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 2igt_1_B DATA FIRST_RESID -6 DATA SEQUENCE ENLYFQGXQR TGELPAEHVP VILESSGAGD FHLIDSGNGL KLEQYGDYRV DATA SEQUENCE VRPEAQALWR PLVPDRVWQN ADAIFTGDXX XXGXGRWRFP KEALGETWPL DATA SEQUENCE SLLGVEFLGR FTAFRHVGVF PEQIVHWEWL KNAVETADRP LKVLNLFGYT DATA SEQUENCE GVASLVAAAA GAEVTHVDAS KKAIGWAKEN QVLAGLEQAP IRWICEDAXK DATA SEQUENCE FIQREERRGS TYDIILTDPP KFGRGTHGEV WQLFDHLPLX LDICREILSP DATA SEQUENCE KALGLVLTAY SIRASFYSXH ELXRETXRGA GGVVASGELV IREAGLDGKT DATA SEQUENCE PGRVLSTSLF SRWEPK 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 -6 E HA 0.000 nan 4.350 nan 0.000 0.291 -6 E C 0.000 176.594 176.600 -0.010 0.000 1.382 -6 E CA 0.000 56.389 56.400 -0.018 0.000 0.976 -6 E CB 0.000 29.681 29.700 -0.032 0.000 0.812 -5 N N 5.134 123.834 118.700 -0.001 0.000 2.399 -5 N HA 0.175 4.915 4.740 0.000 0.000 0.259 -5 N C 0.154 175.637 175.510 -0.046 0.000 1.160 -5 N CA 0.169 53.238 53.050 0.032 0.000 0.946 -5 N CB 0.575 39.095 38.487 0.055 0.000 1.156 -5 N HN 0.622 nan 8.380 nan 0.000 0.489 -4 L N 2.979 124.119 121.223 -0.139 0.000 2.388 -4 L HA 0.131 4.471 4.340 0.000 0.000 0.209 -4 L C 0.464 177.031 176.870 -0.506 0.000 1.061 -4 L CA 0.435 55.006 54.840 -0.449 0.000 0.834 -4 L CB -0.014 41.537 42.059 -0.847 0.000 1.029 -4 L HN 0.471 nan 8.230 nan 0.000 0.473 -3 Y N -2.436 117.856 120.300 -0.013 0.000 2.500 -3 Y HA 0.245 4.795 4.550 0.000 0.000 0.246 -3 Y C 0.617 176.238 175.900 -0.465 0.000 1.146 -3 Y CA -0.646 57.300 58.100 -0.255 0.000 1.230 -3 Y CB 0.364 38.591 38.460 -0.387 0.000 1.214 -3 Y HN -0.056 nan 8.280 nan 0.000 0.526 -2 F N 0.473 120.511 119.950 0.146 0.000 2.881 -2 F HA 0.331 4.858 4.527 0.000 0.000 0.343 -2 F C 0.217 176.056 175.800 0.066 0.000 1.233 -2 F CA -0.939 57.135 58.000 0.124 0.000 1.262 -2 F CB 0.043 39.144 39.000 0.167 0.000 0.980 -2 F HN -0.167 nan 8.300 nan 0.000 0.506 -1 Q N 0.441 120.318 119.800 0.128 0.000 2.293 -1 Q HA 0.435 4.775 4.340 0.000 0.000 0.251 -1 Q C 0.934 176.975 176.000 0.067 0.000 0.930 -1 Q CA -0.309 55.540 55.803 0.077 0.000 0.893 -1 Q CB 1.299 30.052 28.738 0.025 0.000 1.215 -1 Q HN 0.456 nan 8.270 nan 0.000 0.425 3 R N 0.526 121.015 120.500 -0.019 0.000 2.854 3 R HA 0.844 5.184 4.340 0.000 0.000 0.271 3 R C -0.545 175.745 176.300 -0.017 0.000 0.994 3 R CA -0.626 55.461 56.100 -0.023 0.000 0.945 3 R CB 1.806 32.086 30.300 -0.033 0.000 1.194 3 R HN 0.849 nan 8.270 nan 0.000 0.476 4 T N -2.543 112.001 114.554 -0.015 0.000 2.942 4 T HA 0.820 5.170 4.350 0.000 0.000 0.289 4 T C 0.444 175.140 174.700 -0.007 0.000 1.044 4 T CA -0.063 62.032 62.100 -0.009 0.000 1.023 4 T CB 2.234 71.099 68.868 -0.006 0.000 1.123 4 T HN 0.873 nan 8.240 nan 0.000 0.512 5 G N 0.953 109.753 108.800 -0.001 0.000 2.498 5 G HA2 0.135 4.095 3.960 0.000 0.000 0.651 5 G HA3 0.135 4.095 3.960 0.000 0.000 0.651 5 G C -0.777 174.128 174.900 0.008 0.000 1.284 5 G CA -0.345 44.758 45.100 0.006 0.000 0.950 5 G HN 1.203 nan 8.290 nan 0.000 0.511 6 E N -0.424 119.786 120.200 0.016 0.000 2.283 6 E HA 0.639 4.989 4.350 0.000 0.000 0.267 6 E C 0.214 176.827 176.600 0.022 0.000 1.045 6 E CA -0.986 55.425 56.400 0.019 0.000 0.884 6 E CB 1.372 31.087 29.700 0.025 0.000 1.106 6 E HN 0.583 nan 8.360 nan 0.000 0.408 7 L N 2.045 123.279 121.223 0.019 0.000 2.456 7 L HA 0.209 4.549 4.340 0.000 0.000 0.272 7 L C -1.860 175.036 176.870 0.043 0.000 1.189 7 L CA -1.902 52.949 54.840 0.019 0.000 0.846 7 L CB 0.027 42.092 42.059 0.010 0.000 1.111 7 L HN 0.448 nan 8.230 nan 0.000 0.475 8 P HA 0.012 nan 4.420 nan 0.000 0.270 8 P C -0.517 176.815 177.300 0.054 0.000 1.227 8 P CA -0.362 62.800 63.100 0.104 0.000 0.788 8 P CB 0.404 32.229 31.700 0.209 0.000 0.926 9 A N 1.648 124.483 122.820 0.026 0.000 2.475 9 A HA 0.239 4.559 4.320 0.000 0.000 0.239 9 A C 0.409 177.962 177.584 -0.051 0.000 1.087 9 A CA 0.121 52.147 52.037 -0.019 0.000 0.779 9 A CB -0.422 18.542 19.000 -0.061 0.000 1.036 9 A HN 0.662 nan 8.150 nan 0.000 0.506 10 E N -0.015 120.159 120.200 -0.042 0.000 2.314 10 E HA 0.618 4.968 4.350 0.000 0.000 0.272 10 E C -1.580 175.008 176.600 -0.020 0.000 0.884 10 E CA -0.730 55.697 56.400 0.043 0.000 0.753 10 E CB 1.316 31.188 29.700 0.286 0.000 1.213 10 E HN 0.742 nan 8.360 nan 0.000 0.432 11 H N 0.907 120.029 119.070 0.086 0.000 2.708 11 H HA 0.617 5.173 4.556 0.000 0.000 0.320 11 H C -1.360 173.898 175.328 -0.117 0.000 0.991 11 H CA -1.220 54.828 56.048 0.000 0.000 1.243 11 H CB 2.100 31.867 29.762 0.007 0.000 1.446 11 H HN 0.312 nan 8.280 nan 0.000 0.502 12 V N 4.626 124.506 119.914 -0.056 0.000 2.950 12 V HA 0.294 4.414 4.120 0.000 0.000 0.295 12 V C -2.460 173.556 176.094 -0.130 0.000 1.297 12 V CA -1.502 60.630 62.300 -0.279 0.000 0.962 12 V CB 2.230 33.655 31.823 -0.663 0.000 1.081 12 V HN 0.618 nan 8.190 nan 0.000 0.432 13 P HA 0.467 nan 4.420 nan 0.000 0.275 13 P C -1.197 175.894 177.300 -0.347 0.000 1.227 13 P CA -0.158 62.631 63.100 -0.519 0.000 0.781 13 P CB 1.141 32.502 31.700 -0.565 0.000 0.906 14 V N 4.222 123.911 119.914 -0.375 0.000 2.409 14 V HA 0.273 4.393 4.120 0.000 0.000 0.291 14 V C -0.039 176.007 176.094 -0.080 0.000 1.020 14 V CA -0.637 61.590 62.300 -0.123 0.000 0.848 14 V CB 1.449 33.319 31.823 0.079 0.000 0.990 14 V HN 0.388 nan 8.190 nan 0.000 0.430 15 I N 6.256 126.778 120.570 -0.081 0.000 2.312 15 I HA 0.397 4.567 4.170 0.000 0.000 0.290 15 I C -0.082 176.010 176.117 -0.041 0.000 1.008 15 I CA -0.429 60.837 61.300 -0.057 0.000 1.226 15 I CB 1.266 39.214 38.000 -0.086 0.000 1.371 15 I HN 0.395 nan 8.210 nan 0.000 0.468 16 L N 6.374 127.567 121.223 -0.050 0.000 2.275 16 L HA 0.394 4.734 4.340 0.000 0.000 0.288 16 L C 0.500 177.284 176.870 -0.144 0.000 1.046 16 L CA -0.342 54.388 54.840 -0.184 0.000 0.805 16 L CB 0.996 42.783 42.059 -0.452 0.000 1.193 16 L HN 0.510 nan 8.230 nan 0.000 0.426 17 E N 2.063 122.192 120.200 -0.119 0.000 2.133 17 E HA 0.197 4.547 4.350 0.000 0.000 0.274 17 E C -0.465 176.085 176.600 -0.084 0.000 0.930 17 E CA -0.473 55.882 56.400 -0.076 0.000 0.770 17 E CB 1.705 31.375 29.700 -0.050 0.000 1.104 17 E HN 0.633 nan 8.360 nan 0.000 0.403 18 S N 2.127 117.789 115.700 -0.064 0.000 2.537 18 S HA -0.021 4.449 4.470 0.000 0.000 0.286 18 S C 1.189 175.780 174.600 -0.016 0.000 1.299 18 S CA -0.314 57.850 58.200 -0.060 0.000 1.067 18 S CB 1.167 64.356 63.200 -0.019 0.000 0.864 18 S HN 0.516 nan 8.310 nan 0.000 0.494 19 S N 3.385 119.069 115.700 -0.027 0.000 2.441 19 S HA -0.127 4.343 4.470 0.000 0.000 0.249 19 S C 1.430 176.045 174.600 0.026 0.000 1.097 19 S CA 1.371 59.571 58.200 -0.000 0.000 1.080 19 S CB -1.587 61.622 63.200 0.015 0.000 0.914 19 S HN 2.154 nan 8.310 nan 0.000 0.464 20 G N 1.282 110.120 108.800 0.065 0.000 2.387 20 G HA2 0.124 4.084 3.960 0.000 0.000 0.270 20 G HA3 0.124 4.084 3.960 0.000 0.000 0.270 20 G C -0.310 174.635 174.900 0.075 0.000 0.957 20 G CA 0.105 45.261 45.100 0.093 0.000 1.352 20 G HN 1.194 nan 8.290 nan 0.000 0.457 21 A N 0.737 123.632 122.820 0.125 0.000 2.455 21 A HA 1.120 5.440 4.320 0.000 0.000 0.300 21 A C 1.113 178.787 177.584 0.150 0.000 1.040 21 A CA 1.169 53.269 52.037 0.105 0.000 0.697 21 A CB 1.390 20.443 19.000 0.089 0.000 1.265 21 A HN 2.664 nan 8.150 nan 0.000 0.407 22 G N 1.547 110.415 108.800 0.114 0.000 2.833 22 G HA2 -0.226 3.734 3.960 0.000 0.000 0.260 22 G HA3 -0.226 3.734 3.960 0.000 0.000 0.260 22 G C 0.327 175.309 174.900 0.136 0.000 1.412 22 G CA 0.730 45.903 45.100 0.122 0.000 0.986 22 G HN 0.726 nan 8.290 nan 0.000 0.556 23 D N 0.528 121.031 120.400 0.171 0.000 2.339 23 D HA 0.402 5.042 4.640 0.000 0.000 0.217 23 D C 0.083 176.507 176.300 0.206 0.000 1.050 23 D CA 0.411 54.508 54.000 0.161 0.000 0.856 23 D CB 0.267 41.142 40.800 0.125 0.000 0.922 23 D HN 0.215 nan 8.370 nan 0.000 0.518 24 F N 2.020 122.002 119.950 0.052 0.000 2.540 24 F HA 0.356 4.883 4.527 0.000 0.000 0.317 24 F C -0.806 175.001 175.800 0.012 0.000 1.104 24 F CA -0.776 57.163 58.000 -0.102 0.000 0.913 24 F CB 1.236 40.167 39.000 -0.115 0.000 1.170 24 F HN -0.062 nan 8.300 nan 0.000 0.450 25 H N 4.804 123.122 119.070 -1.254 0.000 3.037 25 H HA 0.420 4.976 4.556 0.000 0.000 0.355 25 H C -2.094 172.452 175.328 -1.304 0.000 1.263 25 H CA -1.248 54.049 56.048 -1.253 0.000 1.129 25 H CB 1.570 31.043 29.762 -0.481 0.000 1.861 25 H HN 0.775 nan 8.280 nan 0.000 0.546 26 L N 2.486 123.274 121.223 -0.726 0.000 2.315 26 L HA 0.231 4.572 4.340 0.000 0.000 0.283 26 L C 0.449 177.258 176.870 -0.102 0.000 1.089 26 L CA 0.020 54.691 54.840 -0.281 0.000 0.833 26 L CB -0.209 41.865 42.059 0.024 0.000 1.170 26 L HN 0.748 nan 8.230 nan 0.000 0.442 27 I N 2.567 123.054 120.570 -0.138 0.000 2.339 27 I HA 0.106 4.276 4.170 0.000 0.000 0.245 27 I C 0.240 176.356 176.117 -0.001 0.000 1.096 27 I CA 0.753 62.020 61.300 -0.054 0.000 1.408 27 I CB 0.100 38.004 38.000 -0.160 0.000 1.092 27 I HN 0.701 nan 8.210 nan 0.000 0.423 28 D N -1.124 119.273 120.400 -0.006 0.000 2.671 28 D HA 0.440 5.080 4.640 0.000 0.000 0.273 28 D C -1.405 175.104 176.300 0.347 0.000 1.264 28 D CA -0.204 53.908 54.000 0.187 0.000 0.788 28 D CB 1.678 42.613 40.800 0.226 0.000 1.324 28 D HN 0.089 nan 8.370 nan 0.000 0.424 29 S N -0.388 115.680 115.700 0.613 0.000 2.587 29 S HA 0.934 5.404 4.470 0.000 0.000 0.269 29 S C -0.215 174.692 174.600 0.512 0.000 1.154 29 S CA -0.183 58.407 58.200 0.651 0.000 0.824 29 S CB 1.531 65.083 63.200 0.586 0.000 1.118 29 S HN 1.265 nan 8.310 nan 0.000 0.462 30 G N 0.640 109.480 108.800 0.067 0.000 2.353 30 G HA2 0.373 4.333 3.960 0.000 0.000 0.308 30 G HA3 0.373 4.333 3.960 0.000 0.000 0.308 30 G C -0.810 173.922 174.900 -0.281 0.000 1.418 30 G CA -0.260 44.677 45.100 -0.272 0.000 0.966 30 G HN 1.407 nan 8.290 nan 0.000 0.638 31 N N -0.900 117.632 118.700 -0.279 0.000 2.708 31 N HA -0.138 4.602 4.740 0.000 0.000 0.249 31 N C 1.594 176.985 175.510 -0.198 0.000 1.097 31 N CA 3.011 55.926 53.050 -0.224 0.000 0.710 31 N CB -1.119 37.225 38.487 -0.239 0.000 1.032 31 N HN 2.561 nan 8.380 nan 0.000 0.551 32 G N -1.971 106.698 108.800 -0.218 0.000 2.143 32 G HA2 -0.290 3.670 3.960 0.000 0.000 0.248 32 G HA3 -0.290 3.670 3.960 0.000 0.000 0.248 32 G C -0.078 174.789 174.900 -0.054 0.000 0.991 32 G CA 0.666 45.682 45.100 -0.140 0.000 0.689 32 G HN 0.470 nan 8.290 nan 0.000 0.522 33 L N -0.992 120.216 121.223 -0.025 0.000 2.303 33 L HA 0.835 5.175 4.340 0.000 0.000 0.256 33 L C 0.096 177.176 176.870 0.350 0.000 1.034 33 L CA -1.268 53.669 54.840 0.162 0.000 0.832 33 L CB 2.283 44.451 42.059 0.182 0.000 1.403 33 L HN 0.290 nan 8.230 nan 0.000 0.419 34 K N 0.695 121.369 120.400 0.457 0.000 2.502 34 K HA 0.722 5.042 4.320 0.000 0.000 0.257 34 K C -1.807 174.903 176.600 0.183 0.000 0.938 34 K CA -0.849 55.683 56.287 0.409 0.000 0.819 34 K CB 2.844 35.531 32.500 0.312 0.000 1.333 34 K HN 0.314 nan 8.250 nan 0.000 0.434 35 L N 1.484 122.591 121.223 -0.193 0.000 2.343 35 L HA 0.450 4.790 4.340 0.000 0.000 0.278 35 L C -1.409 175.337 176.870 -0.208 0.000 0.996 35 L CA 0.147 54.694 54.840 -0.488 0.000 0.831 35 L CB 1.425 42.695 42.059 -1.315 0.000 1.232 35 L HN 0.807 nan 8.230 nan 0.000 0.413 36 E N 2.721 122.892 120.200 -0.049 0.000 2.288 36 E HA 0.483 4.833 4.350 0.000 0.000 0.268 36 E C -1.518 175.004 176.600 -0.131 0.000 0.885 36 E CA -0.933 55.426 56.400 -0.068 0.000 0.767 36 E CB 2.176 32.070 29.700 0.324 0.000 1.220 36 E HN 0.448 nan 8.360 nan 0.000 0.427 37 Q N 1.686 121.196 119.800 -0.484 0.000 2.314 37 Q HA 0.285 4.625 4.340 0.000 0.000 0.259 37 Q C -1.913 173.931 176.000 -0.260 0.000 0.951 37 Q CA -0.290 55.295 55.803 -0.363 0.000 0.909 37 Q CB 0.617 28.931 28.738 -0.705 0.000 1.236 37 Q HN 0.474 nan 8.270 nan 0.000 0.444 38 Y N 3.883 124.313 120.300 0.216 0.000 2.686 38 Y HA 0.486 5.036 4.550 0.000 0.000 0.331 38 Y C 1.098 177.203 175.900 0.342 0.000 0.996 38 Y CA 0.228 58.565 58.100 0.395 0.000 1.293 38 Y CB 1.237 40.076 38.460 0.631 0.000 1.092 38 Y HN 0.944 nan 8.280 nan 0.000 0.524 39 G N 2.217 111.180 108.800 0.272 0.000 2.629 39 G HA2 -0.413 3.547 3.960 0.000 0.000 0.313 39 G HA3 -0.413 3.547 3.960 0.000 0.000 0.313 39 G C 0.841 175.788 174.900 0.078 0.000 1.217 39 G CA 0.853 46.043 45.100 0.151 0.000 0.994 39 G HN 0.519 nan 8.290 nan 0.000 0.549 40 D N 0.001 120.382 120.400 -0.032 0.000 2.348 40 D HA 0.143 4.783 4.640 0.000 0.000 0.216 40 D C 0.405 176.699 176.300 -0.011 0.000 0.970 40 D CA 0.908 54.848 54.000 -0.099 0.000 0.889 40 D CB -0.014 40.657 40.800 -0.216 0.000 0.912 40 D HN 0.264 nan 8.370 nan 0.000 0.524 41 Y N 0.206 120.455 120.300 -0.084 0.000 2.360 41 Y HA 0.469 5.019 4.550 0.000 0.000 0.337 41 Y C 0.515 176.408 175.900 -0.012 0.000 1.039 41 Y CA -1.336 56.665 58.100 -0.164 0.000 1.109 41 Y CB 0.942 39.080 38.460 -0.537 0.000 1.201 41 Y HN -0.386 nan 8.280 nan 0.000 0.458 42 R N 2.136 122.731 120.500 0.159 0.000 2.294 42 R HA 0.687 5.027 4.340 0.000 0.000 0.319 42 R C -1.253 175.133 176.300 0.142 0.000 0.984 42 R CA -0.601 55.560 56.100 0.103 0.000 0.861 42 R CB 0.821 31.134 30.300 0.023 0.000 1.104 42 R HN 0.548 nan 8.270 nan 0.000 0.451 43 V N 1.122 121.173 119.914 0.228 0.000 2.823 43 V HA 0.738 4.858 4.120 0.000 0.000 0.312 43 V C -0.878 175.388 176.094 0.286 0.000 1.072 43 V CA -0.846 61.656 62.300 0.337 0.000 0.937 43 V CB 2.265 34.404 31.823 0.526 0.000 1.013 43 V HN 0.380 nan 8.190 nan 0.000 0.430 44 V N 4.536 124.645 119.914 0.325 0.000 2.448 44 V HA 0.699 4.819 4.120 0.000 0.000 0.295 44 V C 0.066 176.350 176.094 0.318 0.000 1.025 44 V CA -0.477 61.997 62.300 0.290 0.000 0.859 44 V CB 1.611 33.618 31.823 0.308 0.000 0.988 44 V HN 1.039 nan 8.190 nan 0.000 0.431 45 R N 4.559 125.242 120.500 0.306 0.000 2.771 45 R HA 0.539 4.879 4.340 0.000 0.000 0.274 45 R C -2.934 173.497 176.300 0.217 0.000 0.987 45 R CA -2.042 54.202 56.100 0.241 0.000 0.908 45 R CB 2.502 32.946 30.300 0.240 0.000 1.213 45 R HN 0.365 nan 8.270 nan 0.000 0.468 46 P HA 0.054 nan 4.420 nan 0.000 0.269 46 P C -0.843 176.533 177.300 0.127 0.000 1.209 46 P CA 0.082 63.262 63.100 0.133 0.000 0.776 46 P CB 0.682 32.454 31.700 0.120 0.000 0.876 47 E N 1.484 121.742 120.200 0.096 0.000 2.649 47 E HA 0.456 4.806 4.350 0.000 0.000 0.310 47 E C 0.447 177.052 176.600 0.008 0.000 1.036 47 E CA -0.592 55.860 56.400 0.087 0.000 0.772 47 E CB 0.108 29.885 29.700 0.129 0.000 1.513 47 E HN 0.259 nan 8.360 nan 0.000 0.384 48 A N 3.785 126.617 122.820 0.019 0.000 1.972 48 A HA -0.233 4.087 4.320 0.000 0.000 0.219 48 A C 1.751 179.296 177.584 -0.064 0.000 1.169 48 A CA 1.818 53.845 52.037 -0.017 0.000 0.635 48 A CB -0.404 18.605 19.000 0.015 0.000 0.810 48 A HN 0.678 nan 8.150 nan 0.000 0.446 49 Q N -0.650 119.126 119.800 -0.040 0.000 2.472 49 Q HA 0.337 4.677 4.340 0.000 0.000 0.208 49 Q C 0.872 176.703 176.000 -0.281 0.000 0.958 49 Q CA 0.595 56.364 55.803 -0.057 0.000 0.932 49 Q CB -0.349 28.423 28.738 0.056 0.000 1.007 49 Q HN 0.433 nan 8.270 nan 0.000 0.508 50 A N 1.580 124.120 122.820 -0.466 0.000 3.026 50 A HA 0.229 4.549 4.320 0.000 0.000 0.272 50 A C 0.859 177.770 177.584 -1.122 0.000 1.782 50 A CA -0.251 51.050 52.037 -1.226 0.000 1.451 50 A CB -0.596 18.014 19.000 -0.650 0.000 1.081 50 A HN 0.502 nan 8.150 nan 0.000 0.611 51 L N -0.305 120.406 121.223 -0.853 0.000 2.313 51 L HA 0.008 4.348 4.340 0.000 0.000 0.214 51 L C 1.526 178.281 176.870 -0.193 0.000 1.119 51 L CA -0.014 54.628 54.840 -0.329 0.000 0.809 51 L CB -0.319 41.701 42.059 -0.066 0.000 0.933 51 L HN 0.973 nan 8.230 nan 0.000 0.449 52 W N 0.051 121.377 121.300 0.043 0.000 1.777 52 W HA 0.333 4.993 4.660 0.000 0.000 0.376 52 W C 0.413 176.948 176.519 0.026 0.000 1.628 52 W CA -1.188 56.179 57.345 0.037 0.000 1.760 52 W CB -0.074 29.416 29.460 0.050 0.000 1.367 52 W HN -0.290 nan 8.180 nan 0.000 0.722 53 R N 1.780 122.481 120.500 0.334 0.000 2.438 53 R HA 0.237 4.577 4.340 0.000 0.000 0.287 53 R C -2.080 174.391 176.300 0.284 0.000 1.077 53 R CA -1.551 54.664 56.100 0.192 0.000 1.034 53 R CB 0.111 30.498 30.300 0.144 0.000 0.993 53 R HN 0.123 nan 8.270 nan 0.000 0.459 54 P HA 0.009 nan 4.420 nan 0.000 0.271 54 P C 0.042 177.479 177.300 0.228 0.000 1.218 54 P CA 0.121 63.366 63.100 0.242 0.000 0.780 54 P CB 0.625 32.341 31.700 0.027 0.000 0.901 55 L N 0.912 122.303 121.223 0.278 0.000 2.590 55 L HA 0.154 4.494 4.340 0.000 0.000 0.227 55 L C 0.411 177.401 176.870 0.200 0.000 1.099 55 L CA 0.120 55.076 54.840 0.194 0.000 0.872 55 L CB 0.264 42.413 42.059 0.151 0.000 1.088 55 L HN 0.115 nan 8.230 nan 0.000 0.479 56 V N 1.040 121.138 119.914 0.305 0.000 2.439 56 V HA 0.284 4.404 4.120 0.000 0.000 0.282 56 V C -2.054 174.247 176.094 0.346 0.000 1.039 56 V CA -1.689 60.786 62.300 0.292 0.000 0.913 56 V CB 1.192 33.171 31.823 0.260 0.000 0.983 56 V HN -0.042 nan 8.190 nan 0.000 0.460 57 P HA 0.024 nan 4.420 nan 0.000 0.266 57 P C 0.392 177.841 177.300 0.248 0.000 1.193 57 P CA 0.100 63.308 63.100 0.179 0.000 0.770 57 P CB 0.519 32.292 31.700 0.123 0.000 0.836 58 D N 2.182 122.660 120.400 0.129 0.000 2.149 58 D HA -0.191 4.449 4.640 0.000 0.000 0.194 58 D C 1.837 178.248 176.300 0.184 0.000 1.001 58 D CA 1.499 55.557 54.000 0.097 0.000 0.849 58 D CB -0.146 40.659 40.800 0.007 0.000 0.939 58 D HN 0.407 nan 8.370 nan 0.000 0.449 59 R N 0.353 120.937 120.500 0.140 0.000 2.091 59 R HA -0.092 4.248 4.340 0.000 0.000 0.238 59 R C 2.449 178.839 176.300 0.150 0.000 1.136 59 R CA 0.787 56.958 56.100 0.120 0.000 0.959 59 R CB -0.596 29.753 30.300 0.082 0.000 0.856 59 R HN 0.154 nan 8.270 nan 0.000 0.437 60 V N -0.199 119.821 119.914 0.176 0.000 2.287 60 V HA -0.249 3.871 4.120 0.000 0.000 0.248 60 V C 1.935 178.116 176.094 0.145 0.000 1.053 60 V CA 1.828 64.208 62.300 0.132 0.000 1.027 60 V CB -0.659 31.226 31.823 0.103 0.000 0.646 60 V HN 0.379 nan 8.190 nan 0.000 0.447 61 W N 0.241 121.568 121.300 0.045 0.000 2.338 61 W HA -0.171 4.489 4.660 0.000 0.000 0.304 61 W C 2.670 179.213 176.519 0.041 0.000 1.212 61 W CA 1.545 58.920 57.345 0.050 0.000 1.264 61 W CB -0.570 28.917 29.460 0.046 0.000 1.142 61 W HN 0.236 nan 8.180 nan 0.000 0.512 62 Q N -0.625 119.334 119.800 0.266 0.000 2.436 62 Q HA -0.098 4.242 4.340 0.000 0.000 0.209 62 Q C 1.100 177.161 176.000 0.102 0.000 0.965 62 Q CA 0.914 56.807 55.803 0.151 0.000 0.910 62 Q CB -0.449 28.353 28.738 0.107 0.000 0.980 62 Q HN 0.508 nan 8.270 nan 0.000 0.491 63 N N 0.024 118.782 118.700 0.096 0.000 2.336 63 N HA 0.154 4.894 4.740 0.000 0.000 0.189 63 N C -0.277 175.261 175.510 0.046 0.000 1.113 63 N CA -0.425 52.660 53.050 0.059 0.000 0.858 63 N CB 0.429 38.946 38.487 0.050 0.000 0.970 63 N HN 0.103 nan 8.380 nan 0.000 0.471 64 A N 0.749 123.605 122.820 0.059 0.000 2.507 64 A HA -0.026 4.294 4.320 0.000 0.000 0.235 64 A C 0.803 178.410 177.584 0.038 0.000 1.070 64 A CA 0.077 52.143 52.037 0.049 0.000 0.768 64 A CB 0.347 19.395 19.000 0.081 0.000 1.011 64 A HN 0.190 nan 8.150 nan 0.000 0.502 65 D N 0.358 120.765 120.400 0.010 0.000 2.194 65 D HA 0.194 4.834 4.640 0.000 0.000 0.204 65 D C 0.612 176.890 176.300 -0.037 0.000 0.964 65 D CA 1.885 55.842 54.000 -0.073 0.000 0.846 65 D CB 0.115 40.791 40.800 -0.207 0.000 0.962 65 D HN 0.702 nan 8.370 nan 0.000 0.490 66 A N 0.375 123.225 122.820 0.050 0.000 2.488 66 A HA 0.615 4.935 4.320 0.000 0.000 0.295 66 A C -1.205 176.581 177.584 0.336 0.000 1.045 66 A CA -0.560 51.569 52.037 0.154 0.000 0.703 66 A CB 1.351 20.332 19.000 -0.032 0.000 1.271 66 A HN 0.012 nan 8.150 nan 0.000 0.400 67 I N 2.027 122.755 120.570 0.264 0.000 2.447 67 I HA 0.345 4.515 4.170 0.000 0.000 0.287 67 I C -0.895 175.173 176.117 -0.081 0.000 1.023 67 I CA -0.426 60.971 61.300 0.162 0.000 1.083 67 I CB 1.840 39.865 38.000 0.042 0.000 1.245 67 I HN 0.689 nan 8.210 nan 0.000 0.434 68 F N 6.594 126.221 119.950 -0.538 0.000 2.438 68 F HA 0.503 5.030 4.527 0.000 0.000 0.356 68 F C 0.547 176.045 175.800 -0.504 0.000 1.099 68 F CA -0.042 57.337 58.000 -1.034 0.000 1.185 68 F CB 0.832 39.003 39.000 -1.382 0.000 1.115 68 F HN 0.523 nan 8.300 nan 0.000 0.526 69 T N 2.606 116.409 114.554 -1.252 0.000 2.916 69 T HA 0.922 5.272 4.350 0.000 0.000 0.292 69 T C -0.137 173.990 174.700 -0.956 0.000 1.055 69 T CA -0.116 61.499 62.100 -0.808 0.000 1.009 69 T CB 1.441 70.012 68.868 -0.496 0.000 1.118 69 T HN 1.502 nan 8.240 nan 0.000 0.497 70 G N 1.481 109.973 108.800 -0.514 0.000 2.306 70 G HA2 0.220 4.180 3.960 0.000 0.000 0.262 70 G HA3 0.220 4.180 3.960 0.000 0.000 0.262 70 G C -1.848 172.931 174.900 -0.201 0.000 1.263 70 G CA -0.217 44.667 45.100 -0.360 0.000 1.088 70 G HN 0.935 nan 8.290 nan 0.000 0.489 79 R N -0.815 119.313 120.500 -0.620 0.000 2.548 79 R HA 0.454 4.794 4.340 0.000 0.000 0.280 79 R C -1.817 174.158 176.300 -0.542 0.000 1.061 79 R CA -0.748 55.122 56.100 -0.384 0.000 0.915 79 R CB 1.490 31.619 30.300 -0.283 0.000 1.210 79 R HN 0.481 nan 8.270 nan 0.000 0.442 80 W N 3.627 124.708 121.300 -0.365 0.000 2.287 80 W HA 0.344 5.004 4.660 0.000 0.000 0.313 80 W C 0.494 176.458 176.519 -0.925 0.000 1.267 80 W CA -0.171 56.817 57.345 -0.595 0.000 1.201 80 W CB 0.940 29.958 29.460 -0.736 0.000 1.196 80 W HN 0.327 nan 8.180 nan 0.000 0.536 81 R N 2.831 123.010 120.500 -0.534 0.000 2.312 81 R HA 0.461 4.801 4.340 0.000 0.000 0.311 81 R C -1.532 174.428 176.300 -0.567 0.000 1.004 81 R CA -0.508 55.295 56.100 -0.494 0.000 0.902 81 R CB 0.261 30.410 30.300 -0.253 0.000 1.073 81 R HN 0.285 nan 8.270 nan 0.000 0.457 82 F N 7.189 127.075 119.950 -0.106 0.000 2.363 82 F HA 0.399 4.926 4.527 0.000 0.000 0.366 82 F C -1.611 174.123 175.800 -0.110 0.000 1.083 82 F CA -2.485 55.415 58.000 -0.167 0.000 1.176 82 F CB 1.690 40.550 39.000 -0.233 0.000 1.432 82 F HN 0.582 nan 8.300 nan 0.000 0.482 83 P HA -0.123 nan 4.420 nan 0.000 0.217 83 P C 1.287 178.604 177.300 0.027 0.000 1.150 83 P CA 1.532 64.649 63.100 0.028 0.000 0.832 83 P CB 0.394 32.108 31.700 0.022 0.000 0.787 84 K N -0.450 119.963 120.400 0.022 0.000 2.021 84 K HA -0.003 4.317 4.320 0.000 0.000 0.205 84 K C 0.866 177.465 176.600 -0.001 0.000 1.047 84 K CA 0.976 57.266 56.287 0.005 0.000 0.943 84 K CB 0.067 32.562 32.500 -0.008 0.000 0.725 84 K HN 0.391 nan 8.250 nan 0.000 0.439 85 E N -1.127 119.067 120.200 -0.011 0.000 2.392 85 E HA 0.409 4.759 4.350 0.000 0.000 0.281 85 E C -1.741 174.816 176.600 -0.072 0.000 1.088 85 E CA -0.975 55.410 56.400 -0.025 0.000 0.850 85 E CB 0.817 30.492 29.700 -0.040 0.000 1.267 85 E HN 0.008 nan 8.360 nan 0.000 0.438 86 A N 2.170 124.950 122.820 -0.068 0.000 2.520 86 A HA 0.386 4.706 4.320 0.000 0.000 0.245 86 A C -0.111 177.223 177.584 -0.418 0.000 1.072 86 A CA -0.023 51.926 52.037 -0.146 0.000 0.761 86 A CB -0.137 18.836 19.000 -0.044 0.000 1.004 86 A HN 0.457 nan 8.150 nan 0.000 0.499 87 L N 2.768 123.377 121.223 -1.023 0.000 2.322 87 L HA 0.538 4.878 4.340 0.000 0.000 0.279 87 L C 1.242 177.796 176.870 -0.526 0.000 1.036 87 L CA -0.745 53.562 54.840 -0.888 0.000 0.807 87 L CB 1.468 42.706 42.059 -1.369 0.000 1.226 87 L HN 0.866 nan 8.230 nan 0.000 0.433 88 G N 0.267 108.972 108.800 -0.159 0.000 2.667 88 G HA2 -0.003 3.957 3.960 0.000 0.000 0.250 88 G HA3 -0.003 3.957 3.960 0.000 0.000 0.250 88 G C 0.635 175.616 174.900 0.136 0.000 1.212 88 G CA -0.217 44.882 45.100 -0.001 0.000 0.874 88 G HN 0.885 nan 8.290 nan 0.000 0.561 89 E N -1.200 119.090 120.200 0.150 0.000 2.110 89 E HA -0.083 4.267 4.350 0.000 0.000 0.193 89 E C 1.208 177.908 176.600 0.167 0.000 0.988 89 E CA 1.443 57.964 56.400 0.202 0.000 0.804 89 E CB 0.031 29.806 29.700 0.124 0.000 0.745 89 E HN 0.558 nan 8.360 nan 0.000 0.458 90 T N -2.464 112.165 114.554 0.124 0.000 2.916 90 T HA 0.550 4.900 4.350 0.000 0.000 0.292 90 T C -1.096 173.733 174.700 0.215 0.000 1.064 90 T CA -0.849 61.271 62.100 0.033 0.000 1.011 90 T CB 1.358 70.152 68.868 -0.123 0.000 1.152 90 T HN 0.355 nan 8.240 nan 0.000 0.510 91 W N 0.139 121.285 121.300 -0.258 0.000 3.372 91 W HA 0.668 5.328 4.660 0.000 0.000 0.315 91 W C -3.282 173.046 176.519 -0.320 0.000 1.223 91 W CA -2.432 54.738 57.345 -0.292 0.000 1.202 91 W CB 0.612 29.801 29.460 -0.452 0.000 1.367 91 W HN 0.583 nan 8.180 nan 0.000 0.531 92 P HA 0.373 nan 4.420 nan 0.000 0.280 92 P C -0.959 176.074 177.300 -0.445 0.000 1.244 92 P CA 0.137 63.019 63.100 -0.362 0.000 0.784 92 P CB 2.043 33.615 31.700 -0.212 0.000 0.913 93 L N 1.294 122.099 121.223 -0.697 0.000 2.359 93 L HA 0.627 4.967 4.340 0.000 0.000 0.256 93 L C 0.092 176.492 176.870 -0.783 0.000 1.026 93 L CA -0.752 53.633 54.840 -0.757 0.000 0.828 93 L CB 2.334 43.725 42.059 -1.112 0.000 1.406 93 L HN 0.328 nan 8.230 nan 0.000 0.413 94 S N 1.378 116.846 115.700 -0.386 0.000 2.575 94 S HA 0.799 5.269 4.470 0.000 0.000 0.278 94 S C -1.432 173.276 174.600 0.180 0.000 1.139 94 S CA -0.429 57.715 58.200 -0.094 0.000 0.954 94 S CB 0.981 64.155 63.200 -0.044 0.000 1.054 94 S HN 0.463 nan 8.310 nan 0.000 0.483 95 L N 4.345 125.803 121.223 0.391 0.000 2.436 95 L HA 0.586 4.926 4.340 0.000 0.000 0.268 95 L C -0.480 176.564 176.870 0.289 0.000 0.974 95 L CA -0.980 54.100 54.840 0.401 0.000 0.826 95 L CB 1.790 44.217 42.059 0.613 0.000 1.291 95 L HN 0.785 nan 8.230 nan 0.000 0.406 96 L N 4.266 125.635 121.223 0.242 0.000 3.737 96 L HA -0.239 4.101 4.340 0.000 0.000 0.418 96 L C 0.936 177.876 176.870 0.117 0.000 1.216 96 L CA 1.524 56.477 54.840 0.190 0.000 0.915 96 L CB -1.045 41.177 42.059 0.271 0.000 1.834 96 L HN 1.087 nan 8.230 nan 0.000 0.943 97 G N -2.441 106.419 108.800 0.099 0.000 2.179 97 G HA2 -0.251 3.709 3.960 0.000 0.000 0.260 97 G HA3 -0.251 3.709 3.960 0.000 0.000 0.260 97 G C 0.251 175.181 174.900 0.049 0.000 0.977 97 G CA 0.084 45.219 45.100 0.060 0.000 0.641 97 G HN 0.873 nan 8.290 nan 0.000 0.533 98 V N 1.439 121.398 119.914 0.074 0.000 2.370 98 V HA 0.409 4.529 4.120 0.000 0.000 0.283 98 V C 0.459 176.639 176.094 0.144 0.000 1.023 98 V CA -0.795 61.545 62.300 0.067 0.000 0.857 98 V CB 1.620 33.439 31.823 -0.006 0.000 0.985 98 V HN 0.377 nan 8.190 nan 0.000 0.443 99 E N 4.764 125.003 120.200 0.065 0.000 2.354 99 E HA 0.562 4.912 4.350 0.000 0.000 0.269 99 E C -0.891 175.754 176.600 0.074 0.000 1.036 99 E CA 0.003 56.397 56.400 -0.010 0.000 0.876 99 E CB 1.249 30.911 29.700 -0.063 0.000 1.009 99 E HN 0.583 nan 8.360 nan 0.000 0.416 100 F N -0.602 119.260 119.950 -0.146 0.000 2.817 100 F HA 0.486 5.013 4.527 0.000 0.000 0.317 100 F C -1.976 173.657 175.800 -0.279 0.000 1.168 100 F CA -1.299 56.583 58.000 -0.196 0.000 0.911 100 F CB 0.770 39.650 39.000 -0.200 0.000 1.337 100 F HN 0.146 nan 8.300 nan 0.000 0.464 101 L N 2.032 123.126 121.223 -0.214 0.000 2.296 101 L HA 0.684 5.024 4.340 0.000 0.000 0.286 101 L C 0.590 177.096 176.870 -0.606 0.000 1.023 101 L CA -0.939 53.622 54.840 -0.466 0.000 0.812 101 L CB 1.454 43.299 42.059 -0.355 0.000 1.223 101 L HN 1.004 nan 8.230 nan 0.000 0.421 102 G N 2.451 110.530 108.800 -1.201 0.000 2.483 102 G HA2 0.413 4.373 3.960 0.000 0.000 0.248 102 G HA3 0.413 4.373 3.960 0.000 0.000 0.248 102 G C -0.619 173.418 174.900 -1.440 0.000 1.248 102 G CA -0.285 43.740 45.100 -1.792 0.000 0.838 102 G HN 0.650 nan 8.290 nan 0.000 0.566 103 R N 1.161 121.056 120.500 -1.009 0.000 2.533 103 R HA 0.343 4.683 4.340 0.000 0.000 0.288 103 R C -1.434 174.654 176.300 -0.354 0.000 1.039 103 R CA -0.769 54.986 56.100 -0.574 0.000 0.909 103 R CB 1.015 30.931 30.300 -0.640 0.000 1.195 103 R HN 0.337 nan 8.270 nan 0.000 0.438 104 F N 3.311 123.266 119.950 0.009 0.000 2.421 104 F HA 0.249 4.776 4.527 0.000 0.000 0.358 104 F C 1.150 177.010 175.800 0.100 0.000 1.115 104 F CA 0.029 57.942 58.000 -0.145 0.000 1.160 104 F CB 1.366 40.183 39.000 -0.305 0.000 1.123 104 F HN 0.492 nan 8.300 nan 0.000 0.508 105 T N -0.772 114.067 114.554 0.475 0.000 2.768 105 T HA 0.694 5.044 4.350 0.000 0.000 0.268 105 T C 0.937 175.988 174.700 0.585 0.000 0.969 105 T CA -0.286 62.099 62.100 0.474 0.000 1.008 105 T CB 1.293 70.454 68.868 0.489 0.000 1.371 105 T HN 0.407 nan 8.240 nan 0.000 0.587 106 A N -0.690 122.350 122.820 0.366 0.000 2.238 106 A HA 0.443 4.763 4.320 0.000 0.000 0.208 106 A C 0.095 177.703 177.584 0.042 0.000 1.177 106 A CA -0.100 52.025 52.037 0.147 0.000 0.804 106 A CB -0.934 17.997 19.000 -0.114 0.000 0.823 106 A HN 0.572 nan 8.150 nan 0.000 0.482 107 F N -0.921 119.226 119.950 0.327 0.000 2.450 107 F HA 0.404 4.931 4.527 0.000 0.000 0.328 107 F C 1.704 177.219 175.800 -0.475 0.000 1.068 107 F CA -0.876 57.143 58.000 0.031 0.000 1.007 107 F CB 1.054 40.105 39.000 0.085 0.000 1.251 107 F HN 0.161 nan 8.300 nan 0.000 0.492 108 R N 0.158 120.054 120.500 -1.006 0.000 2.235 108 R HA -0.005 4.335 4.340 0.000 0.000 0.213 108 R C -0.047 176.052 176.300 -0.334 0.000 1.059 108 R CA 0.626 55.833 56.100 -1.489 0.000 0.997 108 R CB -0.554 28.938 30.300 -1.348 0.000 0.884 108 R HN 0.464 nan 8.270 nan 0.000 0.462 109 H N 0.848 119.893 119.070 -0.042 0.000 2.757 109 H HA 0.044 4.600 4.556 0.000 0.000 0.370 109 H C 1.087 176.447 175.328 0.053 0.000 1.172 109 H CA 0.475 56.509 56.048 -0.024 0.000 1.426 109 H CB 1.766 31.506 29.762 -0.038 0.000 1.438 109 H HN 0.116 nan 8.280 nan 0.000 0.612 110 V N -1.921 118.004 119.914 0.019 0.000 3.432 110 V HA 0.393 4.513 4.120 0.000 0.000 0.298 110 V C 1.155 177.037 176.094 -0.354 0.000 1.464 110 V CA 0.466 62.669 62.300 -0.162 0.000 1.046 110 V CB 0.359 32.009 31.823 -0.289 0.000 0.887 110 V HN 0.992 nan 8.190 nan 0.000 0.441 111 G N -0.524 108.116 108.800 -0.267 0.000 2.144 111 G HA2 -0.074 3.886 3.960 0.000 0.000 0.218 111 G HA3 -0.074 3.886 3.960 0.000 0.000 0.218 111 G C -0.146 174.595 174.900 -0.266 0.000 0.988 111 G CA 0.340 45.221 45.100 -0.366 0.000 0.659 111 G HN 1.562 nan 8.290 nan 0.000 0.522 112 V N -0.706 119.093 119.914 -0.190 0.000 3.108 112 V HA 0.704 4.824 4.120 0.000 0.000 0.287 112 V C -1.604 174.371 176.094 -0.199 0.000 1.436 112 V CA -1.164 61.082 62.300 -0.090 0.000 1.001 112 V CB 1.603 33.395 31.823 -0.052 0.000 1.141 112 V HN 0.484 nan 8.190 nan 0.000 0.443 113 F N 7.571 127.584 119.950 0.105 0.000 2.310 113 F HA 0.501 5.028 4.527 -0.000 0.000 0.365 113 F C -1.371 174.391 175.800 -0.063 0.000 1.080 113 F CA -1.799 56.207 58.000 0.009 0.000 1.187 113 F CB 1.714 40.690 39.000 -0.040 0.000 1.465 113 F HN 0.418 nan 8.300 nan 0.000 0.496 114 P HA -0.206 nan 4.420 nan 0.000 0.220 114 P C 1.306 178.443 177.300 -0.271 0.000 1.148 114 P CA 1.256 64.238 63.100 -0.196 0.000 0.803 114 P CB 0.198 31.536 31.700 -0.604 0.000 0.782 115 E N 0.723 120.813 120.200 -0.182 0.000 2.209 115 E HA -0.221 4.129 4.350 0.000 0.000 0.196 115 E C 1.545 177.951 176.600 -0.323 0.000 0.993 115 E CA 1.083 57.400 56.400 -0.138 0.000 0.819 115 E CB -0.986 28.717 29.700 0.005 0.000 0.745 115 E HN 0.262 nan 8.360 nan 0.000 0.477 116 Q N 0.629 120.154 119.800 -0.458 0.000 2.439 116 Q HA 0.013 4.353 4.340 0.000 0.000 0.211 116 Q C 2.229 177.344 176.000 -1.476 0.000 0.978 116 Q CA 0.370 55.739 55.803 -0.723 0.000 0.897 116 Q CB -0.451 28.004 28.738 -0.472 0.000 0.956 116 Q HN 0.485 nan 8.270 nan 0.000 0.483 117 I N 0.019 119.741 120.570 -1.414 0.000 2.300 117 I HA -0.308 3.862 4.170 0.000 0.000 0.252 117 I C 1.736 177.643 176.117 -0.351 0.000 1.119 117 I CA 0.813 61.651 61.300 -0.770 0.000 1.384 117 I CB 0.128 38.004 38.000 -0.207 0.000 1.062 117 I HN -0.017 nan 8.210 nan 0.000 0.426 118 V N 0.561 120.232 119.914 -0.405 0.000 2.343 118 V HA -0.339 3.781 4.120 0.000 0.000 0.247 118 V C 2.150 178.073 176.094 -0.284 0.000 1.051 118 V CA 2.470 64.564 62.300 -0.342 0.000 1.036 118 V CB -1.113 30.417 31.823 -0.488 0.000 0.654 118 V HN 0.533 nan 8.190 nan 0.000 0.451 119 H N -1.871 117.070 119.070 -0.216 0.000 2.395 119 H HA -0.126 4.430 4.556 0.000 0.000 0.299 119 H C 2.116 177.588 175.328 0.241 0.000 1.070 119 H CA 1.662 57.691 56.048 -0.033 0.000 1.356 119 H CB -0.125 29.578 29.762 -0.099 0.000 1.401 119 H HN 0.418 nan 8.280 nan 0.000 0.524 120 W N 1.546 122.971 121.300 0.209 0.000 2.342 120 W HA -0.110 4.550 4.660 0.000 0.000 0.297 120 W C 1.956 178.552 176.519 0.128 0.000 1.213 120 W CA 0.810 58.249 57.345 0.157 0.000 1.251 120 W CB -0.904 28.614 29.460 0.097 0.000 1.136 120 W HN 0.377 nan 8.180 nan 0.000 0.526 121 E N -0.995 119.384 120.200 0.297 0.000 2.072 121 E HA -0.221 4.129 4.350 0.000 0.000 0.191 121 E C 1.923 178.619 176.600 0.160 0.000 0.985 121 E CA 1.572 58.080 56.400 0.180 0.000 0.801 121 E CB -0.765 28.999 29.700 0.106 0.000 0.750 121 E HN 0.270 nan 8.360 nan 0.000 0.452 122 W N 1.435 122.763 121.300 0.046 0.000 2.335 122 W HA -0.253 4.407 4.660 -0.000 0.000 0.311 122 W C 1.995 178.556 176.519 0.070 0.000 1.213 122 W CA 1.427 58.797 57.345 0.042 0.000 1.274 122 W CB -0.365 29.117 29.460 0.038 0.000 1.148 122 W HN 0.114 nan 8.180 nan 0.000 0.498 123 L N 1.882 123.216 121.223 0.186 0.000 1.994 123 L HA -0.151 4.189 4.340 0.000 0.000 0.208 123 L C 2.639 179.424 176.870 -0.141 0.000 1.071 123 L CA 2.790 57.606 54.840 -0.039 0.000 0.745 123 L CB -1.438 40.794 42.059 0.288 0.000 0.892 123 L HN 0.097 nan 8.230 nan 0.000 0.431 124 K N -0.424 119.971 120.400 -0.008 0.000 2.044 124 K HA -0.290 4.030 4.320 0.000 0.000 0.210 124 K C 2.215 178.758 176.600 -0.096 0.000 1.049 124 K CA 2.038 58.310 56.287 -0.026 0.000 0.927 124 K CB -0.479 32.044 32.500 0.038 0.000 0.713 124 K HN 0.588 nan 8.250 nan 0.000 0.443 125 N N 0.204 118.824 118.700 -0.133 0.000 2.084 125 N HA -0.180 4.560 4.740 0.000 0.000 0.190 125 N C 1.739 177.104 175.510 -0.243 0.000 1.030 125 N CA 1.473 54.425 53.050 -0.163 0.000 0.849 125 N CB -0.147 38.251 38.487 -0.149 0.000 1.012 125 N HN 0.314 nan 8.380 nan 0.000 0.423 126 A N 0.983 123.542 122.820 -0.435 0.000 1.883 126 A HA -0.099 4.221 4.320 0.000 0.000 0.217 126 A C 2.555 179.984 177.584 -0.259 0.000 1.186 126 A CA 1.750 53.508 52.037 -0.464 0.000 0.624 126 A CB -0.871 17.619 19.000 -0.851 0.000 0.822 126 A HN 0.219 nan 8.150 nan 0.000 0.444 127 V N -0.240 119.547 119.914 -0.211 0.000 2.323 127 V HA -0.232 3.888 4.120 0.000 0.000 0.244 127 V C 2.400 178.442 176.094 -0.088 0.000 1.041 127 V CA 2.159 64.389 62.300 -0.118 0.000 1.025 127 V CB -0.881 30.892 31.823 -0.084 0.000 0.656 127 V HN 0.623 nan 8.190 nan 0.000 0.451 128 E N 0.473 120.621 120.200 -0.087 0.000 2.085 128 E HA -0.219 4.131 4.350 0.000 0.000 0.194 128 E C 2.245 178.809 176.600 -0.059 0.000 0.994 128 E CA 1.976 58.339 56.400 -0.062 0.000 0.801 128 E CB -0.230 29.438 29.700 -0.054 0.000 0.743 128 E HN 0.791 nan 8.360 nan 0.000 0.453 129 T N -1.519 112.989 114.554 -0.076 0.000 3.100 129 T HA 0.281 4.631 4.350 0.000 0.000 0.253 129 T C 0.745 175.412 174.700 -0.056 0.000 1.118 129 T CA 0.146 62.208 62.100 -0.063 0.000 1.058 129 T CB 0.157 68.983 68.868 -0.070 0.000 0.953 129 T HN 0.112 nan 8.240 nan 0.000 0.515 130 A N 1.574 124.356 122.820 -0.063 0.000 2.520 130 A HA 0.269 4.589 4.320 0.000 0.000 0.245 130 A C 0.642 178.207 177.584 -0.032 0.000 1.072 130 A CA -0.247 51.762 52.037 -0.046 0.000 0.761 130 A CB -0.145 18.827 19.000 -0.047 0.000 1.004 130 A HN 0.307 nan 8.150 nan 0.000 0.499 131 D N 0.423 120.809 120.400 -0.023 0.000 2.325 131 D HA 0.148 4.788 4.640 0.000 0.000 0.234 131 D C 0.696 176.988 176.300 -0.014 0.000 1.122 131 D CA 0.536 54.526 54.000 -0.017 0.000 0.850 131 D CB 0.019 40.811 40.800 -0.013 0.000 0.921 131 D HN 0.718 nan 8.370 nan 0.000 0.513 132 R N -1.736 118.756 120.500 -0.014 0.000 2.774 132 R HA 0.654 4.994 4.340 0.000 0.000 0.272 132 R C -3.076 173.216 176.300 -0.014 0.000 1.000 132 R CA -1.884 54.209 56.100 -0.012 0.000 0.906 132 R CB 0.409 30.705 30.300 -0.007 0.000 1.227 132 R HN -0.321 nan 8.270 nan 0.000 0.468 133 P HA 0.059 nan 4.420 nan 0.000 0.264 133 P C -0.878 176.417 177.300 -0.008 0.000 1.193 133 P CA 0.078 63.170 63.100 -0.013 0.000 0.763 133 P CB 0.471 32.162 31.700 -0.015 0.000 0.810 134 L N 3.440 124.660 121.223 -0.005 0.000 2.334 134 L HA 0.442 4.782 4.340 0.000 0.000 0.273 134 L C 0.566 177.453 176.870 0.029 0.000 1.013 134 L CA -0.870 53.977 54.840 0.012 0.000 0.816 134 L CB 1.671 43.736 42.059 0.009 0.000 1.278 134 L HN 0.210 nan 8.230 nan 0.000 0.431 135 K N 2.164 122.597 120.400 0.056 0.000 2.263 135 K HA 0.503 4.823 4.320 0.000 0.000 0.272 135 K C -1.125 175.611 176.600 0.226 0.000 1.033 135 K CA -0.467 55.886 56.287 0.110 0.000 0.884 135 K CB 1.945 34.457 32.500 0.021 0.000 1.107 135 K HN 0.228 nan 8.250 nan 0.000 0.460 136 V N 4.794 124.827 119.914 0.200 0.000 2.417 136 V HA 0.296 4.416 4.120 0.000 0.000 0.291 136 V C -0.791 175.356 176.094 0.087 0.000 1.024 136 V CA -0.980 61.411 62.300 0.152 0.000 0.861 136 V CB 1.410 33.280 31.823 0.077 0.000 0.985 136 V HN 0.542 nan 8.190 nan 0.000 0.436 137 L N 5.015 126.203 121.223 -0.057 0.000 2.296 137 L HA 0.654 4.994 4.340 0.000 0.000 0.286 137 L C -0.373 176.397 176.870 -0.167 0.000 1.023 137 L CA 0.102 54.754 54.840 -0.313 0.000 0.812 137 L CB 1.483 43.041 42.059 -0.835 0.000 1.223 137 L HN 0.657 nan 8.230 nan 0.000 0.421 138 N N 5.156 123.749 118.700 -0.178 0.000 2.569 138 N HA 0.403 5.143 4.740 0.000 0.000 0.254 138 N C -1.595 173.760 175.510 -0.257 0.000 1.004 138 N CA -0.321 52.639 53.050 -0.150 0.000 0.904 138 N CB 0.576 38.999 38.487 -0.106 0.000 1.165 138 N HN 0.619 nan 8.380 nan 0.000 0.513 139 L N 3.407 124.520 121.223 -0.183 0.000 2.334 139 L HA 0.470 4.810 4.340 0.000 0.000 0.277 139 L C 0.098 176.904 176.870 -0.108 0.000 1.075 139 L CA -0.834 53.846 54.840 -0.267 0.000 0.804 139 L CB 0.275 42.209 42.059 -0.208 0.000 1.174 139 L HN 0.535 nan 8.230 nan 0.000 0.438 140 F N 0.881 120.663 119.950 -0.280 0.000 3.074 140 F HA -0.214 4.313 4.527 0.000 0.000 0.287 140 F C 1.593 177.290 175.800 -0.172 0.000 0.932 140 F CA 0.527 58.386 58.000 -0.235 0.000 0.995 140 F CB -1.806 37.039 39.000 -0.257 0.000 0.966 140 F HN 0.714 nan 8.300 nan 0.000 0.721 141 G N -1.256 107.414 108.800 -0.217 0.000 2.509 141 G HA2 0.008 3.968 3.960 0.000 0.000 0.218 141 G HA3 0.008 3.968 3.960 0.000 0.000 0.218 141 G C 0.563 175.615 174.900 0.252 0.000 1.124 141 G CA 0.980 45.925 45.100 -0.258 0.000 0.776 141 G HN 0.650 nan 8.290 nan 0.000 0.547 142 Y N 0.634 121.015 120.300 0.136 0.000 2.887 142 Y HA -0.431 4.119 4.550 0.000 0.000 0.467 142 Y C 2.225 178.298 175.900 0.290 0.000 1.191 142 Y CA 2.675 60.897 58.100 0.204 0.000 2.539 142 Y CB -1.250 37.307 38.460 0.161 0.000 1.225 142 Y HN 0.308 nan 8.280 nan 0.000 0.630 143 T N -0.023 114.331 114.554 -0.333 0.000 3.160 143 T HA 0.377 4.727 4.350 0.000 0.000 0.257 143 T C 1.483 176.149 174.700 -0.057 0.000 1.147 143 T CA 1.204 63.139 62.100 -0.277 0.000 1.064 143 T CB -0.769 67.769 68.868 -0.549 0.000 0.949 143 T HN 2.098 nan 8.240 nan 0.000 0.526 144 G N 0.498 109.387 108.800 0.148 0.000 2.147 144 G HA2 -0.282 3.678 3.960 0.000 0.000 0.244 144 G HA3 -0.282 3.678 3.960 0.000 0.000 0.244 144 G C 0.775 175.642 174.900 -0.056 0.000 1.005 144 G CA 0.142 45.364 45.100 0.203 0.000 0.713 144 G HN 0.513 nan 8.290 nan 0.000 0.515 145 V N 0.185 119.941 119.914 -0.263 0.000 2.407 145 V HA -0.095 4.025 4.120 0.000 0.000 0.248 145 V C 3.193 178.841 176.094 -0.743 0.000 1.055 145 V CA 3.017 64.934 62.300 -0.638 0.000 1.049 145 V CB -0.892 30.262 31.823 -1.115 0.000 0.662 145 V HN 0.960 nan 8.190 nan 0.000 0.455 146 A N -0.317 122.154 122.820 -0.582 0.000 1.933 146 A HA -0.199 4.121 4.320 0.000 0.000 0.218 146 A C 2.481 179.968 177.584 -0.162 0.000 1.175 146 A CA 2.159 53.965 52.037 -0.385 0.000 0.628 146 A CB -0.644 18.388 19.000 0.053 0.000 0.814 146 A HN 0.519 nan 8.150 nan 0.000 0.444 147 S N 0.044 115.703 115.700 -0.068 0.000 2.368 147 S HA -0.107 4.363 4.470 0.000 0.000 0.225 147 S C 1.807 176.345 174.600 -0.104 0.000 1.030 147 S CA 1.523 59.696 58.200 -0.046 0.000 0.999 147 S CB -0.450 62.771 63.200 0.036 0.000 0.844 147 S HN 0.533 nan 8.310 nan 0.000 0.459 148 L N 0.908 122.057 121.223 -0.123 0.000 2.056 148 L HA -0.049 4.291 4.340 0.000 0.000 0.207 148 L C 2.375 179.174 176.870 -0.119 0.000 1.078 148 L CA 0.758 55.533 54.840 -0.108 0.000 0.749 148 L CB -0.853 41.145 42.059 -0.102 0.000 0.901 148 L HN 0.186 nan 8.230 nan 0.000 0.433 149 V N 0.558 120.361 119.914 -0.184 0.000 2.287 149 V HA -0.341 3.779 4.120 0.000 0.000 0.248 149 V C 2.837 178.893 176.094 -0.064 0.000 1.053 149 V CA 2.040 64.264 62.300 -0.127 0.000 1.027 149 V CB -0.932 30.798 31.823 -0.155 0.000 0.646 149 V HN 0.496 nan 8.190 nan 0.000 0.447 150 A N -0.196 122.588 122.820 -0.059 0.000 1.902 150 A HA -0.134 4.186 4.320 0.000 0.000 0.217 150 A C 2.417 179.973 177.584 -0.045 0.000 1.181 150 A CA 2.212 54.228 52.037 -0.035 0.000 0.623 150 A CB -0.823 18.167 19.000 -0.017 0.000 0.818 150 A HN 0.599 nan 8.150 nan 0.000 0.443 151 A N -0.230 122.552 122.820 -0.062 0.000 1.902 151 A HA 0.175 4.495 4.320 0.000 0.000 0.217 151 A C 2.481 180.039 177.584 -0.043 0.000 1.181 151 A CA 2.028 54.029 52.037 -0.060 0.000 0.623 151 A CB -0.953 18.002 19.000 -0.076 0.000 0.818 151 A HN 1.071 nan 8.150 nan 0.000 0.443 152 A N -0.319 122.476 122.820 -0.041 0.000 1.969 152 A HA 0.236 4.556 4.320 0.000 0.000 0.218 152 A C 2.316 179.886 177.584 -0.025 0.000 1.169 152 A CA 1.729 53.749 52.037 -0.028 0.000 0.635 152 A CB -0.748 18.237 19.000 -0.025 0.000 0.810 152 A HN 1.061 nan 8.150 nan 0.000 0.445 153 A N -1.900 120.903 122.820 -0.028 0.000 2.206 153 A HA 0.396 4.716 4.320 0.000 0.000 0.211 153 A C 1.703 179.269 177.584 -0.030 0.000 1.158 153 A CA 1.313 53.333 52.037 -0.028 0.000 0.761 153 A CB -0.751 18.229 19.000 -0.034 0.000 0.801 153 A HN 1.855 nan 8.150 nan 0.000 0.473 154 G N -2.474 106.308 108.800 -0.029 0.000 2.138 154 G HA2 0.191 4.151 3.960 0.000 0.000 0.193 154 G HA3 0.191 4.151 3.960 0.000 0.000 0.193 154 G C 0.292 175.176 174.900 -0.027 0.000 0.998 154 G CA 0.131 45.215 45.100 -0.027 0.000 0.668 154 G HN 1.434 nan 8.290 nan 0.000 0.516 155 A N -0.117 122.686 122.820 -0.028 0.000 2.304 155 A HA 0.705 5.025 4.320 0.000 0.000 0.271 155 A C 0.448 178.018 177.584 -0.024 0.000 1.091 155 A CA 0.369 52.395 52.037 -0.019 0.000 0.812 155 A CB 0.579 19.572 19.000 -0.011 0.000 1.056 155 A HN 0.718 nan 8.150 nan 0.000 0.489 156 E N 1.267 121.460 120.200 -0.011 0.000 2.105 156 E HA 0.443 4.793 4.350 0.000 0.000 0.285 156 E C -1.214 175.388 176.600 0.003 0.000 1.055 156 E CA -0.327 56.064 56.400 -0.014 0.000 0.843 156 E CB 0.483 30.179 29.700 -0.007 0.000 1.067 156 E HN 0.354 nan 8.360 nan 0.000 0.398 157 V N 4.206 124.089 119.914 -0.050 0.000 2.483 157 V HA 0.331 4.451 4.120 0.000 0.000 0.295 157 V C -0.011 176.019 176.094 -0.108 0.000 1.035 157 V CA -0.735 61.522 62.300 -0.071 0.000 0.896 157 V CB 1.937 33.674 31.823 -0.143 0.000 0.986 157 V HN 0.701 nan 8.190 nan 0.000 0.447 158 T N 4.173 118.698 114.554 -0.049 0.000 2.791 158 T HA 0.355 4.705 4.350 0.000 0.000 0.288 158 T C -0.678 173.920 174.700 -0.170 0.000 0.999 158 T CA -0.239 61.804 62.100 -0.095 0.000 0.952 158 T CB 0.245 69.161 68.868 0.080 0.000 0.938 158 T HN 0.731 nan 8.240 nan 0.000 0.444 159 H N 3.324 122.185 119.070 -0.348 0.000 2.511 159 H HA 0.573 5.129 4.556 0.000 0.000 0.328 159 H C -1.417 173.772 175.328 -0.232 0.000 1.044 159 H CA -0.519 55.370 56.048 -0.266 0.000 1.212 159 H CB 0.927 30.497 29.762 -0.320 0.000 1.428 159 H HN 0.326 nan 8.280 nan 0.000 0.483 160 V N 6.449 126.095 119.914 -0.446 0.000 2.409 160 V HA 0.266 4.386 4.120 0.000 0.000 0.291 160 V C -0.057 175.802 176.094 -0.391 0.000 1.020 160 V CA -0.688 61.358 62.300 -0.423 0.000 0.848 160 V CB 1.654 33.141 31.823 -0.560 0.000 0.990 160 V HN 0.778 nan 8.190 nan 0.000 0.430 161 D N 2.872 123.150 120.400 -0.204 0.000 2.947 161 D HA 0.500 5.140 4.640 0.000 0.000 0.224 161 D C 0.495 176.714 176.300 -0.135 0.000 1.230 161 D CA -0.190 53.720 54.000 -0.149 0.000 0.871 161 D CB 2.866 43.693 40.800 0.044 0.000 1.671 161 D HN 0.496 nan 8.370 nan 0.000 0.507 162 A N 2.267 125.001 122.820 -0.143 0.000 2.119 162 A HA 0.020 4.340 4.320 0.000 0.000 0.217 162 A C 1.074 178.604 177.584 -0.089 0.000 1.153 162 A CA 0.635 52.598 52.037 -0.123 0.000 0.692 162 A CB 0.073 19.016 19.000 -0.096 0.000 0.799 162 A HN 0.273 nan 8.150 nan 0.000 0.458 163 S N -0.415 115.243 115.700 -0.070 0.000 2.410 163 S HA 0.289 4.759 4.470 0.000 0.000 0.304 163 S C 0.895 175.411 174.600 -0.140 0.000 1.095 163 S CA -0.524 57.619 58.200 -0.094 0.000 1.089 163 S CB 0.870 64.015 63.200 -0.091 0.000 0.968 163 S HN 0.444 nan 8.310 nan 0.000 0.480 164 K N 4.412 124.725 120.400 -0.145 0.000 2.103 164 K HA -0.140 4.180 4.320 0.000 0.000 0.207 164 K C 2.023 178.458 176.600 -0.275 0.000 1.048 164 K CA 1.440 57.624 56.287 -0.172 0.000 0.930 164 K CB -0.124 32.297 32.500 -0.130 0.000 0.716 164 K HN 0.699 nan 8.250 nan 0.000 0.444 165 K N 0.113 120.306 120.400 -0.345 0.000 2.032 165 K HA -0.159 4.161 4.320 0.000 0.000 0.209 165 K C 1.952 177.990 176.600 -0.937 0.000 1.048 165 K CA 1.402 57.322 56.287 -0.613 0.000 0.927 165 K CB -0.206 31.928 32.500 -0.611 0.000 0.712 165 K HN 0.214 nan 8.250 nan 0.000 0.441 166 A N 1.492 123.908 122.820 -0.673 0.000 1.933 166 A HA -0.125 4.195 4.320 0.000 0.000 0.218 166 A C 2.036 179.477 177.584 -0.238 0.000 1.175 166 A CA 1.218 53.001 52.037 -0.423 0.000 0.628 166 A CB -0.464 18.494 19.000 -0.070 0.000 0.814 166 A HN 0.302 nan 8.150 nan 0.000 0.444 167 I N 0.131 120.560 120.570 -0.236 0.000 2.163 167 I HA -0.227 3.943 4.170 0.000 0.000 0.243 167 I C 2.715 178.554 176.117 -0.464 0.000 1.085 167 I CA 1.642 62.761 61.300 -0.300 0.000 1.347 167 I CB -1.983 35.886 38.000 -0.219 0.000 1.044 167 I HN 0.362 nan 8.210 nan 0.000 0.408 168 G N 0.263 108.827 108.800 -0.393 0.000 2.476 168 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 168 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 168 G C 1.397 176.180 174.900 -0.196 0.000 1.164 168 G CA 0.474 45.376 45.100 -0.330 0.000 0.768 168 G HN 0.271 nan 8.290 nan 0.000 0.560 169 W N 1.100 122.254 121.300 -0.244 0.000 2.355 169 W HA 0.075 4.735 4.660 0.000 0.000 0.309 169 W C 2.999 179.341 176.519 -0.296 0.000 1.206 169 W CA 0.837 58.039 57.345 -0.239 0.000 1.284 169 W CB -1.295 28.028 29.460 -0.229 0.000 1.145 169 W HN 0.343 nan 8.180 nan 0.000 0.502 170 A N 0.466 123.209 122.820 -0.128 0.000 1.908 170 A HA -0.237 4.084 4.320 0.000 0.000 0.218 170 A C 2.059 179.377 177.584 -0.443 0.000 1.181 170 A CA 2.180 54.051 52.037 -0.276 0.000 0.627 170 A CB -0.766 18.013 19.000 -0.368 0.000 0.818 170 A HN 0.302 nan 8.150 nan 0.000 0.445 171 K N -0.448 119.516 120.400 -0.726 0.000 2.097 171 K HA -0.142 4.178 4.320 0.000 0.000 0.206 171 K C 1.962 178.406 176.600 -0.260 0.000 1.049 171 K CA 1.494 57.397 56.287 -0.641 0.000 0.933 171 K CB -0.160 31.903 32.500 -0.728 0.000 0.717 171 K HN 0.625 nan 8.250 nan 0.000 0.442 172 E N 0.575 120.664 120.200 -0.185 0.000 2.110 172 E HA -0.164 4.186 4.350 0.000 0.000 0.193 172 E C 1.739 178.294 176.600 -0.076 0.000 0.988 172 E CA 0.897 57.239 56.400 -0.097 0.000 0.804 172 E CB -0.006 29.663 29.700 -0.051 0.000 0.745 172 E HN 0.275 nan 8.360 nan 0.000 0.458 173 N N 0.889 119.546 118.700 -0.072 0.000 2.142 173 N HA -0.190 4.550 4.740 0.000 0.000 0.186 173 N C 1.766 177.274 175.510 -0.003 0.000 1.023 173 N CA 0.882 53.916 53.050 -0.026 0.000 0.852 173 N CB -0.358 38.122 38.487 -0.013 0.000 0.998 173 N HN 0.244 nan 8.380 nan 0.000 0.424 174 Q N 0.893 120.700 119.800 0.012 0.000 2.077 174 Q HA -0.128 4.212 4.340 0.000 0.000 0.206 174 Q C 1.763 177.780 176.000 0.029 0.000 0.989 174 Q CA 1.574 57.419 55.803 0.070 0.000 0.853 174 Q CB 0.064 28.921 28.738 0.198 0.000 0.907 174 Q HN 0.110 nan 8.270 nan 0.000 0.418 175 V N 0.959 120.871 119.914 -0.004 0.000 2.295 175 V HA -0.269 3.851 4.120 0.000 0.000 0.246 175 V C 2.358 178.441 176.094 -0.018 0.000 1.049 175 V CA 1.628 63.920 62.300 -0.013 0.000 1.024 175 V CB -0.639 31.165 31.823 -0.031 0.000 0.648 175 V HN 0.402 nan 8.190 nan 0.000 0.447 176 L N 0.724 121.929 121.223 -0.029 0.000 2.083 176 L HA -0.059 4.281 4.340 0.000 0.000 0.209 176 L C 2.283 179.137 176.870 -0.027 0.000 1.083 176 L CA 2.183 56.999 54.840 -0.039 0.000 0.752 176 L CB -0.682 41.341 42.059 -0.061 0.000 0.899 176 L HN 0.249 nan 8.230 nan 0.000 0.433 177 A N -1.076 121.738 122.820 -0.010 0.000 2.206 177 A HA 0.320 4.640 4.320 0.000 0.000 0.211 177 A C 1.656 179.239 177.584 -0.003 0.000 1.158 177 A CA 0.656 52.692 52.037 -0.001 0.000 0.761 177 A CB -0.950 18.057 19.000 0.012 0.000 0.801 177 A HN 0.778 nan 8.150 nan 0.000 0.473 178 G N -1.280 107.518 108.800 -0.003 0.000 2.160 178 G HA2 -0.216 3.744 3.960 0.000 0.000 0.244 178 G HA3 -0.216 3.744 3.960 0.000 0.000 0.244 178 G C 0.342 175.245 174.900 0.004 0.000 1.022 178 G CA 0.438 45.537 45.100 -0.002 0.000 0.741 178 G HN 0.573 nan 8.290 nan 0.000 0.508 179 L N -0.658 120.573 121.223 0.014 0.000 2.910 179 L HA 0.294 4.634 4.340 0.000 0.000 0.252 179 L C 1.944 178.837 176.870 0.038 0.000 1.195 179 L CA 0.016 54.867 54.840 0.019 0.000 1.003 179 L CB 0.314 42.383 42.059 0.016 0.000 1.328 179 L HN 0.141 nan 8.230 nan 0.000 0.540 180 E N 0.407 120.629 120.200 0.038 0.000 2.147 180 E HA -0.276 4.074 4.350 0.000 0.000 0.199 180 E C 1.882 178.513 176.600 0.051 0.000 1.005 180 E CA 1.449 57.880 56.400 0.051 0.000 0.810 180 E CB -0.067 29.649 29.700 0.027 0.000 0.736 180 E HN 0.497 nan 8.360 nan 0.000 0.460 181 Q N -0.263 119.554 119.800 0.028 0.000 2.302 181 Q HA 0.221 4.561 4.340 0.000 0.000 0.202 181 Q C 0.460 176.464 176.000 0.007 0.000 0.936 181 Q CA 0.239 56.053 55.803 0.018 0.000 0.886 181 Q CB 0.228 28.971 28.738 0.008 0.000 0.986 181 Q HN 0.222 nan 8.270 nan 0.000 0.487 182 A N 3.157 125.978 122.820 0.001 0.000 2.586 182 A HA 0.007 4.327 4.320 0.000 0.000 0.231 182 A C -2.036 175.524 177.584 -0.039 0.000 1.055 182 A CA -0.663 51.362 52.037 -0.020 0.000 0.756 182 A CB -0.307 18.677 19.000 -0.027 0.000 0.988 182 A HN 0.066 nan 8.150 nan 0.000 0.509 183 P HA 0.235 nan 4.420 nan 0.000 0.256 183 P C -0.916 176.301 177.300 -0.138 0.000 1.688 183 P CA 0.641 63.698 63.100 -0.071 0.000 1.162 183 P CB -0.432 31.238 31.700 -0.050 0.000 1.870 184 I N 2.608 123.046 120.570 -0.219 0.000 2.362 184 I HA 0.362 4.532 4.170 0.000 0.000 0.289 184 I C 0.878 176.650 176.117 -0.575 0.000 0.994 184 I CA -0.847 60.169 61.300 -0.474 0.000 1.158 184 I CB 2.122 39.683 38.000 -0.732 0.000 1.315 184 I HN -0.013 nan 8.210 nan 0.000 0.451 185 R N 5.723 125.947 120.500 -0.459 0.000 2.221 185 R HA 0.308 4.648 4.340 0.000 0.000 0.327 185 R C -1.636 174.426 176.300 -0.397 0.000 1.033 185 R CA -0.505 55.410 56.100 -0.308 0.000 0.887 185 R CB 0.782 31.011 30.300 -0.118 0.000 1.057 185 R HN 0.516 nan 8.270 nan 0.000 0.455 186 W N 6.219 127.482 121.300 -0.062 0.000 2.316 186 W HA 0.354 5.014 4.660 -0.000 0.000 0.308 186 W C -0.241 176.211 176.519 -0.111 0.000 1.106 186 W CA -0.713 56.582 57.345 -0.082 0.000 1.262 186 W CB 0.953 30.349 29.460 -0.107 0.000 1.233 186 W HN 0.172 nan 8.180 nan 0.000 0.447 187 I N 4.245 124.839 120.570 0.040 0.000 2.382 187 I HA 0.131 4.301 4.170 0.000 0.000 0.286 187 I C -0.383 175.662 176.117 -0.119 0.000 1.002 187 I CA -0.921 60.287 61.300 -0.154 0.000 1.135 187 I CB 1.277 38.935 38.000 -0.570 0.000 1.288 187 I HN 0.407 nan 8.210 nan 0.000 0.448 188 C N 7.395 126.644 119.300 -0.086 0.000 2.176 188 C HA 0.624 5.084 4.460 0.000 0.000 0.329 188 C C 0.083 174.985 174.990 -0.146 0.000 1.113 188 C CA 0.059 59.016 59.018 -0.101 0.000 1.562 188 C CB -0.979 26.715 27.740 -0.076 0.000 2.040 188 C HN 0.938 nan 8.230 nan 0.000 0.460 189 E N 2.905 122.995 120.200 -0.185 0.000 2.401 189 E HA 0.225 4.575 4.350 0.000 0.000 0.280 189 E C -1.517 174.970 176.600 -0.189 0.000 1.039 189 E CA -0.587 55.705 56.400 -0.179 0.000 0.814 189 E CB 1.290 30.932 29.700 -0.097 0.000 1.275 189 E HN 0.670 nan 8.360 nan 0.000 0.448 190 D N 1.400 121.711 120.400 -0.148 0.000 2.525 190 D HA 0.230 4.870 4.640 0.000 0.000 0.235 190 D C -0.136 176.060 176.300 -0.174 0.000 1.137 190 D CA 0.682 54.603 54.000 -0.132 0.000 0.868 190 D CB 0.888 41.669 40.800 -0.032 0.000 1.180 190 D HN 0.570 nan 8.370 nan 0.000 0.465 194 F N 4.021 123.932 119.950 -0.064 0.000 2.095 194 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 194 F C 1.882 177.662 175.800 -0.034 0.000 1.104 194 F CA 2.327 60.291 58.000 -0.059 0.000 1.232 194 F CB -0.148 38.788 39.000 -0.107 0.000 0.987 194 F HN 0.261 nan 8.300 nan 0.000 0.475 195 I N -1.227 119.284 120.570 -0.100 0.000 2.315 195 I HA -0.219 3.951 4.170 0.000 0.000 0.248 195 I C 2.348 178.382 176.117 -0.138 0.000 1.117 195 I CA 1.600 62.796 61.300 -0.174 0.000 1.404 195 I CB -1.108 36.870 38.000 -0.038 0.000 1.071 195 I HN 0.310 nan 8.210 nan 0.000 0.419 196 Q N 1.347 121.108 119.800 -0.065 0.000 2.124 196 Q HA -0.174 4.166 4.340 0.000 0.000 0.202 196 Q C 2.425 178.376 176.000 -0.082 0.000 0.977 196 Q CA 1.568 57.346 55.803 -0.041 0.000 0.850 196 Q CB 0.042 28.786 28.738 0.009 0.000 0.901 196 Q HN 0.562 nan 8.270 nan 0.000 0.429 197 R N -0.098 120.328 120.500 -0.124 0.000 2.092 197 R HA -0.096 4.244 4.340 0.000 0.000 0.231 197 R C 2.130 178.311 176.300 -0.198 0.000 1.119 197 R CA 1.039 57.058 56.100 -0.135 0.000 0.970 197 R CB 0.013 30.250 30.300 -0.105 0.000 0.864 197 R HN 0.224 nan 8.270 nan 0.000 0.440 198 E N 0.779 120.776 120.200 -0.338 0.000 2.077 198 E HA -0.228 4.122 4.350 0.000 0.000 0.193 198 E C 1.797 178.316 176.600 -0.135 0.000 0.989 198 E CA 1.027 57.255 56.400 -0.287 0.000 0.800 198 E CB -0.058 29.430 29.700 -0.353 0.000 0.746 198 E HN 0.429 nan 8.360 nan 0.000 0.452 199 E N 0.964 121.101 120.200 -0.105 0.000 2.058 199 E HA -0.226 4.124 4.350 0.000 0.000 0.194 199 E C 2.265 178.834 176.600 -0.053 0.000 0.997 199 E CA 0.968 57.334 56.400 -0.057 0.000 0.801 199 E CB -0.016 29.662 29.700 -0.037 0.000 0.746 199 E HN 0.042 nan 8.360 nan 0.000 0.450 200 R N 0.345 120.811 120.500 -0.057 0.000 2.105 200 R HA -0.130 4.210 4.340 0.000 0.000 0.239 200 R C 2.276 178.549 176.300 -0.045 0.000 1.135 200 R CA 1.564 57.638 56.100 -0.044 0.000 0.967 200 R CB -0.052 30.224 30.300 -0.039 0.000 0.861 200 R HN 0.090 nan 8.270 nan 0.000 0.442 201 R N -1.052 119.411 120.500 -0.061 0.000 2.235 201 R HA 0.019 4.359 4.340 0.000 0.000 0.213 201 R C 1.068 177.336 176.300 -0.054 0.000 1.059 201 R CA 0.680 56.746 56.100 -0.056 0.000 0.997 201 R CB 0.158 30.416 30.300 -0.069 0.000 0.884 201 R HN 0.542 nan 8.270 nan 0.000 0.462 202 G N 0.670 109.437 108.800 -0.054 0.000 2.147 202 G HA2 -0.280 3.680 3.960 0.000 0.000 0.244 202 G HA3 -0.280 3.680 3.960 0.000 0.000 0.244 202 G C -0.055 174.804 174.900 -0.068 0.000 1.005 202 G CA 0.253 45.322 45.100 -0.051 0.000 0.713 202 G HN 0.303 nan 8.290 nan 0.000 0.515 203 S N 0.369 116.017 115.700 -0.086 0.000 2.576 203 S HA 0.642 5.112 4.470 0.000 0.000 0.276 203 S C 0.679 175.192 174.600 -0.145 0.000 1.339 203 S CA 0.608 58.724 58.200 -0.142 0.000 1.039 203 S CB 1.345 64.455 63.200 -0.150 0.000 0.902 203 S HN 1.286 nan 8.310 nan 0.000 0.516 204 T N 0.136 114.528 114.554 -0.269 0.000 2.906 204 T HA 0.723 5.073 4.350 0.000 0.000 0.295 204 T C -1.481 172.967 174.700 -0.419 0.000 1.075 204 T CA -0.681 61.306 62.100 -0.187 0.000 1.005 204 T CB 0.814 69.633 68.868 -0.081 0.000 1.136 204 T HN 0.442 nan 8.240 nan 0.000 0.498 205 Y N -0.098 120.221 120.300 0.031 0.000 2.492 205 Y HA 0.406 4.956 4.550 0.000 0.000 0.346 205 Y C 0.744 176.686 175.900 0.071 0.000 0.997 205 Y CA -1.035 57.095 58.100 0.050 0.000 1.025 205 Y CB 2.146 40.642 38.460 0.060 0.000 1.263 205 Y HN 0.674 nan 8.280 nan 0.000 0.454 206 D N 1.679 122.211 120.400 0.221 0.000 2.213 206 D HA 0.112 4.752 4.640 0.000 0.000 0.205 206 D C 0.015 176.452 176.300 0.228 0.000 0.961 206 D CA 1.505 55.613 54.000 0.180 0.000 0.853 206 D CB 0.879 41.748 40.800 0.115 0.000 0.967 206 D HN 0.342 nan 8.370 nan 0.000 0.496 207 I N 1.000 121.714 120.570 0.241 0.000 2.569 207 I HA 0.314 4.484 4.170 0.000 0.000 0.290 207 I C -0.782 175.462 176.117 0.211 0.000 1.088 207 I CA -0.599 60.862 61.300 0.269 0.000 1.047 207 I CB 2.902 41.060 38.000 0.264 0.000 1.237 207 I HN -0.317 nan 8.210 nan 0.000 0.421 208 I N 6.647 127.332 120.570 0.192 0.000 2.436 208 I HA 0.450 4.620 4.170 0.000 0.000 0.289 208 I C -0.801 175.371 176.117 0.092 0.000 1.010 208 I CA -0.572 60.777 61.300 0.082 0.000 1.098 208 I CB 1.670 39.697 38.000 0.045 0.000 1.266 208 I HN 0.269 nan 8.210 nan 0.000 0.434 209 L N 4.992 126.248 121.223 0.056 0.000 2.334 209 L HA 0.722 5.062 4.340 0.000 0.000 0.276 209 L C -0.070 176.812 176.870 0.021 0.000 1.014 209 L CA -0.509 54.357 54.840 0.044 0.000 0.815 209 L CB 1.925 44.032 42.059 0.080 0.000 1.268 209 L HN 0.483 nan 8.230 nan 0.000 0.428 210 T N -0.206 114.362 114.554 0.022 0.000 2.991 210 T HA 0.262 4.612 4.350 0.000 0.000 0.303 210 T C -1.373 173.333 174.700 0.010 0.000 1.015 210 T CA -0.416 61.730 62.100 0.078 0.000 1.007 210 T CB 1.241 70.172 68.868 0.106 0.000 1.034 210 T HN 0.673 nan 8.240 nan 0.000 0.446 211 D N 5.622 126.032 120.400 0.016 0.000 2.795 211 D HA 0.354 4.994 4.640 0.000 0.000 0.335 211 D C -2.253 173.739 176.300 -0.513 0.000 1.262 211 D CA -1.794 52.117 54.000 -0.148 0.000 0.885 211 D CB 0.792 41.548 40.800 -0.073 0.000 1.047 211 D HN 0.307 nan 8.370 nan 0.000 0.500 212 P HA 0.206 nan 4.420 nan 0.000 0.271 212 P C -2.610 174.317 177.300 -0.621 0.000 1.216 212 P CA -1.163 61.025 63.100 -1.521 0.000 0.771 212 P CB 0.901 32.043 31.700 -0.930 0.000 0.864 213 P HA 0.147 nan 4.420 nan 0.000 0.276 213 P C 0.905 178.219 177.300 0.023 0.000 1.261 213 P CA -0.458 62.559 63.100 -0.138 0.000 0.800 213 P CB 1.264 32.933 31.700 -0.051 0.000 1.066 214 K N -0.054 120.297 120.400 -0.082 0.000 2.063 214 K HA -0.077 4.243 4.320 0.000 0.000 0.208 214 K C -0.159 176.182 176.600 -0.431 0.000 1.048 214 K CA 1.416 57.510 56.287 -0.323 0.000 0.928 214 K CB -0.174 32.038 32.500 -0.482 0.000 0.713 214 K HN 0.361 nan 8.250 nan 0.000 0.442 215 F N -1.053 119.008 119.950 0.184 0.000 2.565 215 F HA 0.578 5.105 4.527 0.000 0.000 0.313 215 F C 0.419 176.399 175.800 0.299 0.000 1.091 215 F CA -0.697 57.428 58.000 0.208 0.000 0.915 215 F CB 2.365 41.442 39.000 0.128 0.000 1.208 215 F HN 0.049 nan 8.300 nan 0.000 0.453 216 G N 1.385 110.537 108.800 0.587 0.000 2.663 216 G HA2 0.743 4.703 3.960 0.000 0.000 0.299 216 G HA3 0.743 4.703 3.960 0.000 0.000 0.299 216 G C -1.889 173.226 174.900 0.358 0.000 1.372 216 G CA -1.059 44.286 45.100 0.409 0.000 0.781 216 G HN 0.497 nan 8.290 nan 0.000 0.491 217 R N -0.855 119.791 120.500 0.242 0.000 2.628 217 R HA 0.583 4.923 4.340 0.000 0.000 0.288 217 R C 0.292 176.668 176.300 0.126 0.000 0.980 217 R CA -0.602 55.611 56.100 0.188 0.000 0.891 217 R CB 2.311 32.693 30.300 0.137 0.000 1.188 217 R HN 0.786 nan 8.270 nan 0.000 0.450 218 G N 0.015 108.879 108.800 0.108 0.000 2.616 218 G HA2 0.060 4.020 3.960 0.000 0.000 0.268 218 G HA3 0.060 4.020 3.960 0.000 0.000 0.268 218 G C 0.713 175.598 174.900 -0.025 0.000 1.213 218 G CA -0.371 44.742 45.100 0.022 0.000 0.926 218 G HN 0.538 nan 8.290 nan 0.000 0.523 219 T N -0.277 114.194 114.554 -0.139 0.000 2.803 219 T HA -0.130 4.220 4.350 0.000 0.000 0.269 219 T C 1.168 175.766 174.700 -0.169 0.000 1.052 219 T CA 1.650 63.615 62.100 -0.226 0.000 1.136 219 T CB -0.266 68.365 68.868 -0.395 0.000 0.864 219 T HN 0.624 nan 8.240 nan 0.000 0.467 220 H N -0.534 118.554 119.070 0.031 0.000 2.472 220 H HA 0.457 5.013 4.556 0.000 0.000 0.287 220 H C 1.493 176.848 175.328 0.045 0.000 1.112 220 H CA -0.242 55.826 56.048 0.034 0.000 1.021 220 H CB 0.187 29.968 29.762 0.031 0.000 1.635 220 H HN 0.388 nan 8.280 nan 0.000 0.559 221 G N 1.075 109.956 108.800 0.136 0.000 2.176 221 G HA2 -0.319 3.641 3.960 0.000 0.000 0.253 221 G HA3 -0.319 3.641 3.960 0.000 0.000 0.253 221 G C 0.032 175.005 174.900 0.120 0.000 0.979 221 G CA -0.243 44.926 45.100 0.116 0.000 0.641 221 G HN 0.425 nan 8.290 nan 0.000 0.530 222 E N 0.469 120.744 120.200 0.125 0.000 2.585 222 E HA 0.366 4.716 4.350 0.000 0.000 0.252 222 E C 0.687 177.388 176.600 0.169 0.000 0.981 222 E CA 0.050 56.528 56.400 0.131 0.000 0.943 222 E CB 1.037 30.808 29.700 0.118 0.000 0.923 222 E HN 0.249 nan 8.360 nan 0.000 0.486 223 V N 5.300 125.319 119.914 0.174 0.000 2.508 223 V HA 0.029 4.149 4.120 0.000 0.000 0.281 223 V C -0.233 176.062 176.094 0.335 0.000 1.041 223 V CA -0.387 62.052 62.300 0.232 0.000 1.016 223 V CB 0.264 32.203 31.823 0.194 0.000 0.984 223 V HN 0.647 nan 8.190 nan 0.000 0.478 224 W N 6.312 127.746 121.300 0.224 0.000 2.429 224 W HA 0.590 5.250 4.660 -0.000 0.000 0.314 224 W C -0.777 175.932 176.519 0.316 0.000 1.062 224 W CA -0.821 56.709 57.345 0.309 0.000 1.211 224 W CB 1.612 31.229 29.460 0.261 0.000 1.305 224 W HN 0.559 nan 8.180 nan 0.000 0.476 225 Q N 5.421 124.894 119.800 -0.544 0.000 2.303 225 Q HA 0.165 4.505 4.340 0.000 0.000 0.267 225 Q C 0.520 175.824 176.000 -1.159 0.000 1.011 225 Q CA -0.320 55.094 55.803 -0.648 0.000 0.740 225 Q CB 2.025 30.498 28.738 -0.441 0.000 1.250 225 Q HN 0.725 nan 8.270 nan 0.000 0.458 226 L N 3.419 124.089 121.223 -0.921 0.000 2.013 226 L HA -0.156 4.184 4.340 0.000 0.000 0.212 226 L C 0.869 177.335 176.870 -0.674 0.000 1.073 226 L CA 1.799 56.193 54.840 -0.744 0.000 0.753 226 L CB -0.046 41.733 42.059 -0.467 0.000 0.890 226 L HN 0.815 nan 8.230 nan 0.000 0.432 227 F N -0.381 119.304 119.950 -0.441 0.000 2.604 227 F HA -0.138 4.389 4.527 0.000 0.000 0.298 227 F C 1.986 177.568 175.800 -0.363 0.000 1.131 227 F CA 0.717 58.525 58.000 -0.320 0.000 1.457 227 F CB -0.260 38.599 39.000 -0.235 0.000 1.095 227 F HN 0.203 nan 8.300 nan 0.000 0.574 228 D N -1.820 118.307 120.400 -0.454 0.000 2.277 228 D HA -0.019 4.621 4.640 0.000 0.000 0.209 228 D C 1.513 177.408 176.300 -0.675 0.000 0.970 228 D CA 1.212 54.851 54.000 -0.602 0.000 0.874 228 D CB -0.199 40.022 40.800 -0.965 0.000 0.982 228 D HN 0.412 nan 8.370 nan 0.000 0.504 229 H N -0.922 117.758 119.070 -0.650 0.000 3.058 229 H HA 0.180 4.736 4.556 0.000 0.000 0.258 229 H C 1.629 176.777 175.328 -0.300 0.000 1.015 229 H CA -0.323 55.313 56.048 -0.688 0.000 1.210 229 H CB 0.948 30.076 29.762 -1.056 0.000 1.481 229 H HN -0.106 nan 8.280 nan 0.000 0.492 230 L N 2.357 123.459 121.223 -0.201 0.000 2.042 230 L HA -0.058 4.282 4.340 0.000 0.000 0.210 230 L C -0.966 175.953 176.870 0.083 0.000 1.076 230 L CA 1.771 56.636 54.840 0.042 0.000 0.749 230 L CB -0.717 41.301 42.059 -0.068 0.000 0.893 230 L HN 0.079 nan 8.230 nan 0.000 0.432 231 P HA -0.151 nan 4.420 nan 0.000 0.215 231 P C 0.830 178.199 177.300 0.115 0.000 1.157 231 P CA 0.951 64.091 63.100 0.066 0.000 0.874 231 P CB -0.119 31.621 31.700 0.067 0.000 0.790 235 D N 1.398 121.819 120.400 0.035 0.000 2.117 235 D HA -0.093 4.547 4.640 0.000 0.000 0.197 235 D C 2.041 178.348 176.300 0.012 0.000 0.987 235 D CA 1.696 55.703 54.000 0.012 0.000 0.829 235 D CB 0.189 41.008 40.800 0.031 0.000 0.961 235 D HN 0.361 nan 8.370 nan 0.000 0.460 236 I N -0.211 120.383 120.570 0.041 0.000 2.252 236 I HA -0.290 3.880 4.170 0.000 0.000 0.245 236 I C 2.484 178.611 176.117 0.017 0.000 1.102 236 I CA 0.436 61.755 61.300 0.030 0.000 1.385 236 I CB -0.307 37.722 38.000 0.047 0.000 1.064 236 I HN 0.184 nan 8.210 nan 0.000 0.414 237 C N 0.515 119.829 119.300 0.023 0.000 2.398 237 C HA -0.224 4.236 4.460 0.000 0.000 0.276 237 C C 3.009 177.996 174.990 -0.006 0.000 1.222 237 C CA 1.229 60.256 59.018 0.016 0.000 1.746 237 C CB -1.243 26.509 27.740 0.021 0.000 2.039 237 C HN 0.471 nan 8.230 nan 0.000 0.470 238 R N 0.769 121.241 120.500 -0.046 0.000 2.091 238 R HA -0.146 4.194 4.340 0.000 0.000 0.238 238 R C 2.028 178.290 176.300 -0.064 0.000 1.136 238 R CA 1.542 57.581 56.100 -0.102 0.000 0.959 238 R CB -0.262 29.947 30.300 -0.152 0.000 0.856 238 R HN 0.512 nan 8.270 nan 0.000 0.437 239 E N 0.586 120.765 120.200 -0.034 0.000 2.265 239 E HA -0.163 4.187 4.350 0.000 0.000 0.196 239 E C 1.677 178.276 176.600 -0.001 0.000 0.996 239 E CA 1.194 57.581 56.400 -0.021 0.000 0.832 239 E CB -0.035 29.656 29.700 -0.015 0.000 0.756 239 E HN 0.662 nan 8.360 nan 0.000 0.491 240 I N -2.360 118.226 120.570 0.027 0.000 3.914 240 I HA 0.210 4.380 4.170 0.000 0.000 0.333 240 I C 0.244 176.437 176.117 0.128 0.000 1.449 240 I CA -0.314 61.033 61.300 0.079 0.000 1.135 240 I CB 0.047 38.125 38.000 0.129 0.000 1.073 240 I HN -0.223 nan 8.210 nan 0.000 0.401 241 L N 2.333 123.600 121.223 0.073 0.000 2.371 241 L HA 0.314 4.654 4.340 0.000 0.000 0.272 241 L C 0.950 177.861 176.870 0.070 0.000 1.124 241 L CA -0.342 54.554 54.840 0.094 0.000 0.816 241 L CB 1.260 43.346 42.059 0.044 0.000 1.129 241 L HN 0.420 nan 8.230 nan 0.000 0.448 242 S N 2.029 117.783 115.700 0.090 0.000 2.593 242 S HA 0.218 4.688 4.470 0.000 0.000 0.269 242 S C -1.801 172.843 174.600 0.073 0.000 1.334 242 S CA -1.110 57.125 58.200 0.058 0.000 1.015 242 S CB 0.827 64.058 63.200 0.052 0.000 0.912 242 S HN 0.435 nan 8.310 nan 0.000 0.541 243 P HA -0.091 nan 4.420 nan 0.000 0.216 243 P C 0.289 177.647 177.300 0.095 0.000 1.150 243 P CA 1.391 64.528 63.100 0.062 0.000 0.843 243 P CB -0.014 31.709 31.700 0.040 0.000 0.787 244 K N -0.839 119.615 120.400 0.090 0.000 2.675 244 K HA 0.402 4.722 4.320 0.000 0.000 0.213 244 K C 0.304 176.985 176.600 0.134 0.000 1.074 244 K CA -0.490 55.857 56.287 0.101 0.000 1.172 244 K CB 0.257 32.795 32.500 0.063 0.000 0.927 244 K HN 0.035 nan 8.250 nan 0.000 0.471 245 A N 0.814 123.751 122.820 0.195 0.000 2.520 245 A HA 0.039 4.359 4.320 0.000 0.000 0.235 245 A C 0.925 178.673 177.584 0.274 0.000 1.065 245 A CA 0.150 52.341 52.037 0.257 0.000 0.764 245 A CB 0.183 19.382 19.000 0.331 0.000 1.002 245 A HN 0.469 nan 8.150 nan 0.000 0.502 246 L N 1.264 122.631 121.223 0.241 0.000 2.463 246 L HA 0.355 4.695 4.340 0.000 0.000 0.219 246 L C 1.152 178.216 176.870 0.324 0.000 1.088 246 L CA 0.762 55.715 54.840 0.188 0.000 0.849 246 L CB 0.044 42.151 42.059 0.081 0.000 1.012 246 L HN 0.924 nan 8.230 nan 0.000 0.468 247 G N 0.093 109.179 108.800 0.475 0.000 2.411 247 G HA2 0.419 4.379 3.960 0.000 0.000 0.295 247 G HA3 0.419 4.379 3.960 0.000 0.000 0.295 247 G C -2.457 172.730 174.900 0.478 0.000 1.542 247 G CA -0.512 44.901 45.100 0.521 0.000 0.814 247 G HN -0.199 nan 8.290 nan 0.000 0.557 248 L N 1.061 122.523 121.223 0.399 0.000 2.404 248 L HA 0.796 5.136 4.340 0.000 0.000 0.272 248 L C -1.044 175.874 176.870 0.079 0.000 0.980 248 L CA -0.864 54.117 54.840 0.235 0.000 0.836 248 L CB 1.922 44.116 42.059 0.224 0.000 1.238 248 L HN 0.457 nan 8.230 nan 0.000 0.408 249 V N 5.954 125.862 119.914 -0.010 0.000 2.378 249 V HA 0.478 4.598 4.120 0.000 0.000 0.288 249 V C -0.479 175.561 176.094 -0.089 0.000 1.016 249 V CA -0.567 61.655 62.300 -0.131 0.000 0.840 249 V CB 1.516 33.169 31.823 -0.283 0.000 0.994 249 V HN 0.689 nan 8.190 nan 0.000 0.431 250 L N 6.106 127.287 121.223 -0.069 0.000 2.296 250 L HA 0.842 5.182 4.340 0.000 0.000 0.286 250 L C 0.280 177.097 176.870 -0.090 0.000 1.023 250 L CA 0.430 55.233 54.840 -0.061 0.000 0.812 250 L CB 1.785 43.826 42.059 -0.030 0.000 1.223 250 L HN 0.835 nan 8.230 nan 0.000 0.421 251 T N 2.501 116.988 114.554 -0.112 0.000 2.863 251 T HA 0.929 5.279 4.350 0.000 0.000 0.285 251 T C -0.521 174.122 174.700 -0.094 0.000 1.009 251 T CA -0.346 61.694 62.100 -0.101 0.000 0.989 251 T CB 1.725 70.527 68.868 -0.111 0.000 1.004 251 T HN 1.010 nan 8.240 nan 0.000 0.455 252 A N 2.453 125.194 122.820 -0.132 0.000 2.402 252 A HA 0.676 4.996 4.320 0.000 0.000 0.291 252 A C -1.563 175.903 177.584 -0.197 0.000 1.051 252 A CA -0.875 51.086 52.037 -0.127 0.000 0.716 252 A CB 0.861 19.777 19.000 -0.140 0.000 1.223 252 A HN 0.835 nan 8.150 nan 0.000 0.425 253 Y N 1.546 121.748 120.300 -0.163 0.000 2.387 253 Y HA 0.416 4.966 4.550 0.000 0.000 0.336 253 Y C 1.406 177.269 175.900 -0.063 0.000 1.067 253 Y CA 0.681 58.708 58.100 -0.120 0.000 1.114 253 Y CB 1.958 40.295 38.460 -0.205 0.000 1.208 253 Y HN 1.462 nan 8.280 nan 0.000 0.458 254 S N 0.874 116.647 115.700 0.122 0.000 3.635 254 S HA -0.213 4.257 4.470 0.000 0.000 0.328 254 S C -0.579 174.064 174.600 0.072 0.000 1.135 254 S CA 0.522 58.793 58.200 0.118 0.000 0.942 254 S CB -2.461 60.834 63.200 0.158 0.000 0.930 254 S HN 0.571 nan 8.310 nan 0.000 0.512 255 I N 0.684 121.288 120.570 0.057 0.000 2.648 255 I HA 0.475 4.645 4.170 0.000 0.000 0.304 255 I C 1.014 177.214 176.117 0.137 0.000 1.009 255 I CA -1.137 60.226 61.300 0.105 0.000 1.114 255 I CB 1.439 39.468 38.000 0.049 0.000 1.293 255 I HN 0.167 nan 8.210 nan 0.000 0.449 256 R N 4.411 125.017 120.500 0.176 0.000 3.235 256 R HA 0.610 4.950 4.340 0.000 0.000 0.232 256 R C -1.422 174.964 176.300 0.143 0.000 1.475 256 R CA -0.011 56.136 56.100 0.078 0.000 1.405 256 R CB -0.225 30.050 30.300 -0.042 0.000 1.266 256 R HN 0.751 nan 8.270 nan 0.000 0.650 257 A N 1.393 124.297 122.820 0.139 0.000 2.577 257 A HA 0.292 4.612 4.320 0.000 0.000 0.297 257 A C -0.899 176.702 177.584 0.028 0.000 1.060 257 A CA -0.577 51.541 52.037 0.135 0.000 0.697 257 A CB 1.552 20.666 19.000 0.191 0.000 1.281 257 A HN 0.449 nan 8.150 nan 0.000 0.402 258 S N 0.503 116.182 115.700 -0.036 0.000 2.601 258 S HA 0.496 4.966 4.470 0.000 0.000 0.271 258 S C 1.177 175.659 174.600 -0.197 0.000 1.305 258 S CA 0.066 58.158 58.200 -0.181 0.000 1.022 258 S CB -0.044 63.003 63.200 -0.255 0.000 0.940 258 S HN 1.403 nan 8.310 nan 0.000 0.525 259 F N 2.410 122.303 119.950 -0.095 0.000 2.250 259 F HA -0.046 4.481 4.527 0.000 0.000 0.301 259 F C 1.439 177.138 175.800 -0.168 0.000 1.077 259 F CA 0.839 58.716 58.000 -0.206 0.000 1.348 259 F CB -0.960 37.824 39.000 -0.361 0.000 1.040 259 F HN 0.596 nan 8.300 nan 0.000 0.509 260 Y N 1.292 121.239 120.300 -0.589 0.000 2.207 260 Y HA -0.136 4.414 4.550 0.000 0.000 0.287 260 Y C 2.382 178.254 175.900 -0.047 0.000 1.156 260 Y CA 0.931 58.894 58.100 -0.228 0.000 1.182 260 Y CB -1.061 37.198 38.460 -0.335 0.000 0.979 260 Y HN 0.268 nan 8.280 nan 0.000 0.521 264 E N 1.198 121.407 120.200 0.015 0.000 2.106 264 E HA -0.023 4.327 4.350 0.000 0.000 0.192 264 E C 0.918 177.477 176.600 -0.069 0.000 0.984 264 E CA 0.579 56.953 56.400 -0.043 0.000 0.806 264 E CB -0.155 29.573 29.700 0.048 0.000 0.750 264 E HN 0.312 nan 8.360 nan 0.000 0.458 268 E N 0.932 121.083 120.200 -0.082 0.000 2.072 268 E HA -0.029 4.321 4.350 0.000 0.000 0.191 268 E C -0.019 176.544 176.600 -0.062 0.000 0.985 268 E CA 1.393 57.759 56.400 -0.057 0.000 0.801 268 E CB 0.058 29.733 29.700 -0.043 0.000 0.750 268 E HN 0.186 nan 8.360 nan 0.000 0.452 272 G N 1.847 110.643 108.800 -0.006 0.000 2.179 272 G HA2 -0.352 3.608 3.960 0.000 0.000 0.260 272 G HA3 -0.352 3.608 3.960 0.000 0.000 0.260 272 G C 0.580 175.489 174.900 0.015 0.000 0.977 272 G CA 0.557 45.659 45.100 0.005 0.000 0.641 272 G HN 0.956 nan 8.290 nan 0.000 0.533 273 A N 0.029 122.853 122.820 0.008 0.000 2.218 273 A HA 0.611 4.931 4.320 0.000 0.000 0.209 273 A C 2.336 180.058 177.584 0.229 0.000 1.168 273 A CA 1.671 53.730 52.037 0.036 0.000 0.804 273 A CB -0.458 18.424 19.000 -0.197 0.000 0.834 273 A HN 2.597 nan 8.150 nan 0.000 0.482 274 G N -1.486 107.440 108.800 0.210 0.000 2.697 274 G HA2 0.295 4.255 3.960 0.000 0.000 0.240 274 G HA3 0.295 4.255 3.960 0.000 0.000 0.240 274 G C 1.129 176.242 174.900 0.354 0.000 1.346 274 G CA 0.239 45.475 45.100 0.227 0.000 0.887 274 G HN 2.423 nan 8.290 nan 0.000 0.569 275 G N -2.512 106.388 108.800 0.166 0.000 2.553 275 G HA2 0.321 4.282 3.960 0.000 0.000 0.242 275 G HA3 0.321 4.282 3.960 0.000 0.000 0.242 275 G C 0.501 175.374 174.900 -0.046 0.000 1.277 275 G CA 1.353 46.441 45.100 -0.020 0.000 0.910 275 G HN 2.447 nan 8.290 nan 0.000 0.576 276 V N -0.909 118.875 119.914 -0.216 0.000 2.932 276 V HA 0.660 4.780 4.120 0.000 0.000 0.307 276 V C -0.491 175.535 176.094 -0.114 0.000 1.147 276 V CA -0.253 61.947 62.300 -0.167 0.000 0.951 276 V CB 2.014 33.677 31.823 -0.266 0.000 1.031 276 V HN 1.372 nan 8.190 nan 0.000 0.426 277 V N 6.189 126.103 119.914 -0.000 0.000 2.347 277 V HA 0.844 4.964 4.120 0.000 0.000 0.280 277 V C 0.458 176.625 176.094 0.123 0.000 1.021 277 V CA 0.081 62.437 62.300 0.094 0.000 0.847 277 V CB 1.273 33.147 31.823 0.084 0.000 0.990 277 V HN 1.170 nan 8.190 nan 0.000 0.444 278 A N 4.226 127.120 122.820 0.122 0.000 2.330 278 A HA 0.923 5.243 4.320 0.000 0.000 0.327 278 A C -0.116 177.504 177.584 0.060 0.000 1.155 278 A CA -0.390 51.737 52.037 0.150 0.000 0.803 278 A CB 1.240 20.380 19.000 0.233 0.000 1.208 278 A HN 0.762 nan 8.150 nan 0.000 0.477 279 S N -0.078 115.481 115.700 -0.235 0.000 2.556 279 S HA 0.947 5.417 4.470 0.000 0.000 0.271 279 S C 0.138 174.085 174.600 -1.088 0.000 1.135 279 S CA -0.059 57.691 58.200 -0.751 0.000 0.858 279 S CB 2.034 65.101 63.200 -0.222 0.000 1.114 279 S HN 2.068 nan 8.310 nan 0.000 0.468 280 G N 1.064 108.952 108.800 -1.520 0.000 2.512 280 G HA2 0.401 4.361 3.960 0.000 0.000 0.181 280 G HA3 0.401 4.361 3.960 0.000 0.000 0.181 280 G C -2.184 172.269 174.900 -0.745 0.000 1.173 280 G CA -0.688 43.599 45.100 -1.355 0.000 0.988 280 G HN 0.607 nan 8.290 nan 0.000 0.485 281 E N -0.691 119.327 120.200 -0.304 0.000 2.277 281 E HA 0.588 4.938 4.350 0.000 0.000 0.266 281 E C -1.476 175.223 176.600 0.166 0.000 0.901 281 E CA -0.846 55.556 56.400 0.005 0.000 0.782 281 E CB 2.986 32.667 29.700 -0.031 0.000 1.228 281 E HN 0.393 nan 8.360 nan 0.000 0.424 282 L N 3.059 124.352 121.223 0.116 0.000 2.296 282 L HA 0.455 4.795 4.340 0.000 0.000 0.286 282 L C -0.942 175.920 176.870 -0.013 0.000 1.023 282 L CA -0.635 54.199 54.840 -0.011 0.000 0.812 282 L CB 1.354 43.377 42.059 -0.061 0.000 1.223 282 L HN 0.419 nan 8.230 nan 0.000 0.421 283 V N 3.137 123.041 119.914 -0.016 0.000 3.001 283 V HA 0.677 4.797 4.120 0.000 0.000 0.314 283 V C -0.447 175.675 176.094 0.048 0.000 1.099 283 V CA -0.764 61.555 62.300 0.032 0.000 0.989 283 V CB 1.984 33.824 31.823 0.028 0.000 1.040 283 V HN 0.680 nan 8.190 nan 0.000 0.434 284 I N 2.537 123.172 120.570 0.109 0.000 2.441 284 I HA 0.620 4.790 4.170 0.000 0.000 0.295 284 I C 0.080 176.267 176.117 0.117 0.000 0.994 284 I CA -0.651 60.738 61.300 0.148 0.000 1.144 284 I CB 1.871 40.030 38.000 0.265 0.000 1.314 284 I HN 0.734 nan 8.210 nan 0.000 0.445 285 R N 4.690 125.240 120.500 0.083 0.000 2.460 285 R HA 0.351 4.691 4.340 0.000 0.000 0.303 285 R C -0.507 175.825 176.300 0.054 0.000 0.968 285 R CA -0.609 55.520 56.100 0.048 0.000 0.889 285 R CB 1.195 31.500 30.300 0.009 0.000 1.123 285 R HN 0.582 nan 8.270 nan 0.000 0.455 286 E N 1.618 121.850 120.200 0.052 0.000 2.442 286 E HA -0.022 4.328 4.350 0.000 0.000 0.262 286 E C 0.037 176.647 176.600 0.017 0.000 1.004 286 E CA 0.503 56.935 56.400 0.053 0.000 0.928 286 E CB 0.884 30.625 29.700 0.069 0.000 0.937 286 E HN 0.702 nan 8.360 nan 0.000 0.446 287 A N 2.846 125.674 122.820 0.013 0.000 2.508 287 A HA 0.435 4.755 4.320 0.000 0.000 0.250 287 A C 0.786 178.349 177.584 -0.035 0.000 1.208 287 A CA 0.454 52.469 52.037 -0.036 0.000 0.960 287 A CB 0.143 19.082 19.000 -0.102 0.000 1.099 287 A HN 0.829 nan 8.150 nan 0.000 0.542 288 G N -0.546 108.266 108.800 0.021 0.000 2.796 288 G HA2 -0.215 3.745 3.960 0.000 0.000 0.226 288 G HA3 -0.215 3.745 3.960 0.000 0.000 0.226 288 G C 0.664 175.586 174.900 0.037 0.000 1.381 288 G CA -0.146 44.968 45.100 0.025 0.000 0.867 288 G HN 0.530 nan 8.290 nan 0.000 0.552 289 L N 0.265 121.505 121.223 0.029 0.000 2.083 289 L HA -0.034 4.306 4.340 0.000 0.000 0.209 289 L C 2.659 179.537 176.870 0.013 0.000 1.083 289 L CA 2.390 57.254 54.840 0.040 0.000 0.752 289 L CB -0.427 41.647 42.059 0.024 0.000 0.899 289 L HN 0.819 nan 8.230 nan 0.000 0.433 290 D N -1.044 119.332 120.400 -0.040 0.000 2.355 290 D HA -0.004 4.636 4.640 0.000 0.000 0.218 290 D C 1.553 177.732 176.300 -0.203 0.000 1.004 290 D CA 0.762 54.711 54.000 -0.085 0.000 0.880 290 D CB -0.142 40.622 40.800 -0.059 0.000 0.911 290 D HN 0.233 nan 8.370 nan 0.000 0.528 291 G N 0.492 109.093 108.800 -0.332 0.000 2.168 291 G HA2 -0.368 3.592 3.960 0.000 0.000 0.263 291 G HA3 -0.368 3.592 3.960 0.000 0.000 0.263 291 G C 0.867 175.602 174.900 -0.275 0.000 0.977 291 G CA 0.625 45.388 45.100 -0.561 0.000 0.659 291 G HN 0.484 nan 8.290 nan 0.000 0.533 292 K N -0.267 120.036 120.400 -0.163 0.000 2.501 292 K HA 0.174 4.494 4.320 0.000 0.000 0.204 292 K C -0.089 176.469 176.600 -0.069 0.000 1.067 292 K CA 0.160 56.386 56.287 -0.103 0.000 1.060 292 K CB 1.121 33.572 32.500 -0.081 0.000 0.873 292 K HN 0.234 nan 8.250 nan 0.000 0.540 293 T N 3.636 118.151 114.554 -0.064 0.000 3.053 293 T HA 0.261 4.611 4.350 0.000 0.000 0.363 293 T C -2.749 171.932 174.700 -0.032 0.000 1.239 293 T CA -1.643 60.434 62.100 -0.038 0.000 1.071 293 T CB 1.365 70.219 68.868 -0.024 0.000 1.089 293 T HN -0.122 nan 8.240 nan 0.000 0.527 294 P HA 0.296 nan 4.420 nan 0.000 0.264 294 P C 0.469 177.752 177.300 -0.028 0.000 1.193 294 P CA 0.268 63.350 63.100 -0.029 0.000 0.763 294 P CB 0.853 32.535 31.700 -0.031 0.000 0.810 295 G N 3.022 111.805 108.800 -0.027 0.000 3.356 295 G HA2 0.402 4.362 3.960 0.000 0.000 0.178 295 G HA3 0.402 4.362 3.960 0.000 0.000 0.178 295 G C -0.494 174.356 174.900 -0.084 0.000 1.175 295 G CA -0.445 44.631 45.100 -0.041 0.000 0.840 295 G HN 0.275 nan 8.290 nan 0.000 0.658 296 R N -0.928 119.492 120.500 -0.133 0.000 2.560 296 R HA 0.534 4.874 4.340 0.000 0.000 0.270 296 R C -0.304 175.896 176.300 -0.167 0.000 1.074 296 R CA -0.295 55.645 56.100 -0.267 0.000 1.140 296 R CB 1.476 31.403 30.300 -0.622 0.000 1.073 296 R HN 0.165 nan 8.270 nan 0.000 0.527 297 V N 3.334 123.137 119.914 -0.185 0.000 2.498 297 V HA 0.209 4.329 4.120 0.000 0.000 0.279 297 V C -0.561 175.549 176.094 0.026 0.000 1.048 297 V CA -0.492 61.774 62.300 -0.057 0.000 0.967 297 V CB 1.171 32.967 31.823 -0.045 0.000 0.988 297 V HN 0.409 nan 8.190 nan 0.000 0.473 298 L N 5.328 126.645 121.223 0.157 0.000 2.295 298 L HA 0.506 4.846 4.340 0.000 0.000 0.281 298 L C 0.225 177.218 176.870 0.206 0.000 1.018 298 L CA 0.449 55.462 54.840 0.289 0.000 0.841 298 L CB 1.503 43.779 42.059 0.361 0.000 1.218 298 L HN 0.650 nan 8.230 nan 0.000 0.424 299 S N 1.904 117.715 115.700 0.185 0.000 2.528 299 S HA 0.316 4.786 4.470 0.000 0.000 0.277 299 S C 1.201 175.875 174.600 0.124 0.000 1.297 299 S CA 0.255 58.529 58.200 0.124 0.000 1.052 299 S CB 0.607 63.871 63.200 0.108 0.000 0.917 299 S HN 0.851 nan 8.310 nan 0.000 0.492 300 T N 0.885 115.483 114.554 0.074 0.000 3.018 300 T HA 0.336 4.686 4.350 0.000 0.000 0.246 300 T C 0.457 175.042 174.700 -0.192 0.000 1.026 300 T CA 0.464 62.606 62.100 0.071 0.000 1.081 300 T CB -0.169 68.802 68.868 0.171 0.000 0.970 300 T HN 0.788 nan 8.240 nan 0.000 0.475 301 S N 0.043 115.575 115.700 -0.280 0.000 2.615 301 S HA 0.659 5.129 4.470 0.000 0.000 0.268 301 S C -1.389 173.086 174.600 -0.208 0.000 1.146 301 S CA -1.279 56.602 58.200 -0.531 0.000 0.818 301 S CB 0.946 63.360 63.200 -1.310 0.000 1.111 301 S HN 0.316 nan 8.310 nan 0.000 0.465 302 L N 1.228 122.342 121.223 -0.182 0.000 2.387 302 L HA 0.886 5.226 4.340 0.000 0.000 0.266 302 L C -0.570 176.321 176.870 0.035 0.000 1.059 302 L CA -0.957 53.853 54.840 -0.050 0.000 0.801 302 L CB 0.898 42.926 42.059 -0.051 0.000 1.223 302 L HN 0.868 nan 8.230 nan 0.000 0.456 303 F N -0.937 118.968 119.950 -0.076 0.000 2.645 303 F HA 0.764 5.291 4.527 0.000 0.000 0.310 303 F C -0.764 175.011 175.800 -0.043 0.000 1.102 303 F CA -0.847 57.105 58.000 -0.081 0.000 0.952 303 F CB 1.890 40.886 39.000 -0.007 0.000 1.326 303 F HN 0.322 nan 8.300 nan 0.000 0.456 304 S N 1.861 117.558 115.700 -0.004 0.000 2.614 304 S HA 0.618 5.088 4.470 0.000 0.000 0.275 304 S C -1.666 172.999 174.600 0.109 0.000 1.161 304 S CA -0.681 57.503 58.200 -0.027 0.000 0.969 304 S CB 1.295 64.476 63.200 -0.031 0.000 1.059 304 S HN 1.081 nan 8.310 nan 0.000 0.482 305 R N 3.659 124.248 120.500 0.149 0.000 2.513 305 R HA 0.457 4.797 4.340 0.000 0.000 0.301 305 R C -1.780 174.571 176.300 0.084 0.000 0.968 305 R CA -0.673 55.452 56.100 0.042 0.000 0.872 305 R CB 0.982 31.220 30.300 -0.104 0.000 1.177 305 R HN 0.681 nan 8.270 nan 0.000 0.444 306 W N 4.772 126.041 121.300 -0.051 0.000 2.390 306 W HA 0.357 5.017 4.660 0.000 0.000 0.312 306 W C -1.004 175.527 176.519 0.019 0.000 1.123 306 W CA -0.179 57.157 57.345 -0.015 0.000 1.202 306 W CB 1.139 30.595 29.460 -0.007 0.000 1.251 306 W HN 0.579 nan 8.180 nan 0.000 0.511 307 E N 6.264 125.865 120.200 -0.999 0.000 2.343 307 E HA 0.210 4.560 4.350 0.000 0.000 0.270 307 E C -1.874 173.833 176.600 -1.489 0.000 0.895 307 E CA -1.973 53.810 56.400 -1.028 0.000 0.767 307 E CB 2.803 32.314 29.700 -0.315 0.000 1.248 307 E HN 0.202 nan 8.360 nan 0.000 0.440 308 P HA -0.108 nan 4.420 nan 0.000 0.226 308 P C 0.071 177.217 177.300 -0.257 0.000 1.153 308 P CA 0.705 63.503 63.100 -0.503 0.000 0.777 308 P CB 0.429 32.020 31.700 -0.181 0.000 0.794 309 K N 0.000 120.268 120.400 -0.220 0.000 2.780 309 K HA 0.000 4.320 4.320 0.000 0.000 0.191 309 K CA 0.000 56.231 56.287 -0.093 0.000 0.838 309 K CB 0.000 32.474 32.500 -0.044 0.000 1.064 309 K HN 0.000 nan 8.250 nan 0.000 0.543