 A CA 2.428 54.495 52.037 0.050 0.000 0.624 11 A CB -0.660 18.382 19.000 0.069 0.000 0.822 11 A HN 0.308 nan 8.150 nan 0.000 0.444 12 A N -0.127 122.720 122.820 0.044 0.000 1.841 12 A HA -0.155 4.165 4.320 0.000 0.000 0.214 12 A C 2.223 179.815 177.584 0.012 0.000 1.195 12 A CA 1.542 53.589 52.037 0.017 0.000 0.611 12 A CB -0.568 18.430 19.000 -0.003 0.000 0.835 12 A HN 0.559 nan 8.150 nan 0.000 0.443 13 R N -0.984 119.526 120.500 0.017 0.000 2.103 13 R HA -0.140 4.201 4.340 0.000 0.000 0.242 13 R C 2.330 178.637 176.300 0.012 0.000 1.142 13 R CA 1.438 57.546 56.100 0.013 0.000 0.960 13 R CB -0.393 29.917 30.300 0.016 0.000 0.858 13 R HN 0.295 nan 8.270 nan 0.000 0.439 14 R N 0.719 121.229 120.500 0.016 0.000 2.073 14 R HA -0.051 4.289 4.340 0.000 0.000 0.234 14 R C 2.277 178.584 176.300 0.011 0.000 1.134 14 R CA 1.665 57.774 56.100 0.014 0.000 0.952 14 R CB -1.100 29.209 30.300 0.016 0.000 0.850 14 R HN 0.301 nan 8.270 nan 0.000 0.433 15 A N 1.316 124.144 122.820 0.013 0.000 1.865 15 A HA -0.138 4.182 4.320 0.000 0.000 0.217 15 A C 2.458 180.047 177.584 0.008 0.000 1.191 15 A CA 1.349 53.393 52.037 0.012 0.000 0.623 15 A CB -0.730 18.279 19.000 0.016 0.000 0.826 15 A HN 0.204 nan 8.150 nan 0.000 0.444 16 L N -0.905 120.321 121.223 0.006 0.000 1.990 16 L HA -0.271 4.070 4.340 0.000 0.000 0.213 16 L C 2.745 179.617 176.870 0.003 0.000 1.072 16 L CA 2.142 56.984 54.840 0.003 0.000 0.755 16 L CB -0.665 41.394 42.059 0.001 0.000 0.889 16 L HN 0.656 nan 8.230 nan 0.000 0.432 17 E N 0.273 120.476 120.200 0.004 0.000 2.130 17 E HA -0.283 4.067 4.350 0.000 0.000 0.196 17 E C 2.317 178.918 176.600 0.002 0.000 0.998 17 E CA 1.388 57.791 56.400 0.004 0.000 0.806 17 E CB 0.032 29.735 29.700 0.005 0.000 0.738 17 E HN 0.313 nan 8.360 nan 0.000 0.459 18 R N -0.529 119.973 120.500 0.003 0.000 2.091 18 R HA -0.123 4.217 4.340 0.000 0.000 0.238 18 R C 2.499 178.797 176.300 -0.002 0.000 1.136 18 R CA 1.289 57.390 56.100 0.001 0.000 0.959 18 R CB -0.510 29.791 30.300 0.002 0.000 0.856 18 R HN 0.319 nan 8.270 nan 0.000 0.437 19 G N 0.171 108.970 108.800 -0.002 0.000 2.421 19 G HA2 -0.215 3.745 3.960 0.000 0.000 0.216 19 G HA3 -0.215 3.745 3.960 0.000 0.000 0.216 19 G C 1.458 176.355 174.900 -0.005 0.000 1.171 19 G CA 0.803 45.900 45.100 -0.006 0.000 0.775 19 G HN 0.135 nan 8.290 nan 0.000 0.543 20 V N 1.880 121.793 119.914 -0.002 0.000 2.250 20 V HA -0.282 3.838 4.120 0.000 0.000 0.250 20 V C 2.687 178.780 176.094 -0.002 0.000 1.060 20 V CA 2.111 64.410 62.300 -0.002 0.000 1.030 20 V CB -0.527 31.296 31.823 0.000 0.000 0.643 20 V HN 0.378 nan 8.190 nan 0.000 0.445 21 N N 0.203 118.902 118.700 -0.001 0.000 2.166 21 N HA -0.123 4.617 4.740 0.000 0.000 0.186 21 N C 1.944 177.452 175.510 -0.003 0.000 1.019 21 N CA 1.571 54.620 53.050 -0.001 0.000 0.856 21 N CB -0.424 38.063 38.487 -0.000 0.000 0.993 21 N HN 0.517 nan 8.380 nan 0.000 0.426 22 A N 1.211 124.028 122.820 -0.005 0.000 1.873 22 A HA -0.146 4.174 4.320 0.000 0.000 0.218 22 A C 2.588 180.167 177.584 -0.008 0.000 1.193 22 A CA 1.772 53.804 52.037 -0.008 0.000 0.629 22 A CB -0.933 18.061 19.000 -0.010 0.000 0.826 22 A HN 0.110 nan 8.150 nan 0.000 0.447 23 V N -0.338 119.572 119.914 -0.008 0.000 2.244 23 V HA -0.198 3.922 4.120 0.000 0.000 0.244 23 V C 3.090 179.180 176.094 -0.006 0.000 1.042 23 V CA 1.925 64.220 62.300 -0.008 0.000 1.006 23 V CB -1.425 30.394 31.823 -0.008 0.000 0.641 23 V HN 0.653 nan 8.190 nan 0.000 0.446 24 A N 0.851 123.669 122.820 -0.004 0.000 1.927 24 A HA -0.302 4.018 4.320 0.000 0.000 0.220 24 A C 1.966 179.549 177.584 -0.002 0.000 1.185 24 A CA 2.455 54.491 52.037 -0.002 0.000 0.639 24 A CB -0.786 18.214 19.000 -0.000 0.000 0.820 24 A HN 0.643 nan 8.150 nan 0.000 0.451 25 N N -0.109 118.590 118.700 -0.002 0.000 2.459 25 N HA 0.038 4.778 4.740 0.000 0.000 0.181 25 N C 1.645 177.154 175.510 -0.003 0.000 1.046 25 N CA 1.171 54.220 53.050 -0.002 0.000 0.904 25 N CB -0.391 38.095 38.487 -0.002 0.000 0.964 25 N HN 0.531 nan 8.380 nan 0.000 0.444 26 A N 0.395 123.212 122.820 -0.005 0.000 1.970 26 A HA 0.047 4.368 4.320 0.000 0.000 0.216 26 A C 2.391 179.971 177.584 -0.007 0.000 1.170 26 A CA 0.633 52.665 52.037 -0.007 0.000 0.645 26 A CB -0.306 18.688 19.000 -0.010 0.000 0.816 26 A HN 0.059 nan 8.150 nan 0.000 0.447 27 V N 1.408 121.319 119.914 -0.006 0.000 2.255 27 V HA -0.257 3.863 4.120 0.000 0.000 0.243 27 V C 2.452 178.545 176.094 -0.002 0.000 1.038 27 V CA 2.199 64.496 62.300 -0.004 0.000 1.008 27 V CB -0.801 31.020 31.823 -0.003 0.000 0.645 27 V HN 0.828 nan 8.190 nan 0.000 0.449 28 K N 0.671 121.072 120.400 0.000 0.000 2.366 28 K HA -0.169 4.152 4.320 0.000 0.000 0.202 28 K C 1.658 178.261 176.600 0.004 0.000 1.045 28 K CA 1.670 57.959 56.287 0.003 0.000 0.934 28 K CB -0.798 31.704 32.500 0.005 0.000 0.746 28 K HN 0.346 nan 8.250 nan 0.000 0.470 29 V N 2.166 122.081 119.914 0.002 0.000 2.867 29 V HA -0.207 3.913 4.120 0.000 0.000 0.260 29 V C 2.486 178.582 176.094 0.003 0.000 1.099 29 V CA 2.064 64.365 62.300 0.003 0.000 1.122 29 V CB -0.731 31.091 31.823 -0.001 0.000 0.708 29 V HN 0.769 nan 8.190 nan 0.000 0.490 30 T N -2.819 111.735 114.554 0.001 0.000 3.039 30 T HA 0.133 4.483 4.350 0.000 0.000 0.250 30 T C 0.787 175.488 174.700 0.001 0.000 1.052 30 T CA -0.225 61.875 62.100 0.000 0.000 1.125 30 T CB -0.173 68.694 68.868 -0.001 0.000 0.908 30 T HN 0.181 nan 8.240 nan 0.000 0.473 31 L N 3.056 124.281 121.223 0.003 0.000 2.628 31 L HA 0.361 4.701 4.340 0.000 0.000 0.292 31 L C 1.004 177.874 176.870 -0.000 0.000 1.250 31 L CA 1.774 56.614 54.840 0.001 0.000 0.892 31 L CB -1.027 41.035 42.059 0.004 0.000 1.138 31 L HN 0.881 nan 8.230 nan 0.000 0.502 32 G N 4.005 112.799 108.800 -0.010 0.000 2.828 32 G HA2 -0.185 3.775 3.960 0.000 0.000 0.463 32 G HA3 -0.185 3.775 3.960 0.000 0.000 0.463 32 G C -1.864 173.021 174.900 -0.024 0.000 1.394 32 G CA -0.247 44.841 45.100 -0.020 0.000 0.862 32 G HN 0.656 nan 8.290 nan 0.000 0.540 33 P HA -0.052 nan 4.420 nan 0.000 0.219 33 P C 1.411 178.697 177.300 -0.024 0.000 1.150 33 P CA 1.109 64.183 63.100 -0.044 0.000 0.814 33 P CB 0.091 31.748 31.700 -0.073 0.000 0.787 34 R N -0.089 120.408 120.500 -0.006 0.000 2.300 34 R HA 0.204 4.544 4.340 0.000 0.000 0.199 34 R C 1.420 177.729 176.300 0.014 0.000 0.920 34 R CA 0.046 56.155 56.100 0.015 0.000 1.046 34 R CB -1.059 29.271 30.300 0.050 0.000 0.984 34 R HN 0.159 nan 8.270 nan 0.000 0.493 35 G N 1.471 110.275 108.800 0.007 0.000 2.568 35 G HA2 -0.000 3.960 3.960 0.000 0.000 0.231 35 G HA3 -0.000 3.960 3.960 0.000 0.000 0.231 35 G C -0.112 174.789 174.900 0.002 0.000 1.261 35 G CA -0.139 44.964 45.100 0.006 0.000 0.855 35 G HN 0.181 nan 8.290 nan 0.000 0.576 36 R N 0.265 120.767 120.500 0.002 0.000 2.893 36 R HA 0.373 4.713 4.340 0.000 0.000 0.245 36 R C -0.154 176.144 176.300 -0.004 0.000 1.192 36 R CA -0.938 55.161 56.100 -0.001 0.000 1.077 36 R CB 0.876 31.176 30.300 0.001 0.000 1.253 36 R HN 0.527 nan 8.270 nan 0.000 0.505 37 N N -0.272 118.425 118.700 -0.006 0.000 2.487 37 N HA 0.296 5.036 4.740 0.000 0.000 0.292 37 N C -0.918 174.585 175.510 -0.011 0.000 1.108 37 N CA -0.428 52.617 53.050 -0.009 0.000 0.956 37 N CB 1.596 40.077 38.487 -0.010 0.000 1.176 37 N HN 0.088 nan 8.380 nan 0.000 0.484 38 V N 1.113 121.018 119.914 -0.015 0.000 2.612 38 V HA 0.334 4.454 4.120 0.000 0.000 0.301 38 V C 0.112 176.194 176.094 -0.019 0.000 1.046 38 V CA -0.783 61.507 62.300 -0.017 0.000 0.946 38 V CB 1.957 33.769 31.823 -0.019 0.000 1.003 38 V HN 0.308 nan 8.190 nan 0.000 0.459 39 V N 5.935 125.838 119.914 -0.018 0.000 2.328 39 V HA 0.395 4.515 4.120 0.000 0.000 0.278 39 V C -0.166 175.916 176.094 -0.020 0.000 1.021 39 V CA -0.368 61.921 62.300 -0.018 0.000 0.838 39 V CB 1.227 33.042 31.823 -0.015 0.000 0.999 39 V HN 0.581 nan 8.190 nan 0.000 0.447 40 L N 4.493 125.702 121.223 -0.022 0.000 2.264 40 L HA 0.504 4.844 4.340 0.000 0.000 0.289 40 L C 0.542 177.400 176.870 -0.019 0.000 1.044 40 L CA -0.253 54.574 54.840 -0.023 0.000 0.807 40 L CB 1.316 43.359 42.059 -0.027 0.000 1.192 40 L HN 0.655 nan 8.230 nan 0.000 0.425 41 E N 4.131 124.318 120.200 -0.021 0.000 2.316 41 E HA 0.134 4.484 4.350 0.000 0.000 0.275 41 E C -0.862 175.727 176.600 -0.018 0.000 1.029 41 E CA -0.569 55.818 56.400 -0.022 0.000 0.871 41 E CB 0.788 30.471 29.700 -0.030 0.000 1.022 41 E HN 0.293 nan 8.360 nan 0.000 0.418 42 K N 3.559 123.953 120.400 -0.010 0.000 2.164 42 K HA 0.196 4.516 4.320 0.000 0.000 0.258 42 K C 0.646 177.242 176.600 -0.006 0.000 0.951 42 K CA -0.570 55.723 56.287 0.010 0.000 0.844 42 K CB 1.420 33.942 32.500 0.036 0.000 1.099 42 K HN 0.478 nan 8.250 nan 0.000 0.435 43 K N 0.895 121.299 120.400 0.007 0.000 2.127 43 K HA -0.173 4.148 4.320 0.000 0.000 0.208 43 K C 0.993 177.391 176.600 -0.337 0.000 1.047 43 K CA 1.911 58.123 56.287 -0.125 0.000 0.927 43 K CB -0.078 32.436 32.500 0.023 0.000 0.716 43 K HN 0.358 nan 8.250 nan 0.000 0.450 44 F N -0.946 118.997 119.950 -0.012 0.000 2.347 44 F HA 0.213 4.741 4.527 0.001 0.000 0.266 44 F C 1.781 177.575 175.800 -0.010 0.000 0.884 44 F CA -0.058 57.936 58.000 -0.011 0.000 1.123 44 F CB -0.709 38.285 39.000 -0.010 0.000 1.098 44 F HN -0.034 nan 8.300 nan 0.000 0.803 45 G N 0.281 109.201 108.800 0.201 0.000 2.468 45 G HA2 0.308 4.269 3.960 0.000 0.000 0.264 45 G HA3 0.308 4.269 3.960 0.000 0.000 0.264 45 G C 0.177 175.110 174.900 0.055 0.000 1.460 45 G CA 0.204 45.365 45.100 0.102 0.000 1.060 45 G HN 0.319 nan 8.290 nan 0.000 0.543 46 S N 0.596 116.318 115.700 0.036 0.000 2.608 46 S HA 0.452 4.922 4.470 0.000 0.000 0.261 46 S C -1.696 172.913 174.600 0.015 0.000 1.314 46 S CA -0.615 57.596 58.200 0.019 0.000 0.992 46 S CB 1.377 64.585 63.200 0.014 0.000 0.935 46 S HN 0.548 nan 8.310 nan 0.000 0.564 47 P HA 0.313 nan 4.420 nan 0.000 0.293 47 P C -0.768 176.530 177.300 -0.004 0.000 1.304 47 P CA -0.473 62.626 63.100 -0.001 0.000 0.767 47 P CB 0.241 31.936 31.700 -0.008 0.000 1.247 48 T N 0.744 115.291 114.554 -0.011 0.000 2.758 48 T HA 0.488 4.838 4.350 0.000 0.000 0.285 48 T C 0.139 174.824 174.700 -0.025 0.000 0.981 48 T CA -0.215 61.872 62.100 -0.021 0.000 0.965 48 T CB -0.202 68.647 68.868 -0.032 0.000 0.927 48 T HN 0.178 nan 8.240 nan 0.000 0.448 49 I N 4.210 124.767 120.570 -0.023 0.000 2.371 49 I HA 0.287 4.457 4.170 0.000 0.000 0.282 49 I C 0.493 176.592 176.117 -0.029 0.000 1.031 49 I CA -0.419 60.868 61.300 -0.022 0.000 1.180 49 I CB 0.948 38.941 38.000 -0.012 0.000 1.336 49 I HN 0.573 nan 8.210 nan 0.000 0.467 50 T N 3.835 118.364 114.554 -0.041 0.000 2.870 50 T HA 0.391 4.741 4.350 0.000 0.000 0.277 50 T C 0.521 175.202 174.700 -0.033 0.000 1.000 50 T CA -0.755 61.312 62.100 -0.055 0.000 0.982 50 T CB 2.319 71.127 68.868 -0.101 0.000 1.249 50 T HN 0.559 nan 8.240 nan 0.000 0.589 51 K N 0.058 120.442 120.400 -0.026 0.000 2.586 51 K HA 0.121 4.441 4.320 0.000 0.000 0.198 51 K C -0.731 175.870 176.600 0.001 0.000 1.170 51 K CA -0.133 56.150 56.287 -0.007 0.000 1.069 51 K CB 0.681 33.183 32.500 0.003 0.000 0.944 51 K HN 0.578 nan 8.250 nan 0.000 0.572 52 D N 0.043 120.431 120.400 -0.021 0.000 2.232 52 D HA 0.132 4.772 4.640 0.000 0.000 0.242 52 D C 0.841 177.135 176.300 -0.010 0.000 1.093 52 D CA 0.083 54.082 54.000 -0.002 0.000 0.845 52 D CB 1.706 42.473 40.800 -0.055 0.000 1.124 52 D HN 0.330 nan 8.370 nan 0.000 0.467 53 G N 3.160 111.966 108.800 0.010 0.000 2.806 53 G HA2 -0.284 3.676 3.960 0.000 0.000 0.214 53 G HA3 -0.284 3.676 3.960 0.000 0.000 0.214 53 G C 1.706 176.604 174.900 -0.002 0.000 1.331 53 G CA 2.192 47.295 45.100 0.004 0.000 0.807 53 G HN 0.541 nan 8.290 nan 0.000 0.644 54 V N -0.513 119.406 119.914 0.007 0.000 2.313 54 V HA -0.279 3.841 4.120 0.000 0.000 0.253 54 V C 2.752 178.839 176.094 -0.012 0.000 1.070 54 V CA 2.979 65.281 62.300 0.003 0.000 1.057 54 V CB -1.853 29.980 31.823 0.016 0.000 0.653 54 V HN 0.411 nan 8.190 nan 0.000 0.450 55 T N 0.496 115.032 114.554 -0.030 0.000 2.684 55 T HA -0.170 4.180 4.350 0.000 0.000 0.267 55 T C 1.951 176.626 174.700 -0.042 0.000 1.036 55 T CA 2.025 64.091 62.100 -0.056 0.000 1.148 55 T CB -0.469 68.328 68.868 -0.118 0.000 0.863 55 T HN 0.393 nan 8.240 nan 0.000 0.436 56 V N 1.751 121.643 119.914 -0.037 0.000 2.244 56 V HA -0.148 3.972 4.120 0.000 0.000 0.244 56 V C 2.950 179.032 176.094 -0.020 0.000 1.042 56 V CA 1.687 63.970 62.300 -0.028 0.000 1.006 56 V CB -1.395 30.414 31.823 -0.023 0.000 0.641 56 V HN 0.545 nan 8.190 nan 0.000 0.446 57 A N -0.251 122.560 122.820 -0.015 0.000 1.940 57 A HA -0.345 3.976 4.320 0.000 0.000 0.221 57 A C 2.246 179.823 177.584 -0.012 0.000 1.190 57 A CA 2.520 54.550 52.037 -0.011 0.000 0.647 57 A CB -0.603 18.393 19.000 -0.007 0.000 0.821 57 A HN 0.588 nan 8.150 nan 0.000 0.457 58 K N -0.816 119.576 120.400 -0.013 0.000 2.211 58 K HA -0.091 4.229 4.320 0.000 0.000 0.203 58 K C 1.570 178.161 176.600 -0.014 0.000 1.050 58 K CA 1.120 57.400 56.287 -0.011 0.000 0.945 58 K CB -0.044 32.450 32.500 -0.010 0.000 0.732 58 K HN 0.431 nan 8.250 nan 0.000 0.451 59 E N 0.589 120.778 120.200 -0.017 0.000 2.427 59 E HA -0.024 4.326 4.350 0.000 0.000 0.196 59 E C 0.093 176.682 176.600 -0.019 0.000 1.028 59 E CA 0.279 56.668 56.400 -0.018 0.000 0.864 59 E CB 0.188 29.876 29.700 -0.021 0.000 0.813 59 E HN -0.027 nan 8.360 nan 0.000 0.514 60 V N 2.319 122.222 119.914 -0.019 0.000 2.439 60 V HA 0.053 4.173 4.120 0.000 0.000 0.271 60 V C 0.051 176.132 176.094 -0.023 0.000 1.040 60 V CA 0.106 62.394 62.300 -0.020 0.000 1.002 60 V CB 0.823 32.636 31.823 -0.018 0.000 1.000 60 V HN 0.004 nan 8.190 nan 0.000 0.477 61 E N 4.774 124.957 120.200 -0.028 0.000 2.244 61 E HA 0.507 4.857 4.350 0.000 0.000 0.260 61 E C -1.120 175.453 176.600 -0.044 0.000 0.884 61 E CA -0.384 55.994 56.400 -0.035 0.000 0.777 61 E CB 1.226 30.905 29.700 -0.035 0.000 1.197 61 E HN 0.588 nan 8.360 nan 0.000 0.416 62 L N 3.740 124.932 121.223 -0.051 0.000 2.375 62 L HA 0.376 4.717 4.340 0.000 0.000 0.271 62 L C 1.553 178.367 176.870 -0.093 0.000 1.107 62 L CA -0.282 54.523 54.840 -0.059 0.000 0.806 62 L CB 1.363 43.394 42.059 -0.047 0.000 1.146 62 L HN 0.739 nan 8.230 nan 0.000 0.447 63 E N 1.115 121.263 120.200 -0.087 0.000 2.106 63 E HA -0.177 4.174 4.350 0.000 0.000 0.192 63 E C 0.189 176.691 176.600 -0.163 0.000 0.984 63 E CA 0.570 56.901 56.400 -0.116 0.000 0.806 63 E CB 0.319 29.976 29.700 -0.072 0.000 0.750 63 E HN 0.689 nan 8.360 nan 0.000 0.458 64 D N -0.393 119.944 120.400 -0.105 0.000 2.343 64 D HA -0.029 4.612 4.640 0.000 0.000 0.255 64 D C 0.944 177.191 176.300 -0.089 0.000 1.187 64 D CA 0.083 54.039 54.000 -0.073 0.000 0.875 64 D CB 0.576 41.366 40.800 -0.015 0.000 1.136 64 D HN 0.136 nan 8.370 nan 0.000 0.469 65 H N 3.553 122.619 119.070 -0.007 0.000 2.255 65 H HA -0.192 4.363 4.556 -0.001 0.000 0.290 65 H C 1.830 177.151 175.328 -0.012 0.000 1.087 65 H CA 1.589 57.632 56.048 -0.010 0.000 1.213 65 H CB -0.095 29.661 29.762 -0.011 0.000 1.349 65 H HN 0.494 nan 8.280 nan 0.000 0.487 66 L N 0.530 121.821 121.223 0.114 0.000 2.042 66 L HA -0.185 4.155 4.340 0.000 0.000 0.210 66 L C 2.548 179.432 176.870 0.024 0.000 1.076 66 L CA 1.333 56.204 54.840 0.052 0.000 0.749 66 L CB -0.549 41.531 42.059 0.035 0.000 0.893 66 L HN 0.309 nan 8.230 nan 0.000 0.432 67 E N 0.084 120.292 120.200 0.014 0.000 2.110 67 E HA -0.243 4.107 4.350 0.000 0.000 0.193 67 E C 1.878 178.473 176.600 -0.008 0.000 0.988 67 E CA 1.315 57.715 56.400 -0.000 0.000 0.804 67 E CB -0.086 29.610 29.700 -0.007 0.000 0.745 67 E HN 0.400 nan 8.360 nan 0.000 0.458 68 N N 0.810 119.499 118.700 -0.017 0.000 2.188 68 N HA -0.103 4.637 4.740 0.000 0.000 0.184 68 N C 1.645 177.151 175.510 -0.008 0.000 1.018 68 N CA 0.794 53.828 53.050 -0.026 0.000 0.858 68 N CB -0.008 38.445 38.487 -0.057 0.000 0.989 68 N HN 0.087 nan 8.380 nan 0.000 0.426 69 I N -0.236 120.339 120.570 0.007 0.000 2.208 69 I HA -0.205 3.965 4.170 0.000 0.000 0.245 69 I C 2.256 178.375 176.117 0.002 0.000 1.097 69 I CA 1.374 62.680 61.300 0.009 0.000 1.363 69 I CB -0.716 37.293 38.000 0.014 0.000 1.051 69 I HN 0.296 nan 8.210 nan 0.000 0.413 70 G N 0.339 109.139 108.800 0.000 0.000 2.402 70 G HA2 -0.193 3.767 3.960 0.000 0.000 0.216 70 G HA3 -0.193 3.767 3.960 0.000 0.000 0.216 70 G C 1.877 176.775 174.900 -0.003 0.000 1.162 70 G CA 0.730 45.830 45.100 -0.001 0.000 0.777 70 G HN 0.487 nan 8.290 nan 0.000 0.539 71 A N 0.111 122.927 122.820 -0.006 0.000 1.940 71 A HA -0.097 4.224 4.320 0.000 0.000 0.219 71 A C 2.420 180.000 177.584 -0.007 0.000 1.176 71 A CA 1.955 53.987 52.037 -0.008 0.000 0.631 71 A CB -0.315 18.676 19.000 -0.014 0.000 0.814 71 A HN 0.340 nan 8.150 nan 0.000 0.446 72 Q N -0.137 119.659 119.800 -0.005 0.000 1.990 72 Q HA -0.095 4.245 4.340 0.000 0.000 0.200 72 Q C 2.255 178.254 176.000 -0.002 0.000 0.980 72 Q CA 1.393 57.194 55.803 -0.003 0.000 0.832 72 Q CB -0.739 27.999 28.738 -0.001 0.000 0.897 72 Q HN 0.707 nan 8.270 nan 0.000 0.427 73 L N 0.452 121.674 121.223 -0.001 0.000 2.103 73 L HA -0.253 4.088 4.340 0.000 0.000 0.215 73 L C 2.476 179.346 176.870 -0.000 0.000 1.080 73 L CA 0.941 55.780 54.840 -0.001 0.000 0.764 73 L CB -0.584 41.474 42.059 -0.001 0.000 0.890 73 L HN 0.179 nan 8.230 nan 0.000 0.435 74 L N -0.360 120.863 121.223 -0.001 0.000 2.072 74 L HA -0.162 4.178 4.340 0.000 0.000 0.205 74 L C 2.524 179.394 176.870 -0.000 0.000 1.079 74 L CA 1.663 56.502 54.840 -0.001 0.000 0.752 74 L CB -0.392 41.666 42.059 -0.001 0.000 0.906 74 L HN 0.057 nan 8.230 nan 0.000 0.436 75 K N -0.492 119.907 120.400 -0.001 0.000 2.113 75 K HA -0.276 4.044 4.320 0.000 0.000 0.208 75 K C 2.039 178.640 176.600 0.001 0.000 1.047 75 K CA 1.844 58.130 56.287 -0.001 0.000 0.928 75 K CB -0.163 32.335 32.500 -0.003 0.000 0.716 75 K HN 0.477 nan 8.250 nan 0.000 0.446 76 E N 0.699 120.900 120.200 0.001 0.000 2.058 76 E HA -0.190 4.160 4.350 0.000 0.000 0.194 76 E C 1.922 178.524 176.600 0.004 0.000 0.997 76 E CA 1.257 57.659 56.400 0.003 0.000 0.801 76 E CB 0.105 29.807 29.700 0.002 0.000 0.746 76 E HN 0.015 nan 8.360 nan 0.000 0.450 77 V N 1.281 121.197 119.914 0.003 0.000 2.324 77 V HA -0.344 3.776 4.120 0.000 0.000 0.250 77 V C 2.416 178.513 176.094 0.006 0.000 1.060 77 V CA 1.992 64.294 62.300 0.004 0.000 1.042 77 V CB -0.908 30.917 31.823 0.003 0.000 0.650 77 V HN 0.483 nan 8.190 nan 0.000 0.450 78 A N 0.620 123.443 122.820 0.005 0.000 1.845 78 A HA -0.241 4.079 4.320 0.000 0.000 0.215 78 A C 2.593 180.183 177.584 0.010 0.000 1.195 78 A CA 2.748 54.789 52.037 0.007 0.000 0.616 78 A CB -1.010 17.993 19.000 0.005 0.000 0.832 78 A HN 0.692 nan 8.150 nan 0.000 0.443 79 S N 0.015 115.721 115.700 0.009 0.000 2.348 79 S HA -0.225 4.245 4.470 0.000 0.000 0.221 79 S C 1.920 176.527 174.600 0.013 0.000 1.033 79 S CA 1.842 60.049 58.200 0.012 0.000 1.010 79 S CB -0.453 62.753 63.200 0.010 0.000 0.891 79 S HN 0.425 nan 8.310 nan 0.000 0.442 80 K N 1.436 121.842 120.400 0.010 0.000 2.218 80 K HA -0.036 4.284 4.320 0.000 0.000 0.205 80 K C 1.918 178.525 176.600 0.010 0.000 1.046 80 K CA 1.982 58.275 56.287 0.010 0.000 0.933 80 K CB -1.150 31.354 32.500 0.008 0.000 0.728 80 K HN 0.519 nan 8.250 nan 0.000 0.454 81 T N -0.150 114.410 114.554 0.010 0.000 2.978 81 T HA -0.035 4.315 4.350 0.000 0.000 0.262 81 T C 1.449 176.157 174.700 0.013 0.000 1.063 81 T CA 1.195 63.302 62.100 0.010 0.000 1.140 81 T CB -0.307 68.567 68.868 0.009 0.000 0.886 81 T HN 0.376 nan 8.240 nan 0.000 0.470 82 N N 1.299 120.010 118.700 0.017 0.000 2.270 82 N HA -0.090 4.650 4.740 0.000 0.000 0.181 82 N C 1.348 176.871 175.510 0.021 0.000 1.016 82 N CA 1.078 54.142 53.050 0.024 0.000 0.870 82 N CB -0.091 38.415 38.487 0.032 0.000 0.979 82 N HN 0.170 nan 8.380 nan 0.000 0.431 83 D N -0.605 119.806 120.400 0.018 0.000 2.103 83 D HA -0.054 4.586 4.640 0.000 0.000 0.199 83 D C 1.799 178.108 176.300 0.014 0.000 0.978 83 D CA 0.825 54.836 54.000 0.017 0.000 0.829 83 D CB -0.299 40.510 40.800 0.015 0.000 0.981 83 D HN 0.085 nan 8.370 nan 0.000 0.464 84 V N 0.165 120.086 119.914 0.011 0.000 3.041 84 V HA 0.048 4.168 4.120 0.000 0.000 0.260 84 V C 1.739 177.838 176.094 0.007 0.000 1.105 84 V CA 1.547 63.853 62.300 0.009 0.000 1.125 84 V CB 0.040 31.867 31.823 0.008 0.000 0.730 84 V HN 0.257 nan 8.190 nan 0.000 0.479 85 A N -2.033 120.792 122.820 0.008 0.000 2.533 85 A HA 0.509 4.829 4.320 0.000 0.000 0.180 85 A C 1.758 179.344 177.584 0.003 0.000 1.566 85 A CA 0.967 53.006 52.037 0.004 0.000 1.153 85 A CB 0.427 19.428 19.000 0.003 0.000 1.462 85 A HN 1.030 nan 8.150 nan 0.000 0.523 86 G N -0.456 108.349 108.800 0.009 0.000 2.220 86 G HA2 -0.255 3.705 3.960 0.000 0.000 0.269 86 G HA3 -0.255 3.705 3.960 0.000 0.000 0.269 86 G C -0.035 174.869 174.900 0.006 0.000 0.977 86 G CA 1.075 46.180 45.100 0.008 0.000 0.634 86 G HN 0.976 nan 8.290 nan 0.000 0.539 87 D N -2.413 117.990 120.400 0.006 0.000 2.599 87 D HA 0.584 5.225 4.640 0.000 0.000 0.252 87 D C 0.750 177.054 176.300 0.006 0.000 1.232 87 D CA 1.027 55.030 54.000 0.005 0.000 0.819 87 D CB 0.704 41.498 40.800 -0.009 0.000 1.401 87 D HN 1.361 nan 8.370 nan 0.000 0.429 88 G N 0.633 109.437 108.800 0.007 0.000 2.149 88 G HA2 -0.286 3.674 3.960 0.000 0.000 0.235 88 G HA3 -0.286 3.674 3.960 0.000 0.000 0.235 88 G C 0.896 175.801 174.900 0.008 0.000 1.018 88 G CA 1.114 46.217 45.100 0.004 0.000 0.728 88 G HN 0.740 nan 8.290 nan 0.000 0.508 89 T N -2.577 111.986 114.554 0.015 0.000 2.737 89 T HA -0.089 4.261 4.350 0.000 0.000 0.265 89 T C 2.273 176.979 174.700 0.010 0.000 1.038 89 T CA 2.334 64.443 62.100 0.014 0.000 1.144 89 T CB -0.607 68.274 68.868 0.021 0.000 0.866 89 T HN 0.300 nan 8.240 nan 0.000 0.434 90 T N 2.213 116.773 114.554 0.010 0.000 2.652 90 T HA -0.141 4.209 4.350 0.000 0.000 0.267 90 T C 2.260 176.963 174.700 0.004 0.000 1.039 90 T CA 1.993 64.097 62.100 0.006 0.000 1.153 90 T CB -1.140 67.731 68.868 0.005 0.000 0.863 90 T HN 0.488 nan 8.240 nan 0.000 0.428 91 T N 1.804 116.360 114.554 0.003 0.000 2.737 91 T HA -0.096 4.254 4.350 0.000 0.000 0.269 91 T C 2.295 176.997 174.700 0.003 0.000 1.040 91 T CA 1.244 63.345 62.100 0.001 0.000 1.142 91 T CB -0.492 68.376 68.868 -0.001 0.000 0.861 91 T HN 0.465 nan 8.240 nan 0.000 0.456 92 A N 1.060 123.883 122.820 0.004 0.000 1.929 92 A HA -0.053 4.268 4.320 0.000 0.000 0.216 92 A C 2.535 180.121 177.584 0.004 0.000 1.176 92 A CA 1.802 53.841 52.037 0.004 0.000 0.628 92 A CB -1.030 17.973 19.000 0.005 0.000 0.816 92 A HN 0.482 nan 8.150 nan 0.000 0.444 93 T N 0.024 114.580 114.554 0.004 0.000 2.595 93 T HA -0.159 4.191 4.350 0.000 0.000 0.264 93 T C 1.893 176.595 174.700 0.003 0.000 1.058 93 T CA 1.755 63.857 62.100 0.003 0.000 1.166 93 T CB -0.759 68.110 68.868 0.002 0.000 0.863 93 T HN 0.122 nan 8.240 nan 0.000 0.415 94 V N 1.800 121.716 119.914 0.003 0.000 2.250 94 V HA -0.218 3.902 4.120 0.000 0.000 0.250 94 V C 2.571 178.667 176.094 0.004 0.000 1.060 94 V CA 1.811 64.114 62.300 0.004 0.000 1.030 94 V CB -0.851 30.975 31.823 0.004 0.000 0.643 94 V HN 0.422 nan 8.190 nan 0.000 0.445 95 L N -0.342 120.884 121.223 0.004 0.000 2.191 95 L HA -0.168 4.173 4.340 0.000 0.000 0.212 95 L C 2.573 179.445 176.870 0.004 0.000 1.103 95 L CA 1.346 56.188 54.840 0.004 0.000 0.769 95 L CB -0.700 41.361 42.059 0.004 0.000 0.908 95 L HN 0.382 nan 8.230 nan 0.000 0.438 96 A N -0.564 122.258 122.820 0.004 0.000 1.854 96 A HA -0.241 4.079 4.320 0.000 0.000 0.214 96 A C 2.249 179.835 177.584 0.003 0.000 1.192 96 A CA 1.467 53.506 52.037 0.004 0.000 0.611 96 A CB -0.558 18.444 19.000 0.003 0.000 0.832 96 A HN 0.422 nan 8.150 nan 0.000 0.442 97 Q N -0.360 119.442 119.800 0.003 0.000 2.062 97 Q HA -0.237 4.103 4.340 0.000 0.000 0.209 97 Q C 2.208 178.211 176.000 0.004 0.000 0.996 97 Q CA 2.267 58.072 55.803 0.003 0.000 0.859 97 Q CB -0.422 28.317 28.738 0.003 0.000 0.920 97 Q HN 0.591 nan 8.270 nan 0.000 0.415 98 A N 0.711 123.533 122.820 0.005 0.000 1.892 98 A HA -0.222 4.098 4.320 0.000 0.000 0.218 98 A C 2.024 179.611 177.584 0.005 0.000 1.188 98 A CA 1.792 53.832 52.037 0.005 0.000 0.631 98 A CB -0.845 18.158 19.000 0.006 0.000 0.822 98 A HN 0.549 nan 8.150 nan 0.000 0.447 99 I N -0.536 120.037 120.570 0.005 0.000 2.315 99 I HA -0.195 3.975 4.170 0.000 0.000 0.248 99 I C 2.318 178.439 176.117 0.005 0.000 1.117 99 I CA 1.042 62.345 61.300 0.005 0.000 1.404 99 I CB -0.329 37.674 38.000 0.005 0.000 1.071 99 I HN 0.168 nan 8.210 nan 0.000 0.419 100 V N 1.944 121.861 119.914 0.005 0.000 2.295 100 V HA -0.271 3.849 4.120 0.000 0.000 0.246 100 V C 2.655 178.752 176.094 0.005 0.000 1.049 100 V CA 2.315 64.618 62.300 0.005 0.000 1.024 100 V CB -0.925 30.901 31.823 0.004 0.000 0.648 100 V HN 0.525 nan 8.190 nan 0.000 0.447 101 R N 1.057 121.560 120.500 0.005 0.000 2.064 101 R HA -0.204 4.136 4.340 0.000 0.000 0.228 101 R C 2.160 178.464 176.300 0.006 0.000 1.144 101 R CA 1.991 58.094 56.100 0.006 0.000 0.932 101 R CB -0.862 29.441 30.300 0.005 0.000 0.833 101 R HN 0.394 nan 8.270 nan 0.000 0.429 102 E N 0.887 121.090 120.200 0.006 0.000 2.233 102 E HA -0.135 4.215 4.350 0.000 0.000 0.199 102 E C 1.820 178.424 176.600 0.007 0.000 1.004 102 E CA 1.926 58.329 56.400 0.006 0.000 0.819 102 E CB -0.568 29.136 29.700 0.006 0.000 0.738 102 E HN 0.596 nan 8.360 nan 0.000 0.478 103 G N -0.126 108.678 108.800 0.007 0.000 2.417 103 G HA2 -0.134 3.826 3.960 0.000 0.000 0.212 103 G HA3 -0.134 3.826 3.960 0.000 0.000 0.212 103 G C 1.576 176.481 174.900 0.008 0.000 1.187 103 G CA 0.451 45.555 45.100 0.007 0.000 0.804 103 G HN 0.291 nan 8.290 nan 0.000 0.534 104 L N 0.467 121.695 121.223 0.008 0.000 2.079 104 L HA -0.111 4.229 4.340 0.000 0.000 0.210 104 L C 2.829 179.705 176.870 0.009 0.000 1.081 104 L CA 1.490 56.335 54.840 0.009 0.000 0.752 104 L CB -0.272 41.792 42.059 0.009 0.000 0.896 104 L HN 0.246 nan 8.230 nan 0.000 0.433 105 K N 0.376 120.781 120.400 0.008 0.000 2.009 105 K HA -0.209 4.111 4.320 0.000 0.000 0.210 105 K C 1.836 178.441 176.600 0.008 0.000 1.049 105 K CA 1.732 58.024 56.287 0.008 0.000 0.929 105 K CB -0.080 32.424 32.500 0.007 0.000 0.714 105 K HN 0.337 nan 8.250 nan 0.000 0.440 106 N N 0.625 119.330 118.700 0.008 0.000 2.364 106 N HA -0.127 4.613 4.740 0.000 0.000 0.183 106 N C 1.784 177.300 175.510 0.009 0.000 1.022 106 N CA 1.040 54.095 53.050 0.008 0.000 0.883 106 N CB -0.053 38.438 38.487 0.008 0.000 0.965 106 N HN 0.076 nan 8.380 nan 0.000 0.438 107 V N 1.365 121.285 119.914 0.010 0.000 2.379 107 V HA -0.094 4.026 4.120 0.000 0.000 0.245 107 V C 2.471 178.573 176.094 0.013 0.000 1.044 107 V CA 1.530 63.837 62.300 0.012 0.000 1.036 107 V CB -0.807 31.024 31.823 0.013 0.000 0.664 107 V HN 0.235 nan 8.190 nan 0.000 0.453 108 A N 0.253 123.080 122.820 0.013 0.000 1.972 108 A HA -0.039 4.281 4.320 0.000 0.000 0.219 108 A C 2.195 179.786 177.584 0.011 0.000 1.169 108 A CA 1.701 53.745 52.037 0.013 0.000 0.635 108 A CB -0.574 18.433 19.000 0.012 0.000 0.810 108 A HN 0.586 nan 8.150 nan 0.000 0.446 109 A N -1.722 121.104 122.820 0.009 0.000 2.252 109 A HA 0.404 4.724 4.320 0.000 0.000 0.207 109 A C 1.720 179.308 177.584 0.008 0.000 1.194 109 A CA 1.186 53.228 52.037 0.008 0.000 0.809 109 A CB -1.053 17.951 19.000 0.007 0.000 0.814 109 A HN 1.862 nan 8.150 nan 0.000 0.482 110 G N -2.203 106.603 108.800 0.010 0.000 2.175 110 G HA2 0.092 4.053 3.960 0.000 0.000 0.244 110 G HA3 0.092 4.053 3.960 0.000 0.000 0.244 110 G C 0.464 175.370 174.900 0.010 0.000 0.982 110 G CA 0.185 45.291 45.100 0.010 0.000 0.641 110 G HN 1.609 nan 8.290 nan 0.000 0.527 111 A N -0.008 122.818 122.820 0.009 0.000 2.445 111 A HA 0.532 4.852 4.320 0.000 0.000 0.242 111 A C 0.578 178.168 177.584 0.010 0.000 1.075 111 A CA 0.642 52.685 52.037 0.009 0.000 0.777 111 A CB 0.222 19.227 19.000 0.008 0.000 1.013 111 A HN 1.099 nan 8.150 nan 0.000 0.493 112 N N 2.855 121.561 118.700 0.010 0.000 2.405 112 N HA 0.167 4.908 4.740 0.000 0.000 0.260 112 N C -1.151 174.364 175.510 0.010 0.000 1.152 112 N CA -1.841 51.216 53.050 0.010 0.000 0.948 112 N CB 0.866 39.359 38.487 0.009 0.000 1.111 112 N HN 0.309 nan 8.380 nan 0.000 0.485 113 P HA -0.190 nan 4.420 nan 0.000 0.216 113 P C 1.405 178.710 177.300 0.008 0.000 1.150 113 P CA 1.177 64.283 63.100 0.010 0.000 0.837 113 P CB 0.340 32.047 31.700 0.011 0.000 0.786 114 L N -0.241 120.987 121.223 0.009 0.000 1.989 114 L HA -0.186 4.155 4.340 0.000 0.000 0.211 114 L C 2.878 179.753 176.870 0.007 0.000 1.071 114 L CA 2.024 56.869 54.840 0.008 0.000 0.749 114 L CB -1.522 40.542 42.059 0.008 0.000 0.890 114 L HN -0.025 nan 8.230 nan 0.000 0.431 115 A N 0.056 122.880 122.820 0.007 0.000 1.933 115 A HA -0.164 4.156 4.320 0.000 0.000 0.218 115 A C 2.271 179.858 177.584 0.007 0.000 1.175 115 A CA 1.378 53.419 52.037 0.007 0.000 0.628 115 A CB -0.709 18.296 19.000 0.007 0.000 0.814 115 A HN 0.376 nan 8.150 nan 0.000 0.444 116 L N -0.882 120.345 121.223 0.007 0.000 2.079 116 L HA -0.224 4.117 4.340 0.000 0.000 0.210 116 L C 2.630 179.504 176.870 0.006 0.000 1.081 116 L CA 1.903 56.748 54.840 0.007 0.000 0.752 116 L CB -0.421 41.643 42.059 0.007 0.000 0.896 116 L HN 0.462 nan 8.230 nan 0.000 0.433 117 K N 0.228 120.632 120.400 0.006 0.000 1.985 117 K HA -0.174 4.146 4.320 0.000 0.000 0.210 117 K C 2.299 178.903 176.600 0.006 0.000 1.047 117 K CA 1.272 57.563 56.287 0.006 0.000 0.932 117 K CB -0.008 32.495 32.500 0.005 0.000 0.716 117 K HN 0.146 nan 8.250 nan 0.000 0.439 118 R N -0.467 120.036 120.500 0.006 0.000 2.113 118 R HA -0.172 4.168 4.340 0.000 0.000 0.244 118 R C 2.431 178.734 176.300 0.006 0.000 1.142 118 R CA 1.659 57.763 56.100 0.005 0.000 0.953 118 R CB -0.736 29.567 30.300 0.005 0.000 0.860 118 R HN 0.413 nan 8.270 nan 0.000 0.438 119 G N 1.049 109.853 108.800 0.006 0.000 2.418 119 G HA2 -0.214 3.747 3.960 0.000 0.000 0.217 119 G HA3 -0.214 3.747 3.960 0.000 0.000 0.217 119 G C 1.482 176.386 174.900 0.006 0.000 1.158 119 G CA 0.595 45.698 45.100 0.006 0.000 0.771 119 G HN 0.184 nan 8.290 nan 0.000 0.545 120 I N 0.431 121.005 120.570 0.006 0.000 2.226 120 I HA -0.149 4.021 4.170 0.000 0.000 0.245 120 I C 2.757 178.877 176.117 0.006 0.000 1.100 120 I CA 1.231 62.535 61.300 0.006 0.000 1.374 120 I CB -0.313 37.691 38.000 0.006 0.000 1.057 120 I HN 0.265 nan 8.210 nan 0.000 0.413 121 E N 1.191 121.394 120.200 0.005 0.000 2.012 121 E HA -0.251 4.099 4.350 0.000 0.000 0.197 121 E C 2.193 178.796 176.600 0.005 0.000 1.007 121 E CA 1.456 57.859 56.400 0.005 0.000 0.816 121 E CB -0.080 29.623 29.700 0.005 0.000 0.762 121 E HN 0.407 nan 8.360 nan 0.000 0.451 122 K N 0.500 120.904 120.400 0.006 0.000 2.044 122 K HA -0.213 4.108 4.320 0.000 0.000 0.210 122 K C 2.258 178.862 176.600 0.006 0.000 1.049 122 K CA 1.320 57.610 56.287 0.006 0.000 0.927 122 K CB -0.302 32.202 32.500 0.006 0.000 0.713 122 K HN 0.094 nan 8.250 nan 0.000 0.443 123 A N 1.211 124.035 122.820 0.006 0.000 1.908 123 A HA -0.144 4.176 4.320 0.000 0.000 0.218 123 A C 2.454 180.042 177.584 0.007 0.000 1.181 123 A CA 1.703 53.744 52.037 0.007 0.000 0.627 123 A CB -0.741 18.263 19.000 0.007 0.000 0.818 123 A HN 0.098 nan 8.150 nan 0.000 0.445 124 V N 0.020 119.937 119.914 0.006 0.000 2.343 124 V HA -0.276 3.845 4.120 0.000 0.000 0.247 124 V C 2.370 178.468 176.094 0.006 0.000 1.051 124 V CA 2.215 64.519 62.300 0.006 0.000 1.036 124 V CB -0.979 30.848 31.823 0.006 0.000 0.654 124 V HN 0.626 nan 8.190 nan 0.000 0.451 125 E N 0.591 120.795 120.200 0.006 0.000 2.033 125 E HA -0.287 4.064 4.350 0.000 0.000 0.199 125 E C 2.379 178.982 176.600 0.006 0.000 1.011 125 E CA 1.570 57.974 56.400 0.006 0.000 0.815 125 E CB -0.445 29.259 29.700 0.006 0.000 0.755 125 E HN 0.577 nan 8.360 nan 0.000 0.451 126 A N 1.402 124.226 122.820 0.007 0.000 1.917 126 A HA -0.231 4.089 4.320 0.000 0.000 0.219 126 A C 2.378 179.967 177.584 0.008 0.000 1.182 126 A CA 2.110 54.151 52.037 0.007 0.000 0.633 126 A CB -0.751 18.254 19.000 0.008 0.000 0.819 126 A HN 0.333 nan 8.150 nan 0.000 0.448 127 A N -0.707 122.118 122.820 0.008 0.000 1.873 127 A HA 0.034 4.354 4.320 0.000 0.000 0.215 127 A C 2.242 179.831 177.584 0.008 0.000 1.186 127 A CA 1.745 53.787 52.037 0.008 0.000 0.616 127 A CB -0.954 18.050 19.000 0.008 0.000 0.823 127 A HN 0.426 nan 8.150 nan 0.000 0.442 128 V N 0.056 119.974 119.914 0.007 0.000 2.295 128 V HA -0.301 3.819 4.120 0.000 0.000 0.246 128 V C 2.495 178.592 176.094 0.006 0.000 1.049 128 V CA 2.348 64.652 62.300 0.006 0.000 1.024 128 V CB -0.873 30.953 31.823 0.005 0.000 0.648 128 V HN 0.745 nan 8.190 nan 0.000 0.447 129 E N 0.301 120.505 120.200 0.007 0.000 2.086 129 E HA -0.352 3.998 4.350 0.000 0.000 0.200 129 E C 2.188 178.793 176.600 0.008 0.000 1.012 129 E CA 1.993 58.397 56.400 0.007 0.000 0.812 129 E CB -0.085 29.619 29.700 0.007 0.000 0.743 129 E HN 0.484 nan 8.360 nan 0.000 0.453 130 K N 0.524 120.929 120.400 0.009 0.000 2.211 130 K HA -0.076 4.244 4.320 0.000 0.000 0.203 130 K C 1.809 178.415 176.600 0.010 0.000 1.050 130 K CA 0.926 57.219 56.287 0.010 0.000 0.945 130 K CB -0.123 32.384 32.500 0.012 0.000 0.732 130 K HN 0.210 nan 8.250 nan 0.000 0.451 131 I N 0.442 121.016 120.570 0.008 0.000 2.202 131 I HA -0.285 3.885 4.170 0.000 0.000 0.242 131 I C 2.053 178.174 176.117 0.007 0.000 1.091 131 I CA 1.294 62.598 61.300 0.007 0.000 1.368 131 I CB -0.277 37.726 38.000 0.005 0.000 1.058 131 I HN 0.128 nan 8.210 nan 0.000 0.410 132 K N 1.326 121.729 120.400 0.006 0.000 1.991 132 K HA -0.174 4.146 4.320 0.000 0.000 0.212 132 K C 2.290 178.894 176.600 0.007 0.000 1.049 132 K CA 1.686 57.977 56.287 0.006 0.000 0.932 132 K CB -0.486 32.018 32.500 0.006 0.000 0.717 132 K HN 0.289 nan 8.250 nan 0.000 0.441 133 A N 1.195 124.020 122.820 0.008 0.000 2.054 133 A HA -0.177 4.144 4.320 0.000 0.000 0.223 133 A C 1.872 179.462 177.584 0.010 0.000 1.169 133 A CA 1.563 53.605 52.037 0.009 0.000 0.655 133 A CB -0.601 18.404 19.000 0.009 0.000 0.812 133 A HN 0.255 nan 8.150 nan 0.000 0.462 134 L N -1.327 119.902 121.223 0.010 0.000 2.693 134 L HA 0.309 4.649 4.340 0.000 0.000 0.235 134 L C 1.096 177.971 176.870 0.009 0.000 1.127 134 L CA -0.127 54.720 54.840 0.011 0.000 0.914 134 L CB -0.069 41.998 42.059 0.013 0.000 1.193 134 L HN 0.331 nan 8.230 nan 0.000 0.502 135 A N 1.021 123.845 122.820 0.007 0.000 2.425 135 A HA 0.505 4.825 4.320 0.000 0.000 0.249 135 A C -0.235 177.352 177.584 0.005 0.000 1.084 135 A CA 0.190 52.229 52.037 0.005 0.000 0.781 135 A CB 0.249 19.251 19.000 0.004 0.000 1.019 135 A HN 0.198 nan 8.150 nan 0.000 0.490 136 I N 3.037 123.610 120.570 0.004 0.000 2.466 136 I HA 0.285 4.455 4.170 0.000 0.000 0.289 136 I C -2.381 173.738 176.117 0.003 0.000 1.026 136 I CA -2.205 59.097 61.300 0.004 0.000 1.078 136 I CB 2.583 40.586 38.000 0.004 0.000 1.249 136 I HN 0.437 nan 8.210 nan 0.000 0.429 137 P HA 0.057 nan 4.420 nan 0.000 0.268 137 P C -0.733 176.568 177.300 0.002 0.000 1.205 137 P CA -0.209 62.893 63.100 0.003 0.000 0.771 137 P CB 0.545 32.247 31.700 0.003 0.000 0.858 138 V N 3.516 123.431 119.914 0.002 0.000 2.488 138 V HA 0.109 4.229 4.120 0.000 0.000 0.277 138 V C 1.020 177.116 176.094 0.003 0.000 1.046 138 V CA 0.577 62.879 62.300 0.002 0.000 0.986 138 V CB 0.272 32.096 31.823 0.002 0.000 0.989 138 V HN 0.627 nan 8.190 nan 0.000 0.475 139 E N 2.570 122.772 120.200 0.004 0.000 2.789 139 E HA 0.192 4.542 4.350 0.000 0.000 0.217 139 E C -0.623 175.980 176.600 0.005 0.000 0.970 139 E CA -0.122 56.281 56.400 0.004 0.000 1.201 139 E CB 0.788 30.490 29.700 0.004 0.000 1.069 139 E HN 1.002 nan 8.360 nan 0.000 0.499 140 D N -1.099 119.304 120.400 0.006 0.000 2.710 140 D HA 0.043 4.683 4.640 0.000 0.000 0.276 140 D C 0.446 176.751 176.300 0.009 0.000 1.267 140 D CA -0.711 53.294 54.000 0.007 0.000 0.772 140 D CB 0.918 41.721 40.800 0.005 0.000 1.299 140 D HN -0.235 nan 8.370 nan 0.000 0.421 141 R N 0.554 121.061 120.500 0.011 0.000 2.117 141 R HA -0.171 4.169 4.340 0.000 0.000 0.243 141 R C 1.799 178.106 176.300 0.010 0.000 1.143 141 R CA 1.740 57.848 56.100 0.014 0.000 0.968 141 R CB -0.276 30.034 30.300 0.017 0.000 0.863 141 R HN 0.570 nan 8.270 nan 0.000 0.444 142 K N -0.319 120.085 120.400 0.006 0.000 1.984 142 K HA -0.075 4.245 4.320 0.000 0.000 0.209 142 K C 1.980 178.579 176.600 -0.001 0.000 1.046 142 K CA 1.322 57.610 56.287 0.002 0.000 0.934 142 K CB -0.253 32.248 32.500 0.001 0.000 0.717 142 K HN 0.147 nan 8.250 nan 0.000 0.438 143 A N 1.559 124.379 122.820 -0.000 0.000 2.009 143 A HA -0.214 4.106 4.320 0.000 0.000 0.222 143 A C 2.069 179.651 177.584 -0.003 0.000 1.175 143 A CA 1.761 53.796 52.037 -0.002 0.000 0.651 143 A CB -0.638 18.362 19.000 -0.000 0.000 0.815 143 A HN 0.420 nan 8.150 nan 0.000 0.459 144 I N -1.575 118.996 120.570 0.000 0.000 2.400 144 I HA -0.144 4.026 4.170 0.000 0.000 0.248 144 I C 2.500 178.616 176.117 -0.002 0.000 1.109 144 I CA 1.345 62.645 61.300 0.001 0.000 1.425 144 I CB -0.449 37.555 38.000 0.007 0.000 1.094 144 I HN 0.543 nan 8.210 nan 0.000 0.425 145 E N 1.395 121.595 120.200 0.000 0.000 2.171 145 E HA -0.255 4.095 4.350 0.000 0.000 0.197 145 E C 1.809 178.399 176.600 -0.015 0.000 0.997 145 E CA 1.431 57.829 56.400 -0.003 0.000 0.810 145 E CB 0.159 29.860 29.700 0.001 0.000 0.738 145 E HN 0.504 nan 8.360 nan 0.000 0.467 146 E N -0.047 120.143 120.200 -0.016 0.000 1.999 146 E HA -0.166 4.184 4.350 0.000 0.000 0.194 146 E C 2.252 178.834 176.600 -0.030 0.000 0.995 146 E CA 1.319 57.704 56.400 -0.025 0.000 0.825 146 E CB -0.221 29.465 29.700 -0.022 0.000 0.777 146 E HN 0.087 nan 8.360 nan 0.000 0.459 147 V N 1.839 121.738 119.914 -0.024 0.000 2.257 147 V HA -0.393 3.727 4.120 0.000 0.000 0.257 147 V C 2.372 178.446 176.094 -0.033 0.000 1.077 147 V CA 2.313 64.597 62.300 -0.026 0.000 1.063 147 V CB -0.944 30.869 31.823 -0.018 0.000 0.664 147 V HN 0.429 nan 8.190 nan 0.000 0.450 148 A N -0.855 121.946 122.820 -0.031 0.000 1.858 148 A HA -0.231 4.089 4.320 0.000 0.000 0.216 148 A C 2.371 179.916 177.584 -0.064 0.000 1.190 148 A CA 2.538 54.551 52.037 -0.041 0.000 0.617 148 A CB -1.118 17.868 19.000 -0.024 0.000 0.827 148 A HN 0.528 nan 8.150 nan 0.000 0.443 149 T N 0.426 114.945 114.554 -0.058 0.000 2.699 149 T HA -0.164 4.186 4.350 0.000 0.000 0.268 149 T C 1.782 176.437 174.700 -0.076 0.000 1.036 149 T CA 1.648 63.706 62.100 -0.071 0.000 1.147 149 T CB -0.450 68.384 68.868 -0.056 0.000 0.862 149 T HN 0.408 nan 8.240 nan 0.000 0.446 150 I N 0.533 121.064 120.570 -0.064 0.000 2.094 150 I HA -0.185 3.985 4.170 0.000 0.000 0.234 150 I C 2.788 178.867 176.117 -0.064 0.000 1.063 150 I CA 1.149 62.411 61.300 -0.064 0.000 1.328 150 I CB -0.520 37.446 38.000 -0.056 0.000 1.058 150 I HN 0.202 nan 8.210 nan 0.000 0.400 151 S N 0.254 115.919 115.700 -0.058 0.000 2.413 151 S HA -0.272 4.198 4.470 0.000 0.000 0.237 151 S C 1.873 176.430 174.600 -0.072 0.000 1.044 151 S CA 1.846 60.012 58.200 -0.056 0.000 1.024 151 S CB -0.234 62.935 63.200 -0.051 0.000 0.829 151 S HN 0.524 nan 8.310 nan 0.000 0.475 152 A N 0.196 122.956 122.820 -0.100 0.000 2.195 152 A HA 0.322 4.642 4.320 0.000 0.000 0.210 152 A C 0.886 178.398 177.584 -0.120 0.000 1.165 152 A CA 0.749 52.702 52.037 -0.140 0.000 0.806 152 A CB -0.451 18.411 19.000 -0.230 0.000 0.847 152 A HN 0.654 nan 8.150 nan 0.000 0.482 153 N N 0.113 118.756 118.700 -0.095 0.000 2.738 153 N HA -0.158 4.583 4.740 0.000 0.000 0.249 153 N C -1.143 174.312 175.510 -0.092 0.000 1.047 153 N CA 1.151 54.153 53.050 -0.081 0.000 0.707 153 N CB -0.829 37.621 38.487 -0.063 0.000 0.937 153 N HN 0.556 nan 8.380 nan 0.000 0.545 154 D N -2.255 118.080 120.400 -0.108 0.000 2.795 154 D HA 0.225 4.865 4.640 0.000 0.000 0.206 154 D C -2.327 173.912 176.300 -0.103 0.000 1.278 154 D CA -1.197 52.736 54.000 -0.111 0.000 0.839 154 D CB 1.523 42.228 40.800 -0.157 0.000 1.700 154 D HN -0.110 nan 8.370 nan 0.000 0.549 155 P HA -0.046 nan 4.420 nan 0.000 0.215 155 P C 1.011 178.283 177.300 -0.047 0.000 1.157 155 P CA 1.104 64.172 63.100 -0.053 0.000 0.863 155 P CB 0.537 32.215 31.700 -0.038 0.000 0.787 156 E N -0.395 119.778 120.200 -0.045 0.000 2.049 156 E HA -0.165 4.185 4.350 0.000 0.000 0.198 156 E C 2.029 178.615 176.600 -0.024 0.000 1.007 156 E CA 1.380 57.769 56.400 -0.018 0.000 0.809 156 E CB -0.977 28.719 29.700 -0.006 0.000 0.749 156 E HN 0.003 nan 8.360 nan 0.000 0.450 157 V N 0.943 120.769 119.914 -0.146 0.000 2.332 157 V HA -0.225 3.895 4.120 0.000 0.000 0.248 157 V C 2.367 178.409 176.094 -0.087 0.000 1.055 157 V CA 2.075 64.207 62.300 -0.281 0.000 1.038 157 V CB -0.976 30.417 31.823 -0.717 0.000 0.651 157 V HN 0.464 nan 8.190 nan 0.000 0.450 158 G N -0.888 107.860 108.800 -0.088 0.000 2.470 158 G HA2 -0.263 3.697 3.960 0.000 0.000 0.220 158 G HA3 -0.263 3.697 3.960 0.000 0.000 0.220 158 G C 1.605 176.507 174.900 0.003 0.000 1.121 158 G CA 0.967 46.043 45.100 -0.039 0.000 0.766 158 G HN 0.502 nan 8.290 nan 0.000 0.553 159 K N 0.201 120.609 120.400 0.014 0.000 1.975 159 K HA 0.089 4.410 4.320 0.000 0.000 0.210 159 K C 2.493 179.130 176.600 0.061 0.000 1.041 159 K CA 0.579 56.886 56.287 0.033 0.000 0.942 159 K CB -0.394 32.125 32.500 0.032 0.000 0.729 159 K HN 0.268 nan 8.250 nan 0.000 0.439 160 L N 1.519 122.798 121.223 0.095 0.000 2.051 160 L HA -0.249 4.091 4.340 0.000 0.000 0.214 160 L C 2.552 179.473 176.870 0.085 0.000 1.076 160 L CA 0.967 55.870 54.840 0.105 0.000 0.758 160 L CB -0.652 41.507 42.059 0.166 0.000 0.890 160 L HN 0.329 nan 8.230 nan 0.000 0.433 161 I N 0.226 120.863 120.570 0.112 0.000 2.286 161 I HA -0.243 3.927 4.170 0.000 0.000 0.248 161 I C 2.821 178.965 176.117 0.044 0.000 1.115 161 I CA 1.633 62.979 61.300 0.077 0.000 1.392 161 I CB -1.392 36.654 38.000 0.078 0.000 1.065 161 I HN 0.205 nan 8.210 nan 0.000 0.418 162 A N 0.594 123.440 122.820 0.044 0.000 1.872 162 A HA -0.174 4.146 4.320 0.000 0.000 0.214 162 A C 2.027 179.646 177.584 0.058 0.000 1.187 162 A CA 1.567 53.628 52.037 0.040 0.000 0.614 162 A CB -0.555 18.463 19.000 0.030 0.000 0.826 162 A HN 0.305 nan 8.150 nan 0.000 0.442 163 D N 0.375 120.817 120.400 0.071 0.000 2.103 163 D HA -0.159 4.481 4.640 0.000 0.000 0.190 163 D C 2.295 178.695 176.300 0.167 0.000 0.997 163 D CA 1.915 55.983 54.000 0.113 0.000 0.833 163 D CB -0.633 40.240 40.800 0.121 0.000 0.961 163 D HN 0.393 nan 8.370 nan 0.000 0.447 164 A N 0.849 123.725 122.820 0.094 0.000 1.851 164 A HA -0.224 4.097 4.320 0.000 0.000 0.216 164 A C 2.214 179.849 177.584 0.085 0.000 1.195 164 A CA 2.450 54.498 52.037 0.020 0.000 0.622 164 A CB -0.773 18.119 19.000 -0.180 0.000 0.831 164 A HN 0.217 nan 8.150 nan 0.000 0.444 165 M N 0.163 119.790 119.600 0.045 0.000 2.143 165 M HA -0.224 4.256 4.480 0.000 0.000 0.258 165 M C 1.862 178.202 176.300 0.066 0.000 1.071 165 M CA 2.491 57.817 55.300 0.043 0.000 1.088 165 M CB -0.525 32.093 32.600 0.029 0.000 1.360 165 M HN 0.648 nan 8.290 nan 0.000 0.404 166 E N -0.022 120.226 120.200 0.081 0.000 2.015 166 E HA -0.204 4.147 4.350 0.000 0.000 0.191 166 E C 0.768 177.419 176.600 0.085 0.000 0.991 166 E CA 1.257 57.700 56.400 0.071 0.000 0.802 166 E CB -0.090 29.648 29.700 0.063 0.000 0.759 166 E HN 0.513 nan 8.360 nan 0.000 0.447 167 K N 0.044 120.534 120.400 0.150 0.000 2.790 167 K HA 0.098 4.418 4.320 0.000 0.000 0.229 167 K C -0.064 176.666 176.600 0.217 0.000 1.040 167 K CA -0.141 56.223 56.287 0.129 0.000 1.211 167 K CB 0.849 33.359 32.500 0.016 0.000 1.002 167 K HN 0.017 nan 8.250 nan 0.000 0.479 168 V N -1.036 118.971 119.914 0.155 0.000 3.777 168 V HA 0.130 4.250 4.120 0.000 0.000 0.285 168 V C 0.409 176.541 176.094 0.063 0.000 1.668 168 V CA -0.069 62.306 62.300 0.124 0.000 1.178 168 V CB 0.520 32.417 31.823 0.123 0.000 0.962 168 V HN 0.561 nan 8.190 nan 0.000 0.411 169 G N 2.489 111.321 108.800 0.053 0.000 2.881 169 G HA2 -0.283 3.677 3.960 0.000 0.000 0.681 169 G HA3 -0.283 3.677 3.960 0.000 0.000 0.681 169 G C 0.590 175.504 174.900 0.025 0.000 1.567 169 G CA 0.408 45.527 45.100 0.032 0.000 1.013 169 G HN 0.712 nan 8.290 nan 0.000 0.580 170 K N -0.292 120.119 120.400 0.018 0.000 2.360 170 K HA -0.057 4.263 4.320 0.000 0.000 0.201 170 K C 1.457 178.062 176.600 0.008 0.000 1.046 170 K CA 2.086 58.380 56.287 0.012 0.000 0.940 170 K CB 0.111 32.617 32.500 0.010 0.000 0.748 170 K HN 0.643 nan 8.250 nan 0.000 0.465 171 E N 1.057 121.262 120.200 0.009 0.000 2.474 171 E HA 0.082 4.432 4.350 0.000 0.000 0.195 171 E C 0.889 177.492 176.600 0.005 0.000 1.039 171 E CA -0.212 56.191 56.400 0.006 0.000 0.881 171 E CB 0.651 30.355 29.700 0.007 0.000 0.970 171 E HN 0.487 nan 8.360 nan 0.000 0.486 172 G N 1.119 109.924 108.800 0.009 0.000 2.468 172 G HA2 0.379 4.339 3.960 0.000 0.000 0.264 172 G HA3 0.379 4.339 3.960 0.000 0.000 0.264 172 G C -0.172 174.724 174.900 -0.008 0.000 1.460 172 G CA -0.378 44.726 45.100 0.007 0.000 1.060 172 G HN 0.081 nan 8.290 nan 0.000 0.543 173 I N -0.059 120.500 120.570 -0.018 0.000 2.548 173 I HA 0.331 4.501 4.170 0.000 0.000 0.287 173 I C -0.913 175.169 176.117 -0.060 0.000 1.103 173 I CA -0.405 60.873 61.300 -0.036 0.000 1.049 173 I CB 2.096 40.070 38.000 -0.043 0.000 1.232 173 I HN 0.206 nan 8.210 nan 0.000 0.429 174 I N 5.130 125.662 120.570 -0.064 0.000 2.493 174 I HA 0.514 4.684 4.170 0.000 0.000 0.298 174 I C -0.346 175.716 176.117 -0.091 0.000 0.998 174 I CA -0.456 60.787 61.300 -0.095 0.000 1.137 174 I CB 2.264 40.214 38.000 -0.085 0.000 1.310 174 I HN 0.388 nan 8.210 nan 0.000 0.445 175 T N 4.260 118.741 114.554 -0.122 0.000 2.886 175 T HA 0.437 4.787 4.350 0.000 0.000 0.292 175 T C -0.612 174.001 174.700 -0.145 0.000 1.012 175 T CA -0.452 61.583 62.100 -0.109 0.000 0.982 175 T CB 2.242 71.052 68.868 -0.096 0.000 1.018 175 T HN 0.197 nan 8.240 nan 0.000 0.451 176 V N 3.506 123.346 119.914 -0.124 0.000 2.350 176 V HA 0.482 4.602 4.120 0.000 0.000 0.276 176 V C 0.147 176.166 176.094 -0.125 0.000 1.028 176 V CA -0.549 61.651 62.300 -0.165 0.000 0.860 176 V CB 1.105 32.854 31.823 -0.123 0.000 0.990 176 V HN 0.830 nan 8.190 nan 0.000 0.453 177 E N 2.328 122.438 120.200 -0.150 0.000 2.339 177 E HA 0.437 4.787 4.350 0.000 0.000 0.262 177 E C -0.805 175.736 176.600 -0.099 0.000 0.934 177 E CA -0.884 55.454 56.400 -0.103 0.000 0.802 177 E CB 2.413 32.056 29.700 -0.096 0.000 1.275 177 E HN 0.711 nan 8.360 nan 0.000 0.427 178 E N 1.397 121.559 120.200 -0.063 0.000 1.936 178 E HA 0.117 4.468 4.350 0.000 0.000 0.267 178 E C -0.377 176.195 176.600 -0.046 0.000 1.076 178 E CA -0.195 56.178 56.400 -0.046 0.000 0.870 178 E CB 0.657 30.342 29.700 -0.026 0.000 1.093 178 E HN 0.375 nan 8.360 nan 0.000 0.411 179 S N 3.414 119.081 115.700 -0.055 0.000 2.658 179 S HA 0.015 4.485 4.470 0.000 0.000 0.249 179 S C 0.972 175.555 174.600 -0.028 0.000 1.363 179 S CA 0.119 58.291 58.200 -0.046 0.000 0.964 179 S CB 0.576 63.747 63.200 -0.049 0.000 0.973 179 S HN 0.506 nan 8.310 nan 0.000 0.588 180 K N 0.117 120.503 120.400 -0.022 0.000 2.436 180 K HA 0.191 4.512 4.320 0.000 0.000 0.198 180 K C 0.973 177.568 176.600 -0.009 0.000 1.174 180 K CA 0.380 56.658 56.287 -0.014 0.000 0.951 180 K CB -0.251 32.240 32.500 -0.014 0.000 1.040 180 K HN 0.709 nan 8.250 nan 0.000 0.536 181 S N 0.292 115.987 115.700 -0.009 0.000 2.655 181 S HA 0.263 4.733 4.470 0.000 0.000 0.265 181 S C 1.431 176.031 174.600 0.001 0.000 1.240 181 S CA -0.534 57.663 58.200 -0.004 0.000 0.986 181 S CB 0.607 63.804 63.200 -0.004 0.000 0.985 181 S HN 0.068 nan 8.310 nan 0.000 0.562 182 L N -0.323 120.903 121.223 0.005 0.000 2.376 182 L HA 0.199 4.539 4.340 0.000 0.000 0.219 182 L C 1.359 178.238 176.870 0.016 0.000 1.133 182 L CA 0.803 55.650 54.840 0.011 0.000 0.816 182 L CB -0.417 41.649 42.059 0.011 0.000 0.933 182 L HN 0.758 nan 8.230 nan 0.000 0.449 183 E N -0.325 119.882 120.200 0.012 0.000 2.248 183 E HA 0.221 4.571 4.350 0.000 0.000 0.272 183 E C -0.644 175.962 176.600 0.010 0.000 1.008 183 E CA -0.511 55.899 56.400 0.017 0.000 0.856 183 E CB 1.386 31.094 29.700 0.014 0.000 1.120 183 E HN -0.111 nan 8.360 nan 0.000 0.397 184 T N 3.063 117.631 114.554 0.022 0.000 2.889 184 T HA 0.296 4.646 4.350 0.000 0.000 0.291 184 T C -0.691 173.998 174.700 -0.020 0.000 0.995 184 T CA -0.460 61.638 62.100 -0.003 0.000 1.092 184 T CB 0.882 69.781 68.868 0.053 0.000 0.954 184 T HN 0.409 nan 8.240 nan 0.000 0.506 185 E N 1.134 121.295 120.200 -0.065 0.000 2.293 185 E HA 0.510 4.860 4.350 0.000 0.000 0.270 185 E C -1.414 175.125 176.600 -0.103 0.000 0.879 185 E CA -0.980 55.387 56.400 -0.056 0.000 0.756 185 E CB 2.224 31.899 29.700 -0.041 0.000 1.208 185 E HN 0.234 nan 8.360 nan 0.000 0.428 186 L N 2.218 123.394 121.223 -0.078 0.000 2.307 186 L HA 0.516 4.856 4.340 0.000 0.000 0.284 186 L C -1.328 175.477 176.870 -0.109 0.000 1.023 186 L CA -0.137 54.616 54.840 -0.144 0.000 0.810 186 L CB 0.650 42.642 42.059 -0.110 0.000 1.231 186 L HN 0.451 nan 8.230 nan 0.000 0.423 187 K N 4.690 124.962 120.400 -0.213 0.000 2.523 187 K HA 0.540 4.860 4.320 0.000 0.000 0.257 187 K C -1.590 174.891 176.600 -0.199 0.000 0.932 187 K CA -0.477 55.765 56.287 -0.075 0.000 0.812 187 K CB 2.002 34.482 32.500 -0.034 0.000 1.326 187 K HN 0.293 nan 8.250 nan 0.000 0.433 188 F N 0.406 120.331 119.950 -0.042 0.000 2.497 188 F HA 0.486 5.013 4.527 0.001 0.000 0.331 188 F C 0.164 175.935 175.800 -0.049 0.000 1.060 188 F CA -1.103 56.870 58.000 -0.044 0.000 0.989 188 F CB 1.311 40.289 39.000 -0.036 0.000 1.245 188 F HN 0.003 nan 8.300 nan 0.000 0.486 189 V N 1.774 121.767 119.914 0.132 0.000 2.357 189 V HA 0.188 4.308 4.120 0.000 0.000 0.284 189 V C 0.564 176.679 176.094 0.034 0.000 1.018 189 V CA -0.510 61.813 62.300 0.038 0.000 0.841 189 V CB 1.122 32.929 31.823 -0.027 0.000 0.991 189 V HN 0.826 nan 8.190 nan 0.000 0.437 190 E N 3.147 123.357 120.200 0.017 0.000 1.984 190 E HA -0.068 4.282 4.350 0.000 0.000 0.203 190 E C 1.447 178.046 176.600 -0.001 0.000 0.998 190 E CA 1.447 57.849 56.400 0.003 0.000 0.865 190 E CB -0.096 29.600 29.700 -0.007 0.000 0.806 190 E HN 0.829 nan 8.360 nan 0.000 0.504 191 G N -0.821 107.980 108.800 0.001 0.000 2.928 191 G HA2 0.023 3.983 3.960 0.000 0.000 0.163 191 G HA3 0.023 3.983 3.960 0.000 0.000 0.163 191 G C -0.929 173.996 174.900 0.042 0.000 1.573 191 G CA -0.303 44.814 45.100 0.030 0.000 1.084 191 G HN 0.333 nan 8.290 nan 0.000 0.569 192 Y N 0.979 121.268 120.300 -0.017 0.000 2.304 192 Y HA 0.491 5.041 4.550 0.000 0.000 0.328 192 Y C 0.138 176.001 175.900 -0.061 0.000 1.123 192 Y CA -0.469 57.631 58.100 -0.001 0.000 1.218 192 Y CB 1.145 39.627 38.460 0.037 0.000 1.207 192 Y HN 0.658 nan 8.280 nan 0.000 0.495 193 Q N 4.942 124.672 119.800 -0.116 0.000 2.435 193 Q HA 0.598 4.938 4.340 0.000 0.000 0.282 193 Q C -2.143 173.791 176.000 -0.111 0.000 1.020 193 Q CA -0.832 54.870 55.803 -0.168 0.000 0.820 193 Q CB 1.877 30.504 28.738 -0.185 0.000 1.436 193 Q HN 0.527 nan 8.270 nan 0.000 0.395 194 F N -1.437 118.565 119.950 0.087 0.000 2.643 194 F HA 0.595 5.122 4.527 0.000 0.000 0.314 194 F C -0.721 175.106 175.800 0.045 0.000 1.096 194 F CA -1.300 56.742 58.000 0.071 0.000 0.953 194 F CB 1.299 40.390 39.000 0.151 0.000 1.345 194 F HN 0.478 nan 8.300 nan 0.000 0.468 195 D N 2.275 122.848 120.400 0.290 0.000 2.994 195 D HA 0.140 4.780 4.640 0.000 0.000 0.240 195 D C -0.496 175.935 176.300 0.219 0.000 1.195 195 D CA 0.270 54.370 54.000 0.167 0.000 0.957 195 D CB 0.152 41.010 40.800 0.097 0.000 1.105 195 D HN 0.263 nan 8.370 nan 0.000 0.477 196 K N 0.415 121.009 120.400 0.322 0.000 2.443 196 K HA 0.508 4.828 4.320 0.000 0.000 0.252 196 K C 0.328 177.027 176.600 0.165 0.000 0.933 196 K CA -0.699 55.757 56.287 0.282 0.000 0.792 196 K CB 2.875 35.622 32.500 0.411 0.000 1.185 196 K HN 0.139 nan 8.250 nan 0.000 0.425 197 G N 0.895 109.725 108.800 0.050 0.000 2.642 197 G HA2 0.387 4.348 3.960 0.000 0.000 0.291 197 G HA3 0.387 4.348 3.960 0.000 0.000 0.291 197 G C -0.841 174.076 174.900 0.028 0.000 1.345 197 G CA -0.559 44.484 45.100 -0.095 0.000 1.043 197 G HN 0.470 nan 8.290 nan 0.000 0.528 198 Y N -0.387 120.002 120.300 0.149 0.000 2.605 198 Y HA 0.313 4.864 4.550 0.000 0.000 0.336 198 Y C 1.358 177.360 175.900 0.170 0.000 1.111 198 Y CA -1.649 56.588 58.100 0.229 0.000 1.422 198 Y CB -0.179 38.441 38.460 0.267 0.000 1.193 198 Y HN 0.270 nan 8.280 nan 0.000 0.526 199 I N 1.900 122.720 120.570 0.418 0.000 3.055 199 I HA -0.207 3.963 4.170 0.000 0.000 0.277 199 I C 0.752 176.921 176.117 0.087 0.000 1.306 199 I CA 1.423 62.873 61.300 0.250 0.000 1.426 199 I CB -0.465 37.699 38.000 0.273 0.000 1.081 199 I HN 0.672 nan 8.210 nan 0.000 0.502 200 S N -0.258 115.416 115.700 -0.043 0.000 2.570 200 S HA 0.254 4.724 4.470 0.000 0.000 0.286 200 S C -2.080 172.272 174.600 -0.412 0.000 1.143 200 S CA -0.956 57.077 58.200 -0.277 0.000 0.921 200 S CB 1.653 64.545 63.200 -0.513 0.000 1.108 200 S HN -0.158 nan 8.310 nan 0.000 0.456 201 P HA -0.092 nan 4.420 nan 0.000 0.226 201 P C 0.736 177.683 177.300 -0.588 0.000 1.146 201 P CA 0.989 63.767 63.100 -0.538 0.000 0.773 201 P CB -0.209 31.270 31.700 -0.368 0.000 0.772 202 Y N -1.112 118.926 120.300 -0.436 0.000 2.373 202 Y HA 0.013 4.563 4.550 0.000 0.000 0.293 202 Y C 2.348 178.156 175.900 -0.155 0.000 1.129 202 Y CA 0.686 58.614 58.100 -0.286 0.000 1.226 202 Y CB -1.070 37.237 38.460 -0.254 0.000 1.000 202 Y HN -0.141 nan 8.280 nan 0.000 0.549 203 F N -0.637 119.277 119.950 -0.060 0.000 2.583 203 F HA -0.084 4.444 4.527 0.000 0.000 0.297 203 F C 0.825 176.537 175.800 -0.147 0.000 1.131 203 F CA -0.476 57.478 58.000 -0.076 0.000 1.467 203 F CB -0.355 38.624 39.000 -0.036 0.000 1.097 203 F HN -0.259 nan 8.300 nan 0.000 0.586 204 V N 1.058 120.892 119.914 -0.134 0.000 2.617 204 V HA -0.152 3.969 4.120 0.000 0.000 0.304 204 V C 1.088 177.179 176.094 -0.006 0.000 1.040 204 V CA 0.971 63.190 62.300 -0.136 0.000 1.149 204 V CB 1.039 32.730 31.823 -0.219 0.000 0.914 204 V HN 0.239 nan 8.190 nan 0.000 0.487 205 T N 2.990 117.559 114.554 0.026 0.000 3.021 205 T HA 0.043 4.393 4.350 0.000 0.000 0.245 205 T C 0.856 175.572 174.700 0.026 0.000 1.028 205 T CA 0.358 62.479 62.100 0.034 0.000 1.139 205 T CB -0.023 68.871 68.868 0.043 0.000 0.884 205 T HN 0.594 nan 8.240 nan 0.000 0.457 206 N N 1.696 120.414 118.700 0.030 0.000 2.417 206 N HA 0.231 4.971 4.740 0.000 0.000 0.274 206 N C -2.232 173.290 175.510 0.020 0.000 0.987 206 N CA -2.074 50.992 53.050 0.025 0.000 0.912 206 N CB 2.481 40.986 38.487 0.031 0.000 1.177 206 N HN 0.005 nan 8.380 nan 0.000 0.490 207 P HA 0.053 nan 4.420 nan 0.000 0.236 207 P C 0.188 177.493 177.300 0.010 0.000 1.177 207 P CA 0.897 64.000 63.100 0.005 0.000 0.773 207 P CB 0.692 32.393 31.700 0.002 0.000 0.878 208 E N -0.536 119.673 120.200 0.015 0.000 2.415 208 E HA 0.019 4.369 4.350 0.000 0.000 0.197 208 E C 1.227 177.840 176.600 0.021 0.000 1.007 208 E CA 0.959 57.368 56.400 0.015 0.000 0.890 208 E CB 0.228 29.936 29.700 0.012 0.000 0.891 208 E HN 0.285 nan 8.360 nan 0.000 0.496 209 T N -2.340 112.233 114.554 0.031 0.000 3.111 209 T HA 0.125 4.475 4.350 0.000 0.000 0.284 209 T C 0.785 175.525 174.700 0.067 0.000 0.983 209 T CA -0.407 61.717 62.100 0.040 0.000 0.900 209 T CB 0.266 69.157 68.868 0.037 0.000 1.132 209 T HN -0.108 nan 8.240 nan 0.000 0.531 210 M N 1.264 120.908 119.600 0.073 0.000 2.375 210 M HA -0.163 4.317 4.480 0.000 0.000 0.197 210 M C -0.329 176.114 176.300 0.238 0.000 0.414 210 M CA 0.900 56.278 55.300 0.130 0.000 0.442 210 M CB -2.511 30.176 32.600 0.144 0.000 1.527 210 M HN 0.615 nan 8.290 nan 0.000 0.864 211 E N -0.450 119.850 120.200 0.165 0.000 2.222 211 E HA 0.724 5.074 4.350 0.000 0.000 0.267 211 E C 0.039 176.743 176.600 0.174 0.000 0.963 211 E CA -0.390 56.126 56.400 0.194 0.000 0.837 211 E CB 1.557 31.319 29.700 0.104 0.000 1.183 211 E HN 0.357 nan 8.360 nan 0.000 0.403 212 A N 1.908 124.853 122.820 0.207 0.000 2.399 212 A HA 0.400 4.720 4.320 0.000 0.000 0.327 212 A C -0.751 176.894 177.584 0.102 0.000 1.367 212 A CA -0.574 51.557 52.037 0.156 0.000 0.842 212 A CB 0.262 19.407 19.000 0.241 0.000 1.142 212 A HN 0.284 nan 8.150 nan 0.000 0.495 213 V N 3.860 123.813 119.914 0.066 0.000 2.383 213 V HA 0.347 4.467 4.120 0.000 0.000 0.275 213 V C -0.113 175.998 176.094 0.029 0.000 1.036 213 V CA -0.141 62.183 62.300 0.040 0.000 0.889 213 V CB 1.006 32.847 31.823 0.030 0.000 0.985 213 V HN 0.706 nan 8.190 nan 0.000 0.459 214 L N 4.831 126.065 121.223 0.018 0.000 2.324 214 L HA 0.487 4.827 4.340 0.000 0.000 0.274 214 L C 0.085 176.951 176.870 -0.005 0.000 1.012 214 L CA -0.523 54.322 54.840 0.008 0.000 0.859 214 L CB 1.296 43.359 42.059 0.006 0.000 1.224 214 L HN 0.556 nan 8.230 nan 0.000 0.429 215 E N 2.360 122.556 120.200 -0.006 0.000 2.324 215 E HA -0.007 4.343 4.350 0.000 0.000 0.271 215 E C -0.157 176.421 176.600 -0.037 0.000 1.028 215 E CA -0.088 56.301 56.400 -0.018 0.000 0.890 215 E CB 0.874 30.567 29.700 -0.011 0.000 1.004 215 E HN 0.491 nan 8.360 nan 0.000 0.431 216 D N 1.640 122.004 120.400 -0.061 0.000 3.218 216 D HA -0.210 4.430 4.640 0.000 0.000 0.213 216 D C -1.423 174.789 176.300 -0.147 0.000 1.192 216 D CA 0.977 54.911 54.000 -0.110 0.000 0.940 216 D CB -0.433 40.309 40.800 -0.098 0.000 0.841 216 D HN 0.523 nan 8.370 nan 0.000 0.391 217 A N 2.161 124.886 122.820 -0.157 0.000 2.387 217 A HA 0.789 5.109 4.320 0.000 0.000 0.303 217 A C -0.600 176.843 177.584 -0.235 0.000 1.145 217 A CA -0.788 51.170 52.037 -0.132 0.000 0.801 217 A CB 0.894 19.886 19.000 -0.014 0.000 1.342 217 A HN 0.215 nan 8.150 nan 0.000 0.440 218 F N -0.190 119.748 119.950 -0.019 0.000 2.399 218 F HA 0.575 5.102 4.527 0.000 0.000 0.334 218 F C -0.071 175.715 175.800 -0.024 0.000 1.097 218 F CA -0.153 57.835 58.000 -0.021 0.000 1.076 218 F CB 1.487 40.474 39.000 -0.021 0.000 1.162 218 F HN 0.185 nan 8.300 nan 0.000 0.495 219 I N 3.846 124.502 120.570 0.143 0.000 2.362 219 I HA 0.239 4.410 4.170 0.000 0.000 0.289 219 I C -0.847 175.306 176.117 0.059 0.000 0.994 219 I CA -0.432 60.911 61.300 0.073 0.000 1.158 219 I CB 1.446 39.464 38.000 0.029 0.000 1.315 219 I HN 0.323 nan 8.210 nan 0.000 0.451 220 L N 8.571 129.815 121.223 0.035 0.000 2.288 220 L HA 0.492 4.833 4.340 0.000 0.000 0.283 220 L C -0.342 176.518 176.870 -0.016 0.000 1.072 220 L CA 0.182 55.026 54.840 0.006 0.000 0.862 220 L CB -0.045 42.012 42.059 -0.003 0.000 1.245 220 L HN 0.423 nan 8.230 nan 0.000 0.432 221 I N 6.276 126.823 120.570 -0.038 0.000 2.243 221 I HA 0.166 4.337 4.170 0.000 0.000 0.297 221 I C -0.453 175.615 176.117 -0.082 0.000 1.161 221 I CA -0.366 60.895 61.300 -0.065 0.000 1.298 221 I CB 0.235 38.183 38.000 -0.087 0.000 1.475 221 I HN 0.227 nan 8.210 nan 0.000 0.561 222 V N 5.802 125.677 119.914 -0.065 0.000 2.383 222 V HA 0.119 4.240 4.120 0.000 0.000 0.275 222 V C 1.152 177.204 176.094 -0.070 0.000 1.036 222 V CA -0.367 61.895 62.300 -0.062 0.000 0.889 222 V CB 1.591 33.392 31.823 -0.037 0.000 0.985 222 V HN 0.722 nan 8.190 nan 0.000 0.459 223 E N 4.984 125.140 120.200 -0.073 0.000 2.001 223 E HA -0.126 4.224 4.350 0.000 0.000 0.193 223 E C 1.124 177.687 176.600 -0.061 0.000 0.994 223 E CA 0.928 57.285 56.400 -0.072 0.000 0.815 223 E CB 0.104 29.766 29.700 -0.064 0.000 0.770 223 E HN 0.794 nan 8.360 nan 0.000 0.453 224 K N 1.019 121.394 120.400 -0.041 0.000 2.170 224 K HA 0.012 4.333 4.320 0.000 0.000 0.241 224 K C 0.429 177.008 176.600 -0.035 0.000 1.071 224 K CA -0.087 56.180 56.287 -0.034 0.000 0.822 224 K CB 0.270 32.761 32.500 -0.016 0.000 1.097 224 K HN -0.102 nan 8.250 nan 0.000 0.522 225 K N -0.560 119.823 120.400 -0.029 0.000 2.525 225 K HA 0.315 4.635 4.320 0.000 0.000 0.262 225 K C -0.700 175.894 176.600 -0.010 0.000 1.049 225 K CA -0.646 55.627 56.287 -0.023 0.000 0.961 225 K CB 0.676 33.164 32.500 -0.019 0.000 1.258 225 K HN 0.303 nan 8.250 nan 0.000 0.501 226 V N 1.329 121.243 119.914 0.000 0.000 2.663 226 V HA 0.029 4.150 4.120 0.000 0.000 0.286 226 V C -0.252 175.852 176.094 0.016 0.000 1.085 226 V CA -0.403 61.902 62.300 0.008 0.000 0.916 226 V CB 1.384 33.214 31.823 0.011 0.000 1.039 226 V HN 0.968 nan 8.190 nan 0.000 0.453 227 S N 2.267 117.974 115.700 0.013 0.000 2.648 227 S HA 0.154 4.624 4.470 0.000 0.000 0.270 227 S C 0.405 175.013 174.600 0.012 0.000 1.080 227 S CA 0.004 58.213 58.200 0.015 0.000 1.159 227 S CB 0.153 63.360 63.200 0.012 0.000 1.091 227 S HN 0.654 nan 8.310 nan 0.000 0.605 228 N N 2.388 121.094 118.700 0.009 0.000 2.469 228 N HA 0.339 5.079 4.740 0.000 0.000 0.239 228 N C 1.069 176.583 175.510 0.006 0.000 1.053 228 N CA -0.191 52.863 53.050 0.006 0.000 0.937 228 N CB 0.934 39.423 38.487 0.004 0.000 1.163 228 N HN 0.006 nan 8.380 nan 0.000 0.509 229 V N 4.305 124.222 119.914 0.006 0.000 2.313 229 V HA -0.380 3.740 4.120 0.000 0.000 0.253 229 V C 2.355 178.449 176.094 0.000 0.000 1.070 229 V CA 1.936 64.238 62.300 0.004 0.000 1.057 229 V CB -0.629 31.195 31.823 0.002 0.000 0.653 229 V HN 0.687 nan 8.190 nan 0.000 0.450 230 R N 0.078 120.578 120.500 -0.000 0.000 2.148 230 R HA -0.253 4.088 4.340 0.000 0.000 0.230 230 R C 2.294 178.593 176.300 -0.003 0.000 1.120 230 R CA 2.223 58.321 56.100 -0.002 0.000 0.902 230 R CB -0.702 29.597 30.300 -0.002 0.000 0.839 230 R HN 0.615 nan 8.270 nan 0.000 0.431 231 E N 0.665 120.865 120.200 -0.000 0.000 2.169 231 E HA -0.251 4.099 4.350 0.000 0.000 0.202 231 E C 2.146 178.745 176.600 -0.002 0.000 1.016 231 E CA 1.402 57.803 56.400 0.001 0.000 0.817 231 E CB -0.252 29.451 29.700 0.005 0.000 0.736 231 E HN 0.355 nan 8.360 nan 0.000 0.462 232 L N 0.317 121.538 121.223 -0.003 0.000 2.007 232 L HA -0.190 4.150 4.340 0.000 0.000 0.205 232 L C 2.539 179.400 176.870 -0.015 0.000 1.073 232 L CA 0.760 55.595 54.840 -0.008 0.000 0.744 232 L CB -0.559 41.497 42.059 -0.005 0.000 0.898 232 L HN 0.173 nan 8.230 nan 0.000 0.435 233 L N -0.136 121.079 121.223 -0.013 0.000 2.077 233 L HA -0.296 4.045 4.340 0.000 0.000 0.231 233 L C -0.189 176.667 176.870 -0.023 0.000 1.100 233 L CA 2.129 56.959 54.840 -0.017 0.000 0.819 233 L CB -2.486 39.566 42.059 -0.013 0.000 0.913 233 L HN 0.267 nan 8.230 nan 0.000 0.446 234 P HA -0.244 nan 4.420 nan 0.000 0.216 234 P C 1.809 179.086 177.300 -0.038 0.000 1.167 234 P CA 2.045 65.130 63.100 -0.025 0.000 0.914 234 P CB -0.119 31.570 31.700 -0.017 0.000 0.793 235 I N -0.935 119.612 120.570 -0.039 0.000 2.179 235 I HA -0.222 3.949 4.170 0.000 0.000 0.242 235 I C 2.768 178.838 176.117 -0.078 0.000 1.088 235 I CA 1.248 62.511 61.300 -0.061 0.000 1.357 235 I CB -0.853 37.115 38.000 -0.053 0.000 1.051 235 I HN -0.149 nan 8.210 nan 0.000 0.409 236 L N 0.534 121.722 121.223 -0.058 0.000 2.089 236 L HA -0.263 4.077 4.340 0.000 0.000 0.213 236 L C 2.552 179.386 176.870 -0.060 0.000 1.079 236 L CA 1.613 56.419 54.840 -0.056 0.000 0.758 236 L CB -0.613 41.424 42.059 -0.037 0.000 0.891 236 L HN 0.334 nan 8.230 nan 0.000 0.433 237 E N -0.540 119.627 120.200 -0.054 0.000 2.028 237 E HA -0.213 4.137 4.350 0.000 0.000 0.190 237 E C 2.192 178.749 176.600 -0.071 0.000 0.984 237 E CA 0.895 57.265 56.400 -0.051 0.000 0.800 237 E CB -0.149 29.528 29.700 -0.039 0.000 0.758 237 E HN 0.558 nan 8.360 nan 0.000 0.448 238 Q N 0.628 120.376 119.800 -0.086 0.000 2.096 238 Q HA -0.201 4.139 4.340 0.000 0.000 0.208 238 Q C 2.431 178.328 176.000 -0.171 0.000 0.993 238 Q CA 1.904 57.638 55.803 -0.116 0.000 0.862 238 Q CB -0.318 28.343 28.738 -0.128 0.000 0.915 238 Q HN 0.162 nan 8.270 nan 0.000 0.416 239 V N 0.949 120.741 119.914 -0.205 0.000 2.283 239 V HA -0.235 3.885 4.120 0.000 0.000 0.243 239 V C 2.361 178.376 176.094 -0.133 0.000 1.039 239 V CA 1.633 63.774 62.300 -0.266 0.000 1.016 239 V CB -1.188 30.489 31.823 -0.243 0.000 0.650 239 V HN 0.423 nan 8.190 nan 0.000 0.449 240 A N -0.563 122.207 122.820 -0.083 0.000 1.958 240 A HA -0.349 3.971 4.320 0.000 0.000 0.221 240 A C 2.164 179.729 177.584 -0.033 0.000 1.178 240 A CA 2.321 54.332 52.037 -0.043 0.000 0.642 240 A CB -0.565 18.414 19.000 -0.035 0.000 0.816 240 A HN 0.672 nan 8.150 nan 0.000 0.453 241 Q N -1.306 118.466 119.800 -0.047 0.000 2.297 241 Q HA -0.068 4.272 4.340 0.000 0.000 0.204 241 Q C 1.772 177.760 176.000 -0.021 0.000 0.962 241 Q CA 1.434 57.218 55.803 -0.032 0.000 0.879 241 Q CB -0.170 28.546 28.738 -0.038 0.000 0.947 241 Q HN 0.700 nan 8.270 nan 0.000 0.462 242 T N -0.645 113.887 114.554 -0.037 0.000 3.035 242 T HA -0.016 4.335 4.350 0.000 0.000 0.268 242 T C 1.341 176.081 174.700 0.067 0.000 1.109 242 T CA 0.879 62.986 62.100 0.012 0.000 1.119 242 T CB -0.160 68.694 68.868 -0.024 0.000 0.900 242 T HN 0.603 nan 8.240 nan 0.000 0.503 243 G N 1.592 110.418 108.800 0.043 0.000 2.166 243 G HA2 -0.254 3.706 3.960 0.000 0.000 0.260 243 G HA3 -0.254 3.706 3.960 0.000 0.000 0.260 243 G C 0.040 174.989 174.900 0.081 0.000 0.986 243 G CA 0.150 45.280 45.100 0.050 0.000 0.683 243 G HN 0.394 nan 8.290 nan 0.000 0.527 244 K N 0.438 120.924 120.400 0.144 0.000 2.164 244 K HA 0.546 4.866 4.320 0.000 0.000 0.258 244 K C -2.346 174.369 176.600 0.192 0.000 0.951 244 K CA -2.262 54.148 56.287 0.206 0.000 0.844 244 K CB 1.593 34.357 32.500 0.439 0.000 1.099 244 K HN -0.003 nan 8.250 nan 0.000 0.435 245 P HA 0.153 nan 4.420 nan 0.000 0.271 245 P C -0.845 176.538 177.300 0.139 0.000 1.233 245 P CA -0.456 62.696 63.100 0.087 0.000 0.789 245 P CB 0.463 32.188 31.700 0.041 0.000 0.951 246 L N 1.662 122.924 121.223 0.065 0.000 2.455 246 L HA 0.615 4.955 4.340 0.000 0.000 0.264 246 L C -1.848 175.017 176.870 -0.008 0.000 0.968 246 L CA -0.826 54.055 54.840 0.069 0.000 0.827 246 L CB 1.907 43.988 42.059 0.036 0.000 1.317 246 L HN 0.112 nan 8.230 nan 0.000 0.407 247 L N 5.936 127.168 121.223 0.016 0.000 2.305 247 L HA 0.666 5.006 4.340 0.000 0.000 0.284 247 L C -1.275 175.595 176.870 -0.001 0.000 1.013 247 L CA -0.036 54.798 54.840 -0.009 0.000 0.819 247 L CB 1.242 43.316 42.059 0.025 0.000 1.227 247 L HN 0.572 nan 8.230 nan 0.000 0.417 248 I N 6.623 127.176 120.570 -0.028 0.000 2.330 248 I HA 0.388 4.559 4.170 0.000 0.000 0.289 248 I C -0.542 175.587 176.117 0.020 0.000 1.001 248 I CA -0.271 61.022 61.300 -0.010 0.000 1.193 248 I CB 1.261 39.244 38.000 -0.028 0.000 1.345 248 I HN 0.512 nan 8.210 nan 0.000 0.461 249 I N 6.393 126.973 120.570 0.016 0.000 2.382 249 I HA 0.690 4.860 4.170 0.000 0.000 0.285 249 I C 0.003 176.102 176.117 -0.031 0.000 1.007 249 I CA -0.149 61.156 61.300 0.008 0.000 1.142 249 I CB 1.457 39.459 38.000 0.004 0.000 1.289 249 I HN 0.662 nan 8.210 nan 0.000 0.453 250 A N 4.397 127.199 122.820 -0.030 0.000 2.593 250 A HA 0.404 4.724 4.320 0.000 0.000 0.290 250 A C 0.702 178.250 177.584 -0.060 0.000 1.126 250 A CA -0.565 51.445 52.037 -0.046 0.000 0.695 250 A CB 1.420 20.405 19.000 -0.024 0.000 1.290 250 A HN 0.759 nan 8.150 nan 0.000 0.414 251 E N -0.437 119.717 120.200 -0.076 0.000 2.169 251 E HA -0.215 4.135 4.350 0.000 0.000 0.202 251 E C -0.024 176.531 176.600 -0.074 0.000 1.016 251 E CA 2.123 58.462 56.400 -0.101 0.000 0.817 251 E CB 0.086 29.727 29.700 -0.098 0.000 0.736 251 E HN 0.636 nan 8.360 nan 0.000 0.462 252 D N -2.704 117.675 120.400 -0.034 0.000 2.783 252 D HA 0.118 4.759 4.640 0.000 0.000 0.253 252 D C -1.994 174.320 176.300 0.024 0.000 1.206 252 D CA -0.501 53.499 54.000 -0.000 0.000 0.740 252 D CB 1.552 42.347 40.800 -0.008 0.000 1.313 252 D HN -0.139 nan 8.370 nan 0.000 0.427 253 V N 2.951 122.899 119.914 0.057 0.000 2.385 253 V HA 0.432 4.552 4.120 0.000 0.000 0.277 253 V C 0.049 176.189 176.094 0.078 0.000 1.012 253 V CA -0.506 61.838 62.300 0.074 0.000 0.832 253 V CB 0.994 32.888 31.823 0.118 0.000 1.028 253 V HN 0.531 nan 8.190 nan 0.000 0.436 254 E N 3.076 123.307 120.200 0.052 0.000 2.447 254 E HA 0.843 5.193 4.350 0.000 0.000 0.251 254 E C 0.660 177.282 176.600 0.036 0.000 0.910 254 E CA -0.348 56.079 56.400 0.044 0.000 0.841 254 E CB 1.553 31.271 29.700 0.030 0.000 1.403 254 E HN 0.758 nan 8.360 nan 0.000 0.400 255 G N 1.216 110.033 108.800 0.028 0.000 2.581 255 G HA2 -0.451 3.509 3.960 0.000 0.000 0.291 255 G HA3 -0.451 3.509 3.960 0.000 0.000 0.291 255 G C 0.784 175.696 174.900 0.020 0.000 1.277 255 G CA 0.976 46.088 45.100 0.020 0.000 0.959 255 G HN 0.853 nan 8.290 nan 0.000 0.554 256 E N 0.206 120.415 120.200 0.014 0.000 2.110 256 E HA 0.107 4.457 4.350 0.000 0.000 0.193 256 E C 2.777 179.388 176.600 0.019 0.000 0.988 256 E CA 1.839 58.245 56.400 0.011 0.000 0.804 256 E CB -0.401 29.302 29.700 0.006 0.000 0.745 256 E HN 1.095 nan 8.360 nan 0.000 0.458 257 A N 1.862 124.696 122.820 0.024 0.000 1.892 257 A HA -0.197 4.123 4.320 0.000 0.000 0.218 257 A C 2.262 179.879 177.584 0.055 0.000 1.188 257 A CA 1.665 53.721 52.037 0.031 0.000 0.631 257 A CB -0.741 18.277 19.000 0.030 0.000 0.822 257 A HN 0.315 nan 8.150 nan 0.000 0.447 258 L N -0.327 120.938 121.223 0.069 0.000 1.994 258 L HA -0.028 4.312 4.340 0.000 0.000 0.208 258 L C 2.732 179.657 176.870 0.092 0.000 1.071 258 L CA 2.328 57.237 54.840 0.115 0.000 0.745 258 L CB -0.997 41.123 42.059 0.102 0.000 0.892 258 L HN 0.367 nan 8.230 nan 0.000 0.431 259 A N -1.378 121.465 122.820 0.038 0.000 1.927 259 A HA -0.299 4.021 4.320 0.000 0.000 0.220 259 A C 2.247 179.833 177.584 0.005 0.000 1.185 259 A CA 2.658 54.695 52.037 -0.000 0.000 0.639 259 A CB -1.410 17.584 19.000 -0.010 0.000 0.820 259 A HN 0.578 nan 8.150 nan 0.000 0.451 260 T N 0.414 114.982 114.554 0.023 0.000 2.569 260 T HA -0.143 4.207 4.350 0.000 0.000 0.263 260 T C 1.832 176.556 174.700 0.040 0.000 1.074 260 T CA 1.575 63.686 62.100 0.019 0.000 1.176 260 T CB -0.583 68.296 68.868 0.017 0.000 0.863 260 T HN 0.385 nan 8.240 nan 0.000 0.410 261 L N 0.866 122.133 121.223 0.073 0.000 2.034 261 L HA -0.204 4.136 4.340 0.000 0.000 0.217 261 L C 2.675 179.657 176.870 0.186 0.000 1.077 261 L CA 1.229 56.130 54.840 0.103 0.000 0.769 261 L CB -0.997 41.142 42.059 0.133 0.000 0.890 261 L HN 0.160 nan 8.230 nan 0.000 0.435 262 V N -0.897 119.149 119.914 0.219 0.000 2.295 262 V HA -0.252 3.868 4.120 0.000 0.000 0.246 262 V C 2.381 178.474 176.094 -0.001 0.000 1.049 262 V CA 1.795 64.174 62.300 0.132 0.000 1.024 262 V CB -0.409 31.350 31.823 -0.106 0.000 0.648 262 V HN 0.237 nan 8.190 nan 0.000 0.447 263 V N 0.649 120.542 119.914 -0.035 0.000 2.343 263 V HA -0.235 3.885 4.120 0.000 0.000 0.247 263 V C 2.280 178.365 176.094 -0.015 0.000 1.051 263 V CA 2.122 64.391 62.300 -0.051 0.000 1.036 263 V CB -0.924 30.871 31.823 -0.046 0.000 0.654 263 V HN 0.572 nan 8.190 nan 0.000 0.451 264 N N 0.539 119.243 118.700 0.006 0.000 2.188 264 N HA -0.179 4.561 4.740 0.000 0.000 0.184 264 N C 1.900 177.422 175.510 0.020 0.000 1.018 264 N CA 1.524 54.579 53.050 0.008 0.000 0.858 264 N CB -0.231 38.259 38.487 0.005 0.000 0.989 264 N HN 0.454 nan 8.380 nan 0.000 0.426 265 K N 1.907 122.336 120.400 0.047 0.000 2.002 265 K HA 0.002 4.322 4.320 0.000 0.000 0.209 265 K C 1.970 178.606 176.600 0.060 0.000 1.048 265 K CA 1.064 57.394 56.287 0.070 0.000 0.930 265 K CB -0.625 31.974 32.500 0.164 0.000 0.714 265 K HN 0.101 nan 8.250 nan 0.000 0.438 266 L N 0.073 121.323 121.223 0.044 0.000 2.275 266 L HA -0.040 4.301 4.340 0.000 0.000 0.215 266 L C 2.537 179.415 176.870 0.013 0.000 1.119 266 L CA 0.821 55.676 54.840 0.025 0.000 0.790 266 L CB -0.239 41.805 42.059 -0.024 0.000 0.919 266 L HN 0.147 nan 8.230 nan 0.000 0.443 267 R N -0.101 120.403 120.500 0.006 0.000 2.062 267 R HA 0.012 4.352 4.340 0.000 0.000 0.226 267 R C 1.506 177.811 176.300 0.008 0.000 1.125 267 R CA 1.429 57.531 56.100 0.002 0.000 0.966 267 R CB -0.083 30.215 30.300 -0.003 0.000 0.861 267 R HN 0.305 nan 8.270 nan 0.000 0.433 268 G N -2.579 106.228 108.800 0.012 0.000 2.296 268 G HA2 -0.224 3.737 3.960 0.000 0.000 0.188 268 G HA3 -0.224 3.737 3.960 0.000 0.000 0.188 268 G C 1.018 175.923 174.900 0.009 0.000 1.000 268 G CA 0.332 45.439 45.100 0.013 0.000 0.672 268 G HN 0.303 nan 8.290 nan 0.000 0.483 269 T N 0.036 114.593 114.554 0.006 0.000 2.570 269 T HA 0.030 4.380 4.350 0.000 0.000 0.266 269 T C 0.708 175.409 174.700 0.001 0.000 1.071 269 T CA 1.859 63.960 62.100 0.001 0.000 1.172 269 T CB -0.014 68.853 68.868 -0.002 0.000 0.864 269 T HN 0.730 nan 8.240 nan 0.000 0.421 270 L N 0.720 121.944 121.223 0.002 0.000 2.431 270 L HA 0.510 4.850 4.340 0.000 0.000 0.266 270 L C -0.542 176.328 176.870 -0.001 0.000 0.978 270 L CA -0.738 54.101 54.840 -0.002 0.000 0.822 270 L CB 2.111 44.161 42.059 -0.014 0.000 1.310 270 L HN 0.140 nan 8.230 nan 0.000 0.409 271 S N 5.091 120.793 115.700 0.002 0.000 2.411 271 S HA 0.782 5.253 4.470 0.000 0.000 0.294 271 S C -0.352 174.227 174.600 -0.035 0.000 1.115 271 S CA 0.017 58.216 58.200 -0.002 0.000 1.071 271 S CB 0.283 63.491 63.200 0.013 0.000 0.967 271 S HN 0.961 nan 8.310 nan 0.000 0.488 272 V N -0.202 119.653 119.914 -0.098 0.000 3.165 272 V HA 1.067 5.187 4.120 0.000 0.000 0.309 272 V C -0.393 175.408 176.094 -0.488 0.000 1.267 272 V CA -0.822 61.348 62.300 -0.217 0.000 1.067 272 V CB 1.007 32.694 31.823 -0.226 0.000 1.082 272 V HN 1.497 nan 8.190 nan 0.000 0.451 273 A N -0.114 122.311 122.820 -0.659 0.000 2.582 273 A HA 0.971 5.292 4.320 0.000 0.000 0.297 273 A C -0.640 176.608 177.584 -0.559 0.000 1.059 273 A CA -0.094 51.316 52.037 -1.045 0.000 0.705 273 A CB 1.151 19.982 19.000 -0.281 0.000 1.279 273 A HN 2.526 nan 8.150 nan 0.000 0.404 274 A N 0.976 123.574 122.820 -0.370 0.000 2.330 274 A HA 0.832 5.152 4.320 0.000 0.000 0.327 274 A C -0.816 176.933 177.584 0.275 0.000 1.155 274 A CA -0.570 51.529 52.037 0.103 0.000 0.803 274 A CB 1.236 20.383 19.000 0.244 0.000 1.208 274 A HN 1.675 nan 8.150 nan 0.000 0.477 275 V N 2.928 122.957 119.914 0.192 0.000 2.808 275 V HA 0.273 4.394 4.120 0.000 0.000 0.308 275 V C -0.258 175.918 176.094 0.137 0.000 1.099 275 V CA -0.980 61.451 62.300 0.218 0.000 0.920 275 V CB 2.179 34.173 31.823 0.285 0.000 1.014 275 V HN 0.989 nan 8.190 nan 0.000 0.425 276 K N 2.514 122.981 120.400 0.112 0.000 2.414 276 K HA 0.518 4.839 4.320 0.000 0.000 0.272 276 K C 0.521 177.074 176.600 -0.079 0.000 0.993 276 K CA 0.036 56.336 56.287 0.021 0.000 0.964 276 K CB 0.692 33.209 32.500 0.028 0.000 0.925 276 K HN 0.866 nan 8.250 nan 0.000 0.487 277 A N 4.230 126.959 122.820 -0.152 0.000 2.536 277 A HA 0.038 4.358 4.320 0.000 0.000 0.234 277 A C -1.204 176.176 177.584 -0.340 0.000 1.076 277 A CA -0.785 51.090 52.037 -0.270 0.000 0.769 277 A CB -0.388 18.485 19.000 -0.213 0.000 1.020 277 A HN 0.588 nan 8.150 nan 0.000 0.508 278 P HA -0.047 nan 4.420 nan 0.000 0.202 278 P C 1.268 178.543 177.300 -0.042 0.000 1.027 278 P CA 1.164 64.035 63.100 -0.382 0.000 0.791 278 P CB -0.503 30.968 31.700 -0.382 0.000 0.612 279 G N -0.918 107.899 108.800 0.028 0.000 2.393 279 G HA2 0.236 4.196 3.960 0.000 0.000 0.268 279 G HA3 0.236 4.196 3.960 0.000 0.000 0.268 279 G C -0.406 174.681 174.900 0.312 0.000 1.472 279 G CA 0.023 45.232 45.100 0.183 0.000 1.059 279 G HN 0.217 nan 8.290 nan 0.000 0.555 280 F N -1.984 117.957 119.950 -0.016 0.000 2.764 280 F HA 0.623 5.151 4.527 0.001 0.000 0.347 280 F C 1.202 176.997 175.800 -0.008 0.000 1.151 280 F CA 0.060 58.054 58.000 -0.010 0.000 1.021 280 F CB 0.872 39.876 39.000 0.006 0.000 1.438 280 F HN 1.028 nan 8.300 nan 0.000 0.516 281 G N 0.986 109.891 108.800 0.175 0.000 2.578 281 G HA2 -0.302 3.658 3.960 0.000 0.000 0.313 281 G HA3 -0.302 3.658 3.960 0.000 0.000 0.313 281 G C 0.336 175.260 174.900 0.041 0.000 1.324 281 G CA 0.612 45.768 45.100 0.092 0.000 0.955 281 G HN 0.635 nan 8.290 nan 0.000 0.541 282 D N 0.912 121.334 120.400 0.036 0.000 2.338 282 D HA 0.030 4.670 4.640 0.000 0.000 0.239 282 D C 2.253 178.562 176.300 0.015 0.000 1.095 282 D CA 0.870 54.879 54.000 0.016 0.000 0.888 282 D CB 0.032 40.841 40.800 0.015 0.000 0.899 282 D HN 0.626 nan 8.370 nan 0.000 0.525 283 R N 0.787 121.305 120.500 0.029 0.000 2.195 283 R HA 0.049 4.390 4.340 0.000 0.000 0.197 283 R C 1.972 178.281 176.300 0.014 0.000 0.990 283 R CA 0.042 56.157 56.100 0.025 0.000 1.048 283 R CB -0.092 30.229 30.300 0.036 0.000 0.997 283 R HN 0.021 nan 8.270 nan 0.000 0.502 284 R N 1.012 121.517 120.500 0.008 0.000 2.189 284 R HA 0.069 4.410 4.340 0.000 0.000 0.218 284 R C 1.409 177.671 176.300 -0.064 0.000 1.074 284 R CA 0.949 57.026 56.100 -0.039 0.000 0.991 284 R CB -0.125 30.130 30.300 -0.075 0.000 0.883 284 R HN 0.163 nan 8.270 nan 0.000 0.457 285 K N 0.758 121.130 120.400 -0.046 0.000 2.007 285 K HA -0.044 4.277 4.320 0.000 0.000 0.206 285 K C 1.967 178.541 176.600 -0.045 0.000 1.047 285 K CA 1.166 57.422 56.287 -0.051 0.000 0.937 285 K CB 0.030 32.508 32.500 -0.036 0.000 0.718 285 K HN 0.158 nan 8.250 nan 0.000 0.438 286 E N 0.630 120.816 120.200 -0.025 0.000 2.204 286 E HA -0.114 4.236 4.350 0.000 0.000 0.194 286 E C 1.927 178.518 176.600 -0.015 0.000 0.989 286 E CA 1.057 57.447 56.400 -0.016 0.000 0.824 286 E CB 0.016 29.715 29.700 -0.002 0.000 0.756 286 E HN 0.361 nan 8.360 nan 0.000 0.477 287 M N -0.044 119.548 119.600 -0.014 0.000 2.236 287 M HA -0.057 4.423 4.480 0.000 0.000 0.266 287 M C 2.323 178.576 176.300 -0.078 0.000 1.070 287 M CA 0.770 56.070 55.300 0.000 0.000 1.137 287 M CB -0.129 32.489 32.600 0.030 0.000 1.378 287 M HN 0.064 nan 8.290 nan 0.000 0.426 288 L N 0.111 121.272 121.223 -0.104 0.000 2.042 288 L HA -0.263 4.077 4.340 0.000 0.000 0.210 288 L C 2.464 179.258 176.870 -0.127 0.000 1.076 288 L CA 1.396 56.154 54.840 -0.136 0.000 0.749 288 L CB -0.665 41.319 42.059 -0.125 0.000 0.893 288 L HN 0.292 nan 8.230 nan 0.000 0.432 289 K N -0.160 120.183 120.400 -0.095 0.000 2.097 289 K HA -0.176 4.144 4.320 0.000 0.000 0.206 289 K C 1.641 178.191 176.600 -0.083 0.000 1.049 289 K CA 1.602 57.839 56.287 -0.083 0.000 0.933 289 K CB -0.239 32.228 32.500 -0.055 0.000 0.717 289 K HN 0.282 nan 8.250 nan 0.000 0.442 290 D N 1.177 121.532 120.400 -0.076 0.000 2.087 290 D HA -0.144 4.496 4.640 0.000 0.000 0.192 290 D C 1.861 178.044 176.300 -0.195 0.000 0.993 290 D CA 1.128 55.087 54.000 -0.068 0.000 0.828 290 D CB -0.291 40.525 40.800 0.026 0.000 0.968 290 D HN 0.114 nan 8.370 nan 0.000 0.448 291 I N 0.861 121.225 120.570 -0.343 0.000 2.185 291 I HA -0.337 3.833 4.170 0.000 0.000 0.246 291 I C 2.368 178.362 176.117 -0.205 0.000 1.088 291 I CA 1.174 62.229 61.300 -0.407 0.000 1.347 291 I CB -0.424 37.388 38.000 -0.313 0.000 1.041 291 I HN -0.020 nan 8.210 nan 0.000 0.415 292 A N 1.124 123.857 122.820 -0.146 0.000 1.828 292 A HA -0.176 4.144 4.320 0.000 0.000 0.215 292 A C 2.589 180.127 177.584 -0.077 0.000 1.203 292 A CA 2.041 54.018 52.037 -0.100 0.000 0.614 292 A CB -1.181 17.761 19.000 -0.097 0.000 0.844 292 A HN 0.420 nan 8.150 nan 0.000 0.445 293 A N -0.929 121.852 122.820 -0.065 0.000 2.084 293 A HA -0.020 4.301 4.320 0.000 0.000 0.221 293 A C 2.110 179.675 177.584 -0.032 0.000 1.161 293 A CA 1.998 54.012 52.037 -0.038 0.000 0.653 293 A CB -0.773 18.213 19.000 -0.024 0.000 0.802 293 A HN 0.459 nan 8.150 nan 0.000 0.457 294 V N -0.336 119.546 119.914 -0.053 0.000 2.535 294 V HA -0.125 3.995 4.120 0.000 0.000 0.246 294 V C 2.695 178.770 176.094 -0.033 0.000 1.045 294 V CA 2.134 64.415 62.300 -0.032 0.000 1.058 294 V CB -0.834 30.959 31.823 -0.050 0.000 0.689 294 V HN 0.781 nan 8.190 nan 0.000 0.461 295 T N -2.950 111.573 114.554 -0.052 0.000 3.051 295 T HA 0.333 4.683 4.350 0.000 0.000 0.255 295 T C 1.669 176.349 174.700 -0.033 0.000 1.085 295 T CA 1.022 63.097 62.100 -0.042 0.000 1.109 295 T CB 0.697 69.539 68.868 -0.044 0.000 0.921 295 T HN 0.812 nan 8.240 nan 0.000 0.488 296 G N 0.970 109.751 108.800 -0.031 0.000 2.234 296 G HA2 -0.103 3.857 3.960 0.000 0.000 0.235 296 G HA3 -0.103 3.857 3.960 0.000 0.000 0.235 296 G C 0.646 175.538 174.900 -0.015 0.000 0.997 296 G CA -0.007 45.081 45.100 -0.019 0.000 0.623 296 G HN 0.950 nan 8.290 nan 0.000 0.514 297 G N -0.505 108.285 108.800 -0.017 0.000 2.590 297 G HA2 0.479 4.439 3.960 0.000 0.000 0.276 297 G HA3 0.479 4.439 3.960 0.000 0.000 0.276 297 G C 0.020 174.893 174.900 -0.046 0.000 1.337 297 G CA 1.073 46.166 45.100 -0.012 0.000 1.030 297 G HN 0.808 nan 8.290 nan 0.000 0.534 298 T N -0.674 113.837 114.554 -0.071 0.000 2.863 298 T HA 0.432 4.782 4.350 0.000 0.000 0.285 298 T C -0.152 174.423 174.700 -0.210 0.000 1.009 298 T CA -0.382 61.632 62.100 -0.144 0.000 0.989 298 T CB 1.870 70.644 68.868 -0.157 0.000 1.004 298 T HN 0.343 nan 8.240 nan 0.000 0.455 299 V N 3.854 123.610 119.914 -0.264 0.000 2.455 299 V HA 0.263 4.383 4.120 0.000 0.000 0.273 299 V C 0.679 176.523 176.094 -0.417 0.000 1.045 299 V CA -0.395 61.747 62.300 -0.263 0.000 0.976 299 V CB 0.451 32.151 31.823 -0.205 0.000 0.993 299 V HN 0.813 nan 8.190 nan 0.000 0.475 300 I N 4.190 124.583 120.570 -0.295 0.000 2.280 300 I HA 0.048 4.218 4.170 0.000 0.000 0.287 300 I C 0.675 176.700 176.117 -0.153 0.000 1.121 300 I CA 0.291 61.431 61.300 -0.266 0.000 1.798 300 I CB -0.300 37.642 38.000 -0.097 0.000 1.489 300 I HN 0.594 nan 8.210 nan 0.000 0.805 301 S N 3.366 118.942 115.700 -0.205 0.000 2.457 301 S HA -0.010 4.460 4.470 0.000 0.000 0.294 301 S C 1.488 176.117 174.600 0.048 0.000 1.201 301 S CA -0.443 57.717 58.200 -0.067 0.000 1.112 301 S CB 0.199 63.361 63.200 -0.063 0.000 1.018 301 S HN 0.668 nan 8.310 nan 0.000 0.511 302 E N 2.543 122.762 120.200 0.031 0.000 2.331 302 E HA -0.251 4.099 4.350 0.000 0.000 0.199 302 E C 0.473 177.109 176.600 0.060 0.000 1.008 302 E CA 1.380 57.811 56.400 0.052 0.000 0.843 302 E CB -0.219 29.494 29.700 0.021 0.000 0.761 302 E HN 0.820 nan 8.360 nan 0.000 0.507 303 E N 0.113 120.344 120.200 0.052 0.000 2.499 303 E HA 0.130 4.480 4.350 0.000 0.000 0.199 303 E C 0.997 177.643 176.600 0.077 0.000 1.016 303 E CA -0.166 56.264 56.400 0.050 0.000 0.933 303 E CB 0.516 30.233 29.700 0.027 0.000 1.050 303 E HN 0.130 nan 8.360 nan 0.000 0.462 304 L N 0.211 121.520 121.223 0.142 0.000 2.638 304 L HA 0.411 4.751 4.340 0.000 0.000 0.232 304 L C 0.927 177.937 176.870 0.234 0.000 1.099 304 L CA 1.049 56.014 54.840 0.208 0.000 0.883 304 L CB 0.610 42.832 42.059 0.273 0.000 1.136 304 L HN 0.213 nan 8.230 nan 0.000 0.492 305 G N -0.430 108.493 108.800 0.206 0.000 2.392 305 G HA2 -0.212 3.749 3.960 0.000 0.000 0.215 305 G HA3 -0.212 3.749 3.960 0.000 0.000 0.215 305 G C -0.390 174.473 174.900 -0.061 0.000 1.097 305 G CA -0.162 44.965 45.100 0.045 0.000 0.840 305 G HN 0.096 nan 8.290 nan 0.000 0.492 306 F N -0.088 119.855 119.950 -0.012 0.000 2.546 306 F HA 0.688 5.216 4.527 0.000 0.000 0.320 306 F C 0.532 176.324 175.800 -0.014 0.000 1.076 306 F CA -0.878 57.115 58.000 -0.013 0.000 0.928 306 F CB 2.066 41.058 39.000 -0.013 0.000 1.189 306 F HN -0.060 nan 8.300 nan 0.000 0.465 307 K N 2.396 122.884 120.400 0.148 0.000 2.244 307 K HA 0.306 4.626 4.320 0.000 0.000 0.260 307 K C 0.445 177.096 176.600 0.086 0.000 0.951 307 K CA -0.773 55.563 56.287 0.082 0.000 0.826 307 K CB 2.246 34.763 32.500 0.029 0.000 1.108 307 K HN 0.511 nan 8.250 nan 0.000 0.433 308 L N 4.105 125.363 121.223 0.058 0.000 2.079 308 L HA -0.210 4.130 4.340 0.000 0.000 0.210 308 L C 1.652 178.539 176.870 0.028 0.000 1.081 308 L CA 2.009 56.872 54.840 0.038 0.000 0.752 308 L CB -0.355 41.716 42.059 0.019 0.000 0.896 308 L HN 0.715 nan 8.230 nan 0.000 0.433 309 E N -0.852 119.360 120.200 0.020 0.000 2.077 309 E HA -0.198 4.153 4.350 0.000 0.000 0.193 309 E C 0.902 177.509 176.600 0.011 0.000 0.989 309 E CA 1.265 57.671 56.400 0.009 0.000 0.800 309 E CB -0.564 29.139 29.700 0.004 0.000 0.746 309 E HN 0.556 nan 8.360 nan 0.000 0.452 310 N N 1.140 119.853 118.700 0.021 0.000 2.375 310 N HA 0.153 4.893 4.740 0.000 0.000 0.220 310 N C -0.344 175.193 175.510 0.045 0.000 1.170 310 N CA 0.212 53.274 53.050 0.020 0.000 0.833 310 N CB 0.400 38.889 38.487 0.004 0.000 1.069 310 N HN 0.116 nan 8.380 nan 0.000 0.479 311 A N 0.245 123.092 122.820 0.046 0.000 2.304 311 A HA 0.598 4.918 4.320 0.000 0.000 0.271 311 A C 0.462 178.058 177.584 0.019 0.000 1.091 311 A CA 0.051 52.121 52.037 0.054 0.000 0.812 311 A CB 0.565 19.585 19.000 0.033 0.000 1.056 311 A HN 0.139 nan 8.150 nan 0.000 0.489 312 T N 0.975 115.541 114.554 0.019 0.000 2.906 312 T HA 0.420 4.771 4.350 0.000 0.000 0.295 312 T C 1.084 175.764 174.700 -0.033 0.000 1.075 312 T CA -0.686 61.409 62.100 -0.009 0.000 1.005 312 T CB 1.206 70.080 68.868 0.011 0.000 1.136 312 T HN 0.412 nan 8.240 nan 0.000 0.498 313 L N 1.162 122.340 121.223 -0.075 0.000 2.362 313 L HA -0.080 4.260 4.340 0.000 0.000 0.219 313 L C 2.715 179.586 176.870 0.003 0.000 1.134 313 L CA 1.104 55.871 54.840 -0.121 0.000 0.807 313 L CB -0.669 41.266 42.059 -0.207 0.000 0.927 313 L HN 0.842 nan 8.230 nan 0.000 0.447 314 S N 0.688 116.399 115.700 0.018 0.000 2.402 314 S HA -0.170 4.300 4.470 0.000 0.000 0.229 314 S C 1.579 176.212 174.600 0.056 0.000 1.021 314 S CA 0.748 58.976 58.200 0.047 0.000 0.974 314 S CB -0.288 62.935 63.200 0.039 0.000 0.800 314 S HN 0.608 nan 8.310 nan 0.000 0.484 315 M N 0.673 120.301 119.600 0.048 0.000 2.859 315 M HA 0.513 4.993 4.480 0.000 0.000 0.297 315 M C -0.640 175.677 176.300 0.028 0.000 1.268 315 M CA -0.166 55.157 55.300 0.039 0.000 1.003 315 M CB -0.116 32.515 32.600 0.051 0.000 1.308 315 M HN 0.069 nan 8.290 nan 0.000 0.502 316 L N 1.000 122.267 121.223 0.073 0.000 2.331 316 L HA 0.771 5.111 4.340 0.000 0.000 0.275 316 L C 0.584 177.532 176.870 0.131 0.000 1.022 316 L CA -0.845 54.066 54.840 0.118 0.000 0.812 316 L CB 1.934 44.122 42.059 0.214 0.000 1.257 316 L HN 0.430 nan 8.230 nan 0.000 0.435 317 G N 1.461 110.315 108.800 0.090 0.000 2.467 317 G HA2 0.472 4.432 3.960 0.000 0.000 0.257 317 G HA3 0.472 4.432 3.960 0.000 0.000 0.257 317 G C -0.727 174.183 174.900 0.017 0.000 1.227 317 G CA -0.303 44.817 45.100 0.035 0.000 0.835 317 G HN 0.609 nan 8.290 nan 0.000 0.556 318 R N 0.316 120.781 120.500 -0.059 0.000 2.686 318 R HA 0.664 5.004 4.340 0.000 0.000 0.283 318 R C -0.847 175.377 176.300 -0.128 0.000 0.978 318 R CA -0.472 55.523 56.100 -0.176 0.000 0.897 318 R CB 1.915 32.076 30.300 -0.232 0.000 1.192 318 R HN 0.807 nan 8.270 nan 0.000 0.457 319 A N 1.998 124.731 122.820 -0.145 0.000 2.572 319 A HA 0.234 4.554 4.320 0.000 0.000 0.295 319 A C 0.084 177.612 177.584 -0.094 0.000 1.072 319 A CA -0.662 51.321 52.037 -0.091 0.000 0.691 319 A CB 1.819 20.787 19.000 -0.054 0.000 1.291 319 A HN 0.962 nan 8.150 nan 0.000 0.404 320 E N 0.251 120.412 120.200 -0.065 0.000 2.106 320 E HA -0.060 4.290 4.350 0.000 0.000 0.192 320 E C 0.705 177.277 176.600 -0.046 0.000 0.984 320 E CA 1.108 57.474 56.400 -0.057 0.000 0.806 320 E CB 0.142 29.818 29.700 -0.040 0.000 0.750 320 E HN 0.506 nan 8.360 nan 0.000 0.458 321 R N -1.251 119.228 120.500 -0.036 0.000 2.690 321 R HA 0.413 4.753 4.340 0.000 0.000 0.269 321 R C -2.166 174.123 176.300 -0.019 0.000 1.037 321 R CA -0.625 55.460 56.100 -0.026 0.000 0.877 321 R CB 2.156 32.445 30.300 -0.019 0.000 1.255 321 R HN -0.042 nan 8.270 nan 0.000 0.467 322 V N 3.228 123.135 119.914 -0.011 0.000 2.610 322 V HA 0.469 4.589 4.120 0.000 0.000 0.298 322 V C -0.840 175.256 176.094 0.004 0.000 1.067 322 V CA -0.706 61.589 62.300 -0.008 0.000 0.894 322 V CB 1.956 33.779 31.823 -0.001 0.000 1.015 322 V HN 0.683 nan 8.190 nan 0.000 0.432 323 R N 4.869 125.365 120.500 -0.007 0.000 2.407 323 R HA 0.770 5.110 4.340 0.000 0.000 0.303 323 R C -1.092 175.215 176.300 0.010 0.000 0.981 323 R CA -0.538 55.568 56.100 0.010 0.000 0.905 323 R CB 1.981 32.278 30.300 -0.005 0.000 1.099 323 R HN 0.585 nan 8.270 nan 0.000 0.459 324 I N 2.282 122.897 120.570 0.075 0.000 2.497 324 I HA 0.232 4.403 4.170 0.000 0.000 0.284 324 I C -0.288 175.903 176.117 0.124 0.000 1.060 324 I CA -0.474 60.888 61.300 0.103 0.000 1.071 324 I CB 2.267 40.408 38.000 0.235 0.000 1.216 324 I HN 0.553 nan 8.210 nan 0.000 0.442 325 T N 3.553 118.054 114.554 -0.088 0.000 2.923 325 T HA 0.192 4.542 4.350 0.000 0.000 0.281 325 T C 1.136 175.413 174.700 -0.705 0.000 0.995 325 T CA -0.791 61.193 62.100 -0.194 0.000 0.985 325 T CB 1.886 70.687 68.868 -0.112 0.000 1.114 325 T HN 0.579 nan 8.240 nan 0.000 0.548 326 K N 0.821 120.838 120.400 -0.639 0.000 2.293 326 K HA -0.191 4.129 4.320 0.000 0.000 0.204 326 K C 0.534 176.864 176.600 -0.449 0.000 1.045 326 K CA 2.000 57.867 56.287 -0.700 0.000 0.933 326 K CB -0.016 32.364 32.500 -0.201 0.000 0.736 326 K HN 0.738 nan 8.250 nan 0.000 0.463 327 D N -1.870 118.356 120.400 -0.290 0.000 2.583 327 D HA 0.028 4.668 4.640 0.000 0.000 0.282 327 D C -0.550 175.699 176.300 -0.086 0.000 1.485 327 D CA -0.269 53.646 54.000 -0.142 0.000 0.834 327 D CB 0.078 40.832 40.800 -0.077 0.000 1.258 327 D HN 0.180 nan 8.370 nan 0.000 0.470 328 E N 0.305 120.430 120.200 -0.125 0.000 2.317 328 E HA 0.490 4.840 4.350 0.000 0.000 0.270 328 E C -1.456 175.059 176.600 -0.142 0.000 0.885 328 E CA -0.411 55.928 56.400 -0.102 0.000 0.760 328 E CB 2.306 31.951 29.700 -0.092 0.000 1.227 328 E HN -0.170 nan 8.360 nan 0.000 0.434 329 T N 2.436 116.829 114.554 -0.269 0.000 2.840 329 T HA 0.397 4.747 4.350 0.000 0.000 0.287 329 T C -1.171 173.246 174.700 -0.471 0.000 0.991 329 T CA -0.545 61.324 62.100 -0.385 0.000 0.964 329 T CB 1.511 70.048 68.868 -0.552 0.000 0.954 329 T HN 0.357 nan 8.240 nan 0.000 0.438 330 T N 3.947 118.357 114.554 -0.241 0.000 2.812 330 T HA 0.529 4.879 4.350 0.000 0.000 0.282 330 T C 0.072 174.721 174.700 -0.087 0.000 0.990 330 T CA -0.564 61.439 62.100 -0.162 0.000 0.960 330 T CB 0.738 69.549 68.868 -0.096 0.000 0.948 330 T HN 0.464 nan 8.240 nan 0.000 0.438 331 I N 3.667 124.217 120.570 -0.034 0.000 2.310 331 I HA 0.283 4.453 4.170 0.000 0.000 0.287 331 I C -0.018 176.115 176.117 0.026 0.000 1.073 331 I CA -0.750 60.557 61.300 0.011 0.000 1.216 331 I CB 0.619 38.648 38.000 0.049 0.000 1.415 331 I HN 0.296 nan 8.210 nan 0.000 0.480 332 V N 4.487 124.402 119.914 0.001 0.000 2.785 332 V HA 0.398 4.518 4.120 0.000 0.000 0.300 332 V C 1.259 177.349 176.094 -0.007 0.000 1.062 332 V CA -0.265 62.035 62.300 -0.001 0.000 1.029 332 V CB 1.298 33.114 31.823 -0.011 0.000 1.024 332 V HN 1.005 nan 8.190 nan 0.000 0.477 333 G N 3.126 111.922 108.800 -0.006 0.000 2.393 333 G HA2 -0.147 3.813 3.960 0.000 0.000 0.299 333 G HA3 -0.147 3.813 3.960 0.000 0.000 0.299 333 G C 0.528 175.415 174.900 -0.021 0.000 0.990 333 G CA 0.072 45.163 45.100 -0.015 0.000 1.118 333 G HN 1.451 nan 8.290 nan 0.000 0.513 334 G N -0.415 108.381 108.800 -0.006 0.000 2.380 334 G HA2 0.433 4.393 3.960 0.000 0.000 0.242 334 G HA3 0.433 4.393 3.960 0.000 0.000 0.242 334 G C 0.839 175.726 174.900 -0.022 0.000 1.298 334 G CA -0.395 44.696 45.100 -0.014 0.000 0.878 334 G HN 0.287 nan 8.290 nan 0.000 0.542 335 K N 2.079 122.457 120.400 -0.037 0.000 2.404 335 K HA 0.073 4.393 4.320 0.000 0.000 0.194 335 K C 1.709 178.295 176.600 -0.024 0.000 1.023 335 K CA 0.186 56.451 56.287 -0.036 0.000 1.094 335 K CB 0.073 32.539 32.500 -0.056 0.000 0.841 335 K HN 0.575 nan 8.250 nan 0.000 0.523 336 G N 1.905 110.694 108.800 -0.020 0.000 2.905 336 G HA2 -0.198 3.763 3.960 0.000 0.000 0.233 336 G HA3 -0.198 3.763 3.960 0.000 0.000 0.233 336 G C -0.288 174.607 174.900 -0.008 0.000 1.243 336 G CA -0.174 44.918 45.100 -0.014 0.000 0.856 336 G HN 0.186 nan 8.290 nan 0.000 0.594 337 K N 0.461 120.857 120.400 -0.005 0.000 2.276 337 K HA 0.147 4.467 4.320 0.000 0.000 0.283 337 K C 1.519 178.121 176.600 0.002 0.000 1.044 337 K CA -0.461 55.825 56.287 -0.001 0.000 0.944 337 K CB 0.807 33.307 32.500 0.000 0.000 1.012 337 K HN 0.547 nan 8.250 nan 0.000 0.472 338 K N 2.684 123.086 120.400 0.003 0.000 2.074 338 K HA -0.229 4.092 4.320 0.000 0.000 0.209 338 K C 0.815 177.419 176.600 0.007 0.000 1.048 338 K CA 2.004 58.295 56.287 0.006 0.000 0.926 338 K CB 0.206 32.709 32.500 0.005 0.000 0.713 338 K HN 0.549 nan 8.250 nan 0.000 0.444 339 E N 0.864 121.068 120.200 0.006 0.000 2.106 339 E HA -0.151 4.199 4.350 0.000 0.000 0.192 339 E C 1.524 178.128 176.600 0.007 0.000 0.984 339 E CA 1.588 57.992 56.400 0.006 0.000 0.806 339 E CB -0.158 29.546 29.700 0.006 0.000 0.750 339 E HN 0.388 nan 8.360 nan 0.000 0.458 340 D N 0.014 120.416 120.400 0.005 0.000 2.117 340 D HA -0.117 4.523 4.640 0.000 0.000 0.197 340 D C 1.765 178.068 176.300 0.006 0.000 0.987 340 D CA 0.935 54.937 54.000 0.003 0.000 0.829 340 D CB -0.055 40.743 40.800 -0.003 0.000 0.961 340 D HN 0.144 nan 8.370 nan 0.000 0.460 341 I N 0.786 121.362 120.570 0.011 0.000 2.142 341 I HA -0.232 3.938 4.170 0.000 0.000 0.240 341 I C 2.226 178.356 176.117 0.022 0.000 1.078 341 I CA 1.192 62.505 61.300 0.021 0.000 1.343 341 I CB -0.333 37.683 38.000 0.027 0.000 1.046 341 I HN 0.036 nan 8.210 nan 0.000 0.405 342 E N 1.036 121.246 120.200 0.017 0.000 2.070 342 E HA -0.254 4.096 4.350 0.000 0.000 0.197 342 E C 2.285 178.893 176.600 0.014 0.000 1.004 342 E CA 1.496 57.906 56.400 0.016 0.000 0.805 342 E CB -0.246 29.461 29.700 0.012 0.000 0.744 342 E HN 0.530 nan 8.360 nan 0.000 0.451 343 A N 1.074 123.901 122.820 0.011 0.000 2.015 343 A HA -0.145 4.175 4.320 0.000 0.000 0.219 343 A C 2.078 179.668 177.584 0.011 0.000 1.163 343 A CA 1.238 53.281 52.037 0.010 0.000 0.646 343 A CB -0.238 18.767 19.000 0.008 0.000 0.806 343 A HN -0.028 nan 8.150 nan 0.000 0.448 344 R N -0.042 120.466 120.500 0.013 0.000 2.119 344 R HA 0.166 4.506 4.340 0.000 0.000 0.222 344 R C 1.699 178.012 176.300 0.023 0.000 1.088 344 R CA 1.084 57.194 56.100 0.016 0.000 0.984 344 R CB -0.529 29.783 30.300 0.019 0.000 0.884 344 R HN 0.584 nan 8.270 nan 0.000 0.447 345 I N 0.394 120.979 120.570 0.025 0.000 2.188 345 I HA -0.215 3.955 4.170 0.000 0.000 0.237 345 I C 1.122 177.249 176.117 0.017 0.000 1.073 345 I CA 1.033 62.348 61.300 0.025 0.000 1.359 345 I CB -0.337 37.678 38.000 0.025 0.000 1.083 345 I HN 0.171 nan 8.210 nan 0.000 0.412 346 N N 1.296 120.004 118.700 0.013 0.000 2.651 346 N HA -0.104 4.636 4.740 0.000 0.000 0.193 346 N C 1.543 177.058 175.510 0.009 0.000 1.149 346 N CA 1.086 54.142 53.050 0.010 0.000 0.933 346 N CB -0.200 38.292 38.487 0.009 0.000 0.974 346 N HN 0.462 nan 8.380 nan 0.000 0.448 347 G N 0.292 109.098 108.800 0.010 0.000 2.492 347 G HA2 -0.004 3.956 3.960 0.000 0.000 0.214 347 G HA3 -0.004 3.956 3.960 0.000 0.000 0.214 347 G C 1.605 176.509 174.900 0.007 0.000 1.147 347 G CA -0.087 45.018 45.100 0.008 0.000 0.809 347 G HN 0.227 nan 8.290 nan 0.000 0.533 348 I N 0.154 120.730 120.570 0.009 0.000 2.406 348 I HA -0.038 4.132 4.170 0.000 0.000 0.249 348 I C 2.702 178.820 176.117 0.002 0.000 1.122 348 I CA 0.783 62.086 61.300 0.005 0.000 1.431 348 I CB -0.076 37.929 38.000 0.008 0.000 1.087 348 I HN 0.064 nan 8.210 nan 0.000 0.424 349 K N 1.121 121.524 120.400 0.004 0.000 1.985 349 K HA -0.161 4.159 4.320 0.000 0.000 0.210 349 K C 1.731 178.333 176.600 0.003 0.000 1.047 349 K CA 1.321 57.610 56.287 0.003 0.000 0.932 349 K CB -0.152 32.351 32.500 0.005 0.000 0.716 349 K HN -0.050 nan 8.250 nan 0.000 0.439 350 K N 1.082 121.484 120.400 0.004 0.000 2.616 350 K HA -0.069 4.251 4.320 0.000 0.000 0.192 350 K C 1.386 177.988 176.600 0.003 0.000 1.031 350 K CA 0.659 56.948 56.287 0.004 0.000 1.004 350 K CB 0.060 32.563 32.500 0.005 0.000 0.810 350 K HN 0.199 nan 8.250 nan 0.000 0.497 351 E N -0.523 119.679 120.200 0.002 0.000 2.367 351 E HA 0.094 4.444 4.350 0.000 0.000 0.204 351 E C 1.479 178.078 176.600 -0.001 0.000 0.840 351 E CA 0.144 56.544 56.400 0.001 0.000 1.051 351 E CB 0.226 29.926 29.700 0.001 0.000 1.051 351 E HN 0.187 nan 8.360 nan 0.000 0.509 352 L N 1.943 123.164 121.223 -0.003 0.000 2.191 352 L HA -0.125 4.215 4.340 0.000 0.000 0.212 352 L C 1.704 178.573 176.870 -0.002 0.000 1.103 352 L CA 1.457 56.294 54.840 -0.005 0.000 0.769 352 L CB -0.345 41.710 42.059 -0.007 0.000 0.908 352 L HN 0.186 nan 8.230 nan 0.000 0.438 353 E N -0.766 119.435 120.200 0.001 0.000 2.379 353 E HA -0.015 4.335 4.350 0.000 0.000 0.209 353 E C 0.247 176.849 176.600 0.003 0.000 1.284 353 E CA 0.333 56.734 56.400 0.002 0.000 1.333 353 E CB -0.117 29.585 29.700 0.003 0.000 1.307 353 E HN 0.261 nan 8.360 nan 0.000 0.441 354 T N -1.230 113.326 114.554 0.003 0.000 3.419 354 T HA 0.012 4.362 4.350 0.000 0.000 0.291 354 T C 0.092 174.795 174.700 0.005 0.000 0.865 354 T CA -0.315 61.788 62.100 0.005 0.000 0.861 354 T CB 0.755 69.626 68.868 0.005 0.000 1.229 354 T HN 0.118 nan 8.240 nan 0.000 0.727 355 T N 2.703 117.258 114.554 0.003 0.000 2.817 355 T HA 0.343 4.693 4.350 0.000 0.000 0.293 355 T C 0.189 174.894 174.700 0.008 0.000 0.964 355 T CA -0.297 61.805 62.100 0.003 0.000 1.085 355 T CB 1.523 70.388 68.868 -0.005 0.000 0.921 355 T HN 0.052 nan 8.240 nan 0.000 0.502 356 D N 1.593 122.001 120.400 0.014 0.000 2.799 356 D HA 0.028 4.668 4.640 0.000 0.000 0.267 356 D C 0.983 177.299 176.300 0.028 0.000 1.468 356 D CA 0.436 54.447 54.000 0.019 0.000 1.077 356 D CB -0.395 40.417 40.800 0.020 0.000 1.065 356 D HN 0.620 nan 8.370 nan 0.000 0.359 357 S N 1.999 117.723 115.700 0.040 0.000 3.480 357 S HA -0.166 4.304 4.470 0.000 0.000 0.411 357 S C 0.996 175.638 174.600 0.071 0.000 1.164 357 S CA 0.169 58.408 58.200 0.064 0.000 1.084 357 S CB 0.285 63.538 63.200 0.089 0.000 0.759 357 S HN 0.254 nan 8.310 nan 0.000 0.515 358 E N 2.385 122.627 120.200 0.070 0.000 2.233 358 E HA -0.277 4.073 4.350 0.000 0.000 0.199 358 E C 1.269 177.925 176.600 0.094 0.000 1.004 358 E CA 1.491 57.930 56.400 0.064 0.000 0.819 358 E CB -0.171 29.565 29.700 0.060 0.000 0.738 358 E HN 0.990 nan 8.360 nan 0.000 0.478 359 Y N 0.183 120.482 120.300 -0.002 0.000 2.242 359 Y HA -0.070 4.481 4.550 0.001 0.000 0.291 359 Y C 1.964 177.862 175.900 -0.002 0.000 1.137 359 Y CA 1.396 59.493 58.100 -0.004 0.000 1.181 359 Y CB -0.492 37.964 38.460 -0.006 0.000 0.989 359 Y HN 0.097 nan 8.280 nan 0.000 0.527 360 A N 0.529 123.293 122.820 -0.094 0.000 2.014 360 A HA -0.082 4.238 4.320 0.000 0.000 0.218 360 A C 2.199 179.702 177.584 -0.135 0.000 1.163 360 A CA 1.157 53.096 52.037 -0.164 0.000 0.652 360 A CB -0.435 18.543 19.000 -0.037 0.000 0.808 360 A HN 0.516 nan 8.150 nan 0.000 0.449 361 R N -0.289 120.165 120.500 -0.077 0.000 2.236 361 R HA 0.014 4.354 4.340 0.000 0.000 0.208 361 R C 1.345 177.601 176.300 -0.072 0.000 1.036 361 R CA 1.027 57.095 56.100 -0.054 0.000 1.001 361 R CB -0.065 30.224 30.300 -0.020 0.000 0.896 361 R HN 0.628 nan 8.270 nan 0.000 0.464 362 E N 0.289 120.422 120.200 -0.113 0.000 2.276 362 E HA -0.010 4.340 4.350 0.000 0.000 0.193 362 E C 1.536 178.044 176.600 -0.153 0.000 0.983 362 E CA 0.287 56.623 56.400 -0.106 0.000 0.861 362 E CB 0.373 30.029 29.700 -0.072 0.000 0.817 362 E HN 0.067 nan 8.360 nan 0.000 0.485 363 K N 0.722 120.973 120.400 -0.247 0.000 2.044 363 K HA 0.013 4.333 4.320 0.000 0.000 0.204 363 K C 1.890 178.420 176.600 -0.116 0.000 1.049 363 K CA 0.687 56.840 56.287 -0.223 0.000 0.945 363 K CB -0.197 32.110 32.500 -0.321 0.000 0.724 363 K HN 0.169 nan 8.250 nan 0.000 0.440 364 L N 1.316 122.478 121.223 -0.101 0.000 2.711 364 L HA -0.042 4.299 4.340 0.000 0.000 0.242 364 L C 1.992 178.838 176.870 -0.040 0.000 1.153 364 L CA 0.292 55.100 54.840 -0.053 0.000 0.898 364 L CB -0.164 41.868 42.059 -0.044 0.000 1.044 364 L HN 0.125 nan 8.230 nan 0.000 0.437 365 Q N 0.790 120.559 119.800 -0.051 0.000 2.548 365 Q HA -0.087 4.253 4.340 0.000 0.000 0.230 365 Q C 1.956 177.932 176.000 -0.040 0.000 0.899 365 Q CA 0.867 56.646 55.803 -0.040 0.000 0.936 365 Q CB 0.246 28.958 28.738 -0.043 0.000 1.114 365 Q HN 0.551 nan 8.270 nan 0.000 0.606 366 E N -0.296 119.873 120.200 -0.051 0.000 2.333 366 E HA -0.175 4.175 4.350 0.000 0.000 0.198 366 E C 1.787 178.354 176.600 -0.055 0.000 1.007 366 E CA 0.591 56.957 56.400 -0.057 0.000 0.845 366 E CB -0.050 29.616 29.700 -0.057 0.000 0.766 366 E HN 0.168 nan 8.360 nan 0.000 0.507 367 R N 0.174 120.661 120.500 -0.022 0.000 2.055 367 R HA -0.029 4.311 4.340 0.000 0.000 0.228 367 R C 2.365 178.679 176.300 0.024 0.000 1.143 367 R CA 1.141 57.255 56.100 0.024 0.000 0.945 367 R CB -0.415 29.913 30.300 0.046 0.000 0.841 367 R HN 0.212 nan 8.270 nan 0.000 0.429 368 L N 0.731 121.962 121.223 0.012 0.000 2.450 368 L HA -0.051 4.289 4.340 0.000 0.000 0.224 368 L C 1.693 178.562 176.870 -0.002 0.000 1.149 368 L CA 1.486 56.334 54.840 0.014 0.000 0.816 368 L CB -0.313 41.749 42.059 0.005 0.000 0.932 368 L HN 0.152 nan 8.230 nan 0.000 0.449 369 A N -0.729 122.075 122.820 -0.028 0.000 1.871 369 A HA -0.039 4.281 4.320 0.000 0.000 0.211 369 A C 2.247 179.789 177.584 -0.071 0.000 1.207 369 A CA 0.936 52.948 52.037 -0.042 0.000 0.620 369 A CB -0.288 18.679 19.000 -0.056 0.000 0.860 369 A HN 0.397 nan 8.150 nan 0.000 0.450 370 K N 0.098 120.410 120.400 -0.146 0.000 2.020 370 K HA -0.096 4.224 4.320 0.000 0.000 0.212 370 K C 1.781 178.310 176.600 -0.118 0.000 1.050 370 K CA 1.585 57.682 56.287 -0.317 0.000 0.929 370 K CB -0.503 31.538 32.500 -0.765 0.000 0.714 370 K HN 0.403 nan 8.250 nan 0.000 0.443 371 L N 0.267 121.513 121.223 0.039 0.000 2.187 371 L HA -0.162 4.178 4.340 0.000 0.000 0.213 371 L C 1.941 178.858 176.870 0.078 0.000 1.100 371 L CA 0.818 55.744 54.840 0.143 0.000 0.765 371 L CB -0.339 41.800 42.059 0.132 0.000 0.904 371 L HN 0.216 nan 8.230 nan 0.000 0.437 372 A N -0.477 122.363 122.820 0.034 0.000 2.460 372 A HA 0.379 4.699 4.320 0.000 0.000 0.258 372 A C 1.531 179.127 177.584 0.019 0.000 1.300 372 A CA 0.376 52.428 52.037 0.026 0.000 0.913 372 A CB -0.437 18.573 19.000 0.017 0.000 1.031 372 A HN 0.416 nan 8.150 nan 0.000 0.512 373 G N -0.593 108.216 108.800 0.016 0.000 2.422 373 G HA2 -0.006 3.954 3.960 0.000 0.000 0.301 373 G HA3 -0.006 3.954 3.960 0.000 0.000 0.301 373 G C 0.567 175.475 174.900 0.015 0.000 0.981 373 G CA 0.530 45.635 45.100 0.009 0.000 0.994 373 G HN 1.591 nan 8.290 nan 0.000 0.514 374 G N -1.294 107.512 108.800 0.010 0.000 3.329 374 G HA2 0.584 4.545 3.960 0.000 0.000 0.313 374 G HA3 0.584 4.545 3.960 0.000 0.000 0.313 374 G C -0.959 173.955 174.900 0.023 0.000 1.611 374 G CA -0.213 44.912 45.100 0.041 0.000 0.991 374 G HN 0.841 nan 8.290 nan 0.000 0.508 375 V N 1.578 121.506 119.914 0.023 0.000 2.443 375 V HA 0.760 4.881 4.120 0.000 0.000 0.293 375 V C 0.275 176.333 176.094 -0.060 0.000 1.021 375 V CA -0.647 61.634 62.300 -0.031 0.000 0.848 375 V CB 1.349 33.133 31.823 -0.066 0.000 0.998 375 V HN 0.925 nan 8.190 nan 0.000 0.424 376 A N 4.823 127.550 122.820 -0.155 0.000 2.306 376 A HA 0.933 5.253 4.320 0.000 0.000 0.330 376 A C -0.870 176.537 177.584 -0.296 0.000 1.146 376 A CA -0.577 51.227 52.037 -0.389 0.000 0.827 376 A CB 1.724 20.419 19.000 -0.508 0.000 1.178 376 A HN 0.726 nan 8.150 nan 0.000 0.490 377 V N 3.033 122.741 119.914 -0.342 0.000 2.610 377 V HA 0.267 4.387 4.120 0.000 0.000 0.298 377 V C -0.793 175.139 176.094 -0.269 0.000 1.067 377 V CA -0.066 62.086 62.300 -0.247 0.000 0.894 377 V CB 1.456 33.174 31.823 -0.174 0.000 1.015 377 V HN 0.758 nan 8.190 nan 0.000 0.432 378 I N 5.170 125.566 120.570 -0.291 0.000 2.325 378 I HA 0.478 4.649 4.170 0.000 0.000 0.291 378 I C 0.438 176.353 176.117 -0.336 0.000 1.019 378 I CA -0.353 60.733 61.300 -0.356 0.000 1.302 378 I CB 0.906 38.582 38.000 -0.540 0.000 1.401 378 I HN 0.412 nan 8.210 nan 0.000 0.485 379 R N 5.817 126.162 120.500 -0.258 0.000 2.233 379 R HA 0.397 4.737 4.340 0.000 0.000 0.334 379 R C -0.870 175.316 176.300 -0.190 0.000 1.037 379 R CA -0.692 55.292 56.100 -0.193 0.000 0.920 379 R CB 1.265 31.491 30.300 -0.123 0.000 1.137 379 R HN 0.391 nan 8.270 nan 0.000 0.492 380 V N 2.726 122.509 119.914 -0.218 0.000 2.529 380 V HA 0.189 4.309 4.120 0.000 0.000 0.292 380 V C 1.067 177.143 176.094 -0.029 0.000 1.028 380 V CA -0.100 62.124 62.300 -0.127 0.000 1.074 380 V CB 1.015 32.794 31.823 -0.072 0.000 0.958 380 V HN 0.861 nan 8.190 nan 0.000 0.481 381 G N 2.906 111.713 108.800 0.012 0.000 2.454 381 G HA2 0.855 4.815 3.960 0.000 0.000 0.329 381 G HA3 0.855 4.815 3.960 0.000 0.000 0.329 381 G C -0.688 174.236 174.900 0.040 0.000 1.177 381 G CA -0.076 45.034 45.100 0.017 0.000 0.951 381 G HN 1.250 nan 8.290 nan 0.000 0.485 382 A N -0.738 122.099 122.820 0.028 0.000 2.586 382 A HA 0.761 5.081 4.320 0.000 0.000 0.291 382 A C 0.598 178.194 177.584 0.019 0.000 1.062 382 A CA 0.365 52.420 52.037 0.030 0.000 0.666 382 A CB 0.681 19.703 19.000 0.037 0.000 1.281 382 A HN 1.854 nan 8.150 nan 0.000 0.421 383 A N -0.178 122.653 122.820 0.018 0.000 2.016 383 A HA 0.449 4.769 4.320 0.000 0.000 0.217 383 A C 1.186 178.776 177.584 0.011 0.000 1.162 383 A CA 2.166 54.211 52.037 0.012 0.000 0.662 383 A CB -0.436 18.571 19.000 0.011 0.000 0.812 383 A HN 2.071 nan 8.150 nan 0.000 0.450 384 T N -4.580 109.981 114.554 0.013 0.000 2.906 384 T HA 0.512 4.863 4.350 0.000 0.000 0.295 384 T C 0.322 175.030 174.700 0.014 0.000 1.075 384 T CA -0.031 62.075 62.100 0.011 0.000 1.005 384 T CB 1.845 70.719 68.868 0.010 0.000 1.136 384 T HN 0.005 nan 8.240 nan 0.000 0.498 385 E N 1.099 121.306 120.200 0.012 0.000 2.085 385 E HA -0.091 4.259 4.350 0.000 0.000 0.194 385 E C 1.979 178.589 176.600 0.015 0.000 0.994 385 E CA 2.258 58.666 56.400 0.013 0.000 0.801 385 E CB -0.876 28.829 29.700 0.010 0.000 0.743 385 E HN 0.782 nan 8.360 nan 0.000 0.453 386 T N 0.239 114.801 114.554 0.013 0.000 2.746 386 T HA -0.166 4.184 4.350 0.000 0.000 0.267 386 T C 1.739 176.448 174.700 0.015 0.000 1.039 386 T CA 1.459 63.566 62.100 0.011 0.000 1.142 386 T CB -0.287 68.585 68.868 0.007 0.000 0.866 386 T HN 0.348 nan 8.240 nan 0.000 0.444 387 E N 0.553 120.764 120.200 0.018 0.000 2.028 387 E HA -0.122 4.228 4.350 0.000 0.000 0.191 387 E C 2.213 178.834 176.600 0.036 0.000 0.988 387 E CA 0.794 57.208 56.400 0.023 0.000 0.799 387 E CB -0.222 29.490 29.700 0.021 0.000 0.755 387 E HN 0.274 nan 8.360 nan 0.000 0.447 388 L N 1.988 123.233 121.223 0.037 0.000 2.013 388 L HA -0.243 4.097 4.340 0.000 0.000 0.212 388 L C 2.365 179.272 176.870 0.062 0.000 1.073 388 L CA 2.235 57.105 54.840 0.049 0.000 0.753 388 L CB -0.557 41.522 42.059 0.034 0.000 0.890 388 L HN 0.056 nan 8.230 nan 0.000 0.432 389 K N -1.123 119.306 120.400 0.047 0.000 2.211 389 K HA -0.263 4.057 4.320 0.000 0.000 0.204 389 K C 2.035 178.683 176.600 0.080 0.000 1.047 389 K CA 1.716 58.035 56.287 0.054 0.000 0.935 389 K CB -0.011 32.506 32.500 0.029 0.000 0.728 389 K HN 0.454 nan 8.250 nan 0.000 0.452 390 E N 0.802 121.044 120.200 0.070 0.000 2.102 390 E HA -0.073 4.277 4.350 0.000 0.000 0.190 390 E C 1.734 178.407 176.600 0.121 0.000 0.971 390 E CA 1.129 57.580 56.400 0.085 0.000 0.821 390 E CB 0.050 29.773 29.700 0.038 0.000 0.777 390 E HN 0.183 nan 8.360 nan 0.000 0.460 391 K N 0.683 121.143 120.400 0.100 0.000 2.009 391 K HA -0.226 4.095 4.320 0.000 0.000 0.210 391 K C 2.188 178.922 176.600 0.222 0.000 1.049 391 K CA 1.824 58.180 56.287 0.115 0.000 0.929 391 K CB -0.148 32.427 32.500 0.125 0.000 0.714 391 K HN -0.005 nan 8.250 nan 0.000 0.440 392 K N -0.359 120.175 120.400 0.224 0.000 2.044 392 K HA -0.280 4.041 4.320 0.000 0.000 0.210 392 K C 2.175 178.908 176.600 0.222 0.000 1.049 392 K CA 2.142 58.570 56.287 0.235 0.000 0.927 392 K CB -0.280 32.294 32.500 0.124 0.000 0.713 392 K HN 0.289 nan 8.250 nan 0.000 0.443 393 H N 0.298 119.427 119.070 0.097 0.000 2.353 393 H HA -0.022 4.534 4.556 0.001 0.000 0.300 393 H C 1.966 177.326 175.328 0.054 0.000 1.090 393 H CA 1.914 58.000 56.048 0.063 0.000 1.327 393 H CB 0.181 29.962 29.762 0.031 0.000 1.383 393 H HN 0.158 nan 8.280 nan 0.000 0.508 394 R N -0.962 119.564 120.500 0.043 0.000 2.091 394 R HA -0.142 4.198 4.340 0.000 0.000 0.238 394 R C 2.163 178.376 176.300 -0.145 0.000 1.136 394 R CA 1.595 57.645 56.100 -0.084 0.000 0.959 394 R CB -0.415 29.812 30.300 -0.122 0.000 0.856 394 R HN 0.327 nan 8.270 nan 0.000 0.437 395 F N 1.313 121.216 119.950 -0.078 0.000 2.046 395 F HA -0.228 4.299 4.527 0.000 0.000 0.297 395 F C 2.420 178.151 175.800 -0.115 0.000 1.123 395 F CA 1.630 59.582 58.000 -0.080 0.000 1.199 395 F CB -0.247 38.716 39.000 -0.062 0.000 0.972 395 F HN 0.070 nan 8.300 nan 0.000 0.474 396 E N -0.097 120.137 120.200 0.057 0.000 2.114 396 E HA -0.262 4.089 4.350 0.000 0.000 0.199 396 E C 1.727 178.251 176.600 -0.128 0.000 1.008 396 E CA 1.585 57.945 56.400 -0.066 0.000 0.810 396 E CB -0.357 29.260 29.700 -0.140 0.000 0.739 396 E HN 0.427 nan 8.360 nan 0.000 0.456 397 D N 0.462 120.729 120.400 -0.222 0.000 2.097 397 D HA -0.099 4.541 4.640 0.000 0.000 0.197 397 D C 2.002 178.251 176.300 -0.085 0.000 0.984 397 D CA 1.348 55.248 54.000 -0.166 0.000 0.826 397 D CB -0.387 40.312 40.800 -0.167 0.000 0.973 397 D HN 0.170 nan 8.370 nan 0.000 0.460 398 A N 0.949 123.723 122.820 -0.078 0.000 1.903 398 A HA -0.205 4.116 4.320 0.000 0.000 0.219 398 A C 2.436 180.007 177.584 -0.021 0.000 1.191 398 A CA 1.301 53.307 52.037 -0.052 0.000 0.638 398 A CB -0.953 18.010 19.000 -0.062 0.000 0.823 398 A HN 0.235 nan 8.150 nan 0.000 0.451 399 L N -0.367 120.854 121.223 -0.002 0.000 1.970 399 L HA -0.247 4.093 4.340 0.000 0.000 0.212 399 L C 2.433 179.295 176.870 -0.013 0.000 1.071 399 L CA 1.583 56.423 54.840 0.000 0.000 0.751 399 L CB -0.832 41.229 42.059 0.004 0.000 0.889 399 L HN 0.439 nan 8.230 nan 0.000 0.432 400 N N 0.248 118.934 118.700 -0.024 0.000 2.137 400 N HA -0.220 4.520 4.740 0.000 0.000 0.190 400 N C 1.778 177.278 175.510 -0.017 0.000 1.017 400 N CA 1.658 54.696 53.050 -0.020 0.000 0.859 400 N CB -0.266 38.205 38.487 -0.026 0.000 1.002 400 N HN 0.397 nan 8.380 nan 0.000 0.428 401 A N 1.068 123.875 122.820 -0.021 0.000 1.841 401 A HA -0.122 4.198 4.320 0.000 0.000 0.214 401 A C 2.449 180.025 177.584 -0.013 0.000 1.195 401 A CA 2.120 54.146 52.037 -0.019 0.000 0.611 401 A CB -1.241 17.743 19.000 -0.026 0.000 0.835 401 A HN 0.298 nan 8.150 nan 0.000 0.443 402 T N 0.297 114.844 114.554 -0.012 0.000 2.597 402 T HA -0.235 4.115 4.350 0.000 0.000 0.267 402 T C 2.081 176.779 174.700 -0.005 0.000 1.053 402 T CA 1.689 63.785 62.100 -0.006 0.000 1.165 402 T CB -0.372 68.495 68.868 -0.002 0.000 0.863 402 T HN 0.363 nan 8.240 nan 0.000 0.427 403 R N 1.416 121.913 120.500 -0.005 0.000 2.112 403 R HA -0.047 4.293 4.340 0.000 0.000 0.242 403 R C 2.756 179.054 176.300 -0.003 0.000 1.137 403 R CA 1.785 57.883 56.100 -0.004 0.000 0.944 403 R CB -1.405 28.892 30.300 -0.005 0.000 0.857 403 R HN 0.523 nan 8.270 nan 0.000 0.435 404 A N 0.869 123.687 122.820 -0.004 0.000 1.969 404 A HA 0.016 4.336 4.320 0.000 0.000 0.218 404 A C 2.389 179.971 177.584 -0.003 0.000 1.169 404 A CA 1.628 53.663 52.037 -0.003 0.000 0.635 404 A CB -0.465 18.532 19.000 -0.004 0.000 0.810 404 A HN 0.371 nan 8.150 nan 0.000 0.445 405 A N -0.348 122.469 122.820 -0.004 0.000 1.877 405 A HA -0.016 4.305 4.320 0.000 0.000 0.216 405 A C 2.206 179.789 177.584 -0.002 0.000 1.186 405 A CA 1.808 53.842 52.037 -0.004 0.000 0.620 405 A CB -0.983 18.013 19.000 -0.006 0.000 0.822 405 A HN 0.402 nan 8.150 nan 0.000 0.443 406 V N 0.238 120.152 119.914 -0.001 0.000 2.343 406 V HA -0.291 3.829 4.120 0.000 0.000 0.247 406 V C 2.391 178.485 176.094 0.001 0.000 1.051 406 V CA 2.322 64.623 62.300 0.001 0.000 1.036 406 V CB -0.979 30.846 31.823 0.002 0.000 0.654 406 V HN 0.626 nan 8.190 nan 0.000 0.451 407 E N 0.176 120.376 120.200 0.001 0.000 2.001 407 E HA -0.213 4.138 4.350 0.000 0.000 0.195 407 E C 2.018 178.619 176.600 0.002 0.000 1.002 407 E CA 1.631 58.031 56.400 0.001 0.000 0.819 407 E CB -0.142 29.558 29.700 0.001 0.000 0.769 407 E HN 0.658 nan 8.360 nan 0.000 0.454 408 E N -0.267 119.933 120.200 0.001 0.000 2.481 408 E HA 0.204 4.554 4.350 0.000 0.000 0.198 408 E C 0.485 177.086 176.600 0.001 0.000 1.027 408 E CA 0.194 56.595 56.400 0.001 0.000 0.900 408 E CB 1.314 31.015 29.700 0.002 0.000 0.993 408 E HN 0.284 nan 8.360 nan 0.000 0.482 409 G N 1.460 110.261 108.800 0.001 0.000 2.396 409 G HA2 -0.122 3.838 3.960 0.000 0.000 0.254 409 G HA3 -0.122 3.838 3.960 0.000 0.000 0.254 409 G C -1.239 173.660 174.900 -0.001 0.000 1.248 409 G CA -0.651 44.449 45.100 0.000 0.000 1.033 409 G HN 0.109 nan 8.290 nan 0.000 0.502 410 I N 0.099 120.668 120.570 -0.001 0.000 2.722 410 I HA 0.667 4.837 4.170 0.000 0.000 0.295 410 I C 0.004 176.119 176.117 -0.002 0.000 1.161 410 I CA -1.097 60.201 61.300 -0.004 0.000 1.032 410 I CB 2.115 40.113 38.000 -0.005 0.000 1.244 410 I HN 1.166 nan 8.210 nan 0.000 0.421 411 V N 3.511 123.422 119.914 -0.005 0.000 3.141 411 V HA 0.732 4.852 4.120 0.000 0.000 0.312 411 V C -2.778 173.311 176.094 -0.007 0.000 1.157 411 V CA -2.139 60.159 62.300 -0.003 0.000 1.041 411 V CB 1.532 33.354 31.823 -0.001 0.000 1.071 411 V HN 0.548 nan 8.190 nan 0.000 0.441 412 P HA 0.246 nan 4.420 nan 0.000 0.271 412 P C 0.284 177.571 177.300 -0.023 0.000 1.216 412 P CA 0.662 63.754 63.100 -0.013 0.000 0.771 412 P CB 1.025 32.724 31.700 -0.002 0.000 0.864 413 G N 1.633 110.410 108.800 -0.038 0.000 2.546 413 G HA2 0.376 4.337 3.960 0.000 0.000 0.239 413 G HA3 0.376 4.337 3.960 0.000 0.000 0.239 413 G C 0.799 175.665 174.900 -0.058 0.000 1.476 413 G CA -0.215 44.857 45.100 -0.047 0.000 1.064 413 G HN 0.733 nan 8.290 nan 0.000 0.561 414 G N -1.740 107.020 108.800 -0.067 0.000 2.321 414 G HA2 0.189 4.149 3.960 0.000 0.000 0.287 414 G HA3 0.189 4.149 3.960 0.000 0.000 0.287 414 G C 1.563 176.436 174.900 -0.045 0.000 1.018 414 G CA 1.348 46.405 45.100 -0.072 0.000 0.855 414 G HN 2.423 nan 8.290 nan 0.000 0.507 415 G N -2.773 106.008 108.800 -0.031 0.000 2.220 415 G HA2 -0.292 3.669 3.960 0.000 0.000 0.269 415 G HA3 -0.292 3.669 3.960 0.000 0.000 0.269 415 G C 1.517 176.408 174.900 -0.014 0.000 0.977 415 G CA 1.279 46.369 45.100 -0.018 0.000 0.634 415 G HN 1.465 nan 8.290 nan 0.000 0.539 416 V N 0.548 120.448 119.914 -0.023 0.000 2.282 416 V HA -0.234 3.886 4.120 0.000 0.000 0.249 416 V C 2.926 179.021 176.094 0.003 0.000 1.057 416 V CA 3.300 65.592 62.300 -0.014 0.000 1.032 416 V CB -1.019 30.788 31.823 -0.027 0.000 0.645 416 V HN 0.683 nan 8.190 nan 0.000 0.447 417 T N -0.295 114.259 114.554 -0.001 0.000 2.720 417 T HA -0.194 4.157 4.350 0.000 0.000 0.268 417 T C 1.708 176.413 174.700 0.009 0.000 1.037 417 T CA 1.947 64.051 62.100 0.006 0.000 1.144 417 T CB -0.262 68.607 68.868 0.002 0.000 0.864 417 T HN 0.329 nan 8.240 nan 0.000 0.444 418 L N 0.502 121.728 121.223 0.005 0.000 2.201 418 L HA 0.158 4.498 4.340 0.000 0.000 0.212 418 L C 2.500 179.377 176.870 0.012 0.000 1.105 418 L CA 0.962 55.807 54.840 0.007 0.000 0.775 418 L CB -0.585 41.477 42.059 0.004 0.000 0.913 418 L HN 0.280 nan 8.230 nan 0.000 0.440 419 L N -0.885 120.346 121.223 0.014 0.000 2.093 419 L HA -0.149 4.192 4.340 0.000 0.000 0.208 419 L C 2.635 179.520 176.870 0.026 0.000 1.085 419 L CA 0.797 55.649 54.840 0.021 0.000 0.755 419 L CB -0.450 41.624 42.059 0.025 0.000 0.904 419 L HN 0.232 nan 8.230 nan 0.000 0.435 420 R N 0.195 120.712 120.500 0.028 0.000 2.237 420 R HA -0.042 4.298 4.340 0.000 0.000 0.219 420 R C 2.120 178.434 176.300 0.024 0.000 1.080 420 R CA 1.108 57.227 56.100 0.031 0.000 0.995 420 R CB -0.803 29.517 30.300 0.033 0.000 0.875 420 R HN 0.327 nan 8.270 nan 0.000 0.462 421 A N 1.000 123.831 122.820 0.019 0.000 2.066 421 A HA -0.033 4.287 4.320 0.000 0.000 0.218 421 A C 2.189 179.782 177.584 0.015 0.000 1.157 421 A CA 0.568 52.614 52.037 0.015 0.000 0.670 421 A CB -0.356 18.651 19.000 0.012 0.000 0.804 421 A HN 0.160 nan 8.150 nan 0.000 0.453 422 I N 0.882 121.463 120.570 0.017 0.000 2.118 422 I HA -0.337 3.833 4.170 0.000 0.000 0.241 422 I C 2.921 179.048 176.117 0.016 0.000 1.070 422 I CA 1.830 63.140 61.300 0.017 0.000 1.327 422 I CB -0.550 37.462 38.000 0.019 0.000 1.034 422 I HN 0.511 nan 8.210 nan 0.000 0.405 423 S N 1.405 117.117 115.700 0.019 0.000 2.407 423 S HA -0.256 4.214 4.470 0.000 0.000 0.235 423 S C 2.148 176.756 174.600 0.014 0.000 1.036 423 S CA 1.185 59.396 58.200 0.017 0.000 1.013 423 S CB -0.757 62.455 63.200 0.020 0.000 0.820 423 S HN 0.481 nan 8.310 nan 0.000 0.476 424 A N 1.551 124.379 122.820 0.014 0.000 1.872 424 A HA 0.121 4.441 4.320 0.000 0.000 0.214 424 A C 2.443 180.033 177.584 0.010 0.000 1.187 424 A CA 1.493 53.537 52.037 0.012 0.000 0.614 424 A CB -1.025 17.982 19.000 0.011 0.000 0.826 424 A HN 0.487 nan 8.150 nan 0.000 0.442 425 V N 0.038 119.958 119.914 0.011 0.000 2.407 425 V HA -0.237 3.883 4.120 0.000 0.000 0.248 425 V C 2.487 178.587 176.094 0.009 0.000 1.055 425 V CA 2.309 64.614 62.300 0.010 0.000 1.049 425 V CB -0.887 30.942 31.823 0.010 0.000 0.662 425 V HN 0.648 nan 8.190 nan 0.000 0.455 426 E N 0.824 121.030 120.200 0.010 0.000 2.033 426 E HA -0.277 4.074 4.350 0.000 0.000 0.199 426 E C 2.153 178.758 176.600 0.009 0.000 1.011 426 E CA 1.875 58.281 56.400 0.010 0.000 0.815 426 E CB -0.326 29.381 29.700 0.011 0.000 0.755 426 E HN 0.562 nan 8.360 nan 0.000 0.451 427 E N -0.351 119.855 120.200 0.009 0.000 2.118 427 E HA -0.171 4.180 4.350 0.000 0.000 0.195 427 E C 1.919 178.523 176.600 0.007 0.000 0.992 427 E CA 1.023 57.428 56.400 0.008 0.000 0.804 427 E CB -0.456 29.249 29.700 0.008 0.000 0.741 427 E HN 0.316 nan 8.360 nan 0.000 0.458 428 L N 0.332 121.560 121.223 0.007 0.000 2.046 428 L HA -0.095 4.245 4.340 0.000 0.000 0.208 428 L C 2.061 178.935 176.870 0.006 0.000 1.077 428 L CA 1.656 56.500 54.840 0.007 0.000 0.747 428 L CB -0.603 41.460 42.059 0.007 0.000 0.896 428 L HN 0.239 nan 8.230 nan 0.000 0.432 429 I N -0.205 120.369 120.570 0.007 0.000 2.194 429 I HA -0.362 3.809 4.170 0.000 0.000 0.246 429 I C 2.352 178.472 176.117 0.006 0.000 1.093 429 I CA 1.640 62.944 61.300 0.006 0.000 1.355 429 I CB -0.501 37.503 38.000 0.007 0.000 1.046 429 I HN 0.293 nan 8.210 nan 0.000 0.413 430 K N 0.500 120.903 120.400 0.006 0.000 2.281 430 K HA -0.223 4.097 4.320 0.000 0.000 0.203 430 K C 1.873 178.476 176.600 0.005 0.000 1.046 430 K CA 1.047 57.338 56.287 0.005 0.000 0.938 430 K CB -0.118 32.385 32.500 0.005 0.000 0.737 430 K HN 0.047 nan 8.250 nan 0.000 0.458 431 K N 0.639 121.042 120.400 0.005 0.000 2.358 431 K HA 0.184 4.505 4.320 0.000 0.000 0.197 431 K C -0.059 176.543 176.600 0.005 0.000 1.025 431 K CA 0.116 56.406 56.287 0.005 0.000 1.104 431 K CB 0.409 32.912 32.500 0.005 0.000 0.855 431 K HN -0.049 nan 8.250 nan 0.000 0.531 432 L N 0.410 121.636 121.223 0.005 0.000 2.358 432 L HA 0.453 4.793 4.340 0.000 0.000 0.268 432 L C 0.119 176.992 176.870 0.005 0.000 1.032 432 L CA -0.729 54.114 54.840 0.005 0.000 0.805 432 L CB 1.793 43.855 42.059 0.005 0.000 1.253 432 L HN 0.058 nan 8.230 nan 0.000 0.452 433 E N -0.612 119.591 120.200 0.005 0.000 2.447 433 E HA 0.512 4.862 4.350 0.000 0.000 0.258 433 E C -0.016 176.587 176.600 0.005 0.000 0.916 433 E CA -0.372 56.030 56.400 0.005 0.000 0.846 433 E CB 1.449 31.151 29.700 0.004 0.000 1.517 433 E HN 0.714 nan 8.360 nan 0.000 0.418 434 G N 1.143 109.945 108.800 0.005 0.000 2.582 434 G HA2 -0.372 3.588 3.960 0.000 0.000 0.369 434 G HA3 -0.372 3.588 3.960 0.000 0.000 0.369 434 G C 0.421 175.325 174.900 0.005 0.000 1.370 434 G CA 0.822 45.925 45.100 0.005 0.000 0.955 434 G HN 0.694 nan 8.290 nan 0.000 0.525 435 D N 0.122 120.525 120.400 0.006 0.000 2.219 435 D HA -0.048 4.592 4.640 0.000 0.000 0.205 435 D C 2.141 178.445 176.300 0.006 0.000 0.970 435 D CA 1.283 55.286 54.000 0.006 0.000 0.851 435 D CB -0.170 40.634 40.800 0.007 0.000 0.943 435 D HN 0.666 nan 8.370 nan 0.000 0.488 436 E N 0.584 120.787 120.200 0.006 0.000 2.118 436 E HA -0.166 4.184 4.350 0.000 0.000 0.195 436 E C 2.008 178.612 176.600 0.006 0.000 0.992 436 E CA 0.977 57.381 56.400 0.006 0.000 0.804 436 E CB 0.095 29.798 29.700 0.006 0.000 0.741 436 E HN 0.176 nan 8.360 nan 0.000 0.458 437 A N 0.009 122.832 122.820 0.006 0.000 1.930 437 A HA -0.135 4.186 4.320 0.000 0.000 0.217 437 A C 2.318 179.906 177.584 0.006 0.000 1.175 437 A CA 1.747 53.788 52.037 0.006 0.000 0.627 437 A CB -0.718 18.285 19.000 0.005 0.000 0.815 437 A HN 0.260 nan 8.150 nan 0.000 0.443 438 T N -0.001 114.556 114.554 0.006 0.000 2.684 438 T HA -0.079 4.271 4.350 0.000 0.000 0.267 438 T C 2.015 176.719 174.700 0.006 0.000 1.036 438 T CA 1.550 63.653 62.100 0.006 0.000 1.148 438 T CB -0.783 68.089 68.868 0.006 0.000 0.863 438 T HN 0.587 nan 8.240 nan 0.000 0.436 439 G N 1.434 110.238 108.800 0.006 0.000 2.529 439 G HA2 -0.179 3.781 3.960 0.000 0.000 0.219 439 G HA3 -0.179 3.781 3.960 0.000 0.000 0.219 439 G C 1.860 176.763 174.900 0.006 0.000 1.177 439 G CA 1.213 46.317 45.100 0.006 0.000 0.773 439 G HN 0.604 nan 8.290 nan 0.000 0.573 440 A N 0.920 123.744 122.820 0.006 0.000 1.892 440 A HA -0.116 4.204 4.320 0.000 0.000 0.218 440 A C 2.314 179.902 177.584 0.007 0.000 1.188 440 A CA 2.236 54.277 52.037 0.007 0.000 0.631 440 A CB -0.498 18.506 19.000 0.007 0.000 0.822 440 A HN 0.422 nan 8.150 nan 0.000 0.447 441 K N -0.482 119.922 120.400 0.007 0.000 2.113 441 K HA -0.142 4.179 4.320 0.000 0.000 0.208 441 K C 1.804 178.408 176.600 0.007 0.000 1.047 441 K CA 1.601 57.892 56.287 0.007 0.000 0.928 441 K CB -0.485 32.019 32.500 0.007 0.000 0.716 441 K HN 0.594 nan 8.250 nan 0.000 0.446 442 I N 0.659 121.233 120.570 0.007 0.000 2.163 442 I HA -0.303 3.867 4.170 0.000 0.000 0.243 442 I C 2.272 178.393 176.117 0.007 0.000 1.085 442 I CA 1.219 62.523 61.300 0.007 0.000 1.347 442 I CB -0.442 37.562 38.000 0.007 0.000 1.044 442 I HN -0.054 nan 8.210 nan 0.000 0.408 443 V N 0.797 120.715 119.914 0.007 0.000 2.295 443 V HA -0.304 3.816 4.120 0.000 0.000 0.246 443 V C 2.641 178.739 176.094 0.008 0.000 1.049 443 V CA 2.058 64.362 62.300 0.007 0.000 1.024 443 V CB -0.847 30.980 31.823 0.007 0.000 0.648 443 V HN 0.426 nan 8.190 nan 0.000 0.447 444 R N 0.162 120.667 120.500 0.008 0.000 2.113 444 R HA -0.298 4.042 4.340 0.000 0.000 0.244 444 R C 2.441 178.747 176.300 0.010 0.000 1.142 444 R CA 2.468 58.574 56.100 0.010 0.000 0.953 444 R CB -0.253 30.053 30.300 0.010 0.000 0.860 444 R HN 0.408 nan 8.270 nan 0.000 0.438 445 R N 0.366 120.872 120.500 0.009 0.000 2.057 445 R HA 0.045 4.385 4.340 0.000 0.000 0.229 445 R C 2.055 178.360 176.300 0.008 0.000 1.136 445 R CA 1.903 58.008 56.100 0.009 0.000 0.952 445 R CB -0.929 29.376 30.300 0.008 0.000 0.848 445 R HN 0.301 nan 8.270 nan 0.000 0.430 446 A N 1.217 124.041 122.820 0.008 0.000 1.903 446 A HA -0.198 4.122 4.320 0.000 0.000 0.219 446 A C 2.281 179.869 177.584 0.007 0.000 1.191 446 A CA 1.977 54.019 52.037 0.007 0.000 0.638 446 A CB -1.021 17.983 19.000 0.006 0.000 0.823 446 A HN 0.413 nan 8.150 nan 0.000 0.451 447 L N -0.725 120.503 121.223 0.008 0.000 2.270 447 L HA -0.274 4.066 4.340 0.000 0.000 0.217 447 L C 2.350 179.225 176.870 0.008 0.000 1.107 447 L CA 1.760 56.605 54.840 0.008 0.000 0.772 447 L CB -0.575 41.490 42.059 0.010 0.000 0.902 447 L HN 0.550 nan 8.230 nan 0.000 0.439 448 E N -1.070 119.135 120.200 0.009 0.000 2.299 448 E HA -0.127 4.223 4.350 0.000 0.000 0.193 448 E C 1.890 178.495 176.600 0.007 0.000 0.998 448 E CA -0.027 56.379 56.400 0.009 0.000 0.851 448 E CB 0.109 29.815 29.700 0.010 0.000 0.795 448 E HN 0.329 nan 8.360 nan 0.000 0.492 449 E N 0.833 121.037 120.200 0.007 0.000 2.065 449 E HA -0.165 4.185 4.350 0.000 0.000 0.201 449 E C -0.681 175.922 176.600 0.006 0.000 1.016 449 E CA 1.467 57.871 56.400 0.007 0.000 0.818 449 E CB -1.486 28.217 29.700 0.006 0.000 0.749 449 E HN 0.220 nan 8.360 nan 0.000 0.453 450 P HA -0.174 nan 4.420 nan 0.000 0.214 450 P C 1.285 178.586 177.300 0.002 0.000 1.163 450 P CA 2.450 65.552 63.100 0.002 0.000 0.889 450 P CB -0.221 31.478 31.700 -0.001 0.000 0.790 451 A N -0.224 122.596 122.820 0.000 0.000 1.873 451 A HA -0.276 4.044 4.320 0.000 0.000 0.218 451 A C 2.307 179.895 177.584 0.006 0.000 1.193 451 A CA 1.879 53.916 52.037 -0.001 0.000 0.629 451 A CB -1.281 17.717 19.000 -0.003 0.000 0.826 451 A HN 0.017 nan 8.150 nan 0.000 0.447 452 R N -1.214 119.289 120.500 0.006 0.000 2.103 452 R HA -0.182 4.158 4.340 0.000 0.000 0.234 452 R C 2.496 178.810 176.300 0.023 0.000 1.132 452 R CA 1.742 57.849 56.100 0.011 0.000 0.925 452 R CB -0.465 29.841 30.300 0.010 0.000 0.842 452 R HN 0.542 nan 8.270 nan 0.000 0.430 453 Q N 0.470 120.282 119.800 0.020 0.000 2.152 453 Q HA -0.150 4.190 4.340 0.000 0.000 0.206 453 Q C 2.179 178.199 176.000 0.034 0.000 0.985 453 Q CA 1.411 57.228 55.803 0.025 0.000 0.863 453 Q CB -0.277 28.470 28.738 0.016 0.000 0.904 453 Q HN 0.454 nan 8.270 nan 0.000 0.422 454 I N 0.172 120.759 120.570 0.028 0.000 2.099 454 I HA -0.309 3.862 4.170 0.000 0.000 0.239 454 I C 2.358 178.517 176.117 0.071 0.000 1.066 454 I CA 1.210 62.529 61.300 0.030 0.000 1.324 454 I CB -0.565 37.440 38.000 0.009 0.000 1.037 454 I HN 0.090 nan 8.210 nan 0.000 0.401 455 A N 0.306 123.181 122.820 0.092 0.000 1.883 455 A HA -0.295 4.025 4.320 0.000 0.000 0.217 455 A C 2.180 179.889 177.584 0.208 0.000 1.186 455 A CA 2.210 54.343 52.037 0.160 0.000 0.624 455 A CB -0.687 18.340 19.000 0.045 0.000 0.822 455 A HN 0.420 nan 8.150 nan 0.000 0.444 456 E N 0.631 120.904 120.200 0.121 0.000 2.033 456 E HA -0.202 4.148 4.350 0.000 0.000 0.199 456 E C 1.731 178.393 176.600 0.103 0.000 1.011 456 E CA 2.027 58.487 56.400 0.100 0.000 0.815 456 E CB -0.548 29.185 29.700 0.055 0.000 0.755 456 E HN 0.763 nan 8.360 nan 0.000 0.451 457 N N -0.601 118.147 118.700 0.081 0.000 2.430 457 N HA -0.161 4.579 4.740 0.000 0.000 0.186 457 N C 1.283 176.850 175.510 0.096 0.000 1.032 457 N CA 0.506 53.596 53.050 0.066 0.000 0.893 457 N CB -0.074 38.440 38.487 0.044 0.000 0.957 457 N HN 0.194 nan 8.380 nan 0.000 0.442 458 A N 0.436 123.360 122.820 0.174 0.000 2.132 458 A HA 0.323 4.643 4.320 0.000 0.000 0.213 458 A C 1.474 179.232 177.584 0.290 0.000 1.154 458 A CA 0.835 53.031 52.037 0.266 0.000 0.753 458 A CB 0.136 19.348 19.000 0.353 0.000 0.826 458 A HN 0.291 nan 8.150 nan 0.000 0.469 459 G N -2.213 106.700 108.800 0.188 0.000 2.181 459 G HA2 -0.129 3.831 3.960 0.000 0.000 0.152 459 G HA3 -0.129 3.831 3.960 0.000 0.000 0.152 459 G C -0.379 174.342 174.900 -0.299 0.000 1.026 459 G CA -0.026 45.033 45.100 -0.068 0.000 0.699 459 G HN 0.389 nan 8.290 nan 0.000 0.497 460 Y N -0.795 119.524 120.300 0.031 0.000 2.665 460 Y HA 0.688 5.238 4.550 0.000 0.000 0.336 460 Y C 0.111 175.992 175.900 -0.033 0.000 1.085 460 Y CA -1.392 56.704 58.100 -0.006 0.000 1.096 460 Y CB 1.014 39.451 38.460 -0.039 0.000 1.301 460 Y HN -0.037 nan 8.280 nan 0.000 0.493 461 E N 0.940 121.206 120.200 0.109 0.000 1.996 461 E HA 0.180 4.530 4.350 0.000 0.000 0.280 461 E C 0.919 177.529 176.600 0.018 0.000 1.092 461 E CA 0.042 56.467 56.400 0.042 0.000 0.862 461 E CB 0.979 30.691 29.700 0.021 0.000 1.066 461 E HN 0.929 nan 8.360 nan 0.000 0.396 462 G N 3.087 111.900 108.800 0.022 0.000 2.719 462 G HA2 -0.387 3.574 3.960 0.000 0.000 0.219 462 G HA3 -0.387 3.574 3.960 0.000 0.000 0.219 462 G C 1.557 176.454 174.900 -0.005 0.000 1.234 462 G CA 1.260 46.364 45.100 0.006 0.000 0.788 462 G HN 0.501 nan 8.290 nan 0.000 0.619 463 S N -0.086 115.615 115.700 0.003 0.000 2.374 463 S HA -0.145 4.326 4.470 0.000 0.000 0.227 463 S C 2.462 177.063 174.600 0.002 0.000 1.037 463 S CA 1.265 59.468 58.200 0.003 0.000 1.024 463 S CB -0.454 62.749 63.200 0.005 0.000 0.861 463 S HN 0.218 nan 8.310 nan 0.000 0.456 464 V N 2.302 122.215 119.914 -0.001 0.000 2.220 464 V HA -0.224 3.896 4.120 0.000 0.000 0.246 464 V C 2.145 178.242 176.094 0.006 0.000 1.049 464 V CA 1.934 64.234 62.300 -0.001 0.000 1.003 464 V CB -0.694 31.130 31.823 0.001 0.000 0.634 464 V HN 0.441 nan 8.190 nan 0.000 0.444 465 I N -0.283 120.270 120.570 -0.029 0.000 2.151 465 I HA -0.273 3.897 4.170 0.000 0.000 0.243 465 I C 2.382 178.534 176.117 0.058 0.000 1.080 465 I CA 1.599 62.883 61.300 -0.026 0.000 1.339 465 I CB -0.533 37.232 38.000 -0.391 0.000 1.039 465 I HN 0.165 nan 8.210 nan 0.000 0.409 466 V N 0.331 120.251 119.914 0.009 0.000 2.453 466 V HA -0.294 3.826 4.120 0.000 0.000 0.252 466 V C 2.504 178.632 176.094 0.057 0.000 1.068 466 V CA 1.634 63.952 62.300 0.031 0.000 1.070 466 V CB -0.675 31.157 31.823 0.015 0.000 0.664 466 V HN 0.467 nan 8.190 nan 0.000 0.461 467 Q N -0.424 119.404 119.800 0.046 0.000 2.049 467 Q HA -0.214 4.126 4.340 0.000 0.000 0.198 467 Q C 2.259 178.293 176.000 0.057 0.000 0.971 467 Q CA 1.734 57.561 55.803 0.040 0.000 0.833 467 Q CB -0.427 28.322 28.738 0.017 0.000 0.896 467 Q HN 0.737 nan 8.270 nan 0.000 0.434 468 Q N 0.068 119.902 119.800 0.056 0.000 2.170 468 Q HA -0.102 4.239 4.340 0.000 0.000 0.203 468 Q C 2.057 178.175 176.000 0.196 0.000 0.976 468 Q CA 0.814 56.625 55.803 0.013 0.000 0.858 468 Q CB 0.019 28.576 28.738 -0.303 0.000 0.907 468 Q HN 0.351 nan 8.270 nan 0.000 0.433 469 I N 0.120 120.857 120.570 0.278 0.000 2.163 469 I HA -0.294 3.876 4.170 0.000 0.000 0.240 469 I C 2.004 178.255 176.117 0.223 0.000 1.081 469 I CA 0.963 62.419 61.300 0.260 0.000 1.353 469 I CB -0.195 37.886 38.000 0.135 0.000 1.054 469 I HN 0.250 nan 8.210 nan 0.000 0.407 470 L N 0.539 121.844 121.223 0.137 0.000 2.353 470 L HA -0.167 4.173 4.340 0.000 0.000 0.220 470 L C 2.611 179.538 176.870 0.095 0.000 1.133 470 L CA 0.722 55.622 54.840 0.100 0.000 0.798 470 L CB -0.590 41.508 42.059 0.064 0.000 0.922 470 L HN 0.250 nan 8.230 nan 0.000 0.445 471 A N -0.143 122.742 122.820 0.107 0.000 1.825 471 A HA -0.181 4.139 4.320 0.000 0.000 0.214 471 A C 1.349 178.970 177.584 0.061 0.000 1.206 471 A CA 0.574 52.651 52.037 0.066 0.000 0.609 471 A CB -0.396 18.631 19.000 0.044 0.000 0.851 471 A HN 0.331 nan 8.150 nan 0.000 0.445 472 E N 1.198 121.455 120.200 0.095 0.000 1.985 472 E HA 0.158 4.508 4.350 0.000 0.000 0.268 472 E C 0.132 176.765 176.600 0.054 0.000 1.219 472 E CA 0.452 56.844 56.400 -0.013 0.000 0.942 472 E CB 0.074 29.593 29.700 -0.300 0.000 1.045 472 E HN 0.475 nan 8.360 nan 0.000 0.413 473 T N 1.022 115.590 114.554 0.023 0.000 3.251 473 T HA 0.203 4.553 4.350 0.000 0.000 0.259 473 T C 0.790 175.499 174.700 0.015 0.000 0.998 473 T CA -0.429 61.693 62.100 0.037 0.000 0.905 473 T CB 0.226 69.112 68.868 0.030 0.000 1.067 473 T HN 0.276 nan 8.240 nan 0.000 0.569 474 K N 1.548 121.942 120.400 -0.010 0.000 2.029 474 K HA 0.095 4.416 4.320 0.000 0.000 0.205 474 K C 0.733 177.336 176.600 0.005 0.000 1.042 474 K CA 0.555 56.833 56.287 -0.016 0.000 0.949 474 K CB -0.049 32.423 32.500 -0.046 0.000 0.740 474 K HN 0.296 nan 8.250 nan 0.000 0.442 475 N N 1.516 120.224 118.700 0.014 0.000 2.558 475 N HA 0.109 4.849 4.740 0.000 0.000 0.242 475 N C -2.107 173.464 175.510 0.102 0.000 0.979 475 N CA -2.298 50.781 53.050 0.048 0.000 0.931 475 N CB 1.377 39.890 38.487 0.043 0.000 1.122 475 N HN -0.177 nan 8.380 nan 0.000 0.508 476 P HA -0.184 nan 4.420 nan 0.000 0.220 476 P C 0.453 177.816 177.300 0.104 0.000 1.144 476 P CA 1.036 64.190 63.100 0.091 0.000 0.800 476 P CB 0.327 32.061 31.700 0.057 0.000 0.772 477 R N -1.881 118.680 120.500 0.103 0.000 2.339 477 R HA -0.029 4.311 4.340 0.000 0.000 0.199 477 R C 0.624 177.010 176.300 0.143 0.000 1.018 477 R CA -0.118 56.037 56.100 0.092 0.000 1.036 477 R CB -0.631 29.713 30.300 0.072 0.000 0.899 477 R HN 0.228 nan 8.270 nan 0.000 0.473 478 Y N 0.860 121.190 120.300 0.050 0.000 2.436 478 Y HA 0.342 4.892 4.550 0.001 0.000 0.336 478 Y C 0.432 176.393 175.900 0.102 0.000 1.049 478 Y CA -0.184 57.967 58.100 0.085 0.000 1.294 478 Y CB 0.583 39.103 38.460 0.099 0.000 1.179 478 Y HN 0.034 nan 8.280 nan 0.000 0.520 479 G N 4.653 113.238 108.800 -0.357 0.000 2.687 479 G HA2 0.373 4.333 3.960 0.000 0.000 0.291 479 G HA3 0.373 4.333 3.960 0.000 0.000 0.291 479 G C -2.259 172.356 174.900 -0.475 0.000 1.420 479 G CA -0.919 43.973 45.100 -0.345 0.000 0.796 479 G HN 0.470 nan 8.290 nan 0.000 0.485 480 F N 1.440 120.986 119.950 -0.674 0.000 2.420 480 F HA 0.555 5.082 4.527 0.000 0.000 0.342 480 F C 0.116 175.591 175.800 -0.542 0.000 1.113 480 F CA -1.652 55.791 58.000 -0.929 0.000 1.059 480 F CB 1.791 40.126 39.000 -1.107 0.000 1.128 480 F HN 0.307 nan 8.300 nan 0.000 0.475 481 N N 5.041 123.030 118.700 -1.184 0.000 2.767 481 N HA 0.178 4.919 4.740 0.000 0.000 0.238 481 N C 0.638 175.396 175.510 -1.254 0.000 1.083 481 N CA 0.332 52.855 53.050 -0.878 0.000 0.964 481 N CB 0.931 39.095 38.487 -0.539 0.000 1.252 481 N HN 0.806 nan 8.380 nan 0.000 0.512 482 A N 2.526 124.709 122.820 -1.061 0.000 2.245 482 A HA -0.092 4.229 4.320 0.000 0.000 0.217 482 A C 1.825 179.156 177.584 -0.421 0.000 1.171 482 A CA 1.753 53.340 52.037 -0.749 0.000 0.688 482 A CB -0.215 18.632 19.000 -0.254 0.000 0.781 482 A HN 0.654 nan 8.150 nan 0.000 0.479 483 A N -1.188 121.405 122.820 -0.380 0.000 2.014 483 A HA 0.158 4.478 4.320 0.000 0.000 0.210 483 A C 2.173 179.661 177.584 -0.159 0.000 1.188 483 A CA 1.693 53.612 52.037 -0.196 0.000 0.731 483 A CB -0.375 18.532 19.000 -0.156 0.000 0.858 483 A HN 0.716 nan 8.150 nan 0.000 0.464 484 T N -5.315 109.095 114.554 -0.240 0.000 2.990 484 T HA 0.411 4.762 4.350 0.000 0.000 0.250 484 T C 1.287 175.915 174.700 -0.119 0.000 1.041 484 T CA 1.158 63.172 62.100 -0.143 0.000 1.010 484 T CB 0.223 69.009 68.868 -0.136 0.000 1.003 484 T HN 1.674 nan 8.240 nan 0.000 0.499 485 G N 1.370 109.971 108.800 -0.332 0.000 2.171 485 G HA2 -0.156 3.805 3.960 0.000 0.000 0.238 485 G HA3 -0.156 3.805 3.960 0.000 0.000 0.238 485 G C -0.458 174.465 174.900 0.039 0.000 1.039 485 G CA -0.008 44.996 45.100 -0.161 0.000 0.759 485 G HN 0.691 nan 8.290 nan 0.000 0.501 486 E N -1.078 118.992 120.200 -0.217 0.000 2.314 486 E HA 0.551 4.901 4.350 0.000 0.000 0.272 486 E C -0.752 175.840 176.600 -0.013 0.000 0.884 486 E CA -1.063 55.382 56.400 0.074 0.000 0.753 486 E CB 1.406 31.139 29.700 0.055 0.000 1.213 486 E HN 0.048 nan 8.360 nan 0.000 0.432 487 F N 1.829 121.857 119.950 0.130 0.000 2.443 487 F HA 0.277 4.804 4.527 0.000 0.000 0.353 487 F C 0.706 176.547 175.800 0.068 0.000 1.101 487 F CA -0.222 57.805 58.000 0.044 0.000 1.226 487 F CB 0.795 39.842 39.000 0.078 0.000 1.140 487 F HN 0.210 nan 8.300 nan 0.000 0.557 488 V N -0.802 119.162 119.914 0.084 0.000 3.130 488 V HA 0.473 4.593 4.120 0.000 0.000 0.308 488 V C -1.187 174.992 176.094 0.142 0.000 1.413 488 V CA -1.149 61.233 62.300 0.137 0.000 1.053 488 V CB 1.801 33.634 31.823 0.017 0.000 1.075 488 V HN 0.570 nan 8.190 nan 0.000 0.465 489 D N 1.332 121.810 120.400 0.130 0.000 2.339 489 D HA 0.223 4.863 4.640 0.000 0.000 0.241 489 D C 1.109 177.429 176.300 0.033 0.000 1.183 489 D CA -0.420 53.648 54.000 0.113 0.000 0.859 489 D CB 1.477 42.332 40.800 0.092 0.000 1.067 489 D HN 0.528 nan 8.370 nan 0.000 0.484 490 M N 3.219 122.823 119.600 0.006 0.000 2.082 490 M HA -0.173 4.307 4.480 0.000 0.000 0.258 490 M C 2.062 178.348 176.300 -0.023 0.000 1.069 490 M CA 1.100 56.378 55.300 -0.036 0.000 1.102 490 M CB -0.930 31.642 32.600 -0.046 0.000 1.336 490 M HN 0.327 nan 8.290 nan 0.000 0.404 491 V N 0.114 120.027 119.914 -0.003 0.000 2.261 491 V HA -0.259 3.862 4.120 0.000 0.000 0.246 491 V C 2.392 178.484 176.094 -0.003 0.000 1.047 491 V CA 2.153 64.451 62.300 -0.003 0.000 1.015 491 V CB -0.859 30.969 31.823 0.008 0.000 0.642 491 V HN 0.524 nan 8.190 nan 0.000 0.446 492 E N 0.223 120.427 120.200 0.007 0.000 2.209 492 E HA -0.225 4.125 4.350 0.000 0.000 0.196 492 E C 2.029 178.626 176.600 -0.005 0.000 0.993 492 E CA 1.294 57.697 56.400 0.006 0.000 0.819 492 E CB -0.156 29.555 29.700 0.018 0.000 0.745 492 E HN 0.590 nan 8.360 nan 0.000 0.477 493 A N -0.045 122.766 122.820 -0.015 0.000 2.167 493 A HA 0.183 4.503 4.320 0.000 0.000 0.214 493 A C 1.750 179.309 177.584 -0.041 0.000 1.151 493 A CA 1.016 53.034 52.037 -0.033 0.000 0.735 493 A CB -0.291 18.676 19.000 -0.055 0.000 0.802 493 A HN 0.471 nan 8.150 nan 0.000 0.467 494 G N -1.023 107.756 108.800 -0.034 0.000 2.132 494 G HA2 -0.199 3.761 3.960 0.000 0.000 0.234 494 G HA3 -0.199 3.761 3.960 0.000 0.000 0.234 494 G C 0.068 174.940 174.900 -0.047 0.000 0.989 494 G CA 0.191 45.270 45.100 -0.035 0.000 0.676 494 G HN 0.502 nan 8.290 nan 0.000 0.522 495 I N 1.600 122.137 120.570 -0.056 0.000 2.317 495 I HA 0.421 4.591 4.170 0.000 0.000 0.286 495 I C 0.653 176.739 176.117 -0.053 0.000 1.119 495 I CA -0.867 60.392 61.300 -0.068 0.000 1.228 495 I CB 0.651 38.592 38.000 -0.099 0.000 1.476 495 I HN 0.165 nan 8.210 nan 0.000 0.514 496 V N 0.619 120.508 119.914 -0.042 0.000 2.960 496 V HA 0.700 4.820 4.120 0.000 0.000 0.315 496 V C -0.868 175.208 176.094 -0.030 0.000 1.087 496 V CA -0.677 61.605 62.300 -0.031 0.000 0.982 496 V CB 2.652 34.462 31.823 -0.022 0.000 1.039 496 V HN 0.230 nan 8.190 nan 0.000 0.437 497 D N 1.664 122.050 120.400 -0.023 0.000 2.738 497 D HA 0.481 5.121 4.640 0.000 0.000 0.237 497 D C -3.027 173.265 176.300 -0.014 0.000 1.123 497 D CA -1.333 52.654 54.000 -0.021 0.000 0.856 497 D CB 2.611 43.399 40.800 -0.020 0.000 1.552 497 D HN 0.476 nan 8.370 nan 0.000 0.480 498 P HA 0.036 nan 4.420 nan 0.000 0.264 498 P C 0.530 177.826 177.300 -0.006 0.000 1.229 498 P CA -0.039 63.056 63.100 -0.009 0.000 0.780 498 P CB 0.593 32.287 31.700 -0.009 0.000 0.808 499 A N 4.953 127.770 122.820 -0.004 0.000 2.042 499 A HA -0.257 4.063 4.320 0.000 0.000 0.222 499 A C 2.221 179.805 177.584 -0.001 0.000 1.167 499 A CA 1.724 53.760 52.037 -0.002 0.000 0.649 499 A CB -0.950 18.050 19.000 0.000 0.000 0.809 499 A HN 0.508 nan 8.150 nan 0.000 0.457 500 K N -0.073 120.326 120.400 -0.001 0.000 2.001 500 K HA -0.128 4.192 4.320 0.000 0.000 0.208 500 K C 2.052 178.652 176.600 -0.000 0.000 1.048 500 K CA 1.894 58.181 56.287 -0.000 0.000 0.932 500 K CB -0.470 32.030 32.500 -0.000 0.000 0.715 500 K HN 0.468 nan 8.250 nan 0.000 0.437 501 V N -0.676 119.237 119.914 -0.002 0.000 2.255 501 V HA -0.244 3.876 4.120 0.000 0.000 0.247 501 V C 2.031 178.125 176.094 -0.001 0.000 1.051 501 V CA 2.407 64.707 62.300 -0.001 0.000 1.018 501 V CB -1.470 30.351 31.823 -0.004 0.000 0.641 501 V HN 0.284 nan 8.190 nan 0.000 0.445 502 T N 0.484 115.037 114.554 -0.002 0.000 2.570 502 T HA -0.296 4.054 4.350 0.000 0.000 0.266 502 T C 2.015 176.716 174.700 0.001 0.000 1.071 502 T CA 2.782 64.882 62.100 -0.001 0.000 1.172 502 T CB -0.500 68.367 68.868 -0.002 0.000 0.864 502 T HN 0.623 nan 8.240 nan 0.000 0.421 503 R N 0.653 121.154 120.500 0.002 0.000 2.119 503 R HA -0.151 4.190 4.340 0.000 0.000 0.246 503 R C 2.579 178.881 176.300 0.003 0.000 1.146 503 R CA 2.015 58.116 56.100 0.003 0.000 0.962 503 R CB -0.459 29.843 30.300 0.003 0.000 0.863 503 R HN 0.294 nan 8.270 nan 0.000 0.442 504 S N 0.483 116.185 115.700 0.003 0.000 2.344 504 S HA -0.149 4.321 4.470 0.000 0.000 0.217 504 S C 2.067 176.669 174.600 0.004 0.000 1.033 504 S CA 1.201 59.403 58.200 0.004 0.000 1.017 504 S CB -0.512 62.691 63.200 0.004 0.000 0.941 504 S HN 0.599 nan 8.310 nan 0.000 0.430 505 A N 1.864 124.686 122.820 0.004 0.000 1.881 505 A HA -0.209 4.111 4.320 0.000 0.000 0.219 505 A C 2.178 179.765 177.584 0.004 0.000 1.215 505 A CA 2.132 54.171 52.037 0.004 0.000 0.648 505 A CB -1.135 17.867 19.000 0.003 0.000 0.832 505 A HN 0.441 nan 8.150 nan 0.000 0.455 506 L N -0.239 120.986 121.223 0.004 0.000 2.012 506 L HA -0.220 4.121 4.340 0.000 0.000 0.210 506 L C 2.440 179.313 176.870 0.004 0.000 1.073 506 L CA 2.606 57.448 54.840 0.004 0.000 0.748 506 L CB -1.028 41.033 42.059 0.004 0.000 0.891 506 L HN 0.565 nan 8.230 nan 0.000 0.431 507 Q N -0.635 119.168 119.800 0.004 0.000 2.124 507 Q HA -0.174 4.166 4.340 0.000 0.000 0.202 507 Q C 1.932 177.934 176.000 0.005 0.000 0.977 507 Q CA 1.559 57.365 55.803 0.005 0.000 0.850 507 Q CB -0.241 28.499 28.738 0.005 0.000 0.901 507 Q HN 0.620 nan 8.270 nan 0.000 0.429 508 N N 0.534 119.237 118.700 0.005 0.000 2.171 508 N HA -0.076 4.664 4.740 0.000 0.000 0.184 508 N C 1.706 177.219 175.510 0.004 0.000 1.021 508 N CA 1.205 54.258 53.050 0.005 0.000 0.854 508 N CB -0.330 38.160 38.487 0.005 0.000 0.994 508 N HN 0.198 nan 8.380 nan 0.000 0.426 509 A N 1.445 124.268 122.820 0.004 0.000 1.851 509 A HA -0.055 4.265 4.320 0.000 0.000 0.216 509 A C 2.317 179.903 177.584 0.004 0.000 1.195 509 A CA 2.300 54.340 52.037 0.004 0.000 0.622 509 A CB -1.098 17.905 19.000 0.004 0.000 0.831 509 A HN 0.315 nan 8.150 nan 0.000 0.444 510 A N -1.099 121.723 122.820 0.004 0.000 2.125 510 A HA -0.035 4.286 4.320 0.000 0.000 0.219 510 A C 2.352 179.938 177.584 0.004 0.000 1.156 510 A CA 2.046 54.086 52.037 0.004 0.000 0.671 510 A CB -0.706 18.297 19.000 0.005 0.000 0.794 510 A HN 0.569 nan 8.150 nan 0.000 0.459 511 S N -0.515 115.187 115.700 0.004 0.000 2.345 511 S HA -0.064 4.406 4.470 0.000 0.000 0.219 511 S C 1.885 176.486 174.600 0.003 0.000 1.031 511 S CA 1.216 59.418 58.200 0.004 0.000 0.984 511 S CB -0.291 62.911 63.200 0.004 0.000 0.874 511 S HN 0.393 nan 8.310 nan 0.000 0.451 512 I N 1.845 122.417 120.570 0.003 0.000 2.233 512 I HA -0.010 4.160 4.170 0.000 0.000 0.243 512 I C 2.736 178.854 176.117 0.002 0.000 1.093 512 I CA 1.358 62.659 61.300 0.002 0.000 1.380 512 I CB -2.165 35.836 38.000 0.002 0.000 1.067 512 I HN 0.437 nan 8.210 nan 0.000 0.413 513 G N 1.222 110.023 108.800 0.003 0.000 2.586 513 G HA2 -0.316 3.644 3.960 0.000 0.000 0.218 513 G HA3 -0.316 3.644 3.960 0.000 0.000 0.218 513 G C 1.864 176.766 174.900 0.003 0.000 1.216 513 G CA 1.543 46.645 45.100 0.003 0.000 0.786 513 G HN 0.483 nan 8.290 nan 0.000 0.583 514 A N 0.283 123.105 122.820 0.004 0.000 1.948 514 A HA -0.023 4.297 4.320 0.000 0.000 0.220 514 A C 2.431 180.017 177.584 0.003 0.000 1.177 514 A CA 1.601 53.641 52.037 0.004 0.000 0.636 514 A CB -0.417 18.585 19.000 0.004 0.000 0.815 514 A HN 0.321 nan 8.150 nan 0.000 0.449 515 L N -0.227 120.998 121.223 0.002 0.000 1.989 515 L HA -0.214 4.126 4.340 0.000 0.000 0.211 515 L C 2.583 179.453 176.870 0.000 0.000 1.071 515 L CA 2.005 56.846 54.840 0.001 0.000 0.749 515 L CB -1.285 40.774 42.059 -0.000 0.000 0.890 515 L HN 0.450 nan 8.230 nan 0.000 0.431 516 I N -0.069 120.501 120.570 0.000 0.000 2.113 516 I HA -0.385 3.785 4.170 0.000 0.000 0.242 516 I C 2.414 178.533 176.117 0.002 0.000 1.064 516 I CA 1.319 62.619 61.300 -0.000 0.000 1.320 516 I CB -0.425 37.575 38.000 0.001 0.000 1.028 516 I HN 0.264 nan 8.210 nan 0.000 0.406 517 L N 0.474 121.700 121.223 0.004 0.000 2.450 517 L HA -0.181 4.159 4.340 0.000 0.000 0.225 517 L C 2.198 179.072 176.870 0.007 0.000 1.145 517 L CA 1.624 56.468 54.840 0.006 0.000 0.801 517 L CB -1.346 40.717 42.059 0.007 0.000 0.924 517 L HN 0.499 nan 8.230 nan 0.000 0.447 518 T N -5.560 108.997 114.554 0.005 0.000 3.105 518 T HA 0.075 4.425 4.350 0.000 0.000 0.253 518 T C 0.771 175.473 174.700 0.004 0.000 1.047 518 T CA -0.296 61.808 62.100 0.006 0.000 0.944 518 T CB -0.322 68.549 68.868 0.004 0.000 1.016 518 T HN 0.051 nan 8.240 nan 0.000 0.544 519 T N 2.744 117.298 114.554 0.001 0.000 2.901 519 T HA 0.301 4.651 4.350 0.000 0.000 0.301 519 T C 0.626 175.329 174.700 0.004 0.000 1.012 519 T CA -0.107 61.989 62.100 -0.007 0.000 1.135 519 T CB 1.312 70.173 68.868 -0.011 0.000 0.936 519 T HN 0.301 nan 8.240 nan 0.000 0.539 520 E N 0.454 120.653 120.200 -0.003 0.000 2.712 520 E HA 0.477 4.827 4.350 0.000 0.000 0.221 520 E C -0.288 176.312 176.600 0.001 0.000 0.943 520 E CA -0.068 56.352 56.400 0.033 0.000 1.259 520 E CB 0.673 30.407 29.700 0.057 0.000 1.167 520 E HN 0.801 nan 8.360 nan 0.000 0.569 521 A N -0.676 122.077 122.820 -0.111 0.000 2.601 521 A HA 0.729 5.049 4.320 0.000 0.000 0.291 521 A C -1.622 175.816 177.584 -0.242 0.000 1.075 521 A CA -0.434 51.405 52.037 -0.330 0.000 0.671 521 A CB 1.557 20.269 19.000 -0.480 0.000 1.277 521 A HN 0.055 nan 8.150 nan 0.000 0.417 522 V N 0.197 119.934 119.914 -0.295 0.000 2.891 522 V HA 0.525 4.645 4.120 0.000 0.000 0.304 522 V C -1.094 174.890 176.094 -0.185 0.000 1.171 522 V CA -0.518 61.678 62.300 -0.174 0.000 0.943 522 V CB 2.084 33.844 31.823 -0.105 0.000 1.037 522 V HN 0.929 nan 8.190 nan 0.000 0.427 523 V N 3.945 123.781 119.914 -0.129 0.000 2.304 523 V HA 0.848 4.968 4.120 0.000 0.000 0.278 523 V C 0.355 176.402 176.094 -0.079 0.000 1.018 523 V CA -0.045 62.190 62.300 -0.110 0.000 0.814 523 V CB 1.114 32.879 31.823 -0.096 0.000 1.021 523 V HN 1.048 nan 8.190 nan 0.000 0.440 524 A N 3.897 126.669 122.820 -0.079 0.000 2.347 524 A HA 0.887 5.207 4.320 0.000 0.000 0.301 524 A C -0.267 177.218 177.584 -0.164 0.000 1.163 524 A CA -0.722 51.263 52.037 -0.087 0.000 0.860 524 A CB 0.914 19.892 19.000 -0.037 0.000 1.367 524 A HN 0.546 nan 8.150 nan 0.000 0.461 525 E N 1.204 121.208 120.200 -0.327 0.000 2.290 525 E HA 0.121 4.471 4.350 0.000 0.000 0.277 525 E C -0.434 175.885 176.600 -0.469 0.000 1.035 525 E CA -0.096 56.029 56.400 -0.458 0.000 0.873 525 E CB 0.913 30.210 29.700 -0.672 0.000 1.029 525 E HN 0.478 nan 8.360 nan 0.000 0.419 526 K N 5.072 125.334 120.400 -0.230 0.000 2.472 526 K HA 0.042 4.362 4.320 0.000 0.000 0.280 526 K C -2.006 174.532 176.600 -0.104 0.000 1.028 526 K CA -1.134 55.079 56.287 -0.123 0.000 1.045 526 K CB 0.261 32.722 32.500 -0.065 0.000 0.902 526 K HN 0.204 nan 8.250 nan 0.000 0.478 527 P HA -0.133 nan 4.420 nan 0.000 0.263 527 P C -0.710 176.630 177.300 0.067 0.000 1.168 527 P CA 0.285 63.446 63.100 0.101 0.000 0.759 527 P CB 0.470 32.226 31.700 0.093 0.000 0.782 528 E N 0.000 120.263 120.200 0.105 0.000 2.725 528 E HA 0.000 4.350 4.350 0.000 0.000 0.291 528 E CA 0.000 56.439 56.400 0.065 0.000 0.976 528 E CB 0.000 29.739 29.700 0.065 0.000 0.812 528 E HN 0.000 nan 8.360 nan 0.000 0.440