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 3eez_1_A DATA FIRST_RESID 1 DATA SEQUENCE LKITRITVYQ VDLPLEHPYW XXXXXXKFEL LDATLVKLET DAGITGWGEG DATA SEQUENCE TPWGHTYVPA HGPGIRAGIE TMAPFVLGLD PRRLLDVERA MDIALPGHLY DATA SEQUENCE AKSPIDMACW DIAGQAAGLP IADLMGGGSR TPRPIASSVG AKSVEETRAV DATA SEQUENCE IDRYRQRGYV AHSVKIGGDV ERDIARIRDV EDIREPGEIV LYDVNRGWTR DATA SEQUENCE QQALRVMRAT EDLHVMFEQP GETLDDIAAI RPLHSAPVSV DECLVTLQDA DATA SEQUENCE ARVARDGLAE VFGIKLNRVG GLTRAARMRD IALTHGIDMF VMATGGSVLA DATA SEQUENCE DAEALHLAAT IPDHACHAVW ACQDMLTVDI AGGRGPRNID GHLHLPETPG DATA SEQUENCE LGVHPDEDAL GDPVAVYSE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.855 176.870 -0.026 0.000 1.165 1 L CA 0.000 54.827 54.840 -0.022 0.000 0.813 1 L CB 0.000 42.044 42.059 -0.024 0.000 0.961 2 K N 3.381 123.765 120.400 -0.025 0.000 2.575 2 K HA 0.709 5.030 4.320 0.002 0.000 0.279 2 K C -1.686 174.897 176.600 -0.029 0.000 0.969 2 K CA -0.913 55.357 56.287 -0.028 0.000 0.868 2 K CB 1.516 34.002 32.500 -0.024 0.000 1.457 2 K HN 0.472 nan 8.250 nan 0.000 0.426 3 I N 2.024 122.575 120.570 -0.032 0.000 2.395 3 I HA 0.149 4.320 4.170 0.002 0.000 0.289 3 I C 0.446 176.544 176.117 -0.031 0.000 1.023 3 I CA -0.370 60.910 61.300 -0.035 0.000 1.350 3 I CB 1.658 39.636 38.000 -0.037 0.000 1.409 3 I HN 0.842 nan 8.210 nan 0.000 0.507 4 T N 4.387 118.922 114.554 -0.032 0.000 2.987 4 T HA 0.213 4.564 4.350 0.002 0.000 0.248 4 T C 0.369 175.053 174.700 -0.027 0.000 0.997 4 T CA 0.150 62.233 62.100 -0.028 0.000 1.013 4 T CB 0.285 69.137 68.868 -0.026 0.000 1.077 4 T HN 0.517 nan 8.240 nan 0.000 0.483 5 R N 0.474 120.955 120.500 -0.031 0.000 2.563 5 R HA 0.489 4.830 4.340 0.002 0.000 0.262 5 R C -2.250 174.032 176.300 -0.031 0.000 1.128 5 R CA -0.470 55.614 56.100 -0.026 0.000 0.969 5 R CB 1.023 31.300 30.300 -0.038 0.000 1.251 5 R HN 0.076 nan 8.270 nan 0.000 0.442 6 I N 2.613 123.192 120.570 0.015 0.000 2.354 6 I HA 0.383 4.554 4.170 0.002 0.000 0.292 6 I C -0.290 175.838 176.117 0.018 0.000 0.989 6 I CA -0.176 61.141 61.300 0.029 0.000 1.188 6 I CB 2.316 40.373 38.000 0.095 0.000 1.342 6 I HN 0.487 nan 8.210 nan 0.000 0.457 7 T N 5.513 120.031 114.554 -0.059 0.000 2.824 7 T HA 0.619 4.970 4.350 0.002 0.000 0.282 7 T C -0.564 174.047 174.700 -0.149 0.000 0.993 7 T CA -0.530 61.477 62.100 -0.156 0.000 0.967 7 T CB 1.704 70.477 68.868 -0.160 0.000 0.960 7 T HN 0.173 nan 8.240 nan 0.000 0.441 8 V N 3.633 123.383 119.914 -0.274 0.000 2.555 8 V HA 0.608 4.729 4.120 0.002 0.000 0.302 8 V C -1.246 174.657 176.094 -0.318 0.000 1.038 8 V CA -0.931 61.294 62.300 -0.125 0.000 0.887 8 V CB 1.101 32.920 31.823 -0.007 0.000 0.991 8 V HN 0.823 nan 8.190 nan 0.000 0.434 9 Y N 1.584 121.939 120.300 0.091 0.000 2.602 9 Y HA 0.700 5.251 4.550 0.002 0.000 0.342 9 Y C 0.040 175.984 175.900 0.074 0.000 1.029 9 Y CA -0.776 57.380 58.100 0.092 0.000 1.080 9 Y CB 1.978 40.531 38.460 0.155 0.000 1.284 9 Y HN 0.442 nan 8.280 nan 0.000 0.485 10 Q N 2.000 121.932 119.800 0.219 0.000 2.285 10 Q HA 0.638 4.979 4.340 0.002 0.000 0.269 10 Q C -2.200 173.862 176.000 0.105 0.000 1.030 10 Q CA -0.645 55.234 55.803 0.126 0.000 0.788 10 Q CB 2.209 30.989 28.738 0.070 0.000 1.266 10 Q HN 0.629 nan 8.270 nan 0.000 0.438 11 V N 2.398 122.358 119.914 0.077 0.000 2.686 11 V HA 0.379 4.500 4.120 0.002 0.000 0.306 11 V C -0.894 175.215 176.094 0.025 0.000 1.065 11 V CA -1.029 61.299 62.300 0.046 0.000 0.894 11 V CB 2.192 34.033 31.823 0.031 0.000 1.004 11 V HN 0.625 nan 8.190 nan 0.000 0.424 12 D N 4.262 124.668 120.400 0.010 0.000 2.339 12 D HA 0.489 5.130 4.640 0.002 0.000 0.241 12 D C -0.336 175.957 176.300 -0.011 0.000 1.183 12 D CA 0.159 54.157 54.000 -0.004 0.000 0.859 12 D CB 1.227 42.020 40.800 -0.011 0.000 1.067 12 D HN 0.423 nan 8.370 nan 0.000 0.484 13 L N 4.893 126.107 121.223 -0.015 0.000 2.264 13 L HA 0.381 4.722 4.340 0.002 0.000 0.287 13 L C -2.222 174.630 176.870 -0.029 0.000 1.039 13 L CA -1.900 52.927 54.840 -0.021 0.000 0.829 13 L CB 0.990 43.039 42.059 -0.017 0.000 1.211 13 L HN 0.029 nan 8.230 nan 0.000 0.427 14 P HA 0.220 nan 4.420 nan 0.000 0.274 14 P C -0.641 176.647 177.300 -0.020 0.000 1.231 14 P CA -0.288 62.795 63.100 -0.029 0.000 0.790 14 P CB 0.764 32.445 31.700 -0.031 0.000 0.951 15 L N 1.640 122.856 121.223 -0.011 0.000 2.312 15 L HA 0.263 4.604 4.340 0.002 0.000 0.281 15 L C 1.939 178.805 176.870 -0.006 0.000 1.070 15 L CA -0.214 54.641 54.840 0.025 0.000 0.805 15 L CB 0.706 42.809 42.059 0.074 0.000 1.174 15 L HN 0.512 nan 8.230 nan 0.000 0.434 16 E N 1.375 121.567 120.200 -0.013 0.000 2.058 16 E HA -0.172 4.179 4.350 0.002 0.000 0.194 16 E C -0.134 176.272 176.600 -0.323 0.000 0.997 16 E CA 1.321 57.629 56.400 -0.154 0.000 0.801 16 E CB 0.196 29.824 29.700 -0.121 0.000 0.746 16 E HN 0.614 nan 8.360 nan 0.000 0.450 17 H N 0.405 119.516 119.070 0.067 0.000 2.786 17 H HA 0.302 4.859 4.556 0.002 0.000 0.284 17 H C -2.307 173.086 175.328 0.109 0.000 1.104 17 H CA -2.076 54.011 56.048 0.065 0.000 1.339 17 H CB 1.308 31.109 29.762 0.064 0.000 1.427 17 H HN 0.158 nan 8.280 nan 0.000 0.497 18 P HA -0.008 nan 4.420 nan 0.000 0.271 18 P C -0.883 176.502 177.300 0.142 0.000 1.238 18 P CA 0.026 63.174 63.100 0.079 0.000 0.794 18 P CB 0.673 32.314 31.700 -0.098 0.000 0.959 19 Y N -3.161 117.060 120.300 -0.131 0.000 2.900 19 Y HA 0.739 5.290 4.550 0.002 0.000 0.318 19 Y C -1.335 174.445 175.900 -0.200 0.000 1.457 19 Y CA -1.175 56.850 58.100 -0.125 0.000 1.082 19 Y CB 0.518 39.017 38.460 0.065 0.000 1.419 19 Y HN 0.302 nan 8.280 nan 0.000 0.459 28 F N 2.240 121.890 119.950 -0.501 0.000 2.420 28 F HA 0.314 4.842 4.527 0.001 0.000 0.352 28 F C 1.431 176.936 175.800 -0.491 0.000 1.108 28 F CA 0.006 57.633 58.000 -0.623 0.000 1.162 28 F CB 1.074 39.385 39.000 -1.148 0.000 1.118 28 F HN 0.643 nan 8.300 nan 0.000 0.510 29 E N 3.794 124.016 120.200 0.036 0.000 2.640 29 E HA 0.133 4.484 4.350 0.002 0.000 0.197 29 E C -1.429 175.168 176.600 -0.004 0.000 0.925 29 E CA 0.265 56.644 56.400 -0.034 0.000 1.604 29 E CB 0.619 30.252 29.700 -0.111 0.000 1.769 29 E HN 0.477 nan 8.360 nan 0.000 0.965 30 L N -0.561 120.666 121.223 0.005 0.000 2.556 30 L HA 0.513 4.854 4.340 0.002 0.000 0.257 30 L C -1.562 175.289 176.870 -0.030 0.000 0.955 30 L CA -0.938 53.885 54.840 -0.029 0.000 0.850 30 L CB 1.118 43.150 42.059 -0.045 0.000 1.398 30 L HN -0.155 nan 8.230 nan 0.000 0.412 31 L N 1.847 123.032 121.223 -0.063 0.000 2.264 31 L HA 0.440 4.781 4.340 0.002 0.000 0.289 31 L C -0.282 176.581 176.870 -0.013 0.000 1.044 31 L CA -0.348 54.458 54.840 -0.057 0.000 0.807 31 L CB 1.078 43.080 42.059 -0.096 0.000 1.192 31 L HN 0.708 nan 8.230 nan 0.000 0.425 32 D N 3.657 124.061 120.400 0.007 0.000 2.346 32 D HA 0.343 4.984 4.640 0.002 0.000 0.260 32 D C -0.402 175.929 176.300 0.052 0.000 1.252 32 D CA 0.108 54.124 54.000 0.026 0.000 0.895 32 D CB 1.053 41.872 40.800 0.032 0.000 1.097 32 D HN 0.556 nan 8.370 nan 0.000 0.489 33 A N 3.428 126.281 122.820 0.054 0.000 2.331 33 A HA 0.621 4.942 4.320 0.002 0.000 0.320 33 A C -0.217 177.425 177.584 0.096 0.000 1.138 33 A CA -0.739 51.344 52.037 0.077 0.000 0.790 33 A CB 1.466 20.502 19.000 0.061 0.000 1.206 33 A HN 0.462 nan 8.150 nan 0.000 0.470 34 T N 2.811 117.436 114.554 0.119 0.000 2.779 34 T HA 0.562 4.913 4.350 0.002 0.000 0.280 34 T C -0.708 174.099 174.700 0.178 0.000 0.987 34 T CA -0.065 62.120 62.100 0.141 0.000 0.966 34 T CB 0.483 69.427 68.868 0.126 0.000 0.933 34 T HN 0.384 nan 8.240 nan 0.000 0.442 35 L N 3.410 124.779 121.223 0.244 0.000 2.334 35 L HA 0.765 5.106 4.340 0.002 0.000 0.276 35 L C -0.265 176.841 176.870 0.394 0.000 1.014 35 L CA -0.709 54.326 54.840 0.325 0.000 0.815 35 L CB 1.921 44.178 42.059 0.329 0.000 1.268 35 L HN 0.383 nan 8.230 nan 0.000 0.428 36 V N 3.352 123.469 119.914 0.340 0.000 2.769 36 V HA 0.630 4.751 4.120 0.002 0.000 0.312 36 V C -0.955 175.122 176.094 -0.029 0.000 1.061 36 V CA -0.624 61.786 62.300 0.184 0.000 0.931 36 V CB 2.003 33.891 31.823 0.108 0.000 1.010 36 V HN 0.788 nan 8.190 nan 0.000 0.433 37 K N 6.821 127.048 120.400 -0.289 0.000 2.613 37 K HA 0.504 4.825 4.320 0.002 0.000 0.248 37 K C -1.826 174.530 176.600 -0.406 0.000 0.959 37 K CA -0.533 55.268 56.287 -0.811 0.000 0.855 37 K CB 1.311 32.990 32.500 -1.368 0.000 1.143 37 K HN 0.694 nan 8.250 nan 0.000 0.437 38 L N 2.410 123.439 121.223 -0.324 0.000 2.325 38 L HA 0.556 4.897 4.340 0.002 0.000 0.279 38 L C -0.005 176.767 176.870 -0.165 0.000 1.054 38 L CA -0.859 53.876 54.840 -0.176 0.000 0.804 38 L CB 1.368 43.365 42.059 -0.103 0.000 1.200 38 L HN 0.535 nan 8.230 nan 0.000 0.436 39 E N 0.692 120.829 120.200 -0.106 0.000 2.256 39 E HA 0.558 4.909 4.350 0.002 0.000 0.267 39 E C -0.923 175.648 176.600 -0.048 0.000 0.892 39 E CA -0.661 55.694 56.400 -0.075 0.000 0.775 39 E CB 2.606 32.267 29.700 -0.065 0.000 1.207 39 E HN 0.732 nan 8.360 nan 0.000 0.420 40 T N -1.775 112.760 114.554 -0.032 0.000 2.924 40 T HA 0.196 4.547 4.350 0.002 0.000 0.291 40 T C 0.512 175.202 174.700 -0.017 0.000 1.045 40 T CA -0.830 61.256 62.100 -0.024 0.000 1.015 40 T CB 1.288 70.144 68.868 -0.020 0.000 1.103 40 T HN 0.463 nan 8.240 nan 0.000 0.496 41 D N 1.153 121.544 120.400 -0.016 0.000 2.264 41 D HA -0.011 4.630 4.640 0.002 0.000 0.208 41 D C 1.906 178.202 176.300 -0.007 0.000 0.966 41 D CA 1.022 55.015 54.000 -0.012 0.000 0.864 41 D CB -0.686 40.106 40.800 -0.013 0.000 0.933 41 D HN 0.687 nan 8.370 nan 0.000 0.499 42 A N 0.107 122.924 122.820 -0.006 0.000 2.209 42 A HA 0.397 4.718 4.320 0.002 0.000 0.212 42 A C 2.036 179.623 177.584 0.004 0.000 1.158 42 A CA 0.966 53.002 52.037 -0.001 0.000 0.742 42 A CB -0.920 18.079 19.000 -0.001 0.000 0.790 42 A HN 0.623 nan 8.150 nan 0.000 0.472 43 G N -0.834 107.968 108.800 0.003 0.000 2.153 43 G HA2 -0.234 3.727 3.960 0.002 0.000 0.252 43 G HA3 -0.234 3.727 3.960 0.002 0.000 0.252 43 G C 0.066 174.980 174.900 0.022 0.000 0.994 43 G CA 0.342 45.448 45.100 0.011 0.000 0.698 43 G HN 0.541 nan 8.290 nan 0.000 0.521 44 I N 1.871 122.453 120.570 0.020 0.000 2.312 44 I HA 0.284 4.456 4.170 0.002 0.000 0.291 44 I C 0.428 176.569 176.117 0.040 0.000 1.031 44 I CA -0.106 61.216 61.300 0.037 0.000 1.293 44 I CB 1.030 39.048 38.000 0.030 0.000 1.403 44 I HN -0.001 nan 8.210 nan 0.000 0.484 45 T N 4.653 119.257 114.554 0.083 0.000 2.859 45 T HA 0.635 4.986 4.350 0.002 0.000 0.281 45 T C 0.252 175.025 174.700 0.121 0.000 1.005 45 T CA -0.622 61.508 62.100 0.051 0.000 1.025 45 T CB 1.942 70.833 68.868 0.038 0.000 0.977 45 T HN 0.812 nan 8.240 nan 0.000 0.458 46 G N 0.824 109.581 108.800 -0.072 0.000 2.563 46 G HA2 0.641 4.602 3.960 0.002 0.000 0.302 46 G HA3 0.641 4.602 3.960 0.002 0.000 0.302 46 G C -2.058 172.652 174.900 -0.316 0.000 1.301 46 G CA -0.836 44.232 45.100 -0.054 0.000 0.965 46 G HN 0.631 nan 8.290 nan 0.000 0.480 47 W N -0.382 120.802 121.300 -0.192 0.000 2.761 47 W HA 0.684 5.345 4.660 0.001 0.000 0.340 47 W C 0.321 176.820 176.519 -0.034 0.000 1.072 47 W CA -0.395 56.860 57.345 -0.149 0.000 1.215 47 W CB 2.959 32.247 29.460 -0.288 0.000 1.420 47 W HN 0.814 nan 8.180 nan 0.000 0.519 48 G N 1.015 109.977 108.800 0.271 0.000 2.612 48 G HA2 0.583 4.544 3.960 0.002 0.000 0.298 48 G HA3 0.583 4.544 3.960 0.002 0.000 0.298 48 G C -2.034 173.001 174.900 0.226 0.000 1.336 48 G CA -0.674 44.552 45.100 0.211 0.000 0.953 48 G HN 0.393 nan 8.290 nan 0.000 0.482 49 E N 0.017 120.324 120.200 0.179 0.000 2.266 49 E HA 0.657 5.008 4.350 0.002 0.000 0.268 49 E C -0.616 176.076 176.600 0.153 0.000 0.879 49 E CA -1.123 55.373 56.400 0.161 0.000 0.762 49 E CB 2.101 31.873 29.700 0.121 0.000 1.199 49 E HN 0.723 nan 8.360 nan 0.000 0.422 50 G N 1.714 110.608 108.800 0.156 0.000 2.730 50 G HA2 0.458 4.419 3.960 0.002 0.000 0.291 50 G HA3 0.458 4.419 3.960 0.002 0.000 0.291 50 G C -1.014 173.987 174.900 0.168 0.000 1.456 50 G CA -0.455 44.749 45.100 0.172 0.000 0.996 50 G HN 0.362 nan 8.290 nan 0.000 0.528 51 T N 4.864 119.524 114.554 0.177 0.000 3.209 51 T HA 0.357 4.708 4.350 0.002 0.000 0.366 51 T C -2.629 172.198 174.700 0.211 0.000 1.293 51 T CA -0.965 61.237 62.100 0.170 0.000 1.417 51 T CB 1.782 70.736 68.868 0.143 0.000 1.013 51 T HN 0.391 nan 8.240 nan 0.000 0.572 52 P HA -0.082 nan 4.420 nan 0.000 0.265 52 P C 0.089 177.540 177.300 0.252 0.000 1.187 52 P CA -0.376 62.855 63.100 0.220 0.000 0.766 52 P CB 0.853 32.652 31.700 0.164 0.000 0.820 53 W N 4.854 126.212 121.300 0.097 0.000 1.839 53 W HA 0.274 4.935 4.660 0.002 0.000 0.489 53 W C 0.533 177.080 176.519 0.046 0.000 0.789 53 W CA 1.743 59.089 57.345 0.003 0.000 1.900 53 W CB -0.860 28.502 29.460 -0.164 0.000 1.773 53 W HN 0.780 nan 8.180 nan 0.000 0.251 54 G N 2.994 111.882 108.800 0.146 0.000 2.615 54 G HA2 -0.348 3.613 3.960 0.002 0.000 0.218 54 G HA3 -0.348 3.613 3.960 0.002 0.000 0.218 54 G C -0.262 174.701 174.900 0.106 0.000 1.339 54 G CA 0.235 45.418 45.100 0.138 0.000 0.884 54 G HN 0.857 nan 8.290 nan 0.000 0.559 55 H N -2.676 116.427 119.070 0.054 0.000 2.767 55 H HA 0.534 5.091 4.556 0.002 0.000 0.260 55 H C 1.416 176.787 175.328 0.071 0.000 1.172 55 H CA 1.069 57.154 56.048 0.061 0.000 1.048 55 H CB 0.026 29.811 29.762 0.040 0.000 1.697 55 H HN 0.874 nan 8.280 nan 0.000 0.606 56 T N -4.147 110.433 114.554 0.043 0.000 2.955 56 T HA 0.027 4.378 4.350 0.002 0.000 0.251 56 T C 1.114 175.991 174.700 0.296 0.000 1.002 56 T CA -0.005 62.178 62.100 0.139 0.000 0.970 56 T CB -0.408 68.527 68.868 0.112 0.000 1.091 56 T HN 0.152 nan 8.240 nan 0.000 0.495 57 Y N 1.304 121.674 120.300 0.118 0.000 2.337 57 Y HA 0.581 5.132 4.550 0.002 0.000 0.293 57 Y C 1.085 177.025 175.900 0.068 0.000 1.123 57 Y CA -0.601 57.574 58.100 0.123 0.000 1.201 57 Y CB 0.169 38.750 38.460 0.202 0.000 1.011 57 Y HN 0.179 nan 8.280 nan 0.000 0.545 58 V N -0.395 119.644 119.914 0.209 0.000 3.147 58 V HA 0.309 4.430 4.120 0.002 0.000 0.299 58 V C -2.550 173.563 176.094 0.031 0.000 1.302 58 V CA -2.067 60.295 62.300 0.103 0.000 1.015 58 V CB 2.225 34.120 31.823 0.120 0.000 1.086 58 V HN -0.157 nan 8.190 nan 0.000 0.437 59 P HA 0.457 nan 4.420 nan 0.000 0.252 59 P C -0.868 176.260 177.300 -0.287 0.000 1.635 59 P CA 0.463 63.525 63.100 -0.063 0.000 1.206 59 P CB -0.109 31.594 31.700 0.005 0.000 1.911 60 A N 2.466 125.050 122.820 -0.394 0.000 2.577 60 A HA 0.666 4.987 4.320 0.002 0.000 0.297 60 A C -1.411 176.050 177.584 -0.205 0.000 1.060 60 A CA -0.607 50.863 52.037 -0.944 0.000 0.697 60 A CB 1.305 19.864 19.000 -0.736 0.000 1.281 60 A HN 0.523 nan 8.150 nan 0.000 0.402 61 H N 0.055 118.967 119.070 -0.264 0.000 3.046 61 H HA 0.631 5.188 4.556 0.002 0.000 0.363 61 H C 0.733 176.132 175.328 0.118 0.000 1.203 61 H CA -0.359 55.700 56.048 0.017 0.000 1.169 61 H CB 0.770 30.554 29.762 0.037 0.000 1.851 61 H HN 1.118 nan 8.280 nan 0.000 0.546 62 G N 1.547 110.380 108.800 0.054 0.000 2.766 62 G HA2 -0.283 3.678 3.960 0.002 0.000 0.222 62 G HA3 -0.283 3.678 3.960 0.002 0.000 0.222 62 G C -0.973 173.842 174.900 -0.142 0.000 1.225 62 G CA 1.301 46.398 45.100 -0.006 0.000 0.784 62 G HN 0.536 nan 8.290 nan 0.000 0.631 63 P HA -0.023 nan 4.420 nan 0.000 0.220 63 P C 1.846 178.941 177.300 -0.342 0.000 1.144 63 P CA 1.697 64.633 63.100 -0.274 0.000 0.800 63 P CB -0.418 31.156 31.700 -0.211 0.000 0.772 64 G N -1.194 107.213 108.800 -0.656 0.000 2.494 64 G HA2 -0.083 3.878 3.960 0.002 0.000 0.216 64 G HA3 -0.083 3.878 3.960 0.002 0.000 0.216 64 G C 1.388 176.323 174.900 0.059 0.000 1.140 64 G CA 0.160 45.137 45.100 -0.204 0.000 0.801 64 G HN 0.238 nan 8.290 nan 0.000 0.536 65 I N -0.064 120.562 120.570 0.094 0.000 2.296 65 I HA -0.011 4.160 4.170 0.002 0.000 0.242 65 I C 2.894 179.012 176.117 0.002 0.000 1.087 65 I CA 0.446 61.779 61.300 0.055 0.000 1.393 65 I CB -0.209 37.879 38.000 0.146 0.000 1.093 65 I HN -0.017 nan 8.210 nan 0.000 0.421 66 R N 1.104 121.611 120.500 0.011 0.000 2.117 66 R HA -0.187 4.154 4.340 0.002 0.000 0.243 66 R C 2.420 178.724 176.300 0.007 0.000 1.143 66 R CA 1.606 57.719 56.100 0.022 0.000 0.968 66 R CB -0.555 29.753 30.300 0.014 0.000 0.863 66 R HN 0.408 nan 8.270 nan 0.000 0.444 67 A N 0.821 123.624 122.820 -0.029 0.000 1.858 67 A HA -0.080 4.241 4.320 0.002 0.000 0.216 67 A C 2.440 179.977 177.584 -0.078 0.000 1.190 67 A CA 1.723 53.737 52.037 -0.038 0.000 0.617 67 A CB -1.361 17.617 19.000 -0.036 0.000 0.827 67 A HN 0.451 nan 8.150 nan 0.000 0.443 68 G N 0.442 109.167 108.800 -0.124 0.000 2.574 68 G HA2 -0.328 3.633 3.960 0.002 0.000 0.220 68 G HA3 -0.328 3.633 3.960 0.002 0.000 0.220 68 G C 1.516 176.331 174.900 -0.142 0.000 1.173 68 G CA 1.454 46.444 45.100 -0.183 0.000 0.772 68 G HN 0.522 nan 8.290 nan 0.000 0.585 69 I N 0.402 120.904 120.570 -0.114 0.000 2.151 69 I HA -0.210 3.961 4.170 0.002 0.000 0.243 69 I C 2.637 178.553 176.117 -0.334 0.000 1.080 69 I CA 1.632 62.836 61.300 -0.160 0.000 1.339 69 I CB -0.441 37.522 38.000 -0.063 0.000 1.039 69 I HN 0.320 nan 8.210 nan 0.000 0.409 70 E N 0.934 120.998 120.200 -0.227 0.000 2.048 70 E HA -0.278 4.073 4.350 0.002 0.000 0.202 70 E C 2.157 178.604 176.600 -0.255 0.000 1.021 70 E CA 2.534 58.779 56.400 -0.259 0.000 0.825 70 E CB -0.075 29.629 29.700 0.008 0.000 0.756 70 E HN 0.405 nan 8.360 nan 0.000 0.454 71 T N 0.497 114.976 114.554 -0.126 0.000 2.788 71 T HA -0.165 4.186 4.350 0.002 0.000 0.268 71 T C 1.746 176.470 174.700 0.040 0.000 1.044 71 T CA 1.597 63.675 62.100 -0.038 0.000 1.139 71 T CB -0.148 68.703 68.868 -0.028 0.000 0.867 71 T HN 0.186 nan 8.240 nan 0.000 0.454 72 M N 0.175 119.752 119.600 -0.038 0.000 2.388 72 M HA 0.223 4.704 4.480 0.002 0.000 0.265 72 M C 2.299 178.600 176.300 0.002 0.000 1.088 72 M CA 0.583 55.920 55.300 0.062 0.000 1.134 72 M CB -0.154 32.428 32.600 -0.029 0.000 1.384 72 M HN 0.255 nan 8.290 nan 0.000 0.447 73 A N 1.396 124.056 122.820 -0.266 0.000 1.869 73 A HA -0.156 4.165 4.320 0.002 0.000 0.218 73 A C -0.401 177.001 177.584 -0.303 0.000 1.203 73 A CA 1.961 53.766 52.037 -0.387 0.000 0.638 73 A CB -2.258 16.184 19.000 -0.929 0.000 0.831 73 A HN 0.377 nan 8.150 nan 0.000 0.450 74 P HA -0.150 nan 4.420 nan 0.000 0.217 74 P C 0.816 177.801 177.300 -0.525 0.000 1.148 74 P CA 1.217 64.000 63.100 -0.529 0.000 0.828 74 P CB -0.212 31.016 31.700 -0.788 0.000 0.783 75 F N -2.238 117.661 119.950 -0.084 0.000 2.710 75 F HA -0.019 4.509 4.527 0.003 0.000 0.298 75 F C 2.007 177.770 175.800 -0.061 0.000 1.137 75 F CA 0.501 58.463 58.000 -0.064 0.000 1.444 75 F CB -1.113 37.851 39.000 -0.060 0.000 1.111 75 F HN -0.236 nan 8.300 nan 0.000 0.580 76 V N -0.760 119.184 119.914 0.049 0.000 2.795 76 V HA 0.024 4.145 4.120 0.002 0.000 0.243 76 V C 1.146 177.227 176.094 -0.021 0.000 1.069 76 V CA 0.053 62.360 62.300 0.011 0.000 1.089 76 V CB -0.322 31.496 31.823 -0.008 0.000 0.756 76 V HN -0.033 nan 8.190 nan 0.000 0.471 77 L N 1.367 122.562 121.223 -0.047 0.000 2.536 77 L HA 0.257 4.598 4.340 0.002 0.000 0.294 77 L C 1.639 178.487 176.870 -0.036 0.000 1.257 77 L CA 1.966 56.778 54.840 -0.046 0.000 0.850 77 L CB -0.749 41.273 42.059 -0.062 0.000 1.105 77 L HN 0.489 nan 8.230 nan 0.000 0.517 78 G N 1.927 110.708 108.800 -0.032 0.000 2.458 78 G HA2 -0.278 3.683 3.960 0.002 0.000 0.237 78 G HA3 -0.278 3.683 3.960 0.002 0.000 0.237 78 G C 0.516 175.403 174.900 -0.022 0.000 1.113 78 G CA 0.339 45.424 45.100 -0.026 0.000 0.655 78 G HN 0.480 nan 8.290 nan 0.000 0.513 79 L N 1.111 122.321 121.223 -0.021 0.000 2.474 79 L HA 0.344 4.685 4.340 0.002 0.000 0.259 79 L C 0.502 177.352 176.870 -0.034 0.000 1.232 79 L CA -0.294 54.532 54.840 -0.023 0.000 0.821 79 L CB 0.279 42.325 42.059 -0.022 0.000 1.108 79 L HN 0.215 nan 8.230 nan 0.000 0.495 80 D N 2.036 122.411 120.400 -0.041 0.000 2.339 80 D HA 0.112 4.753 4.640 0.002 0.000 0.241 80 D C -1.584 174.672 176.300 -0.074 0.000 1.183 80 D CA -1.905 52.065 54.000 -0.051 0.000 0.859 80 D CB 1.476 42.246 40.800 -0.049 0.000 1.067 80 D HN 0.182 nan 8.370 nan 0.000 0.484 81 P HA -0.155 nan 4.420 nan 0.000 0.217 81 P C 0.688 177.893 177.300 -0.159 0.000 1.148 81 P CA 0.879 63.919 63.100 -0.100 0.000 0.828 81 P CB 0.210 31.866 31.700 -0.073 0.000 0.783 82 R N -0.431 119.982 120.500 -0.145 0.000 2.328 82 R HA 0.105 4.446 4.340 0.002 0.000 0.206 82 R C 0.758 176.930 176.300 -0.212 0.000 0.990 82 R CA 0.182 56.167 56.100 -0.191 0.000 1.085 82 R CB -0.291 29.936 30.300 -0.122 0.000 0.998 82 R HN 0.138 nan 8.270 nan 0.000 0.484 83 R N 0.688 121.075 120.500 -0.188 0.000 2.868 83 R HA 0.178 4.519 4.340 0.002 0.000 0.289 83 R C 0.368 176.570 176.300 -0.163 0.000 1.443 83 R CA -0.195 55.813 56.100 -0.153 0.000 1.651 83 R CB 0.511 30.756 30.300 -0.093 0.000 1.242 83 R HN 0.063 nan 8.270 nan 0.000 0.621 84 L N 0.532 121.605 121.223 -0.250 0.000 2.265 84 L HA -0.158 4.183 4.340 0.002 0.000 0.215 84 L C 1.676 178.496 176.870 -0.083 0.000 1.117 84 L CA 1.351 56.056 54.840 -0.226 0.000 0.782 84 L CB -0.196 41.616 42.059 -0.413 0.000 0.914 84 L HN 0.481 nan 8.230 nan 0.000 0.441 85 L N -0.927 120.261 121.223 -0.058 0.000 2.240 85 L HA -0.114 4.227 4.340 0.002 0.000 0.211 85 L C 1.942 178.799 176.870 -0.021 0.000 1.106 85 L CA 0.601 55.431 54.840 -0.016 0.000 0.793 85 L CB -0.488 41.569 42.059 -0.003 0.000 0.927 85 L HN 0.256 nan 8.230 nan 0.000 0.446 86 D N -0.148 120.230 120.400 -0.037 0.000 2.103 86 D HA -0.113 4.528 4.640 0.002 0.000 0.199 86 D C 2.392 178.677 176.300 -0.026 0.000 0.978 86 D CA 0.942 54.924 54.000 -0.029 0.000 0.829 86 D CB -0.222 40.557 40.800 -0.034 0.000 0.981 86 D HN 0.003 nan 8.370 nan 0.000 0.464 87 V N 1.380 121.270 119.914 -0.039 0.000 2.252 87 V HA -0.276 3.845 4.120 0.002 0.000 0.249 87 V C 2.494 178.582 176.094 -0.010 0.000 1.056 87 V CA 2.103 64.386 62.300 -0.028 0.000 1.022 87 V CB -0.494 31.300 31.823 -0.048 0.000 0.641 87 V HN 0.261 nan 8.190 nan 0.000 0.445 88 E N -0.161 120.035 120.200 -0.006 0.000 2.058 88 E HA -0.290 4.061 4.350 0.002 0.000 0.194 88 E C 2.392 178.992 176.600 -0.000 0.000 0.997 88 E CA 1.579 57.986 56.400 0.010 0.000 0.801 88 E CB -0.042 29.675 29.700 0.028 0.000 0.746 88 E HN 0.391 nan 8.360 nan 0.000 0.450 89 R N 0.012 120.508 120.500 -0.007 0.000 2.115 89 R HA -0.014 4.327 4.340 0.002 0.000 0.230 89 R C 2.118 178.400 176.300 -0.030 0.000 1.111 89 R CA 1.221 57.312 56.100 -0.016 0.000 0.976 89 R CB -0.385 29.907 30.300 -0.013 0.000 0.870 89 R HN 0.262 nan 8.270 nan 0.000 0.445 90 A N 0.133 122.940 122.820 -0.021 0.000 1.902 90 A HA -0.171 4.150 4.320 0.002 0.000 0.217 90 A C 2.108 179.667 177.584 -0.041 0.000 1.181 90 A CA 1.478 53.502 52.037 -0.021 0.000 0.623 90 A CB -0.398 18.617 19.000 0.025 0.000 0.818 90 A HN 0.229 nan 8.150 nan 0.000 0.443 91 M N -0.647 118.943 119.600 -0.018 0.000 2.117 91 M HA -0.155 4.326 4.480 0.002 0.000 0.262 91 M C 1.605 177.875 176.300 -0.050 0.000 1.065 91 M CA 1.699 56.986 55.300 -0.022 0.000 1.114 91 M CB -0.542 32.057 32.600 -0.002 0.000 1.361 91 M HN 0.328 nan 8.290 nan 0.000 0.408 92 D N 0.742 121.119 120.400 -0.040 0.000 2.084 92 D HA -0.107 4.534 4.640 0.002 0.000 0.194 92 D C 1.872 178.129 176.300 -0.072 0.000 0.990 92 D CA 1.335 55.312 54.000 -0.038 0.000 0.826 92 D CB -0.392 40.396 40.800 -0.021 0.000 0.971 92 D HN 0.311 nan 8.370 nan 0.000 0.453 93 I N 1.216 121.727 120.570 -0.100 0.000 2.151 93 I HA -0.337 3.834 4.170 0.002 0.000 0.243 93 I C 2.444 178.410 176.117 -0.252 0.000 1.080 93 I CA 1.376 62.586 61.300 -0.150 0.000 1.339 93 I CB -0.268 37.638 38.000 -0.156 0.000 1.039 93 I HN -0.053 nan 8.210 nan 0.000 0.409 94 A N -0.091 122.518 122.820 -0.351 0.000 1.908 94 A HA -0.104 4.217 4.320 0.002 0.000 0.218 94 A C 1.158 178.579 177.584 -0.271 0.000 1.181 94 A CA 1.445 53.155 52.037 -0.545 0.000 0.627 94 A CB -0.223 18.513 19.000 -0.440 0.000 0.818 94 A HN 0.391 nan 8.150 nan 0.000 0.445 95 L N -0.821 120.321 121.223 -0.135 0.000 2.673 95 L HA 0.400 4.741 4.340 0.002 0.000 0.255 95 L C -3.006 173.881 176.870 0.029 0.000 1.015 95 L CA -1.600 53.213 54.840 -0.045 0.000 0.930 95 L CB 1.686 43.711 42.059 -0.057 0.000 1.185 95 L HN -0.129 nan 8.230 nan 0.000 0.457 96 P HA 0.375 nan 4.420 nan 0.000 0.269 96 P C 0.667 178.009 177.300 0.071 0.000 1.217 96 P CA 1.254 64.374 63.100 0.033 0.000 0.783 96 P CB 0.624 32.331 31.700 0.011 0.000 0.898 97 G N 1.423 110.225 108.800 0.004 0.000 2.566 97 G HA2 -0.326 3.636 3.960 0.002 0.000 0.280 97 G HA3 -0.326 3.636 3.960 0.002 0.000 0.280 97 G C -0.530 174.359 174.900 -0.019 0.000 1.225 97 G CA 0.513 45.574 45.100 -0.064 0.000 0.966 97 G HN 0.778 nan 8.290 nan 0.000 0.560 98 H N -1.090 117.969 119.070 -0.018 0.000 2.527 98 H HA -0.127 4.430 4.556 0.003 0.000 0.321 98 H C 1.675 176.862 175.328 -0.236 0.000 1.092 98 H CA 0.610 56.549 56.048 -0.182 0.000 1.118 98 H CB -1.454 28.163 29.762 -0.241 0.000 1.536 98 H HN 0.565 nan 8.280 nan 0.000 0.407 99 L N -0.754 120.480 121.223 0.018 0.000 2.291 99 L HA -0.137 4.204 4.340 0.002 0.000 0.214 99 L C 2.372 179.291 176.870 0.082 0.000 1.120 99 L CA 1.237 56.109 54.840 0.052 0.000 0.799 99 L CB -0.463 41.650 42.059 0.091 0.000 0.925 99 L HN 0.600 nan 8.230 nan 0.000 0.446 100 Y N -1.070 119.304 120.300 0.124 0.000 2.509 100 Y HA 0.165 4.715 4.550 0.001 0.000 0.293 100 Y C 2.248 178.223 175.900 0.125 0.000 1.133 100 Y CA 0.545 58.723 58.100 0.129 0.000 1.283 100 Y CB -0.673 37.876 38.460 0.147 0.000 1.001 100 Y HN 0.012 nan 8.280 nan 0.000 0.555 101 A N 0.909 123.510 122.820 -0.364 0.000 2.147 101 A HA 0.118 4.439 4.320 0.002 0.000 0.211 101 A C 1.921 179.460 177.584 -0.075 0.000 1.160 101 A CA 0.327 52.222 52.037 -0.237 0.000 0.781 101 A CB -0.165 18.594 19.000 -0.401 0.000 0.842 101 A HN 0.460 nan 8.150 nan 0.000 0.475 102 K N -0.102 120.275 120.400 -0.038 0.000 2.352 102 K HA 0.036 4.357 4.320 0.002 0.000 0.194 102 K C 2.097 178.732 176.600 0.059 0.000 1.038 102 K CA 0.803 57.096 56.287 0.010 0.000 1.023 102 K CB 0.083 32.592 32.500 0.015 0.000 0.840 102 K HN 0.404 nan 8.250 nan 0.000 0.519 103 S N 2.379 118.129 115.700 0.084 0.000 2.348 103 S HA -0.057 4.414 4.470 0.002 0.000 0.221 103 S C -0.843 173.831 174.600 0.124 0.000 1.033 103 S CA 1.091 59.361 58.200 0.117 0.000 1.010 103 S CB -0.821 62.462 63.200 0.138 0.000 0.891 103 S HN -0.018 nan 8.310 nan 0.000 0.442 104 P HA 0.010 nan 4.420 nan 0.000 0.217 104 P C 1.498 178.865 177.300 0.111 0.000 1.150 104 P CA 1.005 64.181 63.100 0.128 0.000 0.832 104 P CB -0.172 31.607 31.700 0.132 0.000 0.787 105 I N -0.154 120.466 120.570 0.083 0.000 2.179 105 I HA -0.278 3.893 4.170 0.002 0.000 0.242 105 I C 2.208 178.375 176.117 0.084 0.000 1.088 105 I CA 1.947 63.283 61.300 0.060 0.000 1.357 105 I CB -0.649 37.370 38.000 0.031 0.000 1.051 105 I HN -0.016 nan 8.210 nan 0.000 0.409 106 D N 0.542 121.012 120.400 0.116 0.000 2.117 106 D HA -0.267 4.374 4.640 0.002 0.000 0.197 106 D C 2.293 178.765 176.300 0.285 0.000 0.987 106 D CA 1.344 55.456 54.000 0.187 0.000 0.829 106 D CB 0.025 40.951 40.800 0.210 0.000 0.961 106 D HN 0.188 nan 8.370 nan 0.000 0.460 107 M N 0.334 120.067 119.600 0.223 0.000 2.286 107 M HA -0.247 4.234 4.480 0.002 0.000 0.262 107 M C 2.226 178.651 176.300 0.209 0.000 1.071 107 M CA 2.312 57.740 55.300 0.213 0.000 1.091 107 M CB -0.415 32.283 32.600 0.164 0.000 1.260 107 M HN 0.144 nan 8.290 nan 0.000 0.442 108 A N -0.102 122.809 122.820 0.151 0.000 1.906 108 A HA -0.334 3.987 4.320 0.002 0.000 0.222 108 A C 2.268 179.904 177.584 0.087 0.000 1.282 108 A CA 2.466 54.561 52.037 0.096 0.000 0.675 108 A CB -1.894 17.119 19.000 0.022 0.000 0.838 108 A HN 0.809 nan 8.150 nan 0.000 0.469 109 C N -3.318 116.021 119.300 0.064 0.000 2.401 109 C HA -0.186 4.275 4.460 0.002 0.000 0.276 109 C C 2.405 177.378 174.990 -0.027 0.000 1.233 109 C CA 0.876 59.886 59.018 -0.012 0.000 1.753 109 C CB -1.762 25.935 27.740 -0.072 0.000 2.029 109 C HN 0.789 nan 8.230 nan 0.000 0.478 110 W N 0.833 122.139 121.300 0.010 0.000 2.333 110 W HA -0.150 4.510 4.660 0.001 0.000 0.316 110 W C 2.375 178.893 176.519 -0.002 0.000 1.215 110 W CA 1.797 59.142 57.345 -0.000 0.000 1.278 110 W CB -0.616 28.840 29.460 -0.007 0.000 1.154 110 W HN 0.311 nan 8.180 nan 0.000 0.486 111 D N 0.259 120.815 120.400 0.260 0.000 2.133 111 D HA -0.224 4.417 4.640 0.002 0.000 0.192 111 D C 1.824 178.214 176.300 0.149 0.000 1.001 111 D CA 1.854 55.968 54.000 0.189 0.000 0.844 111 D CB -0.433 40.490 40.800 0.205 0.000 0.944 111 D HN 0.119 nan 8.370 nan 0.000 0.447 112 I N 0.681 121.312 120.570 0.101 0.000 2.099 112 I HA -0.272 3.899 4.170 0.002 0.000 0.239 112 I C 2.572 178.710 176.117 0.035 0.000 1.066 112 I CA 1.484 62.819 61.300 0.059 0.000 1.324 112 I CB -0.389 37.618 38.000 0.012 0.000 1.037 112 I HN 0.025 nan 8.210 nan 0.000 0.401 113 A N 0.568 123.386 122.820 -0.004 0.000 1.978 113 A HA -0.150 4.171 4.320 0.002 0.000 0.220 113 A C 2.373 179.981 177.584 0.040 0.000 1.170 113 A CA 1.941 53.959 52.037 -0.032 0.000 0.636 113 A CB -1.514 17.387 19.000 -0.164 0.000 0.810 113 A HN 0.511 nan 8.150 nan 0.000 0.448 114 G N -0.689 108.173 108.800 0.103 0.000 2.484 114 G HA2 -0.234 3.727 3.960 0.002 0.000 0.215 114 G HA3 -0.234 3.727 3.960 0.002 0.000 0.215 114 G C 1.549 176.497 174.900 0.079 0.000 1.219 114 G CA 0.983 46.156 45.100 0.120 0.000 0.791 114 G HN 0.620 nan 8.290 nan 0.000 0.550 115 Q N 0.416 120.261 119.800 0.074 0.000 2.112 115 Q HA -0.067 4.274 4.340 0.002 0.000 0.206 115 Q C 2.934 178.959 176.000 0.040 0.000 0.987 115 Q CA 1.491 57.328 55.803 0.056 0.000 0.858 115 Q CB -0.362 28.412 28.738 0.060 0.000 0.905 115 Q HN 0.466 nan 8.270 nan 0.000 0.420 116 A N 1.032 123.872 122.820 0.034 0.000 1.972 116 A HA -0.074 4.247 4.320 0.002 0.000 0.219 116 A C 2.175 179.771 177.584 0.020 0.000 1.169 116 A CA 1.541 53.590 52.037 0.019 0.000 0.635 116 A CB -0.593 18.410 19.000 0.005 0.000 0.810 116 A HN 0.391 nan 8.150 nan 0.000 0.446 117 A N -1.313 121.524 122.820 0.028 0.000 2.251 117 A HA 0.425 4.746 4.320 0.002 0.000 0.209 117 A C 1.604 179.211 177.584 0.038 0.000 1.187 117 A CA 0.973 53.030 52.037 0.033 0.000 0.823 117 A CB -1.105 17.922 19.000 0.045 0.000 0.846 117 A HN 1.872 nan 8.150 nan 0.000 0.486 118 G N -0.469 108.354 108.800 0.038 0.000 2.371 118 G HA2 -0.190 3.771 3.960 0.002 0.000 0.299 118 G HA3 -0.190 3.771 3.960 0.002 0.000 0.299 118 G C -0.290 174.637 174.900 0.046 0.000 1.014 118 G CA 0.797 45.920 45.100 0.037 0.000 1.097 118 G HN 0.594 nan 8.290 nan 0.000 0.512 119 L N -0.234 121.024 121.223 0.058 0.000 2.472 119 L HA 0.457 4.798 4.340 0.002 0.000 0.260 119 L C -2.409 174.509 176.870 0.079 0.000 0.963 119 L CA -2.458 52.424 54.840 0.070 0.000 0.829 119 L CB 3.037 45.143 42.059 0.078 0.000 1.348 119 L HN -0.066 nan 8.230 nan 0.000 0.408 120 P HA 0.179 nan 4.420 nan 0.000 0.275 120 P C 1.028 178.361 177.300 0.055 0.000 1.228 120 P CA -0.461 62.714 63.100 0.125 0.000 0.786 120 P CB 0.740 32.570 31.700 0.216 0.000 0.927 121 I N 1.596 122.028 120.570 -0.229 0.000 2.103 121 I HA -0.370 3.801 4.170 0.002 0.000 0.241 121 I C 2.127 178.205 176.117 -0.065 0.000 1.036 121 I CA 2.720 63.817 61.300 -0.339 0.000 1.300 121 I CB -2.005 35.429 38.000 -0.944 0.000 1.010 121 I HN 0.398 nan 8.210 nan 0.000 0.406 122 A N 0.361 123.347 122.820 0.276 0.000 1.948 122 A HA -0.247 4.074 4.320 0.002 0.000 0.220 122 A C 1.968 179.601 177.584 0.081 0.000 1.177 122 A CA 2.258 54.407 52.037 0.187 0.000 0.636 122 A CB -0.614 18.513 19.000 0.211 0.000 0.815 122 A HN 0.470 nan 8.150 nan 0.000 0.449 123 D N -0.827 119.633 120.400 0.100 0.000 2.149 123 D HA -0.062 4.579 4.640 0.002 0.000 0.201 123 D C 1.794 178.143 176.300 0.082 0.000 0.972 123 D CA 0.994 55.041 54.000 0.077 0.000 0.835 123 D CB -0.292 40.555 40.800 0.078 0.000 0.966 123 D HN 0.381 nan 8.370 nan 0.000 0.476 124 L N 0.199 121.486 121.223 0.106 0.000 2.217 124 L HA 0.051 4.392 4.340 0.002 0.000 0.211 124 L C 1.900 178.895 176.870 0.209 0.000 1.107 124 L CA 1.090 56.034 54.840 0.173 0.000 0.783 124 L CB -0.215 41.999 42.059 0.258 0.000 0.919 124 L HN -0.078 nan 8.230 nan 0.000 0.442 125 M N -1.443 118.204 119.600 0.079 0.000 2.628 125 M HA 0.192 4.673 4.480 0.002 0.000 0.232 125 M C 1.195 177.516 176.300 0.035 0.000 1.128 125 M CA 0.821 56.114 55.300 -0.013 0.000 1.040 125 M CB -0.006 32.428 32.600 -0.277 0.000 1.608 125 M HN 0.495 nan 8.290 nan 0.000 0.507 126 G N -0.229 108.607 108.800 0.059 0.000 2.367 126 G HA2 0.006 3.967 3.960 0.002 0.000 0.181 126 G HA3 0.006 3.967 3.960 0.002 0.000 0.181 126 G C 0.320 175.244 174.900 0.039 0.000 1.000 126 G CA -0.497 44.634 45.100 0.051 0.000 0.693 126 G HN 0.776 nan 8.290 nan 0.000 0.480 127 G N -1.056 107.766 108.800 0.037 0.000 3.326 127 G HA2 0.580 4.541 3.960 0.002 0.000 0.681 127 G HA3 0.580 4.541 3.960 0.002 0.000 0.681 127 G C 0.071 174.986 174.900 0.026 0.000 1.255 127 G CA 0.555 45.676 45.100 0.035 0.000 0.976 127 G HN 1.884 nan 8.290 nan 0.000 0.563 128 G N -0.134 108.685 108.800 0.031 0.000 2.453 128 G HA2 0.811 4.772 3.960 0.002 0.000 0.323 128 G HA3 0.811 4.772 3.960 0.002 0.000 0.323 128 G C 0.152 175.058 174.900 0.011 0.000 1.198 128 G CA 0.453 45.564 45.100 0.019 0.000 0.959 128 G HN 1.616 nan 8.290 nan 0.000 0.482 129 S N -0.525 115.173 115.700 -0.003 0.000 2.565 129 S HA 0.271 4.742 4.470 0.002 0.000 0.276 129 S C 1.174 175.773 174.600 -0.003 0.000 1.326 129 S CA -0.415 57.783 58.200 -0.003 0.000 1.045 129 S CB 0.904 64.097 63.200 -0.012 0.000 0.918 129 S HN 0.462 nan 8.310 nan 0.000 0.505 130 R N 1.728 122.234 120.500 0.009 0.000 2.334 130 R HA 0.213 4.554 4.340 0.002 0.000 0.216 130 R C 0.231 176.549 176.300 0.029 0.000 0.905 130 R CA 0.139 56.252 56.100 0.022 0.000 1.064 130 R CB -0.204 30.114 30.300 0.030 0.000 1.046 130 R HN 0.618 nan 8.270 nan 0.000 0.508 131 T N 3.835 118.397 114.554 0.014 0.000 2.829 131 T HA 0.072 4.424 4.350 0.002 0.000 0.293 131 T C -2.329 172.371 174.700 0.000 0.000 0.970 131 T CA -0.936 61.173 62.100 0.015 0.000 1.168 131 T CB 0.603 69.476 68.868 0.009 0.000 0.911 131 T HN 0.064 nan 8.240 nan 0.000 0.535 132 P HA 0.137 nan 4.420 nan 0.000 0.262 132 P C -0.179 177.148 177.300 0.045 0.000 1.182 132 P CA -0.185 62.866 63.100 -0.082 0.000 0.761 132 P CB 0.559 32.184 31.700 -0.124 0.000 0.795 133 R N 5.012 125.468 120.500 -0.073 0.000 2.312 133 R HA 0.427 4.768 4.340 0.002 0.000 0.311 133 R C -2.163 173.953 176.300 -0.307 0.000 1.004 133 R CA -2.089 53.938 56.100 -0.122 0.000 0.902 133 R CB 0.310 30.542 30.300 -0.114 0.000 1.073 133 R HN 0.338 nan 8.270 nan 0.000 0.457 134 P HA 0.072 nan 4.420 nan 0.000 0.272 134 P C -0.630 176.497 177.300 -0.289 0.000 1.223 134 P CA 0.077 62.803 63.100 -0.624 0.000 0.784 134 P CB 0.615 32.084 31.700 -0.385 0.000 0.923 135 I N 1.025 121.468 120.570 -0.210 0.000 2.377 135 I HA 0.397 4.568 4.170 0.002 0.000 0.293 135 I C 0.450 176.639 176.117 0.121 0.000 0.987 135 I CA -0.999 60.324 61.300 0.040 0.000 1.185 135 I CB 1.538 39.626 38.000 0.146 0.000 1.341 135 I HN 0.290 nan 8.210 nan 0.000 0.455 136 A N 5.340 128.237 122.820 0.129 0.000 2.451 136 A HA 0.404 4.725 4.320 0.002 0.000 0.266 136 A C 0.656 178.221 177.584 -0.031 0.000 1.119 136 A CA -0.262 51.776 52.037 0.001 0.000 0.786 136 A CB 0.058 19.021 19.000 -0.062 0.000 1.061 136 A HN 0.835 nan 8.150 nan 0.000 0.503 137 S N 2.391 117.923 115.700 -0.280 0.000 2.602 137 S HA 0.538 5.009 4.470 0.002 0.000 0.257 137 S C 0.419 174.694 174.600 -0.541 0.000 1.250 137 S CA 0.146 57.938 58.200 -0.679 0.000 0.986 137 S CB 0.650 63.094 63.200 -1.260 0.000 1.040 137 S HN 0.992 nan 8.310 nan 0.000 0.562 138 S N -0.795 114.520 115.700 -0.642 0.000 2.619 138 S HA 0.578 5.049 4.470 0.002 0.000 0.280 138 S C -1.590 172.788 174.600 -0.369 0.000 1.150 138 S CA -0.705 57.237 58.200 -0.429 0.000 0.978 138 S CB 1.159 64.183 63.200 -0.293 0.000 1.041 138 S HN 0.668 nan 8.310 nan 0.000 0.485 139 V N 4.242 123.965 119.914 -0.318 0.000 2.340 139 V HA 0.553 4.674 4.120 0.002 0.000 0.277 139 V C 0.942 176.923 176.094 -0.187 0.000 1.017 139 V CA -0.594 61.569 62.300 -0.228 0.000 0.820 139 V CB 1.012 32.694 31.823 -0.234 0.000 1.028 139 V HN 0.911 nan 8.190 nan 0.000 0.436 140 G N 2.966 111.672 108.800 -0.157 0.000 2.606 140 G HA2 0.531 4.492 3.960 0.002 0.000 0.252 140 G HA3 0.531 4.492 3.960 0.002 0.000 0.252 140 G C 0.472 175.328 174.900 -0.074 0.000 1.206 140 G CA 0.102 45.118 45.100 -0.139 0.000 0.861 140 G HN 1.102 nan 8.290 nan 0.000 0.561 141 A N -0.673 122.123 122.820 -0.041 0.000 2.561 141 A HA 0.583 4.904 4.320 0.002 0.000 0.234 141 A C 0.716 178.308 177.584 0.014 0.000 1.055 141 A CA 1.218 53.253 52.037 -0.004 0.000 0.756 141 A CB -0.376 18.639 19.000 0.025 0.000 0.986 141 A HN 2.069 nan 8.150 nan 0.000 0.505 142 K N 1.009 121.416 120.400 0.012 0.000 2.774 142 K HA 0.602 4.923 4.320 0.002 0.000 0.283 142 K C -0.157 176.449 176.600 0.011 0.000 1.050 142 K CA -0.040 56.256 56.287 0.015 0.000 0.872 142 K CB -0.204 32.298 32.500 0.003 0.000 1.434 142 K HN 2.245 nan 8.250 nan 0.000 0.372 143 S N -0.055 115.654 115.700 0.014 0.000 2.573 143 S HA 0.442 4.913 4.470 0.002 0.000 0.277 143 S C 1.926 176.528 174.600 0.004 0.000 1.346 143 S CA 0.383 58.589 58.200 0.011 0.000 1.034 143 S CB 0.446 63.653 63.200 0.012 0.000 0.879 143 S HN 2.144 nan 8.310 nan 0.000 0.528 144 V N 1.242 121.159 119.914 0.004 0.000 2.511 144 V HA -0.167 3.954 4.120 0.002 0.000 0.257 144 V C 2.823 178.915 176.094 -0.004 0.000 1.088 144 V CA 3.185 65.485 62.300 -0.000 0.000 1.098 144 V CB -2.281 29.542 31.823 0.001 0.000 0.674 144 V HN 1.120 nan 8.190 nan 0.000 0.470 145 E N 0.003 120.202 120.200 -0.001 0.000 2.033 145 E HA -0.037 4.314 4.350 0.002 0.000 0.189 145 E C 2.177 178.774 176.600 -0.004 0.000 0.979 145 E CA 2.137 58.536 56.400 -0.001 0.000 0.802 145 E CB -1.019 28.683 29.700 0.003 0.000 0.763 145 E HN 1.056 nan 8.360 nan 0.000 0.449 146 E N 0.623 120.822 120.200 -0.001 0.000 2.268 146 E HA -0.093 4.258 4.350 0.002 0.000 0.195 146 E C 2.265 178.857 176.600 -0.014 0.000 0.995 146 E CA 1.508 57.906 56.400 -0.003 0.000 0.836 146 E CB -1.266 28.437 29.700 0.005 0.000 0.763 146 E HN 0.552 nan 8.360 nan 0.000 0.491 147 T N 0.421 114.965 114.554 -0.017 0.000 2.564 147 T HA -0.150 4.201 4.350 0.002 0.000 0.259 147 T C 2.188 176.862 174.700 -0.044 0.000 1.087 147 T CA 1.402 63.483 62.100 -0.033 0.000 1.184 147 T CB -0.299 68.553 68.868 -0.027 0.000 0.864 147 T HN 0.529 nan 8.240 nan 0.000 0.403 148 R N 1.417 121.894 120.500 -0.037 0.000 2.153 148 R HA -0.169 4.172 4.340 0.002 0.000 0.252 148 R C 2.684 178.964 176.300 -0.033 0.000 1.158 148 R CA 1.427 57.503 56.100 -0.041 0.000 0.975 148 R CB -0.758 29.528 30.300 -0.024 0.000 0.871 148 R HN 0.416 nan 8.270 nan 0.000 0.450 149 A N 0.807 123.615 122.820 -0.020 0.000 1.859 149 A HA -0.174 4.147 4.320 0.002 0.000 0.217 149 A C 2.412 179.994 177.584 -0.003 0.000 1.198 149 A CA 2.026 54.057 52.037 -0.010 0.000 0.629 149 A CB -0.797 18.198 19.000 -0.010 0.000 0.830 149 A HN 0.149 nan 8.150 nan 0.000 0.446 150 V N -0.024 119.889 119.914 -0.002 0.000 2.490 150 V HA -0.256 3.865 4.120 0.002 0.000 0.250 150 V C 2.367 178.524 176.094 0.105 0.000 1.061 150 V CA 1.950 64.284 62.300 0.056 0.000 1.064 150 V CB -0.785 31.066 31.823 0.046 0.000 0.670 150 V HN 0.543 nan 8.190 nan 0.000 0.461 151 I N 0.936 121.483 120.570 -0.038 0.000 2.193 151 I HA -0.150 4.021 4.170 0.002 0.000 0.240 151 I C 2.737 178.840 176.117 -0.022 0.000 1.084 151 I CA 1.762 62.964 61.300 -0.163 0.000 1.365 151 I CB -0.875 36.916 38.000 -0.348 0.000 1.064 151 I HN 0.428 nan 8.210 nan 0.000 0.410 152 D N 0.776 121.174 120.400 -0.004 0.000 2.097 152 D HA -0.236 4.405 4.640 0.002 0.000 0.195 152 D C 2.265 178.609 176.300 0.073 0.000 0.989 152 D CA 1.565 55.587 54.000 0.036 0.000 0.827 152 D CB -0.539 40.270 40.800 0.017 0.000 0.966 152 D HN 0.261 nan 8.370 nan 0.000 0.456 153 R N -1.568 118.968 120.500 0.060 0.000 2.082 153 R HA -0.145 4.196 4.340 0.002 0.000 0.234 153 R C 2.292 178.646 176.300 0.090 0.000 1.136 153 R CA 1.731 57.857 56.100 0.044 0.000 0.935 153 R CB -0.607 29.689 30.300 -0.006 0.000 0.842 153 R HN 0.518 nan 8.270 nan 0.000 0.430 154 Y N 0.057 120.390 120.300 0.054 0.000 2.193 154 Y HA -0.301 4.251 4.550 0.002 0.000 0.285 154 Y C 2.936 178.998 175.900 0.271 0.000 1.166 154 Y CA 2.721 60.897 58.100 0.126 0.000 1.181 154 Y CB -0.509 37.957 38.460 0.010 0.000 0.976 154 Y HN 0.269 nan 8.280 nan 0.000 0.520 155 R N -0.043 120.678 120.500 0.369 0.000 2.115 155 R HA -0.062 4.279 4.340 0.002 0.000 0.226 155 R C 2.075 178.498 176.300 0.204 0.000 1.100 155 R CA 1.760 58.043 56.100 0.305 0.000 0.980 155 R CB -1.838 28.592 30.300 0.218 0.000 0.875 155 R HN 0.541 nan 8.270 nan 0.000 0.445 156 Q N -0.407 119.487 119.800 0.157 0.000 2.079 156 Q HA -0.023 4.318 4.340 0.002 0.000 0.200 156 Q C 2.525 178.589 176.000 0.108 0.000 0.974 156 Q CA 2.024 57.889 55.803 0.104 0.000 0.840 156 Q CB -1.119 27.661 28.738 0.070 0.000 0.898 156 Q HN 0.840 nan 8.270 nan 0.000 0.430 157 R N 0.141 120.730 120.500 0.148 0.000 2.366 157 R HA 0.371 4.712 4.340 0.002 0.000 0.201 157 R C 2.046 178.413 176.300 0.112 0.000 1.057 157 R CA 1.228 57.414 56.100 0.144 0.000 1.086 157 R CB -1.587 28.825 30.300 0.187 0.000 0.914 157 R HN 1.798 nan 8.270 nan 0.000 0.476 158 G N -2.022 106.849 108.800 0.118 0.000 2.195 158 G HA2 -0.271 3.690 3.960 0.002 0.000 0.246 158 G HA3 -0.271 3.690 3.960 0.002 0.000 0.246 158 G C 0.255 175.187 174.900 0.053 0.000 0.984 158 G CA 0.164 45.293 45.100 0.048 0.000 0.633 158 G HN 0.637 nan 8.290 nan 0.000 0.525 159 Y N -0.578 119.811 120.300 0.148 0.000 2.620 159 Y HA 0.350 4.901 4.550 0.002 0.000 0.330 159 Y C 1.384 177.275 175.900 -0.016 0.000 1.186 159 Y CA 1.144 59.299 58.100 0.091 0.000 1.467 159 Y CB 1.570 40.158 38.460 0.214 0.000 1.262 159 Y HN 0.029 nan 8.280 nan 0.000 0.550 160 V N 2.482 122.389 119.914 -0.011 0.000 3.337 160 V HA 0.519 4.640 4.120 0.002 0.000 0.307 160 V C -0.262 175.664 176.094 -0.280 0.000 1.505 160 V CA 0.410 62.655 62.300 -0.092 0.000 1.072 160 V CB 0.007 31.844 31.823 0.024 0.000 0.929 160 V HN 0.756 nan 8.190 nan 0.000 0.455 161 A N 0.230 122.779 122.820 -0.453 0.000 2.408 161 A HA 0.807 5.128 4.320 0.002 0.000 0.295 161 A C -1.143 176.075 177.584 -0.610 0.000 1.040 161 A CA -0.450 51.328 52.037 -0.431 0.000 0.707 161 A CB 0.953 19.839 19.000 -0.189 0.000 1.235 161 A HN 0.443 nan 8.150 nan 0.000 0.418 162 H N 0.947 119.914 119.070 -0.171 0.000 2.600 162 H HA 0.552 5.109 4.556 0.001 0.000 0.357 162 H C -0.753 174.363 175.328 -0.354 0.000 1.106 162 H CA -0.513 55.355 56.048 -0.300 0.000 1.193 162 H CB 2.191 31.767 29.762 -0.310 0.000 1.594 162 H HN 0.540 nan 8.280 nan 0.000 0.526 163 S N 2.786 118.308 115.700 -0.296 0.000 2.474 163 S HA 0.290 4.761 4.470 0.002 0.000 0.320 163 S C -0.339 174.037 174.600 -0.374 0.000 1.067 163 S CA -0.674 57.296 58.200 -0.383 0.000 1.127 163 S CB -0.391 62.544 63.200 -0.442 0.000 0.971 163 S HN 0.357 nan 8.310 nan 0.000 0.472 164 V N 7.073 126.751 119.914 -0.393 0.000 2.432 164 V HA 0.330 4.452 4.120 0.002 0.000 0.271 164 V C 0.160 176.130 176.094 -0.208 0.000 1.046 164 V CA -0.642 61.487 62.300 -0.285 0.000 0.945 164 V CB 0.788 32.458 31.823 -0.256 0.000 0.992 164 V HN 0.676 nan 8.190 nan 0.000 0.471 165 K N 6.745 127.031 120.400 -0.191 0.000 2.276 165 K HA 0.584 4.905 4.320 0.002 0.000 0.283 165 K C -0.301 176.228 176.600 -0.118 0.000 1.044 165 K CA -0.003 56.175 56.287 -0.182 0.000 0.944 165 K CB 1.479 33.859 32.500 -0.200 0.000 1.012 165 K HN 0.753 nan 8.250 nan 0.000 0.472 166 I N -2.683 117.795 120.570 -0.154 0.000 3.343 166 I HA 0.874 5.045 4.170 0.002 0.000 0.315 166 I C 0.028 175.964 176.117 -0.301 0.000 1.153 166 I CA -1.042 60.172 61.300 -0.143 0.000 0.952 166 I CB 2.547 40.514 38.000 -0.056 0.000 1.287 166 I HN 0.625 nan 8.210 nan 0.000 0.472 167 G N -0.697 107.950 108.800 -0.255 0.000 2.351 167 G HA2 0.483 4.444 3.960 0.002 0.000 0.353 167 G HA3 0.483 4.444 3.960 0.002 0.000 0.353 167 G C 0.143 175.060 174.900 0.028 0.000 1.358 167 G CA -0.211 44.699 45.100 -0.318 0.000 0.995 167 G HN 2.049 nan 8.290 nan 0.000 0.611 168 G N -0.373 108.504 108.800 0.129 0.000 3.444 168 G HA2 -0.212 3.749 3.960 0.002 0.000 0.222 168 G HA3 -0.212 3.749 3.960 0.002 0.000 0.222 168 G C 0.247 175.245 174.900 0.164 0.000 1.358 168 G CA 1.516 46.696 45.100 0.133 0.000 0.880 168 G HN 1.599 nan 8.290 nan 0.000 0.555 169 D N 0.457 120.964 120.400 0.180 0.000 2.620 169 D HA 0.458 5.099 4.640 0.002 0.000 0.252 169 D C 1.742 178.109 176.300 0.111 0.000 1.207 169 D CA 0.236 54.304 54.000 0.112 0.000 0.884 169 D CB 2.007 42.848 40.800 0.069 0.000 1.262 169 D HN 0.649 nan 8.370 nan 0.000 0.552 170 V N 2.373 122.303 119.914 0.025 0.000 2.261 170 V HA -0.167 3.954 4.120 0.002 0.000 0.246 170 V C 1.817 177.904 176.094 -0.012 0.000 1.047 170 V CA 1.520 63.795 62.300 -0.042 0.000 1.015 170 V CB -0.477 31.246 31.823 -0.166 0.000 0.642 170 V HN 0.554 nan 8.190 nan 0.000 0.446 171 E N 0.138 120.331 120.200 -0.012 0.000 2.058 171 E HA -0.265 4.086 4.350 0.002 0.000 0.194 171 E C 2.508 179.115 176.600 0.011 0.000 0.997 171 E CA 1.900 58.295 56.400 -0.008 0.000 0.801 171 E CB -0.249 29.444 29.700 -0.010 0.000 0.746 171 E HN 0.657 nan 8.360 nan 0.000 0.450 172 R N 0.600 121.117 120.500 0.029 0.000 2.075 172 R HA -0.162 4.179 4.340 0.002 0.000 0.232 172 R C 1.606 177.939 176.300 0.055 0.000 1.126 172 R CA 1.838 57.961 56.100 0.037 0.000 0.963 172 R CB -0.016 30.308 30.300 0.040 0.000 0.858 172 R HN 0.132 nan 8.270 nan 0.000 0.435 173 D N 0.593 121.051 120.400 0.097 0.000 2.117 173 D HA -0.155 4.486 4.640 0.002 0.000 0.197 173 D C 1.988 178.344 176.300 0.094 0.000 0.987 173 D CA 1.321 55.408 54.000 0.145 0.000 0.829 173 D CB -0.152 40.846 40.800 0.330 0.000 0.961 173 D HN 0.326 nan 8.370 nan 0.000 0.460 174 I N 1.438 122.041 120.570 0.055 0.000 2.163 174 I HA -0.287 3.885 4.170 0.002 0.000 0.243 174 I C 2.564 178.675 176.117 -0.011 0.000 1.085 174 I CA 1.146 62.450 61.300 0.008 0.000 1.347 174 I CB -0.226 37.762 38.000 -0.020 0.000 1.044 174 I HN -0.080 nan 8.210 nan 0.000 0.408 175 A N 0.570 123.390 122.820 -0.001 0.000 1.883 175 A HA -0.286 4.035 4.320 0.002 0.000 0.217 175 A C 2.423 180.006 177.584 -0.003 0.000 1.186 175 A CA 2.067 54.101 52.037 -0.004 0.000 0.624 175 A CB -0.711 18.291 19.000 0.003 0.000 0.822 175 A HN 0.353 nan 8.150 nan 0.000 0.444 176 R N -0.492 120.013 120.500 0.009 0.000 2.081 176 R HA -0.082 4.259 4.340 0.002 0.000 0.235 176 R C 1.965 178.271 176.300 0.010 0.000 1.131 176 R CA 1.761 57.873 56.100 0.019 0.000 0.960 176 R CB -0.398 29.926 30.300 0.040 0.000 0.856 176 R HN 0.583 nan 8.270 nan 0.000 0.436 177 I N -0.214 120.310 120.570 -0.078 0.000 2.226 177 I HA -0.241 3.930 4.170 0.002 0.000 0.245 177 I C 2.574 178.621 176.117 -0.117 0.000 1.100 177 I CA 1.221 62.363 61.300 -0.263 0.000 1.374 177 I CB -0.198 37.495 38.000 -0.511 0.000 1.057 177 I HN 0.129 nan 8.210 nan 0.000 0.413 178 R N 0.528 120.982 120.500 -0.076 0.000 2.115 178 R HA -0.187 4.154 4.340 0.002 0.000 0.230 178 R C 1.927 178.216 176.300 -0.019 0.000 1.111 178 R CA 1.581 57.653 56.100 -0.047 0.000 0.976 178 R CB -0.179 30.097 30.300 -0.040 0.000 0.870 178 R HN 0.290 nan 8.270 nan 0.000 0.445 179 D N -0.754 119.641 120.400 -0.008 0.000 2.084 179 D HA -0.122 4.519 4.640 0.002 0.000 0.196 179 D C 1.655 177.961 176.300 0.010 0.000 0.985 179 D CA 1.241 55.241 54.000 0.000 0.000 0.826 179 D CB 0.109 40.911 40.800 0.002 0.000 0.978 179 D HN -0.017 nan 8.370 nan 0.000 0.456 180 V N 0.824 120.760 119.914 0.036 0.000 2.407 180 V HA -0.127 3.994 4.120 0.002 0.000 0.248 180 V C 2.082 178.210 176.094 0.056 0.000 1.055 180 V CA 1.495 63.825 62.300 0.050 0.000 1.049 180 V CB -0.476 31.424 31.823 0.128 0.000 0.662 180 V HN 0.217 nan 8.190 nan 0.000 0.455 181 E N -0.213 120.028 120.200 0.069 0.000 2.482 181 E HA -0.129 4.222 4.350 0.002 0.000 0.196 181 E C 1.654 178.260 176.600 0.010 0.000 1.047 181 E CA 0.664 57.090 56.400 0.044 0.000 0.869 181 E CB -0.103 29.608 29.700 0.018 0.000 0.836 181 E HN 0.677 nan 8.360 nan 0.000 0.520 182 D N 0.302 120.705 120.400 0.004 0.000 2.289 182 D HA -0.054 4.587 4.640 0.002 0.000 0.207 182 D C 1.521 177.821 176.300 -0.000 0.000 0.966 182 D CA 0.440 54.438 54.000 -0.002 0.000 0.868 182 D CB 0.229 41.026 40.800 -0.005 0.000 0.943 182 D HN 0.300 nan 8.370 nan 0.000 0.514 183 I N -3.060 117.509 120.570 -0.001 0.000 3.936 183 I HA 0.380 4.551 4.170 0.002 0.000 0.330 183 I C 0.232 176.347 176.117 -0.002 0.000 1.509 183 I CA -0.592 60.706 61.300 -0.005 0.000 1.126 183 I CB 0.279 38.270 38.000 -0.015 0.000 1.115 183 I HN -0.273 nan 8.210 nan 0.000 0.424 184 R N 4.178 124.682 120.500 0.007 0.000 2.233 184 R HA 0.223 4.564 4.340 0.002 0.000 0.334 184 R C -0.188 176.130 176.300 0.028 0.000 1.037 184 R CA -0.210 55.900 56.100 0.018 0.000 0.920 184 R CB 0.732 31.046 30.300 0.023 0.000 1.137 184 R HN 0.475 nan 8.270 nan 0.000 0.492 185 E N 4.823 125.046 120.200 0.037 0.000 2.384 185 E HA 0.146 4.497 4.350 0.002 0.000 0.266 185 E C -2.260 174.361 176.600 0.036 0.000 1.012 185 E CA -1.968 54.454 56.400 0.036 0.000 0.901 185 E CB 0.052 29.776 29.700 0.041 0.000 0.967 185 E HN 0.243 nan 8.360 nan 0.000 0.435 186 P HA -0.076 nan 4.420 nan 0.000 0.263 186 P C 0.706 178.021 177.300 0.024 0.000 1.168 186 P CA 1.695 64.811 63.100 0.027 0.000 0.759 186 P CB 0.253 31.967 31.700 0.024 0.000 0.782 187 G N 1.366 110.176 108.800 0.017 0.000 2.143 187 G HA2 -0.254 3.707 3.960 0.002 0.000 0.249 187 G HA3 -0.254 3.707 3.960 0.002 0.000 0.249 187 G C 0.020 174.921 174.900 0.001 0.000 0.981 187 G CA -0.333 44.771 45.100 0.007 0.000 0.665 187 G HN 0.576 nan 8.290 nan 0.000 0.528 188 E N -0.189 120.017 120.200 0.011 0.000 2.200 188 E HA 0.466 4.817 4.350 0.002 0.000 0.283 188 E C 0.228 176.816 176.600 -0.020 0.000 1.015 188 E CA -0.624 55.785 56.400 0.015 0.000 0.819 188 E CB 0.849 30.592 29.700 0.072 0.000 1.081 188 E HN 0.360 nan 8.360 nan 0.000 0.397 189 I N 4.262 124.791 120.570 -0.069 0.000 2.301 189 I HA 0.100 4.271 4.170 0.002 0.000 0.292 189 I C -0.189 175.872 176.117 -0.094 0.000 1.046 189 I CA -0.318 60.920 61.300 -0.103 0.000 1.282 189 I CB 1.022 38.941 38.000 -0.135 0.000 1.409 189 I HN 0.166 nan 8.210 nan 0.000 0.484 190 V N 8.369 128.214 119.914 -0.115 0.000 2.588 190 V HA 0.620 4.741 4.120 0.002 0.000 0.304 190 V C -1.319 174.560 176.094 -0.359 0.000 1.042 190 V CA -0.671 61.481 62.300 -0.247 0.000 0.877 190 V CB 1.962 33.589 31.823 -0.326 0.000 0.996 190 V HN 0.588 nan 8.190 nan 0.000 0.425 191 L N 6.919 127.885 121.223 -0.428 0.000 2.329 191 L HA 0.665 5.007 4.340 0.002 0.000 0.279 191 L C -1.399 175.093 176.870 -0.629 0.000 1.014 191 L CA -0.247 54.330 54.840 -0.437 0.000 0.814 191 L CB 1.772 43.548 42.059 -0.470 0.000 1.257 191 L HN 0.721 nan 8.230 nan 0.000 0.424 192 Y N 3.168 123.266 120.300 -0.336 0.000 2.454 192 Y HA 0.314 4.864 4.550 0.001 0.000 0.345 192 Y C -0.159 175.581 175.900 -0.267 0.000 0.970 192 Y CA -0.523 57.387 58.100 -0.317 0.000 1.204 192 Y CB 0.620 38.835 38.460 -0.410 0.000 1.122 192 Y HN 0.509 nan 8.280 nan 0.000 0.514 193 D N 3.052 123.330 120.400 -0.203 0.000 2.347 193 D HA 0.169 4.810 4.640 0.002 0.000 0.235 193 D C 0.518 176.650 176.300 -0.281 0.000 1.149 193 D CA -0.037 53.811 54.000 -0.253 0.000 0.850 193 D CB 1.620 42.221 40.800 -0.331 0.000 1.061 193 D HN 0.364 nan 8.370 nan 0.000 0.487 194 V N 3.600 123.315 119.914 -0.332 0.000 2.788 194 V HA -0.071 4.050 4.120 0.002 0.000 0.251 194 V C 0.950 176.800 176.094 -0.408 0.000 1.068 194 V CA 0.255 62.236 62.300 -0.532 0.000 1.090 194 V CB -0.858 30.485 31.823 -0.800 0.000 0.710 194 V HN 0.766 nan 8.190 nan 0.000 0.467 195 N N 0.936 119.447 118.700 -0.314 0.000 2.716 195 N HA -0.270 4.471 4.740 0.002 0.000 0.250 195 N C 0.509 175.867 175.510 -0.253 0.000 1.033 195 N CA 1.142 54.013 53.050 -0.298 0.000 0.727 195 N CB -0.695 37.563 38.487 -0.382 0.000 0.950 195 N HN 0.743 nan 8.380 nan 0.000 0.541 196 R N -4.118 116.265 120.500 -0.194 0.000 3.994 196 R HA -0.188 4.153 4.340 0.002 0.000 0.403 196 R C 1.057 177.301 176.300 -0.094 0.000 1.126 196 R CA 1.240 57.273 56.100 -0.110 0.000 1.143 196 R CB -2.221 28.028 30.300 -0.086 0.000 1.695 196 R HN 0.374 nan 8.270 nan 0.000 0.555 197 G N -0.407 108.281 108.800 -0.187 0.000 3.374 197 G HA2 0.139 4.100 3.960 0.002 0.000 0.252 197 G HA3 0.139 4.100 3.960 0.002 0.000 0.252 197 G C -0.628 174.278 174.900 0.009 0.000 1.326 197 G CA -0.093 44.927 45.100 -0.134 0.000 1.133 197 G HN 0.160 nan 8.290 nan 0.000 0.528 198 W N 0.304 121.572 121.300 -0.054 0.000 3.129 198 W HA 0.394 5.054 4.660 0.000 0.000 0.333 198 W C 0.356 176.841 176.519 -0.056 0.000 1.141 198 W CA -1.467 55.842 57.345 -0.060 0.000 1.224 198 W CB 0.841 30.250 29.460 -0.084 0.000 1.393 198 W HN 0.100 nan 8.180 nan 0.000 0.499 199 T N -0.268 114.377 114.554 0.153 0.000 2.828 199 T HA 0.326 4.678 4.350 0.002 0.000 0.290 199 T C 1.415 176.112 174.700 -0.005 0.000 1.019 199 T CA -0.387 61.742 62.100 0.048 0.000 1.031 199 T CB 1.530 70.403 68.868 0.008 0.000 1.001 199 T HN 0.414 nan 8.240 nan 0.000 0.531 200 R N 0.993 121.484 120.500 -0.014 0.000 2.122 200 R HA -0.267 4.074 4.340 0.002 0.000 0.236 200 R C 2.772 179.006 176.300 -0.110 0.000 1.129 200 R CA 2.409 58.483 56.100 -0.044 0.000 0.925 200 R CB -0.738 29.547 30.300 -0.025 0.000 0.850 200 R HN 0.931 nan 8.270 nan 0.000 0.431 201 Q N 1.049 120.789 119.800 -0.100 0.000 2.133 201 Q HA -0.267 4.074 4.340 0.002 0.000 0.208 201 Q C 1.881 177.744 176.000 -0.228 0.000 0.991 201 Q CA 2.143 57.866 55.803 -0.133 0.000 0.867 201 Q CB -0.521 28.160 28.738 -0.094 0.000 0.911 201 Q HN 0.449 nan 8.270 nan 0.000 0.417 202 Q N 0.288 119.924 119.800 -0.274 0.000 2.020 202 Q HA -0.107 4.234 4.340 0.002 0.000 0.202 202 Q C 2.306 177.760 176.000 -0.910 0.000 0.982 202 Q CA 1.416 56.916 55.803 -0.506 0.000 0.838 202 Q CB -0.425 28.044 28.738 -0.449 0.000 0.899 202 Q HN 0.567 nan 8.270 nan 0.000 0.423 203 A N 1.391 123.736 122.820 -0.791 0.000 1.852 203 A HA -0.263 4.058 4.320 0.002 0.000 0.217 203 A C 2.095 179.229 177.584 -0.751 0.000 1.215 203 A CA 1.807 53.338 52.037 -0.843 0.000 0.641 203 A CB -1.199 17.663 19.000 -0.229 0.000 0.838 203 A HN 0.405 nan 8.150 nan 0.000 0.450 204 L N -0.065 120.890 121.223 -0.445 0.000 2.034 204 L HA -0.278 4.063 4.340 0.002 0.000 0.217 204 L C 2.452 179.099 176.870 -0.371 0.000 1.077 204 L CA 2.599 57.237 54.840 -0.336 0.000 0.769 204 L CB -0.750 41.207 42.059 -0.170 0.000 0.890 204 L HN 0.432 nan 8.230 nan 0.000 0.435 205 R N -0.878 119.388 120.500 -0.390 0.000 2.082 205 R HA -0.159 4.182 4.340 0.002 0.000 0.234 205 R C 2.321 178.397 176.300 -0.373 0.000 1.136 205 R CA 2.058 57.960 56.100 -0.331 0.000 0.935 205 R CB -1.000 29.122 30.300 -0.296 0.000 0.842 205 R HN 0.533 nan 8.270 nan 0.000 0.430 206 V N 0.241 119.816 119.914 -0.565 0.000 2.453 206 V HA -0.167 3.954 4.120 0.002 0.000 0.247 206 V C 2.034 177.871 176.094 -0.428 0.000 1.048 206 V CA 1.504 63.528 62.300 -0.460 0.000 1.049 206 V CB -0.231 31.343 31.823 -0.414 0.000 0.672 206 V HN 0.289 nan 8.190 nan 0.000 0.457 207 M N -0.525 118.649 119.600 -0.710 0.000 2.117 207 M HA -0.113 4.368 4.480 0.002 0.000 0.262 207 M C 2.497 178.628 176.300 -0.282 0.000 1.065 207 M CA 2.015 56.895 55.300 -0.699 0.000 1.114 207 M CB -0.459 31.507 32.600 -1.057 0.000 1.361 207 M HN 0.289 nan 8.290 nan 0.000 0.408 208 R N 0.723 121.078 120.500 -0.241 0.000 2.070 208 R HA -0.066 4.275 4.340 0.002 0.000 0.233 208 R C 2.036 178.302 176.300 -0.058 0.000 1.137 208 R CA 1.964 58.011 56.100 -0.087 0.000 0.945 208 R CB -0.957 29.294 30.300 -0.081 0.000 0.845 208 R HN 0.398 nan 8.270 nan 0.000 0.430 209 A N -0.108 122.655 122.820 -0.095 0.000 2.042 209 A HA -0.157 4.164 4.320 0.002 0.000 0.222 209 A C 1.557 179.124 177.584 -0.028 0.000 1.167 209 A CA 2.247 54.245 52.037 -0.064 0.000 0.649 209 A CB -0.585 18.363 19.000 -0.087 0.000 0.809 209 A HN 0.578 nan 8.150 nan 0.000 0.457 210 T N -3.919 110.637 114.554 0.003 0.000 3.266 210 T HA 0.368 4.719 4.350 0.002 0.000 0.278 210 T C 0.715 175.450 174.700 0.059 0.000 1.010 210 T CA 0.234 62.349 62.100 0.026 0.000 0.909 210 T CB 0.362 69.264 68.868 0.056 0.000 1.122 210 T HN 0.512 nan 8.240 nan 0.000 0.536 211 E N 2.203 122.445 120.200 0.071 0.000 2.150 211 E HA -0.136 4.215 4.350 0.002 0.000 0.193 211 E C 1.603 178.264 176.600 0.102 0.000 0.985 211 E CA 1.286 57.756 56.400 0.117 0.000 0.814 211 E CB -0.008 29.761 29.700 0.114 0.000 0.752 211 E HN 0.699 nan 8.360 nan 0.000 0.466 212 D N 0.418 120.832 120.400 0.022 0.000 2.363 212 D HA -0.119 4.522 4.640 0.002 0.000 0.226 212 D C 1.435 177.539 176.300 -0.327 0.000 1.020 212 D CA 0.457 54.434 54.000 -0.038 0.000 0.892 212 D CB -0.058 40.733 40.800 -0.015 0.000 0.900 212 D HN 0.252 nan 8.370 nan 0.000 0.531 213 L N -0.386 120.649 121.223 -0.312 0.000 2.640 213 L HA 0.092 4.433 4.340 0.002 0.000 0.230 213 L C -0.030 176.574 176.870 -0.443 0.000 1.123 213 L CA -0.263 54.324 54.840 -0.422 0.000 0.900 213 L CB -0.491 41.458 42.059 -0.183 0.000 1.146 213 L HN 0.044 nan 8.230 nan 0.000 0.484 214 H N -0.989 118.111 119.070 0.050 0.000 2.692 214 H HA -0.105 4.452 4.556 0.001 0.000 0.316 214 H C -0.016 175.348 175.328 0.062 0.000 1.176 214 H CA 0.628 56.712 56.048 0.061 0.000 1.142 214 H CB -2.489 27.301 29.762 0.047 0.000 1.475 214 H HN 0.242 nan 8.280 nan 0.000 0.423 215 V N -2.474 117.509 119.914 0.116 0.000 2.973 215 V HA 0.667 4.788 4.120 0.002 0.000 0.314 215 V C 0.888 176.986 176.094 0.006 0.000 1.066 215 V CA -1.084 61.233 62.300 0.028 0.000 1.021 215 V CB 2.858 34.594 31.823 -0.145 0.000 1.076 215 V HN 0.304 nan 8.190 nan 0.000 0.462 216 M N 2.221 121.787 119.600 -0.058 0.000 2.508 216 M HA 0.679 5.160 4.480 0.002 0.000 0.327 216 M C -1.925 174.250 176.300 -0.208 0.000 1.160 216 M CA -0.454 54.855 55.300 0.014 0.000 0.980 216 M CB 1.808 34.471 32.600 0.105 0.000 1.693 216 M HN 0.725 nan 8.290 nan 0.000 0.452 217 F N 1.345 121.381 119.950 0.142 0.000 2.532 217 F HA 0.471 4.999 4.527 0.003 0.000 0.321 217 F C -0.118 175.687 175.800 0.008 0.000 1.089 217 F CA -0.695 57.358 58.000 0.089 0.000 0.926 217 F CB 1.731 40.810 39.000 0.131 0.000 1.168 217 F HN 0.469 nan 8.300 nan 0.000 0.459 218 E N 1.097 121.344 120.200 0.078 0.000 2.166 218 E HA 0.191 4.542 4.350 0.002 0.000 0.275 218 E C -0.689 175.887 176.600 -0.040 0.000 0.941 218 E CA -0.788 55.591 56.400 -0.034 0.000 0.784 218 E CB 1.484 31.067 29.700 -0.196 0.000 1.115 218 E HN 0.588 nan 8.360 nan 0.000 0.399 219 Q N 2.021 121.815 119.800 -0.010 0.000 2.416 219 Q HA -0.151 4.190 4.340 0.002 0.000 0.319 219 Q C -2.117 173.870 176.000 -0.021 0.000 1.318 219 Q CA 0.300 56.090 55.803 -0.020 0.000 0.915 219 Q CB -0.727 27.967 28.738 -0.074 0.000 1.184 219 Q HN 0.335 nan 8.270 nan 0.000 0.444 220 P HA 0.232 nan 4.420 nan 0.000 0.237 220 P C 0.235 177.651 177.300 0.193 0.000 1.701 220 P CA 1.385 64.584 63.100 0.164 0.000 0.955 220 P CB -0.077 31.780 31.700 0.262 0.000 1.937 221 G N 0.521 109.381 108.800 0.100 0.000 2.340 221 G HA2 0.050 4.011 3.960 0.002 0.000 0.300 221 G HA3 0.050 4.011 3.960 0.002 0.000 0.300 221 G C 0.091 175.012 174.900 0.035 0.000 1.488 221 G CA -0.486 44.667 45.100 0.087 0.000 0.878 221 G HN 0.011 nan 8.290 nan 0.000 0.618 222 E N -0.631 119.587 120.200 0.030 0.000 2.150 222 E HA 0.124 4.475 4.350 0.002 0.000 0.193 222 E C 1.314 177.918 176.600 0.008 0.000 0.985 222 E CA 2.219 58.625 56.400 0.010 0.000 0.814 222 E CB 0.098 29.805 29.700 0.012 0.000 0.752 222 E HN 0.955 nan 8.360 nan 0.000 0.466 223 T N -2.771 111.793 114.554 0.018 0.000 2.868 223 T HA 0.250 4.601 4.350 0.002 0.000 0.306 223 T C 0.511 175.225 174.700 0.025 0.000 1.224 223 T CA -0.384 61.726 62.100 0.016 0.000 1.012 223 T CB 0.741 69.617 68.868 0.014 0.000 1.221 223 T HN 0.007 nan 8.240 nan 0.000 0.499 224 L N 0.837 122.074 121.223 0.023 0.000 2.189 224 L HA -0.017 4.325 4.340 0.002 0.000 0.214 224 L C 1.558 178.448 176.870 0.032 0.000 1.097 224 L CA 2.040 56.899 54.840 0.031 0.000 0.764 224 L CB -0.929 41.145 42.059 0.024 0.000 0.900 224 L HN 0.730 nan 8.230 nan 0.000 0.436 225 D N -0.417 119.998 120.400 0.025 0.000 2.149 225 D HA -0.136 4.505 4.640 0.002 0.000 0.201 225 D C 1.684 178.000 176.300 0.026 0.000 0.972 225 D CA 1.241 55.254 54.000 0.022 0.000 0.835 225 D CB -0.121 40.688 40.800 0.016 0.000 0.966 225 D HN 0.444 nan 8.370 nan 0.000 0.476 226 D N 0.426 120.844 120.400 0.030 0.000 2.144 226 D HA -0.087 4.554 4.640 0.002 0.000 0.200 226 D C 2.205 178.535 176.300 0.049 0.000 0.978 226 D CA 0.286 54.306 54.000 0.034 0.000 0.833 226 D CB -0.085 40.736 40.800 0.036 0.000 0.961 226 D HN 0.225 nan 8.370 nan 0.000 0.470 227 I N 1.391 121.997 120.570 0.059 0.000 2.226 227 I HA -0.207 3.964 4.170 0.002 0.000 0.245 227 I C 2.465 178.628 176.117 0.078 0.000 1.100 227 I CA 0.891 62.241 61.300 0.083 0.000 1.374 227 I CB -1.034 37.017 38.000 0.085 0.000 1.057 227 I HN -0.076 nan 8.210 nan 0.000 0.413 228 A N 1.029 123.881 122.820 0.053 0.000 1.873 228 A HA -0.064 4.257 4.320 0.002 0.000 0.215 228 A C 2.632 180.234 177.584 0.028 0.000 1.186 228 A CA 1.857 53.917 52.037 0.038 0.000 0.616 228 A CB -0.831 18.186 19.000 0.028 0.000 0.823 228 A HN 0.404 nan 8.150 nan 0.000 0.442 229 A N 0.842 123.679 122.820 0.027 0.000 1.873 229 A HA -0.185 4.136 4.320 0.002 0.000 0.218 229 A C 2.105 179.703 177.584 0.022 0.000 1.193 229 A CA 1.856 53.904 52.037 0.019 0.000 0.629 229 A CB -0.877 18.132 19.000 0.015 0.000 0.826 229 A HN 1.082 nan 8.150 nan 0.000 0.447 230 I N -4.394 116.202 120.570 0.044 0.000 3.291 230 I HA -0.007 4.164 4.170 0.002 0.000 0.279 230 I C 2.067 178.234 176.117 0.084 0.000 1.294 230 I CA 0.757 62.103 61.300 0.078 0.000 1.428 230 I CB -0.358 37.699 38.000 0.094 0.000 1.070 230 I HN 0.076 nan 8.210 nan 0.000 0.478 231 R N 2.932 123.448 120.500 0.027 0.000 2.136 231 R HA -0.129 4.212 4.340 0.002 0.000 0.242 231 R C -0.429 175.754 176.300 -0.195 0.000 1.131 231 R CA 2.533 58.580 56.100 -0.088 0.000 0.937 231 R CB -2.101 28.177 30.300 -0.036 0.000 0.863 231 R HN 0.364 nan 8.270 nan 0.000 0.435 232 P HA -0.053 nan 4.420 nan 0.000 0.239 232 P C 0.754 178.000 177.300 -0.090 0.000 1.184 232 P CA 0.628 63.673 63.100 -0.093 0.000 0.760 232 P CB 0.076 31.748 31.700 -0.046 0.000 0.884 233 L N -0.984 120.192 121.223 -0.079 0.000 2.585 233 L HA 0.171 4.512 4.340 0.002 0.000 0.226 233 L C 1.089 177.987 176.870 0.046 0.000 1.113 233 L CA 0.547 55.385 54.840 -0.002 0.000 0.876 233 L CB -0.897 41.190 42.059 0.046 0.000 1.072 233 L HN 0.248 nan 8.230 nan 0.000 0.468 234 H N -6.119 112.935 119.070 -0.026 0.000 2.933 234 H HA 0.573 5.131 4.556 0.005 0.000 0.310 234 H C -0.124 175.207 175.328 0.004 0.000 1.351 234 H CA -0.620 55.413 56.048 -0.025 0.000 1.137 234 H CB 0.549 30.277 29.762 -0.057 0.000 1.853 234 H HN -0.242 nan 8.280 nan 0.000 0.539 235 S N -0.630 115.159 115.700 0.148 0.000 2.749 235 S HA 0.533 5.004 4.470 0.002 0.000 0.246 235 S C 0.165 174.894 174.600 0.216 0.000 1.023 235 S CA 0.018 58.273 58.200 0.093 0.000 1.012 235 S CB 0.261 63.508 63.200 0.079 0.000 0.942 235 S HN 0.852 nan 8.310 nan 0.000 0.531 236 A N 3.598 126.687 122.820 0.447 0.000 2.331 236 A HA 0.641 4.962 4.320 0.002 0.000 0.283 236 A C -2.633 175.178 177.584 0.378 0.000 1.142 236 A CA -1.757 50.524 52.037 0.406 0.000 0.812 236 A CB 0.032 19.311 19.000 0.464 0.000 1.074 236 A HN 0.103 nan 8.150 nan 0.000 0.497 237 P HA 0.264 nan 4.420 nan 0.000 0.271 237 P C -0.697 176.788 177.300 0.308 0.000 1.226 237 P CA 0.127 63.378 63.100 0.252 0.000 0.765 237 P CB 0.902 32.723 31.700 0.201 0.000 0.835 238 V N 2.714 122.789 119.914 0.267 0.000 2.513 238 V HA 0.419 4.540 4.120 0.002 0.000 0.299 238 V C 0.597 176.817 176.094 0.209 0.000 1.035 238 V CA -0.474 61.987 62.300 0.268 0.000 0.889 238 V CB 1.680 33.656 31.823 0.255 0.000 0.988 238 V HN 0.628 nan 8.190 nan 0.000 0.440 239 S N 3.212 119.025 115.700 0.188 0.000 2.451 239 S HA 0.656 5.127 4.470 0.002 0.000 0.301 239 S C -0.946 173.734 174.600 0.133 0.000 1.116 239 S CA -0.489 57.811 58.200 0.166 0.000 1.093 239 S CB 1.603 64.871 63.200 0.113 0.000 1.017 239 S HN 0.596 nan 8.310 nan 0.000 0.482 240 V N 4.653 124.674 119.914 0.178 0.000 2.357 240 V HA 0.439 4.560 4.120 0.002 0.000 0.284 240 V C -0.247 175.894 176.094 0.078 0.000 1.018 240 V CA -0.197 62.183 62.300 0.133 0.000 0.841 240 V CB 1.566 33.498 31.823 0.182 0.000 0.991 240 V HN 1.108 nan 8.190 nan 0.000 0.437 241 D N 3.083 123.497 120.400 0.023 0.000 3.040 241 D HA 0.120 4.761 4.640 0.002 0.000 0.221 241 D C 1.507 177.799 176.300 -0.015 0.000 1.515 241 D CA 0.463 54.459 54.000 -0.007 0.000 1.379 241 D CB 0.550 41.321 40.800 -0.049 0.000 0.992 241 D HN 0.552 nan 8.370 nan 0.000 0.234 242 E N -0.330 119.858 120.200 -0.019 0.000 2.204 242 E HA -0.083 4.268 4.350 0.002 0.000 0.195 242 E C 1.970 178.569 176.600 -0.002 0.000 0.990 242 E CA 1.174 57.570 56.400 -0.006 0.000 0.821 242 E CB -0.160 29.531 29.700 -0.015 0.000 0.750 242 E HN 0.495 nan 8.360 nan 0.000 0.477 243 C N -0.566 118.730 119.300 -0.007 0.000 2.697 243 C HA 0.372 4.833 4.460 0.002 0.000 0.267 243 C C 0.829 175.804 174.990 -0.025 0.000 1.278 243 C CA -0.965 58.049 59.018 -0.007 0.000 1.708 243 C CB -1.125 26.616 27.740 0.002 0.000 1.860 243 C HN 0.146 nan 8.230 nan 0.000 0.589 244 L N 2.040 123.236 121.223 -0.045 0.000 2.375 244 L HA 0.389 4.730 4.340 0.002 0.000 0.276 244 L C 0.593 177.409 176.870 -0.089 0.000 1.162 244 L CA 0.242 55.016 54.840 -0.110 0.000 0.991 244 L CB 0.292 42.244 42.059 -0.179 0.000 1.315 244 L HN 0.233 nan 8.230 nan 0.000 0.431 245 V N 1.266 121.140 119.914 -0.065 0.000 2.870 245 V HA 0.198 4.319 4.120 0.002 0.000 0.232 245 V C 1.203 177.276 176.094 -0.035 0.000 1.161 245 V CA 1.048 63.331 62.300 -0.028 0.000 1.204 245 V CB 0.327 32.150 31.823 0.001 0.000 1.003 245 V HN 0.751 nan 8.190 nan 0.000 0.499 246 T N -1.960 112.571 114.554 -0.039 0.000 2.880 246 T HA 0.366 4.717 4.350 0.002 0.000 0.279 246 T C 0.665 175.337 174.700 -0.047 0.000 0.990 246 T CA -0.162 61.921 62.100 -0.028 0.000 0.938 246 T CB 1.404 70.263 68.868 -0.014 0.000 1.206 246 T HN 0.009 nan 8.240 nan 0.000 0.573 247 L N 0.300 121.508 121.223 -0.025 0.000 2.478 247 L HA 0.207 4.548 4.340 0.002 0.000 0.223 247 L C 2.646 179.506 176.870 -0.016 0.000 1.140 247 L CA 1.227 56.054 54.840 -0.021 0.000 0.842 247 L CB -0.781 41.282 42.059 0.007 0.000 0.953 247 L HN 0.706 nan 8.230 nan 0.000 0.452 248 Q N -0.978 118.813 119.800 -0.016 0.000 2.137 248 Q HA -0.124 4.217 4.340 0.002 0.000 0.198 248 Q C 1.419 177.408 176.000 -0.018 0.000 0.960 248 Q CA 1.347 57.144 55.803 -0.009 0.000 0.847 248 Q CB 0.010 28.746 28.738 -0.005 0.000 0.915 248 Q HN 0.535 nan 8.270 nan 0.000 0.448 249 D N 1.185 121.564 120.400 -0.036 0.000 2.097 249 D HA -0.151 4.490 4.640 0.002 0.000 0.195 249 D C 1.856 178.117 176.300 -0.065 0.000 0.989 249 D CA 1.254 55.226 54.000 -0.046 0.000 0.827 249 D CB -0.196 40.565 40.800 -0.065 0.000 0.966 249 D HN 0.191 nan 8.370 nan 0.000 0.456 250 A N 1.693 124.436 122.820 -0.129 0.000 1.870 250 A HA -0.250 4.071 4.320 0.002 0.000 0.219 250 A C 2.374 179.993 177.584 0.058 0.000 1.224 250 A CA 3.268 55.217 52.037 -0.146 0.000 0.650 250 A CB -1.050 17.866 19.000 -0.140 0.000 0.836 250 A HN 0.301 nan 8.150 nan 0.000 0.454 251 A N -1.085 121.751 122.820 0.026 0.000 2.066 251 A HA -0.019 4.302 4.320 0.002 0.000 0.218 251 A C 2.188 179.758 177.584 -0.024 0.000 1.157 251 A CA 1.586 53.625 52.037 0.003 0.000 0.670 251 A CB -0.417 18.588 19.000 0.007 0.000 0.804 251 A HN 0.657 nan 8.150 nan 0.000 0.453 252 R N -0.335 120.166 120.500 0.001 0.000 2.062 252 R HA -0.040 4.301 4.340 0.002 0.000 0.229 252 R C 1.772 178.082 176.300 0.017 0.000 1.128 252 R CA 1.584 57.685 56.100 0.002 0.000 0.960 252 R CB -0.568 29.736 30.300 0.005 0.000 0.855 252 R HN 0.171 nan 8.270 nan 0.000 0.432 253 V N 1.594 121.545 119.914 0.061 0.000 2.220 253 V HA -0.326 3.795 4.120 0.002 0.000 0.250 253 V C 2.561 178.691 176.094 0.060 0.000 1.056 253 V CA 2.333 64.699 62.300 0.109 0.000 1.016 253 V CB -0.913 31.074 31.823 0.274 0.000 0.639 253 V HN 0.642 nan 8.190 nan 0.000 0.446 254 A N -0.615 122.229 122.820 0.039 0.000 1.930 254 A HA -0.147 4.174 4.320 0.002 0.000 0.217 254 A C 2.266 179.738 177.584 -0.186 0.000 1.175 254 A CA 1.253 53.227 52.037 -0.106 0.000 0.627 254 A CB -0.421 18.457 19.000 -0.203 0.000 0.815 254 A HN 0.425 nan 8.150 nan 0.000 0.443 255 R N 0.384 120.761 120.500 -0.205 0.000 2.120 255 R HA -0.067 4.274 4.340 0.002 0.000 0.234 255 R C 0.123 176.401 176.300 -0.036 0.000 1.123 255 R CA 1.319 57.349 56.100 -0.117 0.000 0.975 255 R CB -0.617 29.635 30.300 -0.080 0.000 0.866 255 R HN 0.469 nan 8.270 nan 0.000 0.446 256 D N -0.596 119.790 120.400 -0.024 0.000 2.368 256 D HA 0.131 4.772 4.640 0.002 0.000 0.218 256 D C 0.365 176.665 176.300 0.002 0.000 1.112 256 D CA 0.260 54.258 54.000 -0.004 0.000 0.834 256 D CB 0.314 41.115 40.800 0.001 0.000 0.953 256 D HN 0.254 nan 8.370 nan 0.000 0.505 257 G N 1.636 110.436 108.800 0.000 0.000 2.386 257 G HA2 -0.281 3.680 3.960 0.002 0.000 0.295 257 G HA3 -0.281 3.680 3.960 0.002 0.000 0.295 257 G C 0.703 175.610 174.900 0.012 0.000 0.979 257 G CA 0.015 45.118 45.100 0.005 0.000 1.193 257 G HN 0.276 nan 8.290 nan 0.000 0.508 258 L N -0.464 120.777 121.223 0.031 0.000 2.513 258 L HA 0.714 5.055 4.340 0.002 0.000 0.222 258 L C 1.534 178.444 176.870 0.067 0.000 1.096 258 L CA 1.709 56.574 54.840 0.043 0.000 0.857 258 L CB -0.027 42.065 42.059 0.054 0.000 1.026 258 L HN 1.102 nan 8.230 nan 0.000 0.469 259 A N -1.644 121.223 122.820 0.078 0.000 2.566 259 A HA 0.647 4.968 4.320 0.002 0.000 0.290 259 A C -0.171 177.451 177.584 0.063 0.000 1.071 259 A CA -0.369 51.730 52.037 0.103 0.000 0.658 259 A CB 0.635 19.728 19.000 0.155 0.000 1.285 259 A HN -0.030 nan 8.150 nan 0.000 0.427 260 E N -0.906 119.333 120.200 0.064 0.000 2.514 260 E HA 0.381 4.732 4.350 0.002 0.000 0.215 260 E C -0.538 176.035 176.600 -0.045 0.000 0.946 260 E CA 0.526 56.931 56.400 0.007 0.000 1.038 260 E CB 1.465 31.196 29.700 0.051 0.000 1.069 260 E HN 0.392 nan 8.360 nan 0.000 0.503 261 V N 1.749 121.679 119.914 0.027 0.000 2.623 261 V HA 0.338 4.459 4.120 0.002 0.000 0.304 261 V C -1.243 174.989 176.094 0.229 0.000 1.054 261 V CA -0.896 61.446 62.300 0.071 0.000 0.882 261 V CB 1.486 33.445 31.823 0.227 0.000 1.002 261 V HN -0.023 nan 8.190 nan 0.000 0.424 262 F N 2.602 122.609 119.950 0.095 0.000 2.411 262 F HA 0.572 5.098 4.527 -0.002 0.000 0.355 262 F C 1.116 176.993 175.800 0.128 0.000 1.117 262 F CA -1.371 56.680 58.000 0.085 0.000 1.139 262 F CB 1.375 40.408 39.000 0.054 0.000 1.120 262 F HN 0.556 nan 8.300 nan 0.000 0.493 263 G N 5.993 114.968 108.800 0.292 0.000 3.058 263 G HA2 0.404 4.365 3.960 0.002 0.000 0.316 263 G HA3 0.404 4.365 3.960 0.002 0.000 0.316 263 G C 0.176 175.145 174.900 0.116 0.000 0.951 263 G CA -0.411 44.797 45.100 0.180 0.000 1.535 263 G HN 0.561 nan 8.290 nan 0.000 0.500 264 I N 0.630 121.286 120.570 0.143 0.000 2.752 264 I HA 0.124 4.295 4.170 0.002 0.000 0.287 264 I C 0.347 176.514 176.117 0.083 0.000 1.188 264 I CA 0.520 61.871 61.300 0.085 0.000 1.427 264 I CB 0.908 38.962 38.000 0.090 0.000 1.365 264 I HN 0.178 nan 8.210 nan 0.000 0.585 265 K N 5.402 125.845 120.400 0.071 0.000 2.613 265 K HA 0.342 4.663 4.320 0.002 0.000 0.248 265 K C 0.384 177.047 176.600 0.106 0.000 0.959 265 K CA -0.530 55.816 56.287 0.098 0.000 0.855 265 K CB 1.934 34.490 32.500 0.092 0.000 1.143 265 K HN 0.495 nan 8.250 nan 0.000 0.437 266 L N 1.978 123.271 121.223 0.117 0.000 2.012 266 L HA -0.280 4.061 4.340 0.002 0.000 0.210 266 L C 2.188 179.132 176.870 0.124 0.000 1.073 266 L CA 1.591 56.494 54.840 0.106 0.000 0.748 266 L CB -0.248 41.870 42.059 0.099 0.000 0.891 266 L HN 0.761 nan 8.230 nan 0.000 0.431 267 N N 0.106 118.898 118.700 0.154 0.000 2.084 267 N HA -0.255 4.486 4.740 0.002 0.000 0.190 267 N C 2.101 177.730 175.510 0.197 0.000 1.030 267 N CA 1.329 54.489 53.050 0.184 0.000 0.849 267 N CB 0.017 38.631 38.487 0.211 0.000 1.012 267 N HN 0.239 nan 8.380 nan 0.000 0.423 268 R N 0.577 121.181 120.500 0.173 0.000 2.112 268 R HA -0.152 4.189 4.340 0.002 0.000 0.242 268 R C 2.195 178.573 176.300 0.130 0.000 1.137 268 R CA 2.195 58.388 56.100 0.155 0.000 0.944 268 R CB -0.357 30.010 30.300 0.111 0.000 0.857 268 R HN 0.323 nan 8.270 nan 0.000 0.435 269 V N -3.109 116.861 119.914 0.093 0.000 3.461 269 V HA 0.300 4.421 4.120 0.002 0.000 0.267 269 V C 0.961 177.097 176.094 0.071 0.000 1.186 269 V CA 0.990 63.325 62.300 0.060 0.000 1.154 269 V CB 0.227 32.064 31.823 0.023 0.000 0.802 269 V HN 0.571 nan 8.190 nan 0.000 0.474 270 G N -1.540 107.319 108.800 0.098 0.000 2.138 270 G HA2 0.296 4.257 3.960 0.002 0.000 0.193 270 G HA3 0.296 4.257 3.960 0.002 0.000 0.193 270 G C 1.100 176.060 174.900 0.100 0.000 0.998 270 G CA 0.081 45.238 45.100 0.095 0.000 0.668 270 G HN 2.246 nan 8.290 nan 0.000 0.516 271 G N -1.207 107.652 108.800 0.100 0.000 2.587 271 G HA2 -0.052 3.909 3.960 0.002 0.000 0.212 271 G HA3 -0.052 3.909 3.960 0.002 0.000 0.212 271 G C 0.902 175.841 174.900 0.064 0.000 1.327 271 G CA 0.082 45.240 45.100 0.097 0.000 0.898 271 G HN 1.080 nan 8.290 nan 0.000 0.551 272 L N -0.055 121.188 121.223 0.033 0.000 1.976 272 L HA -0.056 4.285 4.340 0.002 0.000 0.209 272 L C 3.387 180.220 176.870 -0.061 0.000 1.071 272 L CA 2.547 57.312 54.840 -0.126 0.000 0.746 272 L CB -0.996 40.782 42.059 -0.468 0.000 0.890 272 L HN 0.785 nan 8.230 nan 0.000 0.432 273 T N -0.174 114.482 114.554 0.169 0.000 2.737 273 T HA -0.220 4.131 4.350 0.002 0.000 0.269 273 T C 1.768 176.554 174.700 0.144 0.000 1.040 273 T CA 1.753 64.022 62.100 0.281 0.000 1.142 273 T CB -0.269 68.833 68.868 0.391 0.000 0.861 273 T HN 0.442 nan 8.240 nan 0.000 0.456 274 R N 0.792 121.357 120.500 0.108 0.000 2.290 274 R HA 0.456 4.797 4.340 0.002 0.000 0.197 274 R C 2.365 178.691 176.300 0.043 0.000 0.913 274 R CA 0.738 56.882 56.100 0.072 0.000 1.040 274 R CB -0.212 30.128 30.300 0.067 0.000 0.992 274 R HN 0.312 nan 8.270 nan 0.000 0.500 275 A N 1.864 124.704 122.820 0.033 0.000 1.968 275 A HA 0.120 4.441 4.320 0.002 0.000 0.217 275 A C 2.455 180.053 177.584 0.023 0.000 1.169 275 A CA 1.188 53.237 52.037 0.020 0.000 0.638 275 A CB -0.458 18.551 19.000 0.016 0.000 0.812 275 A HN 0.450 nan 8.150 nan 0.000 0.446 276 A N 0.353 123.180 122.820 0.011 0.000 1.948 276 A HA -0.236 4.086 4.320 0.002 0.000 0.220 276 A C 2.245 179.858 177.584 0.049 0.000 1.177 276 A CA 1.739 53.784 52.037 0.015 0.000 0.636 276 A CB -0.465 18.542 19.000 0.012 0.000 0.815 276 A HN 0.595 nan 8.150 nan 0.000 0.449 277 R N -1.051 119.484 120.500 0.059 0.000 2.119 277 R HA 0.088 4.429 4.340 0.002 0.000 0.222 277 R C 2.151 178.503 176.300 0.086 0.000 1.088 277 R CA 1.254 57.396 56.100 0.070 0.000 0.984 277 R CB -0.366 29.973 30.300 0.064 0.000 0.884 277 R HN 0.584 nan 8.270 nan 0.000 0.447 278 M N 0.309 119.952 119.600 0.073 0.000 2.229 278 M HA -0.088 4.393 4.480 0.002 0.000 0.264 278 M C 2.422 178.855 176.300 0.223 0.000 1.063 278 M CA 1.347 56.711 55.300 0.106 0.000 1.114 278 M CB -0.366 32.218 32.600 -0.027 0.000 1.387 278 M HN 0.046 nan 8.290 nan 0.000 0.420 279 R N 1.287 121.873 120.500 0.143 0.000 2.070 279 R HA -0.160 4.181 4.340 0.002 0.000 0.233 279 R C 1.426 177.788 176.300 0.104 0.000 1.137 279 R CA 2.027 58.198 56.100 0.118 0.000 0.945 279 R CB -0.496 29.837 30.300 0.055 0.000 0.845 279 R HN 0.309 nan 8.270 nan 0.000 0.430 280 D N 0.755 121.209 120.400 0.090 0.000 2.133 280 D HA -0.213 4.428 4.640 0.002 0.000 0.192 280 D C 2.024 178.394 176.300 0.117 0.000 1.001 280 D CA 1.546 55.595 54.000 0.083 0.000 0.844 280 D CB -0.280 40.567 40.800 0.078 0.000 0.944 280 D HN 0.343 nan 8.370 nan 0.000 0.447 281 I N 0.860 121.538 120.570 0.179 0.000 2.202 281 I HA -0.228 3.943 4.170 0.002 0.000 0.242 281 I C 2.510 178.801 176.117 0.291 0.000 1.091 281 I CA 0.938 62.404 61.300 0.276 0.000 1.368 281 I CB -0.151 38.019 38.000 0.284 0.000 1.058 281 I HN -0.076 nan 8.210 nan 0.000 0.410 282 A N 0.884 123.841 122.820 0.228 0.000 1.883 282 A HA -0.199 4.122 4.320 0.002 0.000 0.217 282 A C 2.260 179.835 177.584 -0.014 0.000 1.186 282 A CA 1.512 53.544 52.037 -0.009 0.000 0.624 282 A CB -0.979 17.968 19.000 -0.089 0.000 0.822 282 A HN 0.406 nan 8.150 nan 0.000 0.444 283 L N -0.085 121.146 121.223 0.013 0.000 2.191 283 L HA -0.156 4.185 4.340 0.002 0.000 0.212 283 L C 2.825 179.680 176.870 -0.024 0.000 1.103 283 L CA 1.746 56.580 54.840 -0.011 0.000 0.769 283 L CB -0.712 41.343 42.059 -0.007 0.000 0.908 283 L HN 0.699 nan 8.230 nan 0.000 0.438 284 T N -5.365 109.165 114.554 -0.041 0.000 3.035 284 T HA -0.067 4.284 4.350 0.002 0.000 0.259 284 T C 1.320 175.818 174.700 -0.336 0.000 1.078 284 T CA 0.400 62.392 62.100 -0.180 0.000 1.132 284 T CB -0.208 68.532 68.868 -0.214 0.000 0.900 284 T HN 0.349 nan 8.240 nan 0.000 0.480 285 H N 1.292 120.352 119.070 -0.016 0.000 2.550 285 H HA 0.430 4.988 4.556 0.003 0.000 0.304 285 H C 1.548 176.836 175.328 -0.068 0.000 1.086 285 H CA -0.032 55.997 56.048 -0.033 0.000 1.089 285 H CB -0.250 29.498 29.762 -0.024 0.000 1.528 285 H HN 0.581 nan 8.280 nan 0.000 0.539 286 G N 1.717 110.518 108.800 0.002 0.000 2.273 286 G HA2 -0.253 3.708 3.960 0.002 0.000 0.280 286 G HA3 -0.253 3.708 3.960 0.002 0.000 0.280 286 G C 0.001 174.868 174.900 -0.056 0.000 1.047 286 G CA -0.011 45.080 45.100 -0.015 0.000 0.869 286 G HN 0.367 nan 8.290 nan 0.000 0.502 287 I N -0.001 120.492 120.570 -0.129 0.000 2.474 287 I HA 0.370 4.541 4.170 0.002 0.000 0.294 287 I C -0.608 175.357 176.117 -0.253 0.000 1.005 287 I CA -0.670 60.476 61.300 -0.257 0.000 1.113 287 I CB 1.842 39.510 38.000 -0.554 0.000 1.289 287 I HN -0.072 nan 8.210 nan 0.000 0.436 288 D N 5.537 125.800 120.400 -0.229 0.000 2.181 288 D HA 0.601 5.242 4.640 0.002 0.000 0.248 288 D C -0.439 175.735 176.300 -0.209 0.000 1.020 288 D CA -0.257 53.581 54.000 -0.270 0.000 0.891 288 D CB 1.992 42.584 40.800 -0.346 0.000 1.187 288 D HN 0.254 nan 8.370 nan 0.000 0.443 289 M N 1.008 120.462 119.600 -0.244 0.000 2.508 289 M HA 0.460 4.941 4.480 0.002 0.000 0.327 289 M C -0.891 175.295 176.300 -0.189 0.000 1.160 289 M CA -0.606 54.651 55.300 -0.073 0.000 0.980 289 M CB 1.777 34.374 32.600 -0.005 0.000 1.693 289 M HN 0.172 nan 8.290 nan 0.000 0.452 290 F N 1.178 121.128 119.950 0.001 0.000 2.458 290 F HA 0.639 5.166 4.527 0.001 0.000 0.336 290 F C -0.482 175.330 175.800 0.019 0.000 1.114 290 F CA -0.854 57.151 58.000 0.008 0.000 0.987 290 F CB 1.362 40.366 39.000 0.006 0.000 1.130 290 F HN 0.112 nan 8.300 nan 0.000 0.458 291 V N 5.661 125.678 119.914 0.172 0.000 2.407 291 V HA 0.552 4.674 4.120 0.002 0.000 0.291 291 V C -0.257 175.929 176.094 0.152 0.000 1.018 291 V CA -0.617 61.760 62.300 0.129 0.000 0.842 291 V CB 1.372 33.235 31.823 0.067 0.000 0.996 291 V HN 0.701 nan 8.190 nan 0.000 0.426 292 M N 3.318 123.020 119.600 0.170 0.000 2.484 292 M HA 0.817 5.298 4.480 0.002 0.000 0.289 292 M C -0.315 176.132 176.300 0.245 0.000 1.206 292 M CA -0.698 54.751 55.300 0.248 0.000 0.892 292 M CB 2.156 34.947 32.600 0.320 0.000 1.712 292 M HN 0.513 nan 8.290 nan 0.000 0.462 293 A N 0.926 123.907 122.820 0.268 0.000 2.406 293 A HA 0.309 4.630 4.320 0.002 0.000 0.243 293 A C 1.160 178.964 177.584 0.367 0.000 1.082 293 A CA 0.440 52.622 52.037 0.243 0.000 0.786 293 A CB 0.423 19.521 19.000 0.162 0.000 1.029 293 A HN 0.999 nan 8.150 nan 0.000 0.495 294 T N 0.238 114.972 114.554 0.299 0.000 2.833 294 T HA 0.318 4.669 4.350 0.002 0.000 0.269 294 T C 0.832 175.837 174.700 0.509 0.000 1.054 294 T CA 2.095 64.390 62.100 0.325 0.000 1.135 294 T CB -0.436 68.586 68.868 0.258 0.000 0.869 294 T HN 1.977 nan 8.240 nan 0.000 0.466 295 G N -2.204 106.875 108.800 0.464 0.000 2.316 295 G HA2 0.519 4.480 3.960 0.002 0.000 0.296 295 G HA3 0.519 4.480 3.960 0.002 0.000 0.296 295 G C -0.220 174.810 174.900 0.217 0.000 1.399 295 G CA -0.230 45.160 45.100 0.484 0.000 0.833 295 G HN 0.976 nan 8.290 nan 0.000 0.565 296 G N -1.239 107.644 108.800 0.138 0.000 2.343 296 G HA2 0.519 4.480 3.960 0.002 0.000 0.562 296 G HA3 0.519 4.480 3.960 0.002 0.000 0.562 296 G C 0.446 175.332 174.900 -0.024 0.000 1.269 296 G CA 0.715 45.848 45.100 0.055 0.000 1.011 296 G HN 2.309 nan 8.290 nan 0.000 0.498 297 S N -1.786 113.899 115.700 -0.025 0.000 2.477 297 S HA 0.485 4.956 4.470 0.002 0.000 0.261 297 S C 1.793 176.351 174.600 -0.069 0.000 1.197 297 S CA 1.101 59.269 58.200 -0.054 0.000 1.015 297 S CB 1.004 64.171 63.200 -0.054 0.000 1.077 297 S HN 2.039 nan 8.310 nan 0.000 0.505 298 V N 0.776 120.651 119.914 -0.065 0.000 2.667 298 V HA 0.059 4.180 4.120 0.002 0.000 0.252 298 V C 2.083 178.161 176.094 -0.026 0.000 1.065 298 V CA 1.571 63.837 62.300 -0.056 0.000 1.083 298 V CB -0.987 30.806 31.823 -0.050 0.000 0.692 298 V HN 0.714 nan 8.190 nan 0.000 0.468 299 L N 0.198 121.406 121.223 -0.024 0.000 2.191 299 L HA -0.090 4.251 4.340 0.002 0.000 0.212 299 L C 2.658 179.556 176.870 0.048 0.000 1.103 299 L CA 1.403 56.252 54.840 0.015 0.000 0.769 299 L CB -0.820 41.235 42.059 -0.006 0.000 0.908 299 L HN 0.422 nan 8.230 nan 0.000 0.438 300 A N -0.227 122.609 122.820 0.026 0.000 1.898 300 A HA -0.142 4.179 4.320 0.002 0.000 0.214 300 A C 1.953 179.554 177.584 0.029 0.000 1.183 300 A CA 1.297 53.360 52.037 0.044 0.000 0.622 300 A CB -0.276 18.745 19.000 0.036 0.000 0.824 300 A HN 0.318 nan 8.150 nan 0.000 0.444 301 D N 0.459 120.846 120.400 -0.021 0.000 2.144 301 D HA -0.040 4.601 4.640 0.002 0.000 0.200 301 D C 2.192 178.494 176.300 0.003 0.000 0.978 301 D CA 1.323 55.303 54.000 -0.033 0.000 0.833 301 D CB -0.323 40.424 40.800 -0.087 0.000 0.961 301 D HN 0.419 nan 8.370 nan 0.000 0.470 302 A N 1.301 124.138 122.820 0.028 0.000 1.902 302 A HA -0.226 4.095 4.320 0.002 0.000 0.217 302 A C 2.142 179.820 177.584 0.157 0.000 1.181 302 A CA 1.626 53.705 52.037 0.069 0.000 0.623 302 A CB -0.528 18.545 19.000 0.122 0.000 0.818 302 A HN 0.211 nan 8.150 nan 0.000 0.443 303 E N -0.180 120.111 120.200 0.153 0.000 2.047 303 E HA -0.125 4.226 4.350 0.002 0.000 0.191 303 E C 2.182 178.847 176.600 0.108 0.000 0.987 303 E CA 1.008 57.501 56.400 0.155 0.000 0.799 303 E CB -0.243 29.526 29.700 0.115 0.000 0.752 303 E HN 0.511 nan 8.360 nan 0.000 0.449 304 A N 0.989 123.857 122.820 0.080 0.000 1.972 304 A HA -0.156 4.165 4.320 0.002 0.000 0.219 304 A C 2.071 179.672 177.584 0.029 0.000 1.169 304 A CA 1.006 53.082 52.037 0.065 0.000 0.635 304 A CB -0.452 18.602 19.000 0.090 0.000 0.810 304 A HN 0.349 nan 8.150 nan 0.000 0.446 305 L N -0.821 120.397 121.223 -0.008 0.000 2.072 305 L HA -0.093 4.248 4.340 0.002 0.000 0.205 305 L C 2.319 179.115 176.870 -0.123 0.000 1.079 305 L CA 1.909 56.698 54.840 -0.086 0.000 0.752 305 L CB -0.866 41.107 42.059 -0.144 0.000 0.906 305 L HN 0.503 nan 8.230 nan 0.000 0.436 306 H N -1.044 118.011 119.070 -0.025 0.000 2.352 306 H HA -0.182 4.375 4.556 0.001 0.000 0.299 306 H C 2.184 177.465 175.328 -0.080 0.000 1.097 306 H CA 2.061 58.078 56.048 -0.051 0.000 1.311 306 H CB -0.170 29.552 29.762 -0.066 0.000 1.377 306 H HN 0.293 nan 8.280 nan 0.000 0.504 307 L N 0.804 122.049 121.223 0.036 0.000 2.005 307 L HA -0.061 4.280 4.340 0.002 0.000 0.207 307 L C 2.667 179.525 176.870 -0.021 0.000 1.072 307 L CA 1.783 56.613 54.840 -0.016 0.000 0.744 307 L CB -0.794 41.255 42.059 -0.016 0.000 0.895 307 L HN 0.165 nan 8.230 nan 0.000 0.433 308 A N -0.520 122.288 122.820 -0.020 0.000 1.986 308 A HA -0.197 4.124 4.320 0.002 0.000 0.220 308 A C 2.417 179.968 177.584 -0.055 0.000 1.171 308 A CA 1.865 53.878 52.037 -0.039 0.000 0.640 308 A CB -1.144 17.833 19.000 -0.039 0.000 0.811 308 A HN 0.602 nan 8.150 nan 0.000 0.451 309 A N -0.262 122.527 122.820 -0.051 0.000 1.902 309 A HA -0.096 4.225 4.320 0.002 0.000 0.217 309 A C 2.328 179.892 177.584 -0.033 0.000 1.181 309 A CA 2.292 54.302 52.037 -0.046 0.000 0.623 309 A CB -1.390 17.583 19.000 -0.045 0.000 0.818 309 A HN 0.885 nan 8.150 nan 0.000 0.443 310 T N -1.918 112.618 114.554 -0.029 0.000 3.163 310 T HA 0.255 4.606 4.350 0.002 0.000 0.260 310 T C 0.460 175.139 174.700 -0.036 0.000 1.156 310 T CA 0.228 62.312 62.100 -0.027 0.000 1.072 310 T CB -0.714 68.134 68.868 -0.033 0.000 0.937 310 T HN 0.287 nan 8.240 nan 0.000 0.528 311 I N 3.031 123.568 120.570 -0.055 0.000 2.359 311 I HA 0.366 4.537 4.170 0.002 0.000 0.294 311 I C -2.194 173.860 176.117 -0.105 0.000 0.987 311 I CA -3.183 58.064 61.300 -0.088 0.000 1.225 311 I CB 1.543 39.474 38.000 -0.116 0.000 1.366 311 I HN -0.080 nan 8.210 nan 0.000 0.466 312 P HA 0.000 nan 4.420 nan 0.000 0.266 312 P C -0.356 176.836 177.300 -0.180 0.000 1.195 312 P CA 0.006 63.044 63.100 -0.102 0.000 0.768 312 P CB 0.487 32.154 31.700 -0.055 0.000 0.838 313 D N 0.929 121.282 120.400 -0.078 0.000 2.218 313 D HA -0.253 4.388 4.640 0.002 0.000 0.204 313 D C 1.707 177.954 176.300 -0.088 0.000 0.976 313 D CA 1.235 55.188 54.000 -0.079 0.000 0.853 313 D CB -0.883 39.904 40.800 -0.021 0.000 0.939 313 D HN 0.601 nan 8.370 nan 0.000 0.481 314 H N 0.687 119.727 119.070 -0.050 0.000 2.456 314 H HA 0.157 4.714 4.556 0.001 0.000 0.296 314 H C 1.360 176.620 175.328 -0.113 0.000 1.079 314 H CA 1.307 57.325 56.048 -0.049 0.000 1.322 314 H CB -0.097 29.644 29.762 -0.036 0.000 1.388 314 H HN 0.272 nan 8.280 nan 0.000 0.538 315 A N 0.436 122.748 122.820 -0.846 0.000 2.379 315 A HA 0.278 4.599 4.320 0.002 0.000 0.236 315 A C 0.429 177.715 177.584 -0.497 0.000 1.272 315 A CA 0.107 51.732 52.037 -0.686 0.000 0.886 315 A CB -0.557 18.012 19.000 -0.718 0.000 0.962 315 A HN 0.458 nan 8.150 nan 0.000 0.504 316 C N -0.650 118.395 119.300 -0.426 0.000 2.654 316 C HA 0.519 4.980 4.460 0.002 0.000 0.315 316 C C 1.043 175.839 174.990 -0.323 0.000 1.054 316 C CA -0.533 58.273 59.018 -0.353 0.000 1.419 316 C CB -1.388 26.222 27.740 -0.218 0.000 1.889 316 C HN 0.758 nan 8.230 nan 0.000 0.447 317 H N 2.598 121.355 119.070 -0.522 0.000 2.395 317 H HA 0.293 4.850 4.556 0.001 0.000 0.299 317 H C 1.086 176.158 175.328 -0.427 0.000 1.070 317 H CA 1.125 56.819 56.048 -0.591 0.000 1.356 317 H CB 0.467 29.598 29.762 -1.052 0.000 1.401 317 H HN 0.785 nan 8.280 nan 0.000 0.524 318 A N -0.147 122.523 122.820 -0.250 0.000 2.590 318 A HA 0.470 4.791 4.320 0.002 0.000 0.294 318 A C -1.170 176.445 177.584 0.051 0.000 1.046 318 A CA -0.709 51.295 52.037 -0.055 0.000 0.684 318 A CB 0.624 19.662 19.000 0.063 0.000 1.279 318 A HN -0.004 nan 8.150 nan 0.000 0.415 319 V N -0.562 119.384 119.914 0.054 0.000 3.352 319 V HA 0.828 4.949 4.120 0.002 0.000 0.299 319 V C -0.599 175.633 176.094 0.230 0.000 1.228 319 V CA -0.506 61.864 62.300 0.117 0.000 1.017 319 V CB 1.835 33.686 31.823 0.046 0.000 1.237 319 V HN 1.167 nan 8.190 nan 0.000 0.472 320 W N -0.014 121.288 121.300 0.003 0.000 3.138 320 W HA 0.743 5.405 4.660 0.003 0.000 0.331 320 W C -0.965 175.569 176.519 0.024 0.000 1.166 320 W CA -1.119 56.229 57.345 0.005 0.000 1.212 320 W CB 1.550 30.995 29.460 -0.025 0.000 1.399 320 W HN 0.673 nan 8.180 nan 0.000 0.514 321 A N 4.050 126.721 122.820 -0.248 0.000 2.328 321 A HA 0.436 4.757 4.320 0.002 0.000 0.318 321 A C 0.355 177.474 177.584 -0.775 0.000 1.347 321 A CA -0.315 51.493 52.037 -0.381 0.000 0.842 321 A CB 0.527 19.470 19.000 -0.095 0.000 1.148 321 A HN 0.953 nan 8.150 nan 0.000 0.499 322 C N 1.743 120.409 119.300 -1.058 0.000 2.481 322 C HA -0.025 4.436 4.460 0.002 0.000 0.275 322 C C 2.276 177.063 174.990 -0.338 0.000 1.419 322 C CA 0.888 59.300 59.018 -1.010 0.000 1.773 322 C CB -0.973 26.138 27.740 -1.048 0.000 1.862 322 C HN 0.866 nan 8.230 nan 0.000 0.530 323 Q N 0.912 120.564 119.800 -0.246 0.000 2.124 323 Q HA -0.171 4.170 4.340 0.002 0.000 0.202 323 Q C 1.382 177.355 176.000 -0.045 0.000 0.977 323 Q CA 1.993 57.730 55.803 -0.109 0.000 0.850 323 Q CB -0.503 28.183 28.738 -0.088 0.000 0.901 323 Q HN 0.710 nan 8.270 nan 0.000 0.429 324 D N -0.697 119.690 120.400 -0.023 0.000 2.378 324 D HA -0.096 4.545 4.640 0.002 0.000 0.222 324 D C 1.353 177.710 176.300 0.095 0.000 0.980 324 D CA 0.560 54.597 54.000 0.063 0.000 0.907 324 D CB 0.146 41.039 40.800 0.157 0.000 0.899 324 D HN 0.173 nan 8.370 nan 0.000 0.527 325 M N -0.108 119.542 119.600 0.084 0.000 2.441 325 M HA 0.177 4.658 4.480 0.002 0.000 0.244 325 M C 0.100 176.477 176.300 0.128 0.000 1.122 325 M CA 0.364 55.767 55.300 0.172 0.000 1.041 325 M CB 0.259 33.031 32.600 0.287 0.000 1.438 325 M HN -0.027 nan 8.290 nan 0.000 0.484 326 L N -0.910 120.347 121.223 0.058 0.000 2.334 326 L HA 0.317 4.658 4.340 0.002 0.000 0.272 326 L C 1.393 178.262 176.870 -0.002 0.000 1.020 326 L CA -0.340 54.514 54.840 0.024 0.000 0.812 326 L CB 1.742 43.802 42.059 0.001 0.000 1.264 326 L HN -0.153 nan 8.230 nan 0.000 0.439 327 T N 0.506 115.049 114.554 -0.017 0.000 3.044 327 T HA 0.171 4.522 4.350 0.002 0.000 0.250 327 T C 0.349 175.031 174.700 -0.030 0.000 1.081 327 T CA 0.190 62.271 62.100 -0.032 0.000 1.040 327 T CB 0.181 69.022 68.868 -0.045 0.000 0.962 327 T HN 0.196 nan 8.240 nan 0.000 0.506 328 V N 1.859 121.757 119.914 -0.028 0.000 2.850 328 V HA 0.532 4.653 4.120 0.002 0.000 0.315 328 V C -0.739 175.334 176.094 -0.034 0.000 1.064 328 V CA -0.944 61.338 62.300 -0.031 0.000 0.979 328 V CB 1.916 33.721 31.823 -0.031 0.000 1.039 328 V HN 0.235 nan 8.190 nan 0.000 0.452 329 D N 2.275 122.652 120.400 -0.039 0.000 2.620 329 D HA 0.315 4.956 4.640 0.002 0.000 0.252 329 D C 0.242 176.506 176.300 -0.060 0.000 1.207 329 D CA -0.465 53.507 54.000 -0.047 0.000 0.884 329 D CB 1.551 42.327 40.800 -0.040 0.000 1.262 329 D HN 0.475 nan 8.370 nan 0.000 0.552 330 I N 0.893 121.417 120.570 -0.078 0.000 3.861 330 I HA 0.475 4.646 4.170 0.002 0.000 0.329 330 I C 0.777 176.816 176.117 -0.131 0.000 1.321 330 I CA -0.245 60.991 61.300 -0.107 0.000 1.126 330 I CB 0.541 38.463 38.000 -0.130 0.000 1.018 330 I HN 0.243 nan 8.210 nan 0.000 0.407 331 A N 1.026 123.785 122.820 -0.102 0.000 2.624 331 A HA 0.572 4.893 4.320 0.002 0.000 0.287 331 A C 1.457 179.001 177.584 -0.066 0.000 1.087 331 A CA 0.159 52.137 52.037 -0.098 0.000 0.964 331 A CB -0.382 18.560 19.000 -0.095 0.000 1.231 331 A HN 0.607 nan 8.150 nan 0.000 0.551 332 G N -0.277 108.488 108.800 -0.058 0.000 2.424 332 G HA2 0.126 4.087 3.960 0.002 0.000 0.294 332 G HA3 0.126 4.087 3.960 0.002 0.000 0.294 332 G C 1.544 176.422 174.900 -0.035 0.000 0.939 332 G CA 1.360 46.434 45.100 -0.043 0.000 1.143 332 G HN 2.161 nan 8.290 nan 0.000 0.507 333 G N -1.329 107.450 108.800 -0.035 0.000 2.258 333 G HA2 -0.266 3.695 3.960 0.002 0.000 0.233 333 G HA3 -0.266 3.695 3.960 0.002 0.000 0.233 333 G C 0.694 175.578 174.900 -0.026 0.000 1.006 333 G CA 0.607 45.691 45.100 -0.028 0.000 0.620 333 G HN 0.970 nan 8.290 nan 0.000 0.511 334 R N 0.863 121.344 120.500 -0.030 0.000 2.641 334 R HA 0.498 4.839 4.340 0.002 0.000 0.269 334 R C 0.905 177.194 176.300 -0.019 0.000 1.074 334 R CA 0.791 56.877 56.100 -0.024 0.000 1.133 334 R CB 0.514 30.797 30.300 -0.027 0.000 1.029 334 R HN 1.638 nan 8.270 nan 0.000 0.488 335 G N 1.941 110.738 108.800 -0.005 0.000 2.663 335 G HA2 -0.151 3.810 3.960 0.002 0.000 0.686 335 G HA3 -0.151 3.810 3.960 0.002 0.000 0.686 335 G C -2.728 172.175 174.900 0.004 0.000 1.288 335 G CA -1.264 43.840 45.100 0.005 0.000 0.836 335 G HN 0.464 nan 8.290 nan 0.000 0.584 336 P HA 0.383 nan 4.420 nan 0.000 0.264 336 P C 0.012 177.313 177.300 0.002 0.000 1.229 336 P CA 0.264 63.369 63.100 0.008 0.000 0.780 336 P CB 0.784 32.475 31.700 -0.015 0.000 0.808 337 R N 2.665 123.176 120.500 0.018 0.000 2.828 337 R HA 0.324 4.665 4.340 0.002 0.000 0.264 337 R C 0.513 176.830 176.300 0.028 0.000 1.022 337 R CA -1.238 54.867 56.100 0.010 0.000 1.021 337 R CB 0.170 30.473 30.300 0.004 0.000 1.163 337 R HN 0.253 nan 8.270 nan 0.000 0.494 338 N N 1.965 120.669 118.700 0.008 0.000 2.416 338 N HA -0.031 4.710 4.740 0.002 0.000 0.291 338 N C -0.871 174.645 175.510 0.010 0.000 1.257 338 N CA 0.384 53.428 53.050 -0.009 0.000 1.043 338 N CB -0.313 38.158 38.487 -0.027 0.000 1.441 338 N HN 0.401 nan 8.380 nan 0.000 0.490 339 I N 2.522 123.138 120.570 0.077 0.000 2.282 339 I HA 0.065 4.236 4.170 0.002 0.000 0.290 339 I C 0.506 176.684 176.117 0.102 0.000 1.090 339 I CA -0.425 60.939 61.300 0.106 0.000 1.231 339 I CB 0.162 38.263 38.000 0.168 0.000 1.434 339 I HN 0.356 nan 8.210 nan 0.000 0.487 340 D N 6.020 126.427 120.400 0.010 0.000 3.082 340 D HA -0.181 4.460 4.640 0.002 0.000 0.234 340 D C 1.185 177.497 176.300 0.021 0.000 1.159 340 D CA 1.252 55.242 54.000 -0.018 0.000 0.875 340 D CB -0.323 40.466 40.800 -0.018 0.000 0.946 340 D HN 1.097 nan 8.370 nan 0.000 0.411 341 G N 1.099 109.817 108.800 -0.137 0.000 2.186 341 G HA2 -0.326 3.635 3.960 0.002 0.000 0.266 341 G HA3 -0.326 3.635 3.960 0.002 0.000 0.266 341 G C 0.109 174.962 174.900 -0.080 0.000 0.982 341 G CA 1.199 46.161 45.100 -0.230 0.000 0.670 341 G HN 0.784 nan 8.290 nan 0.000 0.533 342 H N -1.935 117.016 119.070 -0.198 0.000 2.930 342 H HA 0.677 5.234 4.556 0.002 0.000 0.371 342 H C -0.669 174.493 175.328 -0.276 0.000 1.169 342 H CA -0.893 55.016 56.048 -0.231 0.000 1.157 342 H CB 1.426 31.009 29.762 -0.297 0.000 1.789 342 H HN 0.122 nan 8.280 nan 0.000 0.547 343 L N 2.731 123.846 121.223 -0.180 0.000 2.307 343 L HA 0.322 4.663 4.340 0.002 0.000 0.282 343 L C -0.413 176.282 176.870 -0.292 0.000 1.051 343 L CA -0.273 54.471 54.840 -0.161 0.000 0.804 343 L CB 0.492 42.497 42.059 -0.091 0.000 1.197 343 L HN 0.689 nan 8.230 nan 0.000 0.431 344 H N 2.917 121.978 119.070 -0.014 0.000 2.504 344 H HA 0.424 4.982 4.556 0.002 0.000 0.322 344 H C -0.470 174.827 175.328 -0.053 0.000 1.055 344 H CA -0.863 55.171 56.048 -0.023 0.000 1.231 344 H CB 1.320 31.070 29.762 -0.020 0.000 1.417 344 H HN 0.464 nan 8.280 nan 0.000 0.472 345 L N 5.537 126.769 121.223 0.015 0.000 2.584 345 L HA 0.173 4.514 4.340 0.002 0.000 0.272 345 L C -2.242 174.617 176.870 -0.019 0.000 1.195 345 L CA -0.999 53.802 54.840 -0.065 0.000 0.920 345 L CB 0.171 42.182 42.059 -0.078 0.000 1.173 345 L HN 0.470 nan 8.230 nan 0.000 0.489 346 P HA 0.094 nan 4.420 nan 0.000 0.268 346 P C -0.373 176.958 177.300 0.052 0.000 1.205 346 P CA -0.074 63.038 63.100 0.020 0.000 0.771 346 P CB 0.768 32.494 31.700 0.044 0.000 0.858 347 E N -0.038 120.190 120.200 0.047 0.000 2.474 347 E HA 0.036 4.388 4.350 0.002 0.000 0.194 347 E C -0.093 176.542 176.600 0.058 0.000 1.041 347 E CA 0.442 56.871 56.400 0.049 0.000 0.874 347 E CB -0.240 29.477 29.700 0.029 0.000 0.914 347 E HN 0.392 nan 8.360 nan 0.000 0.498 348 T N 2.802 117.394 114.554 0.064 0.000 2.907 348 T HA 0.233 4.584 4.350 0.002 0.000 0.298 348 T C -2.474 172.271 174.700 0.074 0.000 1.017 348 T CA -1.440 60.692 62.100 0.055 0.000 1.118 348 T CB 1.053 69.946 68.868 0.041 0.000 0.948 348 T HN -0.057 nan 8.240 nan 0.000 0.531 349 P HA 0.229 nan 4.420 nan 0.000 0.265 349 P C 0.929 178.268 177.300 0.066 0.000 1.187 349 P CA 0.959 64.093 63.100 0.057 0.000 0.766 349 P CB 0.098 31.821 31.700 0.039 0.000 0.820 350 G N 1.851 110.692 108.800 0.069 0.000 2.528 350 G HA2 -0.329 3.632 3.960 0.002 0.000 0.262 350 G HA3 -0.329 3.632 3.960 0.002 0.000 0.262 350 G C 0.595 175.505 174.900 0.015 0.000 1.200 350 G CA 0.166 45.309 45.100 0.071 0.000 0.951 350 G HN 0.560 nan 8.290 nan 0.000 0.566 351 L N 1.699 122.982 121.223 0.099 0.000 2.093 351 L HA 0.406 4.747 4.340 0.002 0.000 0.208 351 L C 2.367 179.399 176.870 0.269 0.000 1.085 351 L CA 2.869 57.789 54.840 0.133 0.000 0.755 351 L CB -0.640 41.547 42.059 0.213 0.000 0.904 351 L HN 2.681 nan 8.230 nan 0.000 0.435 352 G N -0.785 108.134 108.800 0.198 0.000 2.171 352 G HA2 -0.136 3.825 3.960 0.002 0.000 0.238 352 G HA3 -0.136 3.825 3.960 0.002 0.000 0.238 352 G C -0.045 174.926 174.900 0.118 0.000 1.039 352 G CA 0.226 45.409 45.100 0.139 0.000 0.759 352 G HN 1.001 nan 8.290 nan 0.000 0.501 353 V N -0.145 119.869 119.914 0.166 0.000 2.882 353 V HA 0.528 4.649 4.120 0.002 0.000 0.259 353 V C -1.283 174.974 176.094 0.271 0.000 1.667 353 V CA -0.899 61.481 62.300 0.134 0.000 0.886 353 V CB 1.170 33.036 31.823 0.072 0.000 1.198 353 V HN 0.581 nan 8.190 nan 0.000 0.473 354 H N 6.945 125.963 119.070 -0.087 0.000 2.670 354 H HA 0.848 5.405 4.556 0.002 0.000 0.361 354 H C -2.463 172.629 175.328 -0.393 0.000 1.169 354 H CA -1.758 54.138 56.048 -0.253 0.000 1.198 354 H CB 2.331 32.059 29.762 -0.058 0.000 1.700 354 H HN 0.566 nan 8.280 nan 0.000 0.542 355 P HA 0.185 nan 4.420 nan 0.000 0.284 355 P C -1.002 176.083 177.300 -0.358 0.000 1.287 355 P CA -0.759 62.038 63.100 -0.505 0.000 0.824 355 P CB 1.131 32.385 31.700 -0.744 0.000 1.180 356 D N -1.443 118.814 120.400 -0.239 0.000 2.274 356 D HA 0.113 4.754 4.640 0.002 0.000 0.239 356 D C 0.636 176.829 176.300 -0.177 0.000 1.104 356 D CA -0.630 53.280 54.000 -0.151 0.000 0.840 356 D CB 0.414 41.164 40.800 -0.083 0.000 1.100 356 D HN 0.315 nan 8.370 nan 0.000 0.477 357 E N 1.184 121.304 120.200 -0.132 0.000 2.515 357 E HA -0.183 4.168 4.350 0.002 0.000 0.201 357 E C 0.551 177.108 176.600 -0.070 0.000 1.071 357 E CA 0.178 56.495 56.400 -0.137 0.000 0.880 357 E CB 0.042 29.732 29.700 -0.017 0.000 0.828 357 E HN 0.536 nan 8.360 nan 0.000 0.540 358 D N 1.411 121.778 120.400 -0.056 0.000 2.123 358 D HA -0.134 4.507 4.640 0.002 0.000 0.196 358 D C 1.683 177.959 176.300 -0.041 0.000 0.992 358 D CA 1.378 55.358 54.000 -0.033 0.000 0.833 358 D CB 0.184 40.964 40.800 -0.034 0.000 0.954 358 D HN 0.258 nan 8.370 nan 0.000 0.455 359 A N -0.143 122.633 122.820 -0.074 0.000 2.238 359 A HA 0.132 4.453 4.320 0.002 0.000 0.210 359 A C 2.090 179.639 177.584 -0.059 0.000 1.179 359 A CA -0.074 51.924 52.037 -0.065 0.000 0.827 359 A CB -0.057 18.895 19.000 -0.079 0.000 0.856 359 A HN 0.207 nan 8.150 nan 0.000 0.488 360 L N -1.091 120.084 121.223 -0.080 0.000 2.529 360 L HA 0.292 4.633 4.340 0.002 0.000 0.223 360 L C 1.387 178.323 176.870 0.109 0.000 1.113 360 L CA 0.384 55.197 54.840 -0.045 0.000 0.861 360 L CB -0.866 41.031 42.059 -0.271 0.000 1.012 360 L HN 0.519 nan 8.230 nan 0.000 0.461 361 G N 0.694 109.550 108.800 0.093 0.000 2.796 361 G HA2 -0.213 3.748 3.960 0.002 0.000 0.226 361 G HA3 -0.213 3.748 3.960 0.002 0.000 0.226 361 G C -0.763 174.258 174.900 0.202 0.000 1.381 361 G CA -0.708 44.464 45.100 0.119 0.000 0.867 361 G HN 0.167 nan 8.290 nan 0.000 0.552 362 D N 1.503 121.981 120.400 0.130 0.000 2.414 362 D HA 0.405 5.046 4.640 0.002 0.000 0.242 362 D C -1.768 174.564 176.300 0.053 0.000 1.129 362 D CA -0.260 53.804 54.000 0.106 0.000 0.885 362 D CB 0.291 41.112 40.800 0.036 0.000 1.198 362 D HN 0.239 nan 8.370 nan 0.000 0.437 363 P HA -0.091 nan 4.420 nan 0.000 0.259 363 P C 1.132 178.281 177.300 -0.251 0.000 1.163 363 P CA 0.095 62.937 63.100 -0.431 0.000 0.760 363 P CB 0.476 31.936 31.700 -0.400 0.000 0.762 364 V N 1.240 121.006 119.914 -0.246 0.000 3.129 364 V HA 0.438 4.559 4.120 0.002 0.000 0.259 364 V C 0.646 176.632 176.094 -0.180 0.000 1.116 364 V CA 1.096 63.308 62.300 -0.146 0.000 1.127 364 V CB -0.969 30.810 31.823 -0.073 0.000 0.742 364 V HN 0.607 nan 8.190 nan 0.000 0.474 365 A N -1.089 121.566 122.820 -0.275 0.000 2.583 365 A HA 0.747 5.068 4.320 0.002 0.000 0.292 365 A C -1.322 175.935 177.584 -0.546 0.000 1.045 365 A CA -0.236 51.568 52.037 -0.388 0.000 0.672 365 A CB 1.625 20.400 19.000 -0.376 0.000 1.283 365 A HN 0.469 nan 8.150 nan 0.000 0.419 366 V N 0.870 120.370 119.914 -0.689 0.000 2.760 366 V HA 0.632 4.753 4.120 0.002 0.000 0.309 366 V C -1.788 173.874 176.094 -0.719 0.000 1.077 366 V CA -0.423 61.527 62.300 -0.584 0.000 0.910 366 V CB 1.897 33.535 31.823 -0.310 0.000 1.008 366 V HN 0.793 nan 8.190 nan 0.000 0.424 367 Y N 2.348 122.592 120.300 -0.093 0.000 2.363 367 Y HA 0.667 5.218 4.550 0.002 0.000 0.325 367 Y C 0.545 176.395 175.900 -0.083 0.000 0.984 367 Y CA -0.538 57.509 58.100 -0.088 0.000 1.248 367 Y CB 1.935 40.340 38.460 -0.091 0.000 1.116 367 Y HN 0.710 nan 8.280 nan 0.000 0.470 368 S N 0.699 116.421 115.700 0.036 0.000 2.855 368 S HA 0.654 5.125 4.470 0.002 0.000 0.308 368 S C -0.461 174.133 174.600 -0.011 0.000 1.077 368 S CA -1.166 57.035 58.200 0.001 0.000 0.896 368 S CB 1.987 65.173 63.200 -0.023 0.000 1.339 368 S HN 0.571 nan 8.310 nan 0.000 0.602 369 E N 0.000 120.186 120.200 -0.023 0.000 2.725 369 E HA 0.000 4.351 4.350 0.002 0.000 0.291 369 E CA 0.000 56.381 56.400 -0.031 0.000 0.976 369 E CB 0.000 29.682 29.700 -0.030 0.000 0.812 369 E HN 0.000 nan 8.360 nan 0.000 0.440