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 2add_1_A DATA FIRST_RESID 2 DATA SEQUENCE QIEQPYRTGY HFQPPSNWMN DPNGPMLYQG VYHFFYQYNP YAATFGDVII DATA SEQUENCE WGHAVSYDLV NWIHLDPAIY PTQEADSKSC WSGSATILPG NIPAMLYTGS DATA SEQUENCE DSKSRQVQDL AWPKNLSDPF LREWVKHPKN PLITPPEGVK DDCFRDPSTA DATA SEQUENCE WLGPDGVWRI VVGGDRDNNG MAFLYQSTDF VNWKRYDQPL SSADATGTWE DATA SEQUENCE CPDFYPVPLN STNGLDTSVY GGSVRHVMKA GFEGHDWYTI GTYSPDRENF DATA SEQUENCE LPQNGLSLTG STLDLRYDYG QFYASKSFFD DAKNRRVLWA WVPETDSQAD DATA SEQUENCE DIEKGWAGLQ SFPRALWIDR NGKQLIQWPV EEIEELRQNQ VNLQNKNLKP DATA SEQUENCE GSVLEIHGIA ASQADVTISF KLEGLKEAEV LDTTLVDPQA LcNERGASSR DATA SEQUENCE GALGPFGLLA MASKDLKEQS AIFFRVFQNQ LGRYSVLMcS DLSRSTVRSN DATA SEQUENCE IDTTSYGAFV DIDPRSEEIS LRNLIDHSII ESFGAGGKTC ITSRIYPKFV DATA SEQUENCE NNEEAHLFVF NNGTQNVKIS EMSAWSMKNA KFVVDQS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 176.004 176.000 0.006 0.000 1.003 2 Q CA 0.000 55.810 55.803 0.012 0.000 1.022 2 Q CB 0.000 28.745 28.738 0.012 0.000 1.108 3 I N 2.699 123.265 120.570 -0.008 0.000 2.378 3 I HA 0.405 4.574 4.170 -0.001 0.000 0.291 3 I C -0.100 176.000 176.117 -0.027 0.000 0.992 3 I CA -1.098 60.194 61.300 -0.014 0.000 1.154 3 I CB 1.872 39.860 38.000 -0.020 0.000 1.315 3 I HN 0.642 nan 8.210 nan 0.000 0.448 4 E N 6.429 126.621 120.200 -0.013 0.000 2.324 4 E HA 0.039 4.389 4.350 -0.001 0.000 0.271 4 E C -0.335 176.254 176.600 -0.017 0.000 1.028 4 E CA 0.180 56.575 56.400 -0.008 0.000 0.890 4 E CB 0.407 30.108 29.700 0.002 0.000 1.004 4 E HN 0.331 nan 8.360 nan 0.000 0.431 5 Q N 3.632 123.436 119.800 0.007 0.000 2.431 5 Q HA -0.176 4.163 4.340 -0.001 0.000 0.344 5 Q C -1.650 174.330 176.000 -0.032 0.000 1.384 5 Q CA 0.902 56.734 55.803 0.049 0.000 0.984 5 Q CB -0.922 27.860 28.738 0.073 0.000 1.204 5 Q HN 0.644 nan 8.270 nan 0.000 0.392 6 P HA -0.159 nan 4.420 nan 0.000 0.225 6 P C 0.637 177.815 177.300 -0.203 0.000 1.148 6 P CA 1.331 64.284 63.100 -0.245 0.000 0.779 6 P CB 0.019 31.450 31.700 -0.448 0.000 0.780 7 Y N -0.361 120.045 120.300 0.176 0.000 2.462 7 Y HA 0.218 4.768 4.550 -0.001 0.000 0.261 7 Y C 1.603 177.664 175.900 0.268 0.000 1.146 7 Y CA -0.539 57.706 58.100 0.241 0.000 1.283 7 Y CB -0.454 38.199 38.460 0.322 0.000 1.090 7 Y HN -0.187 nan 8.280 nan 0.000 0.526 8 R N 0.896 121.511 120.500 0.192 0.000 2.594 8 R HA 0.190 4.530 4.340 -0.001 0.000 0.272 8 R C 0.719 176.783 176.300 -0.394 0.000 1.074 8 R CA 0.240 56.191 56.100 -0.249 0.000 1.105 8 R CB 0.433 30.485 30.300 -0.414 0.000 1.008 8 R HN 0.153 nan 8.270 nan 0.000 0.472 9 T N -1.487 112.831 114.554 -0.393 0.000 2.874 9 T HA 0.269 4.618 4.350 -0.001 0.000 0.281 9 T C 1.176 175.710 174.700 -0.277 0.000 0.994 9 T CA -0.475 61.441 62.100 -0.308 0.000 1.015 9 T CB 1.720 70.459 68.868 -0.216 0.000 1.028 9 T HN 0.618 nan 8.240 nan 0.000 0.523 10 G N -0.459 108.277 108.800 -0.107 0.000 2.719 10 G HA2 0.156 4.116 3.960 -0.001 0.000 0.211 10 G HA3 0.156 4.116 3.960 -0.001 0.000 0.211 10 G C 0.528 175.613 174.900 0.308 0.000 1.140 10 G CA 0.036 45.191 45.100 0.091 0.000 0.790 10 G HN 0.967 nan 8.290 nan 0.000 0.529 11 Y N -1.572 118.886 120.300 0.263 0.000 2.809 11 Y HA 0.580 5.130 4.550 -0.001 0.000 0.251 11 Y C -0.193 175.892 175.900 0.308 0.000 1.136 11 Y CA -1.508 56.757 58.100 0.274 0.000 1.185 11 Y CB -0.626 37.892 38.460 0.096 0.000 1.260 11 Y HN 0.018 nan 8.280 nan 0.000 0.576 12 H N 0.811 119.964 119.070 0.139 0.000 2.499 12 H HA 0.389 4.945 4.556 -0.001 0.000 0.340 12 H C -1.236 174.205 175.328 0.189 0.000 1.148 12 H CA -1.162 55.001 56.048 0.191 0.000 1.215 12 H CB 1.319 31.071 29.762 -0.018 0.000 1.529 12 H HN 0.249 nan 8.280 nan 0.000 0.510 13 F N 3.220 123.284 119.950 0.189 0.000 2.484 13 F HA 0.223 4.750 4.527 -0.001 0.000 0.360 13 F C -0.165 175.486 175.800 -0.250 0.000 1.101 13 F CA 0.140 58.102 58.000 -0.062 0.000 1.251 13 F CB 0.208 38.956 39.000 -0.420 0.000 1.132 13 F HN 0.567 nan 8.300 nan 0.000 0.570 14 Q N 6.710 125.743 119.800 -1.278 0.000 2.545 14 Q HA 0.439 4.779 4.340 -0.001 0.000 0.273 14 Q C -3.241 172.069 176.000 -1.151 0.000 0.975 14 Q CA -2.079 53.158 55.803 -0.944 0.000 0.876 14 Q CB 2.079 30.419 28.738 -0.663 0.000 1.472 14 Q HN 0.299 nan 8.270 nan 0.000 0.389 15 P HA 0.186 nan 4.420 nan 0.000 0.274 15 P C -2.056 174.855 177.300 -0.647 0.000 1.256 15 P CA -1.088 61.580 63.100 -0.720 0.000 0.795 15 P CB 0.398 31.890 31.700 -0.347 0.000 1.038 16 P HA -0.129 nan 4.420 nan 0.000 0.216 16 P C 0.550 177.697 177.300 -0.256 0.000 1.150 16 P CA 1.774 64.627 63.100 -0.412 0.000 0.843 16 P CB 0.023 31.543 31.700 -0.300 0.000 0.787 17 S N -4.798 110.838 115.700 -0.107 0.000 2.683 17 S HA 0.465 4.934 4.470 -0.001 0.000 0.269 17 S C -1.010 173.739 174.600 0.249 0.000 1.165 17 S CA -0.904 57.343 58.200 0.078 0.000 0.840 17 S CB 0.781 64.044 63.200 0.105 0.000 1.169 17 S HN 0.011 nan 8.310 nan 0.000 0.490 18 N N -0.748 118.130 118.700 0.296 0.000 6.891 18 N HA -0.159 4.580 4.740 -0.001 0.000 0.420 18 N C -1.145 174.581 175.510 0.359 0.000 0.939 18 N CA 0.761 53.973 53.050 0.270 0.000 1.300 18 N CB -1.026 37.526 38.487 0.109 0.000 0.824 18 N HN 0.891 nan 8.380 nan 0.000 0.284 19 W N 2.525 123.868 121.300 0.072 0.000 2.315 19 W HA 0.618 5.278 4.660 -0.001 0.000 0.316 19 W C -0.423 176.215 176.519 0.198 0.000 1.211 19 W CA -0.331 57.089 57.345 0.124 0.000 1.201 19 W CB 0.416 29.907 29.460 0.052 0.000 1.184 19 W HN 0.561 nan 8.180 nan 0.000 0.544 20 M N 8.253 127.659 119.600 -0.322 0.000 2.324 20 M HA 0.198 4.677 4.480 -0.001 0.000 0.288 20 M C -0.736 175.148 176.300 -0.693 0.000 1.097 20 M CA -0.411 54.796 55.300 -0.156 0.000 0.928 20 M CB 1.472 34.096 32.600 0.040 0.000 1.648 20 M HN 0.636 nan 8.290 nan 0.000 0.460 21 N N 2.007 120.341 118.700 -0.610 0.000 2.129 21 N HA 0.263 5.003 4.740 -0.001 0.000 0.125 21 N C -1.081 173.959 175.510 -0.783 0.000 1.571 21 N CA -0.317 51.861 53.050 -1.453 0.000 1.136 21 N CB -0.401 37.194 38.487 -1.487 0.000 1.205 21 N HN 0.547 nan 8.380 nan 0.000 0.298 22 D N 3.501 123.591 120.400 -0.516 0.000 2.583 22 D HA 0.130 4.769 4.640 -0.001 0.000 0.232 22 D C -2.033 174.156 176.300 -0.185 0.000 1.128 22 D CA -0.167 53.720 54.000 -0.189 0.000 0.859 22 D CB 0.041 40.761 40.800 -0.135 0.000 1.169 22 D HN 0.286 nan 8.370 nan 0.000 0.481 23 P HA 0.099 nan 4.420 nan 0.000 0.276 23 P C -0.853 176.190 177.300 -0.429 0.000 1.230 23 P CA -0.278 62.671 63.100 -0.252 0.000 0.776 23 P CB 0.861 32.612 31.700 0.086 0.000 0.888 24 N N 0.360 118.600 118.700 -0.766 0.000 2.265 24 N HA 0.431 5.171 4.740 -0.001 0.000 0.300 24 N C 0.337 175.539 175.510 -0.513 0.000 1.148 24 N CA -0.824 51.721 53.050 -0.842 0.000 0.772 24 N CB 1.234 38.581 38.487 -1.899 0.000 1.434 24 N HN 0.521 nan 8.380 nan 0.000 0.481 25 G N 1.715 110.379 108.800 -0.226 0.000 2.449 25 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.304 25 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.304 25 G C -2.275 172.764 174.900 0.232 0.000 0.962 25 G CA -0.304 44.854 45.100 0.096 0.000 0.943 25 G HN 0.445 nan 8.290 nan 0.000 0.514 26 P HA 0.371 nan 4.420 nan 0.000 0.269 26 P C 0.288 177.474 177.300 -0.191 0.000 1.209 26 P CA 0.349 63.432 63.100 -0.028 0.000 0.776 26 P CB 1.008 32.786 31.700 0.129 0.000 0.876 27 M N 0.807 120.147 119.600 -0.433 0.000 2.956 27 M HA 0.497 4.976 4.480 -0.001 0.000 0.272 27 M C -2.265 174.018 176.300 -0.028 0.000 1.132 27 M CA -1.187 53.977 55.300 -0.227 0.000 0.805 27 M CB 1.320 34.023 32.600 0.172 0.000 1.639 27 M HN 0.068 nan 8.290 nan 0.000 0.520 28 L N 2.159 123.511 121.223 0.215 0.000 2.325 28 L HA 0.727 5.066 4.340 -0.001 0.000 0.281 28 L C -2.210 174.819 176.870 0.265 0.000 1.004 28 L CA -0.130 54.803 54.840 0.155 0.000 0.823 28 L CB 1.612 43.721 42.059 0.083 0.000 1.236 28 L HN 0.699 nan 8.230 nan 0.000 0.415 29 Y N 4.633 125.018 120.300 0.141 0.000 2.354 29 Y HA 0.393 4.942 4.550 -0.001 0.000 0.330 29 Y C -0.374 175.604 175.900 0.130 0.000 1.011 29 Y CA -0.598 57.595 58.100 0.154 0.000 1.099 29 Y CB 1.359 39.932 38.460 0.188 0.000 1.179 29 Y HN 0.729 nan 8.280 nan 0.000 0.442 30 Q N 4.428 123.965 119.800 -0.438 0.000 2.439 30 Q HA -0.227 4.112 4.340 -0.001 0.000 0.325 30 Q C 1.117 177.059 176.000 -0.096 0.000 1.372 30 Q CA 1.552 57.159 55.803 -0.327 0.000 0.909 30 Q CB -1.690 26.795 28.738 -0.423 0.000 1.167 30 Q HN 1.485 nan 8.270 nan 0.000 0.418 31 G N -2.348 106.397 108.800 -0.092 0.000 2.184 31 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.264 31 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.264 31 G C 0.200 175.069 174.900 -0.050 0.000 0.975 31 G CA 0.275 45.339 45.100 -0.061 0.000 0.642 31 G HN 0.444 nan 8.290 nan 0.000 0.536 32 V N 0.710 120.592 119.914 -0.053 0.000 2.459 32 V HA 0.587 4.707 4.120 -0.001 0.000 0.295 32 V C -0.172 175.803 176.094 -0.198 0.000 1.029 32 V CA -1.233 60.984 62.300 -0.138 0.000 0.874 32 V CB 1.415 33.207 31.823 -0.051 0.000 0.985 32 V HN 0.209 nan 8.190 nan 0.000 0.438 33 Y N 3.818 124.023 120.300 -0.158 0.000 2.336 33 Y HA 0.403 4.953 4.550 -0.001 0.000 0.335 33 Y C 0.820 176.648 175.900 -0.119 0.000 1.046 33 Y CA -0.072 57.997 58.100 -0.051 0.000 1.198 33 Y CB 0.422 38.848 38.460 -0.056 0.000 1.182 33 Y HN 0.562 nan 8.280 nan 0.000 0.502 34 H N 3.807 122.998 119.070 0.202 0.000 2.457 34 H HA 0.315 4.870 4.556 -0.001 0.000 0.335 34 H C -1.368 173.941 175.328 -0.032 0.000 1.115 34 H CA -0.656 55.448 56.048 0.094 0.000 1.219 34 H CB 1.960 31.807 29.762 0.140 0.000 1.471 34 H HN 0.564 nan 8.280 nan 0.000 0.491 35 F N 3.314 123.034 119.950 -0.383 0.000 2.547 35 F HA 0.414 4.940 4.527 -0.001 0.000 0.316 35 F C -1.868 173.433 175.800 -0.832 0.000 1.121 35 F CA -0.925 56.642 58.000 -0.721 0.000 0.911 35 F CB 0.905 39.165 39.000 -1.232 0.000 1.179 35 F HN 0.302 nan 8.300 nan 0.000 0.443 36 F N 4.694 123.931 119.950 -1.189 0.000 2.611 36 F HA 0.726 5.252 4.527 -0.001 0.000 0.324 36 F C -1.078 173.912 175.800 -1.349 0.000 1.061 36 F CA -1.051 56.364 58.000 -0.976 0.000 0.954 36 F CB 1.943 40.507 39.000 -0.727 0.000 1.301 36 F HN 0.443 nan 8.300 nan 0.000 0.482 37 Y N -1.693 118.123 120.300 -0.807 0.000 2.573 37 Y HA 0.395 4.945 4.550 -0.001 0.000 0.328 37 Y C -1.394 174.265 175.900 -0.401 0.000 1.170 37 Y CA -1.702 55.979 58.100 -0.699 0.000 1.078 37 Y CB 0.519 38.679 38.460 -0.501 0.000 1.341 37 Y HN 0.423 nan 8.280 nan 0.000 0.459 38 Q N 2.639 122.314 119.800 -0.208 0.000 2.255 38 Q HA 0.107 4.446 4.340 -0.001 0.000 0.280 38 Q C -1.493 174.664 176.000 0.262 0.000 1.068 38 Q CA 0.636 56.433 55.803 -0.010 0.000 0.911 38 Q CB 0.860 29.637 28.738 0.064 0.000 1.157 38 Q HN 0.895 nan 8.270 nan 0.000 0.380 39 Y N 2.637 122.984 120.300 0.078 0.000 2.492 39 Y HA 0.285 4.834 4.550 -0.001 0.000 0.346 39 Y C -0.789 175.174 175.900 0.105 0.000 0.997 39 Y CA -1.039 57.159 58.100 0.164 0.000 1.025 39 Y CB 1.699 40.180 38.460 0.036 0.000 1.263 39 Y HN 0.513 nan 8.280 nan 0.000 0.454 40 N N 7.380 125.822 118.700 -0.430 0.000 2.501 40 N HA 0.309 5.048 4.740 -0.001 0.000 0.245 40 N C -2.367 172.541 175.510 -1.004 0.000 0.974 40 N CA -2.542 50.194 53.050 -0.524 0.000 0.941 40 N CB 1.837 40.139 38.487 -0.308 0.000 1.122 40 N HN 0.459 nan 8.380 nan 0.000 0.507 41 P HA 0.008 nan 4.420 nan 0.000 0.245 41 P C -0.031 176.821 177.300 -0.746 0.000 1.212 41 P CA 0.736 63.301 63.100 -0.892 0.000 0.774 41 P CB -0.037 31.245 31.700 -0.696 0.000 0.999 42 Y N -0.761 119.422 120.300 -0.196 0.000 2.453 42 Y HA 0.584 5.133 4.550 -0.001 0.000 0.247 42 Y C 1.248 177.093 175.900 -0.090 0.000 1.124 42 Y CA -0.456 57.575 58.100 -0.114 0.000 1.243 42 Y CB 0.809 39.203 38.460 -0.110 0.000 1.213 42 Y HN -0.042 nan 8.280 nan 0.000 0.523 43 A N -0.067 122.749 122.820 -0.007 0.000 2.564 43 A HA 0.750 5.069 4.320 -0.001 0.000 0.291 43 A C -0.828 176.796 177.584 0.066 0.000 1.102 43 A CA -0.252 51.799 52.037 0.023 0.000 0.660 43 A CB 0.024 19.026 19.000 0.003 0.000 1.283 43 A HN 0.050 nan 8.150 nan 0.000 0.430 44 A N 0.241 123.132 122.820 0.118 0.000 2.640 44 A HA 0.573 4.892 4.320 -0.001 0.000 0.282 44 A C 0.644 178.428 177.584 0.333 0.000 1.357 44 A CA 1.038 53.217 52.037 0.237 0.000 0.946 44 A CB -1.103 17.990 19.000 0.156 0.000 1.065 44 A HN 2.049 nan 8.150 nan 0.000 0.541 45 T N -4.829 109.818 114.554 0.156 0.000 2.812 45 T HA 0.615 4.964 4.350 -0.001 0.000 0.294 45 T C -0.423 173.795 174.700 -0.803 0.000 1.159 45 T CA -0.740 61.285 62.100 -0.124 0.000 1.008 45 T CB 0.678 69.479 68.868 -0.111 0.000 1.289 45 T HN 0.146 nan 8.240 nan 0.000 0.514 46 F N 0.603 119.678 119.950 -1.458 0.000 2.485 46 F HA 0.621 5.147 4.527 -0.001 0.000 0.327 46 F C 0.805 176.273 175.800 -0.552 0.000 1.203 46 F CA 1.015 58.242 58.000 -1.289 0.000 1.295 46 F CB 0.431 38.872 39.000 -0.931 0.000 1.191 46 F HN 1.062 nan 8.300 nan 0.000 0.588 47 G N 2.266 110.459 108.800 -1.010 0.000 2.649 47 G HA2 0.194 4.154 3.960 -0.001 0.000 0.290 47 G HA3 0.194 4.154 3.960 -0.001 0.000 0.290 47 G C -0.642 174.001 174.900 -0.428 0.000 1.426 47 G CA -0.581 44.219 45.100 -0.500 0.000 0.794 47 G HN 0.421 nan 8.290 nan 0.000 0.483 48 D N -1.016 119.285 120.400 -0.165 0.000 2.218 48 D HA -0.039 4.600 4.640 -0.001 0.000 0.204 48 D C 1.075 177.338 176.300 -0.061 0.000 0.976 48 D CA 1.198 55.163 54.000 -0.059 0.000 0.853 48 D CB 0.291 41.072 40.800 -0.031 0.000 0.939 48 D HN 0.090 nan 8.370 nan 0.000 0.481 49 V N 2.534 122.401 119.914 -0.078 0.000 2.304 49 V HA 0.208 4.328 4.120 -0.001 0.000 0.278 49 V C -0.238 175.794 176.094 -0.104 0.000 1.018 49 V CA -0.593 61.685 62.300 -0.036 0.000 0.814 49 V CB 1.909 33.804 31.823 0.119 0.000 1.021 49 V HN -0.080 nan 8.190 nan 0.000 0.440 50 I N 6.597 127.112 120.570 -0.092 0.000 2.404 50 I HA 0.588 4.758 4.170 -0.001 0.000 0.293 50 I C 0.013 176.152 176.117 0.036 0.000 0.992 50 I CA -0.325 60.956 61.300 -0.033 0.000 1.149 50 I CB 1.830 39.907 38.000 0.128 0.000 1.315 50 I HN 0.605 nan 8.210 nan 0.000 0.446 51 I N 0.545 121.162 120.570 0.080 0.000 3.239 51 I HA 0.567 4.736 4.170 -0.001 0.000 0.314 51 I C -1.477 174.757 176.117 0.194 0.000 1.126 51 I CA -0.917 60.463 61.300 0.132 0.000 0.973 51 I CB 2.345 40.411 38.000 0.109 0.000 1.252 51 I HN 0.276 nan 8.210 nan 0.000 0.463 52 W N 2.486 123.656 121.300 -0.217 0.000 2.387 52 W HA 0.622 5.281 4.660 -0.001 0.000 0.310 52 W C 0.744 177.032 176.519 -0.386 0.000 1.181 52 W CA -0.295 56.845 57.345 -0.343 0.000 1.333 52 W CB 0.801 29.969 29.460 -0.487 0.000 1.286 52 W HN 0.660 nan 8.180 nan 0.000 0.455 53 G N 2.006 110.408 108.800 -0.663 0.000 2.606 53 G HA2 0.312 4.272 3.960 -0.001 0.000 0.252 53 G HA3 0.312 4.272 3.960 -0.001 0.000 0.252 53 G C -1.426 173.141 174.900 -0.555 0.000 1.206 53 G CA -0.093 44.414 45.100 -0.988 0.000 0.861 53 G HN 0.484 nan 8.290 nan 0.000 0.561 54 H N -0.894 118.017 119.070 -0.264 0.000 2.856 54 H HA 0.681 5.236 4.556 -0.001 0.000 0.355 54 H C -0.730 174.614 175.328 0.026 0.000 1.079 54 H CA -0.057 55.910 56.048 -0.135 0.000 1.240 54 H CB 1.558 31.361 29.762 0.068 0.000 1.701 54 H HN 0.790 nan 8.280 nan 0.000 0.527 55 A N 3.489 126.240 122.820 -0.114 0.000 2.572 55 A HA 0.723 5.043 4.320 -0.001 0.000 0.295 55 A C -1.203 176.307 177.584 -0.125 0.000 1.072 55 A CA -0.081 51.916 52.037 -0.067 0.000 0.691 55 A CB 1.137 20.294 19.000 0.263 0.000 1.291 55 A HN 0.911 nan 8.150 nan 0.000 0.404 56 V N -1.450 118.366 119.914 -0.163 0.000 3.001 56 V HA 1.002 5.121 4.120 -0.001 0.000 0.314 56 V C -0.246 175.570 176.094 -0.464 0.000 1.099 56 V CA -0.248 61.826 62.300 -0.376 0.000 0.989 56 V CB 1.425 32.690 31.823 -0.930 0.000 1.040 56 V HN 1.783 nan 8.190 nan 0.000 0.434 57 S N 0.557 115.806 115.700 -0.752 0.000 2.565 57 S HA 0.672 5.141 4.470 -0.001 0.000 0.269 57 S C -0.940 173.276 174.600 -0.640 0.000 1.153 57 S CA -0.403 57.208 58.200 -0.982 0.000 0.835 57 S CB 1.711 63.770 63.200 -1.902 0.000 1.122 57 S HN 0.731 nan 8.310 nan 0.000 0.462 58 Y N 1.290 121.453 120.300 -0.229 0.000 2.458 58 Y HA 0.238 4.787 4.550 -0.001 0.000 0.254 58 Y C 1.198 177.127 175.900 0.049 0.000 1.120 58 Y CA 0.284 58.364 58.100 -0.034 0.000 1.282 58 Y CB 0.414 38.837 38.460 -0.063 0.000 1.109 58 Y HN 0.758 nan 8.280 nan 0.000 0.526 59 D N -2.510 117.856 120.400 -0.058 0.000 2.516 59 D HA 0.113 4.753 4.640 -0.001 0.000 0.241 59 D C 0.791 176.839 176.300 -0.420 0.000 1.246 59 D CA 0.001 53.908 54.000 -0.155 0.000 0.808 59 D CB -0.377 40.351 40.800 -0.120 0.000 1.147 59 D HN 0.170 nan 8.370 nan 0.000 0.527 60 L N -0.586 120.231 121.223 -0.677 0.000 5.081 60 L HA -0.279 4.060 4.340 -0.001 0.000 0.423 60 L C 0.707 177.385 176.870 -0.321 0.000 1.019 60 L CA 0.665 55.141 54.840 -0.606 0.000 1.223 60 L CB -1.460 40.231 42.059 -0.613 0.000 1.940 60 L HN 0.151 nan 8.230 nan 0.000 0.675 61 V N -2.227 117.469 119.914 -0.363 0.000 2.854 61 V HA 0.190 4.309 4.120 -0.001 0.000 0.236 61 V C 1.032 176.995 176.094 -0.219 0.000 1.157 61 V CA 0.889 63.154 62.300 -0.059 0.000 1.187 61 V CB 0.173 31.990 31.823 -0.009 0.000 0.949 61 V HN 0.304 nan 8.190 nan 0.000 0.488 62 N N 0.068 118.488 118.700 -0.467 0.000 2.438 62 N HA 0.315 5.054 4.740 -0.001 0.000 0.282 62 N C -1.496 173.569 175.510 -0.742 0.000 1.037 62 N CA -0.121 52.628 53.050 -0.501 0.000 0.942 62 N CB 1.487 39.792 38.487 -0.305 0.000 1.136 62 N HN 0.295 nan 8.380 nan 0.000 0.481 63 W N 1.260 122.236 121.300 -0.541 0.000 2.820 63 W HA 0.611 5.271 4.660 -0.001 0.000 0.350 63 W C -0.069 176.231 176.519 -0.365 0.000 1.116 63 W CA -0.597 56.521 57.345 -0.379 0.000 1.146 63 W CB 1.221 30.578 29.460 -0.172 0.000 1.433 63 W HN 0.150 nan 8.180 nan 0.000 0.561 64 I N 2.753 123.275 120.570 -0.081 0.000 2.439 64 I HA 0.161 4.330 4.170 -0.001 0.000 0.285 64 I C -0.455 175.581 176.117 -0.135 0.000 1.021 64 I CA -1.076 60.131 61.300 -0.154 0.000 1.091 64 I CB 0.979 38.820 38.000 -0.264 0.000 1.242 64 I HN 0.264 nan 8.210 nan 0.000 0.439 65 H N 6.938 126.069 119.070 0.101 0.000 2.767 65 H HA 0.453 5.008 4.556 -0.001 0.000 0.316 65 H C -0.195 175.140 175.328 0.011 0.000 1.059 65 H CA 0.143 56.240 56.048 0.082 0.000 1.461 65 H CB 1.278 31.082 29.762 0.071 0.000 1.475 65 H HN 0.405 nan 8.280 nan 0.000 0.531 66 L N 1.618 122.896 121.223 0.092 0.000 2.341 66 L HA 0.312 4.652 4.340 -0.001 0.000 0.267 66 L C 0.590 177.529 176.870 0.115 0.000 1.022 66 L CA -1.108 53.772 54.840 0.067 0.000 0.844 66 L CB 0.890 42.928 42.059 -0.036 0.000 1.436 66 L HN 0.457 nan 8.230 nan 0.000 0.483 67 D N 0.025 120.513 120.400 0.146 0.000 2.339 67 D HA 0.232 4.872 4.640 -0.001 0.000 0.245 67 D C -2.287 174.120 176.300 0.178 0.000 1.115 67 D CA -0.945 53.132 54.000 0.130 0.000 0.917 67 D CB 0.795 41.672 40.800 0.128 0.000 1.192 67 D HN 0.149 nan 8.370 nan 0.000 0.428 68 P HA -0.015 nan 4.420 nan 0.000 0.265 68 P C -0.280 177.180 177.300 0.266 0.000 1.187 68 P CA 0.221 63.412 63.100 0.151 0.000 0.766 68 P CB 0.680 32.454 31.700 0.123 0.000 0.820 69 A N 4.032 126.940 122.820 0.146 0.000 1.924 69 A HA 0.162 4.482 4.320 -0.001 0.000 0.211 69 A C 0.766 178.093 177.584 -0.429 0.000 1.198 69 A CA 0.937 52.933 52.037 -0.069 0.000 0.657 69 A CB -0.160 18.602 19.000 -0.397 0.000 0.852 69 A HN 0.505 nan 8.150 nan 0.000 0.454 70 I N 0.920 121.168 120.570 -0.537 0.000 2.418 70 I HA 0.480 4.649 4.170 -0.001 0.000 0.287 70 I C -1.290 174.493 176.117 -0.556 0.000 1.008 70 I CA -0.873 59.882 61.300 -0.909 0.000 1.104 70 I CB 1.653 38.668 38.000 -1.642 0.000 1.264 70 I HN 0.453 nan 8.210 nan 0.000 0.438 71 Y N 4.189 124.270 120.300 -0.366 0.000 2.597 71 Y HA 0.638 5.188 4.550 -0.001 0.000 0.340 71 Y C -3.038 172.743 175.900 -0.198 0.000 1.097 71 Y CA -3.702 54.258 58.100 -0.232 0.000 1.037 71 Y CB 0.176 38.557 38.460 -0.130 0.000 1.305 71 Y HN 0.264 nan 8.280 nan 0.000 0.463 72 P HA 0.041 nan 4.420 nan 0.000 0.258 72 P C 0.460 177.784 177.300 0.040 0.000 1.172 72 P CA 1.117 64.209 63.100 -0.013 0.000 0.762 72 P CB 0.547 32.241 31.700 -0.010 0.000 0.764 73 T N -0.933 113.598 114.554 -0.038 0.000 3.092 73 T HA 0.166 4.515 4.350 -0.001 0.000 0.273 73 T C 0.353 175.030 174.700 -0.039 0.000 0.898 73 T CA -0.163 61.924 62.100 -0.022 0.000 0.868 73 T CB 0.078 68.905 68.868 -0.069 0.000 1.228 73 T HN 0.278 nan 8.240 nan 0.000 0.555 74 Q N 0.149 119.919 119.800 -0.050 0.000 2.552 74 Q HA 0.473 4.812 4.340 -0.001 0.000 0.289 74 Q C 0.577 176.552 176.000 -0.042 0.000 1.097 74 Q CA -0.907 54.870 55.803 -0.043 0.000 0.812 74 Q CB 1.900 30.610 28.738 -0.047 0.000 1.460 74 Q HN -0.032 nan 8.270 nan 0.000 0.452 75 E N 0.837 121.016 120.200 -0.036 0.000 2.150 75 E HA -0.123 4.227 4.350 -0.001 0.000 0.193 75 E C 1.304 177.877 176.600 -0.046 0.000 0.985 75 E CA 1.300 57.679 56.400 -0.035 0.000 0.814 75 E CB 0.062 29.747 29.700 -0.026 0.000 0.752 75 E HN 0.717 nan 8.360 nan 0.000 0.466 76 A N 1.394 124.184 122.820 -0.050 0.000 2.172 76 A HA -0.138 4.181 4.320 -0.001 0.000 0.216 76 A C 0.850 178.381 177.584 -0.088 0.000 1.154 76 A CA 1.668 53.665 52.037 -0.067 0.000 0.701 76 A CB -0.128 18.827 19.000 -0.075 0.000 0.789 76 A HN 0.374 nan 8.150 nan 0.000 0.465 77 D N -2.685 117.668 120.400 -0.078 0.000 2.704 77 D HA -0.013 4.626 4.640 -0.001 0.000 0.291 77 D C 0.957 177.187 176.300 -0.115 0.000 1.610 77 D CA 0.643 54.586 54.000 -0.095 0.000 0.807 77 D CB -1.092 39.706 40.800 -0.002 0.000 1.233 77 D HN 0.211 nan 8.370 nan 0.000 0.445 78 S N 0.734 116.379 115.700 -0.092 0.000 2.400 78 S HA -0.212 4.258 4.470 -0.001 0.000 0.232 78 S C 1.615 176.158 174.600 -0.094 0.000 1.025 78 S CA 0.797 58.953 58.200 -0.075 0.000 0.993 78 S CB -0.287 62.881 63.200 -0.053 0.000 0.808 78 S HN 0.260 nan 8.310 nan 0.000 0.478 79 K N 0.301 120.615 120.400 -0.143 0.000 2.356 79 K HA 0.351 4.670 4.320 -0.001 0.000 0.195 79 K C -0.145 176.303 176.600 -0.253 0.000 1.037 79 K CA 0.195 56.388 56.287 -0.158 0.000 1.014 79 K CB 0.358 32.777 32.500 -0.134 0.000 0.815 79 K HN 0.258 nan 8.250 nan 0.000 0.507 80 S N -1.217 114.254 115.700 -0.383 0.000 2.712 80 S HA 0.113 4.582 4.470 -0.001 0.000 0.279 80 S C -1.753 172.511 174.600 -0.560 0.000 1.025 80 S CA -0.944 56.947 58.200 -0.515 0.000 0.861 80 S CB 0.965 63.661 63.200 -0.839 0.000 1.091 80 S HN 0.153 nan 8.310 nan 0.000 0.457 81 C N 3.613 122.694 119.300 -0.366 0.000 2.301 81 C HA 0.552 5.011 4.460 -0.001 0.000 0.313 81 C C 0.169 175.255 174.990 0.160 0.000 1.121 81 C CA -0.869 58.048 59.018 -0.167 0.000 1.507 81 C CB -1.055 26.483 27.740 -0.336 0.000 1.975 81 C HN 0.692 nan 8.230 nan 0.000 0.425 82 W N 1.245 122.730 121.300 0.310 0.000 1.998 82 W HA 0.367 5.027 4.660 -0.001 0.000 0.441 82 W C 0.809 177.573 176.519 0.407 0.000 1.859 82 W CA -0.860 56.663 57.345 0.298 0.000 2.071 82 W CB -0.310 29.278 29.460 0.213 0.000 1.474 82 W HN 0.429 nan 8.180 nan 0.000 0.734 83 S N 0.189 116.163 115.700 0.456 0.000 2.554 83 S HA 0.376 4.845 4.470 -0.001 0.000 0.290 83 S C 0.331 175.160 174.600 0.382 0.000 1.309 83 S CA 0.673 59.016 58.200 0.239 0.000 1.047 83 S CB 0.170 63.425 63.200 0.091 0.000 0.828 83 S HN 0.649 nan 8.310 nan 0.000 0.509 84 G N 0.722 109.732 108.800 0.350 0.000 2.606 84 G HA2 0.609 4.568 3.960 -0.001 0.000 0.300 84 G HA3 0.609 4.568 3.960 -0.001 0.000 0.300 84 G C -1.538 173.533 174.900 0.286 0.000 1.360 84 G CA -0.645 44.708 45.100 0.422 0.000 0.783 84 G HN 0.681 nan 8.290 nan 0.000 0.484 85 S N -1.465 114.393 115.700 0.264 0.000 2.632 85 S HA 0.858 5.328 4.470 -0.001 0.000 0.289 85 S C -0.296 174.432 174.600 0.213 0.000 1.115 85 S CA -0.125 58.207 58.200 0.219 0.000 0.889 85 S CB 1.814 65.146 63.200 0.219 0.000 1.116 85 S HN 1.552 nan 8.310 nan 0.000 0.486 86 A N 1.164 124.111 122.820 0.212 0.000 2.317 86 A HA 0.790 5.109 4.320 -0.001 0.000 0.327 86 A C -0.535 177.180 177.584 0.218 0.000 1.178 86 A CA -0.562 51.590 52.037 0.191 0.000 0.817 86 A CB 0.653 19.768 19.000 0.192 0.000 1.189 86 A HN 0.602 nan 8.150 nan 0.000 0.489 87 T N 2.897 117.538 114.554 0.146 0.000 2.881 87 T HA 0.419 4.769 4.350 -0.001 0.000 0.291 87 T C -0.434 174.241 174.700 -0.041 0.000 0.990 87 T CA -0.033 62.124 62.100 0.095 0.000 0.976 87 T CB 0.607 69.487 68.868 0.021 0.000 0.970 87 T HN 0.467 nan 8.240 nan 0.000 0.438 88 I N 4.609 125.230 120.570 0.085 0.000 2.291 88 I HA 0.258 4.427 4.170 -0.001 0.000 0.292 88 I C 0.230 176.388 176.117 0.068 0.000 1.064 88 I CA -0.540 60.805 61.300 0.075 0.000 1.269 88 I CB 0.389 38.523 38.000 0.222 0.000 1.418 88 I HN 0.377 nan 8.210 nan 0.000 0.485 89 L N 7.803 128.971 121.223 -0.092 0.000 2.453 89 L HA 0.366 4.706 4.340 -0.001 0.000 0.261 89 L C -2.131 174.813 176.870 0.123 0.000 1.179 89 L CA -1.888 52.945 54.840 -0.013 0.000 0.813 89 L CB -0.209 41.689 42.059 -0.268 0.000 1.110 89 L HN 0.255 nan 8.230 nan 0.000 0.466 90 P HA 0.042 nan 4.420 nan 0.000 0.266 90 P C 0.653 178.008 177.300 0.093 0.000 1.193 90 P CA 0.854 64.046 63.100 0.153 0.000 0.770 90 P CB 0.649 32.441 31.700 0.153 0.000 0.836 91 G N 2.250 111.100 108.800 0.084 0.000 2.194 91 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.236 91 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.236 91 G C 0.501 175.449 174.900 0.080 0.000 0.987 91 G CA 0.093 45.228 45.100 0.059 0.000 0.635 91 G HN 0.645 nan 8.290 nan 0.000 0.520 92 N N -1.169 117.602 118.700 0.119 0.000 2.771 92 N HA -0.146 4.594 4.740 -0.001 0.000 0.249 92 N C -0.425 175.209 175.510 0.207 0.000 1.069 92 N CA 1.423 54.600 53.050 0.213 0.000 0.688 92 N CB -1.288 37.321 38.487 0.203 0.000 0.928 92 N HN 1.061 nan 8.380 nan 0.000 0.551 93 I N -0.422 120.176 120.570 0.046 0.000 2.389 93 I HA 0.464 4.633 4.170 -0.001 0.000 0.288 93 I C -2.237 173.781 176.117 -0.165 0.000 0.999 93 I CA -2.057 59.191 61.300 -0.088 0.000 1.129 93 I CB 1.760 39.661 38.000 -0.164 0.000 1.288 93 I HN -0.065 nan 8.210 nan 0.000 0.444 94 P HA 0.360 nan 4.420 nan 0.000 0.282 94 P C -0.849 176.431 177.300 -0.033 0.000 1.274 94 P CA -0.225 62.762 63.100 -0.188 0.000 0.770 94 P CB 1.018 32.522 31.700 -0.327 0.000 0.867 95 A N 4.258 127.046 122.820 -0.053 0.000 2.288 95 A HA 0.719 5.039 4.320 -0.001 0.000 0.320 95 A C -0.585 177.095 177.584 0.159 0.000 1.217 95 A CA -0.549 51.507 52.037 0.031 0.000 0.840 95 A CB 0.357 19.174 19.000 -0.305 0.000 1.179 95 A HN 0.447 nan 8.150 nan 0.000 0.504 96 M N 3.026 122.760 119.600 0.223 0.000 2.167 96 M HA 0.533 5.013 4.480 -0.001 0.000 0.333 96 M C -1.396 174.970 176.300 0.110 0.000 1.030 96 M CA -0.324 55.028 55.300 0.087 0.000 0.963 96 M CB 0.795 33.263 32.600 -0.221 0.000 1.589 96 M HN 0.568 nan 8.290 nan 0.000 0.431 97 L N 6.891 128.171 121.223 0.095 0.000 2.305 97 L HA 0.604 4.944 4.340 -0.001 0.000 0.284 97 L C -1.234 175.656 176.870 0.034 0.000 1.013 97 L CA -0.862 53.956 54.840 -0.037 0.000 0.819 97 L CB 0.803 42.772 42.059 -0.151 0.000 1.227 97 L HN 0.766 nan 8.230 nan 0.000 0.417 98 Y N 0.191 120.399 120.300 -0.154 0.000 2.615 98 Y HA 0.629 5.179 4.550 -0.001 0.000 0.341 98 Y C -0.534 175.326 175.900 -0.066 0.000 1.089 98 Y CA -1.187 56.886 58.100 -0.046 0.000 1.049 98 Y CB 1.322 39.692 38.460 -0.151 0.000 1.296 98 Y HN 0.252 nan 8.280 nan 0.000 0.470 99 T N 2.092 116.746 114.554 0.166 0.000 2.771 99 T HA 0.598 4.948 4.350 -0.001 0.000 0.291 99 T C 0.161 174.963 174.700 0.170 0.000 0.954 99 T CA -0.091 62.060 62.100 0.086 0.000 1.045 99 T CB 0.652 69.656 68.868 0.227 0.000 0.917 99 T HN 1.006 nan 8.240 nan 0.000 0.484 100 G N 1.004 109.778 108.800 -0.044 0.000 2.432 100 G HA2 0.517 4.477 3.960 -0.001 0.000 0.331 100 G HA3 0.517 4.477 3.960 -0.001 0.000 0.331 100 G C -0.725 174.070 174.900 -0.175 0.000 1.170 100 G CA -0.605 44.437 45.100 -0.096 0.000 0.943 100 G HN 0.605 nan 8.290 nan 0.000 0.483 101 S N 0.567 116.020 115.700 -0.412 0.000 2.423 101 S HA 0.369 4.838 4.470 -0.001 0.000 0.317 101 S C 0.119 174.604 174.600 -0.192 0.000 1.065 101 S CA -0.870 57.115 58.200 -0.357 0.000 1.111 101 S CB 0.053 62.777 63.200 -0.793 0.000 0.968 101 S HN 0.733 nan 8.310 nan 0.000 0.474 102 D N 3.208 123.558 120.400 -0.085 0.000 2.380 102 D HA 0.115 4.755 4.640 -0.001 0.000 0.254 102 D C 1.512 177.786 176.300 -0.043 0.000 1.288 102 D CA -0.010 53.953 54.000 -0.061 0.000 1.008 102 D CB 0.050 40.829 40.800 -0.035 0.000 1.099 102 D HN 0.394 nan 8.370 nan 0.000 0.537 103 S N -0.938 114.742 115.700 -0.033 0.000 2.440 103 S HA -0.207 4.263 4.470 -0.001 0.000 0.238 103 S C 1.157 175.752 174.600 -0.007 0.000 1.010 103 S CA 0.796 58.982 58.200 -0.022 0.000 0.972 103 S CB -0.508 62.681 63.200 -0.020 0.000 0.774 103 S HN 0.539 nan 8.310 nan 0.000 0.501 104 K N 0.854 121.254 120.400 0.000 0.000 2.437 104 K HA 0.327 4.647 4.320 -0.001 0.000 0.205 104 K C -0.019 176.599 176.600 0.031 0.000 1.026 104 K CA 0.271 56.566 56.287 0.013 0.000 1.153 104 K CB 0.215 32.721 32.500 0.011 0.000 0.863 104 K HN 0.271 nan 8.250 nan 0.000 0.502 105 S N 1.103 116.823 115.700 0.034 0.000 3.561 105 S HA -0.170 4.300 4.470 -0.001 0.000 0.318 105 S C -0.110 174.555 174.600 0.109 0.000 1.181 105 S CA 0.774 59.019 58.200 0.074 0.000 0.916 105 S CB -1.044 62.210 63.200 0.090 0.000 0.966 105 S HN 0.435 nan 8.310 nan 0.000 0.550 106 R N 0.798 121.347 120.500 0.081 0.000 2.457 106 R HA 0.365 4.705 4.340 -0.001 0.000 0.284 106 R C 0.215 176.602 176.300 0.146 0.000 1.024 106 R CA -0.445 55.719 56.100 0.107 0.000 1.025 106 R CB 0.580 30.919 30.300 0.066 0.000 1.063 106 R HN 0.397 nan 8.270 nan 0.000 0.493 107 Q N 2.075 122.007 119.800 0.220 0.000 2.322 107 Q HA 0.291 4.631 4.340 -0.001 0.000 0.256 107 Q C -0.443 175.690 176.000 0.221 0.000 0.960 107 Q CA -0.478 55.486 55.803 0.268 0.000 0.934 107 Q CB 1.475 30.419 28.738 0.343 0.000 1.200 107 Q HN 0.376 nan 8.270 nan 0.000 0.435 108 V N -0.376 119.598 119.914 0.100 0.000 2.962 108 V HA 0.466 4.585 4.120 -0.001 0.000 0.313 108 V C -0.993 175.028 176.094 -0.123 0.000 1.099 108 V CA -1.231 61.094 62.300 0.040 0.000 0.971 108 V CB 2.291 34.112 31.823 -0.004 0.000 1.028 108 V HN 0.517 nan 8.190 nan 0.000 0.430 109 Q N 2.197 121.877 119.800 -0.200 0.000 2.296 109 Q HA 0.569 4.909 4.340 -0.001 0.000 0.257 109 Q C -1.089 174.658 176.000 -0.422 0.000 0.942 109 Q CA -0.116 55.464 55.803 -0.373 0.000 0.939 109 Q CB 1.290 29.744 28.738 -0.473 0.000 1.198 109 Q HN 0.850 nan 8.270 nan 0.000 0.429 110 D N 1.401 121.409 120.400 -0.652 0.000 2.299 110 D HA 0.480 5.119 4.640 -0.001 0.000 0.243 110 D C -0.508 175.439 176.300 -0.588 0.000 0.982 110 D CA -0.598 53.000 54.000 -0.669 0.000 0.924 110 D CB 2.070 42.310 40.800 -0.933 0.000 1.238 110 D HN 0.219 nan 8.370 nan 0.000 0.484 111 L N 0.449 121.539 121.223 -0.221 0.000 2.362 111 L HA 0.785 5.124 4.340 -0.001 0.000 0.271 111 L C -1.438 175.573 176.870 0.234 0.000 1.002 111 L CA -0.397 54.473 54.840 0.050 0.000 0.818 111 L CB 1.380 43.529 42.059 0.150 0.000 1.298 111 L HN 0.578 nan 8.230 nan 0.000 0.420 112 A N 3.816 126.826 122.820 0.317 0.000 2.606 112 A HA 0.839 5.158 4.320 -0.001 0.000 0.293 112 A C -2.154 175.742 177.584 0.520 0.000 1.082 112 A CA -0.444 51.760 52.037 0.279 0.000 0.685 112 A CB 1.449 20.483 19.000 0.057 0.000 1.284 112 A HN 0.876 nan 8.150 nan 0.000 0.408 113 W N -0.816 120.600 121.300 0.192 0.000 3.074 113 W HA 0.721 5.381 4.660 -0.001 0.000 0.332 113 W C -3.475 172.819 176.519 -0.376 0.000 1.253 113 W CA -2.418 54.936 57.345 0.016 0.000 1.180 113 W CB 0.264 29.683 29.460 -0.067 0.000 1.445 113 W HN 0.467 nan 8.180 nan 0.000 0.573 114 P HA 0.025 nan 4.420 nan 0.000 0.265 114 P C 0.305 177.298 177.300 -0.512 0.000 1.193 114 P CA 0.171 62.632 63.100 -1.067 0.000 0.765 114 P CB 1.020 32.166 31.700 -0.923 0.000 0.823 115 K N 2.205 122.319 120.400 -0.476 0.000 2.393 115 K HA 0.051 4.370 4.320 -0.001 0.000 0.193 115 K C 0.172 176.683 176.600 -0.149 0.000 1.026 115 K CA 0.368 56.486 56.287 -0.282 0.000 1.064 115 K CB 0.156 32.501 32.500 -0.258 0.000 0.833 115 K HN 0.276 nan 8.250 nan 0.000 0.521 116 N N 0.930 119.535 118.700 -0.157 0.000 2.707 116 N HA 0.092 4.831 4.740 -0.001 0.000 0.249 116 N C 0.049 175.532 175.510 -0.046 0.000 1.299 116 N CA -0.173 52.835 53.050 -0.070 0.000 0.769 116 N CB 0.474 38.932 38.487 -0.047 0.000 1.236 116 N HN 0.019 nan 8.380 nan 0.000 0.524 117 L N 0.362 121.577 121.223 -0.014 0.000 2.549 117 L HA -0.086 4.253 4.340 -0.001 0.000 0.230 117 L C 1.842 178.767 176.870 0.091 0.000 1.162 117 L CA 1.116 55.990 54.840 0.056 0.000 0.834 117 L CB -0.322 41.793 42.059 0.094 0.000 0.947 117 L HN 0.495 nan 8.230 nan 0.000 0.452 118 S N -2.360 113.369 115.700 0.047 0.000 2.527 118 S HA -0.072 4.397 4.470 -0.001 0.000 0.222 118 S C 0.730 175.350 174.600 0.033 0.000 0.985 118 S CA -0.211 58.011 58.200 0.037 0.000 0.921 118 S CB -0.228 62.982 63.200 0.017 0.000 0.772 118 S HN 0.324 nan 8.310 nan 0.000 0.529 119 D N 3.437 123.863 120.400 0.045 0.000 2.365 119 D HA 0.259 4.899 4.640 -0.001 0.000 0.237 119 D C -1.181 175.188 176.300 0.115 0.000 1.190 119 D CA -2.449 51.579 54.000 0.046 0.000 0.867 119 D CB 1.497 42.336 40.800 0.065 0.000 1.050 119 D HN 0.070 nan 8.370 nan 0.000 0.491 120 P HA -0.139 nan 4.420 nan 0.000 0.221 120 P C 0.791 178.361 177.300 0.450 0.000 1.145 120 P CA 0.704 63.894 63.100 0.151 0.000 0.795 120 P CB 0.066 31.747 31.700 -0.032 0.000 0.775 121 F N -0.743 119.340 119.950 0.222 0.000 2.727 121 F HA 0.274 4.801 4.527 -0.001 0.000 0.302 121 F C 1.403 177.520 175.800 0.528 0.000 1.097 121 F CA -1.307 56.862 58.000 0.281 0.000 1.330 121 F CB -1.028 38.048 39.000 0.127 0.000 1.084 121 F HN -0.249 nan 8.300 nan 0.000 0.578 122 L N 0.605 122.153 121.223 0.541 0.000 3.879 122 L HA -0.362 3.977 4.340 -0.001 0.000 0.481 122 L C 1.394 178.573 176.870 0.515 0.000 1.232 122 L CA 0.089 55.122 54.840 0.322 0.000 0.736 122 L CB -1.282 40.883 42.059 0.177 0.000 1.511 122 L HN 0.241 nan 8.230 nan 0.000 0.830 123 R N -0.033 120.723 120.500 0.427 0.000 2.073 123 R HA 0.013 4.352 4.340 -0.001 0.000 0.229 123 R C 0.617 177.176 176.300 0.433 0.000 1.120 123 R CA 0.774 57.167 56.100 0.489 0.000 0.967 123 R CB 0.083 30.588 30.300 0.342 0.000 0.862 123 R HN 0.391 nan 8.270 nan 0.000 0.436 124 E N -0.074 120.233 120.200 0.178 0.000 2.216 124 E HA 0.120 4.469 4.350 -0.001 0.000 0.279 124 E C -1.026 175.474 176.600 -0.166 0.000 0.997 124 E CA -0.128 56.332 56.400 0.101 0.000 0.817 124 E CB 1.065 30.776 29.700 0.018 0.000 1.096 124 E HN 0.024 nan 8.360 nan 0.000 0.393 125 W N 1.110 122.302 121.300 -0.179 0.000 2.844 125 W HA 0.478 5.137 4.660 -0.001 0.000 0.340 125 W C -0.454 175.822 176.519 -0.405 0.000 1.093 125 W CA -0.794 56.364 57.345 -0.313 0.000 1.212 125 W CB 1.364 30.598 29.460 -0.377 0.000 1.422 125 W HN 0.163 nan 8.180 nan 0.000 0.515 126 V N 4.021 123.692 119.914 -0.406 0.000 2.628 126 V HA 0.555 4.674 4.120 -0.001 0.000 0.306 126 V C -0.536 175.190 176.094 -0.612 0.000 1.045 126 V CA -1.016 60.950 62.300 -0.555 0.000 0.905 126 V CB 1.393 32.756 31.823 -0.766 0.000 0.997 126 V HN 0.368 nan 8.190 nan 0.000 0.436 127 K N 3.682 123.839 120.400 -0.405 0.000 2.118 127 K HA 0.348 4.667 4.320 -0.001 0.000 0.267 127 K C -0.617 175.876 176.600 -0.178 0.000 0.991 127 K CA -0.515 55.636 56.287 -0.227 0.000 0.916 127 K CB 1.184 33.604 32.500 -0.133 0.000 1.041 127 K HN 0.916 nan 8.250 nan 0.000 0.455 128 H N 2.465 121.545 119.070 0.016 0.000 2.722 128 H HA 0.072 4.627 4.556 -0.001 0.000 0.328 128 H C -1.674 173.700 175.328 0.077 0.000 1.067 128 H CA -1.125 55.044 56.048 0.201 0.000 1.447 128 H CB 1.116 31.075 29.762 0.328 0.000 1.469 128 H HN 0.296 nan 8.280 nan 0.000 0.544 129 P HA -0.163 nan 4.420 nan 0.000 0.218 129 P C 0.323 177.672 177.300 0.082 0.000 1.146 129 P CA 1.644 64.696 63.100 -0.079 0.000 0.813 129 P CB 0.233 31.845 31.700 -0.147 0.000 0.778 130 K N -1.327 119.277 120.400 0.340 0.000 2.458 130 K HA 0.077 4.397 4.320 -0.001 0.000 0.194 130 K C 0.170 176.867 176.600 0.162 0.000 1.024 130 K CA -0.183 56.269 56.287 0.275 0.000 1.108 130 K CB -0.320 32.369 32.500 0.315 0.000 0.846 130 K HN 0.167 nan 8.250 nan 0.000 0.518 131 N N 3.082 121.865 118.700 0.138 0.000 2.454 131 N HA 0.020 4.760 4.740 -0.001 0.000 0.254 131 N C -2.393 173.113 175.510 -0.007 0.000 1.228 131 N CA -0.849 52.214 53.050 0.021 0.000 0.900 131 N CB 0.317 38.791 38.487 -0.023 0.000 1.089 131 N HN 0.097 nan 8.380 nan 0.000 0.449 132 P HA 0.111 nan 4.420 nan 0.000 0.279 132 P C 0.388 177.656 177.300 -0.055 0.000 1.239 132 P CA -0.445 62.610 63.100 -0.076 0.000 0.789 132 P CB 1.102 32.759 31.700 -0.071 0.000 0.933 133 L N 2.603 123.768 121.223 -0.097 0.000 2.270 133 L HA 0.210 4.549 4.340 -0.001 0.000 0.210 133 L C 1.085 177.920 176.870 -0.059 0.000 1.104 133 L CA 1.158 55.963 54.840 -0.058 0.000 0.804 133 L CB -0.431 41.584 42.059 -0.074 0.000 0.937 133 L HN 0.403 nan 8.230 nan 0.000 0.450 134 I N -1.392 119.102 120.570 -0.126 0.000 2.607 134 I HA 0.319 4.489 4.170 -0.001 0.000 0.290 134 I C -0.406 175.729 176.117 0.031 0.000 1.129 134 I CA -0.504 60.736 61.300 -0.099 0.000 1.042 134 I CB 2.161 39.956 38.000 -0.341 0.000 1.242 134 I HN -0.077 nan 8.210 nan 0.000 0.421 135 T N 1.818 116.395 114.554 0.038 0.000 2.930 135 T HA 0.594 4.944 4.350 -0.001 0.000 0.290 135 T C -2.879 171.659 174.700 -0.272 0.000 1.052 135 T CA -2.557 59.553 62.100 0.016 0.000 1.017 135 T CB 1.713 70.561 68.868 -0.033 0.000 1.137 135 T HN 0.153 nan 8.240 nan 0.000 0.511 136 P HA 0.128 nan 4.420 nan 0.000 0.260 136 P C -2.095 174.803 177.300 -0.670 0.000 1.172 136 P CA -0.499 62.059 63.100 -0.902 0.000 0.760 136 P CB -0.352 31.132 31.700 -0.359 0.000 0.773 137 P HA -0.001 nan 4.420 nan 0.000 0.273 137 P C 0.909 178.014 177.300 -0.325 0.000 1.250 137 P CA -0.087 62.719 63.100 -0.491 0.000 0.793 137 P CB 0.792 32.135 31.700 -0.595 0.000 1.011 138 E N 1.815 121.887 120.200 -0.213 0.000 2.358 138 E HA -0.245 4.104 4.350 -0.001 0.000 0.250 138 E C 1.435 177.964 176.600 -0.119 0.000 0.987 138 E CA 2.631 58.947 56.400 -0.139 0.000 1.029 138 E CB -1.482 28.155 29.700 -0.105 0.000 0.979 138 E HN 0.681 nan 8.360 nan 0.000 0.533 139 G N -0.259 108.482 108.800 -0.099 0.000 3.782 139 G HA2 0.423 4.382 3.960 -0.001 0.000 0.288 139 G HA3 0.423 4.382 3.960 -0.001 0.000 0.288 139 G C -0.908 173.963 174.900 -0.049 0.000 1.300 139 G CA -0.005 45.058 45.100 -0.061 0.000 1.261 139 G HN 0.166 nan 8.290 nan 0.000 0.591 140 V N 0.457 120.313 119.914 -0.097 0.000 2.495 140 V HA 0.314 4.434 4.120 -0.001 0.000 0.298 140 V C 0.230 176.299 176.094 -0.041 0.000 1.031 140 V CA -1.191 61.073 62.300 -0.060 0.000 0.871 140 V CB 1.961 33.683 31.823 -0.168 0.000 0.988 140 V HN 0.277 nan 8.190 nan 0.000 0.432 141 K N 2.254 122.669 120.400 0.025 0.000 2.319 141 K HA 0.100 4.419 4.320 -0.001 0.000 0.265 141 K C 0.479 177.116 176.600 0.063 0.000 1.000 141 K CA -0.361 55.949 56.287 0.039 0.000 0.943 141 K CB 0.532 33.067 32.500 0.058 0.000 0.950 141 K HN 0.591 nan 8.250 nan 0.000 0.485 142 D N 1.619 122.055 120.400 0.061 0.000 2.311 142 D HA -0.142 4.497 4.640 -0.001 0.000 0.212 142 D C 0.619 177.013 176.300 0.157 0.000 0.972 142 D CA 1.342 55.398 54.000 0.093 0.000 0.887 142 D CB 0.025 40.870 40.800 0.076 0.000 0.915 142 D HN 0.550 nan 8.370 nan 0.000 0.497 143 D N -1.010 119.478 120.400 0.146 0.000 2.593 143 D HA 0.041 4.680 4.640 -0.001 0.000 0.241 143 D C -0.027 176.368 176.300 0.158 0.000 1.257 143 D CA -0.378 53.720 54.000 0.162 0.000 0.828 143 D CB -0.771 40.104 40.800 0.125 0.000 1.049 143 D HN -0.030 nan 8.370 nan 0.000 0.490 144 C N 0.622 120.044 119.300 0.203 0.000 3.025 144 C HA 0.427 4.886 4.460 -0.001 0.000 0.240 144 C C -0.844 174.375 174.990 0.382 0.000 2.061 144 C CA -0.800 58.358 59.018 0.232 0.000 1.571 144 C CB -1.290 26.562 27.740 0.187 0.000 3.075 144 C HN 0.348 nan 8.230 nan 0.000 0.479 145 F N 3.388 123.434 119.950 0.161 0.000 3.228 145 F HA 0.569 5.096 4.527 -0.001 0.000 0.385 145 F C -0.145 175.750 175.800 0.158 0.000 1.247 145 F CA -0.554 57.552 58.000 0.177 0.000 1.211 145 F CB 0.222 39.275 39.000 0.088 0.000 1.719 145 F HN 0.448 nan 8.300 nan 0.000 0.630 146 R N 2.112 122.571 120.500 -0.068 0.000 2.762 146 R HA 0.567 4.906 4.340 -0.001 0.000 0.271 146 R C -1.586 174.687 176.300 -0.046 0.000 1.038 146 R CA -0.877 55.170 56.100 -0.089 0.000 0.906 146 R CB 0.873 31.230 30.300 0.094 0.000 1.259 146 R HN 0.189 nan 8.270 nan 0.000 0.457 147 D N 0.264 120.670 120.400 0.011 0.000 2.990 147 D HA -0.075 4.564 4.640 -0.001 0.000 0.245 147 D C -2.321 173.995 176.300 0.027 0.000 1.120 147 D CA 0.601 54.636 54.000 0.058 0.000 0.838 147 D CB -0.894 39.964 40.800 0.097 0.000 1.000 147 D HN 0.489 nan 8.370 nan 0.000 0.420 148 P HA 0.074 nan 4.420 nan 0.000 0.269 148 P C 0.390 177.724 177.300 0.056 0.000 1.209 148 P CA -0.110 62.946 63.100 -0.074 0.000 0.776 148 P CB 1.054 32.617 31.700 -0.227 0.000 0.876 149 S N 1.557 117.328 115.700 0.118 0.000 2.694 149 S HA 0.339 4.808 4.470 -0.001 0.000 0.278 149 S C 0.252 175.013 174.600 0.268 0.000 1.152 149 S CA -0.445 57.900 58.200 0.241 0.000 1.010 149 S CB -0.196 63.226 63.200 0.369 0.000 1.104 149 S HN 0.402 nan 8.310 nan 0.000 0.547 150 T N 1.595 116.370 114.554 0.369 0.000 2.918 150 T HA 0.549 4.898 4.350 -0.001 0.000 0.302 150 T C 0.409 175.430 174.700 0.535 0.000 1.045 150 T CA 0.162 62.508 62.100 0.409 0.000 1.114 150 T CB 0.441 69.570 68.868 0.434 0.000 0.965 150 T HN 0.932 nan 8.240 nan 0.000 0.540 151 A N 2.481 125.613 122.820 0.521 0.000 2.286 151 A HA 0.720 5.039 4.320 -0.001 0.000 0.286 151 A C -0.768 177.365 177.584 0.915 0.000 1.097 151 A CA -0.891 51.506 52.037 0.600 0.000 0.821 151 A CB 0.423 19.790 19.000 0.613 0.000 1.076 151 A HN 0.954 nan 8.150 nan 0.000 0.490 152 W N 0.465 122.215 121.300 0.750 0.000 2.883 152 W HA 0.612 5.271 4.660 -0.001 0.000 0.335 152 W C -1.613 175.203 176.519 0.494 0.000 1.083 152 W CA -1.168 56.550 57.345 0.622 0.000 1.233 152 W CB 0.922 30.666 29.460 0.473 0.000 1.412 152 W HN 0.496 nan 8.180 nan 0.000 0.490 153 L N 4.548 125.913 121.223 0.237 0.000 2.257 153 L HA 0.742 5.081 4.340 -0.001 0.000 0.290 153 L C 0.523 177.408 176.870 0.025 0.000 1.044 153 L CA -0.103 54.534 54.840 -0.339 0.000 0.810 153 L CB 0.509 41.992 42.059 -0.960 0.000 1.193 153 L HN 0.780 nan 8.230 nan 0.000 0.425 154 G N 5.031 113.849 108.800 0.029 0.000 2.599 154 G HA2 0.327 4.287 3.960 -0.001 0.000 0.264 154 G HA3 0.327 4.287 3.960 -0.001 0.000 0.264 154 G C -1.772 173.133 174.900 0.009 0.000 1.200 154 G CA -0.658 44.498 45.100 0.092 0.000 0.896 154 G HN 0.675 nan 8.290 nan 0.000 0.536 155 P HA -0.087 nan 4.420 nan 0.000 0.225 155 P C 0.636 177.921 177.300 -0.025 0.000 1.148 155 P CA 1.211 64.316 63.100 0.007 0.000 0.779 155 P CB 0.182 31.838 31.700 -0.073 0.000 0.780 156 D N -1.123 119.246 120.400 -0.051 0.000 2.328 156 D HA 0.082 4.721 4.640 -0.001 0.000 0.226 156 D C 1.394 177.658 176.300 -0.061 0.000 1.066 156 D CA 0.345 54.318 54.000 -0.046 0.000 0.861 156 D CB -1.071 39.703 40.800 -0.042 0.000 0.912 156 D HN 0.223 nan 8.370 nan 0.000 0.521 157 G N -0.391 108.353 108.800 -0.094 0.000 2.153 157 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.252 157 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.252 157 G C 0.014 174.797 174.900 -0.194 0.000 0.994 157 G CA 0.350 45.360 45.100 -0.150 0.000 0.698 157 G HN 0.397 nan 8.290 nan 0.000 0.521 158 V N -0.156 119.659 119.914 -0.165 0.000 2.483 158 V HA 0.664 4.783 4.120 -0.001 0.000 0.295 158 V C 0.386 176.403 176.094 -0.129 0.000 1.035 158 V CA -0.995 61.235 62.300 -0.117 0.000 0.896 158 V CB 1.226 33.025 31.823 -0.041 0.000 0.986 158 V HN 0.307 nan 8.190 nan 0.000 0.447 159 W N 3.694 124.971 121.300 -0.038 0.000 2.251 159 W HA 0.694 5.353 4.660 -0.001 0.000 0.329 159 W C 0.363 176.837 176.519 -0.075 0.000 1.234 159 W CA -0.274 57.073 57.345 0.003 0.000 1.228 159 W CB 0.896 30.422 29.460 0.110 0.000 1.135 159 W HN 0.366 nan 8.180 nan 0.000 0.576 160 R N 2.452 122.936 120.500 -0.026 0.000 2.744 160 R HA 0.747 5.087 4.340 -0.001 0.000 0.279 160 R C -0.866 174.999 176.300 -0.724 0.000 0.977 160 R CA -0.825 54.974 56.100 -0.501 0.000 0.906 160 R CB 1.639 31.227 30.300 -1.187 0.000 1.197 160 R HN 0.534 nan 8.270 nan 0.000 0.463 161 I N -1.966 118.334 120.570 -0.450 0.000 3.004 161 I HA 0.750 4.919 4.170 -0.001 0.000 0.305 161 I C -0.992 175.129 176.117 0.007 0.000 1.312 161 I CA -1.359 59.794 61.300 -0.246 0.000 0.992 161 I CB 2.297 40.123 38.000 -0.289 0.000 1.282 161 I HN 0.352 nan 8.210 nan 0.000 0.449 162 V N 1.393 121.416 119.914 0.182 0.000 2.864 162 V HA 0.873 4.993 4.120 -0.001 0.000 0.314 162 V C -0.609 175.594 176.094 0.182 0.000 1.073 162 V CA -0.790 61.658 62.300 0.246 0.000 0.956 162 V CB 1.617 33.608 31.823 0.279 0.000 1.023 162 V HN 0.643 nan 8.190 nan 0.000 0.435 163 V N 2.189 122.248 119.914 0.242 0.000 2.588 163 V HA 0.785 4.904 4.120 -0.001 0.000 0.304 163 V C 0.884 177.123 176.094 0.241 0.000 1.042 163 V CA 0.166 62.522 62.300 0.094 0.000 0.877 163 V CB 1.623 33.337 31.823 -0.182 0.000 0.996 163 V HN 1.315 nan 8.190 nan 0.000 0.425 164 G N 1.857 110.763 108.800 0.177 0.000 2.572 164 G HA2 0.692 4.651 3.960 -0.001 0.000 0.261 164 G HA3 0.692 4.651 3.960 -0.001 0.000 0.261 164 G C 0.179 175.271 174.900 0.319 0.000 1.197 164 G CA 0.417 45.672 45.100 0.259 0.000 0.870 164 G HN 1.433 nan 8.290 nan 0.000 0.548 165 G N -0.192 108.775 108.800 0.279 0.000 2.333 165 G HA2 0.528 4.488 3.960 -0.001 0.000 0.288 165 G HA3 0.528 4.488 3.960 -0.001 0.000 0.288 165 G C -1.796 173.180 174.900 0.127 0.000 1.286 165 G CA 0.122 45.440 45.100 0.363 0.000 0.865 165 G HN 1.251 nan 8.290 nan 0.000 0.506 166 D N -1.857 118.657 120.400 0.191 0.000 2.609 166 D HA 0.618 5.257 4.640 -0.001 0.000 0.239 166 D C -0.592 175.782 176.300 0.124 0.000 1.229 166 D CA -0.783 53.227 54.000 0.017 0.000 0.808 166 D CB 1.797 42.598 40.800 0.002 0.000 1.448 166 D HN 0.517 nan 8.370 nan 0.000 0.433 167 R N 1.383 121.908 120.500 0.041 0.000 2.358 167 R HA 0.296 4.636 4.340 -0.001 0.000 0.309 167 R C -0.975 175.331 176.300 0.010 0.000 1.026 167 R CA -0.447 55.697 56.100 0.073 0.000 0.909 167 R CB 0.211 30.570 30.300 0.099 0.000 1.153 167 R HN 0.551 nan 8.270 nan 0.000 0.515 168 D N 3.442 123.853 120.400 0.018 0.000 2.718 168 D HA -0.219 4.420 4.640 -0.001 0.000 0.242 168 D C -0.117 176.177 176.300 -0.011 0.000 1.123 168 D CA 1.349 55.351 54.000 0.003 0.000 0.690 168 D CB -0.889 39.909 40.800 -0.005 0.000 1.059 168 D HN 0.919 nan 8.370 nan 0.000 0.429 169 N N -0.428 118.270 118.700 -0.004 0.000 2.828 169 N HA -0.258 4.481 4.740 -0.001 0.000 0.248 169 N C -1.033 174.441 175.510 -0.060 0.000 1.044 169 N CA 1.563 54.606 53.050 -0.013 0.000 0.851 169 N CB -1.170 37.315 38.487 -0.004 0.000 1.136 169 N HN 0.609 nan 8.380 nan 0.000 0.572 170 N N -0.010 118.632 118.700 -0.097 0.000 2.457 170 N HA 0.389 5.129 4.740 -0.001 0.000 0.250 170 N C 0.317 175.626 175.510 -0.335 0.000 0.982 170 N CA -0.102 52.839 53.050 -0.182 0.000 0.941 170 N CB 0.975 39.367 38.487 -0.159 0.000 1.120 170 N HN 0.343 nan 8.380 nan 0.000 0.505 171 G N 2.571 111.092 108.800 -0.466 0.000 2.287 171 G HA2 0.056 4.015 3.960 -0.001 0.000 0.235 171 G HA3 0.056 4.015 3.960 -0.001 0.000 0.235 171 G C -0.167 173.865 174.900 -1.446 0.000 1.258 171 G CA 0.097 44.588 45.100 -1.014 0.000 0.884 171 G HN 0.375 nan 8.290 nan 0.000 0.518 172 M N 0.892 119.680 119.600 -1.354 0.000 2.446 172 M HA 0.492 4.972 4.480 -0.001 0.000 0.294 172 M C -0.277 175.515 176.300 -0.847 0.000 1.158 172 M CA -0.945 53.617 55.300 -1.231 0.000 0.899 172 M CB 2.378 34.112 32.600 -1.443 0.000 1.687 172 M HN 0.604 nan 8.290 nan 0.000 0.455 173 A N 3.070 125.540 122.820 -0.584 0.000 2.923 173 A HA 0.649 4.969 4.320 -0.001 0.000 0.343 173 A C -0.929 176.614 177.584 -0.068 0.000 1.199 173 A CA -0.478 51.529 52.037 -0.050 0.000 0.878 173 A CB -0.363 18.769 19.000 0.220 0.000 1.104 173 A HN 0.583 nan 8.150 nan 0.000 0.483 174 F N 1.028 121.076 119.950 0.163 0.000 2.578 174 F HA 0.230 4.756 4.527 -0.001 0.000 0.381 174 F C 0.439 176.353 175.800 0.190 0.000 1.069 174 F CA 0.058 58.169 58.000 0.185 0.000 1.231 174 F CB 0.463 39.711 39.000 0.413 0.000 1.086 174 F HN 0.415 nan 8.300 nan 0.000 0.564 175 L N 5.792 127.147 121.223 0.221 0.000 2.289 175 L HA 0.479 4.819 4.340 -0.001 0.000 0.285 175 L C -1.400 175.445 176.870 -0.042 0.000 1.049 175 L CA -0.584 54.338 54.840 0.136 0.000 0.804 175 L CB 0.322 42.432 42.059 0.087 0.000 1.195 175 L HN 0.412 nan 8.230 nan 0.000 0.428 176 Y N 2.831 123.213 120.300 0.137 0.000 2.499 176 Y HA 0.652 5.201 4.550 -0.001 0.000 0.347 176 Y C -0.265 175.810 175.900 0.292 0.000 0.987 176 Y CA -0.652 57.578 58.100 0.217 0.000 1.044 176 Y CB 1.999 40.557 38.460 0.164 0.000 1.245 176 Y HN 0.535 nan 8.280 nan 0.000 0.461 177 Q N 0.959 121.030 119.800 0.452 0.000 2.413 177 Q HA 0.793 5.133 4.340 -0.001 0.000 0.276 177 Q C -1.260 174.788 176.000 0.080 0.000 1.099 177 Q CA -1.112 54.850 55.803 0.266 0.000 0.814 177 Q CB 2.789 31.613 28.738 0.143 0.000 1.379 177 Q HN 0.582 nan 8.270 nan 0.000 0.436 178 S N -0.835 114.737 115.700 -0.213 0.000 2.558 178 S HA 0.302 4.772 4.470 -0.001 0.000 0.277 178 S C -0.188 174.280 174.600 -0.220 0.000 1.143 178 S CA -0.069 57.815 58.200 -0.527 0.000 0.865 178 S CB 1.212 63.388 63.200 -1.708 0.000 1.102 178 S HN 0.746 nan 8.310 nan 0.000 0.454 179 T N -0.268 114.200 114.554 -0.143 0.000 3.034 179 T HA 0.148 4.497 4.350 -0.001 0.000 0.248 179 T C 0.786 175.544 174.700 0.098 0.000 1.040 179 T CA 1.049 63.157 62.100 0.015 0.000 1.107 179 T CB -0.393 68.462 68.868 -0.021 0.000 0.932 179 T HN 0.646 nan 8.240 nan 0.000 0.474 180 D N -0.549 119.824 120.400 -0.046 0.000 2.398 180 D HA 0.161 4.800 4.640 -0.001 0.000 0.210 180 D C 0.757 177.042 176.300 -0.025 0.000 1.094 180 D CA -0.832 53.161 54.000 -0.013 0.000 0.839 180 D CB -0.551 40.216 40.800 -0.055 0.000 0.963 180 D HN 0.263 nan 8.370 nan 0.000 0.506 181 F N -0.409 119.267 119.950 -0.456 0.000 2.871 181 F HA -0.341 4.186 4.527 -0.001 0.000 0.326 181 F C 0.614 176.257 175.800 -0.262 0.000 0.675 181 F CA 0.841 58.535 58.000 -0.509 0.000 1.188 181 F CB -1.101 37.691 39.000 -0.346 0.000 1.567 181 F HN 0.054 nan 8.300 nan 0.000 0.325 182 V N -1.377 118.356 119.914 -0.302 0.000 3.013 182 V HA 0.161 4.280 4.120 -0.001 0.000 0.238 182 V C 0.816 176.798 176.094 -0.185 0.000 1.161 182 V CA 0.953 63.127 62.300 -0.209 0.000 1.170 182 V CB 0.140 31.822 31.823 -0.236 0.000 0.917 182 V HN 0.172 nan 8.190 nan 0.000 0.478 183 N N 0.563 119.089 118.700 -0.291 0.000 2.457 183 N HA 0.260 4.999 4.740 -0.001 0.000 0.250 183 N C -1.556 173.780 175.510 -0.289 0.000 0.982 183 N CA -0.108 52.843 53.050 -0.164 0.000 0.941 183 N CB 1.084 39.506 38.487 -0.107 0.000 1.120 183 N HN 0.310 nan 8.380 nan 0.000 0.505 184 W N 1.561 122.833 121.300 -0.047 0.000 2.627 184 W HA 0.443 5.103 4.660 -0.001 0.000 0.339 184 W C 0.299 176.890 176.519 0.120 0.000 1.058 184 W CA -0.726 56.628 57.345 0.015 0.000 1.223 184 W CB 1.553 30.981 29.460 -0.053 0.000 1.389 184 W HN 0.009 nan 8.180 nan 0.000 0.541 185 K N 2.284 122.924 120.400 0.400 0.000 2.397 185 K HA 0.409 4.729 4.320 -0.001 0.000 0.253 185 K C -0.488 176.250 176.600 0.230 0.000 0.932 185 K CA -1.316 55.136 56.287 0.276 0.000 0.795 185 K CB 2.637 35.218 32.500 0.134 0.000 1.159 185 K HN 0.410 nan 8.250 nan 0.000 0.424 186 R N 2.445 122.973 120.500 0.047 0.000 2.537 186 R HA 0.018 4.358 4.340 -0.001 0.000 0.280 186 R C -0.700 175.505 176.300 -0.158 0.000 1.058 186 R CA -0.109 55.721 56.100 -0.450 0.000 1.057 186 R CB 0.285 30.321 30.300 -0.441 0.000 0.973 186 R HN 0.555 nan 8.270 nan 0.000 0.438 187 Y N 3.080 123.226 120.300 -0.256 0.000 2.326 187 Y HA -0.046 4.503 4.550 -0.001 0.000 0.333 187 Y C 1.167 177.018 175.900 -0.081 0.000 1.240 187 Y CA 0.157 58.198 58.100 -0.099 0.000 1.365 187 Y CB 1.044 39.478 38.460 -0.043 0.000 1.289 187 Y HN 0.830 nan 8.280 nan 0.000 0.548 188 D N 0.592 120.602 120.400 -0.650 0.000 2.106 188 D HA -0.184 4.455 4.640 -0.001 0.000 0.191 188 D C -0.098 176.113 176.300 -0.148 0.000 0.997 188 D CA 1.764 55.532 54.000 -0.387 0.000 0.834 188 D CB 0.220 40.739 40.800 -0.468 0.000 0.956 188 D HN 0.511 nan 8.370 nan 0.000 0.448 189 Q N 0.258 120.037 119.800 -0.036 0.000 2.257 189 Q HA 0.408 4.747 4.340 -0.001 0.000 0.262 189 Q C -2.121 174.020 176.000 0.236 0.000 0.997 189 Q CA -2.011 53.869 55.803 0.128 0.000 0.873 189 Q CB 1.381 30.209 28.738 0.149 0.000 1.312 189 Q HN 0.251 nan 8.270 nan 0.000 0.450 190 P HA 0.041 nan 4.420 nan 0.000 0.274 190 P C 0.636 177.984 177.300 0.080 0.000 1.237 190 P CA -0.413 62.737 63.100 0.083 0.000 0.793 190 P CB 1.015 32.652 31.700 -0.105 0.000 0.977 191 L N 0.951 122.202 121.223 0.047 0.000 2.046 191 L HA -0.023 4.316 4.340 -0.001 0.000 0.208 191 L C 0.978 177.895 176.870 0.079 0.000 1.077 191 L CA 2.116 56.968 54.840 0.019 0.000 0.747 191 L CB -0.577 41.399 42.059 -0.140 0.000 0.896 191 L HN 0.562 nan 8.230 nan 0.000 0.432 192 S N -2.510 113.222 115.700 0.053 0.000 2.643 192 S HA 0.745 5.215 4.470 -0.001 0.000 0.270 192 S C -1.072 173.444 174.600 -0.140 0.000 1.166 192 S CA -0.106 58.176 58.200 0.138 0.000 0.815 192 S CB 1.083 64.505 63.200 0.370 0.000 1.139 192 S HN 0.572 nan 8.310 nan 0.000 0.472 193 S N 0.411 116.027 115.700 -0.141 0.000 2.655 193 S HA 0.896 5.366 4.470 -0.001 0.000 0.266 193 S C -1.280 173.206 174.600 -0.189 0.000 1.149 193 S CA -0.323 57.523 58.200 -0.590 0.000 0.818 193 S CB 0.754 63.674 63.200 -0.467 0.000 1.130 193 S HN 1.960 nan 8.310 nan 0.000 0.476 194 A N 0.554 123.201 122.820 -0.289 0.000 2.555 194 A HA 0.660 4.979 4.320 -0.001 0.000 0.297 194 A C -1.772 175.709 177.584 -0.170 0.000 1.060 194 A CA -0.743 51.247 52.037 -0.078 0.000 0.710 194 A CB 0.985 20.052 19.000 0.112 0.000 1.282 194 A HN 0.707 nan 8.150 nan 0.000 0.399 195 D N 1.554 121.887 120.400 -0.111 0.000 2.372 195 D HA 0.427 5.067 4.640 -0.001 0.000 0.243 195 D C 1.145 177.381 176.300 -0.107 0.000 1.121 195 D CA 1.413 55.351 54.000 -0.104 0.000 0.898 195 D CB 1.126 41.888 40.800 -0.064 0.000 1.202 195 D HN 1.576 nan 8.370 nan 0.000 0.428 196 A N 1.887 124.653 122.820 -0.090 0.000 2.704 196 A HA -0.224 4.095 4.320 -0.001 0.000 0.299 196 A C 1.305 178.844 177.584 -0.076 0.000 1.507 196 A CA 1.732 53.731 52.037 -0.063 0.000 0.776 196 A CB -2.204 16.776 19.000 -0.035 0.000 1.027 196 A HN 0.659 nan 8.150 nan 0.000 0.475 197 T N -3.492 110.977 114.554 -0.141 0.000 3.023 197 T HA 0.516 4.866 4.350 -0.001 0.000 0.253 197 T C 1.841 176.534 174.700 -0.011 0.000 1.038 197 T CA 1.194 63.169 62.100 -0.208 0.000 0.962 197 T CB 0.312 68.725 68.868 -0.759 0.000 1.018 197 T HN 2.599 nan 8.240 nan 0.000 0.521 198 G N 1.310 110.117 108.800 0.012 0.000 2.760 198 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.246 198 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.246 198 G C -0.325 174.666 174.900 0.152 0.000 1.359 198 G CA -0.629 44.527 45.100 0.094 0.000 0.861 198 G HN 0.537 nan 8.290 nan 0.000 0.541 199 T N 0.865 115.533 114.554 0.190 0.000 2.908 199 T HA 0.258 4.607 4.350 -0.001 0.000 0.301 199 T C -0.006 174.961 174.700 0.445 0.000 1.019 199 T CA 0.748 62.994 62.100 0.244 0.000 1.152 199 T CB 0.292 69.289 68.868 0.216 0.000 0.966 199 T HN 0.486 nan 8.240 nan 0.000 0.540 200 W N 3.520 124.903 121.300 0.138 0.000 2.437 200 W HA 0.302 4.961 4.660 -0.001 0.000 0.312 200 W C 0.622 177.258 176.519 0.196 0.000 1.242 200 W CA -1.074 56.395 57.345 0.207 0.000 1.340 200 W CB -0.410 29.124 29.460 0.124 0.000 1.327 200 W HN 0.659 nan 8.180 nan 0.000 0.476 201 E N 1.897 122.327 120.200 0.382 0.000 2.231 201 E HA 0.262 4.612 4.350 -0.001 0.000 0.277 201 E C 0.108 176.789 176.600 0.135 0.000 0.999 201 E CA -0.573 55.975 56.400 0.245 0.000 0.827 201 E CB 1.124 30.988 29.700 0.273 0.000 1.101 201 E HN 0.363 nan 8.360 nan 0.000 0.393 202 C N 3.035 122.405 119.300 0.117 0.000 3.563 202 C HA -0.101 4.359 4.460 -0.001 0.000 0.284 202 C C -1.850 173.213 174.990 0.122 0.000 1.356 202 C CA -0.672 58.401 59.018 0.091 0.000 2.166 202 C CB -2.509 25.242 27.740 0.018 0.000 1.399 202 C HN 0.578 nan 8.230 nan 0.000 0.583 203 P HA 0.380 nan 4.420 nan 0.000 0.271 203 P C -0.359 177.080 177.300 0.232 0.000 1.218 203 P CA 0.735 63.955 63.100 0.199 0.000 0.780 203 P CB 0.944 32.812 31.700 0.281 0.000 0.901 204 D N 1.191 121.738 120.400 0.245 0.000 2.879 204 D HA 0.527 5.166 4.640 -0.001 0.000 0.236 204 D C -1.994 174.486 176.300 0.300 0.000 1.171 204 D CA -0.456 53.746 54.000 0.336 0.000 0.868 204 D CB 1.026 42.069 40.800 0.404 0.000 1.598 204 D HN 0.111 nan 8.370 nan 0.000 0.497 205 F N 5.011 125.025 119.950 0.108 0.000 2.579 205 F HA 0.544 5.071 4.527 -0.001 0.000 0.325 205 F C -1.747 173.951 175.800 -0.170 0.000 1.162 205 F CA -0.475 57.393 58.000 -0.220 0.000 0.946 205 F CB 0.824 39.612 39.000 -0.352 0.000 1.211 205 F HN 0.336 nan 8.300 nan 0.000 0.447 206 Y N 4.348 124.248 120.300 -0.667 0.000 2.656 206 Y HA 0.808 5.357 4.550 -0.001 0.000 0.334 206 Y C -3.382 172.074 175.900 -0.739 0.000 1.179 206 Y CA -2.922 54.861 58.100 -0.528 0.000 1.050 206 Y CB 1.075 39.419 38.460 -0.192 0.000 1.308 206 Y HN 0.284 nan 8.280 nan 0.000 0.456 207 P HA 0.531 nan 4.420 nan 0.000 0.287 207 P C -1.231 175.962 177.300 -0.177 0.000 1.279 207 P CA -0.595 62.064 63.100 -0.734 0.000 0.867 207 P CB 2.783 34.055 31.700 -0.713 0.000 1.127 208 V N -2.075 117.756 119.914 -0.139 0.000 2.760 208 V HA 0.605 4.724 4.120 -0.001 0.000 0.309 208 V C -2.808 173.289 176.094 0.005 0.000 1.077 208 V CA -2.977 59.331 62.300 0.013 0.000 0.910 208 V CB 2.014 33.892 31.823 0.092 0.000 1.008 208 V HN 0.391 nan 8.190 nan 0.000 0.424 209 P HA 0.371 nan 4.420 nan 0.000 0.282 209 P C -0.297 177.035 177.300 0.053 0.000 1.262 209 P CA -0.238 62.877 63.100 0.025 0.000 0.773 209 P CB 1.340 33.048 31.700 0.013 0.000 0.879 210 L N 3.484 124.736 121.223 0.049 0.000 2.461 210 L HA 0.111 4.450 4.340 -0.001 0.000 0.272 210 L C 1.562 178.462 176.870 0.050 0.000 1.197 210 L CA 0.104 54.981 54.840 0.061 0.000 0.836 210 L CB -0.351 41.742 42.059 0.056 0.000 1.105 210 L HN 0.675 nan 8.230 nan 0.000 0.477 211 N N 1.366 120.102 118.700 0.059 0.000 2.705 211 N HA -0.214 4.526 4.740 -0.001 0.000 0.255 211 N C -0.794 174.726 175.510 0.016 0.000 1.008 211 N CA 0.538 53.612 53.050 0.040 0.000 0.742 211 N CB -0.124 38.379 38.487 0.028 0.000 0.906 211 N HN 0.620 nan 8.380 nan 0.000 0.541 212 S N -1.098 114.613 115.700 0.019 0.000 2.552 212 S HA 0.386 4.855 4.470 -0.001 0.000 0.272 212 S C 0.429 174.975 174.600 -0.091 0.000 1.150 212 S CA 0.126 58.303 58.200 -0.039 0.000 0.849 212 S CB 1.614 64.802 63.200 -0.020 0.000 1.113 212 S HN 0.335 nan 8.310 nan 0.000 0.458 213 T N 0.364 114.739 114.554 -0.298 0.000 3.214 213 T HA 0.412 4.761 4.350 -0.001 0.000 0.264 213 T C 0.204 174.582 174.700 -0.538 0.000 1.012 213 T CA -0.318 61.307 62.100 -0.791 0.000 0.901 213 T CB -0.938 67.225 68.868 -1.176 0.000 1.070 213 T HN 0.528 nan 8.240 nan 0.000 0.561 214 N N -0.280 118.313 118.700 -0.179 0.000 2.563 214 N HA 0.676 5.416 4.740 -0.001 0.000 0.288 214 N C 0.072 175.633 175.510 0.085 0.000 1.246 214 N CA -1.205 51.815 53.050 -0.049 0.000 0.946 214 N CB 1.164 39.636 38.487 -0.025 0.000 1.213 214 N HN 0.327 nan 8.380 nan 0.000 0.578 215 G N -0.352 108.543 108.800 0.160 0.000 2.552 215 G HA2 0.732 4.691 3.960 -0.001 0.000 0.324 215 G HA3 0.732 4.691 3.960 -0.001 0.000 0.324 215 G C -1.226 173.789 174.900 0.191 0.000 1.217 215 G CA -0.454 44.785 45.100 0.231 0.000 0.989 215 G HN 0.274 nan 8.290 nan 0.000 0.490 216 L N -0.269 120.905 121.223 -0.082 0.000 2.409 216 L HA 0.309 4.649 4.340 -0.001 0.000 0.262 216 L C -0.735 175.489 176.870 -1.077 0.000 0.992 216 L CA -0.999 53.529 54.840 -0.519 0.000 0.817 216 L CB 2.536 44.445 42.059 -0.249 0.000 1.350 216 L HN 0.632 nan 8.230 nan 0.000 0.411 217 D N 0.233 119.802 120.400 -1.386 0.000 2.472 217 D HA -0.024 4.616 4.640 -0.001 0.000 0.237 217 D C 1.019 177.165 176.300 -0.257 0.000 1.141 217 D CA 0.278 53.746 54.000 -0.887 0.000 0.875 217 D CB 1.233 41.807 40.800 -0.376 0.000 1.192 217 D HN 0.563 nan 8.370 nan 0.000 0.450 218 T N 1.637 116.207 114.554 0.026 0.000 2.869 218 T HA -0.133 4.216 4.350 -0.001 0.000 0.270 218 T C 1.526 176.378 174.700 0.253 0.000 1.082 218 T CA 1.209 63.417 62.100 0.180 0.000 1.123 218 T CB -0.077 69.017 68.868 0.377 0.000 0.856 218 T HN 0.302 nan 8.240 nan 0.000 0.499 219 S N 0.315 116.173 115.700 0.263 0.000 2.575 219 S HA 0.240 4.709 4.470 -0.001 0.000 0.215 219 S C 0.593 175.357 174.600 0.273 0.000 0.966 219 S CA -0.352 58.056 58.200 0.348 0.000 0.911 219 S CB 0.092 63.483 63.200 0.317 0.000 0.780 219 S HN 0.403 nan 8.310 nan 0.000 0.514 220 V N 2.903 122.881 119.914 0.108 0.000 2.649 220 V HA 0.534 4.654 4.120 -0.001 0.000 0.292 220 V C -0.678 175.495 176.094 0.130 0.000 1.055 220 V CA -0.384 61.909 62.300 -0.012 0.000 1.023 220 V CB 0.433 32.183 31.823 -0.121 0.000 0.992 220 V HN 0.445 nan 8.190 nan 0.000 0.480 221 Y N 3.368 123.755 120.300 0.145 0.000 2.644 221 Y HA 1.017 5.567 4.550 -0.000 0.000 0.338 221 Y C -0.104 175.869 175.900 0.123 0.000 1.119 221 Y CA -0.838 57.383 58.100 0.202 0.000 1.060 221 Y CB 1.498 40.086 38.460 0.212 0.000 1.294 221 Y HN 1.210 nan 8.280 nan 0.000 0.472 222 G N -0.857 108.138 108.800 0.324 0.000 2.347 222 G HA2 0.368 4.328 3.960 -0.001 0.000 0.321 222 G HA3 0.368 4.328 3.960 -0.001 0.000 0.321 222 G C 0.251 175.242 174.900 0.151 0.000 1.412 222 G CA -0.264 44.949 45.100 0.188 0.000 0.990 222 G HN 1.328 nan 8.290 nan 0.000 0.637 223 G N -0.407 108.459 108.800 0.110 0.000 2.448 223 G HA2 0.157 4.116 3.960 -0.001 0.000 0.219 223 G HA3 0.157 4.116 3.960 -0.001 0.000 0.219 223 G C 1.705 176.650 174.900 0.075 0.000 1.127 223 G CA 2.075 47.228 45.100 0.089 0.000 0.766 223 G HN 1.853 nan 8.290 nan 0.000 0.552 224 S N -0.559 115.176 115.700 0.059 0.000 2.679 224 S HA 0.500 4.970 4.470 -0.001 0.000 0.233 224 S C 0.014 174.642 174.600 0.047 0.000 0.951 224 S CA -0.491 57.736 58.200 0.045 0.000 0.973 224 S CB 0.402 63.618 63.200 0.026 0.000 0.778 224 S HN -0.005 nan 8.310 nan 0.000 0.477 225 V N 1.482 121.439 119.914 0.072 0.000 2.789 225 V HA 0.644 4.763 4.120 -0.001 0.000 0.311 225 V C -0.512 175.653 176.094 0.118 0.000 1.073 225 V CA -0.865 61.476 62.300 0.067 0.000 0.921 225 V CB 2.110 33.972 31.823 0.065 0.000 1.009 225 V HN 0.259 nan 8.190 nan 0.000 0.426 226 R N 0.895 121.439 120.500 0.073 0.000 2.854 226 R HA 0.644 4.983 4.340 -0.001 0.000 0.271 226 R C -1.348 174.965 176.300 0.021 0.000 0.994 226 R CA -0.926 55.255 56.100 0.135 0.000 0.945 226 R CB 2.030 32.397 30.300 0.111 0.000 1.194 226 R HN 0.790 nan 8.270 nan 0.000 0.476 227 H N -0.923 118.163 119.070 0.027 0.000 2.573 227 H HA 0.516 5.071 4.556 -0.001 0.000 0.351 227 H C -0.577 174.619 175.328 -0.221 0.000 1.163 227 H CA -0.497 55.409 56.048 -0.236 0.000 1.205 227 H CB 1.824 31.343 29.762 -0.404 0.000 1.605 227 H HN 0.065 nan 8.280 nan 0.000 0.525 228 V N 3.143 122.696 119.914 -0.602 0.000 2.417 228 V HA 0.236 4.356 4.120 -0.001 0.000 0.291 228 V C -0.342 175.383 176.094 -0.616 0.000 1.024 228 V CA -0.779 61.194 62.300 -0.544 0.000 0.861 228 V CB 1.288 32.598 31.823 -0.855 0.000 0.985 228 V HN 0.643 nan 8.190 nan 0.000 0.436 229 M N 6.529 125.937 119.600 -0.320 0.000 2.066 229 M HA 0.485 4.964 4.480 -0.001 0.000 0.340 229 M C -0.728 175.518 176.300 -0.091 0.000 1.053 229 M CA -0.121 55.042 55.300 -0.228 0.000 0.983 229 M CB 0.715 33.008 32.600 -0.512 0.000 1.520 229 M HN 0.576 nan 8.290 nan 0.000 0.428 230 K N 4.062 124.433 120.400 -0.048 0.000 2.259 230 K HA 0.936 5.255 4.320 -0.001 0.000 0.252 230 K C -2.130 174.426 176.600 -0.073 0.000 0.936 230 K CA -0.317 55.957 56.287 -0.023 0.000 0.810 230 K CB 1.703 34.258 32.500 0.092 0.000 1.143 230 K HN 0.807 nan 8.250 nan 0.000 0.427 231 A N 2.037 124.759 122.820 -0.163 0.000 2.574 231 A HA 0.634 4.953 4.320 -0.001 0.000 0.297 231 A C -0.819 176.703 177.584 -0.104 0.000 1.062 231 A CA -0.523 51.380 52.037 -0.223 0.000 0.686 231 A CB 1.586 20.069 19.000 -0.862 0.000 1.285 231 A HN 0.658 nan 8.150 nan 0.000 0.403 232 G N 0.558 109.351 108.800 -0.012 0.000 2.335 232 G HA2 0.780 4.740 3.960 -0.001 0.000 0.316 232 G HA3 0.780 4.740 3.960 -0.001 0.000 0.316 232 G C -0.734 174.404 174.900 0.397 0.000 1.129 232 G CA -0.351 44.773 45.100 0.040 0.000 0.899 232 G HN 1.708 nan 8.290 nan 0.000 0.448 233 F N -0.977 119.257 119.950 0.475 0.000 2.703 233 F HA 0.598 5.125 4.527 -0.001 0.000 0.308 233 F C 0.129 176.191 175.800 0.437 0.000 1.126 233 F CA -1.521 56.721 58.000 0.403 0.000 0.959 233 F CB 0.935 40.125 39.000 0.316 0.000 1.297 233 F HN 0.620 nan 8.300 nan 0.000 0.441 234 E N 1.012 121.520 120.200 0.513 0.000 2.586 234 E HA -0.109 4.240 4.350 -0.001 0.000 0.259 234 E C 1.152 177.800 176.600 0.081 0.000 1.107 234 E CA 1.219 57.815 56.400 0.327 0.000 0.754 234 E CB -1.516 28.460 29.700 0.461 0.000 1.335 234 E HN 1.919 nan 8.360 nan 0.000 0.411 235 G N -0.769 107.991 108.800 -0.066 0.000 2.179 235 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.260 235 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.260 235 G C -0.082 174.467 174.900 -0.586 0.000 0.977 235 G CA 0.811 45.632 45.100 -0.466 0.000 0.641 235 G HN 0.571 nan 8.290 nan 0.000 0.533 236 H N -0.814 118.321 119.070 0.110 0.000 2.985 236 H HA 0.554 5.110 4.556 -0.001 0.000 0.360 236 H C -1.493 173.627 175.328 -0.346 0.000 1.221 236 H CA -1.073 54.879 56.048 -0.160 0.000 1.121 236 H CB 1.507 30.847 29.762 -0.702 0.000 1.854 236 H HN 0.048 nan 8.280 nan 0.000 0.551 237 D N 1.234 121.439 120.400 -0.326 0.000 2.317 237 D HA 0.144 4.784 4.640 -0.001 0.000 0.234 237 D C -0.963 174.942 176.300 -0.658 0.000 1.112 237 D CA -0.151 53.638 54.000 -0.352 0.000 0.840 237 D CB 0.576 41.362 40.800 -0.024 0.000 1.078 237 D HN 0.217 nan 8.370 nan 0.000 0.486 238 W N 2.636 123.731 121.300 -0.341 0.000 2.655 238 W HA 0.553 5.213 4.660 -0.001 0.000 0.358 238 W C -0.330 176.028 176.519 -0.268 0.000 1.100 238 W CA -1.079 56.047 57.345 -0.365 0.000 1.195 238 W CB 0.765 29.972 29.460 -0.422 0.000 1.403 238 W HN 0.283 nan 8.180 nan 0.000 0.589 239 Y N -1.417 118.830 120.300 -0.088 0.000 2.609 239 Y HA 0.788 5.338 4.550 -0.001 0.000 0.336 239 Y C -1.085 174.811 175.900 -0.006 0.000 1.129 239 Y CA -1.605 56.405 58.100 -0.149 0.000 1.040 239 Y CB 1.641 39.873 38.460 -0.380 0.000 1.310 239 Y HN 0.433 nan 8.280 nan 0.000 0.460 240 T N 3.250 117.964 114.554 0.266 0.000 2.952 240 T HA 0.648 4.997 4.350 -0.001 0.000 0.305 240 T C -1.375 173.578 174.700 0.422 0.000 1.064 240 T CA -0.575 61.691 62.100 0.276 0.000 1.008 240 T CB 0.753 69.796 68.868 0.291 0.000 1.078 240 T HN 0.733 nan 8.240 nan 0.000 0.459 241 I N 3.773 124.556 120.570 0.355 0.000 2.396 241 I HA 0.681 4.850 4.170 -0.001 0.000 0.292 241 I C 1.026 177.315 176.117 0.286 0.000 0.999 241 I CA -0.088 61.401 61.300 0.315 0.000 1.310 241 I CB 1.438 39.577 38.000 0.231 0.000 1.404 241 I HN 0.858 nan 8.210 nan 0.000 0.496 242 G N 3.480 112.476 108.800 0.327 0.000 2.634 242 G HA2 0.492 4.451 3.960 -0.001 0.000 0.309 242 G HA3 0.492 4.451 3.960 -0.001 0.000 0.309 242 G C -1.447 173.543 174.900 0.150 0.000 1.299 242 G CA -0.358 44.757 45.100 0.024 0.000 0.798 242 G HN 0.375 nan 8.290 nan 0.000 0.490 243 T N 0.248 114.797 114.554 -0.008 0.000 2.823 243 T HA 0.516 4.866 4.350 -0.001 0.000 0.279 243 T C -1.618 173.236 174.700 0.256 0.000 0.998 243 T CA -0.097 62.092 62.100 0.148 0.000 0.994 243 T CB 1.481 70.387 68.868 0.064 0.000 0.960 243 T HN 0.476 nan 8.240 nan 0.000 0.448 244 Y N 2.096 122.482 120.300 0.143 0.000 2.328 244 Y HA 0.526 5.076 4.550 -0.001 0.000 0.337 244 Y C -0.496 175.425 175.900 0.035 0.000 0.966 244 Y CA -1.314 56.844 58.100 0.097 0.000 1.136 244 Y CB 1.185 39.512 38.460 -0.222 0.000 1.170 244 Y HN 0.533 nan 8.280 nan 0.000 0.470 245 S N 9.577 125.081 115.700 -0.327 0.000 2.528 245 S HA 0.207 4.677 4.470 -0.001 0.000 0.303 245 S C -1.870 172.331 174.600 -0.664 0.000 1.123 245 S CA -1.172 56.784 58.200 -0.406 0.000 1.138 245 S CB 1.023 64.135 63.200 -0.148 0.000 0.984 245 S HN 0.659 nan 8.310 nan 0.000 0.474 246 P HA -0.217 nan 4.420 nan 0.000 0.216 246 P C 1.071 178.214 177.300 -0.261 0.000 1.150 246 P CA 1.410 64.138 63.100 -0.621 0.000 0.843 246 P CB 0.047 31.506 31.700 -0.400 0.000 0.787 247 D N 0.829 121.096 120.400 -0.222 0.000 2.123 247 D HA -0.204 4.435 4.640 -0.001 0.000 0.196 247 D C 1.631 177.896 176.300 -0.058 0.000 0.992 247 D CA 1.237 55.169 54.000 -0.113 0.000 0.833 247 D CB -0.744 39.999 40.800 -0.095 0.000 0.954 247 D HN 0.303 nan 8.370 nan 0.000 0.455 248 R N -0.142 120.319 120.500 -0.064 0.000 2.362 248 R HA 0.063 4.402 4.340 -0.001 0.000 0.227 248 R C -0.121 176.186 176.300 0.012 0.000 0.905 248 R CA -0.235 55.876 56.100 0.018 0.000 1.067 248 R CB 0.419 30.735 30.300 0.027 0.000 1.078 248 R HN -0.053 nan 8.270 nan 0.000 0.516 249 E N 1.278 121.423 120.200 -0.092 0.000 2.297 249 E HA -0.222 4.127 4.350 -0.001 0.000 0.228 249 E C -0.978 175.688 176.600 0.110 0.000 1.213 249 E CA 0.781 57.144 56.400 -0.062 0.000 0.712 249 E CB -1.772 27.577 29.700 -0.585 0.000 1.202 249 E HN 0.369 nan 8.360 nan 0.000 0.376 250 N N 0.412 119.194 118.700 0.138 0.000 2.392 250 N HA 0.436 5.176 4.740 -0.001 0.000 0.283 250 N C -1.470 174.240 175.510 0.333 0.000 1.003 250 N CA -0.646 52.517 53.050 0.189 0.000 0.892 250 N CB 0.684 39.230 38.487 0.098 0.000 1.193 250 N HN 0.088 nan 8.380 nan 0.000 0.487 251 F N 4.767 124.833 119.950 0.193 0.000 2.402 251 F HA 0.560 5.087 4.527 -0.001 0.000 0.355 251 F C -1.630 174.275 175.800 0.175 0.000 1.123 251 F CA -1.178 56.966 58.000 0.239 0.000 1.021 251 F CB 0.787 39.921 39.000 0.223 0.000 1.160 251 F HN 0.408 nan 8.300 nan 0.000 0.451 252 L N 9.924 130.834 121.223 -0.522 0.000 2.294 252 L HA 0.604 4.943 4.340 -0.001 0.000 0.283 252 L C -2.404 174.065 176.870 -0.669 0.000 1.015 252 L CA -2.491 52.087 54.840 -0.437 0.000 0.831 252 L CB 0.895 42.850 42.059 -0.174 0.000 1.217 252 L HN 0.383 nan 8.230 nan 0.000 0.420 253 P HA -0.020 nan 4.420 nan 0.000 0.267 253 P C 0.036 177.254 177.300 -0.137 0.000 1.205 253 P CA 0.042 62.953 63.100 -0.315 0.000 0.765 253 P CB 0.942 32.610 31.700 -0.054 0.000 0.828 254 Q N 3.274 123.037 119.800 -0.061 0.000 2.135 254 Q HA -0.217 4.123 4.340 -0.001 0.000 0.204 254 Q C 1.173 177.177 176.000 0.007 0.000 0.981 254 Q CA 2.058 57.856 55.803 -0.009 0.000 0.856 254 Q CB -0.109 28.652 28.738 0.039 0.000 0.902 254 Q HN 0.551 nan 8.270 nan 0.000 0.425 255 N N -1.462 117.250 118.700 0.020 0.000 2.314 255 N HA 0.084 4.824 4.740 -0.001 0.000 0.200 255 N C 0.789 176.309 175.510 0.016 0.000 1.135 255 N CA 0.807 53.871 53.050 0.024 0.000 0.835 255 N CB 0.303 38.811 38.487 0.036 0.000 0.989 255 N HN 0.273 nan 8.380 nan 0.000 0.478 256 G N -0.184 108.617 108.800 0.002 0.000 2.186 256 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.266 256 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.266 256 G C -0.226 174.685 174.900 0.019 0.000 0.982 256 G CA 0.844 45.945 45.100 0.002 0.000 0.670 256 G HN 0.400 nan 8.290 nan 0.000 0.533 257 L N 0.388 121.632 121.223 0.035 0.000 2.360 257 L HA 0.629 4.968 4.340 -0.001 0.000 0.271 257 L C 0.583 177.500 176.870 0.078 0.000 1.057 257 L CA -0.753 54.116 54.840 0.047 0.000 0.803 257 L CB 1.714 43.800 42.059 0.045 0.000 1.207 257 L HN 0.077 nan 8.230 nan 0.000 0.445 258 S N 1.464 117.209 115.700 0.075 0.000 2.541 258 S HA 0.510 4.980 4.470 -0.001 0.000 0.283 258 S C -0.121 174.539 174.600 0.100 0.000 1.196 258 S CA -0.688 57.578 58.200 0.109 0.000 1.062 258 S CB 1.238 64.483 63.200 0.074 0.000 1.009 258 S HN 0.308 nan 8.310 nan 0.000 0.502 259 L N 2.407 123.722 121.223 0.154 0.000 2.514 259 L HA 0.108 4.448 4.340 -0.001 0.000 0.280 259 L C 1.479 178.366 176.870 0.029 0.000 1.223 259 L CA 0.166 55.075 54.840 0.115 0.000 0.864 259 L CB 0.205 42.402 42.059 0.230 0.000 1.118 259 L HN 0.927 nan 8.230 nan 0.000 0.494 260 T N -3.132 111.393 114.554 -0.048 0.000 3.041 260 T HA 0.222 4.571 4.350 -0.001 0.000 0.276 260 T C 1.042 175.643 174.700 -0.165 0.000 0.948 260 T CA 0.248 62.300 62.100 -0.081 0.000 0.885 260 T CB 0.681 69.518 68.868 -0.052 0.000 1.175 260 T HN 0.913 nan 8.240 nan 0.000 0.529 261 G N 1.984 110.469 108.800 -0.524 0.000 2.221 261 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.265 261 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.265 261 G C 0.121 174.661 174.900 -0.600 0.000 1.041 261 G CA 0.442 44.782 45.100 -1.268 0.000 0.807 261 G HN 1.351 nan 8.290 nan 0.000 0.502 262 S N -2.136 113.379 115.700 -0.309 0.000 2.759 262 S HA 0.739 5.209 4.470 -0.001 0.000 0.310 262 S C 1.474 176.159 174.600 0.141 0.000 1.123 262 S CA 0.634 58.835 58.200 0.001 0.000 0.959 262 S CB 1.362 64.567 63.200 0.009 0.000 1.172 262 S HN 1.219 nan 8.310 nan 0.000 0.539 263 T N -0.827 113.826 114.554 0.165 0.000 3.139 263 T HA -0.002 4.347 4.350 -0.001 0.000 0.267 263 T C 1.247 176.040 174.700 0.154 0.000 1.164 263 T CA 0.547 62.764 62.100 0.193 0.000 1.075 263 T CB -0.530 68.436 68.868 0.163 0.000 0.904 263 T HN 0.339 nan 8.240 nan 0.000 0.540 264 L N 1.059 122.347 121.223 0.108 0.000 2.270 264 L HA 0.311 4.650 4.340 -0.001 0.000 0.210 264 L C 0.500 177.420 176.870 0.083 0.000 1.104 264 L CA 0.880 55.764 54.840 0.074 0.000 0.804 264 L CB -0.348 41.736 42.059 0.041 0.000 0.937 264 L HN 0.290 nan 8.230 nan 0.000 0.450 265 D N -1.128 119.342 120.400 0.117 0.000 2.326 265 D HA 0.381 5.021 4.640 -0.001 0.000 0.251 265 D C -0.080 176.329 176.300 0.182 0.000 1.023 265 D CA -0.442 53.634 54.000 0.127 0.000 0.966 265 D CB 1.757 42.622 40.800 0.109 0.000 1.156 265 D HN -0.110 nan 8.370 nan 0.000 0.494 266 L N 0.720 121.919 121.223 -0.040 0.000 2.399 266 L HA 0.499 4.838 4.340 -0.001 0.000 0.265 266 L C 0.756 177.368 176.870 -0.431 0.000 1.089 266 L CA -0.544 54.147 54.840 -0.249 0.000 0.802 266 L CB 0.878 42.531 42.059 -0.678 0.000 1.180 266 L HN 0.080 nan 8.230 nan 0.000 0.454 267 R N 0.118 120.318 120.500 -0.500 0.000 2.867 267 R HA 0.298 4.637 4.340 -0.001 0.000 0.268 267 R C -0.267 175.822 176.300 -0.351 0.000 1.014 267 R CA -0.804 54.875 56.100 -0.701 0.000 0.946 267 R CB 1.443 30.961 30.300 -1.303 0.000 1.208 267 R HN 0.349 nan 8.270 nan 0.000 0.477 268 Y N -0.064 120.109 120.300 -0.211 0.000 2.184 268 Y HA -0.000 4.549 4.550 -0.001 0.000 0.290 268 Y C 0.822 176.391 175.900 -0.553 0.000 1.129 268 Y CA 1.155 59.135 58.100 -0.201 0.000 1.144 268 Y CB 0.386 38.723 38.460 -0.206 0.000 0.995 268 Y HN 0.419 nan 8.280 nan 0.000 0.513 269 D N -2.091 117.889 120.400 -0.700 0.000 2.879 269 D HA 0.115 4.755 4.640 -0.001 0.000 0.236 269 D C -1.152 174.667 176.300 -0.803 0.000 1.171 269 D CA -0.586 52.928 54.000 -0.809 0.000 0.868 269 D CB 1.242 41.205 40.800 -1.394 0.000 1.598 269 D HN 0.043 nan 8.370 nan 0.000 0.497 270 Y N 1.064 121.123 120.300 -0.401 0.000 2.532 270 Y HA 0.320 4.870 4.550 -0.001 0.000 0.283 270 Y C 1.331 176.959 175.900 -0.453 0.000 1.181 270 Y CA -0.278 57.588 58.100 -0.390 0.000 1.256 270 Y CB 1.202 39.499 38.460 -0.271 0.000 1.112 270 Y HN 0.382 nan 8.280 nan 0.000 0.521 271 G N -1.049 107.460 108.800 -0.484 0.000 3.247 271 G HA2 0.195 4.154 3.960 -0.001 0.000 0.163 271 G HA3 0.195 4.154 3.960 -0.001 0.000 0.163 271 G C -0.618 173.858 174.900 -0.707 0.000 1.206 271 G CA -0.532 44.007 45.100 -0.935 0.000 0.918 271 G HN -0.184 nan 8.290 nan 0.000 0.625 272 Q N 0.360 119.818 119.800 -0.569 0.000 2.369 272 Q HA 0.460 4.800 4.340 -0.001 0.000 0.247 272 Q C -1.820 174.129 176.000 -0.085 0.000 1.083 272 Q CA 0.021 55.643 55.803 -0.301 0.000 0.905 272 Q CB 0.683 29.259 28.738 -0.270 0.000 1.305 272 Q HN 0.311 nan 8.270 nan 0.000 0.465 273 F N 3.661 123.472 119.950 -0.231 0.000 2.749 273 F HA 0.324 4.851 4.527 -0.001 0.000 0.339 273 F C -1.985 173.829 175.800 0.024 0.000 1.211 273 F CA -0.781 57.141 58.000 -0.131 0.000 1.099 273 F CB 1.104 40.012 39.000 -0.152 0.000 1.359 273 F HN 0.398 nan 8.300 nan 0.000 0.549 274 Y N 3.897 124.087 120.300 -0.183 0.000 2.609 274 Y HA 0.559 5.109 4.550 -0.001 0.000 0.336 274 Y C 0.160 176.124 175.900 0.106 0.000 1.129 274 Y CA -0.533 57.572 58.100 0.008 0.000 1.040 274 Y CB 2.276 40.761 38.460 0.043 0.000 1.310 274 Y HN 0.992 nan 8.280 nan 0.000 0.460 275 A N 1.718 124.165 122.820 -0.621 0.000 2.832 275 A HA -0.176 4.144 4.320 -0.001 0.000 0.280 275 A C 0.307 177.840 177.584 -0.086 0.000 1.464 275 A CA 0.949 52.815 52.037 -0.285 0.000 0.804 275 A CB -2.552 16.472 19.000 0.039 0.000 1.020 275 A HN 1.515 nan 8.150 nan 0.000 0.563 276 S N -0.694 114.954 115.700 -0.086 0.000 2.568 276 S HA 0.505 4.974 4.470 -0.001 0.000 0.282 276 S C -0.140 174.529 174.600 0.113 0.000 1.338 276 S CA 0.584 58.781 58.200 -0.006 0.000 1.045 276 S CB 1.512 64.769 63.200 0.096 0.000 0.873 276 S HN 1.023 nan 8.310 nan 0.000 0.516 277 K N 0.788 121.278 120.400 0.150 0.000 2.525 277 K HA 0.447 4.766 4.320 -0.001 0.000 0.254 277 K C -1.031 175.719 176.600 0.250 0.000 0.934 277 K CA -0.498 55.914 56.287 0.208 0.000 0.802 277 K CB 1.957 34.572 32.500 0.192 0.000 1.295 277 K HN 0.919 nan 8.250 nan 0.000 0.433 278 S N 2.350 118.171 115.700 0.202 0.000 2.648 278 S HA 0.843 5.312 4.470 -0.001 0.000 0.305 278 S C -0.618 174.167 174.600 0.307 0.000 1.094 278 S CA -0.722 57.556 58.200 0.130 0.000 0.983 278 S CB 0.891 63.955 63.200 -0.227 0.000 1.101 278 S HN 0.546 nan 8.310 nan 0.000 0.514 279 F N -1.188 118.843 119.950 0.134 0.000 2.645 279 F HA 0.797 5.324 4.527 -0.001 0.000 0.310 279 F C -1.545 174.396 175.800 0.235 0.000 1.102 279 F CA -1.703 56.432 58.000 0.225 0.000 0.952 279 F CB 0.905 40.086 39.000 0.302 0.000 1.326 279 F HN 0.604 nan 8.300 nan 0.000 0.456 280 F N 2.735 122.797 119.950 0.186 0.000 2.404 280 F HA 0.424 4.950 4.527 -0.001 0.000 0.345 280 F C -0.382 175.526 175.800 0.180 0.000 1.110 280 F CA -0.680 57.349 58.000 0.050 0.000 1.130 280 F CB 0.910 39.984 39.000 0.124 0.000 1.129 280 F HN 0.633 nan 8.300 nan 0.000 0.500 281 D N 5.602 125.527 120.400 -0.792 0.000 2.473 281 D HA 0.081 4.720 4.640 -0.001 0.000 0.226 281 D C 0.547 176.260 176.300 -0.978 0.000 1.089 281 D CA -0.266 53.445 54.000 -0.481 0.000 0.883 281 D CB 0.547 41.226 40.800 -0.201 0.000 1.029 281 D HN 0.727 nan 8.370 nan 0.000 0.517 282 D N 2.526 122.478 120.400 -0.747 0.000 2.347 282 D HA -0.101 4.539 4.640 -0.001 0.000 0.215 282 D C 1.258 177.470 176.300 -0.147 0.000 0.976 282 D CA 0.132 53.877 54.000 -0.424 0.000 0.884 282 D CB 0.230 41.086 40.800 0.092 0.000 0.915 282 D HN 0.314 nan 8.370 nan 0.000 0.526 283 A N 0.954 123.697 122.820 -0.128 0.000 1.930 283 A HA -0.049 4.270 4.320 -0.001 0.000 0.215 283 A C 2.041 179.598 177.584 -0.045 0.000 1.176 283 A CA 0.766 52.770 52.037 -0.053 0.000 0.632 283 A CB -0.085 18.892 19.000 -0.038 0.000 0.819 283 A HN 0.136 nan 8.150 nan 0.000 0.445 284 K N -0.461 119.894 120.400 -0.075 0.000 2.438 284 K HA 0.124 4.444 4.320 -0.001 0.000 0.205 284 K C -0.598 175.955 176.600 -0.078 0.000 1.033 284 K CA -0.283 55.970 56.287 -0.058 0.000 1.089 284 K CB 0.348 32.828 32.500 -0.034 0.000 0.857 284 K HN 0.369 nan 8.250 nan 0.000 0.522 285 N N 2.858 121.489 118.700 -0.115 0.000 2.686 285 N HA -0.208 4.531 4.740 -0.001 0.000 0.261 285 N C -0.865 174.680 175.510 0.058 0.000 1.001 285 N CA 1.210 54.276 53.050 0.026 0.000 0.764 285 N CB -0.779 37.779 38.487 0.118 0.000 0.898 285 N HN 0.526 nan 8.380 nan 0.000 0.544 286 R N -1.278 119.167 120.500 -0.091 0.000 2.740 286 R HA 0.602 4.941 4.340 -0.001 0.000 0.273 286 R C -0.638 175.622 176.300 -0.067 0.000 0.998 286 R CA -1.098 54.990 56.100 -0.020 0.000 0.900 286 R CB 1.977 32.233 30.300 -0.073 0.000 1.223 286 R HN 0.117 nan 8.270 nan 0.000 0.466 287 R N 2.013 122.511 120.500 -0.002 0.000 2.294 287 R HA 0.425 4.764 4.340 -0.001 0.000 0.319 287 R C -1.192 174.938 176.300 -0.284 0.000 0.984 287 R CA -0.566 55.462 56.100 -0.120 0.000 0.861 287 R CB 1.639 31.881 30.300 -0.096 0.000 1.104 287 R HN 0.495 nan 8.270 nan 0.000 0.451 288 V N 5.888 125.466 119.914 -0.560 0.000 2.483 288 V HA 0.388 4.508 4.120 -0.001 0.000 0.295 288 V C -0.614 175.257 176.094 -0.372 0.000 1.035 288 V CA -0.903 61.066 62.300 -0.551 0.000 0.896 288 V CB 1.524 32.863 31.823 -0.806 0.000 0.986 288 V HN 0.628 nan 8.190 nan 0.000 0.447 289 L N 4.740 125.781 121.223 -0.302 0.000 2.333 289 L HA 0.646 4.985 4.340 -0.001 0.000 0.280 289 L C -1.284 175.487 176.870 -0.164 0.000 1.004 289 L CA -0.070 54.659 54.840 -0.185 0.000 0.820 289 L CB 1.412 43.312 42.059 -0.264 0.000 1.247 289 L HN 0.661 nan 8.230 nan 0.000 0.416 290 W N 4.482 125.771 121.300 -0.018 0.000 2.627 290 W HA 0.829 5.489 4.660 -0.001 0.000 0.339 290 W C -0.423 176.010 176.519 -0.144 0.000 1.058 290 W CA -0.506 56.813 57.345 -0.043 0.000 1.223 290 W CB 2.205 31.723 29.460 0.097 0.000 1.389 290 W HN 0.737 nan 8.180 nan 0.000 0.541 291 A N 2.161 125.003 122.820 0.037 0.000 2.547 291 A HA 0.513 4.832 4.320 -0.001 0.000 0.297 291 A C -2.217 175.298 177.584 -0.116 0.000 1.056 291 A CA -0.768 51.069 52.037 -0.335 0.000 0.688 291 A CB 0.544 18.615 19.000 -1.549 0.000 1.282 291 A HN 0.656 nan 8.150 nan 0.000 0.400 292 W N 2.820 123.993 121.300 -0.212 0.000 2.272 292 W HA 0.545 5.205 4.660 -0.001 0.000 0.318 292 W C -1.265 175.181 176.519 -0.121 0.000 1.255 292 W CA -0.357 56.927 57.345 -0.103 0.000 1.200 292 W CB 1.052 30.488 29.460 -0.041 0.000 1.170 292 W HN 0.420 nan 8.180 nan 0.000 0.549 293 V N 9.815 129.469 119.914 -0.434 0.000 2.304 293 V HA 0.248 4.367 4.120 -0.001 0.000 0.278 293 V C -1.820 173.808 176.094 -0.777 0.000 1.018 293 V CA -1.997 59.983 62.300 -0.534 0.000 0.814 293 V CB 0.857 32.555 31.823 -0.209 0.000 1.021 293 V HN 0.473 nan 8.190 nan 0.000 0.440 294 P HA 0.112 nan 4.420 nan 0.000 0.270 294 P C -0.101 177.027 177.300 -0.286 0.000 1.227 294 P CA -0.156 62.436 63.100 -0.846 0.000 0.788 294 P CB 0.628 31.771 31.700 -0.928 0.000 0.926 295 E N 0.072 120.213 120.200 -0.097 0.000 2.349 295 E HA 0.168 4.517 4.350 -0.001 0.000 0.265 295 E C 0.603 177.209 176.600 0.009 0.000 1.064 295 E CA 0.263 56.671 56.400 0.013 0.000 0.886 295 E CB 0.404 30.093 29.700 -0.017 0.000 1.036 295 E HN 0.455 nan 8.360 nan 0.000 0.413 296 T N -2.695 111.920 114.554 0.103 0.000 3.091 296 T HA 0.072 4.421 4.350 -0.001 0.000 0.277 296 T C 0.132 174.761 174.700 -0.120 0.000 0.996 296 T CA -0.579 61.555 62.100 0.056 0.000 0.897 296 T CB 0.008 68.968 68.868 0.155 0.000 1.109 296 T HN 0.354 nan 8.240 nan 0.000 0.534 297 D N 1.912 122.050 120.400 -0.436 0.000 2.506 297 D HA 0.434 5.073 4.640 -0.001 0.000 0.272 297 D C 0.323 176.423 176.300 -0.333 0.000 1.214 297 D CA -0.565 53.035 54.000 -0.666 0.000 1.067 297 D CB 0.754 40.784 40.800 -1.282 0.000 1.117 297 D HN 0.234 nan 8.370 nan 0.000 0.578 298 S N -1.771 113.761 115.700 -0.281 0.000 2.632 298 S HA 0.063 4.533 4.470 -0.001 0.000 0.267 298 S C 1.108 175.633 174.600 -0.125 0.000 1.276 298 S CA -0.368 57.737 58.200 -0.157 0.000 0.998 298 S CB 1.404 64.529 63.200 -0.125 0.000 0.953 298 S HN 0.643 nan 8.310 nan 0.000 0.547 299 Q N 1.200 120.965 119.800 -0.059 0.000 2.124 299 Q HA -0.133 4.206 4.340 -0.001 0.000 0.202 299 Q C 2.137 178.110 176.000 -0.045 0.000 0.977 299 Q CA 1.652 57.442 55.803 -0.021 0.000 0.850 299 Q CB -0.783 27.957 28.738 0.003 0.000 0.901 299 Q HN 0.952 nan 8.270 nan 0.000 0.429 300 A N 1.033 123.818 122.820 -0.058 0.000 1.933 300 A HA -0.222 4.098 4.320 -0.001 0.000 0.218 300 A C 1.687 179.220 177.584 -0.084 0.000 1.175 300 A CA 1.741 53.744 52.037 -0.058 0.000 0.628 300 A CB -0.573 18.396 19.000 -0.052 0.000 0.814 300 A HN 0.501 nan 8.150 nan 0.000 0.444 301 D N 0.364 120.686 120.400 -0.130 0.000 2.117 301 D HA -0.132 4.508 4.640 -0.001 0.000 0.197 301 D C 1.281 177.458 176.300 -0.205 0.000 0.987 301 D CA 1.451 55.343 54.000 -0.181 0.000 0.829 301 D CB -0.401 40.225 40.800 -0.290 0.000 0.961 301 D HN 0.408 nan 8.370 nan 0.000 0.460 302 D N 0.699 120.980 120.400 -0.199 0.000 2.097 302 D HA -0.094 4.546 4.640 -0.001 0.000 0.195 302 D C 2.363 178.592 176.300 -0.119 0.000 0.989 302 D CA 0.432 54.309 54.000 -0.204 0.000 0.827 302 D CB -0.332 40.425 40.800 -0.072 0.000 0.966 302 D HN 0.281 nan 8.370 nan 0.000 0.456 303 I N 0.984 121.522 120.570 -0.054 0.000 2.226 303 I HA -0.206 3.963 4.170 -0.001 0.000 0.245 303 I C 2.504 178.606 176.117 -0.025 0.000 1.100 303 I CA 0.950 62.239 61.300 -0.018 0.000 1.374 303 I CB -0.130 37.864 38.000 -0.011 0.000 1.057 303 I HN -0.044 nan 8.210 nan 0.000 0.413 304 E N 2.114 122.285 120.200 -0.047 0.000 2.047 304 E HA -0.245 4.105 4.350 -0.001 0.000 0.191 304 E C 2.027 178.613 176.600 -0.024 0.000 0.987 304 E CA 1.587 57.968 56.400 -0.031 0.000 0.799 304 E CB -0.013 29.665 29.700 -0.037 0.000 0.752 304 E HN 0.590 nan 8.360 nan 0.000 0.449 305 K N -1.111 119.241 120.400 -0.080 0.000 2.432 305 K HA 0.054 4.374 4.320 -0.001 0.000 0.196 305 K C 1.261 177.866 176.600 0.008 0.000 1.038 305 K CA 0.975 57.225 56.287 -0.062 0.000 0.986 305 K CB 0.087 32.473 32.500 -0.190 0.000 0.782 305 K HN 0.166 nan 8.250 nan 0.000 0.485 306 G N 1.205 110.002 108.800 -0.004 0.000 2.159 306 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.256 306 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.256 306 G C -0.306 174.741 174.900 0.245 0.000 0.977 306 G CA 0.445 45.618 45.100 0.122 0.000 0.652 306 G HN 0.540 nan 8.290 nan 0.000 0.531 307 W N -1.854 119.487 121.300 0.068 0.000 3.066 307 W HA 0.786 5.446 4.660 -0.001 0.000 0.330 307 W C -0.633 175.939 176.519 0.089 0.000 1.253 307 W CA -1.386 56.004 57.345 0.074 0.000 1.187 307 W CB 1.045 30.518 29.460 0.021 0.000 1.434 307 W HN 1.240 nan 8.180 nan 0.000 0.572 308 A N 1.551 124.589 122.820 0.365 0.000 2.513 308 A HA 0.772 5.091 4.320 -0.001 0.000 0.296 308 A C -0.221 177.436 177.584 0.121 0.000 1.052 308 A CA 0.066 52.199 52.037 0.159 0.000 0.714 308 A CB 0.745 19.852 19.000 0.178 0.000 1.279 308 A HN 2.466 nan 8.150 nan 0.000 0.397 309 G N -0.010 108.895 108.800 0.174 0.000 2.911 309 G HA2 0.407 4.367 3.960 -0.001 0.000 0.686 309 G HA3 0.407 4.367 3.960 -0.001 0.000 0.686 309 G C -1.216 173.809 174.900 0.209 0.000 1.136 309 G CA -0.343 44.871 45.100 0.190 0.000 0.764 309 G HN 1.367 nan 8.290 nan 0.000 0.626 310 L N 1.333 122.664 121.223 0.179 0.000 2.341 310 L HA 0.700 5.039 4.340 -0.001 0.000 0.254 310 L C -0.314 176.659 176.870 0.171 0.000 1.040 310 L CA -1.285 53.615 54.840 0.100 0.000 0.837 310 L CB 2.202 44.275 42.059 0.024 0.000 1.425 310 L HN 0.545 nan 8.230 nan 0.000 0.414 311 Q N 0.684 120.598 119.800 0.190 0.000 2.309 311 Q HA 0.419 4.758 4.340 -0.001 0.000 0.264 311 Q C -0.567 175.604 176.000 0.285 0.000 1.008 311 Q CA -0.471 55.477 55.803 0.242 0.000 0.853 311 Q CB 2.264 31.137 28.738 0.226 0.000 1.314 311 Q HN 0.746 nan 8.270 nan 0.000 0.448 312 S N 0.849 116.681 115.700 0.219 0.000 2.589 312 S HA 0.343 4.812 4.470 -0.001 0.000 0.265 312 S C 0.061 174.809 174.600 0.247 0.000 1.342 312 S CA -0.592 57.780 58.200 0.286 0.000 1.005 312 S CB 0.375 63.714 63.200 0.231 0.000 0.909 312 S HN 0.463 nan 8.310 nan 0.000 0.555 313 F N 2.340 122.344 119.950 0.090 0.000 2.484 313 F HA 0.385 4.911 4.527 -0.001 0.000 0.360 313 F C -2.326 173.322 175.800 -0.254 0.000 1.101 313 F CA -2.083 55.825 58.000 -0.153 0.000 1.251 313 F CB 0.037 38.924 39.000 -0.188 0.000 1.132 313 F HN 0.368 nan 8.300 nan 0.000 0.570 314 P HA -0.027 nan 4.420 nan 0.000 0.258 314 P C -1.268 175.688 177.300 -0.573 0.000 1.172 314 P CA 0.504 62.909 63.100 -1.158 0.000 0.762 314 P CB 0.157 30.978 31.700 -1.465 0.000 0.764 315 R N 2.580 122.881 120.500 -0.331 0.000 2.670 315 R HA 0.811 5.151 4.340 -0.001 0.000 0.289 315 R C -0.562 175.665 176.300 -0.122 0.000 0.965 315 R CA -1.247 54.777 56.100 -0.126 0.000 0.899 315 R CB 1.427 31.751 30.300 0.039 0.000 1.173 315 R HN 0.300 nan 8.270 nan 0.000 0.456 316 A N 2.642 125.468 122.820 0.010 0.000 2.407 316 A HA 0.428 4.747 4.320 -0.001 0.000 0.248 316 A C -0.562 177.105 177.584 0.138 0.000 1.082 316 A CA -0.473 51.628 52.037 0.107 0.000 0.785 316 A CB 0.437 19.615 19.000 0.298 0.000 1.020 316 A HN 0.629 nan 8.150 nan 0.000 0.489 317 L N 2.341 123.645 121.223 0.135 0.000 2.410 317 L HA 0.884 5.224 4.340 -0.001 0.000 0.270 317 L C -1.062 175.955 176.870 0.246 0.000 0.983 317 L CA -0.173 54.684 54.840 0.028 0.000 0.822 317 L CB 1.495 43.485 42.059 -0.114 0.000 1.285 317 L HN 0.962 nan 8.230 nan 0.000 0.409 318 W N 3.906 125.217 121.300 0.019 0.000 3.005 318 W HA 0.637 5.297 4.660 0.000 0.000 0.343 318 W C -1.964 174.585 176.519 0.051 0.000 1.243 318 W CA -1.167 56.195 57.345 0.029 0.000 1.186 318 W CB 0.397 29.865 29.460 0.013 0.000 1.453 318 W HN 0.620 nan 8.180 nan 0.000 0.575 319 I N 2.930 123.678 120.570 0.296 0.000 2.396 319 I HA 0.114 4.283 4.170 -0.001 0.000 0.292 319 I C 0.494 176.762 176.117 0.252 0.000 0.999 319 I CA -0.318 61.090 61.300 0.180 0.000 1.310 319 I CB 0.663 38.757 38.000 0.156 0.000 1.404 319 I HN 0.550 nan 8.210 nan 0.000 0.496 320 D N 6.498 126.986 120.400 0.147 0.000 2.400 320 D HA -0.030 4.609 4.640 -0.001 0.000 0.238 320 D C 1.191 177.587 176.300 0.159 0.000 1.157 320 D CA -0.175 53.923 54.000 0.163 0.000 0.889 320 D CB 0.985 41.848 40.800 0.106 0.000 1.199 320 D HN 0.647 nan 8.370 nan 0.000 0.436 321 R N 2.443 123.031 120.500 0.147 0.000 2.159 321 R HA -0.201 4.138 4.340 -0.001 0.000 0.237 321 R C 1.333 177.684 176.300 0.085 0.000 1.131 321 R CA 1.469 57.632 56.100 0.105 0.000 0.982 321 R CB -0.629 29.720 30.300 0.082 0.000 0.868 321 R HN 0.431 nan 8.270 nan 0.000 0.453 322 N N 0.997 119.748 118.700 0.085 0.000 2.515 322 N HA -0.047 4.692 4.740 -0.001 0.000 0.185 322 N C 1.182 176.739 175.510 0.079 0.000 1.109 322 N CA 1.129 54.223 53.050 0.074 0.000 0.903 322 N CB 0.024 38.553 38.487 0.070 0.000 0.969 322 N HN 0.498 nan 8.380 nan 0.000 0.450 323 G N 0.894 109.750 108.800 0.093 0.000 2.166 323 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.260 323 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.260 323 G C 0.796 175.758 174.900 0.104 0.000 0.986 323 G CA 0.835 45.994 45.100 0.098 0.000 0.683 323 G HN 0.539 nan 8.290 nan 0.000 0.527 324 K N -0.422 120.041 120.400 0.105 0.000 2.353 324 K HA 0.219 4.539 4.320 -0.001 0.000 0.195 324 K C 1.078 177.765 176.600 0.145 0.000 1.031 324 K CA 0.993 57.346 56.287 0.110 0.000 1.079 324 K CB 0.373 32.925 32.500 0.087 0.000 0.857 324 K HN 0.812 nan 8.250 nan 0.000 0.535 325 Q N -0.596 119.302 119.800 0.164 0.000 2.630 325 Q HA 0.377 4.716 4.340 -0.001 0.000 0.295 325 Q C -1.459 174.653 176.000 0.186 0.000 0.944 325 Q CA -1.076 54.866 55.803 0.231 0.000 0.766 325 Q CB 0.856 29.715 28.738 0.201 0.000 1.471 325 Q HN -0.211 nan 8.270 nan 0.000 0.416 326 L N 1.023 122.375 121.223 0.215 0.000 2.375 326 L HA 0.552 4.892 4.340 -0.001 0.000 0.268 326 L C -0.552 176.268 176.870 -0.083 0.000 1.058 326 L CA -0.707 54.140 54.840 0.012 0.000 0.803 326 L CB 1.471 43.458 42.059 -0.120 0.000 1.212 326 L HN 0.641 nan 8.230 nan 0.000 0.451 327 I N 1.460 121.803 120.570 -0.379 0.000 2.569 327 I HA 0.466 4.636 4.170 -0.001 0.000 0.296 327 I C -0.380 175.299 176.117 -0.730 0.000 1.028 327 I CA -0.622 60.318 61.300 -0.601 0.000 1.082 327 I CB 1.862 39.212 38.000 -1.084 0.000 1.264 327 I HN 0.590 nan 8.210 nan 0.000 0.429 328 Q N 4.522 124.107 119.800 -0.358 0.000 2.394 328 Q HA 0.563 4.903 4.340 -0.001 0.000 0.273 328 Q C -1.590 174.484 176.000 0.123 0.000 1.089 328 Q CA -0.650 55.066 55.803 -0.145 0.000 0.812 328 Q CB 3.459 32.233 28.738 0.061 0.000 1.353 328 Q HN 0.646 nan 8.270 nan 0.000 0.438 329 W N 2.374 123.565 121.300 -0.181 0.000 3.573 329 W HA 0.315 4.975 4.660 -0.000 0.000 0.306 329 W C -3.013 173.387 176.519 -0.197 0.000 1.227 329 W CA -1.869 55.316 57.345 -0.266 0.000 1.212 329 W CB 1.788 31.259 29.460 0.017 0.000 1.331 329 W HN 0.436 nan 8.180 nan 0.000 0.524 330 P HA -0.068 nan 4.420 nan 0.000 0.265 330 P C 0.072 177.336 177.300 -0.060 0.000 1.193 330 P CA 0.276 63.227 63.100 -0.248 0.000 0.765 330 P CB 0.479 31.894 31.700 -0.476 0.000 0.823 331 V N 1.762 121.704 119.914 0.047 0.000 2.788 331 V HA -0.053 4.066 4.120 -0.001 0.000 0.307 331 V C 1.668 177.778 176.094 0.027 0.000 1.069 331 V CA 0.113 62.412 62.300 -0.001 0.000 1.173 331 V CB -0.130 31.600 31.823 -0.155 0.000 0.925 331 V HN 0.768 nan 8.190 nan 0.000 0.492 332 E N 1.608 121.810 120.200 0.003 0.000 2.219 332 E HA -0.313 4.036 4.350 -0.001 0.000 0.198 332 E C 1.409 177.968 176.600 -0.068 0.000 0.998 332 E CA 1.922 58.305 56.400 -0.029 0.000 0.818 332 E CB -0.217 29.470 29.700 -0.023 0.000 0.741 332 E HN 0.876 nan 8.360 nan 0.000 0.477 333 E N 0.900 121.069 120.200 -0.053 0.000 2.267 333 E HA -0.100 4.249 4.350 -0.001 0.000 0.197 333 E C 1.864 178.423 176.600 -0.068 0.000 0.998 333 E CA 0.869 57.230 56.400 -0.065 0.000 0.830 333 E CB -0.250 29.403 29.700 -0.078 0.000 0.751 333 E HN 0.457 nan 8.360 nan 0.000 0.491 334 I N 0.724 121.265 120.570 -0.049 0.000 2.493 334 I HA -0.259 3.910 4.170 -0.001 0.000 0.254 334 I C 1.434 177.342 176.117 -0.349 0.000 1.160 334 I CA 1.139 62.295 61.300 -0.240 0.000 1.445 334 I CB 0.067 37.709 38.000 -0.596 0.000 1.086 334 I HN 0.114 nan 8.210 nan 0.000 0.433 335 E N 0.264 120.281 120.200 -0.306 0.000 2.331 335 E HA -0.291 4.059 4.350 -0.001 0.000 0.199 335 E C 1.650 178.052 176.600 -0.331 0.000 1.008 335 E CA 0.824 56.999 56.400 -0.375 0.000 0.843 335 E CB 0.019 29.527 29.700 -0.320 0.000 0.761 335 E HN 0.382 nan 8.360 nan 0.000 0.507 336 E N 0.330 120.387 120.200 -0.239 0.000 2.418 336 E HA -0.062 4.287 4.350 -0.001 0.000 0.197 336 E C 1.391 177.877 176.600 -0.190 0.000 1.026 336 E CA 0.441 56.729 56.400 -0.187 0.000 0.862 336 E CB 0.125 29.743 29.700 -0.136 0.000 0.799 336 E HN 0.253 nan 8.360 nan 0.000 0.518 337 L N -0.041 121.035 121.223 -0.246 0.000 2.509 337 L HA 0.150 4.490 4.340 -0.001 0.000 0.222 337 L C 0.590 177.327 176.870 -0.222 0.000 1.123 337 L CA -0.013 54.688 54.840 -0.232 0.000 0.856 337 L CB -0.008 41.856 42.059 -0.325 0.000 0.985 337 L HN -0.118 nan 8.230 nan 0.000 0.456 338 R N 0.835 121.162 120.500 -0.288 0.000 2.484 338 R HA 0.007 4.346 4.340 -0.001 0.000 0.293 338 R C 0.429 176.684 176.300 -0.076 0.000 1.023 338 R CA -0.065 55.881 56.100 -0.256 0.000 1.037 338 R CB 0.642 30.540 30.300 -0.670 0.000 0.951 338 R HN 0.182 nan 8.270 nan 0.000 0.418 339 Q N 1.914 121.747 119.800 0.055 0.000 3.035 339 Q HA 0.092 4.432 4.340 -0.001 0.000 0.252 339 Q C 0.315 176.411 176.000 0.160 0.000 1.158 339 Q CA 0.031 55.880 55.803 0.076 0.000 0.345 339 Q CB -0.343 28.425 28.738 0.050 0.000 5.642 339 Q HN 0.651 nan 8.270 nan 0.000 0.331 340 N N 1.212 119.984 118.700 0.121 0.000 2.503 340 N HA 0.022 4.761 4.740 -0.001 0.000 0.267 340 N C -0.569 174.989 175.510 0.080 0.000 1.214 340 N CA 0.031 53.136 53.050 0.092 0.000 0.959 340 N CB 1.631 40.138 38.487 0.033 0.000 1.142 340 N HN 0.255 nan 8.380 nan 0.000 0.455 341 Q N 0.656 120.434 119.800 -0.037 0.000 2.365 341 Q HA 0.500 4.839 4.340 -0.001 0.000 0.269 341 Q C -1.758 174.088 176.000 -0.257 0.000 1.061 341 Q CA -0.893 54.721 55.803 -0.316 0.000 0.816 341 Q CB 1.861 30.312 28.738 -0.477 0.000 1.325 341 Q HN 0.499 nan 8.270 nan 0.000 0.446 342 V N 3.513 123.237 119.914 -0.317 0.000 2.487 342 V HA 0.463 4.583 4.120 -0.001 0.000 0.298 342 V C -0.828 175.109 176.094 -0.261 0.000 1.028 342 V CA -0.767 61.407 62.300 -0.210 0.000 0.860 342 V CB 1.834 33.573 31.823 -0.140 0.000 0.991 342 V HN 0.824 nan 8.190 nan 0.000 0.427 343 N N 3.520 122.103 118.700 -0.195 0.000 2.240 343 N HA 0.804 5.544 4.740 -0.001 0.000 0.302 343 N C -1.601 173.839 175.510 -0.117 0.000 1.106 343 N CA -0.551 52.386 53.050 -0.187 0.000 0.778 343 N CB 1.802 40.178 38.487 -0.185 0.000 1.431 343 N HN 0.600 nan 8.380 nan 0.000 0.479 344 L N 1.480 122.639 121.223 -0.107 0.000 2.388 344 L HA 0.564 4.904 4.340 -0.001 0.000 0.264 344 L C -0.820 176.006 176.870 -0.074 0.000 0.998 344 L CA -0.725 54.071 54.840 -0.074 0.000 0.817 344 L CB 2.288 44.311 42.059 -0.060 0.000 1.338 344 L HN 0.497 nan 8.230 nan 0.000 0.414 345 Q N 1.085 120.851 119.800 -0.057 0.000 2.377 345 Q HA 0.251 4.591 4.340 -0.001 0.000 0.279 345 Q C -0.705 175.269 176.000 -0.042 0.000 1.049 345 Q CA -0.957 54.814 55.803 -0.054 0.000 0.825 345 Q CB 2.394 31.103 28.738 -0.048 0.000 1.401 345 Q HN 0.622 nan 8.270 nan 0.000 0.404 346 N N 1.428 120.102 118.700 -0.043 0.000 2.705 346 N HA -0.218 4.521 4.740 -0.001 0.000 0.255 346 N C -1.598 173.895 175.510 -0.028 0.000 1.008 346 N CA 0.845 53.875 53.050 -0.035 0.000 0.742 346 N CB -0.266 38.204 38.487 -0.029 0.000 0.906 346 N HN 0.361 nan 8.380 nan 0.000 0.541 347 K N 0.916 121.299 120.400 -0.028 0.000 2.307 347 K HA 0.414 4.734 4.320 -0.001 0.000 0.263 347 K C -0.710 175.887 176.600 -0.006 0.000 0.973 347 K CA -0.767 55.511 56.287 -0.014 0.000 0.846 347 K CB 0.556 33.050 32.500 -0.009 0.000 1.100 347 K HN 0.182 nan 8.250 nan 0.000 0.438 348 N N 4.205 122.904 118.700 -0.003 0.000 2.529 348 N HA 0.237 4.976 4.740 -0.001 0.000 0.278 348 N C -0.830 174.687 175.510 0.012 0.000 1.146 348 N CA -0.126 52.922 53.050 -0.004 0.000 0.980 348 N CB 0.753 39.234 38.487 -0.011 0.000 1.124 348 N HN 0.500 nan 8.380 nan 0.000 0.458 349 L N 3.039 124.268 121.223 0.009 0.000 2.324 349 L HA 0.331 4.670 4.340 -0.001 0.000 0.274 349 L C 0.601 177.470 176.870 -0.002 0.000 1.012 349 L CA -0.622 54.233 54.840 0.024 0.000 0.859 349 L CB 1.084 43.171 42.059 0.047 0.000 1.224 349 L HN 0.239 nan 8.230 nan 0.000 0.429 350 K N 3.128 123.533 120.400 0.008 0.000 2.276 350 K HA 0.232 4.552 4.320 -0.001 0.000 0.259 350 K C -2.324 174.276 176.600 0.001 0.000 1.001 350 K CA -1.650 54.637 56.287 -0.000 0.000 0.927 350 K CB 0.215 32.719 32.500 0.006 0.000 0.969 350 K HN 0.182 nan 8.250 nan 0.000 0.490 351 P HA -0.083 nan 4.420 nan 0.000 0.262 351 P C 0.293 177.600 177.300 0.011 0.000 1.182 351 P CA 0.958 64.056 63.100 -0.003 0.000 0.761 351 P CB 0.348 32.043 31.700 -0.008 0.000 0.795 352 G N 1.921 110.735 108.800 0.024 0.000 2.160 352 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.251 352 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.251 352 G C 0.259 175.187 174.900 0.047 0.000 1.008 352 G CA 0.318 45.439 45.100 0.035 0.000 0.724 352 G HN 0.764 nan 8.290 nan 0.000 0.514 353 S N -1.499 114.240 115.700 0.065 0.000 2.654 353 S HA 0.824 5.294 4.470 -0.001 0.000 0.283 353 S C -0.301 174.376 174.600 0.128 0.000 1.180 353 S CA -0.460 57.785 58.200 0.075 0.000 1.021 353 S CB 3.082 66.321 63.200 0.065 0.000 1.018 353 S HN 1.039 nan 8.310 nan 0.000 0.532 354 V N 2.401 122.382 119.914 0.113 0.000 2.525 354 V HA 0.521 4.640 4.120 -0.001 0.000 0.299 354 V C -1.156 175.059 176.094 0.201 0.000 1.034 354 V CA -0.655 61.735 62.300 0.149 0.000 0.863 354 V CB 1.391 33.205 31.823 -0.016 0.000 0.999 354 V HN 0.894 nan 8.190 nan 0.000 0.423 355 L N 4.331 125.719 121.223 0.275 0.000 2.319 355 L HA 0.602 4.941 4.340 -0.001 0.000 0.281 355 L C -0.036 177.004 176.870 0.284 0.000 1.005 355 L CA 0.043 55.029 54.840 0.244 0.000 0.828 355 L CB 1.539 43.699 42.059 0.169 0.000 1.227 355 L HN 0.803 nan 8.230 nan 0.000 0.415 356 E N 4.605 124.934 120.200 0.215 0.000 2.313 356 E HA 0.322 4.671 4.350 -0.001 0.000 0.276 356 E C -0.940 175.500 176.600 -0.267 0.000 1.031 356 E CA -0.388 55.900 56.400 -0.188 0.000 0.857 356 E CB 0.837 30.293 29.700 -0.408 0.000 1.040 356 E HN 0.667 nan 8.360 nan 0.000 0.408 357 I N 5.422 125.767 120.570 -0.376 0.000 2.312 357 I HA 0.180 4.350 4.170 -0.001 0.000 0.290 357 I C 0.149 176.061 176.117 -0.342 0.000 1.008 357 I CA -0.552 60.609 61.300 -0.232 0.000 1.226 357 I CB 0.583 38.496 38.000 -0.145 0.000 1.371 357 I HN 0.469 nan 8.210 nan 0.000 0.468 358 H N 4.276 123.285 119.070 -0.101 0.000 2.496 358 H HA 0.318 4.873 4.556 -0.001 0.000 0.342 358 H C 1.023 176.300 175.328 -0.084 0.000 1.170 358 H CA 0.345 56.338 56.048 -0.092 0.000 1.274 358 H CB 1.928 31.653 29.762 -0.061 0.000 1.538 358 H HN 0.874 nan 8.280 nan 0.000 0.542 359 G N 1.323 110.153 108.800 0.049 0.000 2.176 359 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.253 359 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.253 359 G C -0.018 174.865 174.900 -0.029 0.000 0.979 359 G CA -0.120 44.982 45.100 0.003 0.000 0.641 359 G HN 0.394 nan 8.290 nan 0.000 0.530 360 I N 0.852 121.388 120.570 -0.056 0.000 2.562 360 I HA 0.662 4.831 4.170 -0.001 0.000 0.301 360 I C 0.872 176.954 176.117 -0.057 0.000 1.003 360 I CA -0.939 60.330 61.300 -0.051 0.000 1.127 360 I CB 1.590 39.552 38.000 -0.063 0.000 1.304 360 I HN 0.300 nan 8.210 nan 0.000 0.446 361 A N 4.481 127.286 122.820 -0.025 0.000 2.797 361 A HA 0.441 4.760 4.320 -0.001 0.000 0.296 361 A C 1.371 178.934 177.584 -0.035 0.000 1.580 361 A CA 0.168 52.190 52.037 -0.025 0.000 1.277 361 A CB -0.362 18.646 19.000 0.014 0.000 1.101 361 A HN 0.918 nan 8.150 nan 0.000 0.562 362 A N 1.715 124.489 122.820 -0.076 0.000 2.084 362 A HA -0.101 4.219 4.320 -0.001 0.000 0.221 362 A C 2.182 179.739 177.584 -0.045 0.000 1.161 362 A CA 2.247 54.244 52.037 -0.066 0.000 0.653 362 A CB -0.230 18.702 19.000 -0.114 0.000 0.802 362 A HN 0.652 nan 8.150 nan 0.000 0.457 363 S N -1.987 113.654 115.700 -0.098 0.000 2.524 363 S HA 0.113 4.582 4.470 -0.001 0.000 0.216 363 S C 0.806 175.251 174.600 -0.258 0.000 0.987 363 S CA 0.261 58.313 58.200 -0.246 0.000 0.909 363 S CB 0.150 63.076 63.200 -0.458 0.000 0.781 363 S HN 0.691 nan 8.310 nan 0.000 0.521 364 Q N 0.448 120.223 119.800 -0.042 0.000 3.255 364 Q HA 0.619 4.959 4.340 -0.001 0.000 0.231 364 Q C -1.259 174.848 176.000 0.178 0.000 0.935 364 Q CA -0.333 55.570 55.803 0.168 0.000 0.714 364 Q CB 0.994 29.880 28.738 0.247 0.000 1.345 364 Q HN 0.338 nan 8.270 nan 0.000 0.463 365 A N 1.705 124.635 122.820 0.183 0.000 2.593 365 A HA 0.683 5.003 4.320 -0.001 0.000 0.290 365 A C -1.788 175.871 177.584 0.124 0.000 1.126 365 A CA -0.641 51.469 52.037 0.121 0.000 0.695 365 A CB 1.949 20.999 19.000 0.083 0.000 1.290 365 A HN 0.452 nan 8.150 nan 0.000 0.414 366 D N 0.738 121.208 120.400 0.117 0.000 2.462 366 D HA 0.528 5.168 4.640 -0.001 0.000 0.245 366 D C -1.431 174.999 176.300 0.216 0.000 1.122 366 D CA 0.049 54.120 54.000 0.118 0.000 0.864 366 D CB 1.461 42.281 40.800 0.033 0.000 1.098 366 D HN 0.242 nan 8.370 nan 0.000 0.541 367 V N 3.275 123.284 119.914 0.158 0.000 2.448 367 V HA 0.548 4.668 4.120 -0.001 0.000 0.295 367 V C 0.271 176.455 176.094 0.151 0.000 1.025 367 V CA -0.566 61.813 62.300 0.132 0.000 0.859 367 V CB 1.960 33.841 31.823 0.096 0.000 0.988 367 V HN 0.528 nan 8.190 nan 0.000 0.431 368 T N 6.128 120.764 114.554 0.136 0.000 2.841 368 T HA 0.743 5.092 4.350 -0.001 0.000 0.283 368 T C -0.723 174.017 174.700 0.065 0.000 1.000 368 T CA -0.258 61.935 62.100 0.156 0.000 0.977 368 T CB 1.655 70.659 68.868 0.226 0.000 0.979 368 T HN 0.605 nan 8.240 nan 0.000 0.446 369 I N 1.318 121.923 120.570 0.058 0.000 2.802 369 I HA 0.689 4.859 4.170 -0.001 0.000 0.298 369 I C -1.216 174.808 176.117 -0.155 0.000 1.176 369 I CA -0.428 60.807 61.300 -0.108 0.000 1.025 369 I CB 2.131 40.021 38.000 -0.182 0.000 1.243 369 I HN 0.599 nan 8.210 nan 0.000 0.424 370 S N 5.430 120.946 115.700 -0.306 0.000 2.557 370 S HA 0.687 5.157 4.470 -0.001 0.000 0.291 370 S C -1.345 173.028 174.600 -0.378 0.000 1.116 370 S CA -0.366 57.707 58.200 -0.211 0.000 0.992 370 S CB 0.794 63.946 63.200 -0.079 0.000 1.028 370 S HN 0.369 nan 8.310 nan 0.000 0.484 371 F N 3.025 122.981 119.950 0.009 0.000 2.443 371 F HA 0.526 5.053 4.527 -0.001 0.000 0.335 371 F C 0.480 176.208 175.800 -0.120 0.000 1.104 371 F CA -0.733 57.222 58.000 -0.075 0.000 1.013 371 F CB 1.463 40.401 39.000 -0.105 0.000 1.136 371 F HN 0.358 nan 8.300 nan 0.000 0.470 372 K N 4.696 125.116 120.400 0.033 0.000 2.293 372 K HA 0.514 4.833 4.320 -0.001 0.000 0.267 372 K C -1.188 175.359 176.600 -0.087 0.000 1.010 372 K CA -0.421 55.847 56.287 -0.032 0.000 0.875 372 K CB 0.728 33.204 32.500 -0.040 0.000 1.106 372 K HN 0.681 nan 8.250 nan 0.000 0.450 373 L N 3.419 124.575 121.223 -0.113 0.000 2.371 373 L HA 0.279 4.618 4.340 -0.001 0.000 0.272 373 L C 0.259 177.052 176.870 -0.129 0.000 1.124 373 L CA -0.241 54.501 54.840 -0.164 0.000 0.816 373 L CB 1.109 43.066 42.059 -0.170 0.000 1.129 373 L HN 0.692 nan 8.230 nan 0.000 0.448 374 E N 2.288 122.408 120.200 -0.133 0.000 2.145 374 E HA 0.396 4.745 4.350 -0.001 0.000 0.270 374 E C 0.123 176.673 176.600 -0.082 0.000 0.906 374 E CA -0.421 55.922 56.400 -0.094 0.000 0.761 374 E CB 1.348 30.998 29.700 -0.084 0.000 1.116 374 E HN 0.776 nan 8.360 nan 0.000 0.408 375 G N 5.186 113.949 108.800 -0.063 0.000 2.422 375 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.290 375 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.290 375 G C 0.575 175.447 174.900 -0.047 0.000 1.059 375 G CA 0.321 45.397 45.100 -0.040 0.000 1.242 375 G HN 0.667 nan 8.290 nan 0.000 0.520 376 L N 0.057 121.228 121.223 -0.087 0.000 2.079 376 L HA -0.150 4.189 4.340 -0.001 0.000 0.210 376 L C 3.011 179.910 176.870 0.049 0.000 1.081 376 L CA 2.295 57.036 54.840 -0.164 0.000 0.752 376 L CB -0.336 41.458 42.059 -0.442 0.000 0.896 376 L HN 0.767 nan 8.230 nan 0.000 0.433 377 K N -0.552 119.924 120.400 0.128 0.000 2.360 377 K HA -0.181 4.138 4.320 -0.001 0.000 0.201 377 K C 1.271 177.951 176.600 0.134 0.000 1.046 377 K CA 1.174 57.573 56.287 0.188 0.000 0.940 377 K CB -0.149 32.423 32.500 0.120 0.000 0.748 377 K HN 0.237 nan 8.250 nan 0.000 0.465 378 E N 0.947 121.198 120.200 0.086 0.000 2.502 378 E HA 0.098 4.448 4.350 -0.001 0.000 0.194 378 E C 0.327 176.976 176.600 0.082 0.000 1.062 378 E CA 0.392 56.831 56.400 0.065 0.000 0.867 378 E CB 0.074 29.792 29.700 0.029 0.000 0.888 378 E HN 0.460 nan 8.360 nan 0.000 0.510 379 A N 1.707 124.602 122.820 0.124 0.000 2.565 379 A HA -0.049 4.271 4.320 -0.001 0.000 0.237 379 A C 0.212 177.896 177.584 0.167 0.000 1.053 379 A CA 0.023 52.144 52.037 0.139 0.000 0.755 379 A CB -0.075 19.071 19.000 0.244 0.000 0.980 379 A HN 0.047 nan 8.150 nan 0.000 0.506 380 E N 0.470 120.775 120.200 0.174 0.000 2.452 380 E HA 0.233 4.583 4.350 -0.001 0.000 0.261 380 E C 0.179 176.952 176.600 0.287 0.000 0.987 380 E CA 0.145 56.688 56.400 0.237 0.000 0.926 380 E CB 0.521 30.425 29.700 0.339 0.000 0.934 380 E HN 0.592 nan 8.360 nan 0.000 0.452 381 V N 2.376 122.396 119.914 0.178 0.000 2.455 381 V HA 0.456 4.575 4.120 -0.001 0.000 0.273 381 V C -0.447 175.700 176.094 0.088 0.000 1.045 381 V CA -0.579 61.795 62.300 0.123 0.000 0.976 381 V CB 0.408 32.268 31.823 0.062 0.000 0.993 381 V HN 0.435 nan 8.190 nan 0.000 0.475 382 L N 4.098 125.354 121.223 0.054 0.000 2.661 382 L HA 0.496 4.836 4.340 -0.001 0.000 0.263 382 L C -0.746 176.061 176.870 -0.105 0.000 0.956 382 L CA -0.089 54.694 54.840 -0.095 0.000 0.918 382 L CB 1.633 43.468 42.059 -0.374 0.000 1.280 382 L HN 0.899 nan 8.230 nan 0.000 0.416 383 D N 2.557 122.902 120.400 -0.092 0.000 2.390 383 D HA 0.189 4.829 4.640 -0.001 0.000 0.249 383 D C 0.176 176.395 176.300 -0.135 0.000 1.144 383 D CA 0.505 54.448 54.000 -0.094 0.000 0.880 383 D CB 1.500 42.257 40.800 -0.071 0.000 1.182 383 D HN 0.732 nan 8.370 nan 0.000 0.451 384 T N -0.158 114.287 114.554 -0.182 0.000 3.228 384 T HA 0.092 4.441 4.350 -0.001 0.000 0.278 384 T C 1.437 175.977 174.700 -0.266 0.000 1.014 384 T CA -0.422 61.526 62.100 -0.253 0.000 0.904 384 T CB 0.283 68.861 68.868 -0.483 0.000 1.110 384 T HN 0.238 nan 8.240 nan 0.000 0.541 385 T N 2.652 117.107 114.554 -0.164 0.000 2.665 385 T HA 0.013 4.363 4.350 -0.001 0.000 0.268 385 T C 1.339 175.996 174.700 -0.073 0.000 1.035 385 T CA 1.297 63.325 62.100 -0.120 0.000 1.151 385 T CB -0.231 68.591 68.868 -0.076 0.000 0.862 385 T HN 0.438 nan 8.240 nan 0.000 0.438 386 L N 0.576 121.775 121.223 -0.040 0.000 2.766 386 L HA 0.300 4.640 4.340 -0.001 0.000 0.242 386 L C 0.039 176.933 176.870 0.040 0.000 1.136 386 L CA -0.300 54.542 54.840 0.004 0.000 0.933 386 L CB 0.408 42.469 42.059 0.003 0.000 1.241 386 L HN 0.012 nan 8.230 nan 0.000 0.522 387 V N 1.127 121.069 119.914 0.048 0.000 2.655 387 V HA -0.063 4.057 4.120 -0.001 0.000 0.300 387 V C 0.125 176.347 176.094 0.214 0.000 1.044 387 V CA 0.087 62.456 62.300 0.115 0.000 1.095 387 V CB 1.017 32.924 31.823 0.140 0.000 0.952 387 V HN 0.159 nan 8.190 nan 0.000 0.485 388 D N 7.274 127.755 120.400 0.136 0.000 2.347 388 D HA 0.239 4.879 4.640 -0.001 0.000 0.235 388 D C -0.991 175.328 176.300 0.031 0.000 1.149 388 D CA -2.210 51.856 54.000 0.110 0.000 0.850 388 D CB 1.672 42.518 40.800 0.077 0.000 1.061 388 D HN 0.238 nan 8.370 nan 0.000 0.487 389 P HA -0.235 nan 4.420 nan 0.000 0.217 389 P C 1.274 178.433 177.300 -0.236 0.000 1.148 389 P CA 1.136 63.990 63.100 -0.410 0.000 0.828 389 P CB 0.383 31.582 31.700 -0.835 0.000 0.783 390 Q N 0.023 119.748 119.800 -0.125 0.000 2.079 390 Q HA -0.103 4.236 4.340 -0.001 0.000 0.200 390 Q C 2.247 178.208 176.000 -0.064 0.000 0.974 390 Q CA 1.631 57.386 55.803 -0.080 0.000 0.840 390 Q CB -0.549 28.187 28.738 -0.002 0.000 0.898 390 Q HN 0.118 nan 8.270 nan 0.000 0.430 391 A N 0.853 123.656 122.820 -0.029 0.000 1.902 391 A HA -0.184 4.136 4.320 -0.001 0.000 0.217 391 A C 1.985 179.557 177.584 -0.020 0.000 1.181 391 A CA 1.300 53.329 52.037 -0.014 0.000 0.623 391 A CB -0.769 18.237 19.000 0.010 0.000 0.818 391 A HN 0.475 nan 8.150 nan 0.000 0.443 392 L N -0.199 121.008 121.223 -0.026 0.000 2.046 392 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 392 L C 2.503 179.377 176.870 0.008 0.000 1.077 392 L CA 2.017 56.853 54.840 -0.006 0.000 0.747 392 L CB -0.898 41.154 42.059 -0.012 0.000 0.896 392 L HN 0.498 nan 8.230 nan 0.000 0.432 393 c N -0.432 118.140 118.600 -0.046 0.000 2.440 393 c HA -0.084 4.485 4.570 -0.001 0.000 0.278 393 c C 2.553 176.630 174.090 -0.021 0.000 1.295 393 c CA 0.708 57.010 56.329 -0.044 0.000 1.738 393 c CB -1.281 41.129 42.510 -0.168 0.000 1.987 393 c HN 0.595 nan 8.230 nan 0.000 0.492 394 N N 0.449 119.119 118.700 -0.050 0.000 2.270 394 N HA -0.115 4.624 4.740 -0.001 0.000 0.181 394 N C 1.838 177.342 175.510 -0.011 0.000 1.016 394 N CA 0.927 53.947 53.050 -0.049 0.000 0.870 394 N CB -0.329 38.116 38.487 -0.070 0.000 0.979 394 N HN 0.700 nan 8.380 nan 0.000 0.431 395 E N 0.930 121.134 120.200 0.005 0.000 2.112 395 E HA -0.028 4.322 4.350 -0.001 0.000 0.190 395 E C 0.088 176.712 176.600 0.039 0.000 0.979 395 E CA 0.566 56.977 56.400 0.018 0.000 0.814 395 E CB 0.314 30.025 29.700 0.019 0.000 0.762 395 E HN 0.146 nan 8.360 nan 0.000 0.460 396 R N 0.703 121.246 120.500 0.071 0.000 2.396 396 R HA 0.326 4.665 4.340 -0.001 0.000 0.292 396 R C 0.034 176.433 176.300 0.165 0.000 1.240 396 R CA -0.379 55.782 56.100 0.101 0.000 1.270 396 R CB 1.575 31.955 30.300 0.133 0.000 1.108 396 R HN 0.055 nan 8.270 nan 0.000 0.573 397 G N 0.463 109.335 108.800 0.120 0.000 2.516 397 G HA2 0.257 4.216 3.960 -0.001 0.000 0.276 397 G HA3 0.257 4.216 3.960 -0.001 0.000 0.276 397 G C 0.955 175.884 174.900 0.048 0.000 1.390 397 G CA -0.032 45.178 45.100 0.184 0.000 1.050 397 G HN 0.493 nan 8.290 nan 0.000 0.519 398 A N -0.800 122.028 122.820 0.014 0.000 2.125 398 A HA -0.005 4.314 4.320 -0.001 0.000 0.219 398 A C 2.476 179.964 177.584 -0.161 0.000 1.156 398 A CA 2.382 54.280 52.037 -0.231 0.000 0.671 398 A CB -0.574 18.301 19.000 -0.208 0.000 0.794 398 A HN 1.084 nan 8.150 nan 0.000 0.459 399 S N -1.265 114.377 115.700 -0.096 0.000 2.528 399 S HA 0.109 4.579 4.470 -0.001 0.000 0.219 399 S C 0.972 175.540 174.600 -0.053 0.000 0.985 399 S CA 0.559 58.715 58.200 -0.073 0.000 0.914 399 S CB -0.372 62.794 63.200 -0.057 0.000 0.776 399 S HN 0.363 nan 8.310 nan 0.000 0.526 400 S N 2.456 118.125 115.700 -0.052 0.000 2.411 400 S HA 0.328 4.798 4.470 -0.001 0.000 0.304 400 S C -0.057 174.515 174.600 -0.047 0.000 1.098 400 S CA -0.826 57.358 58.200 -0.026 0.000 1.068 400 S CB -0.079 63.126 63.200 0.008 0.000 1.032 400 S HN 0.416 nan 8.310 nan 0.000 0.511 401 R N 3.471 123.953 120.500 -0.030 0.000 2.298 401 R HA 0.448 4.788 4.340 -0.001 0.000 0.310 401 R C 0.887 177.180 176.300 -0.011 0.000 1.068 401 R CA -0.252 55.829 56.100 -0.031 0.000 0.957 401 R CB 0.923 31.212 30.300 -0.018 0.000 1.003 401 R HN 0.659 nan 8.270 nan 0.000 0.454 402 G N 0.595 109.381 108.800 -0.023 0.000 3.107 402 G HA2 0.478 4.437 3.960 -0.001 0.000 0.232 402 G HA3 0.478 4.437 3.960 -0.001 0.000 0.232 402 G C 0.212 175.110 174.900 -0.004 0.000 1.339 402 G CA -0.031 45.071 45.100 0.002 0.000 1.033 402 G HN 0.542 nan 8.290 nan 0.000 0.567 403 A N -1.053 121.768 122.820 0.001 0.000 1.843 403 A HA 0.419 4.739 4.320 -0.001 0.000 0.213 403 A C 1.031 178.610 177.584 -0.009 0.000 1.239 403 A CA 0.494 52.532 52.037 0.002 0.000 0.606 403 A CB -0.637 18.375 19.000 0.019 0.000 0.903 403 A HN 0.347 nan 8.150 nan 0.000 0.455 404 L N 0.635 121.846 121.223 -0.021 0.000 2.287 404 L HA 0.563 4.902 4.340 -0.001 0.000 0.280 404 L C 0.321 177.212 176.870 0.036 0.000 1.055 404 L CA 0.130 54.991 54.840 0.036 0.000 0.863 404 L CB 0.336 42.404 42.059 0.016 0.000 1.245 404 L HN 0.728 nan 8.230 nan 0.000 0.432 405 G N 3.850 112.716 108.800 0.111 0.000 2.484 405 G HA2 -0.068 3.892 3.960 -0.001 0.000 0.685 405 G HA3 -0.068 3.892 3.960 -0.001 0.000 0.685 405 G C -3.339 171.460 174.900 -0.168 0.000 1.294 405 G CA -1.124 43.907 45.100 -0.114 0.000 0.879 405 G HN 0.267 nan 8.290 nan 0.000 0.646 406 P HA 0.629 nan 4.420 nan 0.000 0.285 406 P C -0.869 176.067 177.300 -0.607 0.000 1.259 406 P CA -0.292 62.417 63.100 -0.652 0.000 0.794 406 P CB 0.641 31.530 31.700 -1.352 0.000 0.940 407 F N 0.566 120.146 119.950 -0.617 0.000 2.569 407 F HA 0.874 5.401 4.527 -0.001 0.000 0.312 407 F C 0.033 175.401 175.800 -0.720 0.000 1.109 407 F CA -0.720 56.742 58.000 -0.896 0.000 0.919 407 F CB 1.609 40.175 39.000 -0.723 0.000 1.211 407 F HN 0.670 nan 8.300 nan 0.000 0.446 408 G N 2.394 110.890 108.800 -0.508 0.000 2.566 408 G HA2 0.336 4.295 3.960 -0.001 0.000 0.138 408 G HA3 0.336 4.295 3.960 -0.001 0.000 0.138 408 G C -2.169 172.980 174.900 0.414 0.000 1.133 408 G CA -0.838 44.361 45.100 0.164 0.000 1.037 408 G HN 0.774 nan 8.290 nan 0.000 0.491 409 L N 0.619 122.144 121.223 0.503 0.000 2.333 409 L HA 0.697 5.036 4.340 -0.001 0.000 0.269 409 L C -0.633 176.519 176.870 0.471 0.000 1.010 409 L CA -0.889 54.247 54.840 0.492 0.000 0.818 409 L CB 2.051 44.298 42.059 0.314 0.000 1.306 409 L HN 0.314 nan 8.230 nan 0.000 0.430 410 L N 2.370 123.815 121.223 0.369 0.000 2.318 410 L HA 0.641 4.981 4.340 -0.001 0.000 0.277 410 L C -0.144 176.874 176.870 0.247 0.000 1.008 410 L CA -0.299 54.664 54.840 0.206 0.000 0.846 410 L CB 1.506 43.631 42.059 0.110 0.000 1.220 410 L HN 0.661 nan 8.230 nan 0.000 0.423 411 A N 3.884 126.811 122.820 0.178 0.000 2.311 411 A HA 0.763 5.083 4.320 -0.001 0.000 0.334 411 A C 0.564 178.249 177.584 0.168 0.000 1.139 411 A CA -0.574 51.558 52.037 0.159 0.000 0.830 411 A CB 1.148 20.220 19.000 0.120 0.000 1.234 411 A HN 0.704 nan 8.150 nan 0.000 0.483 412 M N -1.388 118.319 119.600 0.180 0.000 2.169 412 M HA -0.210 4.269 4.480 -0.001 0.000 0.196 412 M C 0.419 176.961 176.300 0.403 0.000 0.355 412 M CA 1.057 56.521 55.300 0.273 0.000 0.396 412 M CB -2.875 29.828 32.600 0.171 0.000 1.125 412 M HN 1.147 nan 8.290 nan 0.000 0.939 413 A N 0.286 123.282 122.820 0.295 0.000 2.312 413 A HA 0.779 5.099 4.320 -0.001 0.000 0.328 413 A C 0.755 178.221 177.584 -0.195 0.000 1.158 413 A CA 0.104 52.233 52.037 0.153 0.000 0.821 413 A CB 0.896 20.027 19.000 0.218 0.000 1.170 413 A HN 0.658 nan 8.150 nan 0.000 0.490 414 S N 0.913 116.280 115.700 -0.555 0.000 2.652 414 S HA 0.313 4.782 4.470 -0.001 0.000 0.270 414 S C 1.008 175.352 174.600 -0.427 0.000 1.243 414 S CA -0.102 57.543 58.200 -0.925 0.000 0.999 414 S CB 1.116 63.829 63.200 -0.812 0.000 0.973 414 S HN 0.738 nan 8.310 nan 0.000 0.544 415 K N 1.371 121.470 120.400 -0.503 0.000 2.059 415 K HA -0.209 4.110 4.320 -0.001 0.000 0.212 415 K C 1.192 177.618 176.600 -0.290 0.000 1.050 415 K CA 2.469 58.395 56.287 -0.602 0.000 0.927 415 K CB -0.859 31.398 32.500 -0.405 0.000 0.714 415 K HN 0.875 nan 8.250 nan 0.000 0.447 416 D N -0.365 119.900 120.400 -0.225 0.000 2.340 416 D HA -0.042 4.597 4.640 -0.001 0.000 0.220 416 D C 0.546 176.730 176.300 -0.193 0.000 1.039 416 D CA 0.258 54.157 54.000 -0.168 0.000 0.866 416 D CB -0.141 40.590 40.800 -0.115 0.000 0.913 416 D HN 0.348 nan 8.370 nan 0.000 0.523 417 L N -1.273 119.809 121.223 -0.235 0.000 4.496 417 L HA -0.315 4.024 4.340 -0.001 0.000 0.419 417 L C 1.340 178.115 176.870 -0.160 0.000 1.139 417 L CA 0.643 55.335 54.840 -0.247 0.000 0.975 417 L CB -1.438 40.412 42.059 -0.348 0.000 2.099 417 L HN 0.136 nan 8.230 nan 0.000 0.818 418 K N 0.304 120.636 120.400 -0.114 0.000 2.283 418 K HA 0.019 4.338 4.320 -0.001 0.000 0.202 418 K C 0.467 177.058 176.600 -0.015 0.000 1.048 418 K CA 0.913 57.166 56.287 -0.057 0.000 0.948 418 K CB 0.095 32.578 32.500 -0.028 0.000 0.742 418 K HN 0.448 nan 8.250 nan 0.000 0.458 419 E N 0.610 120.811 120.200 0.002 0.000 2.256 419 E HA 0.166 4.515 4.350 -0.001 0.000 0.268 419 E C -1.128 175.512 176.600 0.067 0.000 0.877 419 E CA -0.571 55.883 56.400 0.091 0.000 0.757 419 E CB 1.971 31.837 29.700 0.276 0.000 1.183 419 E HN 0.093 nan 8.360 nan 0.000 0.418 420 Q N 0.052 119.887 119.800 0.058 0.000 2.527 420 Q HA 0.548 4.888 4.340 -0.001 0.000 0.280 420 Q C -1.532 174.490 176.000 0.037 0.000 0.977 420 Q CA -0.963 54.863 55.803 0.038 0.000 0.837 420 Q CB 1.637 30.329 28.738 -0.077 0.000 1.454 420 Q HN 0.257 nan 8.270 nan 0.000 0.387 421 S N 0.672 116.406 115.700 0.055 0.000 2.640 421 S HA 0.741 5.211 4.470 -0.001 0.000 0.320 421 S C -1.001 173.631 174.600 0.053 0.000 1.097 421 S CA -0.502 57.725 58.200 0.046 0.000 1.092 421 S CB 1.419 64.652 63.200 0.055 0.000 0.988 421 S HN 0.680 nan 8.310 nan 0.000 0.470 422 A N 4.325 127.178 122.820 0.056 0.000 2.252 422 A HA 0.674 4.993 4.320 -0.001 0.000 0.309 422 A C -0.327 177.362 177.584 0.176 0.000 1.285 422 A CA -0.560 51.574 52.037 0.161 0.000 0.900 422 A CB 0.048 19.150 19.000 0.169 0.000 1.157 422 A HN 0.690 nan 8.150 nan 0.000 0.536 423 I N 4.482 125.158 120.570 0.177 0.000 2.328 423 I HA 0.535 4.704 4.170 -0.001 0.000 0.287 423 I C -0.476 175.624 176.117 -0.029 0.000 1.012 423 I CA -0.349 60.915 61.300 -0.061 0.000 1.195 423 I CB -0.274 37.701 38.000 -0.041 0.000 1.350 423 I HN 0.646 nan 8.210 nan 0.000 0.464 424 F N 4.720 124.478 119.950 -0.319 0.000 2.754 424 F HA 0.807 5.334 4.527 -0.001 0.000 0.320 424 F C -1.741 173.530 175.800 -0.881 0.000 1.156 424 F CA -1.525 56.151 58.000 -0.540 0.000 0.950 424 F CB 1.247 40.085 39.000 -0.269 0.000 1.388 424 F HN 0.039 nan 8.300 nan 0.000 0.485 425 F N 0.177 119.939 119.950 -0.313 0.000 2.598 425 F HA 0.850 5.377 4.527 -0.001 0.000 0.327 425 F C -0.277 175.165 175.800 -0.598 0.000 1.057 425 F CA -1.025 56.673 58.000 -0.504 0.000 0.957 425 F CB 2.337 40.913 39.000 -0.707 0.000 1.278 425 F HN 0.354 nan 8.300 nan 0.000 0.484 426 R N 0.430 120.827 120.500 -0.171 0.000 2.698 426 R HA 0.786 5.126 4.340 -0.001 0.000 0.275 426 R C -2.043 174.055 176.300 -0.337 0.000 1.001 426 R CA -1.078 54.831 56.100 -0.320 0.000 0.896 426 R CB 2.675 32.793 30.300 -0.303 0.000 1.218 426 R HN 0.383 nan 8.270 nan 0.000 0.462 427 V N 3.064 122.724 119.914 -0.423 0.000 2.487 427 V HA 0.572 4.691 4.120 -0.001 0.000 0.298 427 V C -0.963 174.908 176.094 -0.371 0.000 1.028 427 V CA -0.602 61.554 62.300 -0.239 0.000 0.860 427 V CB 1.290 33.075 31.823 -0.063 0.000 0.991 427 V HN 0.527 nan 8.190 nan 0.000 0.427 428 F N 2.096 122.165 119.950 0.198 0.000 2.639 428 F HA 0.786 5.312 4.527 -0.001 0.000 0.339 428 F C 0.119 176.052 175.800 0.222 0.000 1.071 428 F CA -0.802 57.306 58.000 0.181 0.000 0.994 428 F CB 1.913 40.999 39.000 0.144 0.000 1.341 428 F HN 0.534 nan 8.300 nan 0.000 0.498 429 Q N 0.676 120.685 119.800 0.347 0.000 2.340 429 Q HA 0.468 4.807 4.340 -0.001 0.000 0.276 429 Q C -1.628 174.392 176.000 0.034 0.000 1.048 429 Q CA -1.160 54.702 55.803 0.098 0.000 0.832 429 Q CB 2.380 31.093 28.738 -0.042 0.000 1.373 429 Q HN 0.657 nan 8.270 nan 0.000 0.409 430 N N 1.178 119.849 118.700 -0.048 0.000 2.374 430 N HA -0.011 4.728 4.740 -0.001 0.000 0.284 430 N C 0.606 176.083 175.510 -0.056 0.000 1.280 430 N CA -0.299 52.722 53.050 -0.049 0.000 0.963 430 N CB 0.299 38.746 38.487 -0.066 0.000 1.141 430 N HN 0.746 nan 8.380 nan 0.000 0.565 431 Q N -1.267 118.506 119.800 -0.046 0.000 2.170 431 Q HA 0.109 4.449 4.340 -0.001 0.000 0.203 431 Q C 0.940 176.909 176.000 -0.053 0.000 0.976 431 Q CA 1.258 57.037 55.803 -0.039 0.000 0.858 431 Q CB -0.245 28.475 28.738 -0.030 0.000 0.907 431 Q HN 0.595 nan 8.270 nan 0.000 0.433 432 L N -0.935 120.248 121.223 -0.067 0.000 2.645 432 L HA 0.268 4.608 4.340 -0.001 0.000 0.235 432 L C 1.178 177.981 176.870 -0.112 0.000 1.150 432 L CA 1.151 55.948 54.840 -0.072 0.000 0.911 432 L CB -1.116 40.906 42.059 -0.061 0.000 1.077 432 L HN 0.450 nan 8.230 nan 0.000 0.438 433 G N 0.300 109.005 108.800 -0.159 0.000 2.159 433 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.256 433 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.256 433 G C 0.432 175.038 174.900 -0.490 0.000 0.977 433 G CA -0.007 44.923 45.100 -0.283 0.000 0.652 433 G HN 0.315 nan 8.290 nan 0.000 0.531 434 R N -0.222 120.080 120.500 -0.331 0.000 2.390 434 R HA 0.625 4.965 4.340 -0.001 0.000 0.291 434 R C -0.029 176.082 176.300 -0.315 0.000 1.070 434 R CA -0.430 55.496 56.100 -0.289 0.000 1.014 434 R CB 0.090 30.317 30.300 -0.122 0.000 1.007 434 R HN 0.282 nan 8.270 nan 0.000 0.466 435 Y N 0.198 120.518 120.300 0.034 0.000 2.335 435 Y HA 0.448 4.997 4.550 -0.001 0.000 0.323 435 Y C 0.749 176.683 175.900 0.057 0.000 1.224 435 Y CA -0.344 57.790 58.100 0.056 0.000 1.241 435 Y CB 1.569 40.058 38.460 0.048 0.000 1.235 435 Y HN 0.629 nan 8.280 nan 0.000 0.492 436 S N 0.135 116.004 115.700 0.283 0.000 2.569 436 S HA 0.854 5.323 4.470 -0.001 0.000 0.280 436 S C -1.676 173.100 174.600 0.293 0.000 1.111 436 S CA -0.831 57.497 58.200 0.212 0.000 0.887 436 S CB 1.530 64.787 63.200 0.096 0.000 1.095 436 S HN 0.355 nan 8.310 nan 0.000 0.476 437 V N 2.488 122.579 119.914 0.296 0.000 2.487 437 V HA 0.610 4.729 4.120 -0.001 0.000 0.298 437 V C -0.806 175.515 176.094 0.379 0.000 1.028 437 V CA -0.680 61.778 62.300 0.263 0.000 0.860 437 V CB 1.346 33.248 31.823 0.130 0.000 0.991 437 V HN 0.917 nan 8.190 nan 0.000 0.427 438 L N 5.506 126.909 121.223 0.299 0.000 2.317 438 L HA 0.722 5.062 4.340 -0.001 0.000 0.281 438 L C -0.463 176.444 176.870 0.061 0.000 1.024 438 L CA -0.173 54.742 54.840 0.125 0.000 0.810 438 L CB 1.459 43.616 42.059 0.164 0.000 1.240 438 L HN 0.793 nan 8.230 nan 0.000 0.427 439 M N 5.383 124.923 119.600 -0.100 0.000 2.243 439 M HA 0.534 5.014 4.480 -0.001 0.000 0.324 439 M C -1.732 174.297 176.300 -0.451 0.000 1.031 439 M CA -0.235 54.911 55.300 -0.256 0.000 0.949 439 M CB 1.121 33.660 32.600 -0.101 0.000 1.615 439 M HN 0.746 nan 8.290 nan 0.000 0.430 440 c N 1.680 119.837 118.600 -0.738 0.000 2.707 440 c HA 0.691 5.260 4.570 -0.001 0.000 0.313 440 c C -0.210 173.447 174.090 -0.721 0.000 1.209 440 c CA -0.638 55.215 56.329 -0.794 0.000 1.635 440 c CB 2.208 43.981 42.510 -1.229 0.000 2.206 440 c HN 0.858 nan 8.230 nan 0.000 0.485 441 S N 1.551 116.999 115.700 -0.420 0.000 2.532 441 S HA 0.197 4.667 4.470 -0.001 0.000 0.256 441 S C -0.829 173.654 174.600 -0.196 0.000 1.298 441 S CA -0.172 57.885 58.200 -0.238 0.000 1.166 441 S CB 0.139 63.302 63.200 -0.062 0.000 1.022 441 S HN 0.825 nan 8.310 nan 0.000 0.480 442 D N 3.038 123.337 120.400 -0.168 0.000 2.352 442 D HA 0.177 4.816 4.640 -0.001 0.000 0.245 442 D C 0.238 176.519 176.300 -0.031 0.000 1.224 442 D CA -0.435 53.536 54.000 -0.049 0.000 0.879 442 D CB 0.603 41.503 40.800 0.167 0.000 1.057 442 D HN 0.179 nan 8.370 nan 0.000 0.491 443 L N 3.177 124.357 121.223 -0.071 0.000 2.728 443 L HA 0.061 4.401 4.340 -0.001 0.000 0.238 443 L C 2.324 179.172 176.870 -0.037 0.000 1.143 443 L CA 0.266 55.080 54.840 -0.044 0.000 0.937 443 L CB -0.790 41.237 42.059 -0.054 0.000 1.225 443 L HN 0.481 nan 8.230 nan 0.000 0.507 444 S N -0.046 115.628 115.700 -0.043 0.000 2.402 444 S HA -0.204 4.265 4.470 -0.001 0.000 0.233 444 S C 1.708 176.298 174.600 -0.016 0.000 1.030 444 S CA 1.139 59.319 58.200 -0.033 0.000 1.003 444 S CB -0.238 62.945 63.200 -0.028 0.000 0.813 444 S HN 0.509 nan 8.310 nan 0.000 0.477 445 R N 0.886 121.380 120.500 -0.010 0.000 2.613 445 R HA 0.275 4.614 4.340 -0.001 0.000 0.361 445 R C 1.591 177.906 176.300 0.025 0.000 1.072 445 R CA 0.546 56.645 56.100 -0.002 0.000 1.089 445 R CB 0.313 30.599 30.300 -0.024 0.000 1.343 445 R HN 0.644 nan 8.270 nan 0.000 0.571 446 S N -0.686 115.033 115.700 0.032 0.000 2.474 446 S HA -0.062 4.408 4.470 -0.001 0.000 0.235 446 S C 0.952 175.611 174.600 0.098 0.000 0.997 446 S CA 0.767 59.004 58.200 0.063 0.000 0.949 446 S CB 0.203 63.428 63.200 0.043 0.000 0.766 446 S HN 0.187 nan 8.310 nan 0.000 0.517 447 T N -0.337 114.267 114.554 0.082 0.000 2.885 447 T HA 0.423 4.773 4.350 -0.001 0.000 0.322 447 T C 0.138 174.881 174.700 0.070 0.000 1.387 447 T CA -0.181 61.978 62.100 0.099 0.000 1.041 447 T CB 1.659 70.586 68.868 0.098 0.000 1.287 447 T HN 0.358 nan 8.240 nan 0.000 0.491 448 V N 1.172 121.133 119.914 0.078 0.000 3.647 448 V HA 0.524 4.643 4.120 -0.001 0.000 0.279 448 V C 1.005 177.123 176.094 0.040 0.000 1.314 448 V CA -0.092 62.240 62.300 0.053 0.000 1.125 448 V CB -0.629 31.230 31.823 0.058 0.000 0.907 448 V HN 0.644 nan 8.190 nan 0.000 0.434 449 R N 1.320 121.846 120.500 0.044 0.000 2.641 449 R HA 0.440 4.779 4.340 -0.001 0.000 0.269 449 R C 0.169 176.467 176.300 -0.003 0.000 1.074 449 R CA 0.130 56.242 56.100 0.021 0.000 1.133 449 R CB 0.872 31.183 30.300 0.018 0.000 1.029 449 R HN 0.466 nan 8.270 nan 0.000 0.488 450 S N 1.575 117.265 115.700 -0.016 0.000 2.687 450 S HA 0.162 4.632 4.470 -0.001 0.000 0.283 450 S C 0.151 174.721 174.600 -0.050 0.000 1.170 450 S CA -0.725 57.459 58.200 -0.026 0.000 1.008 450 S CB 0.862 64.049 63.200 -0.021 0.000 1.026 450 S HN 0.704 nan 8.310 nan 0.000 0.541 451 N N 0.215 118.885 118.700 -0.050 0.000 2.747 451 N HA -0.137 4.603 4.740 -0.001 0.000 0.249 451 N C -1.209 174.242 175.510 -0.099 0.000 1.107 451 N CA 0.603 53.612 53.050 -0.068 0.000 0.707 451 N CB -1.098 37.345 38.487 -0.073 0.000 1.054 451 N HN 0.370 nan 8.380 nan 0.000 0.555 452 I N 0.636 121.157 120.570 -0.081 0.000 2.436 452 I HA 0.143 4.313 4.170 -0.001 0.000 0.289 452 I C 0.467 176.561 176.117 -0.037 0.000 1.010 452 I CA -0.800 60.446 61.300 -0.090 0.000 1.098 452 I CB 1.737 39.699 38.000 -0.063 0.000 1.266 452 I HN -0.105 nan 8.210 nan 0.000 0.434 453 D N 5.177 125.561 120.400 -0.025 0.000 2.348 453 D HA 0.028 4.667 4.640 -0.001 0.000 0.259 453 D C 0.920 177.227 176.300 0.011 0.000 1.296 453 D CA 0.163 54.161 54.000 -0.003 0.000 0.931 453 D CB 0.696 41.504 40.800 0.014 0.000 1.067 453 D HN 0.623 nan 8.370 nan 0.000 0.503 454 T N 0.044 114.587 114.554 -0.018 0.000 3.251 454 T HA 0.119 4.468 4.350 -0.001 0.000 0.259 454 T C 0.688 175.322 174.700 -0.110 0.000 0.998 454 T CA -0.591 61.488 62.100 -0.035 0.000 0.905 454 T CB -0.366 68.489 68.868 -0.023 0.000 1.067 454 T HN 0.153 nan 8.240 nan 0.000 0.569 455 T N 3.210 117.674 114.554 -0.149 0.000 2.946 455 T HA 0.221 4.571 4.350 -0.001 0.000 0.311 455 T C 0.470 174.813 174.700 -0.595 0.000 1.063 455 T CA 0.126 62.055 62.100 -0.284 0.000 1.139 455 T CB 0.625 69.349 68.868 -0.240 0.000 0.994 455 T HN 0.368 nan 8.240 nan 0.000 0.547 456 S N 1.372 116.746 115.700 -0.543 0.000 2.672 456 S HA 0.607 5.076 4.470 -0.001 0.000 0.276 456 S C -0.976 173.113 174.600 -0.852 0.000 1.207 456 S CA -0.636 57.205 58.200 -0.598 0.000 1.002 456 S CB 0.396 63.428 63.200 -0.280 0.000 0.998 456 S HN 0.552 nan 8.310 nan 0.000 0.542 457 Y N -0.559 119.669 120.300 -0.120 0.000 2.536 457 Y HA 0.748 5.297 4.550 -0.001 0.000 0.347 457 Y C 0.584 176.361 175.900 -0.205 0.000 1.000 457 Y CA -0.831 57.189 58.100 -0.134 0.000 1.051 457 Y CB 2.074 40.463 38.460 -0.118 0.000 1.259 457 Y HN 0.852 nan 8.280 nan 0.000 0.468 458 G N -0.168 108.593 108.800 -0.064 0.000 2.646 458 G HA2 0.812 4.771 3.960 -0.001 0.000 0.291 458 G HA3 0.812 4.771 3.960 -0.001 0.000 0.291 458 G C -2.039 172.657 174.900 -0.339 0.000 1.445 458 G CA -0.404 44.554 45.100 -0.237 0.000 0.814 458 G HN 0.965 nan 8.290 nan 0.000 0.495 459 A N -0.490 122.039 122.820 -0.484 0.000 2.597 459 A HA 0.753 5.073 4.320 -0.001 0.000 0.292 459 A C -1.642 175.614 177.584 -0.546 0.000 1.057 459 A CA -0.793 50.844 52.037 -0.666 0.000 0.674 459 A CB 0.683 19.056 19.000 -1.046 0.000 1.278 459 A HN 0.802 nan 8.150 nan 0.000 0.416 460 F N 0.636 120.458 119.950 -0.214 0.000 2.384 460 F HA 0.498 5.025 4.527 -0.001 0.000 0.338 460 F C 0.489 176.257 175.800 -0.054 0.000 1.103 460 F CA -0.222 57.736 58.000 -0.070 0.000 1.157 460 F CB 1.745 40.727 39.000 -0.030 0.000 1.167 460 F HN 0.283 nan 8.300 nan 0.000 0.529 461 V N 1.982 122.026 119.914 0.217 0.000 2.394 461 V HA 0.107 4.226 4.120 -0.001 0.000 0.282 461 V C -0.333 175.847 176.094 0.144 0.000 1.031 461 V CA -0.764 61.629 62.300 0.154 0.000 0.881 461 V CB 1.425 33.344 31.823 0.160 0.000 0.982 461 V HN 0.577 nan 8.190 nan 0.000 0.451 462 D N 5.791 126.260 120.400 0.115 0.000 2.551 462 D HA 0.330 4.969 4.640 -0.001 0.000 0.223 462 D C -0.191 176.157 176.300 0.079 0.000 1.144 462 D CA 0.082 54.138 54.000 0.094 0.000 1.025 462 D CB -0.242 40.610 40.800 0.087 0.000 1.085 462 D HN 0.596 nan 8.370 nan 0.000 0.506 463 I N -1.736 118.879 120.570 0.074 0.000 3.074 463 I HA 0.545 4.715 4.170 -0.001 0.000 0.310 463 I C -0.917 175.236 176.117 0.059 0.000 1.153 463 I CA -1.232 60.101 61.300 0.055 0.000 0.993 463 I CB 2.301 40.320 38.000 0.033 0.000 1.237 463 I HN -0.247 nan 8.210 nan 0.000 0.443 464 D N 4.252 124.682 120.400 0.050 0.000 2.443 464 D HA 0.432 5.072 4.640 -0.001 0.000 0.221 464 D C -1.926 174.390 176.300 0.027 0.000 1.097 464 D CA -2.432 51.607 54.000 0.064 0.000 0.865 464 D CB 1.737 42.575 40.800 0.065 0.000 1.034 464 D HN 0.255 nan 8.370 nan 0.000 0.511 465 P HA -0.108 nan 4.420 nan 0.000 0.220 465 P C 1.054 178.291 177.300 -0.106 0.000 1.144 465 P CA 0.899 63.948 63.100 -0.084 0.000 0.800 465 P CB 0.268 31.862 31.700 -0.177 0.000 0.772 466 R N -0.474 119.990 120.500 -0.059 0.000 2.115 466 R HA -0.005 4.334 4.340 -0.001 0.000 0.230 466 R C 1.849 178.139 176.300 -0.016 0.000 1.111 466 R CA 1.825 57.905 56.100 -0.034 0.000 0.976 466 R CB -0.416 29.916 30.300 0.053 0.000 0.870 466 R HN 0.317 nan 8.270 nan 0.000 0.445 467 S N -1.145 114.553 115.700 -0.003 0.000 2.666 467 S HA 0.215 4.685 4.470 -0.001 0.000 0.239 467 S C -0.031 174.566 174.600 -0.005 0.000 1.031 467 S CA -0.606 57.594 58.200 -0.001 0.000 1.015 467 S CB 0.723 63.930 63.200 0.012 0.000 0.981 467 S HN 0.065 nan 8.310 nan 0.000 0.547 468 E N 1.389 121.583 120.200 -0.010 0.000 2.246 468 E HA 0.335 4.685 4.350 -0.001 0.000 0.266 468 E C -1.151 175.437 176.600 -0.021 0.000 0.880 468 E CA -0.500 55.894 56.400 -0.010 0.000 0.762 468 E CB 1.803 31.503 29.700 -0.001 0.000 1.180 468 E HN 0.359 nan 8.360 nan 0.000 0.416 469 E N 2.267 122.458 120.200 -0.015 0.000 2.383 469 E HA 0.181 4.531 4.350 -0.001 0.000 0.264 469 E C -0.190 176.405 176.600 -0.009 0.000 1.050 469 E CA -0.126 56.269 56.400 -0.009 0.000 0.896 469 E CB 1.048 30.746 29.700 -0.003 0.000 0.982 469 E HN 0.362 nan 8.360 nan 0.000 0.424 470 I N 2.670 123.238 120.570 -0.003 0.000 2.337 470 I HA 0.019 4.189 4.170 -0.001 0.000 0.291 470 I C 0.417 176.551 176.117 0.028 0.000 1.046 470 I CA -0.112 61.123 61.300 -0.107 0.000 1.324 470 I CB 0.410 38.227 38.000 -0.304 0.000 1.409 470 I HN 0.364 nan 8.210 nan 0.000 0.494 471 S N 7.456 123.183 115.700 0.044 0.000 2.593 471 S HA 0.821 5.290 4.470 -0.001 0.000 0.297 471 S C -0.814 174.000 174.600 0.355 0.000 1.112 471 S CA -0.807 57.499 58.200 0.178 0.000 1.043 471 S CB 2.396 65.683 63.200 0.145 0.000 1.054 471 S HN 0.475 nan 8.310 nan 0.000 0.516 472 L N 1.536 123.013 121.223 0.422 0.000 2.505 472 L HA 0.636 4.975 4.340 -0.001 0.000 0.266 472 L C -0.733 176.358 176.870 0.367 0.000 0.954 472 L CA -0.461 54.677 54.840 0.498 0.000 0.852 472 L CB 2.069 44.511 42.059 0.638 0.000 1.282 472 L HN 0.973 nan 8.230 nan 0.000 0.403 473 R N 3.820 124.547 120.500 0.379 0.000 2.562 473 R HA 0.608 4.948 4.340 -0.001 0.000 0.298 473 R C -1.333 175.132 176.300 0.274 0.000 0.961 473 R CA -0.559 55.710 56.100 0.283 0.000 0.881 473 R CB 1.252 31.657 30.300 0.173 0.000 1.159 473 R HN 0.765 nan 8.270 nan 0.000 0.450 474 N N 4.287 123.107 118.700 0.200 0.000 2.346 474 N HA 0.258 4.997 4.740 -0.001 0.000 0.289 474 N C -1.533 174.075 175.510 0.163 0.000 1.027 474 N CA -0.608 52.549 53.050 0.179 0.000 0.864 474 N CB 1.928 40.500 38.487 0.143 0.000 1.370 474 N HN 0.301 nan 8.380 nan 0.000 0.481 475 L N 3.701 125.042 121.223 0.197 0.000 2.259 475 L HA 0.499 4.839 4.340 -0.001 0.000 0.288 475 L C -0.106 176.901 176.870 0.228 0.000 1.051 475 L CA -0.260 54.719 54.840 0.232 0.000 0.824 475 L CB 0.275 42.509 42.059 0.291 0.000 1.206 475 L HN 0.424 nan 8.230 nan 0.000 0.429 476 I N 3.449 124.154 120.570 0.224 0.000 2.321 476 I HA 0.288 4.457 4.170 -0.001 0.000 0.291 476 I C -0.346 175.863 176.117 0.154 0.000 0.998 476 I CA -0.248 61.136 61.300 0.140 0.000 1.227 476 I CB 1.406 39.465 38.000 0.099 0.000 1.368 476 I HN 0.423 nan 8.210 nan 0.000 0.466 477 D N 5.523 125.933 120.400 0.017 0.000 2.586 477 D HA 0.243 4.882 4.640 -0.001 0.000 0.254 477 D C 0.196 176.530 176.300 0.056 0.000 1.248 477 D CA -0.146 53.837 54.000 -0.027 0.000 0.843 477 D CB 0.218 40.798 40.800 -0.366 0.000 1.332 477 D HN 0.669 nan 8.370 nan 0.000 0.523 478 H N 0.072 119.108 119.070 -0.056 0.000 1.453 478 H HA -0.303 4.252 4.556 -0.001 0.000 0.090 478 H C 1.463 176.758 175.328 -0.054 0.000 0.605 478 H CA 2.539 58.564 56.048 -0.038 0.000 1.901 478 H CB -1.404 28.341 29.762 -0.029 0.000 2.257 478 H HN 0.340 nan 8.280 nan 0.000 0.961 479 S N 1.729 117.481 115.700 0.087 0.000 2.605 479 S HA 0.349 4.818 4.470 -0.001 0.000 0.217 479 S C 0.569 175.014 174.600 -0.259 0.000 0.958 479 S CA 0.403 58.514 58.200 -0.149 0.000 0.919 479 S CB 0.274 63.360 63.200 -0.189 0.000 0.780 479 S HN 0.423 nan 8.310 nan 0.000 0.507 480 I N 0.432 120.879 120.570 -0.204 0.000 2.686 480 I HA 0.594 4.764 4.170 -0.001 0.000 0.295 480 I C -1.914 174.105 176.117 -0.163 0.000 1.114 480 I CA -1.527 59.630 61.300 -0.240 0.000 1.038 480 I CB 2.060 39.823 38.000 -0.396 0.000 1.238 480 I HN 0.112 nan 8.210 nan 0.000 0.420 481 I N 6.366 126.874 120.570 -0.103 0.000 2.499 481 I HA 0.355 4.524 4.170 -0.001 0.000 0.288 481 I C -0.991 175.106 176.117 -0.034 0.000 1.048 481 I CA -0.508 60.773 61.300 -0.032 0.000 1.062 481 I CB 2.071 40.062 38.000 -0.015 0.000 1.238 481 I HN 0.491 nan 8.210 nan 0.000 0.426 482 E N 4.773 124.985 120.200 0.019 0.000 2.129 482 E HA 0.437 4.787 4.350 -0.001 0.000 0.268 482 E C -1.104 175.404 176.600 -0.154 0.000 0.900 482 E CA -0.524 55.827 56.400 -0.080 0.000 0.755 482 E CB 1.969 31.711 29.700 0.069 0.000 1.117 482 E HN 0.436 nan 8.360 nan 0.000 0.410 483 S N 2.908 118.415 115.700 -0.322 0.000 2.437 483 S HA 0.472 4.942 4.470 -0.001 0.000 0.305 483 S C -0.770 173.588 174.600 -0.404 0.000 1.109 483 S CA -0.679 57.393 58.200 -0.213 0.000 1.099 483 S CB 0.350 63.472 63.200 -0.130 0.000 1.004 483 S HN 0.308 nan 8.310 nan 0.000 0.475 484 F N 1.636 121.632 119.950 0.077 0.000 2.382 484 F HA 0.538 5.065 4.527 -0.001 0.000 0.361 484 F C 0.914 176.877 175.800 0.271 0.000 1.109 484 F CA -0.646 57.450 58.000 0.160 0.000 1.031 484 F CB 1.383 40.481 39.000 0.164 0.000 1.234 484 F HN 0.676 nan 8.300 nan 0.000 0.445 485 G N 1.522 110.551 108.800 0.381 0.000 2.400 485 G HA2 0.485 4.444 3.960 -0.001 0.000 0.301 485 G HA3 0.485 4.444 3.960 -0.001 0.000 0.301 485 G C 0.173 175.280 174.900 0.345 0.000 1.154 485 G CA -0.400 44.959 45.100 0.432 0.000 0.852 485 G HN 1.240 nan 8.290 nan 0.000 0.511 486 A N 0.315 123.301 122.820 0.277 0.000 2.560 486 A HA 0.259 4.578 4.320 -0.001 0.000 0.299 486 A C 1.952 179.626 177.584 0.151 0.000 1.484 486 A CA 1.605 53.740 52.037 0.164 0.000 0.749 486 A CB -1.389 17.678 19.000 0.111 0.000 1.072 486 A HN 3.015 nan 8.150 nan 0.000 0.426 487 G N -1.617 107.293 108.800 0.183 0.000 2.168 487 G HA2 0.236 4.195 3.960 -0.001 0.000 0.257 487 G HA3 0.236 4.195 3.960 -0.001 0.000 0.257 487 G C 1.154 176.113 174.900 0.099 0.000 0.997 487 G CA 1.046 46.107 45.100 -0.065 0.000 0.708 487 G HN 3.090 nan 8.290 nan 0.000 0.520 488 G N -1.410 107.645 108.800 0.425 0.000 2.154 488 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.186 488 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.186 488 G C 0.889 175.908 174.900 0.198 0.000 1.000 488 G CA 1.094 46.456 45.100 0.436 0.000 0.664 488 G HN 0.784 nan 8.290 nan 0.000 0.513 489 K N -0.361 120.139 120.400 0.166 0.000 2.155 489 K HA 0.086 4.405 4.320 -0.001 0.000 0.203 489 K C 0.369 177.063 176.600 0.157 0.000 1.052 489 K CA 1.380 57.741 56.287 0.124 0.000 0.948 489 K CB 0.118 32.686 32.500 0.113 0.000 0.728 489 K HN 0.350 nan 8.250 nan 0.000 0.448 490 T N 0.584 115.243 114.554 0.176 0.000 2.890 490 T HA 0.292 4.642 4.350 -0.001 0.000 0.295 490 T C -0.904 173.856 174.700 0.099 0.000 0.993 490 T CA -0.652 61.536 62.100 0.146 0.000 0.979 490 T CB 1.235 70.156 68.868 0.088 0.000 0.967 490 T HN 0.042 nan 8.240 nan 0.000 0.441 491 C N 4.048 123.374 119.300 0.044 0.000 2.411 491 C HA 0.778 5.238 4.460 -0.001 0.000 0.330 491 C C -0.110 174.755 174.990 -0.209 0.000 1.224 491 C CA -0.943 57.952 59.018 -0.204 0.000 1.770 491 C CB -0.073 27.460 27.740 -0.344 0.000 2.297 491 C HN 0.826 nan 8.230 nan 0.000 0.507 492 I N 2.010 122.396 120.570 -0.307 0.000 2.534 492 I HA 0.256 4.426 4.170 -0.001 0.000 0.286 492 I C -0.375 175.577 176.117 -0.274 0.000 1.094 492 I CA 0.120 61.273 61.300 -0.246 0.000 1.055 492 I CB 1.939 39.850 38.000 -0.148 0.000 1.225 492 I HN 0.575 nan 8.210 nan 0.000 0.435 493 T N 4.142 118.534 114.554 -0.269 0.000 2.767 493 T HA 0.450 4.799 4.350 -0.001 0.000 0.288 493 T C -0.083 174.509 174.700 -0.179 0.000 0.963 493 T CA -0.380 61.613 62.100 -0.179 0.000 1.019 493 T CB 1.258 70.096 68.868 -0.050 0.000 0.923 493 T HN 0.472 nan 8.240 nan 0.000 0.468 494 S N 3.017 118.654 115.700 -0.106 0.000 2.532 494 S HA 0.635 5.104 4.470 -0.001 0.000 0.301 494 S C -0.490 174.059 174.600 -0.085 0.000 1.083 494 S CA -1.096 57.079 58.200 -0.042 0.000 1.025 494 S CB 1.209 64.420 63.200 0.019 0.000 1.056 494 S HN 0.380 nan 8.310 nan 0.000 0.494 495 R N 2.769 123.226 120.500 -0.072 0.000 2.437 495 R HA 0.547 4.887 4.340 -0.001 0.000 0.310 495 R C -0.633 175.532 176.300 -0.226 0.000 0.955 495 R CA -0.620 55.365 56.100 -0.192 0.000 0.851 495 R CB 1.087 31.308 30.300 -0.132 0.000 1.161 495 R HN 0.714 nan 8.270 nan 0.000 0.446 496 I N -0.373 119.944 120.570 -0.422 0.000 2.730 496 I HA 0.491 4.661 4.170 -0.001 0.000 0.298 496 I C -1.141 174.620 176.117 -0.594 0.000 1.089 496 I CA -1.028 60.086 61.300 -0.309 0.000 1.041 496 I CB 2.018 39.958 38.000 -0.101 0.000 1.235 496 I HN 0.508 nan 8.210 nan 0.000 0.423 497 Y N 4.339 124.569 120.300 -0.117 0.000 2.470 497 Y HA 0.398 4.948 4.550 -0.001 0.000 0.352 497 Y C -2.428 173.477 175.900 0.008 0.000 0.967 497 Y CA -1.994 55.973 58.100 -0.222 0.000 1.121 497 Y CB 0.534 38.659 38.460 -0.558 0.000 1.149 497 Y HN 0.404 nan 8.280 nan 0.000 0.641 498 P HA -0.024 nan 4.420 nan 0.000 0.269 498 P C 0.555 177.894 177.300 0.065 0.000 1.215 498 P CA 0.026 63.179 63.100 0.089 0.000 0.780 498 P CB 1.814 33.517 31.700 0.005 0.000 0.898 499 K N 1.889 122.349 120.400 0.100 0.000 2.137 499 K HA -0.088 4.231 4.320 -0.001 0.000 0.202 499 K C 2.028 178.644 176.600 0.027 0.000 1.052 499 K CA 0.877 57.221 56.287 0.095 0.000 0.961 499 K CB -0.522 32.050 32.500 0.119 0.000 0.741 499 K HN 0.419 nan 8.250 nan 0.000 0.452 500 F N 1.272 121.275 119.950 0.088 0.000 2.236 500 F HA -0.178 4.348 4.527 -0.001 0.000 0.302 500 F C 1.559 177.390 175.800 0.052 0.000 1.073 500 F CA 0.995 59.035 58.000 0.067 0.000 1.336 500 F CB -1.309 37.734 39.000 0.072 0.000 1.040 500 F HN -0.129 nan 8.300 nan 0.000 0.507 501 V N -0.460 118.984 119.914 -0.783 0.000 3.026 501 V HA -0.226 3.894 4.120 -0.001 0.000 0.265 501 V C 1.639 177.608 176.094 -0.210 0.000 1.121 501 V CA 2.100 64.097 62.300 -0.504 0.000 1.142 501 V CB -1.770 29.704 31.823 -0.583 0.000 0.730 501 V HN 0.468 nan 8.190 nan 0.000 0.503 502 N N 2.216 120.830 118.700 -0.143 0.000 2.331 502 N HA -0.063 4.676 4.740 -0.001 0.000 0.180 502 N C 1.073 176.575 175.510 -0.013 0.000 1.019 502 N CA 1.528 54.528 53.050 -0.084 0.000 0.881 502 N CB -0.140 38.321 38.487 -0.044 0.000 0.972 502 N HN 0.923 nan 8.380 nan 0.000 0.435 503 N N -1.025 117.699 118.700 0.040 0.000 2.036 503 N HA 0.037 4.776 4.740 -0.001 0.000 0.228 503 N C -1.110 174.462 175.510 0.104 0.000 1.368 503 N CA -0.258 52.830 53.050 0.063 0.000 0.846 503 N CB 0.214 38.737 38.487 0.059 0.000 1.145 503 N HN 0.267 nan 8.380 nan 0.000 0.502 504 E N -0.254 120.048 120.200 0.170 0.000 2.413 504 E HA 0.363 4.713 4.350 -0.001 0.000 0.277 504 E C -1.298 175.473 176.600 0.285 0.000 0.958 504 E CA -0.874 55.653 56.400 0.212 0.000 0.779 504 E CB 1.588 31.423 29.700 0.225 0.000 1.278 504 E HN 0.054 nan 8.360 nan 0.000 0.456 505 E N 0.450 120.768 120.200 0.197 0.000 2.390 505 E HA 0.380 4.729 4.350 -0.001 0.000 0.261 505 E C -0.331 176.405 176.600 0.227 0.000 1.076 505 E CA -0.337 56.150 56.400 0.144 0.000 0.905 505 E CB 1.113 30.802 29.700 -0.018 0.000 0.984 505 E HN 0.555 nan 8.360 nan 0.000 0.427 506 A N 2.600 125.563 122.820 0.237 0.000 2.287 506 A HA 0.374 4.694 4.320 -0.001 0.000 0.273 506 A C -0.749 176.773 177.584 -0.104 0.000 1.091 506 A CA -0.200 52.019 52.037 0.304 0.000 0.817 506 A CB 0.343 19.541 19.000 0.329 0.000 1.069 506 A HN 0.639 nan 8.150 nan 0.000 0.492 507 H N -1.508 117.541 119.070 -0.035 0.000 2.834 507 H HA 0.708 5.263 4.556 -0.001 0.000 0.369 507 H C -1.195 174.024 175.328 -0.181 0.000 1.174 507 H CA -0.529 55.406 56.048 -0.188 0.000 1.165 507 H CB 1.616 31.226 29.762 -0.253 0.000 1.820 507 H HN 0.548 nan 8.280 nan 0.000 0.558 508 L N 1.782 122.807 121.223 -0.330 0.000 2.410 508 L HA 0.579 4.918 4.340 -0.001 0.000 0.270 508 L C -1.916 174.698 176.870 -0.426 0.000 0.983 508 L CA -0.315 54.406 54.840 -0.198 0.000 0.822 508 L CB 0.568 42.551 42.059 -0.127 0.000 1.285 508 L HN 0.530 nan 8.230 nan 0.000 0.409 509 F N 3.386 123.374 119.950 0.062 0.000 2.613 509 F HA 0.758 5.285 4.527 -0.001 0.000 0.314 509 F C -0.437 175.470 175.800 0.178 0.000 1.075 509 F CA -1.029 57.022 58.000 0.085 0.000 0.945 509 F CB 2.289 41.330 39.000 0.067 0.000 1.310 509 F HN 0.105 nan 8.300 nan 0.000 0.467 510 V N 2.390 122.554 119.914 0.416 0.000 2.555 510 V HA 0.601 4.721 4.120 -0.001 0.000 0.302 510 V C -0.815 175.551 176.094 0.453 0.000 1.038 510 V CA -0.807 61.729 62.300 0.393 0.000 0.887 510 V CB 1.605 33.583 31.823 0.259 0.000 0.991 510 V HN 0.646 nan 8.190 nan 0.000 0.434 511 F N 2.360 122.448 119.950 0.231 0.000 2.643 511 F HA 0.841 5.367 4.527 -0.001 0.000 0.314 511 F C -0.945 174.942 175.800 0.145 0.000 1.096 511 F CA -0.964 57.122 58.000 0.143 0.000 0.953 511 F CB 2.260 41.296 39.000 0.060 0.000 1.345 511 F HN 0.392 nan 8.300 nan 0.000 0.468 512 N N 1.742 120.417 118.700 -0.042 0.000 2.594 512 N HA 0.237 4.976 4.740 -0.001 0.000 0.280 512 N C -1.587 173.932 175.510 0.015 0.000 1.156 512 N CA -0.365 52.600 53.050 -0.141 0.000 0.831 512 N CB 0.917 39.364 38.487 -0.065 0.000 1.379 512 N HN 0.741 nan 8.380 nan 0.000 0.536 513 N N 1.329 120.042 118.700 0.022 0.000 2.235 513 N HA 0.257 4.996 4.740 -0.001 0.000 0.209 513 N C 0.327 175.830 175.510 -0.012 0.000 1.122 513 N CA 0.045 53.133 53.050 0.063 0.000 0.845 513 N CB 0.458 39.019 38.487 0.123 0.000 1.004 513 N HN 0.671 nan 8.380 nan 0.000 0.499 514 G N -1.174 107.610 108.800 -0.028 0.000 2.588 514 G HA2 0.195 4.155 3.960 -0.001 0.000 0.281 514 G HA3 0.195 4.155 3.960 -0.001 0.000 0.281 514 G C 0.942 175.833 174.900 -0.015 0.000 1.236 514 G CA 0.017 45.103 45.100 -0.023 0.000 0.969 514 G HN 0.255 nan 8.290 nan 0.000 0.504 515 T N -2.542 112.005 114.554 -0.012 0.000 3.065 515 T HA 0.186 4.535 4.350 -0.001 0.000 0.252 515 T C 0.756 175.446 174.700 -0.017 0.000 1.099 515 T CA 0.279 62.373 62.100 -0.010 0.000 1.063 515 T CB 0.230 69.097 68.868 -0.002 0.000 0.948 515 T HN 0.288 nan 8.240 nan 0.000 0.506 516 Q N 1.787 121.572 119.800 -0.026 0.000 2.214 516 Q HA 0.386 4.726 4.340 -0.001 0.000 0.251 516 Q C -0.426 175.533 176.000 -0.067 0.000 0.936 516 Q CA -0.511 55.267 55.803 -0.042 0.000 0.894 516 Q CB 1.214 29.924 28.738 -0.046 0.000 1.252 516 Q HN 0.283 nan 8.270 nan 0.000 0.448 517 N N 0.673 119.330 118.700 -0.072 0.000 2.525 517 N HA 0.301 5.040 4.740 -0.001 0.000 0.271 517 N C -0.854 174.569 175.510 -0.146 0.000 1.194 517 N CA 0.060 53.058 53.050 -0.085 0.000 0.964 517 N CB 1.001 39.452 38.487 -0.059 0.000 1.126 517 N HN 0.363 nan 8.380 nan 0.000 0.452 518 V N -0.553 119.258 119.914 -0.172 0.000 3.007 518 V HA 0.623 4.743 4.120 -0.001 0.000 0.311 518 V C -0.679 175.348 176.094 -0.112 0.000 1.120 518 V CA -1.036 61.110 62.300 -0.256 0.000 0.980 518 V CB 1.848 33.317 31.823 -0.590 0.000 1.033 518 V HN 0.628 nan 8.190 nan 0.000 0.429 519 K N 2.829 123.186 120.400 -0.071 0.000 2.270 519 K HA 0.719 5.038 4.320 -0.001 0.000 0.255 519 K C -1.145 175.461 176.600 0.010 0.000 0.936 519 K CA -0.772 55.504 56.287 -0.020 0.000 0.809 519 K CB 1.931 34.407 32.500 -0.040 0.000 1.131 519 K HN 0.828 nan 8.250 nan 0.000 0.427 520 I N 4.796 125.353 120.570 -0.022 0.000 2.308 520 I HA 0.026 4.196 4.170 -0.001 0.000 0.293 520 I C 1.138 177.190 176.117 -0.108 0.000 1.078 520 I CA -0.214 61.008 61.300 -0.130 0.000 1.292 520 I CB 1.258 39.187 38.000 -0.119 0.000 1.423 520 I HN 0.877 nan 8.210 nan 0.000 0.493 521 S N 4.301 119.931 115.700 -0.117 0.000 2.377 521 S HA 0.113 4.582 4.470 -0.001 0.000 0.223 521 S C 0.732 175.282 174.600 -0.084 0.000 1.030 521 S CA 0.464 58.617 58.200 -0.080 0.000 0.970 521 S CB 0.280 63.442 63.200 -0.063 0.000 0.830 521 S HN 0.634 nan 8.310 nan 0.000 0.473 522 E N 0.086 120.220 120.200 -0.111 0.000 2.343 522 E HA 0.449 4.799 4.350 -0.001 0.000 0.278 522 E C -1.806 174.720 176.600 -0.125 0.000 0.910 522 E CA -0.364 55.978 56.400 -0.095 0.000 0.757 522 E CB 2.121 31.785 29.700 -0.060 0.000 1.218 522 E HN 0.288 nan 8.360 nan 0.000 0.435 523 M N 2.176 121.706 119.600 -0.118 0.000 2.238 523 M HA 0.302 4.782 4.480 -0.001 0.000 0.278 523 M C -1.774 174.427 176.300 -0.165 0.000 1.040 523 M CA -0.303 54.921 55.300 -0.126 0.000 0.969 523 M CB 1.846 34.372 32.600 -0.124 0.000 1.694 523 M HN 0.302 nan 8.290 nan 0.000 0.472 524 S N 3.058 118.643 115.700 -0.192 0.000 2.519 524 S HA 0.887 5.356 4.470 -0.001 0.000 0.309 524 S C -0.722 173.614 174.600 -0.439 0.000 1.100 524 S CA -0.671 57.266 58.200 -0.438 0.000 1.059 524 S CB 1.713 64.587 63.200 -0.543 0.000 1.008 524 S HN 0.716 nan 8.310 nan 0.000 0.478 525 A N 3.425 125.918 122.820 -0.546 0.000 2.356 525 A HA 0.797 5.116 4.320 -0.001 0.000 0.310 525 A C -1.416 175.935 177.584 -0.388 0.000 1.075 525 A CA -0.654 51.207 52.037 -0.293 0.000 0.746 525 A CB 1.118 20.022 19.000 -0.160 0.000 1.221 525 A HN 0.794 nan 8.150 nan 0.000 0.443 526 W N 1.517 122.791 121.300 -0.043 0.000 2.785 526 W HA 0.423 5.082 4.660 -0.001 0.000 0.333 526 W C -0.272 176.210 176.519 -0.061 0.000 1.062 526 W CA -0.584 56.727 57.345 -0.057 0.000 1.233 526 W CB 2.469 31.880 29.460 -0.081 0.000 1.413 526 W HN 0.655 nan 8.180 nan 0.000 0.489 527 S N 3.342 119.144 115.700 0.169 0.000 2.565 527 S HA 0.394 4.863 4.470 -0.001 0.000 0.276 527 S C 0.204 174.844 174.600 0.067 0.000 1.326 527 S CA -0.303 57.951 58.200 0.089 0.000 1.045 527 S CB 0.498 63.733 63.200 0.058 0.000 0.918 527 S HN 0.174 nan 8.310 nan 0.000 0.505 528 M N 3.668 123.282 119.600 0.023 0.000 2.227 528 M HA 0.300 4.779 4.480 -0.001 0.000 0.335 528 M C 0.070 176.367 176.300 -0.004 0.000 1.053 528 M CA -0.690 54.560 55.300 -0.085 0.000 0.973 528 M CB 1.336 33.758 32.600 -0.297 0.000 1.623 528 M HN 0.647 nan 8.290 nan 0.000 0.434 529 K N 2.398 122.781 120.400 -0.028 0.000 2.138 529 K HA 0.337 4.656 4.320 -0.001 0.000 0.251 529 K C -0.388 176.255 176.600 0.072 0.000 1.015 529 K CA -0.473 55.830 56.287 0.027 0.000 0.917 529 K CB 0.846 33.348 32.500 0.003 0.000 1.021 529 K HN 0.546 nan 8.250 nan 0.000 0.485 530 N N -0.257 118.510 118.700 0.112 0.000 2.441 530 N HA 0.091 4.831 4.740 -0.001 0.000 0.251 530 N C -0.581 175.006 175.510 0.127 0.000 1.242 530 N CA -0.391 52.758 53.050 0.166 0.000 0.898 530 N CB 0.773 39.345 38.487 0.142 0.000 1.100 530 N HN 0.683 nan 8.380 nan 0.000 0.443 531 A N 1.746 124.681 122.820 0.192 0.000 2.304 531 A HA 0.245 4.564 4.320 -0.001 0.000 0.271 531 A C -0.120 177.438 177.584 -0.044 0.000 1.091 531 A CA -0.403 51.664 52.037 0.050 0.000 0.812 531 A CB 0.484 19.539 19.000 0.092 0.000 1.056 531 A HN 0.600 nan 8.150 nan 0.000 0.489 532 K N 0.292 120.570 120.400 -0.204 0.000 2.172 532 K HA 0.488 4.807 4.320 -0.001 0.000 0.276 532 K C -1.779 174.581 176.600 -0.400 0.000 1.013 532 K CA 0.273 56.464 56.287 -0.160 0.000 0.913 532 K CB 0.947 33.386 32.500 -0.101 0.000 1.055 532 K HN 0.492 nan 8.250 nan 0.000 0.461 533 F N 1.889 121.860 119.950 0.036 0.000 2.513 533 F HA 0.214 4.741 4.527 -0.001 0.000 0.358 533 F C -0.385 175.436 175.800 0.034 0.000 1.118 533 F CA -0.922 57.085 58.000 0.012 0.000 1.037 533 F CB 1.379 40.403 39.000 0.040 0.000 1.276 533 F HN 0.083 nan 8.300 nan 0.000 0.446 534 V N 4.309 124.293 119.914 0.116 0.000 2.427 534 V HA 0.434 4.554 4.120 -0.001 0.000 0.286 534 V C -0.111 176.074 176.094 0.152 0.000 1.034 534 V CA -0.874 61.495 62.300 0.115 0.000 0.893 534 V CB 1.816 33.676 31.823 0.061 0.000 0.982 534 V HN 0.368 nan 8.190 nan 0.000 0.452 535 V N 3.660 123.675 119.914 0.168 0.000 2.465 535 V HA 0.385 4.505 4.120 -0.001 0.000 0.279 535 V C -0.164 176.004 176.094 0.123 0.000 1.045 535 V CA -0.111 62.293 62.300 0.173 0.000 0.938 535 V CB 1.572 33.474 31.823 0.133 0.000 0.986 535 V HN 0.999 nan 8.190 nan 0.000 0.467 536 D N 3.730 124.203 120.400 0.123 0.000 2.621 536 D HA 0.349 4.988 4.640 -0.001 0.000 0.274 536 D C -0.113 176.255 176.300 0.114 0.000 1.215 536 D CA -0.208 53.862 54.000 0.116 0.000 0.810 536 D CB 0.626 41.507 40.800 0.136 0.000 1.248 536 D HN 0.622 nan 8.370 nan 0.000 0.517 537 Q N 0.142 120.000 119.800 0.096 0.000 3.106 537 Q HA 0.749 5.088 4.340 -0.001 0.000 0.247 537 Q C -0.072 175.972 176.000 0.072 0.000 1.033 537 Q CA -1.088 54.766 55.803 0.085 0.000 0.888 537 Q CB 1.267 30.046 28.738 0.069 0.000 1.586 537 Q HN 0.275 nan 8.270 nan 0.000 0.482 538 S N 0.000 115.736 115.700 0.059 0.000 2.498 538 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 538 S CA 0.000 58.228 58.200 0.047 0.000 1.107 538 S CB 0.000 63.225 63.200 0.042 0.000 0.593 538 S HN 0.000 nan 8.310 nan 0.000 0.517