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 3fsn_1_B DATA FIRST_RESID 3 DATA SEQUENCE SQVEHPAGGY KKLFETVEEL SSPLTAHVTG RIPLWLTGSL LRCGPGLFEV DATA SEQUENCE GSEPFYHLFD GQALLHKFDF KEGHVTYHRR FIRTDAYVRA MTEKRIVITE DATA SEQUENCE FGTCAFPXXX XXXXXXXXXX XXXXEVTDNA LVNIYPVGED YYACTETNFI DATA SEQUENCE TKVNPETLET IKQVDLCNYV SVNGATAHPH IENDGTVYNI GNCFGKNFSI DATA SEQUENCE AYNIVKIPPL QADKEDPISK SEIVVQFPCS DRFKPSYVHS FGLTPNYIVF DATA SEQUENCE VETPVKINLF KFLSSWSLWG ANYMDCFESN ETMGVWLHIA DKKRKKYINN DATA SEQUENCE KYRTSPFNLF HHINTYEDHE FLIVDLCCWK GFEFVYNYLY LANLRENWEE DATA SEQUENCE VKKNARKAPQ PEVRRYVLPL NIDKADTGKN LVTLPNTTAT AILCSDETIW DATA SEQUENCE LEPEVLFSGP RQAFEFPQIN YQKYGGKPYT YAYGLGLNHF VPDRLCKLNV DATA SEQUENCE KTKETWVWQE PDSYPSEPIF VSHPDALEED DGVVLSVVVS PGAGQKPAYL DATA SEQUENCE LILNAKDLSE VARAEVEINI PVTFHGLFKK S VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.621 174.600 0.035 0.000 1.055 3 S CA 0.000 58.211 58.200 0.018 0.000 1.107 3 S CB 0.000 63.204 63.200 0.006 0.000 0.593 4 Q N 1.108 120.936 119.800 0.046 0.000 2.278 4 Q HA 0.660 5.000 4.340 0.000 0.000 0.257 4 Q C -1.296 174.734 176.000 0.051 0.000 0.928 4 Q CA -0.537 55.315 55.803 0.081 0.000 0.932 4 Q CB 1.413 30.216 28.738 0.109 0.000 1.221 4 Q HN 0.670 nan 8.270 nan 0.000 0.434 5 V N 4.880 124.817 119.914 0.038 0.000 2.432 5 V HA 0.371 4.491 4.120 0.000 0.000 0.275 5 V C -0.136 175.827 176.094 -0.218 0.000 1.043 5 V CA -0.527 61.708 62.300 -0.107 0.000 0.925 5 V CB 1.226 32.975 31.823 -0.124 0.000 0.985 5 V HN 0.819 nan 8.190 nan 0.000 0.466 6 E N 3.349 123.330 120.200 -0.365 0.000 2.221 6 E HA 0.503 4.853 4.350 0.000 0.000 0.268 6 E C -0.782 175.208 176.600 -1.015 0.000 0.933 6 E CA -0.700 55.438 56.400 -0.436 0.000 0.809 6 E CB 1.846 31.539 29.700 -0.013 0.000 1.190 6 E HN 0.630 nan 8.360 nan 0.000 0.406 7 H N 1.211 119.557 119.070 -1.207 0.000 2.535 7 H HA 0.172 4.728 4.556 0.000 0.000 0.232 7 H C -1.804 173.365 175.328 -0.266 0.000 1.405 7 H CA -1.490 54.158 56.048 -0.666 0.000 1.224 7 H CB 0.596 29.978 29.762 -0.634 0.000 1.763 7 H HN 0.258 nan 8.280 nan 0.000 0.529 8 P HA -0.098 nan 4.420 nan 0.000 0.220 8 P C 1.490 178.863 177.300 0.121 0.000 1.148 8 P CA 0.915 64.107 63.100 0.152 0.000 0.803 8 P CB 0.318 32.088 31.700 0.117 0.000 0.782 9 A N -0.028 122.837 122.820 0.074 0.000 2.067 9 A HA 0.239 4.560 4.320 0.000 0.000 0.219 9 A C 1.826 179.394 177.584 -0.025 0.000 1.158 9 A CA 1.310 53.369 52.037 0.037 0.000 0.661 9 A CB -1.534 17.489 19.000 0.037 0.000 0.801 9 A HN 0.292 nan 8.150 nan 0.000 0.452 10 G N -2.206 106.556 108.800 -0.063 0.000 2.160 10 G HA2 -0.131 3.829 3.960 0.000 0.000 0.244 10 G HA3 -0.131 3.829 3.960 0.000 0.000 0.244 10 G C 1.097 175.595 174.900 -0.672 0.000 1.022 10 G CA 0.632 45.450 45.100 -0.470 0.000 0.741 10 G HN 1.284 nan 8.290 nan 0.000 0.508 11 G N 0.084 108.686 108.800 -0.330 0.000 2.471 11 G HA2 0.045 4.006 3.960 0.000 0.000 0.219 11 G HA3 0.045 4.006 3.960 0.000 0.000 0.219 11 G C 1.385 175.980 174.900 -0.510 0.000 1.125 11 G CA 1.506 46.474 45.100 -0.219 0.000 0.775 11 G HN 1.131 nan 8.290 nan 0.000 0.548 12 Y N 0.834 120.657 120.300 -0.795 0.000 2.384 12 Y HA 0.039 4.589 4.550 0.000 0.000 0.289 12 Y C 2.329 177.962 175.900 -0.446 0.000 1.152 12 Y CA 0.891 58.394 58.100 -0.996 0.000 1.258 12 Y CB -0.447 37.467 38.460 -0.909 0.000 0.979 12 Y HN 0.116 nan 8.280 nan 0.000 0.549 13 K N 0.748 120.881 120.400 -0.445 0.000 2.211 13 K HA -0.133 4.187 4.320 0.000 0.000 0.204 13 K C 1.838 178.330 176.600 -0.180 0.000 1.047 13 K CA 1.331 57.539 56.287 -0.132 0.000 0.935 13 K CB -0.122 32.266 32.500 -0.188 0.000 0.728 13 K HN 0.253 nan 8.250 nan 0.000 0.452 14 K N 0.866 121.110 120.400 -0.259 0.000 2.362 14 K HA -0.042 4.278 4.320 0.000 0.000 0.200 14 K C 1.839 178.256 176.600 -0.305 0.000 1.046 14 K CA 0.692 56.850 56.287 -0.215 0.000 0.952 14 K CB -0.026 32.387 32.500 -0.144 0.000 0.753 14 K HN 0.229 nan 8.250 nan 0.000 0.466 15 L N -0.338 120.545 121.223 -0.566 0.000 2.275 15 L HA -0.106 4.234 4.340 0.000 0.000 0.215 15 L C 0.805 177.166 176.870 -0.849 0.000 1.119 15 L CA 0.976 55.327 54.840 -0.815 0.000 0.790 15 L CB -0.145 41.130 42.059 -1.306 0.000 0.919 15 L HN 0.027 nan 8.230 nan 0.000 0.443 16 F N -0.902 118.844 119.950 -0.340 0.000 2.855 16 F HA 0.315 4.842 4.527 0.000 0.000 0.317 16 F C 0.589 175.732 175.800 -1.095 0.000 1.169 16 F CA -0.793 56.685 58.000 -0.869 0.000 1.299 16 F CB -0.079 38.596 39.000 -0.541 0.000 0.962 16 F HN -0.064 nan 8.300 nan 0.000 0.506 17 E N 0.576 120.527 120.200 -0.415 0.000 2.187 17 E HA 0.331 4.681 4.350 0.000 0.000 0.268 17 E C -0.317 176.472 176.600 0.314 0.000 0.896 17 E CA -0.458 55.889 56.400 -0.089 0.000 0.766 17 E CB 1.365 31.047 29.700 -0.031 0.000 1.142 17 E HN 0.004 nan 8.360 nan 0.000 0.408 18 T N 2.262 117.115 114.554 0.497 0.000 2.937 18 T HA 0.203 4.554 4.350 0.000 0.000 0.316 18 T C -0.032 174.858 174.700 0.316 0.000 1.079 18 T CA 0.065 62.476 62.100 0.517 0.000 1.131 18 T CB 0.510 69.607 68.868 0.383 0.000 1.000 18 T HN 0.393 nan 8.240 nan 0.000 0.549 19 V N 0.278 120.376 119.914 0.306 0.000 3.141 19 V HA 0.688 4.808 4.120 0.000 0.000 0.312 19 V C -0.633 175.624 176.094 0.272 0.000 1.157 19 V CA -1.288 61.145 62.300 0.222 0.000 1.041 19 V CB 2.116 34.034 31.823 0.159 0.000 1.071 19 V HN 0.835 nan 8.190 nan 0.000 0.441 20 E N 1.425 121.745 120.200 0.200 0.000 2.277 20 E HA 0.364 4.714 4.350 0.000 0.000 0.274 20 E C -0.420 176.261 176.600 0.135 0.000 1.022 20 E CA -0.566 55.967 56.400 0.222 0.000 0.853 20 E CB 1.512 31.297 29.700 0.141 0.000 1.086 20 E HN 0.891 nan 8.360 nan 0.000 0.397 21 E N 2.735 123.033 120.200 0.164 0.000 2.391 21 E HA 0.198 4.549 4.350 0.000 0.000 0.255 21 E C -0.565 176.028 176.600 -0.011 0.000 1.187 21 E CA -0.384 55.989 56.400 -0.045 0.000 0.941 21 E CB 0.621 30.306 29.700 -0.025 0.000 1.010 21 E HN 0.301 nan 8.360 nan 0.000 0.458 22 L N 1.211 122.400 121.223 -0.057 0.000 2.334 22 L HA 0.158 4.498 4.340 0.000 0.000 0.275 22 L C 1.283 178.213 176.870 0.100 0.000 1.036 22 L CA -0.579 54.278 54.840 0.029 0.000 0.807 22 L CB 1.808 43.898 42.059 0.050 0.000 1.231 22 L HN 0.803 nan 8.230 nan 0.000 0.438 23 S N -0.631 115.103 115.700 0.058 0.000 2.436 23 S HA 0.043 4.513 4.470 0.000 0.000 0.228 23 S C 0.574 175.173 174.600 -0.002 0.000 1.014 23 S CA 0.316 58.543 58.200 0.046 0.000 0.950 23 S CB -0.117 63.087 63.200 0.008 0.000 0.784 23 S HN 0.734 nan 8.310 nan 0.000 0.504 24 S N -0.105 115.512 115.700 -0.139 0.000 2.588 24 S HA 0.630 5.100 4.470 0.000 0.000 0.269 24 S C -3.578 170.654 174.600 -0.614 0.000 1.157 24 S CA -1.601 56.322 58.200 -0.463 0.000 0.824 24 S CB 0.680 63.727 63.200 -0.255 0.000 1.126 24 S HN 0.007 nan 8.310 nan 0.000 0.464 25 P HA 0.294 nan 4.420 nan 0.000 0.265 25 P C -0.839 176.328 177.300 -0.221 0.000 1.193 25 P CA -0.188 62.626 63.100 -0.477 0.000 0.765 25 P CB 0.162 31.639 31.700 -0.373 0.000 0.823 26 L N 2.331 123.480 121.223 -0.124 0.000 2.371 26 L HA 0.245 4.586 4.340 0.000 0.000 0.272 26 L C 0.853 177.718 176.870 -0.008 0.000 1.124 26 L CA -0.242 54.580 54.840 -0.030 0.000 0.816 26 L CB 0.413 42.505 42.059 0.054 0.000 1.129 26 L HN 0.286 nan 8.230 nan 0.000 0.448 27 T N 2.581 117.136 114.554 0.002 0.000 2.794 27 T HA 0.406 4.756 4.350 0.000 0.000 0.296 27 T C 0.277 175.018 174.700 0.068 0.000 0.949 27 T CA -0.472 61.642 62.100 0.023 0.000 1.101 27 T CB 1.090 69.967 68.868 0.014 0.000 0.905 27 T HN 0.670 nan 8.240 nan 0.000 0.516 28 A N 2.974 125.845 122.820 0.086 0.000 2.302 28 A HA 0.374 4.694 4.320 0.000 0.000 0.285 28 A C 0.089 177.741 177.584 0.113 0.000 1.105 28 A CA -0.653 51.455 52.037 0.118 0.000 0.816 28 A CB 0.262 19.351 19.000 0.147 0.000 1.067 28 A HN 0.949 nan 8.150 nan 0.000 0.489 29 H N 2.312 121.405 119.070 0.040 0.000 2.723 29 H HA 0.374 4.930 4.556 0.000 0.000 0.294 29 H C -0.983 174.346 175.328 0.002 0.000 1.079 29 H CA -0.134 55.925 56.048 0.020 0.000 1.411 29 H CB 0.662 30.429 29.762 0.009 0.000 1.439 29 H HN 0.300 nan 8.280 nan 0.000 0.474 30 V N 6.255 125.876 119.914 -0.488 0.000 2.498 30 V HA 0.115 4.236 4.120 0.000 0.000 0.279 30 V C 0.767 176.579 176.094 -0.469 0.000 1.048 30 V CA -0.131 61.948 62.300 -0.368 0.000 0.967 30 V CB 1.316 32.993 31.823 -0.243 0.000 0.988 30 V HN 0.930 nan 8.190 nan 0.000 0.473 31 T N 1.828 116.221 114.554 -0.268 0.000 2.932 31 T HA 0.818 5.168 4.350 0.000 0.000 0.289 31 T C 0.463 175.079 174.700 -0.140 0.000 1.039 31 T CA 0.182 62.173 62.100 -0.180 0.000 1.024 31 T CB 1.710 70.514 68.868 -0.107 0.000 1.090 31 T HN 1.645 nan 8.240 nan 0.000 0.496 32 G N 1.765 110.500 108.800 -0.107 0.000 2.566 32 G HA2 -0.186 3.774 3.960 0.000 0.000 0.280 32 G HA3 -0.186 3.774 3.960 0.000 0.000 0.280 32 G C -0.683 174.149 174.900 -0.113 0.000 1.225 32 G CA -0.029 45.014 45.100 -0.095 0.000 0.966 32 G HN 1.046 nan 8.290 nan 0.000 0.560 33 R N -0.522 119.908 120.500 -0.117 0.000 2.500 33 R HA 0.428 4.768 4.340 0.000 0.000 0.299 33 R C -0.184 176.017 176.300 -0.165 0.000 1.038 33 R CA -1.030 54.991 56.100 -0.132 0.000 0.903 33 R CB 1.435 31.672 30.300 -0.105 0.000 1.177 33 R HN 0.411 nan 8.270 nan 0.000 0.455 34 I N 3.991 124.453 120.570 -0.179 0.000 2.598 34 I HA 0.087 4.257 4.170 0.000 0.000 0.284 34 I C -1.813 174.126 176.117 -0.297 0.000 1.140 34 I CA -2.273 58.904 61.300 -0.206 0.000 1.420 34 I CB -0.036 37.893 38.000 -0.117 0.000 1.387 34 I HN 0.238 nan 8.210 nan 0.000 0.553 35 P HA 0.054 nan 4.420 nan 0.000 0.262 35 P C 0.907 177.840 177.300 -0.611 0.000 1.182 35 P CA 0.022 62.711 63.100 -0.684 0.000 0.761 35 P CB 0.517 31.399 31.700 -1.364 0.000 0.795 36 L N 2.422 123.429 121.223 -0.361 0.000 2.551 36 L HA -0.020 4.320 4.340 0.000 0.000 0.228 36 L C 1.571 178.382 176.870 -0.098 0.000 1.153 36 L CA 0.540 55.276 54.840 -0.173 0.000 0.851 36 L CB -0.530 41.498 42.059 -0.052 0.000 0.959 36 L HN 0.639 nan 8.230 nan 0.000 0.451 37 W N -1.318 119.905 121.300 -0.128 0.000 3.278 37 W HA 0.258 4.919 4.660 0.000 0.000 0.308 37 W C 0.079 176.514 176.519 -0.140 0.000 1.253 37 W CA -0.545 56.706 57.345 -0.157 0.000 1.759 37 W CB -0.021 29.255 29.460 -0.307 0.000 1.093 37 W HN -0.025 nan 8.180 nan 0.000 0.648 38 L N 3.440 124.399 121.223 -0.441 0.000 2.282 38 L HA 0.410 4.750 4.340 0.000 0.000 0.287 38 L C -0.727 176.132 176.870 -0.018 0.000 1.075 38 L CA 0.682 55.281 54.840 -0.403 0.000 0.839 38 L CB 0.936 42.452 42.059 -0.905 0.000 1.219 38 L HN -0.135 nan 8.230 nan 0.000 0.434 39 T N 3.999 118.673 114.554 0.201 0.000 2.965 39 T HA 0.842 5.192 4.350 0.000 0.000 0.306 39 T C -0.011 174.831 174.700 0.238 0.000 0.991 39 T CA -0.244 61.987 62.100 0.218 0.000 1.001 39 T CB 1.254 70.207 68.868 0.141 0.000 0.984 39 T HN 0.916 nan 8.240 nan 0.000 0.446 40 G N 1.674 110.592 108.800 0.197 0.000 2.345 40 G HA2 0.456 4.417 3.960 0.000 0.000 0.285 40 G HA3 0.456 4.417 3.960 0.000 0.000 0.285 40 G C -1.662 173.182 174.900 -0.094 0.000 1.297 40 G CA -0.825 44.182 45.100 -0.155 0.000 0.875 40 G HN 0.616 nan 8.290 nan 0.000 0.506 41 S N -0.564 114.866 115.700 -0.451 0.000 2.532 41 S HA 0.609 5.079 4.470 0.000 0.000 0.299 41 S C -0.916 173.640 174.600 -0.073 0.000 1.105 41 S CA -0.484 57.648 58.200 -0.113 0.000 1.018 41 S CB 1.709 64.820 63.200 -0.150 0.000 1.021 41 S HN 1.099 nan 8.310 nan 0.000 0.483 42 L N 4.570 126.022 121.223 0.381 0.000 2.257 42 L HA 0.572 4.912 4.340 0.000 0.000 0.290 42 L C -1.426 175.608 176.870 0.274 0.000 1.044 42 L CA -0.080 55.025 54.840 0.441 0.000 0.810 42 L CB -0.003 42.424 42.059 0.613 0.000 1.193 42 L HN 0.603 nan 8.230 nan 0.000 0.425 43 L N 6.514 127.840 121.223 0.173 0.000 2.313 43 L HA 0.643 4.984 4.340 0.000 0.000 0.283 43 L C -0.099 176.866 176.870 0.159 0.000 1.013 43 L CA -0.520 54.389 54.840 0.115 0.000 0.816 43 L CB 1.333 43.401 42.059 0.014 0.000 1.236 43 L HN 0.634 nan 8.230 nan 0.000 0.419 44 R N 1.971 122.576 120.500 0.174 0.000 2.725 44 R HA 0.687 5.027 4.340 0.000 0.000 0.277 44 R C -1.488 174.934 176.300 0.203 0.000 0.987 44 R CA -0.648 55.555 56.100 0.171 0.000 0.901 44 R CB 2.403 32.770 30.300 0.112 0.000 1.207 44 R HN 0.553 nan 8.270 nan 0.000 0.463 45 C N 0.545 119.955 119.300 0.184 0.000 2.562 45 C HA 0.986 5.446 4.460 0.000 0.000 0.332 45 C C 0.460 175.520 174.990 0.117 0.000 1.201 45 C CA -0.378 58.747 59.018 0.177 0.000 1.803 45 C CB 1.535 29.381 27.740 0.176 0.000 2.328 45 C HN 1.012 nan 8.230 nan 0.000 0.500 46 G N 1.504 110.351 108.800 0.077 0.000 2.441 46 G HA2 0.609 4.569 3.960 0.000 0.000 0.294 46 G HA3 0.609 4.569 3.960 0.000 0.000 0.294 46 G C -3.479 171.406 174.900 -0.024 0.000 1.393 46 G CA -0.568 44.469 45.100 -0.106 0.000 0.796 46 G HN 0.449 nan 8.290 nan 0.000 0.494 47 P HA 0.367 nan 4.420 nan 0.000 0.278 47 P C 0.379 177.528 177.300 -0.252 0.000 1.238 47 P CA 0.286 63.304 63.100 -0.137 0.000 0.794 47 P CB 1.979 33.613 31.700 -0.110 0.000 0.955 48 G N 1.439 110.066 108.800 -0.289 0.000 2.799 48 G HA2 0.200 4.160 3.960 0.000 0.000 0.201 48 G HA3 0.200 4.160 3.960 0.000 0.000 0.201 48 G C -0.609 174.321 174.900 0.049 0.000 1.142 48 G CA 0.215 45.254 45.100 -0.102 0.000 0.910 48 G HN 0.451 nan 8.290 nan 0.000 0.710 49 L N 0.666 121.844 121.223 -0.075 0.000 2.343 49 L HA 0.718 5.058 4.340 0.000 0.000 0.278 49 L C -0.739 176.087 176.870 -0.075 0.000 0.996 49 L CA -1.035 53.817 54.840 0.020 0.000 0.831 49 L CB 1.251 43.338 42.059 0.046 0.000 1.232 49 L HN 0.024 nan 8.230 nan 0.000 0.413 50 F N 3.043 123.179 119.950 0.310 0.000 2.678 50 F HA 0.384 4.911 4.527 0.000 0.000 0.305 50 F C 0.460 176.464 175.800 0.340 0.000 1.090 50 F CA -0.327 57.886 58.000 0.355 0.000 1.272 50 F CB 0.373 39.513 39.000 0.232 0.000 1.060 50 F HN 0.495 nan 8.300 nan 0.000 0.576 51 E N -0.479 119.930 120.200 0.348 0.000 2.407 51 E HA 0.405 4.756 4.350 0.000 0.000 0.279 51 E C -1.552 175.029 176.600 -0.032 0.000 1.012 51 E CA -0.792 55.628 56.400 0.034 0.000 0.800 51 E CB 2.139 31.845 29.700 0.010 0.000 1.276 51 E HN -0.201 nan 8.360 nan 0.000 0.452 52 V N 1.965 121.764 119.914 -0.193 0.000 2.284 52 V HA 0.558 4.678 4.120 0.000 0.000 0.274 52 V C 1.085 177.108 176.094 -0.119 0.000 1.023 52 V CA 0.432 62.649 62.300 -0.138 0.000 0.808 52 V CB -0.046 31.674 31.823 -0.171 0.000 1.035 52 V HN 1.097 nan 8.190 nan 0.000 0.445 53 G N 5.190 113.945 108.800 -0.075 0.000 2.565 53 G HA2 -0.337 3.624 3.960 0.000 0.000 0.295 53 G HA3 -0.337 3.624 3.960 0.000 0.000 0.295 53 G C 1.069 175.931 174.900 -0.063 0.000 1.165 53 G CA 0.816 45.879 45.100 -0.060 0.000 0.977 53 G HN 1.457 nan 8.290 nan 0.000 0.546 54 S N 0.785 116.443 115.700 -0.070 0.000 2.605 54 S HA 0.394 4.865 4.470 0.000 0.000 0.217 54 S C 0.433 174.968 174.600 -0.109 0.000 0.958 54 S CA 0.984 59.141 58.200 -0.071 0.000 0.919 54 S CB 0.251 63.419 63.200 -0.054 0.000 0.780 54 S HN 0.661 nan 8.310 nan 0.000 0.507 55 E N 3.586 123.694 120.200 -0.154 0.000 2.113 55 E HA 0.354 4.704 4.350 0.000 0.000 0.273 55 E C -2.744 173.658 176.600 -0.329 0.000 0.924 55 E CA -2.442 53.823 56.400 -0.225 0.000 0.764 55 E CB 1.334 30.898 29.700 -0.227 0.000 1.104 55 E HN 0.341 nan 8.360 nan 0.000 0.406 56 P HA 0.181 nan 4.420 nan 0.000 0.282 56 P C -0.858 176.087 177.300 -0.591 0.000 1.249 56 P CA -0.430 62.410 63.100 -0.433 0.000 0.806 56 P CB 0.632 32.039 31.700 -0.489 0.000 0.984 57 F N 1.255 121.106 119.950 -0.165 0.000 2.384 57 F HA 0.225 4.752 4.527 0.000 0.000 0.338 57 F C 1.467 177.205 175.800 -0.103 0.000 1.103 57 F CA 0.206 58.172 58.000 -0.056 0.000 1.157 57 F CB 0.436 39.514 39.000 0.129 0.000 1.167 57 F HN 0.316 nan 8.300 nan 0.000 0.529 58 Y N -0.635 119.918 120.300 0.422 0.000 2.479 58 Y HA 0.053 4.603 4.550 0.000 0.000 0.283 58 Y C 1.107 177.215 175.900 0.347 0.000 1.109 58 Y CA 0.534 58.845 58.100 0.351 0.000 1.239 58 Y CB -0.071 38.614 38.460 0.374 0.000 1.108 58 Y HN 0.432 nan 8.280 nan 0.000 0.548 59 H N 0.059 119.330 119.070 0.336 0.000 2.573 59 H HA 0.131 4.687 4.556 0.000 0.000 0.351 59 H C 0.849 176.135 175.328 -0.071 0.000 1.163 59 H CA -0.569 55.472 56.048 -0.013 0.000 1.205 59 H CB 2.120 31.803 29.762 -0.131 0.000 1.605 59 H HN 0.183 nan 8.280 nan 0.000 0.525 60 L N 3.298 124.104 121.223 -0.695 0.000 2.089 60 L HA -0.199 4.141 4.340 0.000 0.000 0.213 60 L C 0.777 177.592 176.870 -0.092 0.000 1.079 60 L CA 1.848 56.402 54.840 -0.477 0.000 0.758 60 L CB -0.600 40.867 42.059 -0.986 0.000 0.891 60 L HN 0.460 nan 8.230 nan 0.000 0.433 61 F N -0.861 119.248 119.950 0.265 0.000 2.713 61 F HA 0.217 4.744 4.527 0.000 0.000 0.294 61 F C 1.413 177.281 175.800 0.113 0.000 1.152 61 F CA -0.442 57.597 58.000 0.066 0.000 1.385 61 F CB -0.647 38.131 39.000 -0.370 0.000 0.981 61 F HN 0.121 nan 8.300 nan 0.000 0.514 62 D N -0.479 120.065 120.400 0.241 0.000 2.431 62 D HA 0.108 4.748 4.640 0.000 0.000 0.227 62 D C 1.711 177.727 176.300 -0.473 0.000 1.030 62 D CA 0.414 54.427 54.000 0.021 0.000 0.897 62 D CB -0.228 40.690 40.800 0.196 0.000 1.058 62 D HN 0.164 nan 8.370 nan 0.000 0.500 63 G N 1.398 110.015 108.800 -0.305 0.000 2.562 63 G HA2 0.035 3.995 3.960 0.000 0.000 0.233 63 G HA3 0.035 3.995 3.960 0.000 0.000 0.233 63 G C 0.256 174.941 174.900 -0.357 0.000 1.266 63 G CA -0.233 44.572 45.100 -0.491 0.000 0.852 63 G HN -0.131 nan 8.290 nan 0.000 0.581 64 Q N 0.022 119.665 119.800 -0.262 0.000 2.314 64 Q HA 0.355 4.695 4.340 0.000 0.000 0.258 64 Q C 0.656 176.705 176.000 0.080 0.000 0.954 64 Q CA -0.189 55.606 55.803 -0.012 0.000 0.890 64 Q CB 1.210 30.056 28.738 0.181 0.000 1.210 64 Q HN 0.693 nan 8.270 nan 0.000 0.410 65 A N 3.190 126.048 122.820 0.063 0.000 2.548 65 A HA 0.189 4.510 4.320 0.000 0.000 0.247 65 A C -0.369 177.184 177.584 -0.053 0.000 1.067 65 A CA -0.144 51.908 52.037 0.024 0.000 0.757 65 A CB -0.087 18.930 19.000 0.028 0.000 0.996 65 A HN 0.528 nan 8.150 nan 0.000 0.504 66 L N 3.355 124.459 121.223 -0.199 0.000 2.362 66 L HA 0.683 5.023 4.340 0.000 0.000 0.275 66 L C -0.936 175.667 176.870 -0.444 0.000 0.998 66 L CA -0.776 53.734 54.840 -0.549 0.000 0.820 66 L CB 1.760 43.352 42.059 -0.777 0.000 1.270 66 L HN 0.636 nan 8.230 nan 0.000 0.415 67 L N 5.396 126.316 121.223 -0.504 0.000 2.287 67 L HA 0.533 4.873 4.340 0.000 0.000 0.287 67 L C -0.863 175.719 176.870 -0.481 0.000 1.022 67 L CA 0.112 54.755 54.840 -0.328 0.000 0.814 67 L CB 0.695 42.603 42.059 -0.252 0.000 1.217 67 L HN 0.602 nan 8.230 nan 0.000 0.420 68 H N 4.296 123.257 119.070 -0.182 0.000 2.529 68 H HA 0.486 5.043 4.556 0.000 0.000 0.348 68 H C -0.991 174.257 175.328 -0.133 0.000 1.152 68 H CA -0.934 55.009 56.048 -0.175 0.000 1.202 68 H CB 2.306 32.086 29.762 0.029 0.000 1.562 68 H HN 0.479 nan 8.280 nan 0.000 0.515 69 K N 2.595 122.925 120.400 -0.116 0.000 2.581 69 K HA 0.276 4.597 4.320 0.000 0.000 0.249 69 K C -1.818 174.674 176.600 -0.181 0.000 0.966 69 K CA -0.470 55.769 56.287 -0.079 0.000 0.811 69 K CB 1.156 33.575 32.500 -0.134 0.000 1.223 69 K HN 0.294 nan 8.250 nan 0.000 0.438 70 F N 2.600 122.598 119.950 0.080 0.000 2.404 70 F HA 0.286 4.813 4.527 0.000 0.000 0.354 70 F C 0.182 175.828 175.800 -0.257 0.000 1.122 70 F CA -0.480 57.461 58.000 -0.098 0.000 1.080 70 F CB 1.286 40.192 39.000 -0.158 0.000 1.131 70 F HN 0.390 nan 8.300 nan 0.000 0.471 71 D N 3.540 123.825 120.400 -0.192 0.000 2.193 71 D HA 0.367 5.007 4.640 0.000 0.000 0.244 71 D C -0.847 175.256 176.300 -0.329 0.000 1.064 71 D CA -0.057 53.854 54.000 -0.148 0.000 0.845 71 D CB 1.089 41.839 40.800 -0.083 0.000 1.148 71 D HN 0.132 nan 8.370 nan 0.000 0.464 72 F N 1.572 121.589 119.950 0.112 0.000 2.482 72 F HA 0.462 4.990 4.527 0.000 0.000 0.331 72 F C 0.633 176.467 175.800 0.057 0.000 1.115 72 F CA -0.799 57.252 58.000 0.084 0.000 0.955 72 F CB 1.765 40.820 39.000 0.091 0.000 1.136 72 F HN -0.109 nan 8.300 nan 0.000 0.452 73 K N 2.613 123.128 120.400 0.192 0.000 2.575 73 K HA 0.162 4.483 4.320 0.000 0.000 0.255 73 K C -0.673 176.011 176.600 0.140 0.000 0.953 73 K CA -0.448 55.921 56.287 0.136 0.000 0.840 73 K CB 1.329 33.885 32.500 0.092 0.000 1.303 73 K HN 0.815 nan 8.250 nan 0.000 0.438 74 E N 1.891 122.151 120.200 0.100 0.000 2.403 74 E HA -0.287 4.063 4.350 0.000 0.000 0.241 74 E C 0.460 177.089 176.600 0.049 0.000 1.201 74 E CA 0.973 57.432 56.400 0.099 0.000 0.721 74 E CB -1.349 28.439 29.700 0.146 0.000 1.245 74 E HN 1.122 nan 8.360 nan 0.000 0.392 75 G N -0.371 108.398 108.800 -0.050 0.000 2.159 75 G HA2 -0.311 3.649 3.960 0.000 0.000 0.256 75 G HA3 -0.311 3.649 3.960 0.000 0.000 0.256 75 G C 0.028 174.717 174.900 -0.350 0.000 0.977 75 G CA 0.602 45.572 45.100 -0.218 0.000 0.652 75 G HN 0.545 nan 8.290 nan 0.000 0.531 76 H N -1.149 117.919 119.070 -0.003 0.000 2.670 76 H HA 0.724 5.280 4.556 0.000 0.000 0.361 76 H C -0.624 174.687 175.328 -0.028 0.000 1.169 76 H CA -0.323 55.714 56.048 -0.019 0.000 1.198 76 H CB 2.447 32.195 29.762 -0.023 0.000 1.700 76 H HN 0.180 nan 8.280 nan 0.000 0.542 77 V N 1.265 121.218 119.914 0.064 0.000 2.808 77 V HA 0.298 4.419 4.120 0.000 0.000 0.308 77 V C -0.050 176.032 176.094 -0.020 0.000 1.099 77 V CA -0.861 61.399 62.300 -0.066 0.000 0.920 77 V CB 2.060 33.818 31.823 -0.109 0.000 1.014 77 V HN 1.007 nan 8.190 nan 0.000 0.425 78 T N 0.810 115.324 114.554 -0.066 0.000 2.908 78 T HA 0.775 5.126 4.350 0.000 0.000 0.290 78 T C -1.296 173.363 174.700 -0.069 0.000 1.034 78 T CA -0.701 61.369 62.100 -0.049 0.000 1.010 78 T CB 2.128 70.940 68.868 -0.094 0.000 1.068 78 T HN 0.680 nan 8.240 nan 0.000 0.481 79 Y N 1.568 121.716 120.300 -0.254 0.000 2.409 79 Y HA 0.699 5.249 4.550 0.000 0.000 0.343 79 Y C -1.034 174.715 175.900 -0.251 0.000 0.973 79 Y CA -1.044 56.760 58.100 -0.494 0.000 1.064 79 Y CB 1.674 39.782 38.460 -0.585 0.000 1.207 79 Y HN 1.084 nan 8.280 nan 0.000 0.452 80 H N 4.106 122.490 119.070 -1.142 0.000 3.012 80 H HA 0.711 5.267 4.556 0.000 0.000 0.367 80 H C -1.588 173.137 175.328 -1.005 0.000 1.211 80 H CA -1.092 54.425 56.048 -0.884 0.000 1.139 80 H CB 1.583 31.060 29.762 -0.475 0.000 1.838 80 H HN 0.804 nan 8.280 nan 0.000 0.550 81 R N 2.753 122.678 120.500 -0.959 0.000 2.566 81 R HA 0.711 5.052 4.340 0.000 0.000 0.271 81 R C -1.427 174.376 176.300 -0.829 0.000 1.071 81 R CA -1.186 54.376 56.100 -0.896 0.000 0.915 81 R CB 1.930 31.761 30.300 -0.783 0.000 1.228 81 R HN 0.289 nan 8.270 nan 0.000 0.449 82 R N 2.577 122.631 120.500 -0.744 0.000 2.628 82 R HA 0.376 4.716 4.340 0.000 0.000 0.288 82 R C -0.970 175.018 176.300 -0.521 0.000 0.980 82 R CA -1.047 54.736 56.100 -0.528 0.000 0.891 82 R CB 1.228 31.280 30.300 -0.414 0.000 1.188 82 R HN 0.496 nan 8.270 nan 0.000 0.450 83 F N 2.303 122.021 119.950 -0.387 0.000 2.572 83 F HA 0.148 4.676 4.527 0.000 0.000 0.370 83 F C 1.425 176.928 175.800 -0.495 0.000 1.103 83 F CA 0.252 57.938 58.000 -0.524 0.000 1.286 83 F CB 0.325 38.831 39.000 -0.824 0.000 1.105 83 F HN 0.251 nan 8.300 nan 0.000 0.583 84 I N 4.911 125.333 120.570 -0.246 0.000 2.496 84 I HA 0.113 4.283 4.170 0.000 0.000 0.285 84 I C 0.488 176.491 176.117 -0.191 0.000 1.080 84 I CA -0.537 60.657 61.300 -0.176 0.000 1.404 84 I CB 0.490 38.431 38.000 -0.099 0.000 1.403 84 I HN 0.329 nan 8.210 nan 0.000 0.539 85 R N 4.845 125.298 120.500 -0.078 0.000 4.138 85 R HA 0.132 4.472 4.340 0.000 0.000 0.206 85 R C 0.289 176.628 176.300 0.065 0.000 1.667 85 R CA -0.286 55.840 56.100 0.043 0.000 1.481 85 R CB -1.127 29.210 30.300 0.061 0.000 1.388 85 R HN 0.713 nan 8.270 nan 0.000 0.776 86 T N -2.951 111.650 114.554 0.078 0.000 2.726 86 T HA 0.082 4.432 4.350 0.000 0.000 0.294 86 T C 0.992 175.741 174.700 0.081 0.000 1.013 86 T CA -0.584 61.557 62.100 0.068 0.000 0.996 86 T CB 1.147 70.062 68.868 0.079 0.000 1.016 86 T HN 0.132 nan 8.240 nan 0.000 0.529 87 D N 0.636 121.046 120.400 0.016 0.000 2.144 87 D HA -0.045 4.595 4.640 0.000 0.000 0.199 87 D C 2.369 178.707 176.300 0.063 0.000 0.984 87 D CA 1.634 55.640 54.000 0.009 0.000 0.834 87 D CB -0.814 39.944 40.800 -0.070 0.000 0.955 87 D HN 0.728 nan 8.370 nan 0.000 0.465 88 A N 0.119 122.997 122.820 0.097 0.000 1.883 88 A HA -0.239 4.081 4.320 0.000 0.000 0.217 88 A C 2.236 179.919 177.584 0.165 0.000 1.186 88 A CA 1.410 53.535 52.037 0.148 0.000 0.624 88 A CB -1.091 18.013 19.000 0.174 0.000 0.822 88 A HN 0.334 nan 8.150 nan 0.000 0.444 89 Y N 0.313 120.638 120.300 0.042 0.000 2.163 89 Y HA -0.136 4.414 4.550 0.000 0.000 0.288 89 Y C 2.446 178.343 175.900 -0.006 0.000 1.136 89 Y CA 1.883 59.988 58.100 0.010 0.000 1.147 89 Y CB -0.282 38.175 38.460 -0.005 0.000 0.987 89 Y HN 0.062 nan 8.280 nan 0.000 0.509 90 V N 0.795 120.768 119.914 0.099 0.000 2.343 90 V HA -0.300 3.820 4.120 0.000 0.000 0.247 90 V C 2.332 178.393 176.094 -0.055 0.000 1.051 90 V CA 2.304 64.610 62.300 0.010 0.000 1.036 90 V CB -0.549 31.313 31.823 0.064 0.000 0.654 90 V HN 0.346 nan 8.190 nan 0.000 0.451 91 R N 0.026 120.518 120.500 -0.015 0.000 2.115 91 R HA -0.042 4.298 4.340 0.000 0.000 0.230 91 R C 2.373 178.652 176.300 -0.035 0.000 1.111 91 R CA 1.272 57.366 56.100 -0.011 0.000 0.976 91 R CB -0.483 29.833 30.300 0.026 0.000 0.870 91 R HN 0.536 nan 8.270 nan 0.000 0.445 92 A N 0.898 123.682 122.820 -0.060 0.000 1.930 92 A HA -0.110 4.211 4.320 0.000 0.000 0.217 92 A C 2.065 179.545 177.584 -0.172 0.000 1.175 92 A CA 1.042 53.026 52.037 -0.088 0.000 0.627 92 A CB -0.156 18.808 19.000 -0.059 0.000 0.815 92 A HN 0.069 nan 8.150 nan 0.000 0.443 93 M N -0.337 119.095 119.600 -0.281 0.000 2.099 93 M HA -0.071 4.409 4.480 0.000 0.000 0.262 93 M C 2.184 178.397 176.300 -0.145 0.000 1.067 93 M CA 1.965 57.101 55.300 -0.273 0.000 1.124 93 M CB -2.063 30.316 32.600 -0.368 0.000 1.353 93 M HN 0.407 nan 8.290 nan 0.000 0.410 94 T N 0.381 114.871 114.554 -0.106 0.000 2.708 94 T HA -0.160 4.191 4.350 0.000 0.000 0.266 94 T C 1.722 176.393 174.700 -0.048 0.000 1.037 94 T CA 1.539 63.603 62.100 -0.060 0.000 1.146 94 T CB -0.163 68.683 68.868 -0.037 0.000 0.865 94 T HN 0.442 nan 8.240 nan 0.000 0.435 95 E N 0.244 120.417 120.200 -0.045 0.000 2.447 95 E HA 0.114 4.464 4.350 0.000 0.000 0.195 95 E C 0.053 176.632 176.600 -0.035 0.000 1.028 95 E CA -0.103 56.281 56.400 -0.027 0.000 0.876 95 E CB 0.175 29.870 29.700 -0.008 0.000 0.885 95 E HN 0.359 nan 8.360 nan 0.000 0.500 96 K N 0.493 120.858 120.400 -0.058 0.000 3.125 96 K HA -0.248 4.072 4.320 0.000 0.000 0.268 96 K C -0.380 176.185 176.600 -0.059 0.000 1.078 96 K CA 0.811 57.059 56.287 -0.065 0.000 0.775 96 K CB -1.819 30.650 32.500 -0.052 0.000 1.253 96 K HN 0.269 nan 8.250 nan 0.000 0.486 97 R N -1.457 119.008 120.500 -0.058 0.000 2.728 97 R HA 0.412 4.752 4.340 0.000 0.000 0.274 97 R C -1.151 175.125 176.300 -0.039 0.000 1.032 97 R CA -1.153 54.916 56.100 -0.053 0.000 0.866 97 R CB 0.653 30.942 30.300 -0.018 0.000 1.263 97 R HN 0.030 nan 8.270 nan 0.000 0.475 98 I N 2.717 123.253 120.570 -0.058 0.000 2.587 98 I HA 0.004 4.174 4.170 0.000 0.000 0.284 98 I C 0.717 176.898 176.117 0.106 0.000 1.134 98 I CA -0.114 61.192 61.300 0.010 0.000 1.410 98 I CB 1.328 39.285 38.000 -0.072 0.000 1.392 98 I HN 0.467 nan 8.210 nan 0.000 0.545 99 V N 6.911 126.910 119.914 0.142 0.000 2.908 99 V HA 0.162 4.282 4.120 0.000 0.000 0.240 99 V C 0.703 176.913 176.094 0.194 0.000 1.117 99 V CA 0.569 62.954 62.300 0.143 0.000 1.133 99 V CB 0.311 32.194 31.823 0.100 0.000 0.857 99 V HN 0.470 nan 8.190 nan 0.000 0.478 100 I N 1.099 121.809 120.570 0.235 0.000 2.336 100 I HA 0.254 4.424 4.170 0.000 0.000 0.292 100 I C 0.304 176.637 176.117 0.360 0.000 0.991 100 I CA 0.136 61.601 61.300 0.276 0.000 1.227 100 I CB 1.226 39.376 38.000 0.250 0.000 1.366 100 I HN 0.136 nan 8.210 nan 0.000 0.466 101 T N 6.604 121.391 114.554 0.390 0.000 2.908 101 T HA 0.053 4.404 4.350 0.000 0.000 0.301 101 T C 0.426 175.457 174.700 0.552 0.000 1.019 101 T CA -0.007 62.370 62.100 0.463 0.000 1.152 101 T CB 0.484 69.625 68.868 0.455 0.000 0.966 101 T HN 0.397 nan 8.240 nan 0.000 0.540 102 E N 1.530 122.056 120.200 0.543 0.000 2.259 102 E HA 0.271 4.621 4.350 0.000 0.000 0.257 102 E C 0.958 177.901 176.600 0.571 0.000 0.998 102 E CA -0.849 55.848 56.400 0.496 0.000 0.866 102 E CB 0.637 30.567 29.700 0.383 0.000 1.220 102 E HN 0.515 nan 8.360 nan 0.000 0.415 103 F N 1.503 121.610 119.950 0.262 0.000 2.048 103 F HA -0.220 4.307 4.527 0.000 0.000 0.296 103 F C 1.523 177.497 175.800 0.290 0.000 1.109 103 F CA 2.601 60.733 58.000 0.220 0.000 1.214 103 F CB -0.146 38.884 39.000 0.049 0.000 0.963 103 F HN 0.514 nan 8.300 nan 0.000 0.491 104 G N -0.750 108.173 108.800 0.206 0.000 3.899 104 G HA2 0.347 4.307 3.960 0.000 0.000 0.293 104 G HA3 0.347 4.307 3.960 0.000 0.000 0.293 104 G C -0.755 174.399 174.900 0.423 0.000 1.054 104 G CA 0.277 45.473 45.100 0.160 0.000 0.846 104 G HN 0.254 nan 8.290 nan 0.000 0.525 105 T N 0.447 115.284 114.554 0.471 0.000 3.031 105 T HA 0.255 4.606 4.350 0.000 0.000 0.305 105 T C -0.324 174.662 174.700 0.476 0.000 0.985 105 T CA -0.442 61.994 62.100 0.559 0.000 1.008 105 T CB 1.284 70.553 68.868 0.669 0.000 1.005 105 T HN 0.074 nan 8.240 nan 0.000 0.444 106 C N 3.351 122.914 119.300 0.439 0.000 2.593 106 C HA 0.698 5.158 4.460 0.000 0.000 0.409 106 C C 1.347 176.627 174.990 0.484 0.000 1.304 106 C CA -0.542 58.742 59.018 0.443 0.000 2.007 106 C CB -0.892 27.129 27.740 0.468 0.000 2.614 106 C HN 1.002 nan 8.230 nan 0.000 0.585 107 A N 3.726 126.808 122.820 0.435 0.000 2.327 107 A HA 0.714 5.034 4.320 0.000 0.000 0.283 107 A C -0.542 177.338 177.584 0.495 0.000 1.127 107 A CA -0.240 52.038 52.037 0.401 0.000 0.810 107 A CB 0.305 19.490 19.000 0.309 0.000 1.066 107 A HN 0.801 nan 8.150 nan 0.000 0.492 108 F N 1.586 121.619 119.950 0.139 0.000 2.399 108 F HA 0.427 4.954 4.527 0.000 0.000 0.328 108 F C -1.235 174.610 175.800 0.074 0.000 1.084 108 F CA -1.816 56.256 58.000 0.121 0.000 1.053 108 F CB 0.987 40.065 39.000 0.130 0.000 1.209 108 F HN 0.471 nan 8.300 nan 0.000 0.502 128 V N 1.789 121.889 119.914 0.310 0.000 2.614 128 V HA 0.177 4.298 4.120 0.000 0.000 0.291 128 V C 0.940 177.326 176.094 0.486 0.000 1.049 128 V CA 0.053 62.599 62.300 0.410 0.000 1.038 128 V CB 1.462 33.478 31.823 0.323 0.000 0.980 128 V HN 0.535 nan 8.190 nan 0.000 0.481 129 T N 2.815 117.647 114.554 0.464 0.000 2.916 129 T HA 0.062 4.412 4.350 0.000 0.000 0.303 129 T C 0.534 175.439 174.700 0.341 0.000 1.025 129 T CA -0.097 62.211 62.100 0.345 0.000 1.142 129 T CB 0.180 69.219 68.868 0.286 0.000 0.947 129 T HN 0.964 nan 8.240 nan 0.000 0.544 130 D N 2.816 123.352 120.400 0.227 0.000 2.538 130 D HA 0.037 4.677 4.640 0.000 0.000 0.231 130 D C 0.293 176.678 176.300 0.141 0.000 1.229 130 D CA -0.461 53.657 54.000 0.196 0.000 0.828 130 D CB -0.484 40.316 40.800 -0.000 0.000 1.035 130 D HN 0.384 nan 8.370 nan 0.000 0.495 131 N N 1.496 120.281 118.700 0.141 0.000 2.394 131 N HA 0.077 4.817 4.740 0.000 0.000 0.288 131 N C -0.078 175.499 175.510 0.112 0.000 1.272 131 N CA -0.021 53.097 53.050 0.114 0.000 1.004 131 N CB 0.265 38.812 38.487 0.100 0.000 1.393 131 N HN 0.224 nan 8.380 nan 0.000 0.488 132 A N 4.571 127.454 122.820 0.104 0.000 3.074 132 A HA 0.119 4.439 4.320 0.000 0.000 0.251 132 A C 1.494 179.150 177.584 0.119 0.000 1.695 132 A CA -0.461 51.643 52.037 0.111 0.000 1.343 132 A CB -1.006 18.052 19.000 0.097 0.000 1.078 132 A HN 0.826 nan 8.150 nan 0.000 0.644 133 L N -2.610 118.703 121.223 0.150 0.000 2.591 133 L HA 0.183 4.523 4.340 0.000 0.000 0.228 133 L C 0.758 177.834 176.870 0.343 0.000 1.133 133 L CA 0.356 55.322 54.840 0.210 0.000 0.880 133 L CB -0.147 42.058 42.059 0.244 0.000 1.033 133 L HN 0.144 nan 8.230 nan 0.000 0.450 134 V N -0.324 119.764 119.914 0.291 0.000 2.627 134 V HA 0.244 4.364 4.120 0.000 0.000 0.239 134 V C 0.503 176.818 176.094 0.368 0.000 1.077 134 V CA 0.665 63.181 62.300 0.360 0.000 1.103 134 V CB -0.212 31.706 31.823 0.158 0.000 0.802 134 V HN 0.567 nan 8.190 nan 0.000 0.482 135 N N -1.584 117.267 118.700 0.251 0.000 3.020 135 N HA 0.517 5.257 4.740 0.000 0.000 0.248 135 N C -1.827 173.817 175.510 0.224 0.000 1.480 135 N CA -0.458 52.741 53.050 0.248 0.000 0.874 135 N CB 2.538 41.105 38.487 0.133 0.000 1.433 135 N HN 0.185 nan 8.380 nan 0.000 0.530 136 I N 1.556 122.273 120.570 0.246 0.000 2.619 136 I HA 0.620 4.790 4.170 0.000 0.000 0.292 136 I C -1.670 174.636 176.117 0.314 0.000 1.100 136 I CA -0.649 60.775 61.300 0.206 0.000 1.043 136 I CB 1.239 39.337 38.000 0.163 0.000 1.239 136 I HN 0.644 nan 8.210 nan 0.000 0.420 137 Y N 5.279 125.687 120.300 0.181 0.000 2.609 137 Y HA 0.778 5.328 4.550 0.000 0.000 0.336 137 Y C -3.115 172.801 175.900 0.027 0.000 1.129 137 Y CA -2.681 55.492 58.100 0.122 0.000 1.040 137 Y CB 0.950 39.448 38.460 0.062 0.000 1.310 137 Y HN 0.259 nan 8.280 nan 0.000 0.460 138 P HA 0.304 nan 4.420 nan 0.000 0.285 138 P C -1.059 176.243 177.300 0.003 0.000 1.259 138 P CA -0.278 62.601 63.100 -0.368 0.000 0.794 138 P CB 2.223 33.642 31.700 -0.469 0.000 0.940 139 V N 3.205 123.115 119.914 -0.006 0.000 2.483 139 V HA 0.530 4.650 4.120 0.000 0.000 0.297 139 V C 1.186 177.289 176.094 0.016 0.000 1.027 139 V CA 0.392 62.741 62.300 0.083 0.000 0.855 139 V CB 0.618 32.547 31.823 0.178 0.000 0.995 139 V HN 1.027 nan 8.190 nan 0.000 0.424 140 G N 4.830 113.630 108.800 -0.001 0.000 2.672 140 G HA2 -0.307 3.653 3.960 0.000 0.000 0.324 140 G HA3 -0.307 3.653 3.960 0.000 0.000 0.324 140 G C 0.553 175.427 174.900 -0.043 0.000 1.286 140 G CA 0.905 45.998 45.100 -0.011 0.000 1.004 140 G HN 0.738 nan 8.290 nan 0.000 0.548 141 E N 1.674 121.860 120.200 -0.024 0.000 2.437 141 E HA 0.177 4.527 4.350 0.000 0.000 0.189 141 E C -0.281 176.307 176.600 -0.021 0.000 1.054 141 E CA 0.090 56.483 56.400 -0.012 0.000 0.874 141 E CB 0.131 29.840 29.700 0.016 0.000 1.011 141 E HN 0.421 nan 8.360 nan 0.000 0.474 142 D N -0.517 119.821 120.400 -0.102 0.000 2.414 142 D HA 0.289 4.929 4.640 0.000 0.000 0.241 142 D C -0.680 175.423 176.300 -0.328 0.000 1.008 142 D CA -0.408 53.507 54.000 -0.142 0.000 1.001 142 D CB 1.199 41.872 40.800 -0.212 0.000 1.277 142 D HN -0.072 nan 8.370 nan 0.000 0.538 143 Y N -0.181 119.931 120.300 -0.313 0.000 2.425 143 Y HA 0.388 4.938 4.550 0.000 0.000 0.344 143 Y C -0.799 174.793 175.900 -0.514 0.000 0.969 143 Y CA -0.871 57.067 58.100 -0.270 0.000 1.052 143 Y CB 1.718 40.084 38.460 -0.156 0.000 1.215 143 Y HN 0.191 nan 8.280 nan 0.000 0.451 144 Y N 1.387 121.565 120.300 -0.203 0.000 2.338 144 Y HA 0.663 5.213 4.550 0.000 0.000 0.333 144 Y C 0.087 175.819 175.900 -0.281 0.000 0.968 144 Y CA -1.178 56.746 58.100 -0.293 0.000 1.123 144 Y CB 1.672 39.827 38.460 -0.509 0.000 1.165 144 Y HN 0.699 nan 8.280 nan 0.000 0.452 145 A N 2.501 125.331 122.820 0.017 0.000 2.371 145 A HA 0.685 5.005 4.320 0.000 0.000 0.257 145 A C -0.132 177.504 177.584 0.086 0.000 1.089 145 A CA -0.252 51.816 52.037 0.050 0.000 0.794 145 A CB -0.177 18.850 19.000 0.046 0.000 1.029 145 A HN 0.986 nan 8.150 nan 0.000 0.488 146 C N -0.117 119.259 119.300 0.128 0.000 3.171 146 C HA 0.920 5.380 4.460 0.000 0.000 0.308 146 C C 0.463 175.537 174.990 0.138 0.000 1.334 146 C CA 0.133 59.244 59.018 0.155 0.000 1.473 146 C CB 0.876 28.760 27.740 0.239 0.000 1.866 146 C HN 1.079 nan 8.230 nan 0.000 0.465 147 T N -0.727 113.903 114.554 0.127 0.000 2.624 147 T HA 0.451 4.801 4.350 0.000 0.000 0.223 147 T C 0.313 175.054 174.700 0.068 0.000 0.992 147 T CA 0.115 62.268 62.100 0.088 0.000 1.111 147 T CB 0.638 69.559 68.868 0.087 0.000 2.611 147 T HN 0.850 nan 8.240 nan 0.000 0.489 148 E N 0.978 121.218 120.200 0.067 0.000 2.734 148 E HA 0.224 4.574 4.350 0.000 0.000 0.211 148 E C 0.159 176.818 176.600 0.097 0.000 0.991 148 E CA -0.266 56.180 56.400 0.077 0.000 1.065 148 E CB 0.890 30.661 29.700 0.119 0.000 1.047 148 E HN 0.675 nan 8.360 nan 0.000 0.470 149 T N -1.220 113.394 114.554 0.100 0.000 2.898 149 T HA 0.092 4.442 4.350 0.000 0.000 0.283 149 T C 1.175 175.893 174.700 0.031 0.000 1.059 149 T CA -0.564 61.591 62.100 0.092 0.000 0.958 149 T CB 0.572 69.528 68.868 0.147 0.000 1.594 149 T HN -0.028 nan 8.240 nan 0.000 0.598 150 N N -0.625 118.021 118.700 -0.091 0.000 2.463 150 N HA 0.049 4.789 4.740 0.000 0.000 0.181 150 N C -0.588 174.818 175.510 -0.174 0.000 1.078 150 N CA 0.070 53.002 53.050 -0.198 0.000 0.902 150 N CB -0.354 37.912 38.487 -0.369 0.000 0.970 150 N HN 0.437 nan 8.380 nan 0.000 0.451 151 F N 2.266 122.266 119.950 0.084 0.000 2.404 151 F HA 0.497 5.024 4.527 0.000 0.000 0.354 151 F C 0.664 176.513 175.800 0.082 0.000 1.122 151 F CA -1.527 56.524 58.000 0.086 0.000 1.080 151 F CB 0.936 39.993 39.000 0.095 0.000 1.131 151 F HN -0.091 nan 8.300 nan 0.000 0.471 152 I N -0.682 120.047 120.570 0.264 0.000 2.846 152 I HA 0.750 4.920 4.170 0.000 0.000 0.307 152 I C -0.712 175.548 176.117 0.238 0.000 1.053 152 I CA -0.670 60.741 61.300 0.185 0.000 1.050 152 I CB 2.392 40.421 38.000 0.049 0.000 1.239 152 I HN 0.263 nan 8.210 nan 0.000 0.439 153 T N 3.154 117.848 114.554 0.233 0.000 2.833 153 T HA 0.268 4.618 4.350 0.000 0.000 0.297 153 T C -0.323 174.462 174.700 0.142 0.000 1.015 153 T CA -0.558 61.651 62.100 0.181 0.000 0.963 153 T CB 0.915 69.838 68.868 0.092 0.000 0.955 153 T HN 0.558 nan 8.240 nan 0.000 0.449 154 K N 3.472 123.919 120.400 0.079 0.000 2.416 154 K HA 0.373 4.694 4.320 0.000 0.000 0.283 154 K C -0.090 176.406 176.600 -0.173 0.000 1.037 154 K CA -0.286 55.821 56.287 -0.300 0.000 0.995 154 K CB 0.219 32.537 32.500 -0.303 0.000 0.938 154 K HN 0.504 nan 8.250 nan 0.000 0.475 155 V N 1.179 120.975 119.914 -0.197 0.000 2.914 155 V HA 0.395 4.515 4.120 0.000 0.000 0.314 155 V C -0.589 175.433 176.094 -0.120 0.000 1.084 155 V CA -1.284 60.942 62.300 -0.124 0.000 0.963 155 V CB 1.783 33.545 31.823 -0.101 0.000 1.025 155 V HN 0.757 nan 8.190 nan 0.000 0.432 156 N N 4.465 123.101 118.700 -0.107 0.000 2.408 156 N HA 0.368 5.108 4.740 0.000 0.000 0.257 156 N C -1.653 173.774 175.510 -0.139 0.000 1.064 156 N CA -1.861 51.128 53.050 -0.102 0.000 0.952 156 N CB 1.903 40.341 38.487 -0.081 0.000 1.093 156 N HN 0.625 nan 8.380 nan 0.000 0.490 157 P HA 0.016 nan 4.420 nan 0.000 0.236 157 P C 0.233 177.406 177.300 -0.211 0.000 1.177 157 P CA 0.904 63.834 63.100 -0.283 0.000 0.773 157 P CB 0.666 32.026 31.700 -0.566 0.000 0.878 158 E N 0.031 120.142 120.200 -0.149 0.000 2.057 158 E HA -0.039 4.311 4.350 0.000 0.000 0.190 158 E C 1.886 178.441 176.600 -0.075 0.000 0.969 158 E CA 1.700 58.035 56.400 -0.107 0.000 0.812 158 E CB -0.485 29.165 29.700 -0.084 0.000 0.777 158 E HN 0.295 nan 8.360 nan 0.000 0.455 159 T N -1.245 113.268 114.554 -0.068 0.000 3.057 159 T HA 0.155 4.505 4.350 0.000 0.000 0.254 159 T C 1.247 175.914 174.700 -0.055 0.000 1.094 159 T CA -0.088 61.992 62.100 -0.033 0.000 1.088 159 T CB -0.014 68.832 68.868 -0.037 0.000 0.934 159 T HN 0.177 nan 8.240 nan 0.000 0.497 160 L N -0.440 120.714 121.223 -0.116 0.000 4.560 160 L HA -0.136 4.204 4.340 0.000 0.000 0.415 160 L C -0.372 176.407 176.870 -0.151 0.000 1.123 160 L CA 0.256 54.990 54.840 -0.177 0.000 0.991 160 L CB -1.904 39.973 42.059 -0.302 0.000 2.127 160 L HN 0.389 nan 8.230 nan 0.000 0.765 161 E N 0.674 120.813 120.200 -0.102 0.000 2.390 161 E HA 0.263 4.613 4.350 0.000 0.000 0.261 161 E C 0.566 177.118 176.600 -0.079 0.000 1.076 161 E CA 0.085 56.437 56.400 -0.079 0.000 0.905 161 E CB 0.629 30.297 29.700 -0.052 0.000 0.984 161 E HN -0.007 nan 8.360 nan 0.000 0.427 162 T N 2.696 117.212 114.554 -0.063 0.000 2.780 162 T HA 0.286 4.636 4.350 0.000 0.000 0.294 162 T C 1.453 176.131 174.700 -0.036 0.000 0.949 162 T CA -0.253 61.817 62.100 -0.051 0.000 1.074 162 T CB 0.404 69.251 68.868 -0.034 0.000 0.910 162 T HN 0.316 nan 8.240 nan 0.000 0.501 163 I N 1.493 122.039 120.570 -0.041 0.000 2.899 163 I HA 0.316 4.486 4.170 0.000 0.000 0.257 163 I C 0.984 177.099 176.117 -0.004 0.000 1.115 163 I CA 0.314 61.596 61.300 -0.031 0.000 1.451 163 I CB 0.310 38.276 38.000 -0.056 0.000 1.251 163 I HN 0.376 nan 8.210 nan 0.000 0.456 164 K N 1.075 121.481 120.400 0.009 0.000 2.578 164 K HA 0.223 4.544 4.320 0.000 0.000 0.269 164 K C -1.444 175.207 176.600 0.085 0.000 0.941 164 K CA -0.553 55.763 56.287 0.050 0.000 0.847 164 K CB 2.225 34.766 32.500 0.068 0.000 1.397 164 K HN -0.085 nan 8.250 nan 0.000 0.422 165 Q N 2.912 122.763 119.800 0.085 0.000 2.267 165 Q HA 0.363 4.703 4.340 0.000 0.000 0.255 165 Q C -1.297 174.817 176.000 0.190 0.000 0.923 165 Q CA -0.570 55.300 55.803 0.111 0.000 0.925 165 Q CB 1.429 30.178 28.738 0.018 0.000 1.195 165 Q HN 0.347 nan 8.270 nan 0.000 0.417 166 V N 4.100 124.168 119.914 0.257 0.000 2.448 166 V HA 0.155 4.275 4.120 0.000 0.000 0.295 166 V C -0.597 175.702 176.094 0.341 0.000 1.025 166 V CA -0.782 61.685 62.300 0.279 0.000 0.859 166 V CB 1.733 33.676 31.823 0.200 0.000 0.988 166 V HN 0.751 nan 8.190 nan 0.000 0.431 167 D N 4.100 124.712 120.400 0.352 0.000 2.396 167 D HA 0.302 4.943 4.640 0.000 0.000 0.225 167 D C 0.996 177.399 176.300 0.171 0.000 1.121 167 D CA -0.182 53.963 54.000 0.243 0.000 0.853 167 D CB 1.383 42.321 40.800 0.229 0.000 1.043 167 D HN 0.432 nan 8.370 nan 0.000 0.500 168 L N 2.393 123.674 121.223 0.095 0.000 2.261 168 L HA -0.183 4.157 4.340 0.000 0.000 0.216 168 L C 2.238 179.167 176.870 0.099 0.000 1.114 168 L CA 0.566 55.486 54.840 0.134 0.000 0.777 168 L CB -0.196 41.884 42.059 0.036 0.000 0.910 168 L HN 0.520 nan 8.230 nan 0.000 0.440 169 C N -0.181 119.108 119.300 -0.019 0.000 2.437 169 C HA -0.076 4.384 4.460 0.000 0.000 0.283 169 C C 2.396 177.339 174.990 -0.077 0.000 1.424 169 C CA 0.299 59.286 59.018 -0.052 0.000 1.782 169 C CB -1.275 26.401 27.740 -0.106 0.000 1.833 169 C HN 0.580 nan 8.230 nan 0.000 0.532 170 N N 0.145 118.763 118.700 -0.136 0.000 2.381 170 N HA -0.074 4.666 4.740 0.000 0.000 0.182 170 N C 1.052 176.256 175.510 -0.510 0.000 1.025 170 N CA 1.364 54.191 53.050 -0.373 0.000 0.888 170 N CB -0.228 37.911 38.487 -0.580 0.000 0.965 170 N HN 0.642 nan 8.380 nan 0.000 0.438 171 Y N -1.096 119.196 120.300 -0.014 0.000 2.581 171 Y HA 0.281 4.831 4.550 0.000 0.000 0.271 171 Y C 0.672 176.559 175.900 -0.021 0.000 1.100 171 Y CA -0.371 57.719 58.100 -0.016 0.000 1.281 171 Y CB 0.671 39.118 38.460 -0.021 0.000 1.237 171 Y HN -0.205 nan 8.280 nan 0.000 0.514 172 V N -2.585 117.400 119.914 0.118 0.000 3.147 172 V HA 0.502 4.622 4.120 0.000 0.000 0.306 172 V C -0.186 175.928 176.094 0.033 0.000 1.209 172 V CA -1.147 61.187 62.300 0.057 0.000 1.023 172 V CB 1.636 33.483 31.823 0.041 0.000 1.059 172 V HN 0.035 nan 8.190 nan 0.000 0.435 173 S N 1.726 117.442 115.700 0.027 0.000 3.729 173 S HA 0.623 5.093 4.470 0.000 0.000 0.235 173 S C -0.119 174.504 174.600 0.038 0.000 1.367 173 S CA 0.044 58.273 58.200 0.050 0.000 0.907 173 S CB -0.408 62.836 63.200 0.074 0.000 1.471 173 S HN 1.960 nan 8.310 nan 0.000 0.476 174 V N 0.549 120.476 119.914 0.021 0.000 3.001 174 V HA 0.618 4.738 4.120 0.000 0.000 0.314 174 V C 0.316 176.410 176.094 -0.000 0.000 1.099 174 V CA -1.145 61.161 62.300 0.009 0.000 0.989 174 V CB 1.623 33.440 31.823 -0.011 0.000 1.040 174 V HN 0.429 nan 8.190 nan 0.000 0.434 175 N N 1.250 119.949 118.700 -0.001 0.000 2.395 175 N HA 0.311 5.051 4.740 0.000 0.000 0.175 175 N C 0.551 176.050 175.510 -0.018 0.000 1.029 175 N CA 1.337 54.375 53.050 -0.020 0.000 0.897 175 N CB 0.754 39.236 38.487 -0.009 0.000 0.991 175 N HN 1.073 nan 8.380 nan 0.000 0.441 176 G N -1.225 107.577 108.800 0.004 0.000 2.663 176 G HA2 0.724 4.684 3.960 0.000 0.000 0.299 176 G HA3 0.724 4.684 3.960 0.000 0.000 0.299 176 G C -1.953 172.955 174.900 0.014 0.000 1.372 176 G CA -0.033 45.079 45.100 0.019 0.000 0.781 176 G HN 0.220 nan 8.290 nan 0.000 0.491 177 A N -0.421 122.413 122.820 0.023 0.000 2.574 177 A HA 0.838 5.158 4.320 0.000 0.000 0.297 177 A C 0.141 177.729 177.584 0.007 0.000 1.062 177 A CA 0.260 52.300 52.037 0.005 0.000 0.686 177 A CB 0.966 19.969 19.000 0.006 0.000 1.285 177 A HN 2.105 nan 8.150 nan 0.000 0.403 178 T N -0.572 113.972 114.554 -0.017 0.000 2.795 178 T HA 0.444 4.794 4.350 0.000 0.000 0.314 178 T C 1.097 175.746 174.700 -0.086 0.000 1.069 178 T CA 0.362 62.432 62.100 -0.049 0.000 1.071 178 T CB 0.937 69.793 68.868 -0.019 0.000 0.988 178 T HN 1.831 nan 8.240 nan 0.000 0.543 179 A N 0.692 123.391 122.820 -0.201 0.000 2.276 179 A HA 0.134 4.455 4.320 0.000 0.000 0.212 179 A C 0.828 178.086 177.584 -0.544 0.000 1.230 179 A CA 0.007 51.877 52.037 -0.278 0.000 0.844 179 A CB -0.593 18.229 19.000 -0.296 0.000 0.860 179 A HN 0.900 nan 8.150 nan 0.000 0.486 180 H N 0.409 119.355 119.070 -0.206 0.000 2.386 180 H HA 0.226 4.782 4.556 0.000 0.000 0.232 180 H C -2.820 172.353 175.328 -0.258 0.000 1.416 180 H CA -1.938 53.951 56.048 -0.265 0.000 1.285 180 H CB 0.171 29.784 29.762 -0.249 0.000 1.625 180 H HN 0.346 nan 8.280 nan 0.000 0.521 181 P HA 0.013 nan 4.420 nan 0.000 0.272 181 P C 0.216 177.373 177.300 -0.238 0.000 1.223 181 P CA 0.112 63.113 63.100 -0.164 0.000 0.784 181 P CB 1.382 32.782 31.700 -0.500 0.000 0.923 182 H N 1.428 120.515 119.070 0.028 0.000 2.473 182 H HA 0.413 4.969 4.556 0.000 0.000 0.327 182 H C 0.065 175.507 175.328 0.189 0.000 1.105 182 H CA -0.213 55.877 56.048 0.070 0.000 1.280 182 H CB 1.007 30.762 29.762 -0.012 0.000 1.450 182 H HN 0.283 nan 8.280 nan 0.000 0.492 183 I N 3.112 123.903 120.570 0.368 0.000 2.418 183 I HA 0.166 4.336 4.170 0.000 0.000 0.287 183 I C 0.418 176.745 176.117 0.350 0.000 1.008 183 I CA -0.552 60.932 61.300 0.306 0.000 1.104 183 I CB 1.839 39.970 38.000 0.219 0.000 1.264 183 I HN 0.431 nan 8.210 nan 0.000 0.438 184 E N 4.147 124.505 120.200 0.263 0.000 2.342 184 E HA 0.156 4.506 4.350 0.000 0.000 0.257 184 E C 0.418 177.103 176.600 0.142 0.000 1.150 184 E CA -0.580 55.928 56.400 0.180 0.000 0.926 184 E CB 0.918 30.725 29.700 0.178 0.000 1.074 184 E HN 0.454 nan 8.360 nan 0.000 0.449 185 N N 1.506 120.259 118.700 0.088 0.000 2.272 185 N HA -0.159 4.581 4.740 0.000 0.000 0.185 185 N C 0.936 176.492 175.510 0.077 0.000 1.014 185 N CA 1.189 54.286 53.050 0.079 0.000 0.870 185 N CB -0.218 38.293 38.487 0.041 0.000 0.975 185 N HN 0.491 nan 8.380 nan 0.000 0.433 186 D N -1.349 119.093 120.400 0.070 0.000 2.349 186 D HA 0.106 4.746 4.640 0.000 0.000 0.224 186 D C 1.226 177.562 176.300 0.059 0.000 1.029 186 D CA 0.708 54.742 54.000 0.057 0.000 0.879 186 D CB -0.234 40.594 40.800 0.046 0.000 0.906 186 D HN 0.243 nan 8.370 nan 0.000 0.528 187 G N -0.685 108.161 108.800 0.077 0.000 2.195 187 G HA2 -0.240 3.721 3.960 0.000 0.000 0.224 187 G HA3 -0.240 3.721 3.960 0.000 0.000 0.224 187 G C 0.405 175.344 174.900 0.065 0.000 0.990 187 G CA 0.073 45.214 45.100 0.069 0.000 0.639 187 G HN 0.424 nan 8.290 nan 0.000 0.514 188 T N 1.462 116.057 114.554 0.069 0.000 2.902 188 T HA 0.431 4.781 4.350 0.000 0.000 0.301 188 T C 0.478 175.216 174.700 0.065 0.000 1.012 188 T CA 0.443 62.559 62.100 0.027 0.000 1.151 188 T CB 2.038 70.928 68.868 0.037 0.000 0.946 188 T HN 0.616 nan 8.240 nan 0.000 0.542 189 V N 4.338 124.239 119.914 -0.021 0.000 2.435 189 V HA 0.413 4.534 4.120 0.000 0.000 0.290 189 V C -0.827 175.240 176.094 -0.046 0.000 1.030 189 V CA -0.919 61.403 62.300 0.036 0.000 0.881 189 V CB 0.738 32.580 31.823 0.032 0.000 0.983 189 V HN 0.770 nan 8.190 nan 0.000 0.445 190 Y N 3.334 123.729 120.300 0.158 0.000 2.393 190 Y HA 0.601 5.151 4.550 0.000 0.000 0.341 190 Y C 0.406 176.489 175.900 0.305 0.000 0.988 190 Y CA -0.266 57.972 58.100 0.229 0.000 1.078 190 Y CB 1.966 40.640 38.460 0.356 0.000 1.203 190 Y HN 0.631 nan 8.280 nan 0.000 0.453 191 N N 1.986 120.830 118.700 0.240 0.000 2.697 191 N HA 0.535 5.275 4.740 0.000 0.000 0.272 191 N C -1.911 173.441 175.510 -0.263 0.000 1.381 191 N CA -0.599 52.501 53.050 0.083 0.000 0.797 191 N CB 2.309 40.805 38.487 0.015 0.000 1.523 191 N HN 0.728 nan 8.380 nan 0.000 0.518 192 I N -0.173 120.179 120.570 -0.364 0.000 2.647 192 I HA 0.766 4.936 4.170 0.000 0.000 0.295 192 I C -0.429 175.579 176.117 -0.182 0.000 1.078 192 I CA -0.505 60.562 61.300 -0.390 0.000 1.048 192 I CB 1.860 39.455 38.000 -0.675 0.000 1.239 192 I HN 0.589 nan 8.210 nan 0.000 0.421 193 G N 3.971 112.698 108.800 -0.121 0.000 2.704 193 G HA2 0.300 4.261 3.960 0.000 0.000 0.293 193 G HA3 0.300 4.261 3.960 0.000 0.000 0.293 193 G C -1.728 173.170 174.900 -0.004 0.000 1.421 193 G CA -0.935 44.140 45.100 -0.043 0.000 0.870 193 G HN 0.796 nan 8.290 nan 0.000 0.492 194 N N -1.717 117.002 118.700 0.031 0.000 2.467 194 N HA 0.596 5.336 4.740 0.000 0.000 0.262 194 N C 0.369 175.849 175.510 -0.049 0.000 1.234 194 N CA 0.163 53.188 53.050 -0.042 0.000 0.952 194 N CB 1.326 39.768 38.487 -0.075 0.000 1.158 194 N HN 0.975 nan 8.380 nan 0.000 0.463 195 C N -1.900 117.346 119.300 -0.089 0.000 3.316 195 C HA 0.667 5.127 4.460 0.000 0.000 0.360 195 C C -0.152 174.864 174.990 0.044 0.000 1.560 195 C CA -1.341 57.686 59.018 0.014 0.000 1.229 195 C CB -0.089 27.645 27.740 -0.010 0.000 1.823 195 C HN 0.917 nan 8.230 nan 0.000 0.440 196 F N 0.374 120.258 119.950 -0.110 0.000 2.923 196 F HA 0.638 5.165 4.527 0.000 0.000 0.314 196 F C 1.093 176.842 175.800 -0.085 0.000 1.196 196 F CA 0.037 57.982 58.000 -0.091 0.000 1.320 196 F CB -0.344 38.624 39.000 -0.054 0.000 0.953 196 F HN 0.816 nan 8.300 nan 0.000 0.505 197 G N 1.467 110.004 108.800 -0.437 0.000 2.666 197 G HA2 -0.226 3.734 3.960 0.000 0.000 0.215 197 G HA3 -0.226 3.734 3.960 0.000 0.000 0.215 197 G C 0.492 175.121 174.900 -0.451 0.000 1.294 197 G CA 0.409 45.195 45.100 -0.524 0.000 0.811 197 G HN 0.344 nan 8.290 nan 0.000 0.594 198 K N 0.769 120.998 120.400 -0.286 0.000 2.455 198 K HA -0.002 4.319 4.320 0.000 0.000 0.269 198 K C 0.337 176.806 176.600 -0.219 0.000 0.972 198 K CA -0.102 56.053 56.287 -0.220 0.000 0.938 198 K CB 0.054 32.459 32.500 -0.159 0.000 0.931 198 K HN 0.249 nan 8.250 nan 0.000 0.507 199 N N 2.399 120.967 118.700 -0.220 0.000 2.292 199 N HA -0.106 4.634 4.740 0.000 0.000 0.258 199 N C -0.749 174.666 175.510 -0.159 0.000 1.261 199 N CA 0.679 53.546 53.050 -0.305 0.000 0.845 199 N CB -0.179 38.092 38.487 -0.360 0.000 1.064 199 N HN 0.527 nan 8.380 nan 0.000 0.471 200 F N -0.040 119.908 119.950 -0.005 0.000 3.105 200 F HA -0.281 4.246 4.527 0.000 0.000 0.280 200 F C 0.373 176.145 175.800 -0.047 0.000 0.894 200 F CA 0.591 58.615 58.000 0.039 0.000 0.992 200 F CB -2.082 36.951 39.000 0.055 0.000 1.047 200 F HN 0.244 nan 8.300 nan 0.000 0.607 201 S N -0.304 115.426 115.700 0.050 0.000 2.571 201 S HA 0.684 5.154 4.470 0.000 0.000 0.284 201 S C -0.180 174.354 174.600 -0.111 0.000 1.128 201 S CA -0.736 57.411 58.200 -0.090 0.000 0.970 201 S CB 1.675 64.803 63.200 -0.119 0.000 1.039 201 S HN 0.058 nan 8.310 nan 0.000 0.485 202 I N 3.199 123.679 120.570 -0.150 0.000 2.696 202 I HA 0.558 4.728 4.170 0.000 0.000 0.284 202 I C 0.605 176.542 176.117 -0.299 0.000 1.129 202 I CA 0.700 61.881 61.300 -0.199 0.000 1.410 202 I CB 0.810 38.672 38.000 -0.229 0.000 1.399 202 I HN 0.782 nan 8.210 nan 0.000 0.579 203 A N 4.904 127.505 122.820 -0.366 0.000 2.533 203 A HA 0.828 5.149 4.320 0.000 0.000 0.293 203 A C -1.893 175.376 177.584 -0.523 0.000 1.228 203 A CA -0.501 51.294 52.037 -0.403 0.000 0.689 203 A CB 0.959 19.820 19.000 -0.231 0.000 1.303 203 A HN 0.452 nan 8.150 nan 0.000 0.444 204 Y N 0.458 120.658 120.300 -0.167 0.000 2.361 204 Y HA 0.526 5.076 4.550 0.000 0.000 0.337 204 Y C -0.186 175.616 175.900 -0.164 0.000 0.965 204 Y CA -0.982 56.983 58.100 -0.225 0.000 1.091 204 Y CB 1.881 40.053 38.460 -0.480 0.000 1.182 204 Y HN 0.554 nan 8.280 nan 0.000 0.450 205 N N 2.962 121.650 118.700 -0.021 0.000 2.400 205 N HA 0.398 5.138 4.740 0.000 0.000 0.288 205 N C -0.989 174.479 175.510 -0.070 0.000 1.024 205 N CA -0.561 52.457 53.050 -0.054 0.000 0.894 205 N CB 1.559 40.008 38.487 -0.063 0.000 1.173 205 N HN 0.492 nan 8.380 nan 0.000 0.487 206 I N 2.529 123.064 120.570 -0.058 0.000 2.352 206 I HA 0.201 4.372 4.170 0.000 0.000 0.290 206 I C 0.166 176.268 176.117 -0.023 0.000 1.036 206 I CA -0.481 60.786 61.300 -0.054 0.000 1.336 206 I CB 0.536 38.552 38.000 0.027 0.000 1.407 206 I HN 0.061 nan 8.210 nan 0.000 0.497 207 V N 7.195 127.088 119.914 -0.035 0.000 2.539 207 V HA 0.372 4.492 4.120 0.000 0.000 0.292 207 V C 0.211 176.260 176.094 -0.074 0.000 1.045 207 V CA -0.842 61.431 62.300 -0.044 0.000 0.945 207 V CB 1.904 33.699 31.823 -0.047 0.000 0.993 207 V HN 0.670 nan 8.190 nan 0.000 0.464 208 K N 4.596 124.901 120.400 -0.159 0.000 2.323 208 K HA 0.656 4.976 4.320 0.000 0.000 0.259 208 K C -1.322 175.131 176.600 -0.244 0.000 0.947 208 K CA -0.551 55.513 56.287 -0.371 0.000 0.819 208 K CB 1.309 33.525 32.500 -0.473 0.000 1.109 208 K HN 0.653 nan 8.250 nan 0.000 0.429 209 I N 7.089 127.520 120.570 -0.232 0.000 2.362 209 I HA 0.341 4.511 4.170 0.000 0.000 0.289 209 I C -1.964 174.073 176.117 -0.132 0.000 0.994 209 I CA -2.539 58.675 61.300 -0.144 0.000 1.158 209 I CB 1.609 39.552 38.000 -0.095 0.000 1.315 209 I HN 0.566 nan 8.210 nan 0.000 0.451 210 P HA 0.284 nan 4.420 nan 0.000 0.274 210 P C -2.676 174.601 177.300 -0.038 0.000 1.256 210 P CA -1.626 61.431 63.100 -0.072 0.000 0.795 210 P CB -0.347 31.321 31.700 -0.054 0.000 1.038 211 P HA 0.116 nan 4.420 nan 0.000 0.269 211 P C -0.195 177.104 177.300 -0.003 0.000 1.215 211 P CA -0.250 62.850 63.100 -0.000 0.000 0.780 211 P CB 0.140 31.846 31.700 0.011 0.000 0.898 212 L N 2.839 124.063 121.223 0.003 0.000 2.513 212 L HA 0.015 4.355 4.340 0.000 0.000 0.272 212 L C 0.359 177.233 176.870 0.006 0.000 1.187 212 L CA 0.944 55.786 54.840 0.004 0.000 0.895 212 L CB -0.319 41.744 42.059 0.007 0.000 1.147 212 L HN 0.279 nan 8.230 nan 0.000 0.483 213 Q N 3.715 123.518 119.800 0.005 0.000 2.293 213 Q HA 0.408 4.748 4.340 0.000 0.000 0.216 213 Q C 1.051 177.056 176.000 0.008 0.000 1.003 213 Q CA 0.077 55.884 55.803 0.006 0.000 0.995 213 Q CB 0.807 29.548 28.738 0.004 0.000 1.172 213 Q HN 0.784 nan 8.270 nan 0.000 0.518 214 A N 0.387 123.212 122.820 0.008 0.000 1.978 214 A HA -0.221 4.099 4.320 0.000 0.000 0.220 214 A C 1.341 178.930 177.584 0.009 0.000 1.170 214 A CA 2.227 54.269 52.037 0.009 0.000 0.636 214 A CB -0.602 18.403 19.000 0.008 0.000 0.810 214 A HN 0.757 nan 8.150 nan 0.000 0.448 215 D N -0.538 119.867 120.400 0.009 0.000 2.149 215 D HA -0.132 4.508 4.640 0.000 0.000 0.198 215 D C 0.728 177.035 176.300 0.011 0.000 0.990 215 D CA 1.388 55.394 54.000 0.010 0.000 0.839 215 D CB -0.004 40.802 40.800 0.010 0.000 0.948 215 D HN 0.252 nan 8.370 nan 0.000 0.460 216 K N -0.494 119.912 120.400 0.011 0.000 3.446 216 K HA -0.213 4.107 4.320 0.000 0.000 0.312 216 K C -0.271 176.337 176.600 0.013 0.000 1.329 216 K CA 0.503 56.797 56.287 0.012 0.000 0.935 216 K CB -1.989 30.519 32.500 0.012 0.000 1.281 216 K HN 0.418 nan 8.250 nan 0.000 0.457 217 E N 1.600 121.808 120.200 0.013 0.000 2.415 217 E HA -0.012 4.338 4.350 0.000 0.000 0.262 217 E C -0.013 176.593 176.600 0.010 0.000 1.038 217 E CA -0.080 56.329 56.400 0.015 0.000 0.921 217 E CB 0.495 30.204 29.700 0.016 0.000 0.950 217 E HN 0.050 nan 8.360 nan 0.000 0.438 218 D N 4.659 125.067 120.400 0.013 0.000 2.389 218 D HA -0.015 4.625 4.640 0.000 0.000 0.263 218 D C -1.808 174.473 176.300 -0.032 0.000 1.255 218 D CA -1.674 52.327 54.000 0.001 0.000 0.914 218 D CB 1.023 41.830 40.800 0.011 0.000 1.116 218 D HN 0.212 nan 8.370 nan 0.000 0.502 219 P HA -0.126 nan 4.420 nan 0.000 0.218 219 P C 1.683 178.912 177.300 -0.119 0.000 1.146 219 P CA 0.817 63.883 63.100 -0.056 0.000 0.813 219 P CB 0.217 31.895 31.700 -0.037 0.000 0.778 220 I N -0.373 120.077 120.570 -0.201 0.000 2.361 220 I HA -0.213 3.957 4.170 0.000 0.000 0.251 220 I C 2.028 177.853 176.117 -0.488 0.000 1.133 220 I CA 1.873 62.928 61.300 -0.409 0.000 1.413 220 I CB -0.731 36.901 38.000 -0.613 0.000 1.073 220 I HN 0.091 nan 8.210 nan 0.000 0.424 221 S N 0.195 115.722 115.700 -0.290 0.000 2.547 221 S HA -0.051 4.419 4.470 0.000 0.000 0.235 221 S C 1.438 176.065 174.600 0.044 0.000 0.980 221 S CA 0.556 58.765 58.200 0.015 0.000 0.941 221 S CB -0.154 63.122 63.200 0.126 0.000 0.763 221 S HN 0.379 nan 8.310 nan 0.000 0.532 222 K N 1.440 121.823 120.400 -0.028 0.000 2.414 222 K HA 0.319 4.639 4.320 0.000 0.000 0.204 222 K C -0.188 176.393 176.600 -0.032 0.000 1.026 222 K CA -0.067 56.212 56.287 -0.014 0.000 1.108 222 K CB 0.783 33.269 32.500 -0.023 0.000 0.855 222 K HN 0.284 nan 8.250 nan 0.000 0.517 223 S N 2.599 118.272 115.700 -0.044 0.000 2.568 223 S HA 0.028 4.498 4.470 0.000 0.000 0.282 223 S C 0.293 174.880 174.600 -0.023 0.000 1.338 223 S CA 0.042 58.211 58.200 -0.053 0.000 1.045 223 S CB 0.546 63.712 63.200 -0.056 0.000 0.873 223 S HN 0.352 nan 8.310 nan 0.000 0.516 224 E N 0.483 120.657 120.200 -0.043 0.000 2.430 224 E HA 0.456 4.807 4.350 0.000 0.000 0.279 224 E C -1.497 175.079 176.600 -0.040 0.000 1.003 224 E CA -0.986 55.395 56.400 -0.032 0.000 0.801 224 E CB 0.693 30.374 29.700 -0.032 0.000 1.313 224 E HN 0.262 nan 8.360 nan 0.000 0.459 225 I N 2.748 123.299 120.570 -0.033 0.000 2.371 225 I HA 0.071 4.241 4.170 0.000 0.000 0.290 225 I C 1.036 177.134 176.117 -0.032 0.000 1.028 225 I CA -0.386 60.892 61.300 -0.037 0.000 1.345 225 I CB 1.138 39.111 38.000 -0.046 0.000 1.407 225 I HN 0.596 nan 8.210 nan 0.000 0.501 226 V N 7.215 127.119 119.914 -0.016 0.000 2.374 226 V HA 0.093 4.213 4.120 0.000 0.000 0.241 226 V C 0.588 176.666 176.094 -0.026 0.000 1.034 226 V CA 0.909 63.216 62.300 0.012 0.000 1.037 226 V CB 0.815 32.704 31.823 0.110 0.000 0.682 226 V HN 0.613 nan 8.190 nan 0.000 0.463 227 V N -1.178 118.697 119.914 -0.065 0.000 3.264 227 V HA 0.460 4.580 4.120 0.000 0.000 0.294 227 V C -1.932 174.034 176.094 -0.213 0.000 1.429 227 V CA -0.584 61.630 62.300 -0.143 0.000 1.053 227 V CB 2.357 34.076 31.823 -0.173 0.000 1.128 227 V HN 0.484 nan 8.190 nan 0.000 0.452 228 Q N 2.085 121.715 119.800 -0.283 0.000 2.337 228 Q HA 0.623 4.963 4.340 0.000 0.000 0.270 228 Q C -2.076 173.668 176.000 -0.426 0.000 1.043 228 Q CA -0.510 55.139 55.803 -0.257 0.000 0.794 228 Q CB 1.988 30.619 28.738 -0.178 0.000 1.281 228 Q HN 0.624 nan 8.270 nan 0.000 0.446 229 F N 4.254 124.080 119.950 -0.208 0.000 2.399 229 F HA 0.514 5.041 4.527 0.000 0.000 0.334 229 F C -1.797 173.838 175.800 -0.274 0.000 1.097 229 F CA -1.916 55.871 58.000 -0.354 0.000 1.076 229 F CB 1.052 39.895 39.000 -0.261 0.000 1.162 229 F HN 0.459 nan 8.300 nan 0.000 0.495 230 P HA 0.105 nan 4.420 nan 0.000 0.276 230 P C -0.892 176.466 177.300 0.096 0.000 1.252 230 P CA -0.442 62.607 63.100 -0.085 0.000 0.802 230 P CB 1.347 32.996 31.700 -0.085 0.000 1.035 231 C N 1.525 120.844 119.300 0.032 0.000 2.376 231 C HA 0.294 4.754 4.460 0.000 0.000 0.335 231 C C 2.311 177.323 174.990 0.037 0.000 1.229 231 C CA 0.256 59.314 59.018 0.066 0.000 1.867 231 C CB 0.080 27.691 27.740 -0.216 0.000 2.319 231 C HN 0.735 nan 8.230 nan 0.000 0.515 232 S N 2.003 117.666 115.700 -0.062 0.000 2.442 232 S HA -0.074 4.396 4.470 0.000 0.000 0.236 232 S C 0.261 174.720 174.600 -0.234 0.000 1.007 232 S CA 1.114 59.082 58.200 -0.387 0.000 0.965 232 S CB -0.159 62.313 63.200 -1.213 0.000 0.773 232 S HN 0.888 nan 8.310 nan 0.000 0.504 233 D N 0.190 120.483 120.400 -0.178 0.000 2.757 233 D HA 0.313 4.953 4.640 0.000 0.000 0.249 233 D C 0.696 176.877 176.300 -0.198 0.000 1.168 233 D CA -0.664 53.245 54.000 -0.151 0.000 0.870 233 D CB 1.775 42.500 40.800 -0.126 0.000 1.411 233 D HN 0.054 nan 8.370 nan 0.000 0.525 234 R N 2.463 122.788 120.500 -0.291 0.000 2.119 234 R HA -0.175 4.165 4.340 0.000 0.000 0.246 234 R C 0.691 176.630 176.300 -0.600 0.000 1.146 234 R CA 1.929 57.703 56.100 -0.544 0.000 0.962 234 R CB 0.011 29.788 30.300 -0.872 0.000 0.863 234 R HN 0.365 nan 8.270 nan 0.000 0.442 235 F N -0.954 118.909 119.950 -0.145 0.000 2.706 235 F HA 0.348 4.876 4.527 0.000 0.000 0.313 235 F C -0.308 175.335 175.800 -0.261 0.000 1.096 235 F CA -0.142 57.707 58.000 -0.252 0.000 1.219 235 F CB 0.801 39.559 39.000 -0.403 0.000 1.051 235 F HN -0.275 nan 8.300 nan 0.000 0.568 236 K N 2.382 122.750 120.400 -0.054 0.000 2.621 236 K HA 0.302 4.622 4.320 0.000 0.000 0.233 236 K C -2.844 173.706 176.600 -0.084 0.000 0.972 236 K CA -1.824 54.420 56.287 -0.072 0.000 0.988 236 K CB 1.938 34.409 32.500 -0.049 0.000 1.187 236 K HN -0.212 nan 8.250 nan 0.000 0.471 237 P HA 0.087 nan 4.420 nan 0.000 0.274 237 P C -0.449 176.911 177.300 0.100 0.000 1.237 237 P CA -0.358 62.713 63.100 -0.048 0.000 0.793 237 P CB 1.079 32.702 31.700 -0.128 0.000 0.977 238 S N 0.717 116.584 115.700 0.278 0.000 2.592 238 S HA 0.134 4.604 4.470 0.000 0.000 0.271 238 S C -0.196 174.574 174.600 0.282 0.000 1.326 238 S CA -0.181 58.144 58.200 0.208 0.000 1.024 238 S CB -0.186 63.095 63.200 0.135 0.000 0.921 238 S HN 0.393 nan 8.310 nan 0.000 0.527 239 Y N 2.682 123.056 120.300 0.124 0.000 2.526 239 Y HA 0.312 4.863 4.550 0.000 0.000 0.330 239 Y C -0.561 175.454 175.900 0.191 0.000 1.156 239 Y CA -0.154 58.068 58.100 0.204 0.000 1.419 239 Y CB 0.111 38.701 38.460 0.217 0.000 1.250 239 Y HN 0.278 nan 8.280 nan 0.000 0.540 240 V N 7.683 127.383 119.914 -0.356 0.000 2.487 240 V HA 0.153 4.274 4.120 0.000 0.000 0.298 240 V C -0.160 175.708 176.094 -0.376 0.000 1.028 240 V CA -0.626 61.545 62.300 -0.215 0.000 0.860 240 V CB 1.293 33.110 31.823 -0.009 0.000 0.991 240 V HN 0.927 nan 8.190 nan 0.000 0.427 241 H N 2.705 121.606 119.070 -0.281 0.000 2.557 241 H HA 0.368 4.924 4.556 0.000 0.000 0.281 241 H C 0.903 176.328 175.328 0.163 0.000 0.990 241 H CA 0.995 56.997 56.048 -0.076 0.000 1.278 241 H CB 0.814 30.650 29.762 0.123 0.000 1.451 241 H HN 0.789 nan 8.280 nan 0.000 0.516 242 S N -1.123 114.721 115.700 0.240 0.000 2.643 242 S HA 0.495 4.965 4.470 0.000 0.000 0.270 242 S C -1.133 173.717 174.600 0.418 0.000 1.166 242 S CA -0.487 57.880 58.200 0.279 0.000 0.815 242 S CB 1.720 65.014 63.200 0.157 0.000 1.139 242 S HN 0.329 nan 8.310 nan 0.000 0.472 243 F N -1.467 118.483 119.950 -0.001 0.000 2.745 243 F HA 0.924 5.451 4.527 0.000 0.000 0.316 243 F C -0.245 175.252 175.800 -0.505 0.000 1.155 243 F CA -0.815 57.020 58.000 -0.274 0.000 0.937 243 F CB 0.872 39.861 39.000 -0.020 0.000 1.361 243 F HN 0.917 nan 8.300 nan 0.000 0.472 244 G N 1.040 109.449 108.800 -0.652 0.000 2.400 244 G HA2 0.651 4.611 3.960 0.000 0.000 0.333 244 G HA3 0.651 4.611 3.960 0.000 0.000 0.333 244 G C -2.371 172.323 174.900 -0.343 0.000 1.143 244 G CA -0.888 43.921 45.100 -0.485 0.000 0.914 244 G HN 0.829 nan 8.290 nan 0.000 0.480 245 L N 1.281 122.172 121.223 -0.553 0.000 2.455 245 L HA 0.782 5.123 4.340 0.000 0.000 0.264 245 L C 0.251 176.940 176.870 -0.302 0.000 0.968 245 L CA -0.298 54.268 54.840 -0.456 0.000 0.827 245 L CB 2.407 44.015 42.059 -0.752 0.000 1.317 245 L HN 0.878 nan 8.230 nan 0.000 0.407 246 T N 0.687 115.155 114.554 -0.143 0.000 2.864 246 T HA 0.629 4.979 4.350 0.000 0.000 0.289 246 T C -2.395 172.253 174.700 -0.086 0.000 1.082 246 T CA -1.728 60.335 62.100 -0.061 0.000 1.009 246 T CB 1.671 70.585 68.868 0.076 0.000 1.234 246 T HN 0.363 nan 8.240 nan 0.000 0.526 247 P HA 0.013 nan 4.420 nan 0.000 0.218 247 P C 0.914 178.138 177.300 -0.127 0.000 1.148 247 P CA 1.030 64.080 63.100 -0.082 0.000 0.822 247 P CB 0.073 31.741 31.700 -0.054 0.000 0.784 248 N N -3.316 115.293 118.700 -0.152 0.000 2.227 248 N HA 0.089 4.829 4.740 0.000 0.000 0.196 248 N C -0.202 174.883 175.510 -0.709 0.000 1.142 248 N CA 0.344 53.142 53.050 -0.420 0.000 0.887 248 N CB 0.599 38.780 38.487 -0.510 0.000 1.022 248 N HN 0.219 nan 8.380 nan 0.000 0.500 249 Y N 0.017 120.296 120.300 -0.034 0.000 2.553 249 Y HA 0.555 5.105 4.550 0.000 0.000 0.347 249 Y C -0.300 175.601 175.900 0.003 0.000 1.019 249 Y CA -0.802 57.300 58.100 0.003 0.000 1.032 249 Y CB 1.854 40.327 38.460 0.022 0.000 1.284 249 Y HN -0.286 nan 8.280 nan 0.000 0.466 250 I N 2.442 123.172 120.570 0.268 0.000 2.441 250 I HA 0.564 4.734 4.170 0.000 0.000 0.295 250 I C -1.127 175.232 176.117 0.402 0.000 0.994 250 I CA -1.008 60.475 61.300 0.304 0.000 1.144 250 I CB 1.684 39.903 38.000 0.365 0.000 1.314 250 I HN 0.214 nan 8.210 nan 0.000 0.445 251 V N 6.310 126.407 119.914 0.304 0.000 2.487 251 V HA 0.417 4.537 4.120 0.000 0.000 0.298 251 V C -0.940 175.279 176.094 0.208 0.000 1.028 251 V CA -0.672 61.768 62.300 0.232 0.000 0.860 251 V CB 1.775 33.677 31.823 0.131 0.000 0.991 251 V HN 0.477 nan 8.190 nan 0.000 0.427 252 F N 5.854 125.746 119.950 -0.096 0.000 2.518 252 F HA 0.793 5.320 4.527 0.000 0.000 0.323 252 F C -0.808 174.939 175.800 -0.088 0.000 1.129 252 F CA -1.021 56.814 58.000 -0.274 0.000 0.920 252 F CB 1.892 40.259 39.000 -1.055 0.000 1.160 252 F HN 0.244 nan 8.300 nan 0.000 0.440 253 V N 5.766 125.274 119.914 -0.676 0.000 2.357 253 V HA 0.303 4.424 4.120 0.000 0.000 0.284 253 V C -0.385 175.153 176.094 -0.926 0.000 1.018 253 V CA -0.749 61.188 62.300 -0.605 0.000 0.841 253 V CB 1.303 33.013 31.823 -0.188 0.000 0.991 253 V HN 0.786 nan 8.190 nan 0.000 0.437 254 E N 3.741 123.448 120.200 -0.821 0.000 2.046 254 E HA 0.391 4.741 4.350 0.000 0.000 0.279 254 E C 0.107 176.498 176.600 -0.347 0.000 0.989 254 E CA -0.379 55.681 56.400 -0.565 0.000 0.798 254 E CB 0.948 30.473 29.700 -0.291 0.000 1.086 254 E HN 0.857 nan 8.360 nan 0.000 0.399 255 T N 1.136 115.516 114.554 -0.290 0.000 2.902 255 T HA 0.364 4.714 4.350 0.000 0.000 0.280 255 T C -1.745 172.840 174.700 -0.192 0.000 0.992 255 T CA -1.796 60.136 62.100 -0.281 0.000 1.015 255 T CB 1.437 70.166 68.868 -0.231 0.000 1.044 255 T HN 0.242 nan 8.240 nan 0.000 0.520 256 P HA 0.083 nan 4.420 nan 0.000 0.239 256 P C 0.102 177.369 177.300 -0.056 0.000 1.184 256 P CA -0.012 63.026 63.100 -0.104 0.000 0.760 256 P CB -0.244 31.434 31.700 -0.037 0.000 0.884 257 V N 2.072 121.958 119.914 -0.046 0.000 2.387 257 V HA 0.106 4.226 4.120 0.000 0.000 0.260 257 V C 0.766 176.848 176.094 -0.020 0.000 1.054 257 V CA 0.240 62.498 62.300 -0.070 0.000 0.967 257 V CB 0.043 31.738 31.823 -0.213 0.000 1.036 257 V HN -0.018 nan 8.190 nan 0.000 0.481 258 K N 4.697 125.085 120.400 -0.019 0.000 2.156 258 K HA 0.651 4.972 4.320 0.000 0.000 0.250 258 K C -0.650 175.890 176.600 -0.100 0.000 0.955 258 K CA -0.759 55.510 56.287 -0.030 0.000 0.855 258 K CB 2.688 35.158 32.500 -0.049 0.000 1.101 258 K HN 0.443 nan 8.250 nan 0.000 0.434 259 I N 2.027 122.503 120.570 -0.157 0.000 2.330 259 I HA 0.133 4.303 4.170 0.000 0.000 0.289 259 I C 0.383 176.395 176.117 -0.176 0.000 1.001 259 I CA -0.606 60.503 61.300 -0.319 0.000 1.193 259 I CB 0.995 38.822 38.000 -0.288 0.000 1.345 259 I HN 0.283 nan 8.210 nan 0.000 0.461 260 N N 7.290 125.900 118.700 -0.149 0.000 2.555 260 N HA 0.182 4.922 4.740 0.000 0.000 0.244 260 N C 0.870 176.352 175.510 -0.046 0.000 1.114 260 N CA 0.103 53.120 53.050 -0.056 0.000 0.963 260 N CB 0.726 39.220 38.487 0.012 0.000 1.276 260 N HN 0.668 nan 8.380 nan 0.000 0.510 261 L N 2.096 123.258 121.223 -0.103 0.000 2.083 261 L HA -0.165 4.175 4.340 0.000 0.000 0.209 261 L C 1.443 178.301 176.870 -0.021 0.000 1.083 261 L CA 0.936 55.721 54.840 -0.092 0.000 0.752 261 L CB -0.353 41.612 42.059 -0.156 0.000 0.899 261 L HN 0.387 nan 8.230 nan 0.000 0.433 262 F N 0.685 120.614 119.950 -0.034 0.000 2.147 262 F HA -0.302 4.225 4.527 0.000 0.000 0.301 262 F C 2.545 178.349 175.800 0.006 0.000 1.084 262 F CA 1.557 59.531 58.000 -0.044 0.000 1.268 262 F CB -0.581 38.377 39.000 -0.068 0.000 1.009 262 F HN -0.018 nan 8.300 nan 0.000 0.486 263 K N -0.875 119.652 120.400 0.213 0.000 2.137 263 K HA -0.037 4.283 4.320 0.000 0.000 0.202 263 K C 1.980 178.701 176.600 0.201 0.000 1.052 263 K CA 0.572 56.955 56.287 0.160 0.000 0.961 263 K CB -0.701 31.854 32.500 0.091 0.000 0.741 263 K HN 0.066 nan 8.250 nan 0.000 0.452 264 F N 0.764 120.697 119.950 -0.029 0.000 2.084 264 F HA -0.071 4.456 4.527 0.000 0.000 0.296 264 F C 1.770 177.537 175.800 -0.055 0.000 1.111 264 F CA 0.726 58.667 58.000 -0.099 0.000 1.224 264 F CB -0.884 37.962 39.000 -0.256 0.000 0.991 264 F HN 0.018 nan 8.300 nan 0.000 0.471 265 L N -0.410 120.856 121.223 0.071 0.000 2.191 265 L HA -0.141 4.199 4.340 0.000 0.000 0.212 265 L C 2.494 179.598 176.870 0.390 0.000 1.103 265 L CA 2.047 56.965 54.840 0.130 0.000 0.769 265 L CB -1.180 40.912 42.059 0.055 0.000 0.908 265 L HN 0.219 nan 8.230 nan 0.000 0.438 266 S N -2.048 113.821 115.700 0.281 0.000 2.336 266 S HA -0.149 4.322 4.470 0.000 0.000 0.216 266 S C 2.140 176.879 174.600 0.231 0.000 1.032 266 S CA 1.381 59.705 58.200 0.207 0.000 0.973 266 S CB -0.414 62.865 63.200 0.132 0.000 0.888 266 S HN 0.567 nan 8.310 nan 0.000 0.455 267 S N 0.690 116.556 115.700 0.275 0.000 2.436 267 S HA -0.007 4.463 4.470 0.000 0.000 0.228 267 S C 1.591 176.382 174.600 0.320 0.000 1.014 267 S CA 1.142 59.488 58.200 0.244 0.000 0.950 267 S CB -0.474 62.842 63.200 0.194 0.000 0.784 267 S HN 0.864 nan 8.310 nan 0.000 0.504 268 W N 1.620 123.025 121.300 0.176 0.000 2.825 268 W HA 0.253 4.913 4.660 0.000 0.000 0.243 268 W C 0.849 177.385 176.519 0.029 0.000 1.293 268 W CA 0.590 58.020 57.345 0.142 0.000 1.403 268 W CB -1.216 28.311 29.460 0.112 0.000 1.134 268 W HN 0.237 nan 8.180 nan 0.000 0.666 269 S N 1.248 116.823 115.700 -0.208 0.000 2.492 269 S HA -0.025 4.445 4.470 0.000 0.000 0.218 269 S C 1.889 176.374 174.600 -0.192 0.000 1.016 269 S CA 0.883 58.859 58.200 -0.373 0.000 0.916 269 S CB -0.260 62.782 63.200 -0.265 0.000 0.791 269 S HN 0.246 nan 8.310 nan 0.000 0.513 270 L N -1.946 119.254 121.223 -0.038 0.000 2.044 270 L HA 0.332 4.672 4.340 0.000 0.000 0.205 270 L C 1.606 178.504 176.870 0.047 0.000 1.075 270 L CA 1.368 56.228 54.840 0.033 0.000 0.747 270 L CB -0.837 41.299 42.059 0.127 0.000 0.903 270 L HN 0.346 nan 8.230 nan 0.000 0.435 271 W N -1.386 119.854 121.300 -0.100 0.000 5.465 271 W HA 0.530 5.190 4.660 0.000 0.000 0.160 271 W C 0.024 176.436 176.519 -0.178 0.000 1.373 271 W CA 0.312 57.567 57.345 -0.151 0.000 1.891 271 W CB 0.437 29.831 29.460 -0.111 0.000 0.552 271 W HN 0.201 nan 8.180 nan 0.000 1.112 272 G N 1.041 109.966 108.800 0.208 0.000 1.788 272 G HA2 0.509 4.469 3.960 0.000 0.000 0.267 272 G HA3 0.509 4.469 3.960 0.000 0.000 0.267 272 G C -1.404 173.636 174.900 0.232 0.000 1.786 272 G CA -0.178 45.034 45.100 0.187 0.000 0.915 272 G HN 0.417 nan 8.290 nan 0.000 0.625 273 A N 2.015 125.006 122.820 0.286 0.000 2.269 273 A HA 0.922 5.242 4.320 0.000 0.000 0.319 273 A C 0.424 178.082 177.584 0.123 0.000 1.110 273 A CA -0.237 51.904 52.037 0.173 0.000 0.847 273 A CB 0.996 20.075 19.000 0.132 0.000 1.161 273 A HN 1.410 nan 8.150 nan 0.000 0.497 274 N N -1.561 117.091 118.700 -0.080 0.000 2.906 274 N HA 0.382 5.122 4.740 0.000 0.000 0.327 274 N C 0.091 175.240 175.510 -0.602 0.000 1.344 274 N CA -0.529 52.424 53.050 -0.162 0.000 0.823 274 N CB -0.053 38.485 38.487 0.085 0.000 1.351 274 N HN 0.460 nan 8.380 nan 0.000 0.604 275 Y N -1.159 118.883 120.300 -0.430 0.000 2.200 275 Y HA -0.087 4.463 4.550 0.000 0.000 0.290 275 Y C 2.454 178.192 175.900 -0.270 0.000 1.137 275 Y CA 1.436 59.279 58.100 -0.427 0.000 1.163 275 Y CB -0.299 38.137 38.460 -0.041 0.000 0.988 275 Y HN 0.499 nan 8.280 nan 0.000 0.518 276 M N 0.723 120.118 119.600 -0.342 0.000 2.144 276 M HA -0.246 4.234 4.480 0.000 0.000 0.260 276 M C 1.170 177.542 176.300 0.120 0.000 1.067 276 M CA 1.801 57.011 55.300 -0.150 0.000 1.095 276 M CB -0.440 31.941 32.600 -0.366 0.000 1.365 276 M HN 0.062 nan 8.290 nan 0.000 0.406 277 D N -0.738 119.637 120.400 -0.041 0.000 2.311 277 D HA -0.123 4.517 4.640 0.000 0.000 0.212 277 D C 1.740 178.021 176.300 -0.032 0.000 0.972 277 D CA 1.241 55.225 54.000 -0.026 0.000 0.887 277 D CB -0.469 40.286 40.800 -0.074 0.000 0.915 277 D HN 0.493 nan 8.370 nan 0.000 0.497 278 C N -0.146 119.089 119.300 -0.108 0.000 2.673 278 C HA 0.169 4.629 4.460 0.000 0.000 0.264 278 C C 0.804 175.676 174.990 -0.195 0.000 1.304 278 C CA -0.772 58.133 59.018 -0.188 0.000 1.727 278 C CB -1.206 26.324 27.740 -0.350 0.000 1.932 278 C HN 0.011 nan 8.230 nan 0.000 0.563 279 F N 2.697 122.634 119.950 -0.022 0.000 2.399 279 F HA 0.374 4.901 4.527 0.000 0.000 0.342 279 F C 0.754 176.553 175.800 -0.003 0.000 1.106 279 F CA 0.017 57.997 58.000 -0.033 0.000 1.196 279 F CB 0.512 39.494 39.000 -0.031 0.000 1.163 279 F HN 0.326 nan 8.300 nan 0.000 0.547 280 E N -0.189 120.083 120.200 0.120 0.000 2.456 280 E HA 0.678 5.028 4.350 0.000 0.000 0.276 280 E C -1.639 175.002 176.600 0.068 0.000 0.981 280 E CA -1.228 55.232 56.400 0.099 0.000 0.814 280 E CB 1.864 31.597 29.700 0.054 0.000 1.382 280 E HN 0.330 nan 8.360 nan 0.000 0.459 281 S N 0.819 116.560 115.700 0.068 0.000 2.478 281 S HA 0.303 4.774 4.470 0.000 0.000 0.312 281 S C -0.806 173.729 174.600 -0.110 0.000 1.094 281 S CA -0.843 57.380 58.200 0.038 0.000 1.081 281 S CB 0.871 64.200 63.200 0.215 0.000 1.007 281 S HN 0.508 nan 8.310 nan 0.000 0.475 282 N N 2.385 120.985 118.700 -0.166 0.000 2.422 282 N HA 0.122 4.862 4.740 0.000 0.000 0.264 282 N C 0.558 175.803 175.510 -0.442 0.000 1.063 282 N CA -0.084 52.830 53.050 -0.227 0.000 0.959 282 N CB 0.844 39.233 38.487 -0.164 0.000 1.087 282 N HN 0.639 nan 8.380 nan 0.000 0.483 283 E N 1.224 121.112 120.200 -0.520 0.000 2.299 283 E HA -0.061 4.289 4.350 0.000 0.000 0.193 283 E C 0.810 177.206 176.600 -0.341 0.000 0.998 283 E CA 1.034 56.940 56.400 -0.825 0.000 0.851 283 E CB 0.356 29.739 29.700 -0.529 0.000 0.795 283 E HN 0.790 nan 8.360 nan 0.000 0.492 284 T N -1.961 112.500 114.554 -0.156 0.000 2.971 284 T HA 0.078 4.428 4.350 0.000 0.000 0.252 284 T C 1.947 176.691 174.700 0.074 0.000 1.022 284 T CA -0.155 61.940 62.100 -0.008 0.000 0.980 284 T CB -0.074 68.803 68.868 0.014 0.000 1.044 284 T HN 0.116 nan 8.240 nan 0.000 0.501 285 M N 0.786 120.413 119.600 0.045 0.000 2.388 285 M HA 0.466 4.946 4.480 0.000 0.000 0.265 285 M C 1.660 178.122 176.300 0.269 0.000 1.088 285 M CA 0.880 56.279 55.300 0.165 0.000 1.134 285 M CB -0.829 31.725 32.600 -0.077 0.000 1.384 285 M HN 0.358 nan 8.290 nan 0.000 0.447 286 G N 1.110 110.004 108.800 0.156 0.000 2.547 286 G HA2 -0.232 3.729 3.960 0.000 0.000 0.271 286 G HA3 -0.232 3.729 3.960 0.000 0.000 0.271 286 G C -0.530 174.384 174.900 0.024 0.000 1.209 286 G CA -0.189 45.004 45.100 0.154 0.000 0.959 286 G HN 0.435 nan 8.290 nan 0.000 0.563 287 V N 0.216 120.104 119.914 -0.043 0.000 2.495 287 V HA 0.628 4.748 4.120 0.000 0.000 0.298 287 V C -0.747 175.398 176.094 0.085 0.000 1.031 287 V CA -0.406 61.772 62.300 -0.202 0.000 0.871 287 V CB 1.671 33.062 31.823 -0.720 0.000 0.988 287 V HN 0.586 nan 8.190 nan 0.000 0.432 288 W N 5.535 126.668 121.300 -0.279 0.000 2.349 288 W HA 0.724 5.384 4.660 0.000 0.000 0.309 288 W C -0.651 175.621 176.519 -0.412 0.000 1.083 288 W CA -1.184 55.992 57.345 -0.282 0.000 1.224 288 W CB 0.850 30.219 29.460 -0.151 0.000 1.256 288 W HN 0.268 nan 8.180 nan 0.000 0.461 289 L N 4.644 125.738 121.223 -0.216 0.000 2.334 289 L HA 0.500 4.840 4.340 0.000 0.000 0.275 289 L C 0.226 176.981 176.870 -0.192 0.000 1.036 289 L CA -0.598 54.110 54.840 -0.218 0.000 0.807 289 L CB 1.004 42.937 42.059 -0.209 0.000 1.231 289 L HN 0.298 nan 8.230 nan 0.000 0.438 290 H N 2.781 121.928 119.070 0.129 0.000 2.851 290 H HA 0.630 5.186 4.556 0.000 0.000 0.372 290 H C -1.079 174.502 175.328 0.421 0.000 1.158 290 H CA -0.481 55.801 56.048 0.390 0.000 1.159 290 H CB 2.572 32.612 29.762 0.463 0.000 1.757 290 H HN 0.400 nan 8.280 nan 0.000 0.546 291 I N 1.147 122.115 120.570 0.663 0.000 2.689 291 I HA 0.574 4.744 4.170 0.000 0.000 0.299 291 I C -0.425 176.031 176.117 0.565 0.000 1.059 291 I CA -0.854 60.773 61.300 0.544 0.000 1.055 291 I CB 2.236 40.404 38.000 0.280 0.000 1.243 291 I HN 0.559 nan 8.210 nan 0.000 0.425 292 A N 3.129 126.259 122.820 0.517 0.000 2.386 292 A HA 0.445 4.765 4.320 0.000 0.000 0.311 292 A C -1.088 176.637 177.584 0.236 0.000 1.068 292 A CA -0.566 51.627 52.037 0.261 0.000 0.743 292 A CB 1.387 20.400 19.000 0.022 0.000 1.258 292 A HN 0.699 nan 8.150 nan 0.000 0.429 293 D N 1.934 122.404 120.400 0.116 0.000 2.346 293 D HA 0.032 4.672 4.640 0.000 0.000 0.260 293 D C 0.919 177.168 176.300 -0.085 0.000 1.252 293 D CA 0.250 54.225 54.000 -0.041 0.000 0.895 293 D CB 0.942 41.719 40.800 -0.039 0.000 1.097 293 D HN 0.611 nan 8.370 nan 0.000 0.489 294 K N 3.666 123.970 120.400 -0.160 0.000 2.025 294 K HA -0.125 4.195 4.320 0.000 0.000 0.207 294 K C 1.436 177.997 176.600 -0.065 0.000 1.049 294 K CA 0.905 57.130 56.287 -0.104 0.000 0.933 294 K CB 0.288 32.686 32.500 -0.169 0.000 0.714 294 K HN 0.329 nan 8.250 nan 0.000 0.438 295 K N -0.114 120.222 120.400 -0.107 0.000 2.116 295 K HA -0.036 4.284 4.320 0.000 0.000 0.203 295 K C 2.082 178.655 176.600 -0.044 0.000 1.052 295 K CA 0.804 57.054 56.287 -0.061 0.000 0.952 295 K CB 0.046 32.497 32.500 -0.081 0.000 0.729 295 K HN 0.062 nan 8.250 nan 0.000 0.446 296 R N 1.115 121.579 120.500 -0.060 0.000 2.299 296 R HA 0.073 4.414 4.340 0.000 0.000 0.197 296 R C -0.243 176.041 176.300 -0.026 0.000 0.971 296 R CA 0.175 56.252 56.100 -0.038 0.000 1.030 296 R CB 0.056 30.332 30.300 -0.039 0.000 0.932 296 R HN 0.079 nan 8.270 nan 0.000 0.477 297 K N 0.874 121.259 120.400 -0.025 0.000 3.244 297 K HA -0.213 4.107 4.320 0.000 0.000 0.270 297 K C -0.670 175.914 176.600 -0.027 0.000 1.016 297 K CA 0.717 56.993 56.287 -0.018 0.000 0.754 297 K CB -1.096 31.399 32.500 -0.008 0.000 1.326 297 K HN 0.143 nan 8.250 nan 0.000 0.465 298 K N 1.347 121.733 120.400 -0.022 0.000 2.507 298 K HA 0.246 4.566 4.320 0.000 0.000 0.251 298 K C -0.975 175.638 176.600 0.022 0.000 0.943 298 K CA -0.915 55.371 56.287 -0.003 0.000 0.794 298 K CB 0.978 33.477 32.500 -0.002 0.000 1.188 298 K HN 0.128 nan 8.250 nan 0.000 0.428 299 Y N 4.754 124.988 120.300 -0.109 0.000 2.620 299 Y HA 0.133 4.683 4.550 0.000 0.000 0.330 299 Y C -0.470 175.450 175.900 0.034 0.000 1.186 299 Y CA 0.200 58.252 58.100 -0.079 0.000 1.467 299 Y CB 0.332 38.734 38.460 -0.098 0.000 1.262 299 Y HN 0.413 nan 8.280 nan 0.000 0.550 300 I N 6.480 126.717 120.570 -0.555 0.000 2.321 300 I HA 0.104 4.274 4.170 0.000 0.000 0.291 300 I C 0.253 175.888 176.117 -0.804 0.000 0.998 300 I CA -0.573 60.461 61.300 -0.444 0.000 1.227 300 I CB 0.849 38.773 38.000 -0.127 0.000 1.368 300 I HN 0.572 nan 8.210 nan 0.000 0.466 301 N N 5.892 124.300 118.700 -0.487 0.000 3.259 301 N HA 0.083 4.823 4.740 0.000 0.000 0.308 301 N C -0.842 174.531 175.510 -0.228 0.000 1.334 301 N CA -0.040 52.825 53.050 -0.309 0.000 1.202 301 N CB -0.343 38.098 38.487 -0.077 0.000 1.485 301 N HN 0.439 nan 8.380 nan 0.000 0.549 302 N N 0.643 119.162 118.700 -0.302 0.000 2.419 302 N HA 0.151 4.891 4.740 0.000 0.000 0.277 302 N C -0.364 174.811 175.510 -0.560 0.000 1.006 302 N CA -0.105 52.660 53.050 -0.474 0.000 0.923 302 N CB 1.164 39.249 38.487 -0.671 0.000 1.140 302 N HN 0.112 nan 8.380 nan 0.000 0.488 303 K N 2.814 122.912 120.400 -0.504 0.000 2.265 303 K HA 0.189 4.509 4.320 0.000 0.000 0.242 303 K C -0.634 175.693 176.600 -0.455 0.000 1.137 303 K CA -0.369 55.668 56.287 -0.416 0.000 1.082 303 K CB -0.052 32.251 32.500 -0.329 0.000 1.731 303 K HN 0.425 nan 8.250 nan 0.000 0.392 304 Y N 1.347 121.506 120.300 -0.235 0.000 2.442 304 Y HA 0.125 4.675 4.550 0.000 0.000 0.330 304 Y C 0.759 176.478 175.900 -0.302 0.000 1.129 304 Y CA -0.210 57.754 58.100 -0.227 0.000 1.365 304 Y CB 0.553 38.890 38.460 -0.205 0.000 1.233 304 Y HN 0.107 nan 8.280 nan 0.000 0.529 305 R N 1.493 121.918 120.500 -0.125 0.000 2.621 305 R HA 0.639 4.979 4.340 0.000 0.000 0.284 305 R C -0.508 175.471 176.300 -0.535 0.000 0.998 305 R CA -0.732 55.245 56.100 -0.204 0.000 0.895 305 R CB 2.154 32.448 30.300 -0.009 0.000 1.195 305 R HN 0.746 nan 8.270 nan 0.000 0.450 306 T N -0.702 113.497 114.554 -0.591 0.000 2.647 306 T HA 0.389 4.739 4.350 0.000 0.000 0.295 306 T C -0.552 173.895 174.700 -0.423 0.000 1.126 306 T CA -0.304 61.172 62.100 -1.039 0.000 1.040 306 T CB 0.963 69.462 68.868 -0.614 0.000 1.472 306 T HN 0.605 nan 8.240 nan 0.000 0.500 307 S N 2.065 117.691 115.700 -0.124 0.000 2.614 307 S HA 0.547 5.017 4.470 0.000 0.000 0.265 307 S C -2.600 172.105 174.600 0.175 0.000 1.303 307 S CA -0.995 57.351 58.200 0.244 0.000 1.000 307 S CB 0.224 63.646 63.200 0.370 0.000 0.935 307 S HN 0.627 nan 8.310 nan 0.000 0.551 308 P HA 0.331 nan 4.420 nan 0.000 0.271 308 P C -0.861 176.577 177.300 0.230 0.000 1.216 308 P CA -0.056 63.136 63.100 0.155 0.000 0.771 308 P CB -0.229 31.677 31.700 0.344 0.000 0.864 309 F N -0.810 119.217 119.950 0.128 0.000 2.693 309 F HA 0.453 4.980 4.527 0.000 0.000 0.309 309 F C -0.970 174.885 175.800 0.092 0.000 1.129 309 F CA -1.308 56.767 58.000 0.126 0.000 0.948 309 F CB 0.871 39.935 39.000 0.106 0.000 1.315 309 F HN 0.104 nan 8.300 nan 0.000 0.447 310 N N 1.260 120.192 118.700 0.386 0.000 2.529 310 N HA 0.556 5.296 4.740 0.000 0.000 0.278 310 N C -1.723 173.881 175.510 0.156 0.000 1.146 310 N CA -0.569 52.569 53.050 0.147 0.000 0.980 310 N CB 1.998 40.554 38.487 0.115 0.000 1.124 310 N HN 0.640 nan 8.380 nan 0.000 0.458 311 L N 2.618 123.715 121.223 -0.211 0.000 2.409 311 L HA 0.408 4.748 4.340 0.000 0.000 0.272 311 L C -1.052 175.455 176.870 -0.605 0.000 0.980 311 L CA -0.222 54.515 54.840 -0.171 0.000 0.826 311 L CB 1.131 43.251 42.059 0.102 0.000 1.268 311 L HN 0.463 nan 8.230 nan 0.000 0.407 312 F N 1.349 121.364 119.950 0.109 0.000 2.480 312 F HA 0.345 4.872 4.527 0.000 0.000 0.280 312 F C 0.404 176.085 175.800 -0.198 0.000 1.002 312 F CA -0.069 57.813 58.000 -0.197 0.000 1.325 312 F CB -0.084 38.578 39.000 -0.562 0.000 1.134 312 F HN 0.433 nan 8.300 nan 0.000 0.646 313 H N -0.327 118.929 119.070 0.309 0.000 2.587 313 H HA 0.274 4.830 4.556 0.000 0.000 0.325 313 H C -0.441 174.964 175.328 0.130 0.000 1.012 313 H CA -0.629 55.529 56.048 0.183 0.000 1.213 313 H CB 0.432 30.273 29.762 0.132 0.000 1.431 313 H HN 0.049 nan 8.280 nan 0.000 0.492 314 H N 3.007 122.180 119.070 0.170 0.000 2.871 314 H HA -0.003 4.553 4.556 0.000 0.000 0.355 314 H C 0.930 176.347 175.328 0.149 0.000 1.092 314 H CA 0.667 56.799 56.048 0.140 0.000 1.420 314 H CB 1.700 31.529 29.762 0.112 0.000 1.400 314 H HN 0.674 nan 8.280 nan 0.000 0.604 315 I N 1.229 121.945 120.570 0.244 0.000 2.499 315 I HA -0.053 4.117 4.170 0.000 0.000 0.243 315 I C 0.653 176.848 176.117 0.131 0.000 1.085 315 I CA 0.542 61.970 61.300 0.215 0.000 1.422 315 I CB 0.219 38.367 38.000 0.247 0.000 1.165 315 I HN 0.468 nan 8.210 nan 0.000 0.440 316 N N -1.067 117.683 118.700 0.084 0.000 3.127 316 N HA 0.340 5.080 4.740 0.000 0.000 0.239 316 N C -1.567 173.979 175.510 0.061 0.000 1.407 316 N CA -0.285 52.725 53.050 -0.068 0.000 0.891 316 N CB 1.927 40.025 38.487 -0.648 0.000 1.447 316 N HN -0.128 nan 8.380 nan 0.000 0.507 317 T N 1.195 115.780 114.554 0.052 0.000 2.933 317 T HA 0.657 5.007 4.350 0.000 0.000 0.305 317 T C -1.584 173.213 174.700 0.161 0.000 1.092 317 T CA -0.460 61.688 62.100 0.079 0.000 1.008 317 T CB 0.923 69.806 68.868 0.025 0.000 1.102 317 T HN 0.498 nan 8.240 nan 0.000 0.469 318 Y N -0.811 119.515 120.300 0.042 0.000 2.656 318 Y HA 0.744 5.294 4.550 0.000 0.000 0.334 318 Y C -1.306 174.634 175.900 0.067 0.000 1.179 318 Y CA -1.419 56.710 58.100 0.049 0.000 1.050 318 Y CB 0.941 39.447 38.460 0.076 0.000 1.308 318 Y HN 0.493 nan 8.280 nan 0.000 0.456 319 E N 1.234 121.589 120.200 0.257 0.000 2.216 319 E HA 0.364 4.715 4.350 0.000 0.000 0.279 319 E C -1.589 175.161 176.600 0.250 0.000 0.997 319 E CA -0.778 55.719 56.400 0.162 0.000 0.817 319 E CB 1.453 31.256 29.700 0.172 0.000 1.096 319 E HN 0.510 nan 8.360 nan 0.000 0.393 320 D N 1.969 122.488 120.400 0.198 0.000 2.476 320 D HA 0.199 4.840 4.640 0.000 0.000 0.251 320 D C -0.459 176.074 176.300 0.389 0.000 1.291 320 D CA -0.269 53.910 54.000 0.298 0.000 0.939 320 D CB 0.140 41.129 40.800 0.316 0.000 1.221 320 D HN 0.563 nan 8.370 nan 0.000 0.567 321 H N 1.024 120.199 119.070 0.174 0.000 1.452 321 H HA -0.217 4.340 4.556 0.000 0.000 0.090 321 H C 0.280 175.658 175.328 0.083 0.000 1.001 321 H CA 1.586 57.724 56.048 0.149 0.000 1.901 321 H CB -0.382 29.498 29.762 0.197 0.000 2.257 321 H HN 0.379 nan 8.280 nan 0.000 0.961 322 E N 1.714 121.987 120.200 0.121 0.000 2.311 322 E HA 0.229 4.580 4.350 0.000 0.000 0.198 322 E C -0.646 175.570 176.600 -0.639 0.000 1.115 322 E CA 0.199 56.437 56.400 -0.271 0.000 1.140 322 E CB -0.392 29.117 29.700 -0.319 0.000 1.204 322 E HN 0.155 nan 8.360 nan 0.000 0.446 323 F N -0.363 119.578 119.950 -0.015 0.000 2.576 323 F HA 0.419 4.946 4.527 0.000 0.000 0.313 323 F C 0.129 175.842 175.800 -0.146 0.000 1.078 323 F CA -0.935 57.016 58.000 -0.081 0.000 0.921 323 F CB 1.494 40.459 39.000 -0.057 0.000 1.232 323 F HN -0.228 nan 8.300 nan 0.000 0.459 324 L N 4.186 125.384 121.223 -0.042 0.000 2.282 324 L HA 0.468 4.808 4.340 0.000 0.000 0.288 324 L C -0.848 175.927 176.870 -0.159 0.000 1.033 324 L CA -0.809 53.947 54.840 -0.141 0.000 0.807 324 L CB 1.083 43.014 42.059 -0.213 0.000 1.209 324 L HN 0.358 nan 8.230 nan 0.000 0.423 325 I N 4.740 125.123 120.570 -0.312 0.000 2.315 325 I HA 0.264 4.434 4.170 0.000 0.000 0.291 325 I C 0.011 175.996 176.117 -0.221 0.000 1.006 325 I CA -0.543 60.530 61.300 -0.378 0.000 1.265 325 I CB 1.381 38.869 38.000 -0.854 0.000 1.387 325 I HN 0.148 nan 8.210 nan 0.000 0.475 326 V N 5.890 125.759 119.914 -0.075 0.000 2.325 326 V HA 0.313 4.433 4.120 0.000 0.000 0.280 326 V C -0.513 175.626 176.094 0.075 0.000 1.016 326 V CA -0.715 61.606 62.300 0.035 0.000 0.818 326 V CB 1.532 33.380 31.823 0.043 0.000 1.019 326 V HN 0.555 nan 8.190 nan 0.000 0.434 327 D N 5.283 125.750 120.400 0.112 0.000 2.232 327 D HA 0.689 5.329 4.640 0.000 0.000 0.242 327 D C -0.384 175.961 176.300 0.076 0.000 1.093 327 D CA 0.049 54.113 54.000 0.107 0.000 0.845 327 D CB 2.193 43.122 40.800 0.214 0.000 1.124 327 D HN 0.317 nan 8.370 nan 0.000 0.467 328 L N 0.927 122.154 121.223 0.007 0.000 2.409 328 L HA 0.451 4.791 4.340 0.000 0.000 0.262 328 L C -0.688 176.167 176.870 -0.025 0.000 0.992 328 L CA -0.989 53.817 54.840 -0.058 0.000 0.817 328 L CB 2.442 44.407 42.059 -0.158 0.000 1.350 328 L HN 0.289 nan 8.230 nan 0.000 0.411 329 C N 1.474 120.798 119.300 0.041 0.000 2.225 329 C HA 0.484 4.944 4.460 0.000 0.000 0.328 329 C C 0.416 175.402 174.990 -0.006 0.000 1.187 329 C CA -0.767 58.290 59.018 0.064 0.000 1.665 329 C CB -0.782 27.097 27.740 0.231 0.000 2.253 329 C HN 0.688 nan 8.230 nan 0.000 0.497 330 C N 2.261 121.459 119.300 -0.169 0.000 2.399 330 C HA 0.639 5.100 4.460 0.000 0.000 0.348 330 C C -0.577 174.317 174.990 -0.161 0.000 1.183 330 C CA -0.629 58.280 59.018 -0.183 0.000 2.023 330 C CB 0.553 27.981 27.740 -0.520 0.000 2.361 330 C HN 0.891 nan 8.230 nan 0.000 0.521 331 W N 1.188 122.565 121.300 0.128 0.000 2.554 331 W HA 0.461 5.121 4.660 0.000 0.000 0.324 331 W C -0.234 176.402 176.519 0.194 0.000 1.018 331 W CA -0.547 56.904 57.345 0.176 0.000 1.243 331 W CB 0.730 30.351 29.460 0.267 0.000 1.345 331 W HN 0.438 nan 8.180 nan 0.000 0.441 332 K N 3.098 123.677 120.400 0.298 0.000 2.338 332 K HA 0.571 4.891 4.320 0.000 0.000 0.290 332 K C 0.459 177.181 176.600 0.204 0.000 1.069 332 K CA 0.245 56.672 56.287 0.233 0.000 0.941 332 K CB 0.328 32.901 32.500 0.121 0.000 1.023 332 K HN 0.718 nan 8.250 nan 0.000 0.477 333 G N 1.873 110.790 108.800 0.195 0.000 2.340 333 G HA2 -0.063 3.897 3.960 0.000 0.000 0.527 333 G HA3 -0.063 3.897 3.960 0.000 0.000 0.527 333 G C -0.356 174.618 174.900 0.123 0.000 1.381 333 G CA -0.927 44.194 45.100 0.035 0.000 1.001 333 G HN 0.433 nan 8.290 nan 0.000 0.626 334 F N -0.630 119.424 119.950 0.172 0.000 2.731 334 F HA 0.511 5.038 4.527 0.000 0.000 0.298 334 F C 0.846 176.751 175.800 0.174 0.000 1.106 334 F CA -0.113 57.971 58.000 0.140 0.000 1.329 334 F CB 0.028 39.084 39.000 0.093 0.000 1.100 334 F HN 0.647 nan 8.300 nan 0.000 0.592 335 E N 1.632 122.005 120.200 0.289 0.000 2.452 335 E HA -0.063 4.287 4.350 0.000 0.000 0.261 335 E C -0.756 176.092 176.600 0.413 0.000 0.987 335 E CA -0.530 56.083 56.400 0.354 0.000 0.926 335 E CB 0.384 30.260 29.700 0.292 0.000 0.934 335 E HN 0.145 nan 8.360 nan 0.000 0.452 336 F N 5.513 125.587 119.950 0.207 0.000 2.506 336 F HA 0.023 4.551 4.527 0.000 0.000 0.371 336 F C 0.789 176.698 175.800 0.182 0.000 1.078 336 F CA -0.553 57.526 58.000 0.131 0.000 1.195 336 F CB 0.687 39.709 39.000 0.035 0.000 1.099 336 F HN 0.342 nan 8.300 nan 0.000 0.548 337 V N 7.445 127.484 119.914 0.209 0.000 2.469 337 V HA -0.346 3.774 4.120 0.000 0.000 0.251 337 V C 1.868 177.860 176.094 -0.170 0.000 1.064 337 V CA 1.726 64.023 62.300 -0.005 0.000 1.066 337 V CB -1.061 30.635 31.823 -0.212 0.000 0.667 337 V HN 0.740 nan 8.190 nan 0.000 0.461 338 Y N 0.870 120.660 120.300 -0.850 0.000 2.384 338 Y HA -0.158 4.393 4.550 0.000 0.000 0.289 338 Y C 2.378 178.023 175.900 -0.425 0.000 1.152 338 Y CA 0.665 58.282 58.100 -0.804 0.000 1.258 338 Y CB -1.194 36.458 38.460 -1.347 0.000 0.979 338 Y HN 0.390 nan 8.280 nan 0.000 0.549 339 N N -0.817 117.776 118.700 -0.178 0.000 2.348 339 N HA -0.195 4.545 4.740 0.000 0.000 0.185 339 N C 0.986 176.344 175.510 -0.254 0.000 1.019 339 N CA 1.169 54.154 53.050 -0.107 0.000 0.880 339 N CB -0.600 37.782 38.487 -0.175 0.000 0.965 339 N HN 0.432 nan 8.380 nan 0.000 0.437 340 Y N -0.442 119.723 120.300 -0.224 0.000 2.457 340 Y HA 0.308 4.858 4.550 0.000 0.000 0.263 340 Y C 1.014 176.609 175.900 -0.508 0.000 1.164 340 Y CA 0.046 57.937 58.100 -0.350 0.000 1.274 340 Y CB 0.403 38.500 38.460 -0.604 0.000 1.097 340 Y HN -0.065 nan 8.280 nan 0.000 0.523 341 L N -0.171 120.775 121.223 -0.463 0.000 3.141 341 L HA 0.241 4.581 4.340 0.000 0.000 0.267 341 L C -0.837 175.363 176.870 -1.116 0.000 1.281 341 L CA -0.348 54.034 54.840 -0.763 0.000 1.037 341 L CB -0.332 41.173 42.059 -0.924 0.000 1.407 341 L HN 0.083 nan 8.230 nan 0.000 0.566 342 Y N 0.101 120.044 120.300 -0.595 0.000 2.411 342 Y HA 0.046 4.596 4.550 0.000 0.000 0.333 342 Y C 1.502 177.174 175.900 -0.380 0.000 1.186 342 Y CA -0.046 57.800 58.100 -0.423 0.000 1.381 342 Y CB 0.971 39.345 38.460 -0.144 0.000 1.273 342 Y HN 0.088 nan 8.280 nan 0.000 0.546 343 L N 2.045 123.175 121.223 -0.154 0.000 2.083 343 L HA -0.251 4.089 4.340 0.000 0.000 0.209 343 L C 2.331 179.112 176.870 -0.148 0.000 1.083 343 L CA 1.314 56.000 54.840 -0.258 0.000 0.752 343 L CB -0.579 41.400 42.059 -0.133 0.000 0.899 343 L HN 0.881 nan 8.230 nan 0.000 0.433 344 A N 0.124 122.940 122.820 -0.007 0.000 1.972 344 A HA -0.186 4.135 4.320 0.000 0.000 0.219 344 A C 2.040 179.619 177.584 -0.008 0.000 1.169 344 A CA 1.700 53.742 52.037 0.009 0.000 0.635 344 A CB -0.421 18.607 19.000 0.045 0.000 0.810 344 A HN 0.456 nan 8.150 nan 0.000 0.446 345 N N 0.015 118.701 118.700 -0.024 0.000 2.250 345 N HA 0.010 4.750 4.740 0.000 0.000 0.181 345 N C 1.565 177.064 175.510 -0.017 0.000 1.017 345 N CA 1.004 54.048 53.050 -0.009 0.000 0.866 345 N CB -0.360 38.126 38.487 -0.003 0.000 0.985 345 N HN 0.472 nan 8.380 nan 0.000 0.429 346 L N 0.634 121.774 121.223 -0.139 0.000 2.362 346 L HA 0.005 4.345 4.340 0.000 0.000 0.219 346 L C 1.835 178.740 176.870 0.059 0.000 1.134 346 L CA 0.714 55.454 54.840 -0.167 0.000 0.807 346 L CB -0.073 41.600 42.059 -0.644 0.000 0.927 346 L HN 0.021 nan 8.230 nan 0.000 0.447 347 R N -0.508 120.013 120.500 0.036 0.000 2.317 347 R HA 0.096 4.436 4.340 0.000 0.000 0.208 347 R C 0.319 176.723 176.300 0.174 0.000 0.914 347 R CA -0.146 56.039 56.100 0.142 0.000 1.060 347 R CB 0.214 30.537 30.300 0.038 0.000 1.015 347 R HN 0.387 nan 8.270 nan 0.000 0.498 348 E N 1.232 121.542 120.200 0.183 0.000 2.409 348 E HA 0.010 4.360 4.350 0.000 0.000 0.257 348 E C -0.221 176.546 176.600 0.278 0.000 1.150 348 E CA -0.184 56.318 56.400 0.169 0.000 0.942 348 E CB 0.479 30.250 29.700 0.118 0.000 0.979 348 E HN 0.086 nan 8.360 nan 0.000 0.447 349 N N 1.120 119.945 118.700 0.208 0.000 2.415 349 N HA -0.101 4.639 4.740 0.000 0.000 0.248 349 N C 0.640 176.371 175.510 0.368 0.000 1.271 349 N CA 0.053 53.264 53.050 0.268 0.000 0.913 349 N CB 0.408 38.995 38.487 0.167 0.000 1.129 349 N HN 0.651 nan 8.380 nan 0.000 0.444 350 W N 1.585 123.037 121.300 0.254 0.000 2.338 350 W HA -0.190 4.470 4.660 0.000 0.000 0.304 350 W C 1.042 177.611 176.519 0.084 0.000 1.212 350 W CA 0.992 58.469 57.345 0.221 0.000 1.264 350 W CB 0.270 29.882 29.460 0.254 0.000 1.142 350 W HN 0.519 nan 8.180 nan 0.000 0.512 351 E N 0.832 121.011 120.200 -0.036 0.000 2.110 351 E HA -0.218 4.132 4.350 0.000 0.000 0.193 351 E C 1.695 178.183 176.600 -0.187 0.000 0.988 351 E CA 1.748 58.034 56.400 -0.189 0.000 0.804 351 E CB -0.393 29.286 29.700 -0.036 0.000 0.745 351 E HN 0.461 nan 8.360 nan 0.000 0.458 352 E N -0.002 120.155 120.200 -0.072 0.000 2.112 352 E HA -0.065 4.285 4.350 0.000 0.000 0.190 352 E C 2.210 178.773 176.600 -0.061 0.000 0.979 352 E CA 0.441 56.818 56.400 -0.038 0.000 0.814 352 E CB -0.108 29.607 29.700 0.025 0.000 0.762 352 E HN -0.026 nan 8.360 nan 0.000 0.460 353 V N 1.455 121.322 119.914 -0.079 0.000 2.287 353 V HA -0.321 3.800 4.120 0.000 0.000 0.248 353 V C 2.030 177.981 176.094 -0.238 0.000 1.053 353 V CA 1.858 64.101 62.300 -0.095 0.000 1.027 353 V CB -0.359 31.434 31.823 -0.050 0.000 0.646 353 V HN 0.230 nan 8.190 nan 0.000 0.447 354 K N -0.038 120.002 120.400 -0.600 0.000 2.026 354 K HA -0.240 4.080 4.320 0.000 0.000 0.208 354 K C 2.281 178.770 176.600 -0.184 0.000 1.048 354 K CA 1.741 57.642 56.287 -0.643 0.000 0.929 354 K CB -0.272 31.633 32.500 -0.992 0.000 0.713 354 K HN 0.383 nan 8.250 nan 0.000 0.439 355 K N 1.186 121.497 120.400 -0.149 0.000 2.074 355 K HA -0.188 4.132 4.320 0.000 0.000 0.209 355 K C 1.721 178.349 176.600 0.048 0.000 1.048 355 K CA 1.714 57.981 56.287 -0.034 0.000 0.926 355 K CB -0.027 32.454 32.500 -0.032 0.000 0.713 355 K HN 0.045 nan 8.250 nan 0.000 0.444 356 N N 0.499 119.241 118.700 0.070 0.000 2.205 356 N HA -0.142 4.598 4.740 0.000 0.000 0.186 356 N C 1.334 177.021 175.510 0.295 0.000 1.015 356 N CA 1.366 54.518 53.050 0.170 0.000 0.862 356 N CB -0.246 38.341 38.487 0.167 0.000 0.986 356 N HN 0.347 nan 8.380 nan 0.000 0.429 357 A N 0.487 123.454 122.820 0.245 0.000 2.251 357 A HA 0.108 4.428 4.320 0.000 0.000 0.209 357 A C 2.019 179.660 177.584 0.094 0.000 1.187 357 A CA -0.018 52.145 52.037 0.209 0.000 0.823 357 A CB -0.107 18.982 19.000 0.148 0.000 0.846 357 A HN 0.138 nan 8.150 nan 0.000 0.486 358 R N 0.322 120.892 120.500 0.117 0.000 2.103 358 R HA -0.125 4.215 4.340 0.000 0.000 0.242 358 R C 1.034 177.373 176.300 0.065 0.000 1.142 358 R CA 1.755 57.900 56.100 0.076 0.000 0.960 358 R CB -0.171 30.172 30.300 0.072 0.000 0.858 358 R HN 0.385 nan 8.270 nan 0.000 0.439 359 K N -0.196 120.272 120.400 0.113 0.000 2.397 359 K HA 0.240 4.560 4.320 0.000 0.000 0.202 359 K C -0.067 176.597 176.600 0.107 0.000 1.022 359 K CA -0.332 56.026 56.287 0.118 0.000 1.141 359 K CB 1.247 33.841 32.500 0.157 0.000 0.857 359 K HN 0.096 nan 8.250 nan 0.000 0.514 360 A N 2.448 125.245 122.820 -0.038 0.000 2.313 360 A HA 0.334 4.654 4.320 0.000 0.000 0.261 360 A C -2.313 175.260 177.584 -0.018 0.000 1.090 360 A CA -1.222 50.649 52.037 -0.278 0.000 0.807 360 A CB -0.125 18.483 19.000 -0.653 0.000 1.055 360 A HN -0.029 nan 8.150 nan 0.000 0.492 361 P HA 0.078 nan 4.420 nan 0.000 0.266 361 P C -0.704 176.795 177.300 0.331 0.000 1.195 361 P CA 0.168 63.411 63.100 0.239 0.000 0.768 361 P CB 0.355 32.279 31.700 0.372 0.000 0.838 362 Q N 4.009 123.926 119.800 0.195 0.000 2.274 362 Q HA 0.269 4.609 4.340 0.000 0.000 0.256 362 Q C -2.109 173.864 176.000 -0.045 0.000 0.927 362 Q CA -1.754 54.085 55.803 0.060 0.000 0.939 362 Q CB 0.884 29.613 28.738 -0.016 0.000 1.201 362 Q HN 0.363 nan 8.270 nan 0.000 0.426 363 P HA 0.184 nan 4.420 nan 0.000 0.278 363 P C -0.830 176.252 177.300 -0.363 0.000 1.238 363 P CA -0.115 62.530 63.100 -0.757 0.000 0.794 363 P CB 1.221 32.234 31.700 -1.146 0.000 0.955 364 E N 1.100 121.111 120.200 -0.314 0.000 2.347 364 E HA 0.297 4.647 4.350 0.000 0.000 0.285 364 E C -1.532 174.982 176.600 -0.143 0.000 0.925 364 E CA -0.761 55.534 56.400 -0.176 0.000 0.779 364 E CB 1.982 31.578 29.700 -0.174 0.000 1.233 364 E HN 0.052 nan 8.360 nan 0.000 0.414 365 V N 4.289 124.172 119.914 -0.052 0.000 2.432 365 V HA 0.458 4.579 4.120 0.000 0.000 0.271 365 V C 0.059 176.066 176.094 -0.145 0.000 1.046 365 V CA -0.094 62.165 62.300 -0.068 0.000 0.945 365 V CB 0.940 32.728 31.823 -0.059 0.000 0.992 365 V HN 0.566 nan 8.190 nan 0.000 0.471 366 R N 3.569 123.954 120.500 -0.191 0.000 2.621 366 R HA 0.572 4.912 4.340 0.000 0.000 0.292 366 R C -0.483 175.662 176.300 -0.259 0.000 0.969 366 R CA -0.875 55.042 56.100 -0.304 0.000 0.887 366 R CB 2.571 32.597 30.300 -0.456 0.000 1.180 366 R HN 0.681 nan 8.270 nan 0.000 0.450 367 R N 3.028 123.349 120.500 -0.299 0.000 2.229 367 R HA 0.260 4.600 4.340 0.000 0.000 0.332 367 R C -1.259 174.834 176.300 -0.346 0.000 0.989 367 R CA -0.296 55.678 56.100 -0.210 0.000 0.842 367 R CB 0.578 30.785 30.300 -0.155 0.000 1.119 367 R HN 0.525 nan 8.270 nan 0.000 0.456 368 Y N 2.568 122.789 120.300 -0.133 0.000 2.387 368 Y HA 0.417 4.967 4.550 0.000 0.000 0.330 368 Y C -0.150 175.662 175.900 -0.147 0.000 1.133 368 Y CA -0.660 57.356 58.100 -0.139 0.000 1.152 368 Y CB 2.205 40.581 38.460 -0.139 0.000 1.215 368 Y HN 0.202 nan 8.280 nan 0.000 0.466 369 V N 4.866 124.787 119.914 0.012 0.000 2.407 369 V HA 0.325 4.445 4.120 0.000 0.000 0.291 369 V C -1.044 175.052 176.094 0.004 0.000 1.018 369 V CA -0.776 61.501 62.300 -0.039 0.000 0.842 369 V CB 1.285 33.037 31.823 -0.118 0.000 0.996 369 V HN 0.414 nan 8.190 nan 0.000 0.426 370 L N 8.329 129.521 121.223 -0.051 0.000 2.276 370 L HA 0.536 4.876 4.340 0.000 0.000 0.286 370 L C -2.285 174.605 176.870 0.033 0.000 1.024 370 L CA -1.853 52.875 54.840 -0.187 0.000 0.826 370 L CB 1.368 43.035 42.059 -0.654 0.000 1.211 370 L HN 0.385 nan 8.230 nan 0.000 0.422 371 P HA 0.139 nan 4.420 nan 0.000 0.271 371 P C 0.693 177.948 177.300 -0.075 0.000 1.220 371 P CA -0.072 63.007 63.100 -0.035 0.000 0.768 371 P CB 0.981 32.737 31.700 0.095 0.000 0.848 372 L N 2.236 123.292 121.223 -0.278 0.000 2.209 372 L HA 0.036 4.376 4.340 0.000 0.000 0.207 372 L C 0.641 177.431 176.870 -0.134 0.000 1.094 372 L CA 0.989 55.718 54.840 -0.185 0.000 0.790 372 L CB -0.409 41.495 42.059 -0.258 0.000 0.932 372 L HN 0.374 nan 8.230 nan 0.000 0.447 373 N N 0.664 119.252 118.700 -0.187 0.000 2.444 373 N HA 0.360 5.100 4.740 0.000 0.000 0.262 373 N C -0.952 174.502 175.510 -0.094 0.000 0.974 373 N CA -0.406 52.570 53.050 -0.125 0.000 0.933 373 N CB 1.701 40.110 38.487 -0.130 0.000 1.137 373 N HN -0.075 nan 8.380 nan 0.000 0.498 374 I N 1.703 122.233 120.570 -0.066 0.000 2.354 374 I HA 0.242 4.412 4.170 0.000 0.000 0.286 374 I C -0.268 175.826 176.117 -0.039 0.000 1.007 374 I CA -0.649 60.621 61.300 -0.049 0.000 1.167 374 I CB 0.883 38.841 38.000 -0.069 0.000 1.320 374 I HN 0.495 nan 8.210 nan 0.000 0.458 375 D N 5.509 125.895 120.400 -0.023 0.000 2.303 375 D HA 0.259 4.900 4.640 0.000 0.000 0.236 375 D C 0.890 177.183 176.300 -0.012 0.000 1.068 375 D CA -0.341 53.649 54.000 -0.017 0.000 0.830 375 D CB 1.651 42.446 40.800 -0.009 0.000 1.109 375 D HN 0.342 nan 8.370 nan 0.000 0.496 376 K N 2.211 122.602 120.400 -0.015 0.000 2.283 376 K HA -0.042 4.279 4.320 0.000 0.000 0.202 376 K C 1.527 178.123 176.600 -0.007 0.000 1.048 376 K CA 0.727 57.006 56.287 -0.013 0.000 0.948 376 K CB 0.126 32.616 32.500 -0.017 0.000 0.742 376 K HN 0.461 nan 8.250 nan 0.000 0.458 377 A N 1.417 124.235 122.820 -0.004 0.000 2.172 377 A HA -0.133 4.187 4.320 0.000 0.000 0.216 377 A C 1.022 178.608 177.584 0.004 0.000 1.154 377 A CA 1.318 53.354 52.037 -0.001 0.000 0.701 377 A CB -0.017 18.983 19.000 -0.000 0.000 0.789 377 A HN 0.138 nan 8.150 nan 0.000 0.465 378 D N -0.254 120.150 120.400 0.006 0.000 2.342 378 D HA 0.076 4.716 4.640 0.000 0.000 0.221 378 D C -0.039 176.269 176.300 0.014 0.000 1.101 378 D CA 0.258 54.267 54.000 0.014 0.000 0.837 378 D CB -0.057 40.756 40.800 0.023 0.000 0.938 378 D HN 0.171 nan 8.370 nan 0.000 0.508 379 T N -0.055 114.503 114.554 0.007 0.000 2.905 379 T HA 0.290 4.641 4.350 0.000 0.000 0.299 379 T C 1.472 176.178 174.700 0.008 0.000 1.024 379 T CA 1.159 63.262 62.100 0.005 0.000 1.151 379 T CB 0.868 69.734 68.868 -0.003 0.000 0.987 379 T HN 0.359 nan 8.240 nan 0.000 0.535 380 G N 2.801 111.609 108.800 0.013 0.000 2.175 380 G HA2 -0.209 3.751 3.960 0.000 0.000 0.244 380 G HA3 -0.209 3.751 3.960 0.000 0.000 0.244 380 G C 0.050 174.963 174.900 0.022 0.000 0.982 380 G CA 0.091 45.199 45.100 0.013 0.000 0.641 380 G HN 0.666 nan 8.290 nan 0.000 0.527 381 K N -0.141 120.277 120.400 0.030 0.000 2.281 381 K HA 0.470 4.790 4.320 0.000 0.000 0.242 381 K C -0.442 176.189 176.600 0.052 0.000 0.971 381 K CA -1.056 55.251 56.287 0.035 0.000 0.834 381 K CB 1.085 33.602 32.500 0.029 0.000 1.181 381 K HN 0.060 nan 8.250 nan 0.000 0.435 382 N N 2.018 120.748 118.700 0.051 0.000 2.452 382 N HA 0.011 4.751 4.740 0.000 0.000 0.266 382 N C 0.234 175.786 175.510 0.070 0.000 1.209 382 N CA 0.218 53.304 53.050 0.060 0.000 0.929 382 N CB 0.342 38.852 38.487 0.038 0.000 1.063 382 N HN 0.544 nan 8.380 nan 0.000 0.472 383 L N 2.526 123.812 121.223 0.105 0.000 2.558 383 L HA 0.163 4.503 4.340 0.000 0.000 0.225 383 L C 0.224 177.234 176.870 0.235 0.000 1.128 383 L CA 0.033 54.970 54.840 0.162 0.000 0.868 383 L CB 0.210 42.378 42.059 0.182 0.000 1.006 383 L HN 0.318 nan 8.230 nan 0.000 0.454 384 V N 1.089 121.056 119.914 0.087 0.000 2.299 384 V HA 0.015 4.135 4.120 0.000 0.000 0.255 384 V C 1.382 177.352 176.094 -0.206 0.000 1.100 384 V CA 0.405 62.616 62.300 -0.148 0.000 0.938 384 V CB 0.513 32.218 31.823 -0.198 0.000 1.139 384 V HN 0.379 nan 8.190 nan 0.000 0.490 385 T N 1.712 116.152 114.554 -0.191 0.000 3.086 385 T HA 0.307 4.658 4.350 0.000 0.000 0.250 385 T C 0.542 175.129 174.700 -0.189 0.000 1.074 385 T CA -0.143 61.901 62.100 -0.093 0.000 0.988 385 T CB -0.076 68.826 68.868 0.056 0.000 0.988 385 T HN 0.301 nan 8.240 nan 0.000 0.530 386 L N 2.586 123.574 121.223 -0.392 0.000 2.483 386 L HA 0.208 4.548 4.340 0.000 0.000 0.276 386 L C -0.715 176.032 176.870 -0.205 0.000 1.213 386 L CA -1.501 53.143 54.840 -0.326 0.000 0.843 386 L CB 0.657 42.454 42.059 -0.437 0.000 1.107 386 L HN 0.060 nan 8.230 nan 0.000 0.487 387 P HA -0.005 nan 4.420 nan 0.000 0.230 387 P C 0.211 177.451 177.300 -0.099 0.000 1.168 387 P CA 0.770 63.804 63.100 -0.111 0.000 0.793 387 P CB 0.401 32.046 31.700 -0.092 0.000 0.851 388 N N -0.467 118.170 118.700 -0.104 0.000 2.401 388 N HA 0.114 4.854 4.740 0.000 0.000 0.264 388 N C -0.302 175.148 175.510 -0.100 0.000 1.238 388 N CA 0.265 53.264 53.050 -0.087 0.000 0.889 388 N CB 1.081 39.529 38.487 -0.065 0.000 1.196 388 N HN 0.081 nan 8.380 nan 0.000 0.511 389 T N -0.918 113.563 114.554 -0.121 0.000 2.883 389 T HA 0.295 4.645 4.350 0.000 0.000 0.301 389 T C 0.672 175.297 174.700 -0.124 0.000 1.158 389 T CA -0.401 61.621 62.100 -0.130 0.000 1.007 389 T CB 1.292 70.065 68.868 -0.158 0.000 1.186 389 T HN 0.127 nan 8.240 nan 0.000 0.499 390 T N 0.354 114.837 114.554 -0.118 0.000 3.069 390 T HA 0.554 4.904 4.350 0.000 0.000 0.252 390 T C 0.867 175.502 174.700 -0.108 0.000 1.053 390 T CA 0.134 62.172 62.100 -0.103 0.000 0.964 390 T CB -0.029 68.784 68.868 -0.092 0.000 1.005 390 T HN 0.794 nan 8.240 nan 0.000 0.532 391 A N 2.378 125.118 122.820 -0.133 0.000 2.462 391 A HA 0.550 4.870 4.320 0.000 0.000 0.243 391 A C 0.799 178.330 177.584 -0.088 0.000 1.076 391 A CA -0.148 51.810 52.037 -0.131 0.000 0.773 391 A CB -0.045 18.861 19.000 -0.157 0.000 1.010 391 A HN 0.653 nan 8.150 nan 0.000 0.493 392 T N -1.615 112.916 114.554 -0.038 0.000 2.916 392 T HA 0.801 5.151 4.350 0.000 0.000 0.292 392 T C -0.594 174.140 174.700 0.056 0.000 1.064 392 T CA -0.153 61.954 62.100 0.011 0.000 1.011 392 T CB 1.981 70.875 68.868 0.043 0.000 1.152 392 T HN 1.935 nan 8.240 nan 0.000 0.510 393 A N 1.997 124.872 122.820 0.092 0.000 2.530 393 A HA 0.665 4.985 4.320 0.000 0.000 0.279 393 A C -0.792 176.878 177.584 0.143 0.000 1.109 393 A CA -0.819 51.297 52.037 0.132 0.000 0.763 393 A CB 0.465 19.562 19.000 0.162 0.000 1.257 393 A HN 0.868 nan 8.150 nan 0.000 0.424 394 I N 2.822 123.497 120.570 0.176 0.000 2.321 394 I HA 0.263 4.433 4.170 0.000 0.000 0.291 394 I C -0.282 175.911 176.117 0.127 0.000 0.998 394 I CA -0.842 60.548 61.300 0.150 0.000 1.227 394 I CB 1.631 39.731 38.000 0.168 0.000 1.368 394 I HN 0.597 nan 8.210 nan 0.000 0.466 395 L N 7.967 129.237 121.223 0.078 0.000 2.369 395 L HA 0.268 4.608 4.340 0.000 0.000 0.279 395 L C -0.190 176.698 176.870 0.029 0.000 1.108 395 L CA 0.385 55.250 54.840 0.042 0.000 0.852 395 L CB 0.044 42.117 42.059 0.024 0.000 1.169 395 L HN 0.678 nan 8.230 nan 0.000 0.452 396 C N 2.209 121.520 119.300 0.020 0.000 2.325 396 C HA 0.348 4.808 4.460 0.000 0.000 0.370 396 C C 2.069 177.051 174.990 -0.014 0.000 1.217 396 C CA -0.529 58.491 59.018 0.002 0.000 2.254 396 C CB 1.356 29.096 27.740 -0.001 0.000 2.282 396 C HN 0.967 nan 8.230 nan 0.000 0.564 397 S N 1.466 117.156 115.700 -0.018 0.000 2.399 397 S HA -0.154 4.316 4.470 0.000 0.000 0.231 397 S C 1.407 175.992 174.600 -0.026 0.000 1.022 397 S CA 1.867 60.055 58.200 -0.020 0.000 0.983 397 S CB -0.403 62.786 63.200 -0.019 0.000 0.803 397 S HN 0.950 nan 8.310 nan 0.000 0.480 398 D N 0.650 121.032 120.400 -0.030 0.000 2.352 398 D HA -0.045 4.595 4.640 0.000 0.000 0.232 398 D C 0.410 176.679 176.300 -0.051 0.000 1.055 398 D CA 0.351 54.330 54.000 -0.036 0.000 0.891 398 D CB -0.583 40.196 40.800 -0.036 0.000 0.897 398 D HN 0.503 nan 8.370 nan 0.000 0.529 399 E N -1.550 118.619 120.200 -0.052 0.000 4.129 399 E HA -0.190 4.160 4.350 0.000 0.000 0.354 399 E C -0.157 176.381 176.600 -0.104 0.000 0.673 399 E CA 1.029 57.386 56.400 -0.073 0.000 1.347 399 E CB -2.395 27.259 29.700 -0.077 0.000 1.722 399 E HN 0.600 nan 8.360 nan 0.000 0.410 400 T N -0.335 114.165 114.554 -0.091 0.000 2.900 400 T HA 0.512 4.862 4.350 0.000 0.000 0.307 400 T C 0.325 174.997 174.700 -0.046 0.000 1.065 400 T CA -0.250 61.787 62.100 -0.105 0.000 1.105 400 T CB 1.054 69.878 68.868 -0.073 0.000 0.979 400 T HN 0.175 nan 8.240 nan 0.000 0.544 401 I N 2.368 122.904 120.570 -0.057 0.000 2.390 401 I HA 0.258 4.428 4.170 0.000 0.000 0.283 401 I C -0.255 175.946 176.117 0.139 0.000 1.016 401 I CA -0.679 60.644 61.300 0.038 0.000 1.151 401 I CB 1.033 39.022 38.000 -0.018 0.000 1.293 401 I HN 0.677 nan 8.210 nan 0.000 0.458 402 W N 8.414 129.725 121.300 0.020 0.000 2.335 402 W HA 0.483 5.143 4.660 0.000 0.000 0.306 402 W C -1.536 175.036 176.519 0.088 0.000 1.216 402 W CA -0.553 56.817 57.345 0.042 0.000 1.237 402 W CB 0.896 30.373 29.460 0.027 0.000 1.243 402 W HN 0.335 nan 8.180 nan 0.000 0.493 403 L N 6.100 127.033 121.223 -0.483 0.000 2.322 403 L HA 0.405 4.745 4.340 0.000 0.000 0.279 403 L C 0.247 176.975 176.870 -0.236 0.000 1.036 403 L CA -0.765 53.952 54.840 -0.204 0.000 0.807 403 L CB 1.600 43.614 42.059 -0.074 0.000 1.226 403 L HN 0.287 nan 8.230 nan 0.000 0.433 404 E N 3.314 123.511 120.200 -0.005 0.000 2.222 404 E HA 0.462 4.812 4.350 0.000 0.000 0.267 404 E C -2.517 174.011 176.600 -0.119 0.000 0.884 404 E CA -1.698 54.707 56.400 0.008 0.000 0.764 404 E CB 2.648 32.385 29.700 0.061 0.000 1.169 404 E HN 0.286 nan 8.360 nan 0.000 0.413 405 P HA 0.179 nan 4.420 nan 0.000 0.280 405 P C -0.677 176.408 177.300 -0.360 0.000 1.272 405 P CA -0.482 62.226 63.100 -0.652 0.000 0.819 405 P CB 1.171 32.233 31.700 -1.063 0.000 1.122 406 E N 0.561 120.551 120.200 -0.350 0.000 2.146 406 E HA 0.304 4.654 4.350 0.000 0.000 0.282 406 E C -0.892 175.556 176.600 -0.252 0.000 0.989 406 E CA -0.811 55.444 56.400 -0.242 0.000 0.799 406 E CB 0.771 30.353 29.700 -0.196 0.000 1.088 406 E HN 0.084 nan 8.360 nan 0.000 0.397 407 V N 7.064 126.855 119.914 -0.205 0.000 2.455 407 V HA 0.039 4.159 4.120 0.000 0.000 0.273 407 V C 1.135 177.137 176.094 -0.153 0.000 1.045 407 V CA 0.050 62.236 62.300 -0.190 0.000 0.976 407 V CB 0.942 32.664 31.823 -0.168 0.000 0.993 407 V HN 0.830 nan 8.190 nan 0.000 0.475 408 L N 4.566 125.707 121.223 -0.137 0.000 2.298 408 L HA 0.377 4.717 4.340 0.000 0.000 0.209 408 L C 0.263 177.116 176.870 -0.028 0.000 1.084 408 L CA 0.853 55.631 54.840 -0.104 0.000 0.816 408 L CB 0.164 42.149 42.059 -0.124 0.000 0.967 408 L HN 0.572 nan 8.230 nan 0.000 0.460 409 F N -0.500 119.327 119.950 -0.204 0.000 2.635 409 F HA 0.525 5.052 4.527 0.000 0.000 0.314 409 F C -0.990 174.719 175.800 -0.151 0.000 1.119 409 F CA -0.601 57.289 58.000 -0.183 0.000 1.000 409 F CB 1.853 40.706 39.000 -0.245 0.000 1.278 409 F HN -0.356 nan 8.300 nan 0.000 0.446 410 S N 3.588 118.769 115.700 -0.866 0.000 2.689 410 S HA 0.755 5.225 4.470 0.000 0.000 0.274 410 S C -0.960 173.207 174.600 -0.721 0.000 1.176 410 S CA -0.003 57.836 58.200 -0.601 0.000 1.014 410 S CB 0.961 63.965 63.200 -0.326 0.000 1.071 410 S HN 1.292 nan 8.310 nan 0.000 0.478 411 G N 3.804 112.265 108.800 -0.566 0.000 2.591 411 G HA2 0.659 4.619 3.960 0.000 0.000 0.306 411 G HA3 0.659 4.619 3.960 0.000 0.000 0.306 411 G C -3.376 171.415 174.900 -0.182 0.000 1.334 411 G CA -1.750 43.144 45.100 -0.344 0.000 0.981 411 G HN 0.456 nan 8.290 nan 0.000 0.491 412 P HA 0.127 nan 4.420 nan 0.000 0.259 412 P C 0.300 177.500 177.300 -0.166 0.000 1.211 412 P CA 0.070 63.097 63.100 -0.122 0.000 0.810 412 P CB 0.203 31.856 31.700 -0.078 0.000 0.815 413 R N 0.310 120.679 120.500 -0.218 0.000 3.758 413 R HA -0.241 4.099 4.340 0.000 0.000 0.299 413 R C 0.074 176.223 176.300 -0.252 0.000 1.182 413 R CA 0.588 56.478 56.100 -0.351 0.000 0.809 413 R CB -1.947 27.925 30.300 -0.714 0.000 1.249 413 R HN 0.453 nan 8.270 nan 0.000 0.497 414 Q N 0.643 120.387 119.800 -0.094 0.000 2.401 414 Q HA 0.594 4.934 4.340 0.000 0.000 0.260 414 Q C -0.917 175.174 176.000 0.152 0.000 1.034 414 Q CA -0.065 55.779 55.803 0.070 0.000 0.737 414 Q CB 1.729 30.551 28.738 0.140 0.000 1.227 414 Q HN 0.344 nan 8.270 nan 0.000 0.488 415 A N 3.597 126.492 122.820 0.124 0.000 2.327 415 A HA 0.569 4.889 4.320 0.000 0.000 0.283 415 A C -1.100 176.631 177.584 0.245 0.000 1.127 415 A CA -0.479 51.620 52.037 0.103 0.000 0.810 415 A CB 0.256 19.259 19.000 0.005 0.000 1.066 415 A HN 0.786 nan 8.150 nan 0.000 0.492 416 F N 2.330 122.312 119.950 0.053 0.000 2.375 416 F HA 0.458 4.985 4.527 0.000 0.000 0.362 416 F C 0.300 176.144 175.800 0.073 0.000 1.129 416 F CA 0.176 58.136 58.000 -0.067 0.000 1.154 416 F CB 0.382 39.172 39.000 -0.351 0.000 1.205 416 F HN 0.627 nan 8.300 nan 0.000 0.513 417 E N 3.983 124.196 120.200 0.023 0.000 2.440 417 E HA 0.336 4.686 4.350 0.000 0.000 0.263 417 E C -0.468 176.225 176.600 0.154 0.000 0.938 417 E CA -0.911 55.608 56.400 0.197 0.000 0.831 417 E CB 1.482 31.439 29.700 0.429 0.000 1.456 417 E HN 0.557 nan 8.360 nan 0.000 0.427 418 F N -0.022 119.947 119.950 0.031 0.000 2.829 418 F HA -0.189 4.338 4.527 0.000 0.000 0.237 418 F C -1.921 173.823 175.800 -0.094 0.000 1.017 418 F CA 0.135 58.060 58.000 -0.125 0.000 0.882 418 F CB -1.291 37.697 39.000 -0.020 0.000 0.795 418 F HN 0.016 nan 8.300 nan 0.000 0.848 419 P HA 0.144 nan 4.420 nan 0.000 0.275 419 P C -0.320 177.083 177.300 0.172 0.000 1.228 419 P CA 0.078 63.248 63.100 0.118 0.000 0.786 419 P CB 1.430 33.280 31.700 0.251 0.000 0.927 420 Q N 1.330 121.277 119.800 0.245 0.000 2.416 420 Q HA 0.592 4.933 4.340 0.000 0.000 0.281 420 Q C 0.019 176.245 176.000 0.377 0.000 1.067 420 Q CA -0.687 55.285 55.803 0.283 0.000 0.809 420 Q CB 2.790 31.693 28.738 0.274 0.000 1.418 420 Q HN 0.570 nan 8.270 nan 0.000 0.411 421 I N -2.025 118.742 120.570 0.328 0.000 3.322 421 I HA 0.570 4.740 4.170 0.000 0.000 0.313 421 I C 0.041 176.277 176.117 0.198 0.000 1.129 421 I CA -1.089 60.376 61.300 0.274 0.000 0.963 421 I CB 1.618 39.712 38.000 0.156 0.000 1.273 421 I HN 0.291 nan 8.210 nan 0.000 0.473 422 N N 1.491 120.167 118.700 -0.039 0.000 2.671 422 N HA -0.001 4.740 4.740 0.000 0.000 0.274 422 N C 0.139 175.807 175.510 0.263 0.000 1.188 422 N CA 0.276 53.288 53.050 -0.063 0.000 1.065 422 N CB -0.486 37.799 38.487 -0.335 0.000 1.415 422 N HN 0.785 nan 8.380 nan 0.000 0.511 423 Y N 2.516 122.935 120.300 0.198 0.000 2.200 423 Y HA -0.139 4.411 4.550 0.000 0.000 0.290 423 Y C 1.963 177.960 175.900 0.161 0.000 1.137 423 Y CA 1.659 59.859 58.100 0.168 0.000 1.163 423 Y CB 0.236 38.796 38.460 0.167 0.000 0.988 423 Y HN 0.510 nan 8.280 nan 0.000 0.518 424 Q N -0.075 119.892 119.800 0.278 0.000 2.135 424 Q HA -0.256 4.084 4.340 0.000 0.000 0.204 424 Q C 2.030 178.043 176.000 0.021 0.000 0.981 424 Q CA 2.055 57.955 55.803 0.160 0.000 0.856 424 Q CB -0.106 28.764 28.738 0.220 0.000 0.902 424 Q HN 0.408 nan 8.270 nan 0.000 0.425 425 K N -1.204 119.228 120.400 0.053 0.000 2.348 425 K HA 0.006 4.326 4.320 0.000 0.000 0.194 425 K C 0.620 176.990 176.600 -0.382 0.000 1.052 425 K CA 0.294 56.500 56.287 -0.135 0.000 1.004 425 K CB 0.529 32.973 32.500 -0.094 0.000 0.873 425 K HN 0.095 nan 8.250 nan 0.000 0.523 426 Y N -0.563 119.687 120.300 -0.082 0.000 2.471 426 Y HA 0.328 4.878 4.550 0.000 0.000 0.249 426 Y C 0.833 176.616 175.900 -0.195 0.000 1.116 426 Y CA -0.555 57.483 58.100 -0.103 0.000 1.240 426 Y CB 1.096 39.534 38.460 -0.037 0.000 1.251 426 Y HN -0.018 nan 8.280 nan 0.000 0.527 427 G N 0.205 108.877 108.800 -0.214 0.000 2.313 427 G HA2 0.356 4.316 3.960 0.000 0.000 0.250 427 G HA3 0.356 4.316 3.960 0.000 0.000 0.250 427 G C 1.076 175.800 174.900 -0.293 0.000 1.281 427 G CA 0.541 45.406 45.100 -0.392 0.000 0.917 427 G HN 0.616 nan 8.290 nan 0.000 0.501 428 G N 1.318 110.009 108.800 -0.181 0.000 2.157 428 G HA2 -0.233 3.727 3.960 0.000 0.000 0.248 428 G HA3 -0.233 3.727 3.960 0.000 0.000 0.248 428 G C 0.354 175.252 174.900 -0.004 0.000 0.979 428 G CA 0.785 45.820 45.100 -0.108 0.000 0.650 428 G HN 0.864 nan 8.290 nan 0.000 0.529 429 K N 0.022 120.416 120.400 -0.010 0.000 2.444 429 K HA 0.573 4.893 4.320 0.000 0.000 0.252 429 K C -2.873 173.623 176.600 -0.174 0.000 0.993 429 K CA -2.455 53.816 56.287 -0.026 0.000 0.847 429 K CB 2.314 34.750 32.500 -0.108 0.000 1.340 429 K HN -0.119 nan 8.250 nan 0.000 0.446 430 P HA -0.076 nan 4.420 nan 0.000 0.264 430 P C -1.469 175.679 177.300 -0.254 0.000 1.183 430 P CA 0.471 63.000 63.100 -0.951 0.000 0.763 430 P CB 0.012 31.425 31.700 -0.478 0.000 0.807 431 Y N -1.211 118.790 120.300 -0.500 0.000 2.670 431 Y HA 0.619 5.169 4.550 0.000 0.000 0.334 431 Y C 0.128 175.845 175.900 -0.306 0.000 1.185 431 Y CA -0.844 57.116 58.100 -0.234 0.000 1.053 431 Y CB 0.620 39.013 38.460 -0.112 0.000 1.298 431 Y HN 0.152 nan 8.280 nan 0.000 0.459 432 T N -0.665 113.490 114.554 -0.665 0.000 2.964 432 T HA 0.251 4.602 4.350 0.000 0.000 0.250 432 T C -1.174 172.933 174.700 -0.989 0.000 0.982 432 T CA 0.331 61.858 62.100 -0.956 0.000 0.959 432 T CB 0.045 68.236 68.868 -1.128 0.000 1.141 432 T HN 0.514 nan 8.240 nan 0.000 0.494 433 Y N 0.995 121.111 120.300 -0.307 0.000 2.425 433 Y HA 0.764 5.314 4.550 0.000 0.000 0.344 433 Y C -0.176 175.613 175.900 -0.185 0.000 0.969 433 Y CA -1.845 56.078 58.100 -0.294 0.000 1.052 433 Y CB 1.525 39.740 38.460 -0.409 0.000 1.215 433 Y HN 0.079 nan 8.280 nan 0.000 0.451 434 A N 2.280 125.060 122.820 -0.066 0.000 2.401 434 A HA 0.863 5.184 4.320 0.000 0.000 0.310 434 A C -2.043 175.443 177.584 -0.163 0.000 1.075 434 A CA -0.777 51.272 52.037 0.020 0.000 0.746 434 A CB 0.876 20.067 19.000 0.318 0.000 1.277 434 A HN 0.667 nan 8.150 nan 0.000 0.425 435 Y N 0.174 120.671 120.300 0.328 0.000 2.446 435 Y HA 0.709 5.259 4.550 0.000 0.000 0.338 435 Y C 0.885 176.767 175.900 -0.029 0.000 1.055 435 Y CA -0.154 58.068 58.100 0.204 0.000 1.101 435 Y CB 2.525 41.057 38.460 0.120 0.000 1.221 435 Y HN 0.966 nan 8.280 nan 0.000 0.460 436 G N 1.037 109.713 108.800 -0.205 0.000 2.692 436 G HA2 0.495 4.456 3.960 0.000 0.000 0.291 436 G HA3 0.495 4.456 3.960 0.000 0.000 0.291 436 G C -2.462 172.252 174.900 -0.311 0.000 1.423 436 G CA -0.929 43.762 45.100 -0.681 0.000 0.843 436 G HN 0.471 nan 8.290 nan 0.000 0.486 437 L N 1.552 122.675 121.223 -0.167 0.000 2.281 437 L HA 0.695 5.035 4.340 0.000 0.000 0.285 437 L C 0.825 177.714 176.870 0.032 0.000 1.074 437 L CA -0.437 54.397 54.840 -0.009 0.000 0.817 437 L CB 0.841 42.933 42.059 0.055 0.000 1.168 437 L HN 0.635 nan 8.230 nan 0.000 0.434 438 G N 6.631 115.477 108.800 0.078 0.000 2.333 438 G HA2 0.477 4.437 3.960 0.000 0.000 0.290 438 G HA3 0.477 4.437 3.960 0.000 0.000 0.290 438 G C -0.736 174.291 174.900 0.212 0.000 1.150 438 G CA -0.556 44.633 45.100 0.147 0.000 0.895 438 G HN 0.606 nan 8.290 nan 0.000 0.444 439 L N 2.802 124.180 121.223 0.258 0.000 2.272 439 L HA 0.316 4.656 4.340 0.000 0.000 0.289 439 L C -0.096 176.930 176.870 0.260 0.000 1.032 439 L CA -1.078 53.942 54.840 0.300 0.000 0.810 439 L CB 1.595 43.899 42.059 0.409 0.000 1.205 439 L HN 0.387 nan 8.230 nan 0.000 0.422 440 N N 2.666 121.557 118.700 0.317 0.000 2.527 440 N HA 0.143 4.883 4.740 0.000 0.000 0.236 440 N C -0.270 175.551 175.510 0.519 0.000 0.999 440 N CA -0.407 52.893 53.050 0.417 0.000 0.935 440 N CB -0.045 38.765 38.487 0.539 0.000 1.132 440 N HN 0.539 nan 8.380 nan 0.000 0.511 441 H N 3.803 122.918 119.070 0.074 0.000 2.626 441 H HA -0.226 4.330 4.556 0.000 0.000 0.317 441 H C 0.001 175.331 175.328 0.004 0.000 1.140 441 H CA 1.098 57.078 56.048 -0.112 0.000 1.134 441 H CB -1.865 27.846 29.762 -0.084 0.000 1.486 441 H HN 0.614 nan 8.280 nan 0.000 0.417 442 F N -4.979 115.155 119.950 0.306 0.000 2.656 442 F HA -0.279 4.248 4.527 0.000 0.000 0.381 442 F C 0.444 176.391 175.800 0.245 0.000 0.603 442 F CA 0.703 58.861 58.000 0.263 0.000 1.335 442 F CB -1.537 37.556 39.000 0.155 0.000 1.836 442 F HN 0.158 nan 8.300 nan 0.000 0.290 443 V N 3.147 123.283 119.914 0.370 0.000 2.406 443 V HA 0.336 4.456 4.120 0.000 0.000 0.272 443 V C -1.708 174.535 176.094 0.249 0.000 1.043 443 V CA -1.563 60.878 62.300 0.236 0.000 0.915 443 V CB 1.291 33.160 31.823 0.078 0.000 0.988 443 V HN -0.188 nan 8.190 nan 0.000 0.466 444 P HA 0.199 nan 4.420 nan 0.000 0.276 444 P C -0.522 176.909 177.300 0.220 0.000 1.264 444 P CA 0.118 63.338 63.100 0.200 0.000 0.769 444 P CB 0.800 32.570 31.700 0.117 0.000 0.840 445 D N 3.419 123.929 120.400 0.184 0.000 2.562 445 D HA 0.062 4.702 4.640 0.000 0.000 0.246 445 D C 0.319 176.681 176.300 0.102 0.000 1.347 445 D CA -0.168 53.895 54.000 0.106 0.000 0.800 445 D CB 0.545 41.440 40.800 0.157 0.000 1.111 445 D HN 0.451 nan 8.370 nan 0.000 0.508 446 R N -0.773 119.818 120.500 0.152 0.000 2.712 446 R HA 0.597 4.937 4.340 0.000 0.000 0.272 446 R C -1.816 174.612 176.300 0.214 0.000 1.032 446 R CA -0.956 55.258 56.100 0.189 0.000 0.874 446 R CB 0.576 30.965 30.300 0.148 0.000 1.256 446 R HN -0.058 nan 8.270 nan 0.000 0.468 447 L N 0.855 122.256 121.223 0.297 0.000 2.342 447 L HA 0.719 5.059 4.340 0.000 0.000 0.271 447 L C -0.762 176.246 176.870 0.230 0.000 1.008 447 L CA -0.893 54.074 54.840 0.212 0.000 0.818 447 L CB 2.180 44.352 42.059 0.188 0.000 1.296 447 L HN 0.687 nan 8.230 nan 0.000 0.427 448 C N 1.336 120.743 119.300 0.177 0.000 2.802 448 C HA 0.597 5.057 4.460 0.000 0.000 0.307 448 C C -0.329 174.872 174.990 0.352 0.000 1.222 448 C CA -1.116 58.058 59.018 0.260 0.000 1.580 448 C CB 1.970 29.856 27.740 0.244 0.000 2.119 448 C HN 0.729 nan 8.230 nan 0.000 0.479 449 K N 1.307 121.948 120.400 0.402 0.000 2.378 449 K HA 0.801 5.121 4.320 0.000 0.000 0.252 449 K C -1.951 174.883 176.600 0.391 0.000 0.931 449 K CA -0.503 55.975 56.287 0.318 0.000 0.794 449 K CB 1.625 34.223 32.500 0.164 0.000 1.181 449 K HN 0.633 nan 8.250 nan 0.000 0.425 450 L N 3.876 125.217 121.223 0.196 0.000 2.381 450 L HA 0.414 4.754 4.340 0.000 0.000 0.274 450 L C -1.164 175.792 176.870 0.144 0.000 0.988 450 L CA -0.442 54.439 54.840 0.069 0.000 0.824 450 L CB 1.618 43.458 42.059 -0.365 0.000 1.263 450 L HN 0.653 nan 8.230 nan 0.000 0.410 451 N N 3.735 122.584 118.700 0.248 0.000 2.402 451 N HA 0.065 4.806 4.740 0.000 0.000 0.252 451 N C 0.975 176.412 175.510 -0.122 0.000 1.118 451 N CA 0.149 53.255 53.050 0.093 0.000 0.945 451 N CB 1.410 40.029 38.487 0.219 0.000 1.147 451 N HN 0.648 nan 8.380 nan 0.000 0.495 452 V N 1.959 121.711 119.914 -0.270 0.000 3.141 452 V HA -0.017 4.103 4.120 0.000 0.000 0.265 452 V C 1.614 177.567 176.094 -0.236 0.000 1.126 452 V CA 1.111 63.248 62.300 -0.273 0.000 1.141 452 V CB -0.451 31.144 31.823 -0.380 0.000 0.743 452 V HN 0.472 nan 8.190 nan 0.000 0.492 453 K N 1.502 121.755 120.400 -0.245 0.000 2.099 453 K HA 0.034 4.355 4.320 0.000 0.000 0.203 453 K C 2.262 178.785 176.600 -0.128 0.000 1.047 453 K CA 1.517 57.696 56.287 -0.181 0.000 0.963 453 K CB -0.211 32.172 32.500 -0.194 0.000 0.759 453 K HN 0.681 nan 8.250 nan 0.000 0.451 454 T N -1.702 112.784 114.554 -0.112 0.000 3.037 454 T HA 0.162 4.512 4.350 0.000 0.000 0.251 454 T C 0.577 175.223 174.700 -0.089 0.000 1.079 454 T CA -0.040 62.008 62.100 -0.086 0.000 1.067 454 T CB 0.061 68.892 68.868 -0.062 0.000 0.948 454 T HN 0.135 nan 8.240 nan 0.000 0.496 455 K N 0.558 120.903 120.400 -0.092 0.000 3.500 455 K HA -0.188 4.132 4.320 0.000 0.000 0.313 455 K C 0.130 176.678 176.600 -0.086 0.000 1.338 455 K CA 0.960 57.198 56.287 -0.082 0.000 0.963 455 K CB -1.764 30.688 32.500 -0.081 0.000 1.267 455 K HN 0.761 nan 8.250 nan 0.000 0.448 456 E N 2.039 122.164 120.200 -0.125 0.000 2.452 456 E HA 0.043 4.393 4.350 0.000 0.000 0.261 456 E C -0.000 176.429 176.600 -0.284 0.000 0.987 456 E CA 0.753 56.993 56.400 -0.268 0.000 0.926 456 E CB 0.612 30.072 29.700 -0.401 0.000 0.934 456 E HN 0.243 nan 8.360 nan 0.000 0.452 457 T N 1.482 115.830 114.554 -0.343 0.000 2.924 457 T HA 0.541 4.891 4.350 0.000 0.000 0.291 457 T C -0.673 173.851 174.700 -0.293 0.000 1.045 457 T CA -0.978 61.049 62.100 -0.121 0.000 1.015 457 T CB 0.864 69.766 68.868 0.058 0.000 1.103 457 T HN 0.462 nan 8.240 nan 0.000 0.496 458 W N 0.484 121.832 121.300 0.079 0.000 2.844 458 W HA 0.666 5.326 4.660 0.000 0.000 0.340 458 W C -1.389 175.206 176.519 0.126 0.000 1.093 458 W CA -1.021 56.381 57.345 0.094 0.000 1.212 458 W CB 2.484 32.000 29.460 0.094 0.000 1.422 458 W HN 0.545 nan 8.180 nan 0.000 0.515 459 V N 1.206 121.330 119.914 0.349 0.000 2.760 459 V HA 0.339 4.460 4.120 0.000 0.000 0.309 459 V C -1.457 174.812 176.094 0.292 0.000 1.077 459 V CA -0.711 61.755 62.300 0.278 0.000 0.910 459 V CB 2.580 34.510 31.823 0.178 0.000 1.008 459 V HN 0.579 nan 8.190 nan 0.000 0.424 460 W N 5.453 126.821 121.300 0.114 0.000 2.529 460 W HA 0.736 5.396 4.660 0.000 0.000 0.321 460 W C -0.393 176.158 176.519 0.054 0.000 1.047 460 W CA -0.049 57.341 57.345 0.076 0.000 1.216 460 W CB 1.359 30.854 29.460 0.058 0.000 1.357 460 W HN 0.702 nan 8.180 nan 0.000 0.489 461 Q N 3.811 123.122 119.800 -0.815 0.000 2.472 461 Q HA 0.509 4.849 4.340 0.000 0.000 0.281 461 Q C -1.646 173.711 176.000 -1.072 0.000 0.997 461 Q CA -1.031 54.269 55.803 -0.839 0.000 0.828 461 Q CB 2.686 31.250 28.738 -0.290 0.000 1.443 461 Q HN 0.535 nan 8.270 nan 0.000 0.390 462 E N 1.468 121.179 120.200 -0.815 0.000 2.292 462 E HA 0.413 4.763 4.350 0.000 0.000 0.272 462 E C -2.671 173.765 176.600 -0.273 0.000 0.881 462 E CA -2.077 54.037 56.400 -0.476 0.000 0.754 462 E CB 2.525 32.029 29.700 -0.326 0.000 1.201 462 E HN 0.470 nan 8.360 nan 0.000 0.425 463 P HA -0.015 nan 4.420 nan 0.000 0.264 463 P C -0.569 176.647 177.300 -0.141 0.000 1.183 463 P CA 0.443 63.461 63.100 -0.137 0.000 0.763 463 P CB 0.308 31.949 31.700 -0.098 0.000 0.807 464 D N -0.584 119.715 120.400 -0.168 0.000 3.041 464 D HA -0.122 4.518 4.640 0.000 0.000 0.220 464 D C -0.624 175.444 176.300 -0.387 0.000 1.157 464 D CA 1.173 55.063 54.000 -0.184 0.000 0.876 464 D CB -1.629 39.165 40.800 -0.009 0.000 1.107 464 D HN 0.292 nan 8.370 nan 0.000 0.422 465 S N -0.264 115.078 115.700 -0.597 0.000 2.502 465 S HA 0.575 5.045 4.470 0.000 0.000 0.304 465 S C -0.723 173.444 174.600 -0.721 0.000 1.097 465 S CA -0.580 57.360 58.200 -0.434 0.000 1.045 465 S CB 1.274 64.462 63.200 -0.019 0.000 1.019 465 S HN 0.102 nan 8.310 nan 0.000 0.481 466 Y N 3.209 123.479 120.300 -0.050 0.000 2.447 466 Y HA 0.400 4.950 4.550 0.000 0.000 0.325 466 Y C -2.363 173.466 175.900 -0.117 0.000 0.976 466 Y CA -2.233 55.816 58.100 -0.084 0.000 1.280 466 Y CB 1.075 39.460 38.460 -0.124 0.000 1.104 466 Y HN 0.426 nan 8.280 nan 0.000 0.486 467 P HA 0.309 nan 4.420 nan 0.000 0.281 467 P C -0.340 176.889 177.300 -0.118 0.000 1.281 467 P CA -0.562 62.490 63.100 -0.080 0.000 0.811 467 P CB 1.685 33.370 31.700 -0.024 0.000 1.154 468 S N -2.045 113.545 115.700 -0.183 0.000 2.704 468 S HA 0.282 4.752 4.470 0.000 0.000 0.305 468 S C -0.045 174.432 174.600 -0.206 0.000 1.107 468 S CA -0.818 57.240 58.200 -0.236 0.000 0.993 468 S CB 0.637 63.694 63.200 -0.238 0.000 1.110 468 S HN 0.545 nan 8.310 nan 0.000 0.534 469 E N 1.884 121.926 120.200 -0.263 0.000 2.708 469 E HA 0.009 4.359 4.350 0.000 0.000 0.260 469 E C -2.162 174.410 176.600 -0.046 0.000 0.937 469 E CA -0.877 55.460 56.400 -0.105 0.000 0.953 469 E CB 0.198 29.898 29.700 -0.000 0.000 0.915 469 E HN 0.407 nan 8.360 nan 0.000 0.487 470 P HA 0.250 nan 4.420 nan 0.000 0.290 470 P C -0.688 176.623 177.300 0.019 0.000 1.276 470 P CA -0.024 63.056 63.100 -0.033 0.000 0.808 470 P CB 0.743 32.432 31.700 -0.018 0.000 0.966 471 I N 3.528 124.085 120.570 -0.022 0.000 2.433 471 I HA 0.313 4.484 4.170 0.000 0.000 0.292 471 I C 0.111 176.196 176.117 -0.054 0.000 1.001 471 I CA -1.089 60.232 61.300 0.035 0.000 1.119 471 I CB 1.419 39.468 38.000 0.083 0.000 1.289 471 I HN 0.245 nan 8.210 nan 0.000 0.438 472 F N 7.740 127.614 119.950 -0.127 0.000 2.438 472 F HA 0.491 5.018 4.527 0.000 0.000 0.356 472 F C -0.502 175.227 175.800 -0.118 0.000 1.099 472 F CA -0.227 57.650 58.000 -0.206 0.000 1.185 472 F CB 0.779 39.683 39.000 -0.160 0.000 1.115 472 F HN 0.036 nan 8.300 nan 0.000 0.526 473 V N 5.574 124.916 119.914 -0.954 0.000 2.487 473 V HA 0.300 4.420 4.120 0.000 0.000 0.298 473 V C -0.116 175.451 176.094 -0.878 0.000 1.028 473 V CA -0.954 60.929 62.300 -0.694 0.000 0.860 473 V CB 1.334 32.743 31.823 -0.690 0.000 0.991 473 V HN 0.823 nan 8.190 nan 0.000 0.427 474 S N 3.259 118.713 115.700 -0.411 0.000 2.565 474 S HA 0.183 4.653 4.470 0.000 0.000 0.276 474 S C 0.064 174.438 174.600 -0.377 0.000 1.326 474 S CA -0.399 57.681 58.200 -0.199 0.000 1.045 474 S CB 0.213 63.509 63.200 0.161 0.000 0.918 474 S HN 0.825 nan 8.310 nan 0.000 0.505 475 H N 5.369 124.031 119.070 -0.681 0.000 2.848 475 H HA 0.160 4.716 4.556 0.000 0.000 0.341 475 H C -1.487 173.423 175.328 -0.696 0.000 1.060 475 H CA -1.245 54.025 56.048 -1.296 0.000 1.444 475 H CB 1.254 30.459 29.762 -0.929 0.000 1.446 475 H HN 0.521 nan 8.280 nan 0.000 0.583 476 P HA -0.131 nan 4.420 nan 0.000 0.218 476 P C 0.179 177.465 177.300 -0.023 0.000 1.148 476 P CA 1.153 64.132 63.100 -0.201 0.000 0.822 476 P CB 0.426 32.007 31.700 -0.199 0.000 0.784 477 D N -0.400 120.085 120.400 0.142 0.000 2.460 477 D HA 0.236 4.876 4.640 0.000 0.000 0.229 477 D C 0.509 176.761 176.300 -0.079 0.000 1.170 477 D CA -0.186 53.825 54.000 0.017 0.000 0.827 477 D CB -0.354 40.438 40.800 -0.013 0.000 0.973 477 D HN 0.091 nan 8.370 nan 0.000 0.496 478 A N 0.598 123.389 122.820 -0.050 0.000 2.548 478 A HA 0.101 4.421 4.320 0.000 0.000 0.247 478 A C 1.225 178.802 177.584 -0.013 0.000 1.067 478 A CA 0.115 52.122 52.037 -0.049 0.000 0.757 478 A CB 0.171 19.194 19.000 0.038 0.000 0.996 478 A HN 0.303 nan 8.150 nan 0.000 0.504 479 L N 1.034 122.242 121.223 -0.026 0.000 2.357 479 L HA 0.140 4.480 4.340 0.000 0.000 0.211 479 L C 0.704 177.605 176.870 0.052 0.000 1.075 479 L CA 0.453 55.297 54.840 0.006 0.000 0.830 479 L CB -0.149 41.900 42.059 -0.017 0.000 0.996 479 L HN 0.599 nan 8.230 nan 0.000 0.467 480 E N -0.196 120.035 120.200 0.052 0.000 2.249 480 E HA 0.073 4.423 4.350 0.000 0.000 0.263 480 E C 0.202 176.865 176.600 0.105 0.000 0.950 480 E CA -0.309 56.139 56.400 0.080 0.000 0.827 480 E CB 1.624 31.353 29.700 0.048 0.000 1.220 480 E HN 0.024 nan 8.360 nan 0.000 0.411 481 E N 0.876 121.114 120.200 0.064 0.000 2.160 481 E HA -0.216 4.134 4.350 0.000 0.000 0.195 481 E C 0.219 176.758 176.600 -0.102 0.000 0.991 481 E CA 1.605 57.913 56.400 -0.153 0.000 0.810 481 E CB 0.236 29.637 29.700 -0.499 0.000 0.742 481 E HN 0.410 nan 8.360 nan 0.000 0.466 482 D N -0.182 120.199 120.400 -0.032 0.000 2.463 482 D HA 0.032 4.672 4.640 0.000 0.000 0.224 482 D C -0.739 175.624 176.300 0.106 0.000 1.174 482 D CA -0.278 53.698 54.000 -0.041 0.000 0.829 482 D CB -0.132 40.391 40.800 -0.463 0.000 0.993 482 D HN -0.104 nan 8.370 nan 0.000 0.497 483 D N 0.832 121.318 120.400 0.144 0.000 2.374 483 D HA 0.537 5.177 4.640 0.000 0.000 0.240 483 D C 0.853 177.229 176.300 0.127 0.000 1.229 483 D CA 0.409 54.456 54.000 0.078 0.000 0.895 483 D CB 0.862 41.657 40.800 -0.009 0.000 1.046 483 D HN 0.393 nan 8.370 nan 0.000 0.498 484 G N -0.099 108.734 108.800 0.056 0.000 2.368 484 G HA2 0.361 4.321 3.960 0.000 0.000 0.269 484 G HA3 0.361 4.321 3.960 0.000 0.000 0.269 484 G C -1.214 173.608 174.900 -0.130 0.000 1.291 484 G CA -0.129 44.906 45.100 -0.108 0.000 0.903 484 G HN 0.539 nan 8.290 nan 0.000 0.483 485 V N -2.018 117.677 119.914 -0.363 0.000 3.102 485 V HA 0.935 5.055 4.120 0.000 0.000 0.312 485 V C 0.142 175.920 176.094 -0.526 0.000 1.135 485 V CA -0.415 61.671 62.300 -0.358 0.000 1.022 485 V CB 1.284 32.903 31.823 -0.340 0.000 1.056 485 V HN 2.080 nan 8.190 nan 0.000 0.436 486 V N 0.817 120.484 119.914 -0.412 0.000 2.628 486 V HA 0.772 4.892 4.120 0.000 0.000 0.306 486 V C -0.534 175.350 176.094 -0.350 0.000 1.045 486 V CA -0.713 61.354 62.300 -0.387 0.000 0.905 486 V CB 1.279 32.882 31.823 -0.366 0.000 0.997 486 V HN 0.892 nan 8.190 nan 0.000 0.436 487 L N 3.690 124.724 121.223 -0.315 0.000 2.329 487 L HA 0.834 5.175 4.340 0.000 0.000 0.279 487 L C 0.165 176.897 176.870 -0.229 0.000 1.014 487 L CA -0.255 54.413 54.840 -0.286 0.000 0.814 487 L CB 1.756 43.657 42.059 -0.264 0.000 1.257 487 L HN 0.879 nan 8.230 nan 0.000 0.424 488 S N 1.538 117.074 115.700 -0.273 0.000 2.546 488 S HA 0.681 5.151 4.470 0.000 0.000 0.274 488 S C -0.990 173.407 174.600 -0.339 0.000 1.121 488 S CA -0.518 57.522 58.200 -0.266 0.000 0.887 488 S CB 1.982 65.017 63.200 -0.275 0.000 1.094 488 S HN 0.260 nan 8.310 nan 0.000 0.474 489 V N 4.115 123.840 119.914 -0.314 0.000 2.407 489 V HA 0.563 4.683 4.120 0.000 0.000 0.278 489 V C -0.403 175.463 176.094 -0.380 0.000 1.037 489 V CA -0.461 61.619 62.300 -0.367 0.000 0.900 489 V CB 1.297 32.971 31.823 -0.249 0.000 0.983 489 V HN 0.695 nan 8.190 nan 0.000 0.459 490 V N 5.485 125.073 119.914 -0.542 0.000 2.540 490 V HA 0.466 4.586 4.120 0.000 0.000 0.302 490 V C -0.158 175.643 176.094 -0.490 0.000 1.035 490 V CA -0.698 61.247 62.300 -0.592 0.000 0.873 490 V CB 2.034 33.247 31.823 -1.017 0.000 0.992 490 V HN 0.590 nan 8.190 nan 0.000 0.428 491 V N 3.978 123.755 119.914 -0.227 0.000 2.439 491 V HA 0.570 4.690 4.120 0.000 0.000 0.282 491 V C 0.393 176.500 176.094 0.022 0.000 1.039 491 V CA -0.080 62.166 62.300 -0.092 0.000 0.913 491 V CB 1.746 33.538 31.823 -0.052 0.000 0.983 491 V HN 1.054 nan 8.190 nan 0.000 0.460 492 S N 4.260 119.996 115.700 0.059 0.000 2.359 492 S HA 0.401 4.872 4.470 0.000 0.000 0.148 492 S C -2.604 172.058 174.600 0.104 0.000 1.610 492 S CA -1.080 57.192 58.200 0.120 0.000 1.274 492 S CB 1.052 64.402 63.200 0.249 0.000 1.380 492 S HN 0.549 nan 8.310 nan 0.000 0.380 493 P HA 0.716 nan 4.420 nan 0.000 0.278 493 P C 0.363 177.692 177.300 0.048 0.000 1.238 493 P CA 0.209 63.341 63.100 0.053 0.000 0.794 493 P CB 1.273 32.987 31.700 0.024 0.000 0.955 494 G N 0.001 108.820 108.800 0.031 0.000 2.347 494 G HA2 0.427 4.388 3.960 0.000 0.000 0.303 494 G HA3 0.427 4.388 3.960 0.000 0.000 0.303 494 G C -1.273 173.637 174.900 0.016 0.000 1.481 494 G CA -0.276 44.838 45.100 0.024 0.000 0.914 494 G HN 0.457 nan 8.290 nan 0.000 0.638 495 A N -0.224 122.602 122.820 0.010 0.000 2.566 495 A HA 0.558 4.878 4.320 0.000 0.000 0.245 495 A C 1.858 179.445 177.584 0.005 0.000 1.056 495 A CA 1.805 53.846 52.037 0.006 0.000 0.757 495 A CB -0.346 18.656 19.000 0.003 0.000 0.979 495 A HN 2.869 nan 8.150 nan 0.000 0.508 496 G N 1.773 110.574 108.800 0.003 0.000 2.233 496 G HA2 -0.236 3.724 3.960 0.000 0.000 0.270 496 G HA3 -0.236 3.724 3.960 0.000 0.000 0.270 496 G C 0.143 175.042 174.900 -0.001 0.000 1.011 496 G CA 0.823 45.922 45.100 -0.002 0.000 0.762 496 G HN 0.961 nan 8.290 nan 0.000 0.511 497 Q N -0.432 119.374 119.800 0.010 0.000 2.257 497 Q HA 0.418 4.758 4.340 0.000 0.000 0.262 497 Q C 0.007 176.025 176.000 0.029 0.000 0.997 497 Q CA -1.000 54.814 55.803 0.019 0.000 0.873 497 Q CB 1.372 30.131 28.738 0.036 0.000 1.312 497 Q HN 0.075 nan 8.270 nan 0.000 0.450 498 K N 2.738 123.160 120.400 0.037 0.000 2.412 498 K HA 0.066 4.386 4.320 0.000 0.000 0.281 498 K C -1.652 175.003 176.600 0.091 0.000 1.027 498 K CA -1.454 54.867 56.287 0.057 0.000 0.989 498 K CB 0.378 32.918 32.500 0.067 0.000 0.935 498 K HN 0.382 nan 8.250 nan 0.000 0.475 499 P HA -0.079 nan 4.420 nan 0.000 0.226 499 P C -0.359 176.976 177.300 0.059 0.000 1.153 499 P CA 0.811 63.945 63.100 0.058 0.000 0.777 499 P CB 0.489 32.210 31.700 0.035 0.000 0.794 500 A N -0.932 121.939 122.820 0.085 0.000 2.586 500 A HA 0.656 4.976 4.320 0.000 0.000 0.291 500 A C -1.873 175.788 177.584 0.128 0.000 1.062 500 A CA -0.712 51.337 52.037 0.020 0.000 0.666 500 A CB 0.658 19.615 19.000 -0.072 0.000 1.281 500 A HN 0.121 nan 8.150 nan 0.000 0.421 501 Y N -1.473 118.779 120.300 -0.081 0.000 2.592 501 Y HA 0.702 5.252 4.550 0.000 0.000 0.334 501 Y C -1.255 174.494 175.900 -0.251 0.000 1.136 501 Y CA -1.212 56.821 58.100 -0.113 0.000 1.042 501 Y CB 1.026 39.439 38.460 -0.078 0.000 1.325 501 Y HN 0.831 nan 8.280 nan 0.000 0.457 502 L N 3.511 124.591 121.223 -0.239 0.000 2.319 502 L HA 0.542 4.882 4.340 0.000 0.000 0.280 502 L C -1.030 175.741 176.870 -0.165 0.000 1.099 502 L CA -0.464 54.066 54.840 -0.517 0.000 0.828 502 L CB 0.771 42.269 42.059 -0.936 0.000 1.150 502 L HN 0.740 nan 8.230 nan 0.000 0.442 503 L N 6.745 127.836 121.223 -0.221 0.000 2.295 503 L HA 0.583 4.923 4.340 0.000 0.000 0.285 503 L C -0.791 175.907 176.870 -0.287 0.000 1.035 503 L CA -0.060 54.663 54.840 -0.195 0.000 0.806 503 L CB 1.171 43.034 42.059 -0.327 0.000 1.214 503 L HN 0.502 nan 8.230 nan 0.000 0.426 504 I N 6.464 126.875 120.570 -0.266 0.000 2.362 504 I HA 0.357 4.527 4.170 0.000 0.000 0.289 504 I C -0.758 175.180 176.117 -0.297 0.000 0.994 504 I CA -0.571 60.550 61.300 -0.297 0.000 1.158 504 I CB 1.363 39.192 38.000 -0.285 0.000 1.315 504 I HN 0.468 nan 8.210 nan 0.000 0.451 505 L N 5.115 126.150 121.223 -0.313 0.000 2.334 505 L HA 0.439 4.779 4.340 0.000 0.000 0.273 505 L C 0.360 177.111 176.870 -0.198 0.000 1.013 505 L CA -0.876 53.810 54.840 -0.256 0.000 0.816 505 L CB 1.540 43.434 42.059 -0.275 0.000 1.278 505 L HN 0.542 nan 8.230 nan 0.000 0.431 506 N N 1.297 119.919 118.700 -0.130 0.000 2.440 506 N HA 0.029 4.770 4.740 0.000 0.000 0.265 506 N C 0.643 176.085 175.510 -0.112 0.000 1.239 506 N CA 0.313 53.304 53.050 -0.098 0.000 0.909 506 N CB 1.773 40.225 38.487 -0.058 0.000 1.066 506 N HN 0.796 nan 8.380 nan 0.000 0.474 507 A N 5.343 128.101 122.820 -0.104 0.000 2.067 507 A HA -0.106 4.214 4.320 0.000 0.000 0.219 507 A C 2.054 179.555 177.584 -0.137 0.000 1.158 507 A CA 0.949 52.949 52.037 -0.061 0.000 0.661 507 A CB -0.115 18.950 19.000 0.108 0.000 0.801 507 A HN 0.656 nan 8.150 nan 0.000 0.452 508 K N 0.301 120.594 120.400 -0.179 0.000 2.032 508 K HA -0.163 4.157 4.320 0.000 0.000 0.209 508 K C 0.552 176.851 176.600 -0.501 0.000 1.048 508 K CA 1.810 57.915 56.287 -0.304 0.000 0.927 508 K CB -0.190 32.209 32.500 -0.168 0.000 0.712 508 K HN 0.795 nan 8.250 nan 0.000 0.441 509 D N -1.719 118.472 120.400 -0.349 0.000 2.530 509 D HA 0.035 4.675 4.640 0.000 0.000 0.253 509 D C 0.468 176.700 176.300 -0.112 0.000 1.338 509 D CA -0.230 53.563 54.000 -0.346 0.000 0.806 509 D CB -0.476 40.304 40.800 -0.034 0.000 1.160 509 D HN 0.071 nan 8.370 nan 0.000 0.514 510 L N 0.847 122.015 121.223 -0.091 0.000 3.976 510 L HA -0.228 4.112 4.340 0.000 0.000 0.418 510 L C 0.047 176.992 176.870 0.124 0.000 1.177 510 L CA 0.732 55.598 54.840 0.044 0.000 0.968 510 L CB -2.422 39.739 42.059 0.171 0.000 1.933 510 L HN 0.296 nan 8.230 nan 0.000 0.976 511 S N -0.891 114.858 115.700 0.082 0.000 2.576 511 S HA 0.340 4.810 4.470 0.000 0.000 0.276 511 S C 0.142 174.765 174.600 0.038 0.000 1.339 511 S CA -0.638 57.627 58.200 0.107 0.000 1.039 511 S CB 2.081 65.325 63.200 0.073 0.000 0.902 511 S HN 0.333 nan 8.310 nan 0.000 0.516 512 E N 0.880 121.124 120.200 0.074 0.000 2.338 512 E HA 0.265 4.615 4.350 0.000 0.000 0.272 512 E C -0.107 176.467 176.600 -0.043 0.000 1.029 512 E CA -0.582 55.808 56.400 -0.016 0.000 0.872 512 E CB 0.769 30.516 29.700 0.078 0.000 1.015 512 E HN 0.508 nan 8.360 nan 0.000 0.417 513 V N 3.164 123.018 119.914 -0.101 0.000 2.908 513 V HA 0.393 4.513 4.120 0.000 0.000 0.240 513 V C 0.199 176.224 176.094 -0.115 0.000 1.117 513 V CA 0.935 63.173 62.300 -0.104 0.000 1.133 513 V CB 0.559 32.297 31.823 -0.140 0.000 0.857 513 V HN 0.782 nan 8.190 nan 0.000 0.478 514 A N -0.175 122.564 122.820 -0.136 0.000 2.586 514 A HA 0.815 5.135 4.320 0.000 0.000 0.291 514 A C -1.170 176.335 177.584 -0.132 0.000 1.062 514 A CA -0.712 51.246 52.037 -0.132 0.000 0.666 514 A CB 1.323 20.238 19.000 -0.142 0.000 1.281 514 A HN 0.204 nan 8.150 nan 0.000 0.421 515 R N -0.479 119.945 120.500 -0.126 0.000 2.795 515 R HA 0.777 5.117 4.340 0.000 0.000 0.275 515 R C -0.714 175.537 176.300 -0.082 0.000 0.981 515 R CA -0.494 55.545 56.100 -0.102 0.000 0.917 515 R CB 2.498 32.673 30.300 -0.208 0.000 1.202 515 R HN 1.164 nan 8.270 nan 0.000 0.469 516 A N 2.069 124.871 122.820 -0.029 0.000 2.360 516 A HA 0.342 4.663 4.320 0.000 0.000 0.309 516 A C -0.763 176.872 177.584 0.084 0.000 1.311 516 A CA -0.690 51.349 52.037 0.003 0.000 0.805 516 A CB 0.517 19.523 19.000 0.009 0.000 1.144 516 A HN 0.725 nan 8.150 nan 0.000 0.486 517 E N 0.964 121.227 120.200 0.104 0.000 2.266 517 E HA 0.504 4.854 4.350 0.000 0.000 0.277 517 E C -0.077 176.608 176.600 0.143 0.000 1.018 517 E CA -0.704 55.785 56.400 0.148 0.000 0.840 517 E CB 2.088 31.867 29.700 0.131 0.000 1.082 517 E HN 0.605 nan 8.360 nan 0.000 0.395 518 V N -0.772 119.210 119.914 0.115 0.000 3.046 518 V HA 0.367 4.487 4.120 0.000 0.000 0.316 518 V C 0.268 176.400 176.094 0.064 0.000 1.104 518 V CA -0.795 61.554 62.300 0.081 0.000 1.006 518 V CB 2.005 33.841 31.823 0.022 0.000 1.058 518 V HN 0.646 nan 8.190 nan 0.000 0.440 519 E N 1.460 121.696 120.200 0.059 0.000 2.476 519 E HA 0.317 4.667 4.350 0.000 0.000 0.196 519 E C 0.131 176.759 176.600 0.047 0.000 1.029 519 E CA 0.276 56.703 56.400 0.046 0.000 0.896 519 E CB 0.605 30.328 29.700 0.037 0.000 1.012 519 E HN 0.827 nan 8.360 nan 0.000 0.475 520 I N -2.215 118.387 120.570 0.054 0.000 2.846 520 I HA 0.449 4.619 4.170 0.000 0.000 0.307 520 I C -0.014 176.129 176.117 0.043 0.000 1.053 520 I CA -1.360 59.977 61.300 0.061 0.000 1.050 520 I CB 1.554 39.613 38.000 0.098 0.000 1.239 520 I HN -0.352 nan 8.210 nan 0.000 0.439 521 N N 3.150 121.878 118.700 0.046 0.000 2.453 521 N HA 0.395 5.135 4.740 0.000 0.000 0.253 521 N C -1.119 174.415 175.510 0.040 0.000 1.252 521 N CA 0.195 53.262 53.050 0.029 0.000 0.917 521 N CB 0.543 39.050 38.487 0.033 0.000 1.117 521 N HN 0.620 nan 8.380 nan 0.000 0.442 522 I N 2.770 123.338 120.570 -0.002 0.000 2.468 522 I HA 0.327 4.497 4.170 0.000 0.000 0.285 522 I C -2.232 173.863 176.117 -0.037 0.000 1.039 522 I CA -1.997 59.308 61.300 0.009 0.000 1.074 522 I CB 2.209 40.153 38.000 -0.093 0.000 1.228 522 I HN 0.454 nan 8.210 nan 0.000 0.436 523 P HA 0.085 nan 4.420 nan 0.000 0.279 523 P C -0.093 177.123 177.300 -0.140 0.000 1.282 523 P CA -0.368 62.729 63.100 -0.005 0.000 0.788 523 P CB 0.730 32.582 31.700 0.253 0.000 1.139 524 V N 0.648 120.435 119.914 -0.211 0.000 2.752 524 V HA 0.070 4.191 4.120 0.000 0.000 0.306 524 V C -0.019 175.826 176.094 -0.414 0.000 1.099 524 V CA 1.147 63.258 62.300 -0.315 0.000 1.240 524 V CB -0.426 31.240 31.823 -0.261 0.000 0.887 524 V HN 0.845 nan 8.190 nan 0.000 0.499 525 T N 4.526 118.798 114.554 -0.470 0.000 2.887 525 T HA 0.611 4.961 4.350 0.000 0.000 0.288 525 T C 0.237 174.656 174.700 -0.467 0.000 1.021 525 T CA -0.545 61.270 62.100 -0.474 0.000 1.000 525 T CB 1.584 70.254 68.868 -0.330 0.000 1.034 525 T HN 0.372 nan 8.240 nan 0.000 0.467 526 F N 0.154 120.083 119.950 -0.034 0.000 2.289 526 F HA 0.363 4.890 4.527 0.000 0.000 0.280 526 F C 1.504 177.149 175.800 -0.258 0.000 1.045 526 F CA 0.326 58.257 58.000 -0.116 0.000 1.236 526 F CB -0.136 38.925 39.000 0.101 0.000 1.116 526 F HN 0.567 nan 8.300 nan 0.000 0.550 527 H N -1.749 117.566 119.070 0.408 0.000 2.941 527 H HA 0.692 5.249 4.556 0.000 0.000 0.344 527 H C 0.082 175.542 175.328 0.220 0.000 1.235 527 H CA -0.372 55.868 56.048 0.320 0.000 1.149 527 H CB 1.442 31.417 29.762 0.355 0.000 1.885 527 H HN 0.263 nan 8.280 nan 0.000 0.558 528 G N -0.272 108.738 108.800 0.349 0.000 2.364 528 G HA2 0.418 4.378 3.960 0.000 0.000 0.286 528 G HA3 0.418 4.378 3.960 0.000 0.000 0.286 528 G C -1.976 173.064 174.900 0.232 0.000 1.241 528 G CA -0.152 45.100 45.100 0.253 0.000 0.887 528 G HN 0.607 nan 8.290 nan 0.000 0.484 529 L N -3.094 118.260 121.223 0.219 0.000 2.720 529 L HA 0.921 5.261 4.340 0.000 0.000 0.261 529 L C -1.601 175.428 176.870 0.264 0.000 1.046 529 L CA -1.162 53.817 54.840 0.232 0.000 0.886 529 L CB 1.609 43.807 42.059 0.232 0.000 1.493 529 L HN 0.741 nan 8.230 nan 0.000 0.407 530 F N 1.239 121.263 119.950 0.123 0.000 2.426 530 F HA 0.624 5.151 4.527 0.000 0.000 0.348 530 F C -0.062 175.811 175.800 0.120 0.000 1.124 530 F CA -0.379 57.682 58.000 0.102 0.000 1.008 530 F CB 1.278 40.305 39.000 0.046 0.000 1.139 530 F HN 0.736 nan 8.300 nan 0.000 0.452 531 K N 6.997 127.133 120.400 -0.440 0.000 2.334 531 K HA 0.326 4.646 4.320 0.000 0.000 0.265 531 K C -0.696 175.619 176.600 -0.474 0.000 1.039 531 K CA -0.568 55.558 56.287 -0.269 0.000 0.920 531 K CB 0.605 32.963 32.500 -0.237 0.000 1.160 531 K HN 0.653 nan 8.250 nan 0.000 0.451 532 K N 1.751 122.051 120.400 -0.166 0.000 2.295 532 K HA 0.135 4.455 4.320 0.000 0.000 0.270 532 K C -0.141 176.445 176.600 -0.023 0.000 1.011 532 K CA -0.126 56.141 56.287 -0.034 0.000 0.953 532 K CB 1.175 33.783 32.500 0.181 0.000 0.956 532 K HN 0.799 nan 8.250 nan 0.000 0.477 533 S N 0.000 115.707 115.700 0.012 0.000 2.498 533 S HA 0.000 4.470 4.470 0.000 0.000 0.327 533 S CA 0.000 58.212 58.200 0.020 0.000 1.107 533 S CB 0.000 63.189 63.200 -0.018 0.000 0.593 533 S HN 0.000 nan 8.310 nan 0.000 0.517