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 2r4e_1_B DATA FIRST_RESID 1 DATA SEQUENCE METKDLIVIG GGINGAGIAA DAAGRGLSVL MLEAQDLACA TSSASSKLIH DATA SEQUENCE GGLRYLEHYE FRLVSEALAE REVLLKMAPH IAFPMRFRLP HRPHLRPAWM DATA SEQUENCE IRIGLFMYDH LGKRTSLPGS TGLRFGANSV LKPEIKRGFE YSDCWVDDAR DATA SEQUENCE LVLANAQMVV RKGGEVLTRT RATSARRENG LWIVEAEDID TGKKYSWQAR DATA SEQUENCE GLVNATGPWV KQFFDDGMHL PSPYGIRLIK GSHIVVPRVH TQKQAYILQN DATA SEQUENCE EDKRIVFVIP WMDEFSIIGT TDVEYKGDPK AVKIEESEIN YLLNVYNTHF DATA SEQUENCE KKQLSRDDIV WTYSGVRPLC DDESDSPQAI TRDYTLDIHD ENGKAPLLSV DATA SEQUENCE FGGKLTTYRK LAEHALEKLT PYYQGIGPAW TKESVLPGGA IEGDRDDYAA DATA SEQUENCE RLRRRYPFLT ESLARHYART YGSNSELLLG NAGTVSDLGE DFGHEFYEAE DATA SEQUENCE LKYLVDHEWV RRADDALWRR TKQGMWLNAD QQSRVSQWLV EYTQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.360 176.300 0.099 0.000 1.140 1 M CA 0.000 55.344 55.300 0.073 0.000 0.988 1 M CB 0.000 32.640 32.600 0.066 0.000 1.302 2 E N 1.079 121.343 120.200 0.108 0.000 2.169 2 E HA -0.109 4.250 4.350 0.015 0.000 0.202 2 E C -0.330 176.378 176.600 0.179 0.000 1.016 2 E CA 1.697 58.188 56.400 0.151 0.000 0.817 2 E CB 0.258 30.032 29.700 0.124 0.000 0.736 2 E HN 0.744 nan 8.360 nan 0.000 0.462 3 T N 2.744 117.381 114.554 0.139 0.000 2.738 3 T HA 0.118 4.477 4.350 0.015 0.000 0.294 3 T C -0.258 174.519 174.700 0.128 0.000 0.914 3 T CA -0.388 61.798 62.100 0.143 0.000 1.052 3 T CB 0.845 69.787 68.868 0.123 0.000 0.897 3 T HN -0.056 nan 8.240 nan 0.000 0.522 4 K N 3.084 123.561 120.400 0.128 0.000 2.237 4 K HA 0.164 4.493 4.320 0.015 0.000 0.270 4 K C 0.785 177.457 176.600 0.120 0.000 1.015 4 K CA -0.547 55.787 56.287 0.077 0.000 0.949 4 K CB 0.973 33.475 32.500 0.004 0.000 0.976 4 K HN 0.442 nan 8.250 nan 0.000 0.472 5 D N 0.501 120.966 120.400 0.107 0.000 2.084 5 D HA -0.103 4.546 4.640 0.015 0.000 0.196 5 D C 0.243 176.667 176.300 0.206 0.000 0.985 5 D CA 1.215 55.342 54.000 0.212 0.000 0.826 5 D CB 0.162 41.003 40.800 0.069 0.000 0.978 5 D HN 0.172 nan 8.370 nan 0.000 0.456 6 L N 0.248 121.489 121.223 0.029 0.000 2.436 6 L HA 0.404 4.753 4.340 0.015 0.000 0.268 6 L C -1.403 175.409 176.870 -0.097 0.000 0.974 6 L CA -0.442 54.391 54.840 -0.011 0.000 0.826 6 L CB 1.975 43.972 42.059 -0.104 0.000 1.291 6 L HN -0.184 nan 8.230 nan 0.000 0.406 7 I N 5.377 125.870 120.570 -0.129 0.000 2.354 7 I HA 0.445 4.624 4.170 0.015 0.000 0.292 7 I C -0.721 175.245 176.117 -0.252 0.000 0.989 7 I CA -0.921 60.242 61.300 -0.228 0.000 1.188 7 I CB 1.844 39.699 38.000 -0.241 0.000 1.342 7 I HN 0.245 nan 8.210 nan 0.000 0.457 8 V N 7.735 127.489 119.914 -0.267 0.000 2.347 8 V HA 0.383 4.512 4.120 0.015 0.000 0.280 8 V C 0.138 176.042 176.094 -0.318 0.000 1.021 8 V CA -0.429 61.714 62.300 -0.263 0.000 0.847 8 V CB 1.515 33.207 31.823 -0.218 0.000 0.990 8 V HN 0.476 nan 8.190 nan 0.000 0.444 9 I N 4.834 125.184 120.570 -0.367 0.000 2.304 9 I HA 0.714 4.893 4.170 0.015 0.000 0.291 9 I C 0.714 176.600 176.117 -0.386 0.000 1.018 9 I CA 0.137 61.173 61.300 -0.440 0.000 1.260 9 I CB 1.217 38.821 38.000 -0.661 0.000 1.390 9 I HN 0.838 nan 8.210 nan 0.000 0.475 10 G N 3.651 112.248 108.800 -0.338 0.000 3.239 10 G HA2 0.164 4.133 3.960 0.015 0.000 0.666 10 G HA3 0.164 4.133 3.960 0.015 0.000 0.666 10 G C -0.238 174.514 174.900 -0.246 0.000 1.313 10 G CA -0.493 44.442 45.100 -0.274 0.000 1.001 10 G HN 0.924 nan 8.290 nan 0.000 0.573 11 G N 0.488 109.149 108.800 -0.232 0.000 4.432 11 G HA2 0.696 4.665 3.960 0.015 0.000 0.294 11 G HA3 0.696 4.665 3.960 0.015 0.000 0.294 11 G C 0.757 175.543 174.900 -0.190 0.000 1.141 11 G CA 0.941 45.901 45.100 -0.233 0.000 0.895 11 G HN 1.258 nan 8.290 nan 0.000 0.548 12 G N 0.061 108.767 108.800 -0.156 0.000 2.510 12 G HA2 0.363 4.332 3.960 0.015 0.000 0.280 12 G HA3 0.363 4.332 3.960 0.015 0.000 0.280 12 G C 1.031 175.831 174.900 -0.167 0.000 1.386 12 G CA -0.446 44.574 45.100 -0.133 0.000 1.047 12 G HN 0.090 nan 8.290 nan 0.000 0.527 13 I N 0.128 120.593 120.570 -0.176 0.000 2.208 13 I HA -0.168 4.011 4.170 0.015 0.000 0.245 13 I C 2.186 178.187 176.117 -0.194 0.000 1.097 13 I CA 1.334 62.476 61.300 -0.263 0.000 1.363 13 I CB -0.287 37.534 38.000 -0.299 0.000 1.051 13 I HN 0.388 nan 8.210 nan 0.000 0.413 14 N N 0.452 119.083 118.700 -0.115 0.000 2.250 14 N HA -0.041 4.708 4.740 0.015 0.000 0.181 14 N C 1.893 177.350 175.510 -0.088 0.000 1.017 14 N CA 1.336 54.343 53.050 -0.071 0.000 0.866 14 N CB -0.649 37.788 38.487 -0.083 0.000 0.985 14 N HN 0.517 nan 8.380 nan 0.000 0.429 15 G N 0.820 109.545 108.800 -0.125 0.000 2.408 15 G HA2 -0.116 3.853 3.960 0.015 0.000 0.217 15 G HA3 -0.116 3.853 3.960 0.015 0.000 0.217 15 G C 1.658 176.471 174.900 -0.144 0.000 1.150 15 G CA 0.980 45.992 45.100 -0.146 0.000 0.776 15 G HN 0.407 nan 8.290 nan 0.000 0.542 16 A N 0.878 123.602 122.820 -0.160 0.000 1.930 16 A HA 0.209 4.538 4.320 0.015 0.000 0.217 16 A C 2.686 180.218 177.584 -0.087 0.000 1.175 16 A CA 1.931 53.872 52.037 -0.160 0.000 0.627 16 A CB -0.968 17.911 19.000 -0.202 0.000 0.815 16 A HN 0.481 nan 8.150 nan 0.000 0.443 17 G N 0.018 108.793 108.800 -0.043 0.000 2.422 17 G HA2 -0.181 3.788 3.960 0.015 0.000 0.218 17 G HA3 -0.181 3.788 3.960 0.015 0.000 0.218 17 G C 1.507 176.429 174.900 0.038 0.000 1.146 17 G CA 1.179 46.354 45.100 0.124 0.000 0.769 17 G HN 0.479 nan 8.290 nan 0.000 0.547 18 I N 1.137 121.697 120.570 -0.016 0.000 2.286 18 I HA -0.059 4.120 4.170 0.015 0.000 0.245 18 I C 3.253 179.351 176.117 -0.032 0.000 1.104 18 I CA 0.826 62.105 61.300 -0.036 0.000 1.397 18 I CB -0.167 37.799 38.000 -0.056 0.000 1.072 18 I HN 0.219 nan 8.210 nan 0.000 0.417 19 A N 0.753 123.539 122.820 -0.057 0.000 1.978 19 A HA -0.179 4.150 4.320 0.015 0.000 0.220 19 A C 2.477 180.063 177.584 0.003 0.000 1.170 19 A CA 1.989 53.989 52.037 -0.063 0.000 0.636 19 A CB -0.719 18.212 19.000 -0.115 0.000 0.810 19 A HN 0.445 nan 8.150 nan 0.000 0.448 20 A N -0.466 122.380 122.820 0.042 0.000 1.874 20 A HA -0.110 4.219 4.320 0.015 0.000 0.214 20 A C 1.968 179.728 177.584 0.293 0.000 1.189 20 A CA 1.669 53.792 52.037 0.144 0.000 0.615 20 A CB -0.573 18.505 19.000 0.131 0.000 0.830 20 A HN 0.477 nan 8.150 nan 0.000 0.443 21 D N 0.381 120.880 120.400 0.165 0.000 2.103 21 D HA -0.169 4.480 4.640 0.015 0.000 0.190 21 D C 2.193 178.681 176.300 0.313 0.000 0.997 21 D CA 1.932 56.050 54.000 0.198 0.000 0.833 21 D CB -0.366 40.401 40.800 -0.055 0.000 0.961 21 D HN 0.290 nan 8.370 nan 0.000 0.447 22 A N 1.143 124.035 122.820 0.120 0.000 1.869 22 A HA -0.196 4.133 4.320 0.015 0.000 0.218 22 A C 2.513 180.118 177.584 0.035 0.000 1.203 22 A CA 3.469 55.529 52.037 0.039 0.000 0.638 22 A CB -1.304 17.662 19.000 -0.057 0.000 0.831 22 A HN 0.388 nan 8.150 nan 0.000 0.450 23 A N -0.920 121.926 122.820 0.043 0.000 1.948 23 A HA 0.068 4.397 4.320 0.015 0.000 0.220 23 A C 2.252 179.809 177.584 -0.046 0.000 1.177 23 A CA 1.959 53.995 52.037 -0.000 0.000 0.636 23 A CB -1.300 17.706 19.000 0.011 0.000 0.815 23 A HN 1.020 nan 8.150 nan 0.000 0.449 24 G N -1.537 107.267 108.800 0.007 0.000 2.956 24 G HA2 0.096 4.065 3.960 0.015 0.000 0.207 24 G HA3 0.096 4.065 3.960 0.015 0.000 0.207 24 G C 1.191 175.812 174.900 -0.465 0.000 1.162 24 G CA 0.127 44.943 45.100 -0.473 0.000 0.796 24 G HN 0.550 nan 8.290 nan 0.000 0.527 25 R N -0.791 119.646 120.500 -0.104 0.000 2.543 25 R HA 0.275 4.624 4.340 0.015 0.000 0.323 25 R C 1.469 177.727 176.300 -0.070 0.000 1.002 25 R CA 0.321 56.389 56.100 -0.054 0.000 1.106 25 R CB 0.802 31.145 30.300 0.072 0.000 1.280 25 R HN 0.250 nan 8.270 nan 0.000 0.549 26 G N 1.376 110.117 108.800 -0.099 0.000 2.176 26 G HA2 -0.256 3.713 3.960 0.015 0.000 0.253 26 G HA3 -0.256 3.713 3.960 0.015 0.000 0.253 26 G C 0.209 175.072 174.900 -0.062 0.000 0.979 26 G CA -0.264 44.792 45.100 -0.074 0.000 0.641 26 G HN 0.135 nan 8.290 nan 0.000 0.530 27 L N 1.886 123.052 121.223 -0.094 0.000 2.456 27 L HA 0.391 4.740 4.340 0.015 0.000 0.272 27 L C 1.267 178.087 176.870 -0.084 0.000 1.189 27 L CA 0.390 55.151 54.840 -0.132 0.000 0.846 27 L CB 0.899 42.794 42.059 -0.273 0.000 1.111 27 L HN 0.440 nan 8.230 nan 0.000 0.475 28 S N 2.043 117.712 115.700 -0.052 0.000 2.448 28 S HA 0.451 4.930 4.470 0.015 0.000 0.279 28 S C -0.340 174.221 174.600 -0.066 0.000 1.195 28 S CA -0.890 57.287 58.200 -0.038 0.000 1.051 28 S CB 0.838 64.037 63.200 -0.002 0.000 0.948 28 S HN 0.308 nan 8.310 nan 0.000 0.493 29 V N 4.535 124.399 119.914 -0.082 0.000 2.459 29 V HA 0.561 4.690 4.120 0.015 0.000 0.295 29 V C -0.358 175.644 176.094 -0.154 0.000 1.029 29 V CA -0.861 61.369 62.300 -0.116 0.000 0.874 29 V CB 1.363 33.123 31.823 -0.104 0.000 0.985 29 V HN 0.882 nan 8.190 nan 0.000 0.438 30 L N 5.540 126.626 121.223 -0.228 0.000 2.349 30 L HA 0.685 5.034 4.340 0.015 0.000 0.278 30 L C -0.579 176.086 176.870 -0.342 0.000 0.996 30 L CA -0.216 54.427 54.840 -0.329 0.000 0.825 30 L CB 1.473 43.218 42.059 -0.523 0.000 1.243 30 L HN 0.780 nan 8.230 nan 0.000 0.412 31 M N 5.918 125.326 119.600 -0.320 0.000 2.268 31 M HA 0.516 5.005 4.480 0.015 0.000 0.344 31 M C -1.787 174.296 176.300 -0.362 0.000 1.106 31 M CA -0.546 54.564 55.300 -0.318 0.000 1.010 31 M CB 1.127 33.556 32.600 -0.286 0.000 1.649 31 M HN 0.590 nan 8.290 nan 0.000 0.443 32 L N 3.683 124.688 121.223 -0.363 0.000 2.322 32 L HA 0.540 4.889 4.340 0.015 0.000 0.281 32 L C -0.798 175.886 176.870 -0.310 0.000 1.014 32 L CA -0.711 53.921 54.840 -0.348 0.000 0.815 32 L CB 1.894 43.744 42.059 -0.349 0.000 1.247 32 L HN 0.617 nan 8.230 nan 0.000 0.421 33 E N 1.878 121.911 120.200 -0.279 0.000 2.224 33 E HA 0.499 4.858 4.350 0.015 0.000 0.265 33 E C 0.080 176.552 176.600 -0.213 0.000 0.878 33 E CA -0.371 55.874 56.400 -0.258 0.000 0.759 33 E CB 2.086 31.630 29.700 -0.261 0.000 1.164 33 E HN 0.585 nan 8.360 nan 0.000 0.414 34 A N 4.268 126.945 122.820 -0.238 0.000 1.969 34 A HA -0.125 4.204 4.320 0.015 0.000 0.218 34 A C 1.561 179.057 177.584 -0.147 0.000 1.169 34 A CA 1.742 53.657 52.037 -0.203 0.000 0.635 34 A CB -0.154 18.671 19.000 -0.291 0.000 0.810 34 A HN 0.703 nan 8.150 nan 0.000 0.445 35 Q N -1.606 118.104 119.800 -0.151 0.000 1.989 35 Q HA 0.190 4.539 4.340 0.015 0.000 0.166 35 Q C -0.927 175.039 176.000 -0.057 0.000 0.536 35 Q CA -0.101 55.650 55.803 -0.086 0.000 0.651 35 Q CB 0.506 29.195 28.738 -0.083 0.000 1.468 35 Q HN 0.419 nan 8.270 nan 0.000 0.350 36 D N -0.091 120.281 120.400 -0.047 0.000 2.350 36 D HA 0.366 5.015 4.640 0.015 0.000 0.238 36 D C -0.778 175.482 176.300 -0.066 0.000 0.989 36 D CA -0.554 53.433 54.000 -0.022 0.000 0.921 36 D CB 1.261 42.082 40.800 0.035 0.000 1.297 36 D HN 0.317 nan 8.370 nan 0.000 0.490 37 L N 1.889 123.064 121.223 -0.079 0.000 2.559 37 L HA 0.205 4.554 4.340 0.015 0.000 0.282 37 L C 1.392 178.224 176.870 -0.064 0.000 1.232 37 L CA 0.437 55.208 54.840 -0.115 0.000 0.885 37 L CB 0.161 42.146 42.059 -0.124 0.000 1.131 37 L HN 0.784 nan 8.230 nan 0.000 0.498 38 A N 1.650 124.419 122.820 -0.084 0.000 2.829 38 A HA -0.282 4.047 4.320 0.015 0.000 0.267 38 A C 1.657 179.228 177.584 -0.021 0.000 1.370 38 A CA 1.155 53.158 52.037 -0.057 0.000 0.900 38 A CB -2.360 16.607 19.000 -0.056 0.000 1.044 38 A HN 1.141 nan 8.150 nan 0.000 0.691 39 C N -2.688 116.602 119.300 -0.017 0.000 2.422 39 C HA 0.423 4.892 4.460 0.015 0.000 0.286 39 C C 1.988 177.002 174.990 0.039 0.000 1.412 39 C CA 0.937 59.962 59.018 0.011 0.000 1.786 39 C CB -1.667 26.073 27.740 -0.001 0.000 1.835 39 C HN 1.777 nan 8.230 nan 0.000 0.533 40 A N 1.219 124.073 122.820 0.056 0.000 3.132 40 A HA 0.437 4.766 4.320 0.015 0.000 0.202 40 A C 1.905 179.516 177.584 0.044 0.000 1.689 40 A CA 0.799 52.902 52.037 0.111 0.000 1.770 40 A CB -1.040 18.146 19.000 0.310 0.000 1.510 40 A HN 0.276 nan 8.150 nan 0.000 0.470 41 T N 0.962 115.542 114.554 0.043 0.000 2.788 41 T HA -0.080 4.279 4.350 0.015 0.000 0.268 41 T C 1.847 176.533 174.700 -0.023 0.000 1.044 41 T CA 1.918 64.016 62.100 -0.004 0.000 1.139 41 T CB -0.342 68.518 68.868 -0.013 0.000 0.867 41 T HN 0.348 nan 8.240 nan 0.000 0.454 42 S N 1.512 117.192 115.700 -0.035 0.000 2.547 42 S HA -0.018 4.461 4.470 0.015 0.000 0.235 42 S C 2.011 176.560 174.600 -0.085 0.000 0.980 42 S CA 0.844 59.002 58.200 -0.071 0.000 0.941 42 S CB -0.237 62.907 63.200 -0.094 0.000 0.763 42 S HN 0.724 nan 8.310 nan 0.000 0.532 43 S N -0.188 115.471 115.700 -0.068 0.000 2.578 43 S HA 0.528 5.007 4.470 0.015 0.000 0.231 43 S C 0.856 175.357 174.600 -0.165 0.000 0.994 43 S CA 0.002 58.147 58.200 -0.093 0.000 0.956 43 S CB 0.546 63.725 63.200 -0.036 0.000 0.870 43 S HN 0.343 nan 8.310 nan 0.000 0.494 44 A N 1.586 124.351 122.820 -0.092 0.000 2.594 44 A HA 0.628 4.957 4.320 0.015 0.000 0.287 44 A C 0.899 178.555 177.584 0.119 0.000 1.227 44 A CA -0.053 51.991 52.037 0.012 0.000 0.952 44 A CB -0.135 18.901 19.000 0.061 0.000 1.161 44 A HN 0.572 nan 8.150 nan 0.000 0.524 45 S N -1.113 114.575 115.700 -0.020 0.000 2.694 45 S HA 0.368 4.847 4.470 0.015 0.000 0.278 45 S C 0.830 175.357 174.600 -0.121 0.000 1.152 45 S CA 0.329 58.523 58.200 -0.011 0.000 1.010 45 S CB 1.023 64.181 63.200 -0.070 0.000 1.104 45 S HN 0.118 nan 8.310 nan 0.000 0.547 46 S N 0.197 115.856 115.700 -0.067 0.000 2.603 46 S HA 0.183 4.662 4.470 0.015 0.000 0.220 46 S C -0.122 174.324 174.600 -0.257 0.000 0.967 46 S CA -0.082 58.057 58.200 -0.102 0.000 0.920 46 S CB -0.758 62.479 63.200 0.061 0.000 0.773 46 S HN 0.757 nan 8.310 nan 0.000 0.529 47 K N 0.535 120.733 120.400 -0.337 0.000 3.117 47 K HA -0.149 4.180 4.320 0.015 0.000 0.269 47 K C -0.936 175.253 176.600 -0.685 0.000 1.098 47 K CA 0.474 56.399 56.287 -0.604 0.000 0.785 47 K CB -1.896 30.100 32.500 -0.839 0.000 1.242 47 K HN 0.353 nan 8.250 nan 0.000 0.491 48 L N 0.743 121.731 121.223 -0.391 0.000 2.346 48 L HA 0.533 4.882 4.340 0.015 0.000 0.276 48 L C 0.274 177.090 176.870 -0.089 0.000 1.006 48 L CA -1.046 53.631 54.840 -0.272 0.000 0.817 48 L CB 1.502 43.312 42.059 -0.415 0.000 1.272 48 L HN 0.044 nan 8.230 nan 0.000 0.421 49 I N 3.825 124.373 120.570 -0.037 0.000 2.287 49 I HA 0.242 4.421 4.170 0.015 0.000 0.290 49 I C -0.288 175.906 176.117 0.127 0.000 1.069 49 I CA -0.400 60.930 61.300 0.050 0.000 1.237 49 I CB -0.008 37.998 38.000 0.010 0.000 1.418 49 I HN 0.584 nan 8.210 nan 0.000 0.481 50 H N 3.736 122.792 119.070 -0.022 0.000 2.747 50 H HA 0.471 5.037 4.556 0.015 0.000 0.371 50 H C 0.532 175.887 175.328 0.045 0.000 1.161 50 H CA -1.181 54.871 56.048 0.007 0.000 1.167 50 H CB 1.450 31.182 29.762 -0.051 0.000 1.732 50 H HN 0.459 nan 8.280 nan 0.000 0.544 51 G N 0.031 108.825 108.800 -0.009 0.000 2.421 51 G HA2 0.233 4.203 3.960 0.015 0.000 0.217 51 G HA3 0.233 4.203 3.960 0.015 0.000 0.217 51 G C 0.804 175.654 174.900 -0.085 0.000 1.143 51 G CA 0.247 45.251 45.100 -0.160 0.000 0.784 51 G HN 1.435 nan 8.290 nan 0.000 0.541 52 G N -0.382 108.397 108.800 -0.035 0.000 2.919 52 G HA2 -0.165 3.804 3.960 0.015 0.000 0.225 52 G HA3 -0.165 3.804 3.960 0.015 0.000 0.225 52 G C 0.627 175.402 174.900 -0.208 0.000 1.117 52 G CA 0.124 45.007 45.100 -0.362 0.000 1.033 52 G HN 0.310 nan 8.290 nan 0.000 0.532 53 L N 0.890 122.058 121.223 -0.092 0.000 1.990 53 L HA -0.147 4.202 4.340 0.015 0.000 0.213 53 L C 3.161 179.884 176.870 -0.246 0.000 1.072 53 L CA 2.967 57.628 54.840 -0.299 0.000 0.755 53 L CB -0.287 41.352 42.059 -0.700 0.000 0.889 53 L HN 0.800 nan 8.230 nan 0.000 0.432 54 R N -1.353 118.974 120.500 -0.287 0.000 2.200 54 R HA -0.225 4.124 4.340 0.015 0.000 0.234 54 R C 1.895 178.177 176.300 -0.029 0.000 1.127 54 R CA 1.667 57.653 56.100 -0.190 0.000 0.989 54 R CB -0.760 29.453 30.300 -0.146 0.000 0.869 54 R HN 0.350 nan 8.270 nan 0.000 0.459 55 Y N 0.698 121.028 120.300 0.050 0.000 2.373 55 Y HA -0.007 4.552 4.550 0.015 0.000 0.293 55 Y C 2.058 177.929 175.900 -0.049 0.000 1.129 55 Y CA -0.379 57.756 58.100 0.058 0.000 1.226 55 Y CB -0.580 37.902 38.460 0.037 0.000 1.000 55 Y HN -0.052 nan 8.280 nan 0.000 0.549 56 L N 0.788 122.058 121.223 0.079 0.000 2.010 56 L HA -0.286 4.063 4.340 0.015 0.000 0.219 56 L C 2.217 178.947 176.870 -0.234 0.000 1.077 56 L CA 1.698 56.550 54.840 0.020 0.000 0.773 56 L CB -1.304 40.807 42.059 0.086 0.000 0.892 56 L HN 0.296 nan 8.230 nan 0.000 0.436 57 E N -1.371 118.643 120.200 -0.310 0.000 2.253 57 E HA -0.267 4.092 4.350 0.015 0.000 0.202 57 E C 1.329 177.422 176.600 -0.844 0.000 1.014 57 E CA 1.649 57.720 56.400 -0.550 0.000 0.823 57 E CB -0.135 29.262 29.700 -0.504 0.000 0.736 57 E HN 0.682 nan 8.360 nan 0.000 0.478 58 H N -2.255 116.547 119.070 -0.446 0.000 2.594 58 H HA 0.128 4.693 4.556 0.015 0.000 0.279 58 H C -0.637 174.471 175.328 -0.367 0.000 1.042 58 H CA -0.104 55.728 56.048 -0.359 0.000 1.177 58 H CB 0.307 29.983 29.762 -0.142 0.000 1.524 58 H HN 0.158 nan 8.280 nan 0.000 0.537 59 Y N -0.385 119.749 120.300 -0.276 0.000 4.272 59 Y HA -0.248 4.311 4.550 0.015 0.000 0.232 59 Y C 0.139 175.491 175.900 -0.913 0.000 1.149 59 Y CA 0.021 57.643 58.100 -0.797 0.000 1.961 59 Y CB -1.745 36.440 38.460 -0.458 0.000 1.611 59 Y HN 0.402 nan 8.280 nan 0.000 0.682 60 E N 0.815 120.764 120.200 -0.418 0.000 2.515 60 E HA 0.072 4.431 4.350 0.015 0.000 0.315 60 E C 0.658 177.198 176.600 -0.099 0.000 1.523 60 E CA 0.014 56.290 56.400 -0.206 0.000 1.704 60 E CB -0.448 29.203 29.700 -0.082 0.000 1.395 60 E HN 0.447 nan 8.360 nan 0.000 0.490 61 F N 0.717 120.727 119.950 0.100 0.000 2.171 61 F HA -0.176 4.360 4.527 0.015 0.000 0.300 61 F C 2.482 178.305 175.800 0.039 0.000 1.090 61 F CA 1.092 59.138 58.000 0.077 0.000 1.293 61 F CB -0.635 38.417 39.000 0.086 0.000 1.013 61 F HN 0.278 nan 8.300 nan 0.000 0.486 62 R N 0.720 121.313 120.500 0.155 0.000 2.092 62 R HA -0.099 4.250 4.340 0.015 0.000 0.231 62 R C 2.100 178.431 176.300 0.052 0.000 1.119 62 R CA 1.339 57.488 56.100 0.081 0.000 0.970 62 R CB -1.026 29.287 30.300 0.022 0.000 0.864 62 R HN 0.339 nan 8.270 nan 0.000 0.440 63 L N 1.202 122.442 121.223 0.028 0.000 1.988 63 L HA -0.095 4.254 4.340 0.015 0.000 0.207 63 L C 2.235 179.146 176.870 0.070 0.000 1.071 63 L CA 1.705 56.563 54.840 0.031 0.000 0.744 63 L CB -0.446 41.604 42.059 -0.016 0.000 0.893 63 L HN 0.235 nan 8.230 nan 0.000 0.433 64 V N -0.433 119.548 119.914 0.111 0.000 2.392 64 V HA -0.272 3.857 4.120 0.015 0.000 0.249 64 V C 2.894 179.000 176.094 0.020 0.000 1.059 64 V CA 1.849 64.210 62.300 0.101 0.000 1.051 64 V CB -0.652 31.282 31.823 0.184 0.000 0.658 64 V HN 0.536 nan 8.190 nan 0.000 0.455 65 S N -0.567 115.169 115.700 0.059 0.000 2.345 65 S HA -0.251 4.228 4.470 0.015 0.000 0.220 65 S C 2.121 176.719 174.600 -0.003 0.000 1.031 65 S CA 1.894 60.108 58.200 0.022 0.000 0.996 65 S CB -0.269 62.970 63.200 0.064 0.000 0.882 65 S HN 0.723 nan 8.310 nan 0.000 0.445 66 E N 0.426 120.641 120.200 0.025 0.000 2.058 66 E HA -0.158 4.201 4.350 0.015 0.000 0.194 66 E C 2.085 178.679 176.600 -0.011 0.000 0.997 66 E CA 1.234 57.648 56.400 0.022 0.000 0.801 66 E CB -0.462 29.281 29.700 0.071 0.000 0.746 66 E HN 0.598 nan 8.360 nan 0.000 0.450 67 A N 1.002 123.814 122.820 -0.013 0.000 1.873 67 A HA -0.146 4.183 4.320 0.015 0.000 0.215 67 A C 2.245 179.778 177.584 -0.086 0.000 1.186 67 A CA 1.285 53.297 52.037 -0.043 0.000 0.616 67 A CB -0.788 18.183 19.000 -0.048 0.000 0.823 67 A HN 0.323 nan 8.150 nan 0.000 0.442 68 L N -0.665 120.475 121.223 -0.138 0.000 2.013 68 L HA -0.277 4.072 4.340 0.015 0.000 0.212 68 L C 3.041 179.838 176.870 -0.121 0.000 1.073 68 L CA 1.420 56.140 54.840 -0.200 0.000 0.753 68 L CB -0.498 41.374 42.059 -0.311 0.000 0.890 68 L HN 0.454 nan 8.230 nan 0.000 0.432 69 A N -1.112 121.655 122.820 -0.089 0.000 2.014 69 A HA -0.129 4.201 4.320 0.015 0.000 0.218 69 A C 2.146 179.696 177.584 -0.057 0.000 1.163 69 A CA 1.039 53.038 52.037 -0.063 0.000 0.652 69 A CB -0.238 18.734 19.000 -0.047 0.000 0.808 69 A HN 0.330 nan 8.150 nan 0.000 0.449 70 E N 0.157 120.319 120.200 -0.062 0.000 2.274 70 E HA -0.100 4.259 4.350 0.015 0.000 0.194 70 E C 2.027 178.601 176.600 -0.044 0.000 0.996 70 E CA 0.344 56.703 56.400 -0.069 0.000 0.840 70 E CB -0.260 29.385 29.700 -0.093 0.000 0.772 70 E HN 0.611 nan 8.360 nan 0.000 0.491 71 R N 0.814 121.294 120.500 -0.033 0.000 2.112 71 R HA -0.181 4.168 4.340 0.015 0.000 0.242 71 R C 2.146 178.449 176.300 0.006 0.000 1.137 71 R CA 1.675 57.772 56.100 -0.005 0.000 0.944 71 R CB -0.182 30.119 30.300 0.003 0.000 0.857 71 R HN 0.256 nan 8.270 nan 0.000 0.435 72 E N -0.059 120.140 120.200 -0.002 0.000 2.216 72 E HA -0.074 4.285 4.350 0.015 0.000 0.192 72 E C 2.079 178.681 176.600 0.004 0.000 0.988 72 E CA 0.723 57.129 56.400 0.010 0.000 0.834 72 E CB 0.166 29.871 29.700 0.008 0.000 0.772 72 E HN 0.115 nan 8.360 nan 0.000 0.479 73 V N 1.901 121.804 119.914 -0.018 0.000 2.287 73 V HA -0.271 3.858 4.120 0.015 0.000 0.248 73 V C 2.300 178.387 176.094 -0.013 0.000 1.053 73 V CA 1.535 63.817 62.300 -0.030 0.000 1.027 73 V CB -0.434 31.346 31.823 -0.070 0.000 0.646 73 V HN 0.290 nan 8.190 nan 0.000 0.447 74 L N -0.931 120.289 121.223 -0.005 0.000 2.072 74 L HA -0.116 4.233 4.340 0.015 0.000 0.205 74 L C 2.437 179.336 176.870 0.048 0.000 1.079 74 L CA 1.276 56.134 54.840 0.029 0.000 0.752 74 L CB -0.644 41.441 42.059 0.043 0.000 0.906 74 L HN 0.298 nan 8.230 nan 0.000 0.436 75 L N 0.063 121.315 121.223 0.049 0.000 2.137 75 L HA -0.252 4.097 4.340 0.015 0.000 0.213 75 L C 2.672 179.588 176.870 0.077 0.000 1.085 75 L CA 1.387 56.270 54.840 0.073 0.000 0.760 75 L CB -0.480 41.626 42.059 0.078 0.000 0.893 75 L HN 0.322 nan 8.230 nan 0.000 0.434 76 K N -0.692 119.743 120.400 0.058 0.000 2.211 76 K HA 0.035 4.364 4.320 0.015 0.000 0.201 76 K C 2.042 178.682 176.600 0.066 0.000 1.052 76 K CA 0.814 57.136 56.287 0.059 0.000 0.973 76 K CB -0.026 32.499 32.500 0.041 0.000 0.766 76 K HN 0.329 nan 8.250 nan 0.000 0.466 77 M N 0.532 120.168 119.600 0.061 0.000 2.175 77 M HA -0.084 4.405 4.480 0.015 0.000 0.264 77 M C 1.062 177.436 176.300 0.124 0.000 1.063 77 M CA 1.343 56.689 55.300 0.077 0.000 1.119 77 M CB 0.080 32.717 32.600 0.062 0.000 1.377 77 M HN 0.012 nan 8.290 nan 0.000 0.415 78 A N -0.158 122.739 122.820 0.129 0.000 3.308 78 A HA 0.352 4.681 4.320 0.015 0.000 0.275 78 A C -2.029 175.646 177.584 0.151 0.000 0.950 78 A CA -0.890 51.253 52.037 0.177 0.000 0.987 78 A CB -0.176 18.867 19.000 0.071 0.000 1.146 78 A HN 0.105 nan 8.150 nan 0.000 0.488 79 P HA -0.163 nan 4.420 nan 0.000 0.233 79 P C 1.039 178.455 177.300 0.193 0.000 1.167 79 P CA 1.069 64.269 63.100 0.167 0.000 0.770 79 P CB -0.214 31.565 31.700 0.131 0.000 0.837 80 H N 1.109 120.209 119.070 0.051 0.000 2.423 80 H HA -0.026 4.539 4.556 0.015 0.000 0.297 80 H C 1.603 177.008 175.328 0.129 0.000 1.075 80 H CA 1.232 57.306 56.048 0.044 0.000 1.342 80 H CB -0.975 28.772 29.762 -0.026 0.000 1.395 80 H HN 0.284 nan 8.280 nan 0.000 0.530 81 I N -2.600 117.814 120.570 -0.260 0.000 4.240 81 I HA 0.660 4.839 4.170 0.015 0.000 0.331 81 I C 0.515 176.741 176.117 0.181 0.000 1.381 81 I CA -0.503 60.751 61.300 -0.076 0.000 1.136 81 I CB 0.766 38.574 38.000 -0.320 0.000 1.137 81 I HN 0.227 nan 8.210 nan 0.000 0.411 82 A N 1.982 124.912 122.820 0.184 0.000 2.386 82 A HA 0.875 5.204 4.320 0.015 0.000 0.311 82 A C -0.995 176.794 177.584 0.340 0.000 1.068 82 A CA -0.437 51.707 52.037 0.177 0.000 0.743 82 A CB 1.330 20.359 19.000 0.049 0.000 1.258 82 A HN 0.415 nan 8.150 nan 0.000 0.429 83 F N -0.316 119.760 119.950 0.210 0.000 2.693 83 F HA 0.772 5.308 4.527 0.015 0.000 0.309 83 F C -3.242 172.668 175.800 0.182 0.000 1.129 83 F CA -2.660 55.440 58.000 0.167 0.000 0.948 83 F CB 0.871 39.953 39.000 0.138 0.000 1.315 83 F HN 0.292 nan 8.300 nan 0.000 0.447 84 P HA 0.268 nan 4.420 nan 0.000 0.269 84 P C -0.922 176.549 177.300 0.284 0.000 1.209 84 P CA -0.016 63.231 63.100 0.246 0.000 0.776 84 P CB 0.991 32.814 31.700 0.204 0.000 0.876 85 M N 2.026 121.755 119.600 0.216 0.000 2.550 85 M HA 0.448 4.937 4.480 0.015 0.000 0.292 85 M C -1.082 175.265 176.300 0.077 0.000 1.221 85 M CA -0.780 54.591 55.300 0.119 0.000 0.873 85 M CB 2.156 34.770 32.600 0.023 0.000 1.727 85 M HN 0.073 nan 8.290 nan 0.000 0.459 86 R N 2.236 122.673 120.500 -0.106 0.000 2.460 86 R HA 0.567 4.916 4.340 0.015 0.000 0.303 86 R C -1.824 174.236 176.300 -0.399 0.000 0.968 86 R CA -0.287 55.752 56.100 -0.102 0.000 0.889 86 R CB 1.109 31.377 30.300 -0.052 0.000 1.123 86 R HN 0.557 nan 8.270 nan 0.000 0.455 87 F N 1.690 121.423 119.950 -0.362 0.000 2.467 87 F HA 0.476 5.012 4.527 0.015 0.000 0.336 87 F C 0.800 176.423 175.800 -0.294 0.000 1.123 87 F CA -0.766 57.000 58.000 -0.391 0.000 0.964 87 F CB 1.426 40.025 39.000 -0.668 0.000 1.136 87 F HN 0.081 nan 8.300 nan 0.000 0.447 88 R N 3.154 123.569 120.500 -0.142 0.000 2.229 88 R HA 0.477 4.826 4.340 0.015 0.000 0.332 88 R C -1.213 175.159 176.300 0.119 0.000 0.989 88 R CA -0.973 55.069 56.100 -0.096 0.000 0.842 88 R CB 1.444 31.432 30.300 -0.519 0.000 1.119 88 R HN 0.466 nan 8.270 nan 0.000 0.456 89 L N 6.063 127.478 121.223 0.321 0.000 2.270 89 L HA 0.405 4.754 4.340 0.015 0.000 0.286 89 L C -2.493 174.648 176.870 0.453 0.000 1.059 89 L CA -2.279 52.789 54.840 0.380 0.000 0.839 89 L CB 0.829 43.142 42.059 0.423 0.000 1.221 89 L HN 0.382 nan 8.230 nan 0.000 0.431 90 P HA 0.036 nan 4.420 nan 0.000 0.268 90 P C -1.026 176.500 177.300 0.377 0.000 1.205 90 P CA 0.085 63.384 63.100 0.333 0.000 0.771 90 P CB 0.291 32.098 31.700 0.178 0.000 0.858 91 H N 4.358 123.588 119.070 0.266 0.000 2.620 91 H HA 0.269 4.835 4.556 0.015 0.000 0.313 91 H C -0.079 175.337 175.328 0.147 0.000 1.075 91 H CA -0.252 55.948 56.048 0.254 0.000 1.397 91 H CB 0.570 30.463 29.762 0.218 0.000 1.446 91 H HN 0.316 nan 8.280 nan 0.000 0.493 92 R N 6.385 126.704 120.500 -0.301 0.000 2.644 92 R HA 0.152 4.501 4.340 0.015 0.000 0.271 92 R C -2.093 173.961 176.300 -0.409 0.000 1.687 92 R CA -1.556 54.389 56.100 -0.258 0.000 1.655 92 R CB 1.335 31.549 30.300 -0.144 0.000 1.285 92 R HN 0.581 nan 8.270 nan 0.000 0.643 93 P HA -0.254 nan 4.420 nan 0.000 0.219 93 P C 1.086 178.323 177.300 -0.105 0.000 1.146 93 P CA 1.370 64.272 63.100 -0.330 0.000 0.808 93 P CB -0.071 31.578 31.700 -0.086 0.000 0.779 94 H N -0.216 118.781 119.070 -0.121 0.000 2.541 94 H HA -0.026 4.539 4.556 0.015 0.000 0.289 94 H C 1.418 176.701 175.328 -0.076 0.000 1.054 94 H CA 0.829 56.832 56.048 -0.075 0.000 1.250 94 H CB -0.573 29.152 29.762 -0.062 0.000 1.369 94 H HN 0.202 nan 8.280 nan 0.000 0.578 95 L N -0.523 120.422 121.223 -0.463 0.000 2.433 95 L HA 0.300 4.649 4.340 0.015 0.000 0.200 95 L C 0.722 177.439 176.870 -0.254 0.000 1.059 95 L CA 0.129 54.716 54.840 -0.421 0.000 0.835 95 L CB 0.457 42.233 42.059 -0.472 0.000 1.076 95 L HN -0.044 nan 8.230 nan 0.000 0.481 96 R N 0.505 120.855 120.500 -0.249 0.000 2.533 96 R HA 0.331 4.680 4.340 0.015 0.000 0.288 96 R C -2.669 173.497 176.300 -0.224 0.000 1.039 96 R CA -1.643 54.311 56.100 -0.243 0.000 0.909 96 R CB 2.290 32.447 30.300 -0.238 0.000 1.195 96 R HN -0.151 nan 8.270 nan 0.000 0.438 97 P HA 0.073 nan 4.420 nan 0.000 0.275 97 P C 0.164 177.341 177.300 -0.206 0.000 1.228 97 P CA -0.059 62.895 63.100 -0.243 0.000 0.786 97 P CB 1.277 32.699 31.700 -0.462 0.000 0.927 98 A N 4.310 127.247 122.820 0.196 0.000 1.917 98 A HA -0.177 4.152 4.320 0.015 0.000 0.219 98 A C 2.046 179.651 177.584 0.035 0.000 1.182 98 A CA 1.785 53.938 52.037 0.194 0.000 0.633 98 A CB -1.892 17.190 19.000 0.137 0.000 0.819 98 A HN 0.849 nan 8.150 nan 0.000 0.448 99 W N -0.856 120.488 121.300 0.074 0.000 2.350 99 W HA -0.181 4.488 4.660 0.015 0.000 0.289 99 W C 1.903 178.420 176.519 -0.003 0.000 1.215 99 W CA 1.391 58.755 57.345 0.031 0.000 1.236 99 W CB -0.835 28.644 29.460 0.031 0.000 1.130 99 W HN 0.381 nan 8.180 nan 0.000 0.541 100 M N 0.865 120.024 119.600 -0.736 0.000 2.123 100 M HA -0.169 4.320 4.480 0.015 0.000 0.263 100 M C 2.111 178.195 176.300 -0.361 0.000 1.069 100 M CA 1.589 56.458 55.300 -0.717 0.000 1.133 100 M CB -0.433 31.524 32.600 -1.070 0.000 1.356 100 M HN -0.189 nan 8.290 nan 0.000 0.415 101 I N 0.803 121.133 120.570 -0.401 0.000 2.118 101 I HA -0.333 3.846 4.170 0.015 0.000 0.241 101 I C 2.394 178.283 176.117 -0.380 0.000 1.070 101 I CA 1.763 62.773 61.300 -0.483 0.000 1.327 101 I CB -1.579 35.905 38.000 -0.859 0.000 1.034 101 I HN 0.406 nan 8.210 nan 0.000 0.405 102 R N 0.334 120.680 120.500 -0.257 0.000 2.117 102 R HA -0.158 4.191 4.340 0.015 0.000 0.243 102 R C 2.201 178.525 176.300 0.040 0.000 1.143 102 R CA 1.337 57.407 56.100 -0.050 0.000 0.968 102 R CB -0.198 30.154 30.300 0.087 0.000 0.863 102 R HN 0.386 nan 8.270 nan 0.000 0.444 103 I N -0.692 119.906 120.570 0.047 0.000 2.406 103 I HA -0.054 4.125 4.170 0.015 0.000 0.249 103 I C 2.439 178.633 176.117 0.128 0.000 1.122 103 I CA 1.199 62.565 61.300 0.110 0.000 1.431 103 I CB -1.281 36.791 38.000 0.120 0.000 1.087 103 I HN 0.249 nan 8.210 nan 0.000 0.424 104 G N 2.036 110.843 108.800 0.011 0.000 2.446 104 G HA2 -0.210 3.759 3.960 0.015 0.000 0.217 104 G HA3 -0.210 3.759 3.960 0.015 0.000 0.217 104 G C 1.643 176.548 174.900 0.008 0.000 1.168 104 G CA 0.416 45.511 45.100 -0.008 0.000 0.771 104 G HN 0.140 nan 8.290 nan 0.000 0.551 105 L N -0.063 121.125 121.223 -0.059 0.000 2.012 105 L HA 0.005 4.354 4.340 0.015 0.000 0.210 105 L C 2.486 179.431 176.870 0.125 0.000 1.073 105 L CA 1.255 56.080 54.840 -0.025 0.000 0.748 105 L CB -1.424 40.607 42.059 -0.046 0.000 0.891 105 L HN 0.321 nan 8.230 nan 0.000 0.431 106 F N 0.015 120.009 119.950 0.073 0.000 2.065 106 F HA -0.336 4.200 4.527 0.015 0.000 0.298 106 F C 2.545 178.473 175.800 0.213 0.000 1.112 106 F CA 1.889 59.995 58.000 0.177 0.000 1.212 106 F CB -0.151 38.952 39.000 0.172 0.000 0.975 106 F HN 0.042 nan 8.300 nan 0.000 0.476 107 M N -1.291 118.511 119.600 0.336 0.000 2.080 107 M HA -0.262 4.227 4.480 0.015 0.000 0.260 107 M C 2.145 178.476 176.300 0.052 0.000 1.068 107 M CA 1.907 57.320 55.300 0.189 0.000 1.109 107 M CB -1.026 31.705 32.600 0.218 0.000 1.342 107 M HN 0.234 nan 8.290 nan 0.000 0.405 108 Y N 1.730 121.984 120.300 -0.076 0.000 2.151 108 Y HA -0.320 4.240 4.550 0.015 0.000 0.284 108 Y C 2.102 177.889 175.900 -0.188 0.000 1.166 108 Y CA 2.003 60.026 58.100 -0.129 0.000 1.163 108 Y CB -0.421 37.924 38.460 -0.191 0.000 0.974 108 Y HN 0.294 nan 8.280 nan 0.000 0.511 109 D N -1.792 118.487 120.400 -0.201 0.000 2.178 109 D HA -0.163 4.486 4.640 0.015 0.000 0.201 109 D C 1.692 177.540 176.300 -0.754 0.000 0.980 109 D CA 1.806 55.484 54.000 -0.536 0.000 0.842 109 D CB -0.215 40.154 40.800 -0.719 0.000 0.948 109 D HN 0.578 nan 8.370 nan 0.000 0.472 110 H N -1.266 117.629 119.070 -0.293 0.000 3.058 110 H HA 0.137 4.702 4.556 0.015 0.000 0.258 110 H C 1.852 177.075 175.328 -0.175 0.000 1.015 110 H CA -0.371 55.510 56.048 -0.279 0.000 1.210 110 H CB 0.479 29.969 29.762 -0.453 0.000 1.481 110 H HN -0.008 nan 8.280 nan 0.000 0.492 111 L N 1.414 122.591 121.223 -0.077 0.000 2.129 111 L HA -0.044 4.305 4.340 0.015 0.000 0.212 111 L C 1.229 178.061 176.870 -0.063 0.000 1.087 111 L CA 1.419 56.225 54.840 -0.057 0.000 0.757 111 L CB -0.920 41.114 42.059 -0.041 0.000 0.896 111 L HN 0.220 nan 8.230 nan 0.000 0.434 112 G N -3.326 105.413 108.800 -0.102 0.000 2.569 112 G HA2 0.445 4.414 3.960 0.015 0.000 0.300 112 G HA3 0.445 4.414 3.960 0.015 0.000 0.300 112 G C 0.488 175.342 174.900 -0.077 0.000 1.269 112 G CA -0.459 44.593 45.100 -0.081 0.000 0.959 112 G HN -0.233 nan 8.290 nan 0.000 0.478 113 K N -0.333 120.038 120.400 -0.049 0.000 2.439 113 K HA -0.277 4.052 4.320 0.015 0.000 0.187 113 K C 1.101 177.683 176.600 -0.029 0.000 0.678 113 K CA 2.219 58.486 56.287 -0.032 0.000 0.931 113 K CB -0.432 32.053 32.500 -0.024 0.000 0.424 113 K HN 0.851 nan 8.250 nan 0.000 0.974 114 R N 0.957 121.434 120.500 -0.038 0.000 2.371 114 R HA 0.324 4.674 4.340 0.015 0.000 0.312 114 R C 0.216 176.510 176.300 -0.010 0.000 0.980 114 R CA 0.077 56.156 56.100 -0.035 0.000 0.867 114 R CB 0.991 31.256 30.300 -0.058 0.000 1.163 114 R HN 0.117 nan 8.270 nan 0.000 0.492 115 T N 1.282 115.836 114.554 0.000 0.000 2.969 115 T HA -0.091 4.268 4.350 0.015 0.000 0.271 115 T C 0.678 175.391 174.700 0.021 0.000 1.127 115 T CA 1.908 64.015 62.100 0.012 0.000 1.102 115 T CB 0.057 68.933 68.868 0.013 0.000 0.855 115 T HN 0.681 nan 8.240 nan 0.000 0.536 116 S N -1.321 114.393 115.700 0.024 0.000 3.050 116 S HA 0.310 4.789 4.470 0.015 0.000 0.261 116 S C 0.170 174.798 174.600 0.047 0.000 1.057 116 S CA -0.491 57.732 58.200 0.037 0.000 1.012 116 S CB 0.369 63.595 63.200 0.044 0.000 0.919 116 S HN 0.194 nan 8.310 nan 0.000 0.429 117 L N 3.765 125.017 121.223 0.049 0.000 2.416 117 L HA 0.295 4.644 4.340 0.015 0.000 0.272 117 L C -2.042 174.865 176.870 0.061 0.000 1.161 117 L CA -1.726 53.155 54.840 0.068 0.000 0.845 117 L CB 0.021 42.127 42.059 0.079 0.000 1.119 117 L HN 0.104 nan 8.230 nan 0.000 0.464 118 P HA 0.044 nan 4.420 nan 0.000 0.282 118 P C 0.270 177.611 177.300 0.069 0.000 1.294 118 P CA 0.389 63.532 63.100 0.072 0.000 0.852 118 P CB 0.349 32.102 31.700 0.088 0.000 1.287 119 G N -2.819 106.025 108.800 0.075 0.000 2.401 119 G HA2 0.370 4.339 3.960 0.015 0.000 0.068 119 G HA3 0.370 4.339 3.960 0.015 0.000 0.068 119 G C -0.650 174.315 174.900 0.107 0.000 0.911 119 G CA 0.699 45.851 45.100 0.087 0.000 1.242 119 G HN 1.022 nan 8.290 nan 0.000 0.504 120 S N -0.763 115.024 115.700 0.145 0.000 2.791 120 S HA 0.470 4.949 4.470 0.015 0.000 0.855 120 S C -0.440 174.260 174.600 0.166 0.000 0.833 120 S CA 1.186 59.499 58.200 0.189 0.000 1.520 120 S CB -1.331 61.979 63.200 0.183 0.000 1.092 120 S HN 2.702 nan 8.310 nan 0.000 0.298 121 T N 2.629 117.292 114.554 0.182 0.000 2.821 121 T HA 0.827 5.186 4.350 0.015 0.000 0.306 121 T C 0.490 175.268 174.700 0.130 0.000 1.313 121 T CA -0.233 61.944 62.100 0.129 0.000 1.012 121 T CB 1.098 70.009 68.868 0.071 0.000 1.298 121 T HN 1.781 nan 8.240 nan 0.000 0.502 122 G N -0.091 108.731 108.800 0.036 0.000 2.511 122 G HA2 0.752 4.721 3.960 0.015 0.000 0.316 122 G HA3 0.752 4.721 3.960 0.015 0.000 0.316 122 G C -1.256 173.518 174.900 -0.210 0.000 1.210 122 G CA -1.133 43.897 45.100 -0.117 0.000 0.969 122 G HN 0.896 nan 8.290 nan 0.000 0.492 123 L N -0.612 120.379 121.223 -0.385 0.000 2.505 123 L HA 0.519 4.869 4.340 0.015 0.000 0.259 123 L C -0.440 176.059 176.870 -0.618 0.000 0.952 123 L CA -0.876 53.671 54.840 -0.488 0.000 0.840 123 L CB 2.700 44.380 42.059 -0.631 0.000 1.358 123 L HN 0.502 nan 8.230 nan 0.000 0.409 124 R N 1.319 121.480 120.500 -0.566 0.000 2.711 124 R HA 0.719 5.068 4.340 0.015 0.000 0.284 124 R C -1.639 174.315 176.300 -0.577 0.000 0.968 124 R CA -0.673 55.141 56.100 -0.477 0.000 0.924 124 R CB 2.091 32.255 30.300 -0.227 0.000 1.162 124 R HN 0.231 nan 8.270 nan 0.000 0.465 125 F N 0.191 120.118 119.950 -0.038 0.000 2.467 125 F HA 0.499 5.035 4.527 0.015 0.000 0.336 125 F C 0.916 176.702 175.800 -0.024 0.000 1.123 125 F CA -0.545 57.441 58.000 -0.023 0.000 0.964 125 F CB 1.948 40.936 39.000 -0.020 0.000 1.136 125 F HN 0.622 nan 8.300 nan 0.000 0.447 126 G N 0.770 109.650 108.800 0.134 0.000 2.702 126 G HA2 0.504 4.473 3.960 0.015 0.000 0.254 126 G HA3 0.504 4.473 3.960 0.015 0.000 0.254 126 G C 0.704 175.644 174.900 0.068 0.000 1.380 126 G CA -0.278 44.866 45.100 0.073 0.000 1.042 126 G HN 0.750 nan 8.290 nan 0.000 0.557 127 A N -0.668 122.176 122.820 0.040 0.000 2.121 127 A HA 0.021 4.351 4.320 0.015 0.000 0.218 127 A C 1.634 179.236 177.584 0.030 0.000 1.154 127 A CA 1.148 53.202 52.037 0.028 0.000 0.679 127 A CB -0.206 18.805 19.000 0.018 0.000 0.795 127 A HN 0.396 nan 8.150 nan 0.000 0.458 128 N N 0.067 118.792 118.700 0.041 0.000 2.238 128 N HA 0.059 4.808 4.740 0.015 0.000 0.222 128 N C 0.525 176.070 175.510 0.058 0.000 1.133 128 N CA 0.659 53.734 53.050 0.043 0.000 0.854 128 N CB 0.286 38.797 38.487 0.039 0.000 1.041 128 N HN 0.581 nan 8.380 nan 0.000 0.510 129 S N -0.577 115.165 115.700 0.070 0.000 2.640 129 S HA 0.182 4.661 4.470 0.015 0.000 0.262 129 S C 1.612 176.225 174.600 0.022 0.000 1.232 129 S CA -0.299 57.955 58.200 0.091 0.000 0.988 129 S CB 0.722 64.025 63.200 0.171 0.000 1.034 129 S HN -0.031 nan 8.310 nan 0.000 0.569 130 V N -1.715 118.183 119.914 -0.026 0.000 3.354 130 V HA 0.370 4.499 4.120 0.015 0.000 0.258 130 V C 0.647 176.636 176.094 -0.176 0.000 1.159 130 V CA 0.103 62.393 62.300 -0.017 0.000 1.125 130 V CB -1.183 30.676 31.823 0.060 0.000 0.774 130 V HN 0.626 nan 8.190 nan 0.000 0.464 131 L N 1.032 122.021 121.223 -0.390 0.000 2.418 131 L HA 0.377 4.726 4.340 0.015 0.000 0.265 131 L C 0.567 177.261 176.870 -0.294 0.000 1.143 131 L CA -0.483 54.026 54.840 -0.553 0.000 0.809 131 L CB 0.552 42.168 42.059 -0.738 0.000 1.124 131 L HN 0.067 nan 8.230 nan 0.000 0.456 132 K N 2.308 122.541 120.400 -0.278 0.000 2.469 132 K HA 0.013 4.343 4.320 0.015 0.000 0.274 132 K C -1.423 175.103 176.600 -0.124 0.000 0.983 132 K CA -1.033 55.154 56.287 -0.167 0.000 0.974 132 K CB 0.492 32.891 32.500 -0.168 0.000 0.913 132 K HN 0.342 nan 8.250 nan 0.000 0.493 133 P HA -0.252 nan 4.420 nan 0.000 0.218 133 P C 0.747 178.030 177.300 -0.028 0.000 1.148 133 P CA 1.417 64.496 63.100 -0.035 0.000 0.822 133 P CB 0.059 31.745 31.700 -0.022 0.000 0.784 134 E N 0.329 120.500 120.200 -0.049 0.000 2.401 134 E HA -0.115 4.244 4.350 0.015 0.000 0.199 134 E C 0.634 177.216 176.600 -0.031 0.000 1.023 134 E CA 0.505 56.881 56.400 -0.040 0.000 0.859 134 E CB -0.699 28.966 29.700 -0.059 0.000 0.780 134 E HN 0.327 nan 8.360 nan 0.000 0.523 135 I N 2.130 122.669 120.570 -0.052 0.000 2.312 135 I HA 0.115 4.294 4.170 0.015 0.000 0.291 135 I C 1.057 177.235 176.117 0.101 0.000 1.031 135 I CA -0.314 60.977 61.300 -0.014 0.000 1.293 135 I CB 1.098 39.019 38.000 -0.131 0.000 1.403 135 I HN -0.132 nan 8.210 nan 0.000 0.484 136 K N 5.626 126.127 120.400 0.168 0.000 2.440 136 K HA 0.301 4.630 4.320 0.015 0.000 0.207 136 K C 0.421 177.122 176.600 0.168 0.000 1.112 136 K CA -0.164 56.226 56.287 0.172 0.000 1.036 136 K CB 1.358 33.905 32.500 0.078 0.000 0.935 136 K HN 0.496 nan 8.250 nan 0.000 0.564 137 R N 0.047 120.685 120.500 0.230 0.000 2.771 137 R HA 0.547 4.896 4.340 0.015 0.000 0.274 137 R C -0.959 175.422 176.300 0.136 0.000 0.987 137 R CA -0.476 55.632 56.100 0.015 0.000 0.908 137 R CB 2.163 32.425 30.300 -0.063 0.000 1.213 137 R HN 0.149 nan 8.270 nan 0.000 0.468 138 G N 1.189 109.828 108.800 -0.268 0.000 2.619 138 G HA2 0.587 4.556 3.960 0.015 0.000 0.305 138 G HA3 0.587 4.556 3.960 0.015 0.000 0.305 138 G C -1.854 172.575 174.900 -0.786 0.000 1.330 138 G CA -0.618 44.409 45.100 -0.121 0.000 0.789 138 G HN 0.339 nan 8.290 nan 0.000 0.487 139 F N -0.735 119.308 119.950 0.155 0.000 2.626 139 F HA 0.744 5.280 4.527 0.015 0.000 0.311 139 F C -0.170 175.724 175.800 0.156 0.000 1.088 139 F CA -0.784 57.285 58.000 0.116 0.000 0.949 139 F CB 2.884 41.960 39.000 0.127 0.000 1.322 139 F HN 0.525 nan 8.300 nan 0.000 0.461 140 E N 1.195 121.594 120.200 0.332 0.000 2.292 140 E HA 0.520 4.879 4.350 0.015 0.000 0.272 140 E C -1.946 174.840 176.600 0.311 0.000 0.881 140 E CA -0.659 55.877 56.400 0.227 0.000 0.754 140 E CB 2.510 32.262 29.700 0.087 0.000 1.201 140 E HN 0.582 nan 8.360 nan 0.000 0.425 141 Y N -0.450 119.965 120.300 0.191 0.000 2.689 141 Y HA 0.665 5.224 4.550 0.015 0.000 0.333 141 Y C -1.051 175.009 175.900 0.268 0.000 1.190 141 Y CA -1.172 57.041 58.100 0.187 0.000 1.063 141 Y CB 1.007 39.546 38.460 0.130 0.000 1.294 141 Y HN 0.187 nan 8.280 nan 0.000 0.466 142 S N 1.646 117.574 115.700 0.380 0.000 2.541 142 S HA 0.553 5.032 4.470 0.015 0.000 0.283 142 S C -1.191 173.648 174.600 0.398 0.000 1.196 142 S CA -0.491 57.895 58.200 0.312 0.000 1.062 142 S CB 0.984 64.325 63.200 0.234 0.000 1.009 142 S HN 0.657 nan 8.310 nan 0.000 0.502 143 D N -0.329 120.284 120.400 0.356 0.000 2.958 143 D HA 0.572 5.221 4.640 0.015 0.000 0.306 143 D C -1.006 175.465 176.300 0.285 0.000 1.226 143 D CA -0.229 53.925 54.000 0.256 0.000 1.032 143 D CB 1.721 42.500 40.800 -0.035 0.000 1.400 143 D HN 0.537 nan 8.370 nan 0.000 0.587 144 C N -0.000 119.415 119.300 0.192 0.000 2.889 144 C HA 0.593 5.062 4.460 0.015 0.000 0.307 144 C C -0.950 174.084 174.990 0.072 0.000 1.251 144 C CA -0.835 58.256 59.018 0.122 0.000 1.593 144 C CB 1.263 29.038 27.740 0.057 0.000 2.104 144 C HN 0.644 nan 8.230 nan 0.000 0.476 145 W N 0.909 122.007 121.300 -0.335 0.000 2.551 145 W HA 0.719 5.388 4.660 0.015 0.000 0.330 145 W C -0.870 175.412 176.519 -0.396 0.000 1.063 145 W CA -0.332 56.752 57.345 -0.434 0.000 1.222 145 W CB 1.122 30.149 29.460 -0.721 0.000 1.349 145 W HN 0.559 nan 8.180 nan 0.000 0.536 146 V N 6.130 125.545 119.914 -0.831 0.000 2.925 146 V HA 0.253 4.382 4.120 0.015 0.000 0.311 146 V C -1.167 174.290 176.094 -1.061 0.000 1.104 146 V CA -0.756 61.164 62.300 -0.633 0.000 0.954 146 V CB 2.070 33.698 31.823 -0.324 0.000 1.022 146 V HN 0.472 nan 8.190 nan 0.000 0.427 147 D N 4.123 124.232 120.400 -0.485 0.000 2.435 147 D HA 0.099 4.748 4.640 0.015 0.000 0.230 147 D C 0.958 177.122 176.300 -0.227 0.000 1.215 147 D CA 0.137 53.985 54.000 -0.253 0.000 0.947 147 D CB 1.079 41.959 40.800 0.133 0.000 1.048 147 D HN 0.756 nan 8.370 nan 0.000 0.512 148 D N 3.180 123.400 120.400 -0.300 0.000 2.106 148 D HA -0.256 4.393 4.640 0.015 0.000 0.191 148 D C 1.684 177.893 176.300 -0.153 0.000 0.997 148 D CA 1.557 55.415 54.000 -0.236 0.000 0.834 148 D CB -0.624 40.029 40.800 -0.244 0.000 0.956 148 D HN 0.315 nan 8.370 nan 0.000 0.448 149 A N 0.402 123.168 122.820 -0.091 0.000 1.933 149 A HA -0.147 4.182 4.320 0.015 0.000 0.218 149 A C 2.351 179.919 177.584 -0.027 0.000 1.175 149 A CA 1.484 53.493 52.037 -0.045 0.000 0.628 149 A CB -0.536 18.471 19.000 0.012 0.000 0.814 149 A HN 0.201 nan 8.150 nan 0.000 0.444 150 R N -1.331 119.161 120.500 -0.014 0.000 2.148 150 R HA -0.001 4.348 4.340 0.015 0.000 0.223 150 R C 1.943 178.230 176.300 -0.022 0.000 1.088 150 R CA 0.948 57.056 56.100 0.012 0.000 0.985 150 R CB -0.438 29.872 30.300 0.015 0.000 0.880 150 R HN 0.480 nan 8.270 nan 0.000 0.451 151 L N 0.799 121.961 121.223 -0.101 0.000 2.046 151 L HA -0.144 4.205 4.340 0.015 0.000 0.208 151 L C 2.078 178.831 176.870 -0.196 0.000 1.077 151 L CA 1.504 56.253 54.840 -0.153 0.000 0.747 151 L CB -0.268 41.656 42.059 -0.225 0.000 0.896 151 L HN -0.134 nan 8.230 nan 0.000 0.432 152 V N -0.433 119.364 119.914 -0.195 0.000 2.295 152 V HA -0.282 3.847 4.120 0.015 0.000 0.246 152 V C 2.455 178.480 176.094 -0.115 0.000 1.049 152 V CA 1.731 63.911 62.300 -0.199 0.000 1.024 152 V CB -0.857 30.866 31.823 -0.168 0.000 0.648 152 V HN 0.493 nan 8.190 nan 0.000 0.447 153 L N 0.903 122.107 121.223 -0.032 0.000 2.042 153 L HA -0.193 4.156 4.340 0.015 0.000 0.210 153 L C 2.531 179.471 176.870 0.117 0.000 1.076 153 L CA 2.801 57.682 54.840 0.069 0.000 0.749 153 L CB -1.283 40.866 42.059 0.151 0.000 0.893 153 L HN 0.352 nan 8.230 nan 0.000 0.432 154 A N 0.211 123.093 122.820 0.102 0.000 1.908 154 A HA -0.250 4.079 4.320 0.015 0.000 0.218 154 A C 2.008 179.650 177.584 0.096 0.000 1.181 154 A CA 1.871 53.992 52.037 0.139 0.000 0.627 154 A CB -0.682 18.411 19.000 0.156 0.000 0.818 154 A HN 0.649 nan 8.150 nan 0.000 0.445 155 N N 0.086 118.793 118.700 0.012 0.000 2.188 155 N HA -0.087 4.662 4.740 0.015 0.000 0.184 155 N C 1.988 177.496 175.510 -0.003 0.000 1.018 155 N CA 1.253 54.303 53.050 -0.000 0.000 0.858 155 N CB -0.325 38.110 38.487 -0.087 0.000 0.989 155 N HN 0.482 nan 8.380 nan 0.000 0.426 156 A N 1.568 124.351 122.820 -0.061 0.000 1.933 156 A HA -0.180 4.149 4.320 0.015 0.000 0.218 156 A C 2.165 179.802 177.584 0.088 0.000 1.175 156 A CA 1.232 53.172 52.037 -0.162 0.000 0.628 156 A CB -0.503 18.191 19.000 -0.510 0.000 0.814 156 A HN 0.329 nan 8.150 nan 0.000 0.444 157 Q N -1.813 118.149 119.800 0.270 0.000 2.079 157 Q HA -0.188 4.161 4.340 0.015 0.000 0.200 157 Q C 2.131 178.267 176.000 0.227 0.000 0.974 157 Q CA 1.613 57.635 55.803 0.365 0.000 0.840 157 Q CB -0.285 28.625 28.738 0.287 0.000 0.898 157 Q HN 0.669 nan 8.270 nan 0.000 0.430 158 M N 0.474 120.178 119.600 0.173 0.000 2.080 158 M HA -0.177 4.312 4.480 0.015 0.000 0.260 158 M C 1.959 178.346 176.300 0.145 0.000 1.068 158 M CA 1.416 56.816 55.300 0.166 0.000 1.109 158 M CB -0.445 32.270 32.600 0.192 0.000 1.342 158 M HN 0.008 nan 8.290 nan 0.000 0.405 159 V N -0.791 119.190 119.914 0.111 0.000 2.218 159 V HA -0.377 3.752 4.120 0.015 0.000 0.251 159 V C 2.334 178.475 176.094 0.077 0.000 1.057 159 V CA 2.341 64.682 62.300 0.069 0.000 1.022 159 V CB -1.325 30.497 31.823 -0.001 0.000 0.645 159 V HN 0.450 nan 8.190 nan 0.000 0.451 160 V N 0.574 120.567 119.914 0.132 0.000 2.324 160 V HA -0.330 3.799 4.120 0.015 0.000 0.250 160 V C 2.674 178.827 176.094 0.099 0.000 1.060 160 V CA 2.708 65.098 62.300 0.151 0.000 1.042 160 V CB -0.888 31.102 31.823 0.280 0.000 0.650 160 V HN 0.730 nan 8.190 nan 0.000 0.450 161 R N 0.427 120.988 120.500 0.101 0.000 2.092 161 R HA -0.116 4.233 4.340 0.015 0.000 0.231 161 R C 1.720 178.036 176.300 0.027 0.000 1.119 161 R CA 1.394 57.533 56.100 0.065 0.000 0.970 161 R CB -0.232 30.114 30.300 0.076 0.000 0.864 161 R HN 0.205 nan 8.270 nan 0.000 0.440 162 K N 0.077 120.490 120.400 0.021 0.000 2.504 162 K HA 0.213 4.542 4.320 0.015 0.000 0.199 162 K C 0.643 177.227 176.600 -0.026 0.000 1.028 162 K CA 0.512 56.779 56.287 -0.033 0.000 1.164 162 K CB 0.405 32.870 32.500 -0.057 0.000 0.877 162 K HN 0.560 nan 8.250 nan 0.000 0.508 163 G N -0.045 108.756 108.800 0.000 0.000 2.175 163 G HA2 -0.232 3.737 3.960 0.015 0.000 0.244 163 G HA3 -0.232 3.737 3.960 0.015 0.000 0.244 163 G C 0.578 175.479 174.900 0.001 0.000 0.982 163 G CA 0.027 45.126 45.100 -0.001 0.000 0.641 163 G HN 0.570 nan 8.290 nan 0.000 0.527 164 G N -0.736 108.065 108.800 0.003 0.000 2.588 164 G HA2 0.559 4.528 3.960 0.015 0.000 0.281 164 G HA3 0.559 4.528 3.960 0.015 0.000 0.281 164 G C -0.322 174.581 174.900 0.005 0.000 1.236 164 G CA 0.321 45.412 45.100 -0.015 0.000 0.969 164 G HN 0.492 nan 8.290 nan 0.000 0.504 165 E N -1.541 118.638 120.200 -0.035 0.000 2.266 165 E HA 0.534 4.893 4.350 0.015 0.000 0.268 165 E C -1.520 175.032 176.600 -0.079 0.000 0.879 165 E CA -0.629 55.758 56.400 -0.021 0.000 0.762 165 E CB 2.421 32.083 29.700 -0.064 0.000 1.199 165 E HN 0.178 nan 8.360 nan 0.000 0.422 166 V N 5.268 125.171 119.914 -0.017 0.000 2.577 166 V HA 0.407 4.536 4.120 0.015 0.000 0.303 166 V C -0.567 175.452 176.094 -0.125 0.000 1.042 166 V CA -0.665 61.516 62.300 -0.198 0.000 0.872 166 V CB 1.536 33.065 31.823 -0.490 0.000 0.998 166 V HN 0.617 nan 8.190 nan 0.000 0.423 167 L N 4.764 125.851 121.223 -0.227 0.000 2.346 167 L HA 0.781 5.130 4.340 0.015 0.000 0.276 167 L C 0.348 177.104 176.870 -0.191 0.000 1.006 167 L CA -0.305 54.450 54.840 -0.141 0.000 0.817 167 L CB 2.407 44.353 42.059 -0.188 0.000 1.272 167 L HN 0.817 nan 8.230 nan 0.000 0.421 168 T N -1.689 112.810 114.554 -0.091 0.000 2.905 168 T HA 0.497 4.856 4.350 0.015 0.000 0.283 168 T C 0.488 175.174 174.700 -0.023 0.000 1.031 168 T CA -0.788 61.254 62.100 -0.096 0.000 1.002 168 T CB 1.596 70.419 68.868 -0.074 0.000 1.200 168 T HN 0.659 nan 8.240 nan 0.000 0.560 169 R N -0.703 119.782 120.500 -0.025 0.000 3.847 169 R HA -0.128 4.221 4.340 0.015 0.000 0.304 169 R C -0.676 175.633 176.300 0.013 0.000 1.203 169 R CA 1.059 57.161 56.100 0.003 0.000 0.835 169 R CB -2.882 27.445 30.300 0.044 0.000 1.253 169 R HN 0.807 nan 8.270 nan 0.000 0.516 170 T N 0.512 115.049 114.554 -0.028 0.000 2.864 170 T HA 0.306 4.665 4.350 0.015 0.000 0.310 170 T C -0.187 174.480 174.700 -0.055 0.000 1.040 170 T CA -0.674 61.418 62.100 -0.012 0.000 0.977 170 T CB 1.661 70.489 68.868 -0.067 0.000 0.976 170 T HN 0.170 nan 8.240 nan 0.000 0.459 171 R N 2.552 123.042 120.500 -0.016 0.000 2.221 171 R HA 0.644 4.993 4.340 0.015 0.000 0.327 171 R C 0.014 176.327 176.300 0.022 0.000 1.033 171 R CA -0.508 55.563 56.100 -0.048 0.000 0.887 171 R CB 0.496 30.770 30.300 -0.043 0.000 1.057 171 R HN 0.719 nan 8.270 nan 0.000 0.455 172 A N 3.126 125.936 122.820 -0.017 0.000 2.450 172 A HA 0.153 4.482 4.320 0.015 0.000 0.255 172 A C 1.023 178.741 177.584 0.223 0.000 1.096 172 A CA -0.024 52.066 52.037 0.090 0.000 0.778 172 A CB 0.540 19.509 19.000 -0.052 0.000 1.031 172 A HN 0.959 nan 8.150 nan 0.000 0.494 173 T N -1.001 113.692 114.554 0.231 0.000 3.018 173 T HA 0.322 4.681 4.350 0.015 0.000 0.246 173 T C 0.631 175.423 174.700 0.153 0.000 1.026 173 T CA 0.725 62.935 62.100 0.183 0.000 1.081 173 T CB -0.297 68.642 68.868 0.119 0.000 0.970 173 T HN 1.307 nan 8.240 nan 0.000 0.475 174 S N 0.066 115.872 115.700 0.178 0.000 2.579 174 S HA 0.830 5.309 4.470 0.015 0.000 0.272 174 S C -1.426 173.293 174.600 0.198 0.000 1.141 174 S CA -0.758 57.503 58.200 0.103 0.000 0.843 174 S CB 1.825 65.075 63.200 0.083 0.000 1.122 174 S HN 0.947 nan 8.310 nan 0.000 0.468 175 A N 1.637 124.543 122.820 0.144 0.000 2.437 175 A HA 0.870 5.199 4.320 0.015 0.000 0.293 175 A C -0.551 177.240 177.584 0.345 0.000 1.038 175 A CA -0.993 51.199 52.037 0.258 0.000 0.708 175 A CB 1.232 20.339 19.000 0.178 0.000 1.251 175 A HN 1.094 nan 8.150 nan 0.000 0.409 176 R N 1.873 122.632 120.500 0.432 0.000 2.698 176 R HA 0.661 5.010 4.340 0.015 0.000 0.275 176 R C -1.168 175.229 176.300 0.161 0.000 1.001 176 R CA -0.925 55.356 56.100 0.302 0.000 0.896 176 R CB 1.680 32.075 30.300 0.158 0.000 1.218 176 R HN 0.637 nan 8.270 nan 0.000 0.462 177 R N 1.550 121.954 120.500 -0.160 0.000 2.298 177 R HA 0.182 4.531 4.340 0.015 0.000 0.310 177 R C -0.638 175.564 176.300 -0.164 0.000 1.068 177 R CA -0.003 55.855 56.100 -0.404 0.000 0.957 177 R CB 0.902 30.860 30.300 -0.571 0.000 1.003 177 R HN 0.606 nan 8.270 nan 0.000 0.454 178 E N 2.717 122.841 120.200 -0.127 0.000 2.281 178 E HA 0.126 4.485 4.350 0.015 0.000 0.266 178 E C -0.908 175.656 176.600 -0.060 0.000 0.893 178 E CA -0.771 55.592 56.400 -0.062 0.000 0.798 178 E CB 1.489 31.184 29.700 -0.010 0.000 1.245 178 E HN 0.513 nan 8.360 nan 0.000 0.410 179 N N 1.979 120.644 118.700 -0.058 0.000 2.758 179 N HA -0.213 4.536 4.740 0.015 0.000 0.248 179 N C 0.658 176.137 175.510 -0.052 0.000 1.076 179 N CA 1.376 54.401 53.050 -0.042 0.000 0.696 179 N CB -1.283 37.194 38.487 -0.018 0.000 0.979 179 N HN 1.058 nan 8.380 nan 0.000 0.550 180 G N -1.732 107.015 108.800 -0.088 0.000 2.179 180 G HA2 -0.306 3.663 3.960 0.015 0.000 0.260 180 G HA3 -0.306 3.663 3.960 0.015 0.000 0.260 180 G C -0.060 174.766 174.900 -0.123 0.000 0.977 180 G CA 0.677 45.718 45.100 -0.097 0.000 0.641 180 G HN 0.436 nan 8.290 nan 0.000 0.533 181 L N -1.398 119.747 121.223 -0.130 0.000 2.333 181 L HA 0.671 5.021 4.340 0.015 0.000 0.263 181 L C -0.199 176.593 176.870 -0.129 0.000 1.014 181 L CA -1.350 53.449 54.840 -0.069 0.000 0.820 181 L CB 1.494 43.573 42.059 0.032 0.000 1.352 181 L HN 0.161 nan 8.230 nan 0.000 0.421 182 W N 2.035 123.371 121.300 0.060 0.000 2.315 182 W HA 0.433 5.101 4.660 0.014 0.000 0.316 182 W C -0.424 176.151 176.519 0.094 0.000 1.211 182 W CA -0.233 57.156 57.345 0.073 0.000 1.201 182 W CB 0.852 30.356 29.460 0.074 0.000 1.184 182 W HN 0.086 nan 8.180 nan 0.000 0.544 183 I N 3.969 124.755 120.570 0.360 0.000 2.330 183 I HA 0.225 4.404 4.170 0.015 0.000 0.289 183 I C -0.425 175.878 176.117 0.311 0.000 1.001 183 I CA -0.824 60.641 61.300 0.276 0.000 1.193 183 I CB 1.069 39.174 38.000 0.174 0.000 1.345 183 I HN 0.007 nan 8.210 nan 0.000 0.461 184 V N 6.671 126.776 119.914 0.319 0.000 2.384 184 V HA 0.409 4.538 4.120 0.015 0.000 0.287 184 V C 0.030 176.317 176.094 0.322 0.000 1.020 184 V CA -0.791 61.700 62.300 0.318 0.000 0.850 184 V CB 1.334 33.344 31.823 0.311 0.000 0.987 184 V HN 0.622 nan 8.190 nan 0.000 0.436 185 E N 2.957 123.303 120.200 0.244 0.000 2.204 185 E HA 0.807 5.166 4.350 0.015 0.000 0.276 185 E C -0.304 176.438 176.600 0.237 0.000 0.974 185 E CA -0.438 56.073 56.400 0.185 0.000 0.815 185 E CB 2.159 31.929 29.700 0.116 0.000 1.119 185 E HN 0.843 nan 8.360 nan 0.000 0.393 186 A N 2.639 125.603 122.820 0.240 0.000 2.587 186 A HA 0.592 4.921 4.320 0.015 0.000 0.293 186 A C -1.399 176.360 177.584 0.291 0.000 1.087 186 A CA -0.846 51.359 52.037 0.279 0.000 0.692 186 A CB 1.583 20.817 19.000 0.391 0.000 1.291 186 A HN 0.708 nan 8.150 nan 0.000 0.407 187 E N 0.738 121.084 120.200 0.242 0.000 2.383 187 E HA 0.421 4.780 4.350 0.015 0.000 0.275 187 E C -1.564 175.170 176.600 0.223 0.000 0.918 187 E CA -0.830 55.714 56.400 0.239 0.000 0.764 187 E CB 1.917 31.686 29.700 0.113 0.000 1.252 187 E HN 0.490 nan 8.360 nan 0.000 0.449 188 D N 2.942 123.495 120.400 0.254 0.000 2.348 188 D HA 0.053 4.702 4.640 0.015 0.000 0.253 188 D C 1.256 177.617 176.300 0.100 0.000 1.161 188 D CA -0.272 53.848 54.000 0.199 0.000 0.876 188 D CB 0.921 41.850 40.800 0.216 0.000 1.160 188 D HN 0.674 nan 8.370 nan 0.000 0.459 189 I N 0.985 121.597 120.570 0.070 0.000 2.830 189 I HA -0.108 4.071 4.170 0.015 0.000 0.263 189 I C 0.679 176.820 176.117 0.039 0.000 1.230 189 I CA 0.661 61.986 61.300 0.042 0.000 1.480 189 I CB 0.104 38.115 38.000 0.018 0.000 1.095 189 I HN 0.134 nan 8.210 nan 0.000 0.455 190 D N 1.519 121.947 120.400 0.046 0.000 2.468 190 D HA -0.073 4.576 4.640 0.015 0.000 0.243 190 D C 2.297 178.616 176.300 0.031 0.000 0.994 190 D CA 2.042 56.065 54.000 0.039 0.000 0.932 190 D CB -0.221 40.604 40.800 0.042 0.000 1.078 190 D HN 0.466 nan 8.370 nan 0.000 0.473 191 T N -2.039 112.535 114.554 0.034 0.000 3.100 191 T HA 0.259 4.618 4.350 0.015 0.000 0.253 191 T C 1.703 176.406 174.700 0.004 0.000 1.118 191 T CA 0.938 63.048 62.100 0.017 0.000 1.058 191 T CB 0.182 69.057 68.868 0.011 0.000 0.953 191 T HN 0.247 nan 8.240 nan 0.000 0.515 192 G N 1.809 110.618 108.800 0.015 0.000 2.186 192 G HA2 -0.367 3.602 3.960 0.015 0.000 0.266 192 G HA3 -0.367 3.602 3.960 0.015 0.000 0.266 192 G C 0.056 174.937 174.900 -0.032 0.000 0.982 192 G CA 0.610 45.712 45.100 0.003 0.000 0.670 192 G HN 0.900 nan 8.290 nan 0.000 0.533 193 K N 0.760 121.125 120.400 -0.057 0.000 2.484 193 K HA 0.197 4.526 4.320 0.015 0.000 0.280 193 K C 0.363 176.798 176.600 -0.275 0.000 1.013 193 K CA 0.194 56.368 56.287 -0.188 0.000 1.029 193 K CB 0.247 32.601 32.500 -0.244 0.000 0.902 193 K HN 0.095 nan 8.250 nan 0.000 0.481 194 K N 3.894 124.097 120.400 -0.328 0.000 2.110 194 K HA 0.268 4.597 4.320 0.015 0.000 0.263 194 K C -0.854 175.471 176.600 -0.458 0.000 0.975 194 K CA -0.477 55.668 56.287 -0.237 0.000 0.895 194 K CB 1.094 33.512 32.500 -0.137 0.000 1.060 194 K HN 0.472 nan 8.250 nan 0.000 0.448 195 Y N -0.920 119.228 120.300 -0.253 0.000 2.576 195 Y HA 0.354 4.912 4.550 0.014 0.000 0.346 195 Y C 0.182 175.710 175.900 -0.621 0.000 1.018 195 Y CA -0.934 56.818 58.100 -0.580 0.000 1.050 195 Y CB 2.553 40.390 38.460 -1.039 0.000 1.280 195 Y HN 0.449 nan 8.280 nan 0.000 0.474 196 S N 2.033 117.369 115.700 -0.606 0.000 2.619 196 S HA 0.599 5.078 4.470 0.015 0.000 0.280 196 S C -1.789 172.541 174.600 -0.451 0.000 1.150 196 S CA -0.563 57.426 58.200 -0.351 0.000 0.978 196 S CB 0.657 63.770 63.200 -0.145 0.000 1.041 196 S HN 0.621 nan 8.310 nan 0.000 0.485 197 W N 2.052 123.413 121.300 0.101 0.000 2.902 197 W HA 0.488 5.155 4.660 0.011 0.000 0.346 197 W C -0.360 176.219 176.519 0.100 0.000 1.139 197 W CA -0.737 56.660 57.345 0.087 0.000 1.139 197 W CB 1.733 31.229 29.460 0.061 0.000 1.439 197 W HN 0.504 nan 8.180 nan 0.000 0.558 198 Q N 0.687 120.698 119.800 0.351 0.000 2.312 198 Q HA 0.685 5.034 4.340 0.015 0.000 0.263 198 Q C -0.683 175.472 176.000 0.259 0.000 0.995 198 Q CA -0.319 55.640 55.803 0.260 0.000 0.853 198 Q CB 2.310 31.156 28.738 0.181 0.000 1.300 198 Q HN 0.455 nan 8.270 nan 0.000 0.448 199 A N 1.999 124.985 122.820 0.276 0.000 2.515 199 A HA 0.489 4.818 4.320 0.015 0.000 0.296 199 A C -0.253 177.518 177.584 0.312 0.000 1.094 199 A CA -0.624 51.567 52.037 0.257 0.000 0.718 199 A CB 1.446 20.569 19.000 0.204 0.000 1.307 199 A HN 0.888 nan 8.150 nan 0.000 0.408 200 R N 0.211 120.883 120.500 0.287 0.000 2.200 200 R HA 0.198 4.547 4.340 0.015 0.000 0.208 200 R C 0.836 177.333 176.300 0.328 0.000 1.033 200 R CA 1.010 57.263 56.100 0.255 0.000 1.000 200 R CB 0.406 30.837 30.300 0.219 0.000 0.906 200 R HN 0.793 nan 8.270 nan 0.000 0.462 201 G N 0.074 109.125 108.800 0.420 0.000 2.690 201 G HA2 0.533 4.502 3.960 0.015 0.000 0.293 201 G HA3 0.533 4.502 3.960 0.015 0.000 0.293 201 G C -2.164 172.763 174.900 0.045 0.000 1.399 201 G CA -0.509 44.799 45.100 0.347 0.000 0.890 201 G HN -0.034 nan 8.290 nan 0.000 0.485 202 L N 0.977 122.074 121.223 -0.210 0.000 2.436 202 L HA 0.743 5.092 4.340 0.015 0.000 0.268 202 L C -1.037 175.644 176.870 -0.315 0.000 0.974 202 L CA -0.722 53.799 54.840 -0.531 0.000 0.826 202 L CB 2.362 43.576 42.059 -1.407 0.000 1.291 202 L HN 0.371 nan 8.230 nan 0.000 0.406 203 V N 4.256 124.008 119.914 -0.271 0.000 2.357 203 V HA 0.432 4.561 4.120 0.015 0.000 0.284 203 V C -0.249 175.686 176.094 -0.266 0.000 1.018 203 V CA -0.672 61.508 62.300 -0.199 0.000 0.841 203 V CB 1.433 33.170 31.823 -0.142 0.000 0.991 203 V HN 0.765 nan 8.190 nan 0.000 0.437 204 N N 4.414 122.974 118.700 -0.232 0.000 2.602 204 N HA 0.363 5.112 4.740 0.015 0.000 0.238 204 N C 0.134 175.518 175.510 -0.209 0.000 1.084 204 N CA -0.169 52.722 53.050 -0.266 0.000 0.952 204 N CB 1.268 39.610 38.487 -0.240 0.000 1.244 204 N HN 0.770 nan 8.380 nan 0.000 0.512 205 A N 2.613 125.296 122.820 -0.230 0.000 3.106 205 A HA 0.162 4.491 4.320 0.015 0.000 0.306 205 A C 1.054 178.541 177.584 -0.163 0.000 1.192 205 A CA -0.455 51.474 52.037 -0.180 0.000 0.994 205 A CB -0.720 18.185 19.000 -0.159 0.000 1.107 205 A HN 0.567 nan 8.150 nan 0.000 0.585 206 T N -3.463 111.004 114.554 -0.144 0.000 3.219 206 T HA 0.423 4.783 4.350 0.015 0.000 0.249 206 T C 1.402 176.192 174.700 0.149 0.000 1.099 206 T CA 0.924 62.998 62.100 -0.043 0.000 0.988 206 T CB -0.371 68.453 68.868 -0.073 0.000 0.999 206 T HN 1.698 nan 8.240 nan 0.000 0.550 207 G N 2.886 111.709 108.800 0.038 0.000 2.629 207 G HA2 -0.301 3.668 3.960 0.015 0.000 0.313 207 G HA3 -0.301 3.668 3.960 0.015 0.000 0.313 207 G C -1.302 173.621 174.900 0.039 0.000 1.217 207 G CA 0.222 45.348 45.100 0.044 0.000 0.994 207 G HN 0.433 nan 8.290 nan 0.000 0.549 208 P HA -0.014 nan 4.420 nan 0.000 0.225 208 P C 1.197 178.346 177.300 -0.251 0.000 1.148 208 P CA 1.729 64.688 63.100 -0.234 0.000 0.779 208 P CB -0.112 31.255 31.700 -0.555 0.000 0.780 209 W N -0.740 120.565 121.300 0.008 0.000 3.256 209 W HA 0.117 4.787 4.660 0.015 0.000 0.269 209 W C 1.854 178.420 176.519 0.080 0.000 1.310 209 W CA -0.215 57.157 57.345 0.045 0.000 1.673 209 W CB -0.446 29.031 29.460 0.028 0.000 1.115 209 W HN -0.149 nan 8.180 nan 0.000 0.686 210 V N 1.770 121.805 119.914 0.203 0.000 2.324 210 V HA -0.350 3.779 4.120 0.015 0.000 0.250 210 V C 2.389 178.708 176.094 0.376 0.000 1.060 210 V CA 2.710 65.100 62.300 0.149 0.000 1.042 210 V CB -0.205 31.508 31.823 -0.183 0.000 0.650 210 V HN 0.129 nan 8.190 nan 0.000 0.450 211 K N -1.068 119.538 120.400 0.344 0.000 2.098 211 K HA -0.140 4.189 4.320 0.015 0.000 0.203 211 K C 2.344 179.135 176.600 0.319 0.000 1.051 211 K CA 1.203 57.719 56.287 0.382 0.000 0.957 211 K CB -0.438 32.216 32.500 0.256 0.000 0.738 211 K HN 0.506 nan 8.250 nan 0.000 0.447 212 Q N 0.246 120.198 119.800 0.254 0.000 2.112 212 Q HA -0.235 4.114 4.340 0.015 0.000 0.206 212 Q C 1.865 178.004 176.000 0.230 0.000 0.987 212 Q CA 1.832 57.772 55.803 0.228 0.000 0.858 212 Q CB -0.289 28.611 28.738 0.269 0.000 0.905 212 Q HN 0.424 nan 8.270 nan 0.000 0.420 213 F N 0.067 120.107 119.950 0.151 0.000 2.171 213 F HA -0.173 4.362 4.527 0.014 0.000 0.300 213 F C 1.791 177.584 175.800 -0.012 0.000 1.090 213 F CA 1.048 59.067 58.000 0.031 0.000 1.293 213 F CB -0.469 38.504 39.000 -0.045 0.000 1.013 213 F HN 0.032 nan 8.300 nan 0.000 0.486 214 F N 0.983 120.950 119.950 0.028 0.000 2.095 214 F HA -0.266 4.270 4.527 0.016 0.000 0.298 214 F C 2.407 178.124 175.800 -0.139 0.000 1.104 214 F CA 2.058 60.038 58.000 -0.032 0.000 1.232 214 F CB -0.708 38.342 39.000 0.083 0.000 0.987 214 F HN -0.033 nan 8.300 nan 0.000 0.475 215 D N -0.300 120.160 120.400 0.101 0.000 2.103 215 D HA -0.125 4.524 4.640 0.015 0.000 0.199 215 D C 1.685 177.822 176.300 -0.270 0.000 0.978 215 D CA 1.575 55.556 54.000 -0.031 0.000 0.829 215 D CB -0.383 40.435 40.800 0.030 0.000 0.981 215 D HN 0.290 nan 8.370 nan 0.000 0.464 216 D N -0.808 119.438 120.400 -0.256 0.000 2.380 216 D HA 0.072 4.721 4.640 0.015 0.000 0.212 216 D C 1.991 178.020 176.300 -0.451 0.000 1.021 216 D CA 0.559 54.360 54.000 -0.332 0.000 0.884 216 D CB -0.015 40.723 40.800 -0.103 0.000 1.001 216 D HN 0.217 nan 8.370 nan 0.000 0.506 217 G N -0.019 108.409 108.800 -0.619 0.000 2.545 217 G HA2 0.010 3.979 3.960 0.015 0.000 0.212 217 G HA3 0.010 3.979 3.960 0.015 0.000 0.212 217 G C 1.439 175.923 174.900 -0.694 0.000 1.144 217 G CA 0.068 44.639 45.100 -0.882 0.000 0.813 217 G HN 0.105 nan 8.290 nan 0.000 0.531 218 M N -1.061 118.184 119.600 -0.592 0.000 2.393 218 M HA 0.255 4.744 4.480 0.015 0.000 0.270 218 M C 0.225 176.538 176.300 0.021 0.000 1.127 218 M CA -0.114 55.051 55.300 -0.224 0.000 1.104 218 M CB 0.544 33.009 32.600 -0.226 0.000 1.523 218 M HN 0.173 nan 8.290 nan 0.000 0.546 219 H N 1.084 120.137 119.070 -0.028 0.000 2.770 219 H HA -0.095 4.469 4.556 0.015 0.000 0.309 219 H C -0.815 174.565 175.328 0.087 0.000 1.206 219 H CA 0.669 56.736 56.048 0.032 0.000 1.147 219 H CB -1.992 27.781 29.762 0.018 0.000 1.422 219 H HN 0.343 nan 8.280 nan 0.000 0.420 220 L N 1.098 122.444 121.223 0.205 0.000 2.354 220 L HA 0.457 4.806 4.340 0.015 0.000 0.269 220 L C -1.884 175.144 176.870 0.264 0.000 1.005 220 L CA -1.847 53.155 54.840 0.269 0.000 0.819 220 L CB 2.271 44.559 42.059 0.381 0.000 1.311 220 L HN -0.115 nan 8.230 nan 0.000 0.423 221 P HA 0.052 nan 4.420 nan 0.000 0.276 221 P C -0.550 176.566 177.300 -0.307 0.000 1.230 221 P CA -0.223 62.846 63.100 -0.050 0.000 0.776 221 P CB 1.420 33.067 31.700 -0.088 0.000 0.888 222 S N 3.787 119.181 115.700 -0.511 0.000 2.533 222 S HA 0.159 4.638 4.470 0.015 0.000 0.282 222 S C -0.857 173.350 174.600 -0.654 0.000 1.304 222 S CA -1.217 56.386 58.200 -0.995 0.000 1.063 222 S CB -0.177 62.739 63.200 -0.472 0.000 0.881 222 S HN 0.343 nan 8.310 nan 0.000 0.493 223 P HA -0.003 nan 4.420 nan 0.000 0.220 223 P C -0.599 175.996 177.300 -1.175 0.000 1.148 223 P CA 1.211 63.839 63.100 -0.786 0.000 0.803 223 P CB 0.021 31.337 31.700 -0.640 0.000 0.782 224 Y N -2.534 117.333 120.300 -0.723 0.000 2.605 224 Y HA 0.585 5.144 4.550 0.015 0.000 0.343 224 Y C 1.766 177.468 175.900 -0.330 0.000 1.036 224 Y CA -0.763 56.959 58.100 -0.631 0.000 1.065 224 Y CB 0.830 38.706 38.460 -0.974 0.000 1.288 224 Y HN -0.335 nan 8.280 nan 0.000 0.481 225 G N 0.249 109.044 108.800 -0.008 0.000 2.744 225 G HA2 0.118 4.087 3.960 0.015 0.000 0.211 225 G HA3 0.118 4.087 3.960 0.015 0.000 0.211 225 G C 0.271 175.222 174.900 0.086 0.000 1.146 225 G CA -0.006 45.107 45.100 0.021 0.000 0.787 225 G HN 0.662 nan 8.290 nan 0.000 0.534 226 I N 0.549 121.205 120.570 0.143 0.000 8.511 226 I HA -0.186 3.993 4.170 0.015 0.000 0.126 226 I C -0.776 175.377 176.117 0.059 0.000 1.779 226 I CA 0.378 61.761 61.300 0.138 0.000 2.154 226 I CB 0.229 38.343 38.000 0.190 0.000 3.703 226 I HN 0.168 nan 8.210 nan 0.000 0.204 227 R N 8.114 128.636 120.500 0.037 0.000 2.338 227 R HA 0.565 4.914 4.340 0.015 0.000 0.317 227 R C -0.738 175.564 176.300 0.003 0.000 0.968 227 R CA -0.879 55.227 56.100 0.011 0.000 0.849 227 R CB 1.220 31.516 30.300 -0.006 0.000 1.128 227 R HN 0.460 nan 8.270 nan 0.000 0.448 228 L N 4.930 126.158 121.223 0.009 0.000 2.255 228 L HA 0.413 4.762 4.340 0.015 0.000 0.289 228 L C -0.080 176.800 176.870 0.017 0.000 1.046 228 L CA -0.480 54.362 54.840 0.004 0.000 0.816 228 L CB 0.763 42.859 42.059 0.062 0.000 1.197 228 L HN 0.292 nan 8.230 nan 0.000 0.427 229 I N 4.218 124.770 120.570 -0.030 0.000 2.390 229 I HA 0.227 4.406 4.170 0.015 0.000 0.283 229 I C 0.223 176.294 176.117 -0.078 0.000 1.016 229 I CA -0.584 60.697 61.300 -0.032 0.000 1.151 229 I CB 1.562 39.540 38.000 -0.037 0.000 1.293 229 I HN 0.593 nan 8.210 nan 0.000 0.458 230 K N 4.712 125.063 120.400 -0.082 0.000 2.326 230 K HA 0.523 4.852 4.320 0.015 0.000 0.275 230 K C 0.026 176.545 176.600 -0.135 0.000 1.018 230 K CA -0.098 56.093 56.287 -0.160 0.000 0.962 230 K CB 0.959 33.375 32.500 -0.140 0.000 0.953 230 K HN 0.832 nan 8.250 nan 0.000 0.475 231 G N 1.624 110.336 108.800 -0.147 0.000 2.638 231 G HA2 0.470 4.439 3.960 0.015 0.000 0.302 231 G HA3 0.470 4.439 3.960 0.015 0.000 0.302 231 G C -1.416 173.366 174.900 -0.197 0.000 1.365 231 G CA -0.641 44.358 45.100 -0.167 0.000 0.987 231 G HN 0.569 nan 8.290 nan 0.000 0.495 232 S N -0.211 115.310 115.700 -0.297 0.000 2.638 232 S HA 0.779 5.258 4.470 0.015 0.000 0.302 232 S C -1.139 173.104 174.600 -0.594 0.000 1.096 232 S CA -0.620 57.372 58.200 -0.346 0.000 0.953 232 S CB 1.677 64.712 63.200 -0.276 0.000 1.107 232 S HN 0.696 nan 8.310 nan 0.000 0.503 233 H N 0.129 118.781 119.070 -0.696 0.000 2.851 233 H HA 0.649 5.214 4.556 0.015 0.000 0.372 233 H C -0.465 174.495 175.328 -0.613 0.000 1.158 233 H CA -0.734 54.872 56.048 -0.736 0.000 1.159 233 H CB 1.172 30.132 29.762 -1.336 0.000 1.757 233 H HN 0.609 nan 8.280 nan 0.000 0.546 234 I N -0.737 119.674 120.570 -0.266 0.000 2.797 234 I HA 0.788 4.967 4.170 0.015 0.000 0.307 234 I C -1.116 174.933 176.117 -0.114 0.000 1.033 234 I CA -1.216 59.963 61.300 -0.202 0.000 1.071 234 I CB 2.040 39.954 38.000 -0.144 0.000 1.255 234 I HN 0.204 nan 8.210 nan 0.000 0.445 235 V N 4.754 124.649 119.914 -0.032 0.000 2.540 235 V HA 0.622 4.751 4.120 0.015 0.000 0.302 235 V C 0.031 176.180 176.094 0.092 0.000 1.035 235 V CA -0.547 61.804 62.300 0.085 0.000 0.873 235 V CB 1.623 33.587 31.823 0.234 0.000 0.992 235 V HN 0.720 nan 8.190 nan 0.000 0.428 236 V N 2.735 122.718 119.914 0.114 0.000 3.001 236 V HA 0.767 4.896 4.120 0.015 0.000 0.314 236 V C -2.865 173.372 176.094 0.238 0.000 1.099 236 V CA -3.158 59.201 62.300 0.099 0.000 0.989 236 V CB 1.937 33.725 31.823 -0.058 0.000 1.040 236 V HN 0.626 nan 8.190 nan 0.000 0.434 237 P HA 0.102 nan 4.420 nan 0.000 0.265 237 P C -0.227 177.080 177.300 0.010 0.000 1.187 237 P CA 0.037 63.197 63.100 0.099 0.000 0.766 237 P CB 0.271 31.985 31.700 0.024 0.000 0.820 238 R N 2.105 122.577 120.500 -0.046 0.000 2.494 238 R HA -0.044 4.305 4.340 0.015 0.000 0.291 238 R C 1.261 177.474 176.300 -0.145 0.000 0.953 238 R CA 0.099 56.142 56.100 -0.094 0.000 1.098 238 R CB 0.141 30.378 30.300 -0.105 0.000 0.911 238 R HN 0.366 nan 8.270 nan 0.000 0.407 239 V N 1.190 120.947 119.914 -0.262 0.000 3.217 239 V HA 0.044 4.173 4.120 0.015 0.000 0.264 239 V C 0.102 176.138 176.094 -0.096 0.000 1.135 239 V CA 1.023 63.189 62.300 -0.224 0.000 1.142 239 V CB -1.062 30.563 31.823 -0.330 0.000 0.754 239 V HN 0.987 nan 8.190 nan 0.000 0.484 240 H N -2.771 116.310 119.070 0.019 0.000 2.932 240 H HA 0.543 5.109 4.556 0.015 0.000 0.307 240 H C 0.248 175.608 175.328 0.054 0.000 1.391 240 H CA -0.123 55.959 56.048 0.056 0.000 1.130 240 H CB 0.655 30.478 29.762 0.102 0.000 1.836 240 H HN -0.023 nan 8.280 nan 0.000 0.522 241 T N -2.163 112.560 114.554 0.281 0.000 3.145 241 T HA 0.193 4.552 4.350 0.015 0.000 0.255 241 T C 0.008 174.852 174.700 0.239 0.000 1.039 241 T CA -0.432 61.783 62.100 0.192 0.000 0.928 241 T CB -0.386 68.542 68.868 0.100 0.000 1.029 241 T HN 0.571 nan 8.240 nan 0.000 0.554 242 Q N 1.135 121.178 119.800 0.406 0.000 2.392 242 Q HA 0.262 4.611 4.340 0.015 0.000 0.262 242 Q C 0.970 177.117 176.000 0.245 0.000 1.003 242 Q CA -0.531 55.417 55.803 0.241 0.000 0.888 242 Q CB 0.906 29.683 28.738 0.065 0.000 1.260 242 Q HN 0.055 nan 8.270 nan 0.000 0.435 243 K N 1.386 121.864 120.400 0.129 0.000 2.283 243 K HA -0.090 4.239 4.320 0.015 0.000 0.202 243 K C 0.067 176.709 176.600 0.071 0.000 1.048 243 K CA 1.001 57.339 56.287 0.084 0.000 0.948 243 K CB 0.171 32.696 32.500 0.042 0.000 0.742 243 K HN 0.581 nan 8.250 nan 0.000 0.458 244 Q N -0.156 119.691 119.800 0.078 0.000 2.259 244 Q HA 0.330 4.679 4.340 0.015 0.000 0.249 244 Q C -0.577 175.441 176.000 0.030 0.000 0.914 244 Q CA -0.236 55.541 55.803 -0.044 0.000 0.904 244 Q CB 1.420 30.072 28.738 -0.143 0.000 1.213 244 Q HN 0.132 nan 8.270 nan 0.000 0.428 245 A N 2.178 124.861 122.820 -0.229 0.000 2.371 245 A HA 0.446 4.775 4.320 0.015 0.000 0.257 245 A C -1.215 176.342 177.584 -0.045 0.000 1.089 245 A CA -0.178 51.771 52.037 -0.146 0.000 0.794 245 A CB 0.253 18.845 19.000 -0.680 0.000 1.029 245 A HN 0.635 nan 8.150 nan 0.000 0.488 246 Y N 0.407 120.852 120.300 0.241 0.000 2.387 246 Y HA 0.541 5.100 4.550 0.015 0.000 0.336 246 Y C 0.188 176.299 175.900 0.351 0.000 1.067 246 Y CA -0.453 57.827 58.100 0.300 0.000 1.114 246 Y CB 1.801 40.511 38.460 0.416 0.000 1.208 246 Y HN 0.604 nan 8.280 nan 0.000 0.458 247 I N 5.417 126.222 120.570 0.392 0.000 2.411 247 I HA 0.424 4.603 4.170 0.015 0.000 0.284 247 I C -1.762 174.385 176.117 0.050 0.000 1.012 247 I CA -0.596 60.835 61.300 0.218 0.000 1.119 247 I CB 0.389 38.544 38.000 0.258 0.000 1.261 247 I HN 0.482 nan 8.210 nan 0.000 0.448 248 L N 7.073 128.234 121.223 -0.104 0.000 2.295 248 L HA 0.460 4.809 4.340 0.015 0.000 0.285 248 L C -0.192 176.561 176.870 -0.196 0.000 1.035 248 L CA -0.670 54.011 54.840 -0.265 0.000 0.806 248 L CB 1.482 43.227 42.059 -0.524 0.000 1.214 248 L HN 0.538 nan 8.230 nan 0.000 0.426 249 Q N 2.682 122.426 119.800 -0.093 0.000 2.323 249 Q HA 0.191 4.540 4.340 0.015 0.000 0.257 249 Q C -0.542 175.459 176.000 0.002 0.000 1.022 249 Q CA -0.384 55.390 55.803 -0.049 0.000 0.919 249 Q CB 1.042 29.758 28.738 -0.037 0.000 1.220 249 Q HN 0.402 nan 8.270 nan 0.000 0.427 250 N N 1.411 120.088 118.700 -0.039 0.000 2.463 250 N HA 0.020 4.769 4.740 0.015 0.000 0.270 250 N C 0.718 176.213 175.510 -0.025 0.000 1.205 250 N CA -0.262 52.770 53.050 -0.031 0.000 0.974 250 N CB 0.989 39.432 38.487 -0.074 0.000 1.197 250 N HN 0.414 nan 8.380 nan 0.000 0.504 251 E N -0.044 120.153 120.200 -0.006 0.000 2.265 251 E HA -0.174 4.186 4.350 0.015 0.000 0.196 251 E C 0.183 176.795 176.600 0.020 0.000 0.996 251 E CA 0.943 57.354 56.400 0.018 0.000 0.832 251 E CB -0.097 29.634 29.700 0.051 0.000 0.756 251 E HN 0.647 nan 8.360 nan 0.000 0.491 252 D N -0.065 120.360 120.400 0.043 0.000 2.328 252 D HA -0.053 4.596 4.640 0.015 0.000 0.226 252 D C 0.446 176.766 176.300 0.032 0.000 1.066 252 D CA 0.019 54.055 54.000 0.060 0.000 0.861 252 D CB 0.255 41.131 40.800 0.126 0.000 0.912 252 D HN -0.185 nan 8.370 nan 0.000 0.521 253 K N -0.686 119.712 120.400 -0.003 0.000 3.547 253 K HA -0.190 4.139 4.320 0.015 0.000 0.309 253 K C 0.119 176.710 176.600 -0.015 0.000 1.324 253 K CA 0.527 56.795 56.287 -0.031 0.000 0.988 253 K CB -1.821 30.656 32.500 -0.037 0.000 1.261 253 K HN 0.434 nan 8.250 nan 0.000 0.444 254 R N 0.604 121.117 120.500 0.022 0.000 2.637 254 R HA 0.399 4.748 4.340 0.015 0.000 0.269 254 R C 0.850 177.123 176.300 -0.045 0.000 1.089 254 R CA -0.396 55.715 56.100 0.019 0.000 1.177 254 R CB 0.260 30.613 30.300 0.089 0.000 1.091 254 R HN 0.166 nan 8.270 nan 0.000 0.540 255 I N -2.044 118.458 120.570 -0.114 0.000 2.460 255 I HA 0.472 4.652 4.170 0.015 0.000 0.298 255 I C -0.543 175.393 176.117 -0.302 0.000 0.989 255 I CA -0.715 60.443 61.300 -0.237 0.000 1.173 255 I CB 1.850 39.654 38.000 -0.326 0.000 1.338 255 I HN 0.087 nan 8.210 nan 0.000 0.456 256 V N 5.662 125.394 119.914 -0.304 0.000 2.604 256 V HA 0.505 4.634 4.120 0.015 0.000 0.305 256 V C -0.487 175.458 176.094 -0.250 0.000 1.043 256 V CA -0.388 61.780 62.300 -0.219 0.000 0.888 256 V CB 1.616 33.400 31.823 -0.065 0.000 0.995 256 V HN 0.593 nan 8.190 nan 0.000 0.429 257 F N 2.942 122.955 119.950 0.105 0.000 2.377 257 F HA 0.643 5.179 4.527 0.015 0.000 0.328 257 F C 0.202 176.105 175.800 0.172 0.000 1.094 257 F CA -0.778 57.329 58.000 0.179 0.000 1.093 257 F CB 1.604 40.732 39.000 0.214 0.000 1.214 257 F HN 0.130 nan 8.300 nan 0.000 0.518 258 V N 4.351 124.529 119.914 0.440 0.000 2.380 258 V HA 0.400 4.529 4.120 0.015 0.000 0.286 258 V C -0.358 175.917 176.094 0.302 0.000 1.015 258 V CA -0.566 61.912 62.300 0.296 0.000 0.834 258 V CB 1.026 33.002 31.823 0.255 0.000 1.009 258 V HN 0.526 nan 8.190 nan 0.000 0.428 259 I N 6.799 127.503 120.570 0.224 0.000 2.406 259 I HA 0.454 4.633 4.170 0.015 0.000 0.290 259 I C -2.485 173.731 176.117 0.166 0.000 0.999 259 I CA -2.238 59.174 61.300 0.186 0.000 1.124 259 I CB 2.597 40.729 38.000 0.220 0.000 1.289 259 I HN 0.376 nan 8.210 nan 0.000 0.441 260 P HA -0.003 nan 4.420 nan 0.000 0.268 260 P C -1.367 176.063 177.300 0.217 0.000 1.205 260 P CA 0.004 63.182 63.100 0.130 0.000 0.771 260 P CB 0.375 32.126 31.700 0.086 0.000 0.858 261 W N 5.552 126.874 121.300 0.037 0.000 2.830 261 W HA 0.391 5.060 4.660 0.015 0.000 0.335 261 W C -0.316 176.287 176.519 0.140 0.000 1.043 261 W CA -0.881 56.506 57.345 0.070 0.000 1.239 261 W CB 0.641 30.231 29.460 0.217 0.000 1.378 261 W HN 0.349 nan 8.180 nan 0.000 0.456 262 M N 6.447 125.966 119.600 -0.135 0.000 2.393 262 M HA -0.371 4.118 4.480 0.015 0.000 0.201 262 M C 0.465 176.736 176.300 -0.048 0.000 0.403 262 M CA 1.740 56.948 55.300 -0.154 0.000 0.471 262 M CB -1.095 31.345 32.600 -0.267 0.000 1.669 262 M HN 0.649 nan 8.290 nan 0.000 0.864 263 D N -1.678 118.689 120.400 -0.055 0.000 2.808 263 D HA -0.228 4.421 4.640 0.015 0.000 0.195 263 D C 0.763 176.997 176.300 -0.110 0.000 1.057 263 D CA 2.262 56.221 54.000 -0.069 0.000 1.026 263 D CB -0.713 40.039 40.800 -0.080 0.000 1.115 263 D HN 0.815 nan 8.370 nan 0.000 0.421 264 E N -1.299 118.780 120.200 -0.201 0.000 2.508 264 E HA 0.185 4.545 4.350 0.015 0.000 0.217 264 E C 0.273 176.503 176.600 -0.617 0.000 0.896 264 E CA 0.057 56.167 56.400 -0.482 0.000 1.118 264 E CB 0.681 29.907 29.700 -0.790 0.000 1.133 264 E HN 0.113 nan 8.360 nan 0.000 0.526 265 F N 0.455 120.439 119.950 0.057 0.000 2.598 265 F HA 0.468 5.004 4.527 0.015 0.000 0.327 265 F C 0.143 176.033 175.800 0.150 0.000 1.057 265 F CA -1.044 57.032 58.000 0.127 0.000 0.957 265 F CB 1.876 41.050 39.000 0.291 0.000 1.278 265 F HN -0.354 nan 8.300 nan 0.000 0.484 266 S N 1.217 117.109 115.700 0.320 0.000 2.513 266 S HA 0.673 5.152 4.470 0.015 0.000 0.299 266 S C -0.760 173.953 174.600 0.189 0.000 1.087 266 S CA -0.593 57.716 58.200 0.181 0.000 1.012 266 S CB 1.426 64.597 63.200 -0.049 0.000 1.044 266 S HN 0.359 nan 8.310 nan 0.000 0.485 267 I N 2.877 123.536 120.570 0.149 0.000 2.336 267 I HA 0.416 4.595 4.170 0.015 0.000 0.292 267 I C -0.773 175.390 176.117 0.075 0.000 0.991 267 I CA -0.414 60.916 61.300 0.049 0.000 1.227 267 I CB 0.936 38.899 38.000 -0.062 0.000 1.366 267 I HN 0.452 nan 8.210 nan 0.000 0.466 268 I N 5.752 126.336 120.570 0.024 0.000 2.382 268 I HA 0.700 4.879 4.170 0.015 0.000 0.286 268 I C 0.333 176.449 176.117 -0.003 0.000 1.002 268 I CA -0.154 61.165 61.300 0.031 0.000 1.135 268 I CB 1.623 39.593 38.000 -0.050 0.000 1.288 268 I HN 0.699 nan 8.210 nan 0.000 0.448 269 G N 3.507 112.327 108.800 0.034 0.000 2.559 269 G HA2 0.697 4.666 3.960 0.015 0.000 0.291 269 G HA3 0.697 4.666 3.960 0.015 0.000 0.291 269 G C -0.971 173.896 174.900 -0.055 0.000 1.424 269 G CA -0.366 44.570 45.100 -0.274 0.000 0.786 269 G HN 0.473 nan 8.290 nan 0.000 0.485 270 T N -1.720 112.748 114.554 -0.142 0.000 2.573 270 T HA 0.871 5.230 4.350 0.015 0.000 0.259 270 T C 0.082 174.684 174.700 -0.164 0.000 0.886 270 T CA -0.052 61.827 62.100 -0.368 0.000 1.110 270 T CB 1.206 69.818 68.868 -0.426 0.000 1.421 270 T HN 1.297 nan 8.240 nan 0.000 0.523 271 T N -1.298 113.119 114.554 -0.228 0.000 2.887 271 T HA 0.692 5.051 4.350 0.015 0.000 0.292 271 T C -1.868 172.709 174.700 -0.205 0.000 1.087 271 T CA -0.794 61.142 62.100 -0.275 0.000 1.009 271 T CB 1.923 70.596 68.868 -0.325 0.000 1.203 271 T HN 0.486 nan 8.240 nan 0.000 0.518 272 D N 1.289 121.559 120.400 -0.217 0.000 2.346 272 D HA 0.455 5.104 4.640 0.015 0.000 0.255 272 D C -1.115 175.102 176.300 -0.137 0.000 1.276 272 D CA -0.139 53.780 54.000 -0.135 0.000 0.941 272 D CB 1.730 42.472 40.800 -0.098 0.000 1.199 272 D HN 0.425 nan 8.370 nan 0.000 0.537 273 V N 1.863 121.711 119.914 -0.110 0.000 2.409 273 V HA 0.224 4.353 4.120 0.015 0.000 0.291 273 V C 0.409 176.492 176.094 -0.017 0.000 1.020 273 V CA -0.918 61.335 62.300 -0.078 0.000 0.848 273 V CB 2.079 33.857 31.823 -0.074 0.000 0.990 273 V HN 0.294 nan 8.190 nan 0.000 0.430 274 E N 3.336 123.526 120.200 -0.017 0.000 2.384 274 E HA 0.202 4.561 4.350 0.015 0.000 0.266 274 E C -1.384 175.249 176.600 0.056 0.000 1.012 274 E CA 0.231 56.637 56.400 0.009 0.000 0.901 274 E CB 0.534 30.224 29.700 -0.018 0.000 0.967 274 E HN 0.593 nan 8.360 nan 0.000 0.435 275 Y N 3.563 123.818 120.300 -0.076 0.000 2.442 275 Y HA 0.431 4.990 4.550 0.015 0.000 0.344 275 Y C -1.337 174.517 175.900 -0.077 0.000 0.976 275 Y CA -0.967 57.085 58.100 -0.079 0.000 1.040 275 Y CB 1.236 39.640 38.460 -0.092 0.000 1.228 275 Y HN 0.338 nan 8.280 nan 0.000 0.451 276 K N 4.325 124.373 120.400 -0.586 0.000 2.427 276 K HA 0.840 5.170 4.320 0.015 0.000 0.252 276 K C -0.309 175.933 176.600 -0.598 0.000 0.931 276 K CA -0.285 55.775 56.287 -0.378 0.000 0.793 276 K CB 1.727 34.085 32.500 -0.237 0.000 1.211 276 K HN 1.015 nan 8.250 nan 0.000 0.426 277 G N 1.495 110.129 108.800 -0.276 0.000 2.265 277 G HA2 -0.141 3.828 3.960 0.015 0.000 0.246 277 G HA3 -0.141 3.828 3.960 0.015 0.000 0.246 277 G C -1.796 173.123 174.900 0.032 0.000 1.299 277 G CA -0.639 44.355 45.100 -0.176 0.000 1.117 277 G HN 0.573 nan 8.290 nan 0.000 0.485 278 D N 1.050 121.510 120.400 0.100 0.000 2.316 278 D HA 0.563 5.212 4.640 0.015 0.000 0.245 278 D C -0.901 175.509 176.300 0.184 0.000 1.171 278 D CA -1.992 52.093 54.000 0.141 0.000 0.856 278 D CB 1.560 42.447 40.800 0.145 0.000 1.090 278 D HN 0.013 nan 8.370 nan 0.000 0.476 279 P HA -0.101 nan 4.420 nan 0.000 0.221 279 P C 0.928 178.198 177.300 -0.051 0.000 1.145 279 P CA 0.898 63.837 63.100 -0.268 0.000 0.795 279 P CB 0.360 31.528 31.700 -0.887 0.000 0.775 280 K N -0.104 120.405 120.400 0.183 0.000 2.228 280 K HA 0.119 4.449 4.320 0.015 0.000 0.202 280 K C 1.848 178.514 176.600 0.109 0.000 1.051 280 K CA 0.819 57.228 56.287 0.204 0.000 0.960 280 K CB -0.876 31.797 32.500 0.289 0.000 0.743 280 K HN -0.073 nan 8.250 nan 0.000 0.458 281 A N 0.366 123.258 122.820 0.120 0.000 2.239 281 A HA 0.017 4.346 4.320 0.015 0.000 0.209 281 A C 0.577 178.211 177.584 0.083 0.000 1.171 281 A CA 0.184 52.285 52.037 0.105 0.000 0.768 281 A CB -0.364 18.715 19.000 0.131 0.000 0.790 281 A HN 0.115 nan 8.150 nan 0.000 0.478 282 V N 0.330 120.247 119.914 0.004 0.000 2.637 282 V HA 0.395 4.524 4.120 0.015 0.000 0.296 282 V C -0.041 176.009 176.094 -0.073 0.000 1.046 282 V CA 0.264 62.504 62.300 -0.099 0.000 1.066 282 V CB 0.749 32.313 31.823 -0.433 0.000 0.968 282 V HN 0.488 nan 8.190 nan 0.000 0.483 283 K N 4.849 125.218 120.400 -0.052 0.000 2.568 283 K HA 0.441 4.770 4.320 0.015 0.000 0.273 283 K C -0.944 175.608 176.600 -0.081 0.000 0.951 283 K CA -0.848 55.396 56.287 -0.072 0.000 0.854 283 K CB 2.253 34.731 32.500 -0.036 0.000 1.424 283 K HN 0.738 nan 8.250 nan 0.000 0.427 284 I N 2.732 123.230 120.570 -0.120 0.000 2.752 284 I HA -0.047 4.132 4.170 0.015 0.000 0.287 284 I C 0.199 176.269 176.117 -0.078 0.000 1.188 284 I CA 0.591 61.818 61.300 -0.123 0.000 1.427 284 I CB 0.412 38.313 38.000 -0.164 0.000 1.365 284 I HN 0.567 nan 8.210 nan 0.000 0.585 285 E N 4.487 124.647 120.200 -0.067 0.000 2.243 285 E HA 0.205 4.564 4.350 0.015 0.000 0.260 285 E C 0.257 176.832 176.600 -0.042 0.000 0.985 285 E CA -0.665 55.708 56.400 -0.045 0.000 0.858 285 E CB 1.055 30.735 29.700 -0.033 0.000 1.210 285 E HN 0.563 nan 8.360 nan 0.000 0.411 286 E N 1.023 121.206 120.200 -0.029 0.000 2.070 286 E HA -0.247 4.112 4.350 0.015 0.000 0.197 286 E C 1.919 178.514 176.600 -0.009 0.000 1.004 286 E CA 2.585 58.974 56.400 -0.019 0.000 0.805 286 E CB -0.372 29.321 29.700 -0.012 0.000 0.744 286 E HN 0.586 nan 8.360 nan 0.000 0.451 287 S N -0.503 115.192 115.700 -0.008 0.000 2.447 287 S HA -0.103 4.376 4.470 0.015 0.000 0.233 287 S C 1.858 176.476 174.600 0.029 0.000 1.006 287 S CA 1.012 59.219 58.200 0.012 0.000 0.957 287 S CB -0.279 62.922 63.200 0.001 0.000 0.773 287 S HN 0.335 nan 8.310 nan 0.000 0.507 288 E N 1.047 121.236 120.200 -0.018 0.000 2.072 288 E HA -0.015 4.344 4.350 0.015 0.000 0.191 288 E C 1.957 178.576 176.600 0.032 0.000 0.985 288 E CA 1.310 57.694 56.400 -0.027 0.000 0.801 288 E CB -0.298 29.345 29.700 -0.096 0.000 0.750 288 E HN 0.571 nan 8.360 nan 0.000 0.452 289 I N 1.756 122.324 120.570 -0.004 0.000 2.113 289 I HA -0.306 3.873 4.170 0.015 0.000 0.238 289 I C 1.993 178.125 176.117 0.026 0.000 1.070 289 I CA 0.897 62.191 61.300 -0.010 0.000 1.332 289 I CB -0.409 37.574 38.000 -0.028 0.000 1.044 289 I HN 0.113 nan 8.210 nan 0.000 0.402 290 N N 0.514 119.238 118.700 0.039 0.000 2.060 290 N HA -0.291 4.458 4.740 0.015 0.000 0.195 290 N C 1.784 177.339 175.510 0.076 0.000 1.028 290 N CA 1.780 54.860 53.050 0.050 0.000 0.861 290 N CB -0.858 37.658 38.487 0.049 0.000 1.029 290 N HN 0.454 nan 8.380 nan 0.000 0.428 291 Y N 1.413 121.699 120.300 -0.023 0.000 2.145 291 Y HA -0.060 4.499 4.550 0.015 0.000 0.286 291 Y C 2.289 178.182 175.900 -0.012 0.000 1.145 291 Y CA 1.346 59.434 58.100 -0.020 0.000 1.148 291 Y CB -0.346 38.091 38.460 -0.038 0.000 0.981 291 Y HN -0.039 nan 8.280 nan 0.000 0.507 292 L N -0.485 120.820 121.223 0.136 0.000 2.056 292 L HA -0.213 4.136 4.340 0.015 0.000 0.207 292 L C 2.418 179.296 176.870 0.013 0.000 1.078 292 L CA 1.062 55.929 54.840 0.046 0.000 0.749 292 L CB -0.602 41.482 42.059 0.041 0.000 0.901 292 L HN 0.303 nan 8.230 nan 0.000 0.433 293 L N -0.187 121.049 121.223 0.021 0.000 2.083 293 L HA -0.233 4.116 4.340 0.015 0.000 0.209 293 L C 2.529 179.448 176.870 0.083 0.000 1.083 293 L CA 1.196 56.070 54.840 0.057 0.000 0.752 293 L CB -0.782 41.295 42.059 0.031 0.000 0.899 293 L HN 0.470 nan 8.230 nan 0.000 0.433 294 N N 0.437 119.141 118.700 0.006 0.000 2.018 294 N HA -0.232 4.517 4.740 0.015 0.000 0.196 294 N C 1.936 177.436 175.510 -0.017 0.000 1.043 294 N CA 2.119 55.155 53.050 -0.024 0.000 0.856 294 N CB -0.088 38.354 38.487 -0.076 0.000 1.042 294 N HN 0.201 nan 8.380 nan 0.000 0.423 295 V N 0.602 120.465 119.914 -0.085 0.000 2.515 295 V HA -0.181 3.948 4.120 0.015 0.000 0.250 295 V C 2.139 178.304 176.094 0.119 0.000 1.058 295 V CA 1.663 63.948 62.300 -0.023 0.000 1.064 295 V CB -0.878 30.842 31.823 -0.171 0.000 0.675 295 V HN 0.449 nan 8.190 nan 0.000 0.461 296 Y N 1.700 122.025 120.300 0.042 0.000 2.089 296 Y HA -0.230 4.329 4.550 0.015 0.000 0.282 296 Y C 2.430 178.465 175.900 0.225 0.000 1.139 296 Y CA 2.519 60.702 58.100 0.137 0.000 1.123 296 Y CB -0.427 38.028 38.460 -0.008 0.000 0.980 296 Y HN 0.338 nan 8.280 nan 0.000 0.493 297 N N -0.601 118.174 118.700 0.124 0.000 2.381 297 N HA -0.122 4.627 4.740 0.015 0.000 0.182 297 N C 1.686 177.176 175.510 -0.034 0.000 1.025 297 N CA 1.536 54.616 53.050 0.050 0.000 0.888 297 N CB -0.428 38.140 38.487 0.135 0.000 0.965 297 N HN 0.416 nan 8.380 nan 0.000 0.438 298 T N -0.315 114.228 114.554 -0.018 0.000 2.867 298 T HA -0.038 4.321 4.350 0.015 0.000 0.268 298 T C 1.410 176.003 174.700 -0.179 0.000 1.057 298 T CA 0.910 62.966 62.100 -0.074 0.000 1.136 298 T CB 0.009 68.859 68.868 -0.030 0.000 0.874 298 T HN 0.423 nan 8.240 nan 0.000 0.466 299 H N -1.535 117.397 119.070 -0.230 0.000 2.476 299 H HA 0.227 4.792 4.556 0.015 0.000 0.292 299 H C -0.021 174.937 175.328 -0.617 0.000 1.019 299 H CA 0.342 56.151 56.048 -0.399 0.000 1.330 299 H CB 0.336 29.825 29.762 -0.455 0.000 1.451 299 H HN 0.285 nan 8.280 nan 0.000 0.535 300 F N 0.954 120.656 119.950 -0.412 0.000 2.425 300 F HA 0.236 4.772 4.527 0.015 0.000 0.331 300 F C 1.499 177.139 175.800 -0.266 0.000 1.085 300 F CA -0.655 57.083 58.000 -0.438 0.000 1.028 300 F CB 1.832 40.392 39.000 -0.733 0.000 1.177 300 F HN -0.275 nan 8.300 nan 0.000 0.487 301 K N 0.417 120.819 120.400 0.004 0.000 2.103 301 K HA -0.062 4.267 4.320 0.015 0.000 0.204 301 K C 0.777 177.424 176.600 0.078 0.000 1.052 301 K CA 0.845 57.142 56.287 0.018 0.000 0.945 301 K CB 0.078 32.587 32.500 0.015 0.000 0.722 301 K HN 0.258 nan 8.250 nan 0.000 0.443 302 K N 2.640 123.128 120.400 0.148 0.000 2.315 302 K HA 0.017 4.346 4.320 0.015 0.000 0.291 302 K C -0.525 176.227 176.600 0.253 0.000 1.074 302 K CA 0.212 56.600 56.287 0.169 0.000 0.936 302 K CB 0.592 33.195 32.500 0.173 0.000 1.049 302 K HN 0.047 nan 8.250 nan 0.000 0.471 303 Q N 3.724 123.634 119.800 0.183 0.000 2.293 303 Q HA 0.274 4.623 4.340 0.015 0.000 0.251 303 Q C 0.001 176.102 176.000 0.169 0.000 0.930 303 Q CA -0.372 55.555 55.803 0.206 0.000 0.893 303 Q CB 1.269 30.072 28.738 0.109 0.000 1.215 303 Q HN 0.508 nan 8.270 nan 0.000 0.425 304 L N 1.074 122.402 121.223 0.175 0.000 2.331 304 L HA 0.450 4.799 4.340 0.015 0.000 0.275 304 L C 0.574 177.461 176.870 0.027 0.000 1.022 304 L CA -0.471 54.382 54.840 0.021 0.000 0.812 304 L CB 1.700 43.663 42.059 -0.159 0.000 1.257 304 L HN 0.691 nan 8.230 nan 0.000 0.435 305 S N 1.672 117.374 115.700 0.004 0.000 2.786 305 S HA 0.429 4.908 4.470 0.015 0.000 0.307 305 S C 0.884 175.478 174.600 -0.010 0.000 1.121 305 S CA -0.726 57.478 58.200 0.006 0.000 0.975 305 S CB 1.476 64.683 63.200 0.012 0.000 1.220 305 S HN 0.752 nan 8.310 nan 0.000 0.550 306 R N 0.044 120.541 120.500 -0.006 0.000 2.148 306 R HA -0.023 4.326 4.340 0.015 0.000 0.227 306 R C 0.329 176.624 176.300 -0.007 0.000 1.103 306 R CA 1.663 57.757 56.100 -0.011 0.000 0.983 306 R CB -0.925 29.370 30.300 -0.007 0.000 0.874 306 R HN 0.561 nan 8.270 nan 0.000 0.451 307 D N 1.374 121.774 120.400 0.000 0.000 2.310 307 D HA -0.109 4.540 4.640 0.015 0.000 0.212 307 D C 0.866 177.171 176.300 0.008 0.000 0.965 307 D CA 0.872 54.875 54.000 0.006 0.000 0.879 307 D CB -0.223 40.583 40.800 0.010 0.000 0.921 307 D HN 0.314 nan 8.370 nan 0.000 0.510 308 D N 0.259 120.659 120.400 -0.001 0.000 2.264 308 D HA -0.024 4.625 4.640 0.015 0.000 0.208 308 D C 0.868 177.171 176.300 0.005 0.000 0.966 308 D CA 0.211 54.209 54.000 -0.004 0.000 0.864 308 D CB 0.306 41.088 40.800 -0.030 0.000 0.933 308 D HN 0.299 nan 8.370 nan 0.000 0.499 309 I N 1.627 122.197 120.570 -0.001 0.000 2.533 309 I HA -0.079 4.100 4.170 0.015 0.000 0.284 309 I C 1.673 177.816 176.117 0.043 0.000 1.109 309 I CA -0.273 61.030 61.300 0.005 0.000 1.412 309 I CB 1.524 39.512 38.000 -0.020 0.000 1.396 309 I HN -0.184 nan 8.210 nan 0.000 0.543 310 V N 3.717 123.678 119.914 0.077 0.000 3.431 310 V HA 0.260 4.389 4.120 0.015 0.000 0.253 310 V C -0.040 176.172 176.094 0.196 0.000 1.184 310 V CA 0.013 62.375 62.300 0.104 0.000 1.104 310 V CB -0.070 31.808 31.823 0.092 0.000 0.799 310 V HN 0.804 nan 8.190 nan 0.000 0.462 311 W N 0.495 121.767 121.300 -0.047 0.000 3.153 311 W HA 0.626 5.295 4.660 0.015 0.000 0.316 311 W C -1.149 175.343 176.519 -0.044 0.000 1.255 311 W CA 0.027 57.346 57.345 -0.044 0.000 1.192 311 W CB 1.168 30.621 29.460 -0.012 0.000 1.400 311 W HN 0.176 nan 8.180 nan 0.000 0.568 312 T N 1.121 115.283 114.554 -0.654 0.000 2.896 312 T HA 0.837 5.197 4.350 0.015 0.000 0.297 312 T C -1.278 172.775 174.700 -1.080 0.000 1.108 312 T CA -0.556 61.135 62.100 -0.682 0.000 1.004 312 T CB 2.280 70.914 68.868 -0.390 0.000 1.159 312 T HN 0.868 nan 8.240 nan 0.000 0.499 313 Y N -1.409 118.359 120.300 -0.887 0.000 2.655 313 Y HA 0.881 5.440 4.550 0.015 0.000 0.336 313 Y C -0.646 175.033 175.900 -0.369 0.000 1.154 313 Y CA -1.171 56.478 58.100 -0.751 0.000 1.055 313 Y CB 1.463 39.369 38.460 -0.923 0.000 1.295 313 Y HN 0.934 nan 8.280 nan 0.000 0.465 314 S N -0.171 115.483 115.700 -0.077 0.000 2.537 314 S HA 0.838 5.317 4.470 0.015 0.000 0.271 314 S C -1.010 173.549 174.600 -0.068 0.000 1.148 314 S CA 0.064 58.198 58.200 -0.110 0.000 0.868 314 S CB 1.502 64.601 63.200 -0.169 0.000 1.115 314 S HN 1.694 nan 8.310 nan 0.000 0.461 315 G N 0.654 109.394 108.800 -0.099 0.000 2.660 315 G HA2 0.637 4.606 3.960 0.015 0.000 0.290 315 G HA3 0.637 4.606 3.960 0.015 0.000 0.290 315 G C -1.167 173.609 174.900 -0.207 0.000 1.432 315 G CA -0.071 44.957 45.100 -0.119 0.000 0.807 315 G HN 1.556 nan 8.290 nan 0.000 0.485 316 V N -1.296 118.469 119.914 -0.248 0.000 2.409 316 V HA 0.675 4.804 4.120 0.015 0.000 0.291 316 V C 0.111 176.111 176.094 -0.156 0.000 1.020 316 V CA -1.318 60.821 62.300 -0.269 0.000 0.848 316 V CB 1.085 32.643 31.823 -0.440 0.000 0.990 316 V HN 0.730 nan 8.190 nan 0.000 0.430 317 R N 5.814 126.253 120.500 -0.100 0.000 2.458 317 R HA 0.264 4.613 4.340 0.015 0.000 0.303 317 R C -2.346 173.920 176.300 -0.057 0.000 1.013 317 R CA -1.031 55.036 56.100 -0.054 0.000 1.026 317 R CB 0.497 30.781 30.300 -0.025 0.000 0.948 317 R HN 0.618 nan 8.270 nan 0.000 0.417 318 P HA 0.118 nan 4.420 nan 0.000 0.251 318 P C -0.756 176.553 177.300 0.015 0.000 1.718 318 P CA -0.015 63.069 63.100 -0.028 0.000 1.119 318 P CB 0.377 32.058 31.700 -0.032 0.000 1.762 319 L N 2.622 123.852 121.223 0.012 0.000 2.292 319 L HA 0.312 4.661 4.340 0.015 0.000 0.284 319 L C 1.018 177.909 176.870 0.034 0.000 1.065 319 L CA -0.932 53.913 54.840 0.008 0.000 0.806 319 L CB 1.247 43.290 42.059 -0.026 0.000 1.175 319 L HN 0.294 nan 8.230 nan 0.000 0.431 320 C N 3.071 122.392 119.300 0.035 0.000 2.517 320 C HA -0.085 4.384 4.460 0.015 0.000 0.403 320 C C 0.879 175.855 174.990 -0.023 0.000 1.467 320 C CA -0.306 58.719 59.018 0.012 0.000 1.542 320 C CB -0.729 26.956 27.740 -0.092 0.000 2.482 320 C HN 0.711 nan 8.230 nan 0.000 0.610 321 D N 4.027 124.429 120.400 0.003 0.000 2.441 321 D HA 0.051 4.700 4.640 0.015 0.000 0.243 321 D C 0.991 177.279 176.300 -0.021 0.000 1.257 321 D CA -0.008 53.988 54.000 -0.007 0.000 1.027 321 D CB 0.254 41.060 40.800 0.010 0.000 1.084 321 D HN 0.737 nan 8.370 nan 0.000 0.514 322 D N 2.492 122.864 120.400 -0.045 0.000 2.352 322 D HA -0.107 4.542 4.640 0.015 0.000 0.232 322 D C 0.169 176.445 176.300 -0.039 0.000 1.055 322 D CA 0.069 54.040 54.000 -0.048 0.000 0.891 322 D CB -0.361 40.395 40.800 -0.073 0.000 0.897 322 D HN 0.578 nan 8.370 nan 0.000 0.529 323 E N -1.493 118.687 120.200 -0.033 0.000 2.957 323 E HA -0.239 4.120 4.350 0.015 0.000 0.287 323 E C 0.681 177.263 176.600 -0.031 0.000 0.976 323 E CA 0.557 56.940 56.400 -0.028 0.000 0.907 323 E CB -1.661 28.025 29.700 -0.024 0.000 1.456 323 E HN 0.206 nan 8.360 nan 0.000 0.421 324 S N -0.672 115.003 115.700 -0.041 0.000 2.353 324 S HA -0.224 4.255 4.470 0.015 0.000 0.222 324 S C 1.186 175.766 174.600 -0.033 0.000 1.035 324 S CA 1.635 59.808 58.200 -0.045 0.000 1.025 324 S CB 0.024 63.181 63.200 -0.071 0.000 0.902 324 S HN 0.580 nan 8.310 nan 0.000 0.440 325 D N -1.887 118.493 120.400 -0.032 0.000 2.309 325 D HA -0.142 4.507 4.640 0.015 0.000 0.250 325 D C 0.064 176.349 176.300 -0.026 0.000 0.813 325 D CA 0.986 54.971 54.000 -0.024 0.000 1.614 325 D CB -1.393 39.397 40.800 -0.016 0.000 1.373 325 D HN 0.373 nan 8.370 nan 0.000 0.708 326 S N 1.137 116.820 115.700 -0.027 0.000 2.452 326 S HA 0.482 4.961 4.470 0.015 0.000 0.284 326 S C -1.803 172.771 174.600 -0.044 0.000 1.171 326 S CA -1.171 57.014 58.200 -0.027 0.000 1.064 326 S CB 1.894 65.089 63.200 -0.009 0.000 0.967 326 S HN 0.001 nan 8.310 nan 0.000 0.484 327 P HA -0.188 nan 4.420 nan 0.000 0.216 327 P C 1.501 178.768 177.300 -0.055 0.000 1.150 327 P CA 0.937 64.007 63.100 -0.051 0.000 0.837 327 P CB 0.072 31.742 31.700 -0.050 0.000 0.786 328 Q N -0.596 119.181 119.800 -0.039 0.000 2.224 328 Q HA -0.085 4.264 4.340 0.015 0.000 0.203 328 Q C 1.755 177.716 176.000 -0.066 0.000 0.970 328 Q CA 1.702 57.497 55.803 -0.012 0.000 0.865 328 Q CB -0.852 27.902 28.738 0.027 0.000 0.922 328 Q HN 0.126 nan 8.270 nan 0.000 0.445 329 A N 0.994 123.734 122.820 -0.133 0.000 2.178 329 A HA 0.211 4.540 4.320 0.015 0.000 0.211 329 A C 1.016 178.384 177.584 -0.359 0.000 1.157 329 A CA -0.336 51.481 52.037 -0.366 0.000 0.780 329 A CB -0.195 18.697 19.000 -0.179 0.000 0.828 329 A HN 0.341 nan 8.150 nan 0.000 0.476 330 I N 1.031 121.476 120.570 -0.208 0.000 2.775 330 I HA -0.025 4.154 4.170 0.015 0.000 0.290 330 I C 1.159 177.138 176.117 -0.231 0.000 1.203 330 I CA 0.068 61.262 61.300 -0.176 0.000 1.433 330 I CB 0.594 38.526 38.000 -0.113 0.000 1.354 330 I HN 0.093 nan 8.210 nan 0.000 0.579 331 T N 4.923 119.345 114.554 -0.218 0.000 2.940 331 T HA 0.049 4.408 4.350 0.015 0.000 0.309 331 T C 1.043 175.589 174.700 -0.256 0.000 1.056 331 T CA 0.114 62.058 62.100 -0.261 0.000 1.137 331 T CB 0.402 69.147 68.868 -0.205 0.000 0.976 331 T HN 0.554 nan 8.240 nan 0.000 0.547 332 R N 1.736 122.008 120.500 -0.380 0.000 2.280 332 R HA 0.195 4.544 4.340 0.015 0.000 0.195 332 R C 0.380 176.582 176.300 -0.162 0.000 0.935 332 R CA -0.131 55.792 56.100 -0.294 0.000 1.033 332 R CB 0.132 30.137 30.300 -0.493 0.000 0.964 332 R HN 0.627 nan 8.270 nan 0.000 0.489 333 D N 0.340 120.627 120.400 -0.189 0.000 2.449 333 D HA -0.098 4.551 4.640 0.015 0.000 0.236 333 D C -0.442 175.828 176.300 -0.051 0.000 1.149 333 D CA 0.204 54.127 54.000 -0.130 0.000 0.878 333 D CB 0.486 41.156 40.800 -0.216 0.000 1.198 333 D HN 0.021 nan 8.370 nan 0.000 0.446 334 Y N -0.371 119.901 120.300 -0.048 0.000 2.300 334 Y HA 0.531 5.089 4.550 0.015 0.000 0.328 334 Y C 0.069 175.943 175.900 -0.043 0.000 1.270 334 Y CA -0.808 57.277 58.100 -0.024 0.000 1.352 334 Y CB 0.489 38.956 38.460 0.012 0.000 1.286 334 Y HN 0.016 nan 8.280 nan 0.000 0.536 335 T N 4.182 118.784 114.554 0.080 0.000 2.848 335 T HA 0.534 4.894 4.350 0.015 0.000 0.285 335 T C -0.699 174.118 174.700 0.195 0.000 0.995 335 T CA -0.715 61.360 62.100 -0.043 0.000 0.970 335 T CB 0.727 69.332 68.868 -0.437 0.000 0.976 335 T HN 0.593 nan 8.240 nan 0.000 0.441 336 L N 2.740 124.098 121.223 0.226 0.000 2.317 336 L HA 0.629 4.978 4.340 0.015 0.000 0.281 336 L C -0.207 176.841 176.870 0.295 0.000 1.024 336 L CA -0.891 54.127 54.840 0.297 0.000 0.810 336 L CB 1.493 43.716 42.059 0.274 0.000 1.240 336 L HN 0.603 nan 8.230 nan 0.000 0.427 337 D N 2.612 123.253 120.400 0.401 0.000 2.256 337 D HA 0.578 5.227 4.640 0.015 0.000 0.246 337 D C -1.196 175.308 176.300 0.340 0.000 1.042 337 D CA -0.370 53.864 54.000 0.390 0.000 0.841 337 D CB 2.091 43.182 40.800 0.485 0.000 1.223 337 D HN 0.428 nan 8.370 nan 0.000 0.470 338 I N 3.345 124.093 120.570 0.296 0.000 2.509 338 I HA 0.414 4.593 4.170 0.015 0.000 0.293 338 I C -1.634 174.679 176.117 0.326 0.000 1.020 338 I CA -0.542 60.926 61.300 0.280 0.000 1.088 338 I CB 1.315 39.454 38.000 0.231 0.000 1.267 338 I HN 0.488 nan 8.210 nan 0.000 0.430 339 H N 5.061 124.244 119.070 0.190 0.000 2.856 339 H HA 0.350 4.915 4.556 0.016 0.000 0.355 339 H C -1.783 173.634 175.328 0.150 0.000 1.079 339 H CA -0.637 55.517 56.048 0.176 0.000 1.240 339 H CB 2.025 31.905 29.762 0.197 0.000 1.701 339 H HN 0.782 nan 8.280 nan 0.000 0.527 340 D N 1.787 122.132 120.400 -0.092 0.000 2.449 340 D HA 0.262 4.911 4.640 0.015 0.000 0.250 340 D C -0.548 175.730 176.300 -0.037 0.000 1.050 340 D CA -0.731 53.259 54.000 -0.018 0.000 1.024 340 D CB 1.848 42.684 40.800 0.060 0.000 1.218 340 D HN 0.326 nan 8.370 nan 0.000 0.566 341 E N -0.039 120.146 120.200 -0.025 0.000 2.235 341 E HA 0.228 4.587 4.350 0.015 0.000 0.252 341 E C -0.839 175.742 176.600 -0.032 0.000 0.886 341 E CA -0.727 55.658 56.400 -0.025 0.000 0.767 341 E CB 0.226 29.900 29.700 -0.043 0.000 1.205 341 E HN 0.492 nan 8.360 nan 0.000 0.421 342 N N 2.718 121.409 118.700 -0.015 0.000 2.815 342 N HA -0.187 4.562 4.740 0.015 0.000 0.248 342 N C 0.584 176.097 175.510 0.005 0.000 1.110 342 N CA 1.090 54.134 53.050 -0.010 0.000 0.699 342 N CB -1.541 36.935 38.487 -0.019 0.000 1.040 342 N HN 0.925 nan 8.380 nan 0.000 0.555 343 G N -1.161 107.658 108.800 0.032 0.000 2.166 343 G HA2 -0.372 3.598 3.960 0.015 0.000 0.260 343 G HA3 -0.372 3.598 3.960 0.015 0.000 0.260 343 G C 0.115 175.109 174.900 0.156 0.000 0.986 343 G CA 1.334 46.485 45.100 0.085 0.000 0.683 343 G HN 0.592 nan 8.290 nan 0.000 0.527 344 K N -0.977 119.473 120.400 0.083 0.000 2.378 344 K HA 0.730 5.059 4.320 0.015 0.000 0.244 344 K C 0.691 177.245 176.600 -0.075 0.000 1.039 344 K CA -0.699 55.609 56.287 0.035 0.000 0.863 344 K CB 1.773 34.260 32.500 -0.023 0.000 1.326 344 K HN 1.417 nan 8.250 nan 0.000 0.460 345 A N 1.344 124.088 122.820 -0.127 0.000 2.203 345 A HA -0.103 4.226 4.320 0.015 0.000 0.279 345 A C -2.294 175.307 177.584 0.028 0.000 1.396 345 A CA -0.120 51.794 52.037 -0.204 0.000 0.747 345 A CB -1.837 16.699 19.000 -0.773 0.000 1.151 345 A HN 0.309 nan 8.150 nan 0.000 0.345 346 P HA 0.440 nan 4.420 nan 0.000 0.272 346 P C -0.371 177.112 177.300 0.305 0.000 1.230 346 P CA -0.189 62.828 63.100 -0.138 0.000 0.788 346 P CB 0.944 32.144 31.700 -0.833 0.000 0.949 347 L N 3.034 124.425 121.223 0.280 0.000 2.372 347 L HA 0.507 4.856 4.340 0.015 0.000 0.273 347 L C -1.341 175.640 176.870 0.186 0.000 0.989 347 L CA -0.711 54.263 54.840 0.223 0.000 0.841 347 L CB 0.888 43.161 42.059 0.357 0.000 1.225 347 L HN 0.215 nan 8.230 nan 0.000 0.414 348 L N 4.895 126.177 121.223 0.099 0.000 2.295 348 L HA 0.817 5.166 4.340 0.015 0.000 0.285 348 L C -0.359 176.584 176.870 0.122 0.000 1.035 348 L CA 0.080 55.004 54.840 0.140 0.000 0.806 348 L CB 1.545 43.665 42.059 0.102 0.000 1.214 348 L HN 0.875 nan 8.230 nan 0.000 0.426 349 S N 3.676 119.518 115.700 0.238 0.000 2.526 349 S HA 0.800 5.279 4.470 0.015 0.000 0.293 349 S C -0.965 173.717 174.600 0.138 0.000 1.092 349 S CA -0.795 57.529 58.200 0.207 0.000 0.980 349 S CB 1.955 65.488 63.200 0.555 0.000 1.048 349 S HN 0.325 nan 8.310 nan 0.000 0.483 350 V N 2.615 122.437 119.914 -0.153 0.000 2.495 350 V HA 0.591 4.720 4.120 0.015 0.000 0.298 350 V C -1.403 174.460 176.094 -0.385 0.000 1.031 350 V CA -0.582 61.653 62.300 -0.107 0.000 0.871 350 V CB 0.798 32.571 31.823 -0.084 0.000 0.988 350 V HN 0.872 nan 8.190 nan 0.000 0.432 351 F N 2.908 122.905 119.950 0.077 0.000 2.460 351 F HA 0.796 5.332 4.527 0.015 0.000 0.341 351 F C 0.834 176.652 175.800 0.030 0.000 1.130 351 F CA 0.269 58.290 58.000 0.034 0.000 0.962 351 F CB 1.659 40.629 39.000 -0.050 0.000 1.171 351 F HN 0.910 nan 8.300 nan 0.000 0.436 352 G N 1.500 110.372 108.800 0.120 0.000 2.632 352 G HA2 0.387 4.356 3.960 0.015 0.000 0.224 352 G HA3 0.387 4.356 3.960 0.015 0.000 0.224 352 G C -0.090 174.866 174.900 0.093 0.000 1.341 352 G CA -0.071 45.087 45.100 0.095 0.000 0.880 352 G HN 1.980 nan 8.290 nan 0.000 0.566 353 G N -0.903 107.965 108.800 0.114 0.000 2.798 353 G HA2 0.335 4.304 3.960 0.015 0.000 0.658 353 G HA3 0.335 4.304 3.960 0.015 0.000 0.658 353 G C -0.157 174.759 174.900 0.027 0.000 1.148 353 G CA 0.607 45.748 45.100 0.069 0.000 1.200 353 G HN 0.948 nan 8.290 nan 0.000 0.519 354 K N 1.012 121.451 120.400 0.066 0.000 2.494 354 K HA 0.155 4.484 4.320 0.015 0.000 0.273 354 K C 1.769 178.400 176.600 0.052 0.000 0.970 354 K CA -0.096 56.234 56.287 0.072 0.000 0.963 354 K CB 0.854 33.419 32.500 0.108 0.000 0.913 354 K HN 0.415 nan 8.250 nan 0.000 0.502 355 L N 2.730 123.982 121.223 0.048 0.000 2.012 355 L HA -0.247 4.102 4.340 0.015 0.000 0.210 355 L C 2.036 178.975 176.870 0.116 0.000 1.073 355 L CA 2.023 56.887 54.840 0.039 0.000 0.748 355 L CB -0.466 41.576 42.059 -0.029 0.000 0.891 355 L HN 0.798 nan 8.230 nan 0.000 0.431 356 T N -1.328 113.279 114.554 0.088 0.000 2.714 356 T HA -0.235 4.124 4.350 0.015 0.000 0.268 356 T C 1.430 176.144 174.700 0.023 0.000 1.036 356 T CA 1.988 64.127 62.100 0.066 0.000 1.148 356 T CB -0.593 68.302 68.868 0.045 0.000 0.856 356 T HN 0.711 nan 8.240 nan 0.000 0.462 357 T N -0.995 113.561 114.554 0.004 0.000 3.085 357 T HA 0.177 4.536 4.350 0.015 0.000 0.264 357 T C 1.534 176.092 174.700 -0.237 0.000 1.019 357 T CA -0.246 61.804 62.100 -0.083 0.000 0.910 357 T CB -0.499 68.400 68.868 0.053 0.000 1.059 357 T HN 0.577 nan 8.240 nan 0.000 0.542 358 Y N 2.133 122.315 120.300 -0.197 0.000 2.165 358 Y HA 0.037 4.596 4.550 0.015 0.000 0.286 358 Y C 2.418 178.163 175.900 -0.257 0.000 1.155 358 Y CA 1.126 59.082 58.100 -0.241 0.000 1.164 358 Y CB -0.357 37.996 38.460 -0.178 0.000 0.978 358 Y HN 0.155 nan 8.280 nan 0.000 0.513 359 R N 0.628 120.250 120.500 -1.463 0.000 2.090 359 R HA -0.103 4.246 4.340 0.015 0.000 0.228 359 R C 1.997 177.915 176.300 -0.636 0.000 1.110 359 R CA 1.093 56.481 56.100 -1.187 0.000 0.973 359 R CB -0.013 29.627 30.300 -1.101 0.000 0.869 359 R HN 0.207 nan 8.270 nan 0.000 0.440 360 K N 1.127 121.201 120.400 -0.544 0.000 2.026 360 K HA -0.157 4.172 4.320 0.015 0.000 0.208 360 K C 2.092 178.319 176.600 -0.622 0.000 1.048 360 K CA 0.953 56.931 56.287 -0.516 0.000 0.929 360 K CB -0.680 31.622 32.500 -0.331 0.000 0.713 360 K HN 0.254 nan 8.250 nan 0.000 0.439 361 L N 0.816 121.696 121.223 -0.572 0.000 2.013 361 L HA -0.245 4.104 4.340 0.015 0.000 0.212 361 L C 2.224 178.918 176.870 -0.293 0.000 1.073 361 L CA 1.958 56.447 54.840 -0.585 0.000 0.753 361 L CB -0.416 41.130 42.059 -0.856 0.000 0.890 361 L HN 0.161 nan 8.230 nan 0.000 0.432 362 A N -0.998 121.649 122.820 -0.288 0.000 1.972 362 A HA -0.267 4.062 4.320 0.015 0.000 0.219 362 A C 2.170 179.672 177.584 -0.136 0.000 1.169 362 A CA 1.919 53.854 52.037 -0.169 0.000 0.635 362 A CB -0.544 18.361 19.000 -0.158 0.000 0.810 362 A HN 0.643 nan 8.150 nan 0.000 0.446 363 E N -1.307 118.762 120.200 -0.219 0.000 2.051 363 E HA -0.158 4.201 4.350 0.015 0.000 0.189 363 E C 1.926 178.524 176.600 -0.004 0.000 0.979 363 E CA 0.715 57.021 56.400 -0.157 0.000 0.803 363 E CB -0.129 29.424 29.700 -0.246 0.000 0.761 363 E HN 0.703 nan 8.360 nan 0.000 0.451 364 H N 0.070 119.148 119.070 0.013 0.000 2.353 364 H HA -0.143 4.422 4.556 0.015 0.000 0.298 364 H C 1.974 177.351 175.328 0.083 0.000 1.103 364 H CA 1.452 57.544 56.048 0.074 0.000 1.293 364 H CB -0.722 29.130 29.762 0.150 0.000 1.372 364 H HN 0.274 nan 8.280 nan 0.000 0.501 365 A N 1.261 124.187 122.820 0.177 0.000 1.902 365 A HA -0.111 4.218 4.320 0.015 0.000 0.217 365 A C 2.499 180.161 177.584 0.130 0.000 1.181 365 A CA 1.182 53.301 52.037 0.135 0.000 0.623 365 A CB -0.536 18.505 19.000 0.069 0.000 0.818 365 A HN 0.215 nan 8.150 nan 0.000 0.443 366 L N -0.242 121.040 121.223 0.098 0.000 2.156 366 L HA -0.110 4.239 4.340 0.015 0.000 0.208 366 L C 2.374 179.333 176.870 0.147 0.000 1.095 366 L CA 1.951 56.856 54.840 0.108 0.000 0.770 366 L CB -1.334 40.769 42.059 0.072 0.000 0.914 366 L HN 0.638 nan 8.230 nan 0.000 0.439 367 E N 0.552 120.838 120.200 0.144 0.000 2.065 367 E HA -0.288 4.071 4.350 0.015 0.000 0.201 367 E C 1.963 178.664 176.600 0.169 0.000 1.016 367 E CA 1.857 58.346 56.400 0.149 0.000 0.818 367 E CB 0.138 29.931 29.700 0.156 0.000 0.749 367 E HN 0.415 nan 8.360 nan 0.000 0.453 368 K N -0.101 120.412 120.400 0.188 0.000 2.211 368 K HA -0.071 4.258 4.320 0.015 0.000 0.203 368 K C 2.074 178.863 176.600 0.315 0.000 1.050 368 K CA 0.768 57.188 56.287 0.222 0.000 0.945 368 K CB 0.012 32.637 32.500 0.207 0.000 0.732 368 K HN 0.198 nan 8.250 nan 0.000 0.451 369 L N 0.389 121.799 121.223 0.312 0.000 2.418 369 L HA -0.044 4.305 4.340 0.015 0.000 0.218 369 L C 2.000 179.200 176.870 0.550 0.000 1.125 369 L CA 0.563 55.678 54.840 0.458 0.000 0.835 369 L CB -0.406 41.887 42.059 0.390 0.000 0.953 369 L HN 0.138 nan 8.230 nan 0.000 0.454 370 T N 0.715 115.476 114.554 0.343 0.000 2.570 370 T HA -0.151 4.208 4.350 0.015 0.000 0.266 370 T C -0.402 174.403 174.700 0.175 0.000 1.071 370 T CA 1.799 64.053 62.100 0.258 0.000 1.172 370 T CB -1.202 67.762 68.868 0.161 0.000 0.864 370 T HN 0.202 nan 8.240 nan 0.000 0.421 371 P HA -0.151 nan 4.420 nan 0.000 0.219 371 P C 0.667 177.784 177.300 -0.304 0.000 1.151 371 P CA 1.503 64.472 63.100 -0.218 0.000 0.850 371 P CB -0.293 31.137 31.700 -0.451 0.000 0.784 372 Y N -3.857 116.434 120.300 -0.016 0.000 2.511 372 Y HA 0.095 4.653 4.550 0.013 0.000 0.279 372 Y C 0.517 176.168 175.900 -0.414 0.000 1.157 372 Y CA 0.076 58.032 58.100 -0.240 0.000 1.300 372 Y CB -0.458 37.775 38.460 -0.379 0.000 1.052 372 Y HN -0.058 nan 8.280 nan 0.000 0.529 373 Y N 0.295 120.692 120.300 0.161 0.000 2.376 373 Y HA 0.271 4.829 4.550 0.013 0.000 0.326 373 Y C 1.126 177.069 175.900 0.071 0.000 0.970 373 Y CA -1.767 56.405 58.100 0.120 0.000 1.248 373 Y CB 1.013 39.548 38.460 0.124 0.000 1.117 373 Y HN -0.152 nan 8.280 nan 0.000 0.476 374 Q N 2.898 122.798 119.800 0.167 0.000 1.693 374 Q HA -0.213 4.136 4.340 0.015 0.000 0.452 374 Q C 1.534 177.594 176.000 0.099 0.000 1.036 374 Q CA 2.388 58.255 55.803 0.105 0.000 0.860 374 Q CB -0.767 28.026 28.738 0.092 0.000 0.958 374 Q HN 0.943 nan 8.270 nan 0.000 0.399 375 G N 0.311 109.167 108.800 0.093 0.000 3.943 375 G HA2 0.341 4.310 3.960 0.015 0.000 0.275 375 G HA3 0.341 4.310 3.960 0.015 0.000 0.275 375 G C 0.130 175.072 174.900 0.069 0.000 1.234 375 G CA -0.328 44.813 45.100 0.069 0.000 1.522 375 G HN 0.397 nan 8.290 nan 0.000 0.636 376 I N 0.213 120.841 120.570 0.096 0.000 3.432 376 I HA 0.576 4.755 4.170 0.015 0.000 0.291 376 I C 1.185 177.345 176.117 0.071 0.000 1.127 376 I CA 0.933 62.284 61.300 0.086 0.000 0.962 376 I CB 1.119 39.202 38.000 0.137 0.000 1.550 376 I HN 0.551 nan 8.210 nan 0.000 0.736 377 G N 2.940 111.784 108.800 0.073 0.000 2.750 377 G HA2 -0.169 3.800 3.960 0.015 0.000 0.228 377 G HA3 -0.169 3.800 3.960 0.015 0.000 0.228 377 G C -2.817 172.132 174.900 0.080 0.000 1.367 377 G CA -0.251 44.909 45.100 0.100 0.000 0.871 377 G HN 0.622 nan 8.290 nan 0.000 0.560 378 P HA 0.652 nan 4.420 nan 0.000 0.310 378 P C 0.190 177.621 177.300 0.218 0.000 1.309 378 P CA 0.331 63.509 63.100 0.130 0.000 0.769 378 P CB 0.539 32.299 31.700 0.101 0.000 1.327 379 A N 0.044 122.965 122.820 0.168 0.000 2.466 379 A HA 0.297 4.626 4.320 0.015 0.000 0.238 379 A C 0.497 178.220 177.584 0.231 0.000 1.074 379 A CA -0.005 52.117 52.037 0.141 0.000 0.774 379 A CB -0.704 18.318 19.000 0.037 0.000 1.015 379 A HN 0.915 nan 8.150 nan 0.000 0.498 380 W N 0.308 121.601 121.300 -0.011 0.000 1.090 380 W HA 0.006 4.676 4.660 0.016 0.000 0.168 380 W C 0.613 177.125 176.519 -0.013 0.000 0.705 380 W CA 0.737 58.078 57.345 -0.008 0.000 0.686 380 W CB -0.942 28.516 29.460 -0.004 0.000 0.796 380 W HN 0.767 nan 8.180 nan 0.000 0.443 381 T N -1.072 113.033 114.554 -0.749 0.000 3.014 381 T HA 0.014 4.373 4.350 0.015 0.000 0.263 381 T C 1.633 176.117 174.700 -0.359 0.000 1.078 381 T CA 1.385 62.978 62.100 -0.846 0.000 1.135 381 T CB -0.038 68.248 68.868 -0.970 0.000 0.895 381 T HN 0.093 nan 8.240 nan 0.000 0.480 382 K N 1.017 121.271 120.400 -0.244 0.000 2.160 382 K HA -0.127 4.202 4.320 0.015 0.000 0.206 382 K C 1.453 178.015 176.600 -0.064 0.000 1.047 382 K CA 1.571 57.774 56.287 -0.140 0.000 0.930 382 K CB -0.027 32.413 32.500 -0.101 0.000 0.720 382 K HN 0.344 nan 8.250 nan 0.000 0.450 383 E N 0.123 120.312 120.200 -0.018 0.000 2.465 383 E HA 0.018 4.377 4.350 0.015 0.000 0.195 383 E C -0.315 176.335 176.600 0.084 0.000 1.028 383 E CA -0.220 56.204 56.400 0.041 0.000 0.899 383 E CB 0.858 30.597 29.700 0.065 0.000 1.032 383 E HN 0.258 nan 8.360 nan 0.000 0.468 384 S N -1.044 114.699 115.700 0.073 0.000 2.669 384 S HA 0.527 5.006 4.470 0.015 0.000 0.270 384 S C 0.166 174.825 174.600 0.098 0.000 1.225 384 S CA -0.900 57.392 58.200 0.153 0.000 0.991 384 S CB 1.703 65.016 63.200 0.190 0.000 0.987 384 S HN -0.096 nan 8.310 nan 0.000 0.552 385 V N 1.792 121.779 119.914 0.121 0.000 2.483 385 V HA 0.347 4.476 4.120 0.015 0.000 0.297 385 V C -0.146 176.014 176.094 0.109 0.000 1.027 385 V CA -0.732 61.624 62.300 0.093 0.000 0.855 385 V CB 1.317 33.181 31.823 0.069 0.000 0.995 385 V HN 0.844 nan 8.190 nan 0.000 0.424 386 L N 5.973 127.266 121.223 0.117 0.000 2.473 386 L HA 0.278 4.627 4.340 0.015 0.000 0.268 386 L C -2.038 174.888 176.870 0.093 0.000 1.215 386 L CA -1.441 53.479 54.840 0.134 0.000 0.823 386 L CB 0.499 42.658 42.059 0.166 0.000 1.099 386 L HN 0.407 nan 8.230 nan 0.000 0.483 387 P HA -0.030 nan 4.420 nan 0.000 0.260 387 P C 0.594 177.851 177.300 -0.072 0.000 1.172 387 P CA 1.233 64.358 63.100 0.042 0.000 0.760 387 P CB 0.479 32.238 31.700 0.098 0.000 0.773 388 G N 2.854 111.526 108.800 -0.214 0.000 2.234 388 G HA2 -0.221 3.748 3.960 0.015 0.000 0.235 388 G HA3 -0.221 3.748 3.960 0.015 0.000 0.235 388 G C 1.135 175.561 174.900 -0.789 0.000 0.997 388 G CA 0.066 44.831 45.100 -0.558 0.000 0.623 388 G HN 0.743 nan 8.290 nan 0.000 0.514 389 G N 0.415 108.972 108.800 -0.404 0.000 2.985 389 G HA2 0.481 4.450 3.960 0.015 0.000 0.209 389 G HA3 0.481 4.450 3.960 0.015 0.000 0.209 389 G C 0.966 175.806 174.900 -0.100 0.000 1.165 389 G CA 1.166 46.196 45.100 -0.118 0.000 0.776 389 G HN 1.615 nan 8.290 nan 0.000 0.541 390 A N 1.210 123.945 122.820 -0.142 0.000 3.063 390 A HA 0.485 4.814 4.320 0.015 0.000 0.263 390 A C 1.349 178.853 177.584 -0.134 0.000 1.736 390 A CA -0.274 51.712 52.037 -0.086 0.000 1.408 390 A CB -0.841 18.130 19.000 -0.048 0.000 1.108 390 A HN 0.591 nan 8.150 nan 0.000 0.621 391 I N -2.639 117.843 120.570 -0.146 0.000 3.939 391 I HA 0.192 4.371 4.170 0.015 0.000 0.313 391 I C 0.133 176.273 176.117 0.039 0.000 1.274 391 I CA 0.080 61.250 61.300 -0.217 0.000 1.301 391 I CB -0.323 37.410 38.000 -0.446 0.000 1.105 391 I HN 0.504 nan 8.210 nan 0.000 0.427 392 E N 1.993 122.219 120.200 0.043 0.000 2.291 392 E HA -0.191 4.168 4.350 0.015 0.000 0.181 392 E C 0.632 177.288 176.600 0.093 0.000 1.480 392 E CA 0.311 56.754 56.400 0.072 0.000 0.674 392 E CB -2.191 27.554 29.700 0.075 0.000 1.108 392 E HN 0.809 nan 8.360 nan 0.000 0.357 393 G N 1.133 109.985 108.800 0.087 0.000 3.873 393 G HA2 0.152 4.121 3.960 0.015 0.000 0.232 393 G HA3 0.152 4.121 3.960 0.015 0.000 0.232 393 G C -0.480 174.469 174.900 0.081 0.000 1.097 393 G CA 0.221 45.365 45.100 0.073 0.000 0.889 393 G HN 0.426 nan 8.290 nan 0.000 0.532 394 D N -0.036 120.420 120.400 0.093 0.000 2.738 394 D HA 0.522 5.171 4.640 0.015 0.000 0.237 394 D C 0.108 176.476 176.300 0.114 0.000 1.123 394 D CA -0.815 53.241 54.000 0.094 0.000 0.856 394 D CB 1.344 42.188 40.800 0.074 0.000 1.552 394 D HN -0.056 nan 8.370 nan 0.000 0.480 395 R N 2.132 122.696 120.500 0.107 0.000 2.756 395 R HA 0.316 4.665 4.340 0.015 0.000 0.264 395 R C -0.096 176.249 176.300 0.074 0.000 1.026 395 R CA 0.498 56.669 56.100 0.119 0.000 1.121 395 R CB 0.153 30.494 30.300 0.067 0.000 0.999 395 R HN 0.600 nan 8.270 nan 0.000 0.449 396 D N -0.619 119.828 120.400 0.078 0.000 2.724 396 D HA -0.179 4.470 4.640 0.015 0.000 0.239 396 D C 0.717 177.032 176.300 0.026 0.000 0.968 396 D CA 1.686 55.697 54.000 0.017 0.000 1.859 396 D CB -1.082 39.708 40.800 -0.016 0.000 1.327 396 D HN 0.600 nan 8.370 nan 0.000 0.636 397 D N -0.451 119.980 120.400 0.051 0.000 2.097 397 D HA -0.093 4.557 4.640 0.015 0.000 0.195 397 D C 1.940 178.280 176.300 0.067 0.000 0.989 397 D CA 1.210 55.240 54.000 0.050 0.000 0.827 397 D CB -0.508 40.332 40.800 0.066 0.000 0.966 397 D HN 0.415 nan 8.370 nan 0.000 0.456 398 Y N 1.564 121.873 120.300 0.014 0.000 2.165 398 Y HA -0.190 4.369 4.550 0.015 0.000 0.286 398 Y C 2.269 178.181 175.900 0.020 0.000 1.155 398 Y CA 1.601 59.715 58.100 0.024 0.000 1.164 398 Y CB -0.350 38.133 38.460 0.039 0.000 0.978 398 Y HN -0.044 nan 8.280 nan 0.000 0.513 399 A N -0.029 122.809 122.820 0.030 0.000 1.930 399 A HA -0.050 4.279 4.320 0.015 0.000 0.217 399 A C 2.413 179.930 177.584 -0.113 0.000 1.175 399 A CA 1.613 53.624 52.037 -0.044 0.000 0.627 399 A CB -1.367 17.636 19.000 0.005 0.000 0.815 399 A HN 0.546 nan 8.150 nan 0.000 0.443 400 A N 0.097 122.865 122.820 -0.087 0.000 1.877 400 A HA -0.168 4.161 4.320 0.015 0.000 0.216 400 A C 2.196 179.703 177.584 -0.127 0.000 1.186 400 A CA 1.558 53.540 52.037 -0.091 0.000 0.620 400 A CB -0.512 18.453 19.000 -0.059 0.000 0.822 400 A HN 0.529 nan 8.150 nan 0.000 0.443 401 R N -1.270 119.134 120.500 -0.161 0.000 2.139 401 R HA -0.146 4.203 4.340 0.015 0.000 0.243 401 R C 1.963 178.110 176.300 -0.255 0.000 1.145 401 R CA 1.408 57.387 56.100 -0.202 0.000 0.976 401 R CB -0.456 29.718 30.300 -0.210 0.000 0.866 401 R HN 0.447 nan 8.270 nan 0.000 0.449 402 L N 0.557 121.583 121.223 -0.329 0.000 2.072 402 L HA -0.050 4.299 4.340 0.015 0.000 0.205 402 L C 2.275 179.109 176.870 -0.060 0.000 1.079 402 L CA 1.614 56.339 54.840 -0.192 0.000 0.752 402 L CB -0.381 41.535 42.059 -0.238 0.000 0.906 402 L HN -0.018 nan 8.230 nan 0.000 0.436 403 R N -1.019 119.408 120.500 -0.121 0.000 2.081 403 R HA -0.155 4.194 4.340 0.015 0.000 0.235 403 R C 2.480 178.706 176.300 -0.123 0.000 1.131 403 R CA 1.357 57.382 56.100 -0.125 0.000 0.960 403 R CB -0.130 30.098 30.300 -0.120 0.000 0.856 403 R HN 0.245 nan 8.270 nan 0.000 0.436 404 R N 0.071 120.497 120.500 -0.122 0.000 2.080 404 R HA -0.152 4.197 4.340 0.015 0.000 0.236 404 R C 2.378 178.586 176.300 -0.154 0.000 1.137 404 R CA 1.759 57.788 56.100 -0.119 0.000 0.943 404 R CB -0.132 30.104 30.300 -0.107 0.000 0.846 404 R HN 0.160 nan 8.270 nan 0.000 0.431 405 R N -0.933 119.445 120.500 -0.203 0.000 2.083 405 R HA -0.136 4.213 4.340 0.015 0.000 0.237 405 R C 0.198 176.202 176.300 -0.492 0.000 1.137 405 R CA 1.399 57.276 56.100 -0.370 0.000 0.951 405 R CB -0.019 29.983 30.300 -0.496 0.000 0.851 405 R HN 0.217 nan 8.270 nan 0.000 0.434 406 Y N -0.380 119.780 120.300 -0.233 0.000 2.919 406 Y HA 0.275 4.834 4.550 0.015 0.000 0.341 406 Y C -1.856 173.716 175.900 -0.547 0.000 1.045 406 Y CA -2.430 55.427 58.100 -0.405 0.000 1.218 406 Y CB 1.470 39.567 38.460 -0.606 0.000 1.137 406 Y HN 0.106 nan 8.280 nan 0.000 0.577 407 P HA -0.063 nan 4.420 nan 0.000 0.245 407 P C 1.154 178.406 177.300 -0.079 0.000 1.206 407 P CA 0.485 63.511 63.100 -0.122 0.000 0.781 407 P CB -0.207 31.464 31.700 -0.048 0.000 0.994 408 F N -1.159 118.795 119.950 0.006 0.000 2.451 408 F HA 0.033 4.569 4.527 0.015 0.000 0.299 408 F C 0.621 176.401 175.800 -0.033 0.000 1.101 408 F CA -0.106 57.882 58.000 -0.021 0.000 1.436 408 F CB -1.571 37.409 39.000 -0.033 0.000 1.074 408 F HN -0.268 nan 8.300 nan 0.000 0.553 409 L N 3.091 124.023 121.223 -0.485 0.000 2.418 409 L HA 0.168 4.517 4.340 0.015 0.000 0.274 409 L C 1.094 177.865 176.870 -0.165 0.000 1.135 409 L CA -0.466 54.191 54.840 -0.304 0.000 0.870 409 L CB 0.393 42.229 42.059 -0.372 0.000 1.154 409 L HN 0.288 nan 8.230 nan 0.000 0.462 410 T N -0.879 113.608 114.554 -0.112 0.000 2.791 410 T HA -0.016 4.343 4.350 0.015 0.000 0.323 410 T C 1.011 175.628 174.700 -0.138 0.000 1.082 410 T CA -0.331 61.704 62.100 -0.109 0.000 1.084 410 T CB 0.781 69.586 68.868 -0.105 0.000 0.992 410 T HN 0.675 nan 8.240 nan 0.000 0.547 411 E N 0.720 120.847 120.200 -0.122 0.000 2.150 411 E HA -0.118 4.241 4.350 0.015 0.000 0.193 411 E C 2.529 179.044 176.600 -0.142 0.000 0.985 411 E CA 1.312 57.640 56.400 -0.120 0.000 0.814 411 E CB -0.173 29.468 29.700 -0.099 0.000 0.752 411 E HN 0.858 nan 8.360 nan 0.000 0.466 412 S N 1.311 116.910 115.700 -0.169 0.000 2.371 412 S HA -0.080 4.399 4.470 0.015 0.000 0.224 412 S C 2.105 176.560 174.600 -0.242 0.000 1.029 412 S CA 0.370 58.443 58.200 -0.211 0.000 0.978 412 S CB -0.424 62.616 63.200 -0.267 0.000 0.833 412 S HN 0.176 nan 8.310 nan 0.000 0.466 413 L N 1.235 122.292 121.223 -0.276 0.000 2.046 413 L HA -0.066 4.283 4.340 0.015 0.000 0.208 413 L C 2.992 179.615 176.870 -0.412 0.000 1.077 413 L CA 1.522 56.126 54.840 -0.393 0.000 0.747 413 L CB -0.894 40.934 42.059 -0.385 0.000 0.896 413 L HN 0.504 nan 8.230 nan 0.000 0.432 414 A N -0.204 122.465 122.820 -0.252 0.000 1.902 414 A HA -0.262 4.067 4.320 0.015 0.000 0.217 414 A C 2.377 179.922 177.584 -0.065 0.000 1.181 414 A CA 1.667 53.616 52.037 -0.148 0.000 0.623 414 A CB -0.587 18.338 19.000 -0.126 0.000 0.818 414 A HN 0.418 nan 8.150 nan 0.000 0.443 415 R N -1.182 119.269 120.500 -0.081 0.000 2.091 415 R HA -0.244 4.105 4.340 0.015 0.000 0.238 415 R C 2.195 178.499 176.300 0.006 0.000 1.136 415 R CA 2.142 58.219 56.100 -0.039 0.000 0.959 415 R CB -0.510 29.745 30.300 -0.074 0.000 0.856 415 R HN 0.756 nan 8.270 nan 0.000 0.437 416 H N -0.473 118.517 119.070 -0.134 0.000 2.321 416 H HA -0.174 4.391 4.556 0.015 0.000 0.300 416 H C 1.548 176.937 175.328 0.102 0.000 1.087 416 H CA 2.283 58.283 56.048 -0.080 0.000 1.319 416 H CB -0.392 29.262 29.762 -0.178 0.000 1.379 416 H HN 0.229 nan 8.280 nan 0.000 0.501 417 Y N 0.276 120.564 120.300 -0.021 0.000 2.165 417 Y HA -0.107 4.452 4.550 0.015 0.000 0.286 417 Y C 2.886 178.821 175.900 0.058 0.000 1.155 417 Y CA 1.039 59.162 58.100 0.037 0.000 1.164 417 Y CB -1.303 37.198 38.460 0.067 0.000 0.978 417 Y HN 0.447 nan 8.280 nan 0.000 0.513 418 A N 0.051 123.023 122.820 0.255 0.000 1.897 418 A HA -0.150 4.179 4.320 0.015 0.000 0.215 418 A C 2.256 179.942 177.584 0.170 0.000 1.181 418 A CA 1.368 53.592 52.037 0.310 0.000 0.620 418 A CB -0.511 18.698 19.000 0.348 0.000 0.821 418 A HN 0.378 nan 8.150 nan 0.000 0.443 419 R N -1.183 119.368 120.500 0.085 0.000 2.307 419 R HA 0.005 4.354 4.340 0.015 0.000 0.199 419 R C 2.043 178.347 176.300 0.006 0.000 1.000 419 R CA 1.272 57.408 56.100 0.060 0.000 1.023 419 R CB -0.133 30.186 30.300 0.032 0.000 0.908 419 R HN 0.662 nan 8.270 nan 0.000 0.473 420 T N -1.899 112.570 114.554 -0.142 0.000 3.111 420 T HA 0.010 4.369 4.350 0.015 0.000 0.236 420 T C 1.254 175.750 174.700 -0.341 0.000 0.984 420 T CA 0.228 62.103 62.100 -0.375 0.000 1.195 420 T CB -0.080 68.399 68.868 -0.647 0.000 0.929 420 T HN 0.112 nan 8.240 nan 0.000 0.431 421 Y N 1.748 122.096 120.300 0.080 0.000 2.490 421 Y HA 0.428 4.987 4.550 0.015 0.000 0.285 421 Y C 2.211 178.068 175.900 -0.070 0.000 1.117 421 Y CA -0.132 57.981 58.100 0.020 0.000 1.262 421 Y CB -0.747 37.627 38.460 -0.143 0.000 1.043 421 Y HN 0.577 nan 8.280 nan 0.000 0.553 422 G N 0.929 109.761 108.800 0.053 0.000 2.651 422 G HA2 -0.444 3.525 3.960 0.015 0.000 0.315 422 G HA3 -0.444 3.525 3.960 0.015 0.000 0.315 422 G C 1.509 176.229 174.900 -0.301 0.000 1.258 422 G CA 1.522 46.490 45.100 -0.219 0.000 1.002 422 G HN 0.613 nan 8.290 nan 0.000 0.551 423 S N 0.319 115.753 115.700 -0.445 0.000 2.507 423 S HA -0.034 4.445 4.470 0.015 0.000 0.235 423 S C 1.593 176.139 174.600 -0.090 0.000 0.988 423 S CA 1.675 59.728 58.200 -0.245 0.000 0.944 423 S CB -0.340 62.722 63.200 -0.229 0.000 0.762 423 S HN 0.692 nan 8.310 nan 0.000 0.526 424 N N 1.103 119.749 118.700 -0.090 0.000 2.521 424 N HA 0.110 4.860 4.740 0.015 0.000 0.188 424 N C 1.270 176.631 175.510 -0.249 0.000 1.146 424 N CA 0.498 53.500 53.050 -0.080 0.000 0.893 424 N CB -0.070 38.455 38.487 0.064 0.000 0.975 424 N HN 0.336 nan 8.380 nan 0.000 0.451 425 S N 1.305 116.909 115.700 -0.159 0.000 2.383 425 S HA -0.218 4.261 4.470 0.015 0.000 0.229 425 S C 1.820 176.191 174.600 -0.381 0.000 1.030 425 S CA 1.298 59.309 58.200 -0.315 0.000 1.002 425 S CB -0.243 62.923 63.200 -0.057 0.000 0.829 425 S HN 0.621 nan 8.310 nan 0.000 0.467 426 E N 0.850 120.957 120.200 -0.155 0.000 2.208 426 E HA -0.081 4.278 4.350 0.015 0.000 0.193 426 E C 1.964 178.478 176.600 -0.145 0.000 0.988 426 E CA 0.639 56.999 56.400 -0.067 0.000 0.828 426 E CB -0.283 29.481 29.700 0.106 0.000 0.763 426 E HN 0.359 nan 8.360 nan 0.000 0.478 427 L N 1.044 122.135 121.223 -0.221 0.000 2.109 427 L HA 0.043 4.392 4.340 0.015 0.000 0.207 427 L C 2.210 178.886 176.870 -0.323 0.000 1.086 427 L CA 1.270 55.983 54.840 -0.212 0.000 0.760 427 L CB -0.434 41.519 42.059 -0.176 0.000 0.910 427 L HN 0.344 nan 8.230 nan 0.000 0.437 428 L N -1.374 119.389 121.223 -0.767 0.000 2.046 428 L HA -0.202 4.147 4.340 0.015 0.000 0.208 428 L C 2.262 178.832 176.870 -0.499 0.000 1.077 428 L CA 1.525 55.820 54.840 -0.907 0.000 0.747 428 L CB -0.127 41.022 42.059 -1.517 0.000 0.896 428 L HN 0.276 nan 8.230 nan 0.000 0.432 429 L N -0.568 120.367 121.223 -0.479 0.000 2.240 429 L HA 0.083 4.432 4.340 0.015 0.000 0.211 429 L C 1.807 178.603 176.870 -0.124 0.000 1.106 429 L CA 0.548 55.195 54.840 -0.322 0.000 0.793 429 L CB -0.953 40.807 42.059 -0.497 0.000 0.927 429 L HN 0.571 nan 8.230 nan 0.000 0.446 430 G N 1.697 110.443 108.800 -0.090 0.000 2.672 430 G HA2 -0.488 3.481 3.960 0.015 0.000 0.324 430 G HA3 -0.488 3.481 3.960 0.015 0.000 0.324 430 G C 0.588 175.513 174.900 0.041 0.000 1.286 430 G CA 0.793 45.885 45.100 -0.013 0.000 1.004 430 G HN 0.559 nan 8.290 nan 0.000 0.548 431 N N 1.785 120.497 118.700 0.020 0.000 2.322 431 N HA 0.510 5.259 4.740 0.015 0.000 0.194 431 N C 0.861 176.373 175.510 0.003 0.000 1.126 431 N CA 1.213 54.278 53.050 0.024 0.000 0.845 431 N CB -0.350 38.140 38.487 0.005 0.000 0.976 431 N HN 1.290 nan 8.380 nan 0.000 0.475 432 A N -0.203 122.608 122.820 -0.014 0.000 2.567 432 A HA 0.472 4.801 4.320 0.015 0.000 0.240 432 A C 1.218 178.720 177.584 -0.136 0.000 1.053 432 A CA 0.383 52.347 52.037 -0.122 0.000 0.755 432 A CB -0.184 18.733 19.000 -0.137 0.000 0.978 432 A HN 0.461 nan 8.150 nan 0.000 0.507 433 G N 0.930 109.500 108.800 -0.384 0.000 3.443 433 G HA2 0.416 4.385 3.960 0.015 0.000 0.252 433 G HA3 0.416 4.385 3.960 0.015 0.000 0.252 433 G C 0.354 174.824 174.900 -0.717 0.000 1.015 433 G CA 0.834 45.724 45.100 -0.350 0.000 0.891 433 G HN 1.210 nan 8.290 nan 0.000 0.510 434 T N -3.442 110.510 114.554 -1.003 0.000 2.838 434 T HA 0.461 4.820 4.350 0.015 0.000 0.292 434 T C 0.961 175.117 174.700 -0.906 0.000 1.113 434 T CA -0.268 61.349 62.100 -0.805 0.000 1.008 434 T CB 1.790 70.441 68.868 -0.362 0.000 1.259 434 T HN -0.151 nan 8.240 nan 0.000 0.520 435 V N 1.112 120.775 119.914 -0.419 0.000 2.343 435 V HA -0.141 3.988 4.120 0.015 0.000 0.247 435 V C 2.952 178.810 176.094 -0.393 0.000 1.051 435 V CA 2.547 64.656 62.300 -0.319 0.000 1.036 435 V CB -0.678 31.062 31.823 -0.139 0.000 0.654 435 V HN 1.081 nan 8.190 nan 0.000 0.451 436 S N -0.264 115.264 115.700 -0.288 0.000 2.419 436 S HA -0.205 4.274 4.470 0.015 0.000 0.233 436 S C 1.552 176.010 174.600 -0.236 0.000 1.016 436 S CA 1.536 59.604 58.200 -0.220 0.000 0.974 436 S CB -0.464 62.644 63.200 -0.154 0.000 0.786 436 S HN 0.647 nan 8.310 nan 0.000 0.492 437 D N 1.275 121.495 120.400 -0.300 0.000 2.350 437 D HA 0.040 4.689 4.640 0.015 0.000 0.216 437 D C 1.522 177.671 176.300 -0.252 0.000 0.968 437 D CA 0.480 54.324 54.000 -0.262 0.000 0.894 437 D CB -0.208 40.408 40.800 -0.306 0.000 0.909 437 D HN 0.452 nan 8.370 nan 0.000 0.520 438 L N -0.484 120.537 121.223 -0.336 0.000 2.478 438 L HA 0.151 4.500 4.340 0.015 0.000 0.223 438 L C 1.486 178.237 176.870 -0.198 0.000 1.140 438 L CA 0.280 54.924 54.840 -0.326 0.000 0.842 438 L CB -0.694 40.988 42.059 -0.628 0.000 0.953 438 L HN 0.085 nan 8.230 nan 0.000 0.452 439 G N 0.832 109.533 108.800 -0.166 0.000 2.584 439 G HA2 -0.318 3.651 3.960 0.015 0.000 0.229 439 G HA3 -0.318 3.651 3.960 0.015 0.000 0.229 439 G C -0.172 174.676 174.900 -0.086 0.000 1.320 439 G CA -0.138 44.901 45.100 -0.101 0.000 0.891 439 G HN 0.326 nan 8.290 nan 0.000 0.573 440 E N 0.331 120.407 120.200 -0.206 0.000 2.502 440 E HA 0.223 4.582 4.350 0.015 0.000 0.261 440 E C -0.429 175.875 176.600 -0.494 0.000 0.974 440 E CA 0.438 56.594 56.400 -0.405 0.000 0.936 440 E CB 0.338 29.636 29.700 -0.670 0.000 0.926 440 E HN 0.485 nan 8.360 nan 0.000 0.459 441 D N 4.097 124.284 120.400 -0.355 0.000 2.274 441 D HA 0.082 4.732 4.640 0.015 0.000 0.239 441 D C -0.412 175.633 176.300 -0.424 0.000 1.104 441 D CA -0.334 53.423 54.000 -0.404 0.000 0.840 441 D CB 0.370 41.026 40.800 -0.240 0.000 1.100 441 D HN 0.407 nan 8.370 nan 0.000 0.477 442 F N 1.997 121.845 119.950 -0.170 0.000 2.749 442 F HA 0.376 4.912 4.527 0.015 0.000 0.300 442 F C 1.479 177.259 175.800 -0.034 0.000 1.103 442 F CA 0.565 58.540 58.000 -0.042 0.000 1.342 442 F CB 0.407 39.452 39.000 0.075 0.000 1.098 442 F HN 0.557 nan 8.300 nan 0.000 0.586 443 G N -0.942 107.876 108.800 0.030 0.000 2.528 443 G HA2 -0.038 3.931 3.960 0.015 0.000 0.681 443 G HA3 -0.038 3.931 3.960 0.015 0.000 0.681 443 G C -0.115 174.787 174.900 0.003 0.000 1.340 443 G CA -0.620 44.486 45.100 0.011 0.000 0.855 443 G HN 0.392 nan 8.290 nan 0.000 0.649 444 H N 0.902 119.868 119.070 -0.172 0.000 2.594 444 H HA -0.215 4.350 4.556 0.015 0.000 0.316 444 H C 0.937 176.071 175.328 -0.322 0.000 1.107 444 H CA 1.922 57.804 56.048 -0.278 0.000 1.133 444 H CB -0.693 28.878 29.762 -0.320 0.000 1.459 444 H HN 1.067 nan 8.280 nan 0.000 0.411 445 E N -1.901 118.048 120.200 -0.418 0.000 2.637 445 E HA -0.265 4.094 4.350 0.015 0.000 0.265 445 E C -0.593 175.762 176.600 -0.409 0.000 1.073 445 E CA 0.731 56.792 56.400 -0.565 0.000 0.778 445 E CB -1.363 28.102 29.700 -0.391 0.000 1.362 445 E HN 0.366 nan 8.360 nan 0.000 0.413 446 F N 1.465 121.144 119.950 -0.452 0.000 2.303 446 F HA 0.366 4.902 4.527 0.015 0.000 0.368 446 F C -0.373 175.365 175.800 -0.103 0.000 1.105 446 F CA -0.559 57.340 58.000 -0.168 0.000 1.153 446 F CB 0.246 39.199 39.000 -0.080 0.000 1.362 446 F HN -0.129 nan 8.300 nan 0.000 0.511 447 Y N 3.178 123.332 120.300 -0.244 0.000 2.488 447 Y HA 0.182 4.741 4.550 0.015 0.000 0.325 447 Y C 1.702 177.410 175.900 -0.320 0.000 1.204 447 Y CA -0.445 57.520 58.100 -0.226 0.000 1.229 447 Y CB 0.972 39.342 38.460 -0.150 0.000 1.274 447 Y HN 0.611 nan 8.280 nan 0.000 0.493 448 E N 1.191 121.326 120.200 -0.107 0.000 2.147 448 E HA -0.303 4.056 4.350 0.015 0.000 0.199 448 E C 1.919 178.355 176.600 -0.274 0.000 1.005 448 E CA 1.634 57.893 56.400 -0.236 0.000 0.810 448 E CB -0.067 29.478 29.700 -0.258 0.000 0.736 448 E HN 0.848 nan 8.360 nan 0.000 0.460 449 A N 0.985 123.712 122.820 -0.155 0.000 1.940 449 A HA -0.266 4.063 4.320 0.015 0.000 0.219 449 A C 2.083 179.557 177.584 -0.184 0.000 1.176 449 A CA 1.799 53.748 52.037 -0.145 0.000 0.631 449 A CB -0.601 18.319 19.000 -0.134 0.000 0.814 449 A HN 0.516 nan 8.150 nan 0.000 0.446 450 E N -0.776 119.291 120.200 -0.222 0.000 2.046 450 E HA -0.162 4.197 4.350 0.015 0.000 0.190 450 E C 1.909 178.388 176.600 -0.201 0.000 0.982 450 E CA 1.150 57.407 56.400 -0.238 0.000 0.800 450 E CB -0.208 29.404 29.700 -0.148 0.000 0.756 450 E HN 0.393 nan 8.360 nan 0.000 0.449 451 L N 1.755 122.708 121.223 -0.450 0.000 2.046 451 L HA -0.159 4.190 4.340 0.015 0.000 0.208 451 L C 2.328 179.067 176.870 -0.218 0.000 1.077 451 L CA 1.936 56.551 54.840 -0.375 0.000 0.747 451 L CB -0.490 41.123 42.059 -0.744 0.000 0.896 451 L HN 0.046 nan 8.230 nan 0.000 0.432 452 K N -1.794 118.441 120.400 -0.275 0.000 2.026 452 K HA -0.277 4.052 4.320 0.015 0.000 0.208 452 K C 2.326 178.945 176.600 0.031 0.000 1.048 452 K CA 1.830 58.063 56.287 -0.090 0.000 0.929 452 K CB -0.501 31.940 32.500 -0.098 0.000 0.713 452 K HN 0.406 nan 8.250 nan 0.000 0.439 453 Y N 1.521 121.766 120.300 -0.090 0.000 2.224 453 Y HA -0.175 4.384 4.550 0.015 0.000 0.289 453 Y C 1.668 177.580 175.900 0.019 0.000 1.146 453 Y CA 1.442 59.523 58.100 -0.031 0.000 1.182 453 Y CB -0.134 38.206 38.460 -0.200 0.000 0.983 453 Y HN 0.023 nan 8.280 nan 0.000 0.524 454 L N -1.167 120.076 121.223 0.033 0.000 2.083 454 L HA -0.223 4.126 4.340 0.015 0.000 0.209 454 L C 2.350 179.215 176.870 -0.009 0.000 1.083 454 L CA 1.130 55.996 54.840 0.043 0.000 0.752 454 L CB -0.717 41.473 42.059 0.218 0.000 0.899 454 L HN 0.130 nan 8.230 nan 0.000 0.433 455 V N -0.408 119.541 119.914 0.058 0.000 2.358 455 V HA -0.258 3.871 4.120 0.015 0.000 0.246 455 V C 1.961 178.001 176.094 -0.090 0.000 1.047 455 V CA 1.803 64.162 62.300 0.099 0.000 1.035 455 V CB -0.427 31.604 31.823 0.347 0.000 0.658 455 V HN 0.419 nan 8.190 nan 0.000 0.452 456 D N -1.242 119.047 120.400 -0.185 0.000 2.194 456 D HA -0.058 4.591 4.640 0.015 0.000 0.204 456 D C 1.761 177.525 176.300 -0.894 0.000 0.964 456 D CA 1.303 55.025 54.000 -0.464 0.000 0.846 456 D CB -0.010 40.523 40.800 -0.445 0.000 0.962 456 D HN 0.618 nan 8.370 nan 0.000 0.490 457 H N -1.121 117.609 119.070 -0.567 0.000 3.440 457 H HA 0.300 4.865 4.556 0.015 0.000 0.259 457 H C 0.396 175.355 175.328 -0.616 0.000 1.120 457 H CA -0.018 55.624 56.048 -0.677 0.000 1.191 457 H CB 1.190 30.428 29.762 -0.873 0.000 1.537 457 H HN -0.037 nan 8.280 nan 0.000 0.547 458 E N -0.243 119.755 120.200 -0.338 0.000 2.812 458 E HA 0.010 4.369 4.350 0.015 0.000 0.211 458 E C -0.173 176.591 176.600 0.273 0.000 0.986 458 E CA -0.225 56.204 56.400 0.049 0.000 1.119 458 E CB 0.585 30.389 29.700 0.172 0.000 1.046 458 E HN 0.392 nan 8.360 nan 0.000 0.474 459 W N 0.253 121.552 121.300 -0.002 0.000 3.520 459 W HA -0.228 4.440 4.660 0.014 0.000 0.305 459 W C 0.043 176.587 176.519 0.041 0.000 1.150 459 W CA 0.293 57.644 57.345 0.010 0.000 0.656 459 W CB -1.985 27.474 29.460 -0.001 0.000 2.198 459 W HN -0.046 nan 8.180 nan 0.000 1.417 460 V N 2.102 122.135 119.914 0.198 0.000 2.529 460 V HA 0.017 4.146 4.120 0.015 0.000 0.292 460 V C 1.481 177.679 176.094 0.173 0.000 1.028 460 V CA 1.028 63.441 62.300 0.188 0.000 1.074 460 V CB 1.229 33.164 31.823 0.187 0.000 0.958 460 V HN 0.020 nan 8.190 nan 0.000 0.481 461 R N 3.348 123.945 120.500 0.161 0.000 2.470 461 R HA 0.324 4.673 4.340 0.015 0.000 0.210 461 R C 0.390 176.771 176.300 0.134 0.000 0.873 461 R CA 0.001 56.186 56.100 0.140 0.000 1.015 461 R CB 0.589 30.961 30.300 0.120 0.000 1.348 461 R HN 0.474 nan 8.270 nan 0.000 0.650 462 R N -0.426 120.152 120.500 0.130 0.000 2.854 462 R HA 0.531 4.880 4.340 0.015 0.000 0.271 462 R C 0.605 176.977 176.300 0.121 0.000 0.994 462 R CA -0.100 56.072 56.100 0.119 0.000 0.945 462 R CB 1.312 31.675 30.300 0.104 0.000 1.194 462 R HN -0.020 nan 8.270 nan 0.000 0.476 463 A N 0.881 123.765 122.820 0.106 0.000 1.948 463 A HA -0.220 4.109 4.320 0.015 0.000 0.220 463 A C 1.195 178.829 177.584 0.083 0.000 1.177 463 A CA 2.033 54.114 52.037 0.073 0.000 0.636 463 A CB -0.297 18.735 19.000 0.053 0.000 0.815 463 A HN 0.649 nan 8.150 nan 0.000 0.449 464 D N 0.049 120.543 120.400 0.155 0.000 2.178 464 D HA -0.082 4.567 4.640 0.015 0.000 0.202 464 D C 1.333 177.763 176.300 0.216 0.000 0.974 464 D CA 1.174 55.336 54.000 0.270 0.000 0.841 464 D CB -0.323 40.636 40.800 0.265 0.000 0.953 464 D HN 0.446 nan 8.370 nan 0.000 0.478 465 D N 0.489 120.984 120.400 0.159 0.000 2.123 465 D HA -0.130 4.519 4.640 0.015 0.000 0.196 465 D C 1.965 178.352 176.300 0.145 0.000 0.992 465 D CA 1.362 55.454 54.000 0.152 0.000 0.833 465 D CB -0.363 40.526 40.800 0.148 0.000 0.954 465 D HN 0.187 nan 8.370 nan 0.000 0.455 466 A N 0.405 123.296 122.820 0.119 0.000 1.897 466 A HA -0.002 4.327 4.320 0.015 0.000 0.215 466 A C 2.276 179.826 177.584 -0.057 0.000 1.181 466 A CA 0.741 52.844 52.037 0.110 0.000 0.620 466 A CB -0.526 18.563 19.000 0.147 0.000 0.821 466 A HN 0.199 nan 8.150 nan 0.000 0.443 467 L N -3.774 117.327 121.223 -0.204 0.000 2.529 467 L HA 0.061 4.410 4.340 0.015 0.000 0.223 467 L C 1.799 178.273 176.870 -0.660 0.000 1.113 467 L CA 0.275 54.787 54.840 -0.547 0.000 0.861 467 L CB -0.083 41.559 42.059 -0.695 0.000 1.012 467 L HN 0.616 nan 8.230 nan 0.000 0.461 468 W N -1.199 120.052 121.300 -0.081 0.000 2.661 468 W HA 0.190 4.859 4.660 0.015 0.000 0.288 468 W C 2.420 178.938 176.519 -0.001 0.000 1.014 468 W CA -0.481 56.819 57.345 -0.075 0.000 1.396 468 W CB 0.688 30.119 29.460 -0.048 0.000 0.963 468 W HN -0.202 nan 8.180 nan 0.000 0.584 469 R N -0.234 120.402 120.500 0.226 0.000 2.125 469 R HA 0.135 4.484 4.340 0.015 0.000 0.195 469 R C 2.185 178.569 176.300 0.140 0.000 1.138 469 R CA 0.057 56.257 56.100 0.168 0.000 1.123 469 R CB -0.104 30.280 30.300 0.141 0.000 1.049 469 R HN -0.189 nan 8.270 nan 0.000 0.503 470 R N 0.744 121.335 120.500 0.150 0.000 2.115 470 R HA 0.009 4.358 4.340 0.015 0.000 0.230 470 R C 1.267 177.656 176.300 0.150 0.000 1.111 470 R CA 1.376 57.579 56.100 0.172 0.000 0.976 470 R CB -0.441 30.007 30.300 0.245 0.000 0.870 470 R HN 0.370 nan 8.270 nan 0.000 0.445 471 T N -2.777 111.852 114.554 0.126 0.000 2.804 471 T HA 0.451 4.810 4.350 0.015 0.000 0.290 471 T C 0.181 174.890 174.700 0.016 0.000 1.099 471 T CA -0.903 61.266 62.100 0.114 0.000 1.011 471 T CB 2.347 71.310 68.868 0.158 0.000 1.291 471 T HN -0.245 nan 8.240 nan 0.000 0.523 472 K N 0.283 120.674 120.400 -0.016 0.000 2.537 472 K HA 0.203 4.532 4.320 0.015 0.000 0.206 472 K C 1.561 177.923 176.600 -0.397 0.000 1.041 472 K CA -0.218 55.939 56.287 -0.218 0.000 1.090 472 K CB 0.569 33.006 32.500 -0.106 0.000 0.833 472 K HN 0.466 nan 8.250 nan 0.000 0.493 473 Q N -0.014 119.593 119.800 -0.322 0.000 2.268 473 Q HA -0.122 4.227 4.340 0.015 0.000 0.210 473 Q C 1.811 177.453 176.000 -0.596 0.000 0.988 473 Q CA 1.568 57.184 55.803 -0.311 0.000 0.883 473 Q CB -0.533 27.853 28.738 -0.587 0.000 0.911 473 Q HN 0.461 nan 8.270 nan 0.000 0.430 474 G N 0.219 108.305 108.800 -1.191 0.000 2.516 474 G HA2 -0.241 3.728 3.960 0.015 0.000 0.221 474 G HA3 -0.241 3.728 3.960 0.015 0.000 0.221 474 G C 1.296 175.478 174.900 -1.197 0.000 1.107 474 G CA 0.582 44.714 45.100 -1.614 0.000 0.747 474 G HN 0.216 nan 8.290 nan 0.000 0.567 475 M N -0.819 118.109 119.600 -1.121 0.000 2.374 475 M HA 0.107 4.596 4.480 0.015 0.000 0.264 475 M C 1.825 177.645 176.300 -0.799 0.000 1.067 475 M CA 0.501 55.214 55.300 -0.979 0.000 1.103 475 M CB -0.602 31.123 32.600 -1.457 0.000 1.402 475 M HN 0.527 nan 8.290 nan 0.000 0.444 476 W N -1.011 120.018 121.300 -0.451 0.000 2.901 476 W HA 0.224 4.893 4.660 0.015 0.000 0.281 476 W C -0.105 176.249 176.519 -0.275 0.000 1.167 476 W CA -0.494 56.612 57.345 -0.399 0.000 1.506 476 W CB 0.243 29.251 29.460 -0.754 0.000 0.985 476 W HN -0.025 nan 8.180 nan 0.000 0.590 477 L N 2.750 123.918 121.223 -0.092 0.000 2.331 477 L HA 0.058 4.407 4.340 0.015 0.000 0.278 477 L C 0.681 177.526 176.870 -0.042 0.000 1.106 477 L CA 0.011 54.813 54.840 -0.065 0.000 0.824 477 L CB 0.015 41.992 42.059 -0.136 0.000 1.142 477 L HN -0.013 nan 8.230 nan 0.000 0.443 478 N N 2.572 121.273 118.700 0.002 0.000 2.294 478 N HA 0.227 4.976 4.740 0.015 0.000 0.248 478 N C 0.862 176.387 175.510 0.025 0.000 1.300 478 N CA 0.226 53.286 53.050 0.017 0.000 0.925 478 N CB 0.234 38.738 38.487 0.029 0.000 1.188 478 N HN 0.558 nan 8.380 nan 0.000 0.512 479 A N -0.556 122.287 122.820 0.039 0.000 1.933 479 A HA -0.176 4.153 4.320 0.015 0.000 0.218 479 A C 1.472 179.087 177.584 0.052 0.000 1.175 479 A CA 1.705 53.772 52.037 0.049 0.000 0.628 479 A CB -0.814 18.218 19.000 0.053 0.000 0.814 479 A HN 0.749 nan 8.150 nan 0.000 0.444 480 D N -0.486 119.945 120.400 0.052 0.000 2.144 480 D HA -0.114 4.535 4.640 0.015 0.000 0.200 480 D C 2.163 178.507 176.300 0.074 0.000 0.978 480 D CA 1.306 55.342 54.000 0.061 0.000 0.833 480 D CB -0.391 40.443 40.800 0.057 0.000 0.961 480 D HN 0.626 nan 8.370 nan 0.000 0.470 481 Q N 0.145 119.985 119.800 0.067 0.000 2.119 481 Q HA -0.092 4.257 4.340 0.015 0.000 0.201 481 Q C 2.167 178.205 176.000 0.064 0.000 0.972 481 Q CA 0.870 56.725 55.803 0.086 0.000 0.847 481 Q CB 0.008 28.788 28.738 0.071 0.000 0.903 481 Q HN 0.409 nan 8.270 nan 0.000 0.433 482 Q N -0.328 119.488 119.800 0.027 0.000 2.123 482 Q HA -0.116 4.233 4.340 0.015 0.000 0.199 482 Q C 2.220 178.243 176.000 0.038 0.000 0.966 482 Q CA 1.281 57.084 55.803 0.001 0.000 0.845 482 Q CB -0.118 28.625 28.738 0.008 0.000 0.907 482 Q HN 0.212 nan 8.270 nan 0.000 0.439 483 S N 0.796 116.534 115.700 0.063 0.000 2.368 483 S HA -0.199 4.280 4.470 0.015 0.000 0.225 483 S C 1.972 176.635 174.600 0.106 0.000 1.030 483 S CA 1.316 59.564 58.200 0.080 0.000 0.999 483 S CB -0.037 63.209 63.200 0.076 0.000 0.844 483 S HN 0.190 nan 8.310 nan 0.000 0.459 484 R N 1.008 121.587 120.500 0.132 0.000 2.091 484 R HA 0.001 4.350 4.340 0.015 0.000 0.238 484 R C 2.026 178.444 176.300 0.197 0.000 1.136 484 R CA 1.948 58.171 56.100 0.205 0.000 0.959 484 R CB -1.238 29.222 30.300 0.267 0.000 0.856 484 R HN 0.359 nan 8.270 nan 0.000 0.437 485 V N 0.246 120.181 119.914 0.034 0.000 2.287 485 V HA -0.278 3.851 4.120 0.015 0.000 0.248 485 V C 2.177 178.297 176.094 0.042 0.000 1.053 485 V CA 2.311 64.506 62.300 -0.175 0.000 1.027 485 V CB -0.653 31.029 31.823 -0.235 0.000 0.646 485 V HN 0.414 nan 8.190 nan 0.000 0.447 486 S N -0.852 114.896 115.700 0.079 0.000 2.382 486 S HA -0.310 4.169 4.470 0.015 0.000 0.228 486 S C 1.961 176.650 174.600 0.150 0.000 1.027 486 S CA 1.893 60.162 58.200 0.115 0.000 0.991 486 S CB -0.348 62.909 63.200 0.095 0.000 0.823 486 S HN 0.712 nan 8.310 nan 0.000 0.469 487 Q N -0.414 119.486 119.800 0.166 0.000 2.046 487 Q HA -0.171 4.178 4.340 0.015 0.000 0.200 487 Q C 1.964 178.097 176.000 0.222 0.000 0.975 487 Q CA 1.432 57.336 55.803 0.168 0.000 0.836 487 Q CB -0.258 28.580 28.738 0.167 0.000 0.896 487 Q HN 0.694 nan 8.270 nan 0.000 0.428 488 W N 0.967 122.334 121.300 0.113 0.000 2.335 488 W HA -0.214 4.455 4.660 0.015 0.000 0.311 488 W C 1.677 178.271 176.519 0.125 0.000 1.213 488 W CA 1.622 59.053 57.345 0.143 0.000 1.274 488 W CB -0.213 29.354 29.460 0.179 0.000 1.148 488 W HN 0.168 nan 8.180 nan 0.000 0.498 489 L N -0.637 120.839 121.223 0.422 0.000 2.093 489 L HA -0.238 4.111 4.340 0.015 0.000 0.208 489 L C 2.276 179.207 176.870 0.102 0.000 1.085 489 L CA 0.986 56.013 54.840 0.312 0.000 0.755 489 L CB -1.177 41.059 42.059 0.295 0.000 0.904 489 L HN -0.125 nan 8.230 nan 0.000 0.435 490 V N 0.037 119.999 119.914 0.079 0.000 2.233 490 V HA -0.317 3.812 4.120 0.015 0.000 0.247 490 V C 2.386 178.457 176.094 -0.038 0.000 1.050 490 V CA 2.034 64.351 62.300 0.028 0.000 1.010 490 V CB -0.456 31.393 31.823 0.043 0.000 0.637 490 V HN 0.462 nan 8.190 nan 0.000 0.444 491 E N -0.999 119.156 120.200 -0.074 0.000 2.033 491 E HA -0.306 4.053 4.350 0.015 0.000 0.199 491 E C 2.165 178.634 176.600 -0.219 0.000 1.011 491 E CA 2.188 58.501 56.400 -0.146 0.000 0.815 491 E CB -0.362 29.232 29.700 -0.177 0.000 0.755 491 E HN 0.692 nan 8.360 nan 0.000 0.451 492 Y N 1.334 121.296 120.300 -0.564 0.000 2.145 492 Y HA -0.198 4.361 4.550 0.015 0.000 0.286 492 Y C 2.551 178.280 175.900 -0.285 0.000 1.145 492 Y CA 1.911 59.653 58.100 -0.596 0.000 1.148 492 Y CB -0.375 37.432 38.460 -1.088 0.000 0.981 492 Y HN 0.086 nan 8.280 nan 0.000 0.507 493 T N -1.853 112.589 114.554 -0.186 0.000 3.107 493 T HA 0.221 4.580 4.350 0.015 0.000 0.249 493 T C 0.401 175.013 174.700 -0.146 0.000 1.096 493 T CA -0.026 61.964 62.100 -0.184 0.000 1.012 493 T CB 0.024 68.876 68.868 -0.027 0.000 0.977 493 T HN 0.333 nan 8.240 nan 0.000 0.527 494 Q N 0.000 119.718 119.800 -0.136 0.000 2.315 494 Q HA 0.000 4.349 4.340 0.015 0.000 0.214 494 Q CA 0.000 55.751 55.803 -0.086 0.000 1.022 494 Q CB 0.000 28.711 28.738 -0.045 0.000 1.108 494 Q HN 0.000 nan 8.270 nan 0.000 0.481