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 2vo5_1_A DATA FIRST_RESID 28 DATA SEQUENCE NDTSEVMLLD TGWEFSQSGT EKWMPATVPG TVHQDLISHE LLPNPFYGMN DATA SEQUENCE EKKIQWVENE DWEYRTSFIV SEEQLNRDGI QLIFEGLDTY ADVYLNGSLL DATA SEQUENCE LKADNMFVGY TLPVKSVLRK GENHLYIYFH SPIRQTLPQY ASNGFNYPAD DATA SEQUENCE NDHHEKHLSV FSRKAPYSYG WDWGIRMVTS GVWRPVTLRF YDIATISDYY DATA SEQUENCE VRQLSLTDEN ARLSNELIVN QIVPQKIPAE VRVNVSLNGT TVTEVKQQVT DATA SEQUENCE LQPGINHITL PAEVTNPVRW MPNGWGTPTL YDFSAQIACG DRIVAEQSHR DATA SEQUENCE IGLRTIRVVN EKDKDGESFY FEVNGIPMFA KGANYIPQDA LLPNVTTERY DATA SEQUENCE QTLFRDMKEA NMNMVRIWGG GTYENNLFYD LADENGILVW QDFMFACTPY DATA SEQUENCE PSDPTFLKRV EAEAVYNIRR LRNHASLAMW CGNNEILEAL KYWGFEKKFT DATA SEQUENCE PEVYQGLMHG YDKLFRELLP STVKEFDSDR FYVHSSPYLA NWGRPESWGT DATA SEQUENCE GDSHNWGVWY GKKPFESLDT DLPRFMSEFG FQSFPEMKTI AAFAAPEDYQ DATA SEQUENCE IESEVMNAHQ KSSIGNSLIR TYMERDYIIP ESFEDFVYVG LVLQGQGMRH DATA SEQUENCE GLEAHRRNRP YCMGTLYWQL NDSWPVVSWS SIDYYGNWKA LHYQAKRAFA DATA SEQUENCE PVLINPIQQN DSLSVYLISD RLDTMEQMTL EMKVVDFDGK TLGKKIQVHS DATA SEQUENCE LEVPANTSKC VYRAKLDGWL TPEDCRRSFL KLILKDKSGH QVAESVHFFR DATA SEQUENCE KTKDLQLPPT SVSYQMKQTD GKCELTLFSS MLAKDIFIET PLQGARYSDN DATA SEQUENCE FFDLLPGERK KVIITSPRIK XXXXLPVNIK HIRETYK 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 28 N HA 0.000 nan 4.740 nan 0.000 0.220 28 N C 0.000 175.510 175.510 0.000 0.000 1.280 28 N CA 0.000 53.051 53.050 0.001 0.000 0.885 28 N CB 0.000 38.487 38.487 0.001 0.000 1.341 29 D N -2.650 117.755 120.400 0.008 0.000 2.713 29 D HA 0.185 4.828 4.640 0.005 0.000 0.306 29 D C 0.788 177.105 176.300 0.029 0.000 1.299 29 D CA -0.597 53.410 54.000 0.012 0.000 0.823 29 D CB 0.116 40.918 40.800 0.003 0.000 1.353 29 D HN -0.064 nan 8.370 nan 0.000 0.447 30 T N -2.443 112.134 114.554 0.039 0.000 3.163 30 T HA 0.119 4.472 4.350 0.005 0.000 0.260 30 T C 0.941 175.690 174.700 0.081 0.000 1.156 30 T CA 0.514 62.645 62.100 0.052 0.000 1.072 30 T CB -0.791 68.106 68.868 0.049 0.000 0.937 30 T HN 0.631 nan 8.240 nan 0.000 0.528 31 S N 0.654 116.410 115.700 0.094 0.000 2.584 31 S HA 0.239 4.712 4.470 0.005 0.000 0.270 31 S C -0.239 174.440 174.600 0.133 0.000 1.346 31 S CA -0.840 57.446 58.200 0.142 0.000 1.018 31 S CB 1.013 64.286 63.200 0.121 0.000 0.899 31 S HN 0.660 nan 8.310 nan 0.000 0.542 32 E N 1.039 121.358 120.200 0.198 0.000 2.222 32 E HA 0.560 4.913 4.350 0.005 0.000 0.267 32 E C -1.702 175.057 176.600 0.265 0.000 0.884 32 E CA -1.014 55.509 56.400 0.204 0.000 0.764 32 E CB 1.777 31.593 29.700 0.192 0.000 1.169 32 E HN 0.559 nan 8.360 nan 0.000 0.413 33 V N 5.394 125.411 119.914 0.172 0.000 2.409 33 V HA 0.368 4.491 4.120 0.005 0.000 0.291 33 V C -0.051 176.122 176.094 0.132 0.000 1.020 33 V CA -0.568 61.807 62.300 0.125 0.000 0.848 33 V CB 1.345 33.199 31.823 0.051 0.000 0.990 33 V HN 0.810 nan 8.190 nan 0.000 0.430 34 M N 5.640 125.328 119.600 0.147 0.000 2.129 34 M HA 0.516 4.999 4.480 0.005 0.000 0.348 34 M C -0.835 175.464 176.300 -0.000 0.000 1.116 34 M CA -0.367 54.994 55.300 0.101 0.000 1.022 34 M CB 1.430 34.134 32.600 0.174 0.000 1.599 34 M HN 0.444 nan 8.290 nan 0.000 0.449 35 L N 5.205 126.437 121.223 0.015 0.000 2.281 35 L HA 0.328 4.671 4.340 0.005 0.000 0.285 35 L C -0.287 176.600 176.870 0.029 0.000 1.074 35 L CA -0.348 54.499 54.840 0.011 0.000 0.817 35 L CB 0.297 42.378 42.059 0.035 0.000 1.168 35 L HN 0.645 nan 8.230 nan 0.000 0.434 36 L N 4.700 125.941 121.223 0.030 0.000 2.422 36 L HA 0.153 4.496 4.340 0.005 0.000 0.256 36 L C 0.123 177.239 176.870 0.411 0.000 1.202 36 L CA -0.071 54.859 54.840 0.149 0.000 1.119 36 L CB -0.294 41.810 42.059 0.074 0.000 1.383 36 L HN 0.708 nan 8.230 nan 0.000 0.411 37 D N -0.953 119.635 120.400 0.315 0.000 2.540 37 D HA 0.051 4.693 4.640 0.005 0.000 0.229 37 D C 0.390 176.885 176.300 0.325 0.000 1.250 37 D CA -0.050 54.127 54.000 0.296 0.000 0.817 37 D CB 0.551 41.439 40.800 0.147 0.000 1.060 37 D HN 0.311 nan 8.370 nan 0.000 0.508 38 T N -4.505 110.256 114.554 0.345 0.000 2.903 38 T HA 0.545 4.898 4.350 0.005 0.000 0.299 38 T C 0.873 175.718 174.700 0.242 0.000 1.093 38 T CA -0.202 62.066 62.100 0.280 0.000 1.002 38 T CB 1.854 70.824 68.868 0.169 0.000 1.127 38 T HN 0.415 nan 8.240 nan 0.000 0.488 39 G N 0.246 109.184 108.800 0.231 0.000 2.141 39 G HA2 -0.201 3.761 3.960 0.005 0.000 0.242 39 G HA3 -0.201 3.761 3.960 0.005 0.000 0.242 39 G C -0.146 174.840 174.900 0.143 0.000 0.982 39 G CA -0.231 44.953 45.100 0.140 0.000 0.662 39 G HN 0.808 nan 8.290 nan 0.000 0.527 40 W N 0.568 121.992 121.300 0.206 0.000 2.161 40 W HA 0.651 5.314 4.660 0.005 0.000 0.344 40 W C 0.839 177.531 176.519 0.288 0.000 1.262 40 W CA -0.065 57.439 57.345 0.265 0.000 1.270 40 W CB 0.600 30.254 29.460 0.323 0.000 1.126 40 W HN 0.176 nan 8.180 nan 0.000 0.598 41 E N 1.112 121.661 120.200 0.581 0.000 2.367 41 E HA 0.487 4.839 4.350 0.005 0.000 0.273 41 E C -1.320 175.665 176.600 0.641 0.000 0.903 41 E CA -1.027 55.696 56.400 0.539 0.000 0.764 41 E CB 2.261 32.176 29.700 0.357 0.000 1.252 41 E HN 0.306 nan 8.360 nan 0.000 0.446 42 F N -0.917 119.173 119.950 0.234 0.000 2.611 42 F HA 0.853 5.383 4.527 0.005 0.000 0.324 42 F C -0.673 174.973 175.800 -0.257 0.000 1.061 42 F CA -0.839 57.050 58.000 -0.185 0.000 0.954 42 F CB 2.063 40.581 39.000 -0.803 0.000 1.301 42 F HN 0.308 nan 8.300 nan 0.000 0.482 43 S N 0.897 116.158 115.700 -0.733 0.000 2.546 43 S HA 0.215 4.688 4.470 0.005 0.000 0.272 43 S C -1.543 172.800 174.600 -0.429 0.000 1.140 43 S CA -0.692 56.933 58.200 -0.958 0.000 0.920 43 S CB 1.678 63.773 63.200 -1.841 0.000 1.083 43 S HN 0.950 nan 8.310 nan 0.000 0.476 44 Q N 2.953 122.504 119.800 -0.416 0.000 2.262 44 Q HA 0.213 4.556 4.340 0.005 0.000 0.272 44 Q C -0.440 175.213 176.000 -0.580 0.000 1.076 44 Q CA 0.076 55.416 55.803 -0.771 0.000 0.905 44 Q CB 0.359 28.742 28.738 -0.590 0.000 1.182 44 Q HN 0.694 nan 8.270 nan 0.000 0.390 45 S N 2.803 118.163 115.700 -0.568 0.000 2.558 45 S HA 0.241 4.714 4.470 0.005 0.000 0.293 45 S C 1.012 175.475 174.600 -0.229 0.000 1.292 45 S CA 0.496 58.505 58.200 -0.318 0.000 1.063 45 S CB 0.718 63.783 63.200 -0.225 0.000 0.831 45 S HN 1.016 nan 8.310 nan 0.000 0.499 46 G N 1.924 110.641 108.800 -0.138 0.000 2.213 46 G HA2 -0.305 3.658 3.960 0.005 0.000 0.226 46 G HA3 -0.305 3.658 3.960 0.005 0.000 0.226 46 G C 0.840 175.672 174.900 -0.115 0.000 0.992 46 G CA 0.680 45.722 45.100 -0.095 0.000 0.632 46 G HN 0.944 nan 8.290 nan 0.000 0.511 47 T N -2.143 112.303 114.554 -0.179 0.000 3.037 47 T HA 0.377 4.730 4.350 0.005 0.000 0.252 47 T C 1.149 175.760 174.700 -0.148 0.000 1.073 47 T CA 1.254 63.252 62.100 -0.170 0.000 1.091 47 T CB -0.078 68.661 68.868 -0.216 0.000 0.935 47 T HN 0.809 nan 8.240 nan 0.000 0.488 48 E N 0.159 120.255 120.200 -0.174 0.000 3.065 48 E HA -0.227 4.126 4.350 0.005 0.000 0.277 48 E C 0.020 176.568 176.600 -0.086 0.000 1.008 48 E CA 0.851 57.205 56.400 -0.076 0.000 0.864 48 E CB -1.319 28.404 29.700 0.038 0.000 1.439 48 E HN 0.724 nan 8.360 nan 0.000 0.445 49 K N 0.629 120.868 120.400 -0.268 0.000 2.213 49 K HA 0.400 4.723 4.320 0.005 0.000 0.270 49 K C -1.190 175.166 176.600 -0.407 0.000 1.002 49 K CA -0.516 55.651 56.287 -0.201 0.000 0.868 49 K CB 0.781 33.178 32.500 -0.172 0.000 1.093 49 K HN 0.042 nan 8.250 nan 0.000 0.454 50 W N 4.824 126.032 121.300 -0.153 0.000 2.666 50 W HA 0.498 5.160 4.660 0.005 0.000 0.334 50 W C -0.608 175.779 176.519 -0.220 0.000 1.051 50 W CA -0.852 56.377 57.345 -0.194 0.000 1.224 50 W CB 1.769 31.176 29.460 -0.088 0.000 1.405 50 W HN 0.211 nan 8.180 nan 0.000 0.513 51 M N 2.986 122.537 119.600 -0.081 0.000 2.550 51 M HA 0.387 4.870 4.480 0.005 0.000 0.292 51 M C -2.588 173.848 176.300 0.227 0.000 1.221 51 M CA -2.538 52.691 55.300 -0.118 0.000 0.873 51 M CB 1.694 34.000 32.600 -0.490 0.000 1.727 51 M HN 0.016 nan 8.290 nan 0.000 0.459 52 P HA 0.294 nan 4.420 nan 0.000 0.268 52 P C -1.161 176.517 177.300 0.630 0.000 1.205 52 P CA -0.005 63.368 63.100 0.456 0.000 0.771 52 P CB 0.498 32.429 31.700 0.384 0.000 0.858 53 A N 2.379 125.511 122.820 0.521 0.000 2.435 53 A HA 0.776 5.099 4.320 0.005 0.000 0.296 53 A C -0.686 177.073 177.584 0.291 0.000 1.147 53 A CA -0.421 51.849 52.037 0.388 0.000 0.775 53 A CB 0.988 20.241 19.000 0.421 0.000 1.340 53 A HN 0.394 nan 8.150 nan 0.000 0.427 54 T N 0.853 115.491 114.554 0.139 0.000 2.779 54 T HA 0.581 4.934 4.350 0.005 0.000 0.280 54 T C -0.935 173.747 174.700 -0.031 0.000 0.987 54 T CA -0.235 61.912 62.100 0.079 0.000 0.966 54 T CB 0.991 69.878 68.868 0.031 0.000 0.933 54 T HN 0.567 nan 8.240 nan 0.000 0.442 55 V N 5.927 125.798 119.914 -0.072 0.000 2.623 55 V HA 0.403 4.525 4.120 0.005 0.000 0.304 55 V C -2.352 173.664 176.094 -0.130 0.000 1.054 55 V CA -2.108 60.021 62.300 -0.285 0.000 0.882 55 V CB 1.939 33.198 31.823 -0.940 0.000 1.002 55 V HN 0.675 nan 8.190 nan 0.000 0.424 56 P HA 0.493 nan 4.420 nan 0.000 0.268 56 P C 0.193 177.427 177.300 -0.110 0.000 1.205 56 P CA 0.477 63.494 63.100 -0.138 0.000 0.771 56 P CB 1.073 32.730 31.700 -0.072 0.000 0.858 57 G N 0.644 109.352 108.800 -0.154 0.000 2.500 57 G HA2 0.636 4.599 3.960 0.005 0.000 0.299 57 G HA3 0.636 4.599 3.960 0.005 0.000 0.299 57 G C -1.464 173.319 174.900 -0.194 0.000 1.242 57 G CA -0.375 44.645 45.100 -0.133 0.000 0.859 57 G HN 0.642 nan 8.290 nan 0.000 0.481 58 T N -2.735 111.688 114.554 -0.218 0.000 2.900 58 T HA 0.545 4.898 4.350 0.005 0.000 0.303 58 T C 0.935 175.437 174.700 -0.330 0.000 1.142 58 T CA 0.054 61.992 62.100 -0.268 0.000 1.007 58 T CB 1.601 70.364 68.868 -0.176 0.000 1.156 58 T HN 0.724 nan 8.240 nan 0.000 0.490 59 V N 1.109 120.770 119.914 -0.422 0.000 2.282 59 V HA -0.216 3.907 4.120 0.005 0.000 0.249 59 V C 2.458 178.168 176.094 -0.639 0.000 1.057 59 V CA 2.253 64.169 62.300 -0.640 0.000 1.032 59 V CB -1.164 30.018 31.823 -1.067 0.000 0.645 59 V HN 0.988 nan 8.190 nan 0.000 0.447 60 H N -0.785 117.980 119.070 -0.509 0.000 2.319 60 H HA -0.201 4.358 4.556 0.005 0.000 0.299 60 H C 2.316 177.470 175.328 -0.290 0.000 1.092 60 H CA 2.003 57.816 56.048 -0.393 0.000 1.302 60 H CB -0.238 29.318 29.762 -0.342 0.000 1.373 60 H HN 0.326 nan 8.280 nan 0.000 0.497 61 Q N 0.765 120.482 119.800 -0.139 0.000 2.135 61 Q HA -0.146 4.197 4.340 0.005 0.000 0.204 61 Q C 1.387 177.280 176.000 -0.179 0.000 0.981 61 Q CA 1.699 57.419 55.803 -0.137 0.000 0.856 61 Q CB -0.274 28.397 28.738 -0.112 0.000 0.902 61 Q HN 0.445 nan 8.270 nan 0.000 0.425 62 D N -0.523 119.692 120.400 -0.308 0.000 2.149 62 D HA -0.145 4.498 4.640 0.005 0.000 0.198 62 D C 1.883 178.110 176.300 -0.122 0.000 0.990 62 D CA 1.088 54.834 54.000 -0.423 0.000 0.839 62 D CB -0.114 39.995 40.800 -1.151 0.000 0.948 62 D HN 0.308 nan 8.370 nan 0.000 0.460 63 L N 0.391 121.567 121.223 -0.078 0.000 1.988 63 L HA -0.121 4.222 4.340 0.005 0.000 0.207 63 L C 2.614 179.554 176.870 0.116 0.000 1.071 63 L CA 0.741 55.677 54.840 0.159 0.000 0.744 63 L CB -0.491 41.611 42.059 0.072 0.000 0.893 63 L HN -0.027 nan 8.230 nan 0.000 0.433 64 I N 0.330 120.910 120.570 0.016 0.000 2.143 64 I HA -0.414 3.759 4.170 0.005 0.000 0.245 64 I C 2.845 178.957 176.117 -0.007 0.000 1.068 64 I CA 1.951 63.255 61.300 0.006 0.000 1.326 64 I CB -0.579 37.397 38.000 -0.039 0.000 1.028 64 I HN 0.441 nan 8.210 nan 0.000 0.412 65 S N -0.248 115.406 115.700 -0.076 0.000 2.419 65 S HA -0.220 4.252 4.470 0.005 0.000 0.235 65 S C 1.621 176.068 174.600 -0.255 0.000 1.019 65 S CA 1.256 59.346 58.200 -0.184 0.000 0.982 65 S CB -0.478 62.546 63.200 -0.294 0.000 0.789 65 S HN 0.517 nan 8.310 nan 0.000 0.490 66 H N 1.058 120.201 119.070 0.120 0.000 2.592 66 H HA 0.324 4.882 4.556 0.005 0.000 0.279 66 H C 0.167 175.562 175.328 0.111 0.000 1.089 66 H CA 0.546 56.675 56.048 0.134 0.000 1.150 66 H CB 0.043 29.918 29.762 0.189 0.000 1.575 66 H HN 0.592 nan 8.280 nan 0.000 0.547 67 E N -0.007 120.288 120.200 0.160 0.000 3.286 67 E HA -0.190 4.163 4.350 0.005 0.000 0.292 67 E C 0.571 177.262 176.600 0.153 0.000 0.928 67 E CA 0.172 56.649 56.400 0.128 0.000 0.982 67 E CB -1.326 28.437 29.700 0.106 0.000 1.500 67 E HN 0.175 nan 8.360 nan 0.000 0.441 68 L N -0.048 121.298 121.223 0.204 0.000 2.552 68 L HA 0.216 4.559 4.340 0.005 0.000 0.227 68 L C 0.807 177.838 176.870 0.269 0.000 1.146 68 L CA 1.280 56.261 54.840 0.235 0.000 0.858 68 L CB -0.103 42.138 42.059 0.302 0.000 0.969 68 L HN 0.173 nan 8.230 nan 0.000 0.451 69 L N -0.348 121.000 121.223 0.208 0.000 2.434 69 L HA 0.437 4.779 4.340 0.005 0.000 0.260 69 L C -2.345 174.607 176.870 0.137 0.000 0.983 69 L CA -1.615 53.348 54.840 0.206 0.000 0.820 69 L CB 2.654 44.805 42.059 0.153 0.000 1.361 69 L HN -0.182 nan 8.230 nan 0.000 0.410 70 P HA 0.059 nan 4.420 nan 0.000 0.277 70 P C -0.845 176.514 177.300 0.098 0.000 1.240 70 P CA -0.470 62.699 63.100 0.116 0.000 0.798 70 P CB 0.578 32.364 31.700 0.144 0.000 0.979 71 N N 3.534 122.289 118.700 0.090 0.000 2.276 71 N HA -0.087 4.656 4.740 0.005 0.000 0.279 71 N C -1.272 174.324 175.510 0.144 0.000 1.379 71 N CA -0.893 52.211 53.050 0.090 0.000 0.886 71 N CB -0.179 38.400 38.487 0.153 0.000 1.199 71 N HN 0.232 nan 8.380 nan 0.000 0.493 72 P HA -0.076 nan 4.420 nan 0.000 0.226 72 P C 0.470 177.976 177.300 0.342 0.000 1.153 72 P CA 0.935 64.073 63.100 0.064 0.000 0.777 72 P CB 0.005 31.621 31.700 -0.140 0.000 0.794 73 F N -2.438 117.687 119.950 0.292 0.000 2.749 73 F HA 0.195 4.725 4.527 0.005 0.000 0.300 73 F C 1.126 177.243 175.800 0.529 0.000 1.103 73 F CA -1.365 56.895 58.000 0.434 0.000 1.342 73 F CB -1.259 37.960 39.000 0.364 0.000 1.098 73 F HN -0.134 nan 8.300 nan 0.000 0.586 74 Y N 0.772 121.384 120.300 0.521 0.000 2.316 74 Y HA 0.462 5.015 4.550 0.005 0.000 0.331 74 Y C 1.317 177.477 175.900 0.434 0.000 1.083 74 Y CA 0.333 58.697 58.100 0.439 0.000 1.206 74 Y CB 0.491 39.131 38.460 0.299 0.000 1.195 74 Y HN 0.303 nan 8.280 nan 0.000 0.497 75 G N 4.784 113.514 108.800 -0.117 0.000 2.672 75 G HA2 -0.353 3.610 3.960 0.005 0.000 0.332 75 G HA3 -0.353 3.610 3.960 0.005 0.000 0.332 75 G C 0.671 175.750 174.900 0.299 0.000 1.213 75 G CA 1.036 46.170 45.100 0.056 0.000 0.980 75 G HN 0.593 nan 8.290 nan 0.000 0.548 76 M N 1.672 121.411 119.600 0.231 0.000 2.405 76 M HA 0.196 4.679 4.480 0.005 0.000 0.292 76 M C 1.469 177.870 176.300 0.168 0.000 1.111 76 M CA 0.023 55.428 55.300 0.174 0.000 0.979 76 M CB 0.133 32.815 32.600 0.137 0.000 1.426 76 M HN 0.400 nan 8.290 nan 0.000 0.509 77 N N 1.563 120.398 118.700 0.225 0.000 2.651 77 N HA -0.170 4.573 4.740 0.005 0.000 0.193 77 N C 1.456 177.055 175.510 0.149 0.000 1.149 77 N CA 0.739 53.914 53.050 0.209 0.000 0.933 77 N CB -0.169 38.478 38.487 0.266 0.000 0.974 77 N HN 0.534 nan 8.380 nan 0.000 0.448 78 E N 1.212 121.473 120.200 0.101 0.000 2.031 78 E HA -0.182 4.171 4.350 0.005 0.000 0.193 78 E C 1.742 178.370 176.600 0.047 0.000 0.994 78 E CA 1.031 57.450 56.400 0.030 0.000 0.800 78 E CB 0.053 29.726 29.700 -0.044 0.000 0.752 78 E HN 0.165 nan 8.360 nan 0.000 0.447 79 K N 0.514 120.952 120.400 0.063 0.000 2.113 79 K HA -0.200 4.123 4.320 0.005 0.000 0.208 79 K C 1.981 178.659 176.600 0.130 0.000 1.047 79 K CA 1.535 57.870 56.287 0.081 0.000 0.928 79 K CB 0.000 32.544 32.500 0.073 0.000 0.716 79 K HN 0.064 nan 8.250 nan 0.000 0.446 80 K N 0.355 120.846 120.400 0.152 0.000 2.360 80 K HA -0.119 4.204 4.320 0.005 0.000 0.201 80 K C 1.838 178.624 176.600 0.310 0.000 1.046 80 K CA 1.243 57.659 56.287 0.214 0.000 0.945 80 K CB -0.028 32.588 32.500 0.193 0.000 0.750 80 K HN 0.416 nan 8.250 nan 0.000 0.464 81 I N -3.207 117.477 120.570 0.191 0.000 4.154 81 I HA 0.065 4.238 4.170 0.005 0.000 0.334 81 I C 1.448 177.494 176.117 -0.118 0.000 1.371 81 I CA -0.215 61.125 61.300 0.067 0.000 1.110 81 I CB 0.351 38.383 38.000 0.054 0.000 1.085 81 I HN -0.240 nan 8.210 nan 0.000 0.398 82 Q N 1.846 121.659 119.800 0.022 0.000 2.226 82 Q HA -0.133 4.210 4.340 0.005 0.000 0.204 82 Q C 1.852 177.863 176.000 0.018 0.000 0.975 82 Q CA 1.902 57.716 55.803 0.019 0.000 0.866 82 Q CB -0.536 28.255 28.738 0.089 0.000 0.915 82 Q HN 0.922 nan 8.270 nan 0.000 0.440 83 W N 0.417 121.776 121.300 0.099 0.000 2.341 83 W HA -0.141 4.523 4.660 0.005 0.000 0.283 83 W C 1.380 177.982 176.519 0.138 0.000 1.215 83 W CA 0.800 58.205 57.345 0.100 0.000 1.211 83 W CB -1.131 28.379 29.460 0.083 0.000 1.131 83 W HN -0.112 nan 8.180 nan 0.000 0.552 84 V N 2.789 122.254 119.914 -0.748 0.000 2.287 84 V HA -0.355 3.768 4.120 0.005 0.000 0.248 84 V C 2.689 178.782 176.094 -0.000 0.000 1.053 84 V CA 2.817 64.738 62.300 -0.633 0.000 1.027 84 V CB -1.283 29.892 31.823 -1.079 0.000 0.646 84 V HN 0.339 nan 8.190 nan 0.000 0.447 85 E N 0.765 120.954 120.200 -0.018 0.000 2.401 85 E HA -0.240 4.113 4.350 0.005 0.000 0.199 85 E C 1.478 178.153 176.600 0.126 0.000 1.023 85 E CA 1.759 58.199 56.400 0.066 0.000 0.859 85 E CB -0.573 29.130 29.700 0.004 0.000 0.780 85 E HN 0.764 nan 8.360 nan 0.000 0.523 86 N N 0.268 119.058 118.700 0.150 0.000 2.373 86 N HA 0.006 4.749 4.740 0.005 0.000 0.181 86 N C -0.160 175.423 175.510 0.122 0.000 1.082 86 N CA 0.141 53.280 53.050 0.149 0.000 0.885 86 N CB 0.372 38.957 38.487 0.162 0.000 0.977 86 N HN 0.131 nan 8.380 nan 0.000 0.462 87 E N 0.721 120.993 120.200 0.121 0.000 2.250 87 E HA 0.211 4.564 4.350 0.005 0.000 0.265 87 E C -0.741 175.740 176.600 -0.198 0.000 1.033 87 E CA -0.319 56.017 56.400 -0.107 0.000 0.888 87 E CB 0.836 30.323 29.700 -0.355 0.000 1.151 87 E HN 0.039 nan 8.360 nan 0.000 0.412 88 D N 0.027 120.204 120.400 -0.372 0.000 2.277 88 D HA 0.426 5.069 4.640 0.005 0.000 0.250 88 D C -0.669 175.189 176.300 -0.737 0.000 1.032 88 D CA -0.095 53.700 54.000 -0.342 0.000 0.947 88 D CB 0.630 41.292 40.800 -0.230 0.000 1.159 88 D HN 0.214 nan 8.370 nan 0.000 0.460 89 W N 0.227 121.436 121.300 -0.152 0.000 2.998 89 W HA 0.358 5.021 4.660 0.005 0.000 0.335 89 W C -0.214 176.327 176.519 0.038 0.000 1.110 89 W CA -0.729 56.600 57.345 -0.026 0.000 1.230 89 W CB 1.431 30.975 29.460 0.139 0.000 1.405 89 W HN 0.053 nan 8.180 nan 0.000 0.493 90 E N 1.865 122.169 120.200 0.175 0.000 2.238 90 E HA 0.502 4.855 4.350 0.005 0.000 0.267 90 E C -1.633 175.121 176.600 0.258 0.000 0.887 90 E CA -1.202 55.325 56.400 0.211 0.000 0.769 90 E CB 2.510 32.285 29.700 0.124 0.000 1.187 90 E HN 0.357 nan 8.360 nan 0.000 0.416 91 Y N 1.028 121.576 120.300 0.413 0.000 2.462 91 Y HA 0.435 4.989 4.550 0.005 0.000 0.346 91 Y C -0.081 176.024 175.900 0.342 0.000 0.976 91 Y CA -0.934 57.515 58.100 0.582 0.000 1.044 91 Y CB 2.019 40.878 38.460 0.665 0.000 1.230 91 Y HN 0.471 nan 8.280 nan 0.000 0.455 92 R N 0.636 121.395 120.500 0.433 0.000 2.740 92 R HA 0.900 5.243 4.340 0.005 0.000 0.273 92 R C -1.745 174.495 176.300 -0.100 0.000 0.998 92 R CA -0.793 55.301 56.100 -0.008 0.000 0.900 92 R CB 2.426 32.463 30.300 -0.439 0.000 1.223 92 R HN 0.597 nan 8.270 nan 0.000 0.466 93 T N 0.239 114.598 114.554 -0.325 0.000 2.853 93 T HA 0.500 4.853 4.350 0.005 0.000 0.311 93 T C -1.435 173.179 174.700 -0.143 0.000 1.307 93 T CA -0.471 61.345 62.100 -0.472 0.000 1.019 93 T CB 2.021 70.079 68.868 -1.351 0.000 1.264 93 T HN 0.584 nan 8.240 nan 0.000 0.497 94 S N 1.448 117.111 115.700 -0.062 0.000 2.542 94 S HA 0.934 5.407 4.470 0.005 0.000 0.293 94 S C -1.513 173.134 174.600 0.079 0.000 1.089 94 S CA -0.665 57.517 58.200 -0.029 0.000 0.961 94 S CB 0.840 64.034 63.200 -0.010 0.000 1.062 94 S HN 0.610 nan 8.310 nan 0.000 0.483 95 F N 0.297 120.179 119.950 -0.112 0.000 2.645 95 F HA 0.731 5.261 4.527 0.005 0.000 0.310 95 F C -1.365 174.399 175.800 -0.060 0.000 1.102 95 F CA -1.366 56.597 58.000 -0.063 0.000 0.952 95 F CB 0.616 39.601 39.000 -0.025 0.000 1.326 95 F HN 0.198 nan 8.300 nan 0.000 0.456 96 I N 2.974 123.616 120.570 0.119 0.000 2.428 96 I HA 0.544 4.717 4.170 0.005 0.000 0.296 96 I C -0.291 175.898 176.117 0.119 0.000 0.985 96 I CA -1.177 60.140 61.300 0.029 0.000 1.260 96 I CB 1.346 39.356 38.000 0.016 0.000 1.389 96 I HN 0.526 nan 8.210 nan 0.000 0.484 97 V N 4.710 124.652 119.914 0.047 0.000 2.531 97 V HA 0.389 4.512 4.120 0.005 0.000 0.301 97 V C 0.305 176.388 176.094 -0.019 0.000 1.034 97 V CA -0.675 61.663 62.300 0.063 0.000 0.865 97 V CB 1.935 33.857 31.823 0.165 0.000 0.995 97 V HN 0.942 nan 8.190 nan 0.000 0.424 98 S N 2.503 118.160 115.700 -0.072 0.000 2.645 98 S HA 0.263 4.736 4.470 0.005 0.000 0.266 98 S C 1.070 175.636 174.600 -0.057 0.000 1.258 98 S CA 0.013 58.172 58.200 -0.068 0.000 0.990 98 S CB 1.271 64.417 63.200 -0.089 0.000 0.967 98 S HN 0.870 nan 8.310 nan 0.000 0.556 99 E N 0.491 120.666 120.200 -0.042 0.000 2.118 99 E HA -0.236 4.116 4.350 0.005 0.000 0.195 99 E C 1.283 177.862 176.600 -0.036 0.000 0.992 99 E CA 1.568 57.950 56.400 -0.030 0.000 0.804 99 E CB -0.150 29.535 29.700 -0.024 0.000 0.741 99 E HN 0.773 nan 8.360 nan 0.000 0.458 100 E N 0.587 120.754 120.200 -0.055 0.000 2.072 100 E HA -0.152 4.201 4.350 0.005 0.000 0.190 100 E C 2.117 178.668 176.600 -0.081 0.000 0.982 100 E CA 1.156 57.520 56.400 -0.060 0.000 0.803 100 E CB -0.114 29.547 29.700 -0.065 0.000 0.755 100 E HN 0.336 nan 8.360 nan 0.000 0.453 101 Q N -0.175 119.534 119.800 -0.153 0.000 2.084 101 Q HA -0.135 4.208 4.340 0.005 0.000 0.202 101 Q C 1.880 177.877 176.000 -0.006 0.000 0.978 101 Q CA 0.841 56.497 55.803 -0.245 0.000 0.844 101 Q CB -0.133 28.214 28.738 -0.651 0.000 0.898 101 Q HN 0.165 nan 8.270 nan 0.000 0.426 102 L N 1.159 122.392 121.223 0.017 0.000 2.265 102 L HA -0.116 4.227 4.340 0.005 0.000 0.215 102 L C 1.293 178.185 176.870 0.036 0.000 1.117 102 L CA 1.482 56.360 54.840 0.064 0.000 0.782 102 L CB -0.308 41.774 42.059 0.039 0.000 0.914 102 L HN 0.233 nan 8.230 nan 0.000 0.441 103 N N -0.631 118.075 118.700 0.010 0.000 2.383 103 N HA 0.003 4.746 4.740 0.005 0.000 0.192 103 N C 0.002 175.508 175.510 -0.006 0.000 1.141 103 N CA -0.138 52.912 53.050 -0.001 0.000 0.851 103 N CB 0.349 38.831 38.487 -0.009 0.000 0.976 103 N HN 0.155 nan 8.380 nan 0.000 0.465 104 R N 1.552 122.057 120.500 0.008 0.000 2.643 104 R HA 0.012 4.355 4.340 0.005 0.000 0.270 104 R C 0.910 177.159 176.300 -0.084 0.000 1.061 104 R CA -0.053 56.037 56.100 -0.016 0.000 1.107 104 R CB 0.318 30.647 30.300 0.048 0.000 0.999 104 R HN 0.101 nan 8.270 nan 0.000 0.460 105 D N 0.623 120.941 120.400 -0.137 0.000 2.133 105 D HA -0.086 4.556 4.640 0.005 0.000 0.195 105 D C 0.877 177.003 176.300 -0.290 0.000 0.997 105 D CA 1.645 55.543 54.000 -0.170 0.000 0.840 105 D CB 0.121 40.838 40.800 -0.140 0.000 0.947 105 D HN 0.639 nan 8.370 nan 0.000 0.452 106 G N -0.732 107.693 108.800 -0.625 0.000 2.612 106 G HA2 0.640 4.603 3.960 0.005 0.000 0.298 106 G HA3 0.640 4.603 3.960 0.005 0.000 0.298 106 G C -1.132 173.404 174.900 -0.606 0.000 1.336 106 G CA -0.597 44.040 45.100 -0.772 0.000 0.953 106 G HN 0.033 nan 8.290 nan 0.000 0.482 107 I N 0.498 120.940 120.570 -0.214 0.000 2.548 107 I HA 0.349 4.522 4.170 0.005 0.000 0.287 107 I C -0.611 175.489 176.117 -0.029 0.000 1.103 107 I CA -0.551 60.667 61.300 -0.137 0.000 1.049 107 I CB 2.491 40.405 38.000 -0.143 0.000 1.232 107 I HN 0.303 nan 8.210 nan 0.000 0.429 108 Q N 4.468 124.259 119.800 -0.015 0.000 2.333 108 Q HA 0.601 4.944 4.340 0.005 0.000 0.267 108 Q C -1.497 174.438 176.000 -0.109 0.000 1.012 108 Q CA -0.971 54.836 55.803 0.007 0.000 0.824 108 Q CB 3.092 31.856 28.738 0.044 0.000 1.290 108 Q HN 0.474 nan 8.270 nan 0.000 0.449 109 L N 4.407 125.587 121.223 -0.071 0.000 2.296 109 L HA 0.549 4.892 4.340 0.005 0.000 0.286 109 L C -1.513 175.277 176.870 -0.133 0.000 1.023 109 L CA -0.191 54.561 54.840 -0.147 0.000 0.812 109 L CB 1.225 43.239 42.059 -0.075 0.000 1.223 109 L HN 0.539 nan 8.230 nan 0.000 0.421 110 I N 5.463 125.884 120.570 -0.248 0.000 2.406 110 I HA 0.374 4.547 4.170 0.005 0.000 0.290 110 I C -1.000 174.924 176.117 -0.322 0.000 0.999 110 I CA -0.042 61.167 61.300 -0.151 0.000 1.124 110 I CB 1.359 39.309 38.000 -0.085 0.000 1.289 110 I HN 0.351 nan 8.210 nan 0.000 0.441 111 F N 4.494 124.492 119.950 0.080 0.000 2.361 111 F HA 0.360 4.890 4.527 0.005 0.000 0.364 111 F C 1.348 177.156 175.800 0.013 0.000 1.117 111 F CA -0.400 57.648 58.000 0.079 0.000 1.071 111 F CB 1.192 40.291 39.000 0.164 0.000 1.188 111 F HN 0.534 nan 8.300 nan 0.000 0.464 112 E N 2.043 122.285 120.200 0.071 0.000 2.427 112 E HA 0.175 4.528 4.350 0.005 0.000 0.196 112 E C 0.690 177.199 176.600 -0.151 0.000 1.028 112 E CA 0.100 56.474 56.400 -0.043 0.000 0.864 112 E CB 0.350 29.998 29.700 -0.086 0.000 0.813 112 E HN 0.750 nan 8.360 nan 0.000 0.514 113 G N 0.629 109.377 108.800 -0.087 0.000 2.682 113 G HA2 0.439 4.402 3.960 0.005 0.000 0.300 113 G HA3 0.439 4.402 3.960 0.005 0.000 0.300 113 G C -1.551 173.500 174.900 0.251 0.000 1.396 113 G CA -0.799 44.243 45.100 -0.097 0.000 1.104 113 G HN -0.037 nan 8.290 nan 0.000 0.587 114 L N 2.200 123.696 121.223 0.455 0.000 2.376 114 L HA 0.470 4.813 4.340 0.005 0.000 0.275 114 L C -1.116 175.983 176.870 0.383 0.000 0.987 114 L CA -0.900 54.202 54.840 0.436 0.000 0.828 114 L CB 2.505 44.701 42.059 0.228 0.000 1.249 114 L HN 0.485 nan 8.230 nan 0.000 0.409 115 D N 1.677 122.254 120.400 0.295 0.000 2.467 115 D HA 0.345 4.987 4.640 0.005 0.000 0.220 115 D C 0.078 176.447 176.300 0.115 0.000 1.103 115 D CA 0.010 53.995 54.000 -0.025 0.000 0.886 115 D CB 1.397 42.019 40.800 -0.296 0.000 1.025 115 D HN 0.523 nan 8.370 nan 0.000 0.514 116 T N 2.279 116.928 114.554 0.158 0.000 3.449 116 T HA 0.063 4.416 4.350 0.005 0.000 0.268 116 T C -0.166 174.441 174.700 -0.156 0.000 0.996 116 T CA 0.059 62.088 62.100 -0.118 0.000 1.125 116 T CB -0.066 68.573 68.868 -0.381 0.000 1.172 116 T HN 0.225 nan 8.240 nan 0.000 0.430 117 Y N 2.686 123.121 120.300 0.224 0.000 2.627 117 Y HA 0.657 5.210 4.550 0.005 0.000 0.347 117 Y C 0.243 176.265 175.900 0.203 0.000 1.099 117 Y CA -1.032 57.194 58.100 0.210 0.000 1.408 117 Y CB 0.038 38.644 38.460 0.243 0.000 1.247 117 Y HN 0.199 nan 8.280 nan 0.000 0.506 118 A N 2.903 125.764 122.820 0.069 0.000 2.332 118 A HA 0.483 4.806 4.320 0.005 0.000 0.300 118 A C -1.024 176.427 177.584 -0.221 0.000 1.153 118 A CA -0.971 50.889 52.037 -0.294 0.000 0.764 118 A CB 0.528 19.135 19.000 -0.655 0.000 1.174 118 A HN 0.510 nan 8.150 nan 0.000 0.467 119 D N 2.266 122.588 120.400 -0.131 0.000 2.316 119 D HA 0.354 4.997 4.640 0.005 0.000 0.245 119 D C -0.255 175.798 176.300 -0.413 0.000 1.171 119 D CA 0.222 54.065 54.000 -0.262 0.000 0.856 119 D CB 1.703 42.417 40.800 -0.143 0.000 1.090 119 D HN 0.175 nan 8.370 nan 0.000 0.476 120 V N 3.856 123.470 119.914 -0.499 0.000 2.383 120 V HA 0.229 4.352 4.120 0.005 0.000 0.275 120 V C -0.624 175.279 176.094 -0.320 0.000 1.036 120 V CA -0.595 61.515 62.300 -0.317 0.000 0.889 120 V CB 0.064 31.701 31.823 -0.309 0.000 0.985 120 V HN 0.341 nan 8.190 nan 0.000 0.459 121 Y N 5.047 125.453 120.300 0.177 0.000 2.376 121 Y HA 0.733 5.286 4.550 0.005 0.000 0.340 121 Y C -0.337 175.694 175.900 0.218 0.000 0.965 121 Y CA -1.017 57.185 58.100 0.171 0.000 1.078 121 Y CB 1.981 40.537 38.460 0.160 0.000 1.193 121 Y HN 0.528 nan 8.280 nan 0.000 0.452 122 L N 4.595 126.008 121.223 0.318 0.000 2.404 122 L HA 0.538 4.881 4.340 0.005 0.000 0.272 122 L C -0.597 176.383 176.870 0.182 0.000 0.980 122 L CA -0.633 54.363 54.840 0.261 0.000 0.836 122 L CB 1.045 43.258 42.059 0.257 0.000 1.238 122 L HN 0.729 nan 8.230 nan 0.000 0.408 123 N N 4.326 123.115 118.700 0.147 0.000 2.725 123 N HA -0.204 4.538 4.740 0.005 0.000 0.251 123 N C 0.993 176.555 175.510 0.086 0.000 1.031 123 N CA 1.440 54.546 53.050 0.094 0.000 0.720 123 N CB -1.201 37.313 38.487 0.045 0.000 0.930 123 N HN 1.315 nan 8.380 nan 0.000 0.543 124 G N -1.880 106.976 108.800 0.092 0.000 2.205 124 G HA2 -0.309 3.654 3.960 0.005 0.000 0.261 124 G HA3 -0.309 3.654 3.960 0.005 0.000 0.261 124 G C 0.056 175.027 174.900 0.117 0.000 0.980 124 G CA 0.624 45.761 45.100 0.061 0.000 0.632 124 G HN 0.878 nan 8.290 nan 0.000 0.533 125 S N 0.090 115.888 115.700 0.162 0.000 2.457 125 S HA 0.615 5.088 4.470 0.005 0.000 0.289 125 S C 0.132 174.871 174.600 0.231 0.000 1.163 125 S CA -0.602 57.695 58.200 0.163 0.000 1.078 125 S CB 0.950 64.221 63.200 0.118 0.000 0.987 125 S HN 1.094 nan 8.310 nan 0.000 0.482 126 L N 7.325 128.671 121.223 0.204 0.000 2.407 126 L HA 0.314 4.657 4.340 0.005 0.000 0.282 126 L C 0.559 177.408 176.870 -0.035 0.000 1.110 126 L CA 0.501 55.347 54.840 0.010 0.000 0.863 126 L CB -0.204 41.859 42.059 0.006 0.000 1.207 126 L HN 0.840 nan 8.230 nan 0.000 0.454 127 L N 4.912 126.096 121.223 -0.066 0.000 2.209 127 L HA 0.163 4.506 4.340 0.005 0.000 0.207 127 L C -0.029 176.790 176.870 -0.086 0.000 1.094 127 L CA 0.297 55.123 54.840 -0.022 0.000 0.790 127 L CB -0.060 42.026 42.059 0.045 0.000 0.932 127 L HN 0.573 nan 8.230 nan 0.000 0.447 128 L N -0.527 120.583 121.223 -0.189 0.000 2.666 128 L HA 0.297 4.640 4.340 0.005 0.000 0.259 128 L C -1.463 175.228 176.870 -0.298 0.000 0.919 128 L CA -0.438 54.252 54.840 -0.250 0.000 0.927 128 L CB 1.586 43.442 42.059 -0.338 0.000 1.423 128 L HN -0.115 nan 8.230 nan 0.000 0.426 129 K N 4.504 124.766 120.400 -0.231 0.000 2.300 129 K HA 0.750 5.072 4.320 0.005 0.000 0.264 129 K C -0.246 176.231 176.600 -0.204 0.000 1.083 129 K CA -0.364 55.819 56.287 -0.174 0.000 0.958 129 K CB 1.333 33.788 32.500 -0.075 0.000 1.318 129 K HN 0.706 nan 8.250 nan 0.000 0.448 130 A N 2.517 125.157 122.820 -0.299 0.000 2.407 130 A HA 0.142 4.465 4.320 0.005 0.000 0.248 130 A C 0.231 177.771 177.584 -0.074 0.000 1.082 130 A CA -0.144 51.693 52.037 -0.332 0.000 0.785 130 A CB 0.182 18.935 19.000 -0.411 0.000 1.020 130 A HN 0.830 nan 8.150 nan 0.000 0.489 131 D N -0.097 120.303 120.400 0.000 0.000 2.672 131 D HA 0.104 4.747 4.640 0.005 0.000 0.287 131 D C -0.709 175.523 176.300 -0.115 0.000 1.559 131 D CA -0.293 53.656 54.000 -0.085 0.000 0.796 131 D CB -0.288 40.572 40.800 0.100 0.000 1.181 131 D HN 0.269 nan 8.370 nan 0.000 0.458 132 N N 0.892 119.574 118.700 -0.029 0.000 2.578 132 N HA 0.134 4.877 4.740 0.005 0.000 0.282 132 N C 0.146 175.605 175.510 -0.085 0.000 1.119 132 N CA -0.296 52.710 53.050 -0.072 0.000 0.948 132 N CB 1.764 40.257 38.487 0.010 0.000 1.546 132 N HN 0.041 nan 8.380 nan 0.000 0.525 133 M N 2.580 121.987 119.600 -0.322 0.000 2.213 133 M HA 0.004 4.487 4.480 0.005 0.000 0.263 133 M C 0.046 176.384 176.300 0.063 0.000 1.062 133 M CA 1.700 56.824 55.300 -0.293 0.000 1.105 133 M CB 0.031 32.161 32.600 -0.784 0.000 1.385 133 M HN 0.403 nan 8.290 nan 0.000 0.417 134 F N -0.034 120.053 119.950 0.228 0.000 2.731 134 F HA 0.236 4.766 4.527 0.005 0.000 0.304 134 F C 0.077 175.913 175.800 0.061 0.000 1.133 134 F CA -0.259 57.928 58.000 0.311 0.000 1.380 134 F CB -0.793 38.451 39.000 0.407 0.000 1.079 134 F HN -0.205 nan 8.300 nan 0.000 0.550 135 V N -0.305 119.536 119.914 -0.120 0.000 2.540 135 V HA 0.723 4.846 4.120 0.005 0.000 0.302 135 V C 0.526 175.946 176.094 -1.123 0.000 1.035 135 V CA -1.110 60.706 62.300 -0.806 0.000 0.873 135 V CB 1.470 32.870 31.823 -0.705 0.000 0.992 135 V HN 0.194 nan 8.190 nan 0.000 0.428 136 G N 2.789 110.546 108.800 -1.738 0.000 2.400 136 G HA2 0.569 4.532 3.960 0.005 0.000 0.301 136 G HA3 0.569 4.532 3.960 0.005 0.000 0.301 136 G C -1.559 172.912 174.900 -0.716 0.000 1.154 136 G CA -0.185 44.404 45.100 -0.850 0.000 0.852 136 G HN 0.513 nan 8.290 nan 0.000 0.511 137 Y N 0.009 120.276 120.300 -0.054 0.000 2.331 137 Y HA 0.442 4.995 4.550 0.005 0.000 0.334 137 Y C 0.529 176.481 175.900 0.087 0.000 0.960 137 Y CA -0.675 57.441 58.100 0.027 0.000 1.130 137 Y CB 2.488 40.995 38.460 0.077 0.000 1.164 137 Y HN 0.383 nan 8.280 nan 0.000 0.458 138 T N 5.679 120.348 114.554 0.192 0.000 2.758 138 T HA 0.641 4.994 4.350 0.005 0.000 0.285 138 T C -0.597 174.183 174.700 0.133 0.000 0.981 138 T CA -0.578 61.597 62.100 0.125 0.000 0.965 138 T CB 0.219 69.128 68.868 0.069 0.000 0.927 138 T HN 0.374 nan 8.240 nan 0.000 0.448 139 L N 5.736 127.033 121.223 0.123 0.000 2.381 139 L HA 0.461 4.804 4.340 0.005 0.000 0.274 139 L C -2.425 174.499 176.870 0.089 0.000 0.988 139 L CA -2.541 52.371 54.840 0.120 0.000 0.824 139 L CB 2.191 44.348 42.059 0.163 0.000 1.263 139 L HN 0.343 nan 8.230 nan 0.000 0.410 140 P HA 0.078 nan 4.420 nan 0.000 0.282 140 P C 0.312 177.652 177.300 0.067 0.000 1.274 140 P CA -0.160 62.985 63.100 0.076 0.000 0.770 140 P CB 1.211 32.955 31.700 0.073 0.000 0.867 141 V N 1.008 120.956 119.914 0.056 0.000 3.398 141 V HA 0.202 4.325 4.120 0.005 0.000 0.298 141 V C 1.749 177.882 176.094 0.065 0.000 1.496 141 V CA 0.162 62.505 62.300 0.071 0.000 1.044 141 V CB -0.303 31.577 31.823 0.095 0.000 0.880 141 V HN 0.313 nan 8.190 nan 0.000 0.443 142 K N 2.539 122.964 120.400 0.042 0.000 2.057 142 K HA -0.181 4.142 4.320 0.005 0.000 0.207 142 K C 2.196 178.824 176.600 0.046 0.000 1.049 142 K CA 2.222 58.534 56.287 0.042 0.000 0.931 142 K CB -0.198 32.306 32.500 0.007 0.000 0.714 142 K HN 0.721 nan 8.250 nan 0.000 0.440 143 S N -0.390 115.333 115.700 0.038 0.000 2.507 143 S HA -0.042 4.431 4.470 0.005 0.000 0.235 143 S C 1.710 176.335 174.600 0.041 0.000 0.988 143 S CA 0.826 59.047 58.200 0.035 0.000 0.944 143 S CB 0.308 63.526 63.200 0.030 0.000 0.762 143 S HN 0.145 nan 8.310 nan 0.000 0.526 144 V N 0.732 120.678 119.914 0.054 0.000 3.471 144 V HA 0.366 4.489 4.120 0.005 0.000 0.258 144 V C 0.849 176.977 176.094 0.057 0.000 1.192 144 V CA 0.195 62.530 62.300 0.060 0.000 1.116 144 V CB -0.245 31.625 31.823 0.078 0.000 0.792 144 V HN 0.431 nan 8.190 nan 0.000 0.459 145 L N 0.666 121.929 121.223 0.066 0.000 2.436 145 L HA 0.390 4.733 4.340 0.005 0.000 0.265 145 L C 0.294 177.178 176.870 0.023 0.000 1.168 145 L CA 0.134 55.010 54.840 0.061 0.000 0.815 145 L CB 0.612 42.750 42.059 0.131 0.000 1.109 145 L HN 0.165 nan 8.230 nan 0.000 0.462 146 R N 1.208 121.694 120.500 -0.022 0.000 2.670 146 R HA 0.338 4.681 4.340 0.005 0.000 0.289 146 R C -0.875 175.401 176.300 -0.041 0.000 0.965 146 R CA -1.090 54.990 56.100 -0.033 0.000 0.899 146 R CB 1.955 32.221 30.300 -0.056 0.000 1.173 146 R HN 0.367 nan 8.270 nan 0.000 0.456 147 K N 1.389 121.774 120.400 -0.025 0.000 2.524 147 K HA 0.153 4.476 4.320 0.005 0.000 0.279 147 K C 0.522 177.090 176.600 -0.053 0.000 0.993 147 K CA 1.498 57.767 56.287 -0.030 0.000 1.030 147 K CB 0.216 32.703 32.500 -0.021 0.000 0.891 147 K HN 0.751 nan 8.250 nan 0.000 0.488 148 G N 2.768 111.533 108.800 -0.059 0.000 2.481 148 G HA2 -0.281 3.682 3.960 0.005 0.000 0.230 148 G HA3 -0.281 3.682 3.960 0.005 0.000 0.230 148 G C -0.927 173.891 174.900 -0.138 0.000 1.210 148 G CA 0.087 45.141 45.100 -0.077 0.000 0.936 148 G HN 0.849 nan 8.290 nan 0.000 0.583 149 E N 0.668 120.758 120.200 -0.182 0.000 2.349 149 E HA 0.616 4.969 4.350 0.005 0.000 0.265 149 E C -0.375 175.900 176.600 -0.542 0.000 1.064 149 E CA -0.713 55.487 56.400 -0.334 0.000 0.886 149 E CB 0.949 30.474 29.700 -0.291 0.000 1.036 149 E HN 0.515 nan 8.360 nan 0.000 0.413 150 N N 1.053 119.258 118.700 -0.824 0.000 2.260 150 N HA 0.213 4.955 4.740 0.005 0.000 0.293 150 N C -1.454 173.470 175.510 -0.977 0.000 1.058 150 N CA -0.668 51.837 53.050 -0.908 0.000 0.824 150 N CB 1.570 39.380 38.487 -1.127 0.000 1.551 150 N HN 0.498 nan 8.380 nan 0.000 0.475 151 H N 1.628 120.547 119.070 -0.252 0.000 2.551 151 H HA 0.282 4.841 4.556 0.005 0.000 0.321 151 H C -0.502 174.862 175.328 0.061 0.000 1.028 151 H CA -0.557 55.436 56.048 -0.092 0.000 1.215 151 H CB 2.135 31.880 29.762 -0.029 0.000 1.414 151 H HN 0.341 nan 8.280 nan 0.000 0.480 152 L N 4.125 125.491 121.223 0.239 0.000 2.307 152 L HA 0.334 4.677 4.340 0.005 0.000 0.282 152 L C -1.339 175.761 176.870 0.382 0.000 1.051 152 L CA -0.505 54.545 54.840 0.350 0.000 0.804 152 L CB 0.604 42.897 42.059 0.389 0.000 1.197 152 L HN 0.553 nan 8.230 nan 0.000 0.431 153 Y N 4.932 125.444 120.300 0.352 0.000 2.401 153 Y HA 0.624 5.177 4.550 0.005 0.000 0.330 153 Y C -1.060 175.122 175.900 0.469 0.000 1.071 153 Y CA -0.767 57.575 58.100 0.403 0.000 1.049 153 Y CB 1.530 40.182 38.460 0.321 0.000 1.239 153 Y HN 0.491 nan 8.280 nan 0.000 0.437 154 I N 6.424 127.296 120.570 0.503 0.000 2.466 154 I HA 0.224 4.397 4.170 0.005 0.000 0.289 154 I C -1.492 174.825 176.117 0.335 0.000 1.026 154 I CA -0.961 60.540 61.300 0.336 0.000 1.078 154 I CB 1.920 40.020 38.000 0.167 0.000 1.249 154 I HN 0.591 nan 8.210 nan 0.000 0.429 155 Y N 6.544 126.916 120.300 0.121 0.000 2.385 155 Y HA 0.453 5.006 4.550 0.005 0.000 0.341 155 Y C -0.934 174.838 175.900 -0.213 0.000 0.965 155 Y CA -0.545 57.609 58.100 0.089 0.000 1.180 155 Y CB 0.724 39.275 38.460 0.151 0.000 1.139 155 Y HN 0.351 nan 8.280 nan 0.000 0.502 156 F N 5.611 125.571 119.950 0.017 0.000 2.368 156 F HA 0.222 4.752 4.527 0.005 0.000 0.362 156 F C 0.515 176.351 175.800 0.060 0.000 1.137 156 F CA -0.548 57.523 58.000 0.119 0.000 1.161 156 F CB 0.058 39.172 39.000 0.190 0.000 1.265 156 F HN 0.449 nan 8.300 nan 0.000 0.530 157 H N 1.101 120.452 119.070 0.468 0.000 2.928 157 H HA -0.024 4.535 4.556 0.005 0.000 0.338 157 H C 0.562 176.102 175.328 0.352 0.000 1.047 157 H CA -0.095 56.199 56.048 0.410 0.000 1.435 157 H CB 1.189 31.144 29.762 0.322 0.000 1.428 157 H HN 0.491 nan 8.280 nan 0.000 0.590 158 S N 4.289 120.207 115.700 0.363 0.000 2.537 158 S HA -0.006 4.467 4.470 0.005 0.000 0.286 158 S C -1.229 173.536 174.600 0.275 0.000 1.299 158 S CA -1.237 57.135 58.200 0.286 0.000 1.067 158 S CB 0.641 63.958 63.200 0.195 0.000 0.864 158 S HN 0.497 nan 8.310 nan 0.000 0.494 159 P HA -0.066 nan 4.420 nan 0.000 0.223 159 P C 1.488 178.925 177.300 0.228 0.000 1.151 159 P CA 0.591 63.914 63.100 0.373 0.000 0.787 159 P CB -0.033 31.870 31.700 0.340 0.000 0.788 160 I N 1.421 122.081 120.570 0.150 0.000 2.110 160 I HA -0.190 3.983 4.170 0.005 0.000 0.236 160 I C 2.782 178.929 176.117 0.049 0.000 1.068 160 I CA 1.755 63.106 61.300 0.085 0.000 1.333 160 I CB -1.633 36.398 38.000 0.052 0.000 1.054 160 I HN 0.053 nan 8.210 nan 0.000 0.402 161 R N 1.363 121.900 120.500 0.060 0.000 2.148 161 R HA -0.193 4.149 4.340 0.005 0.000 0.227 161 R C 2.067 178.359 176.300 -0.013 0.000 1.103 161 R CA 1.421 57.545 56.100 0.040 0.000 0.983 161 R CB -0.755 29.589 30.300 0.073 0.000 0.874 161 R HN 0.245 nan 8.270 nan 0.000 0.451 162 Q N 0.629 120.394 119.800 -0.058 0.000 2.170 162 Q HA -0.096 4.247 4.340 0.005 0.000 0.203 162 Q C 1.510 177.372 176.000 -0.229 0.000 0.976 162 Q CA 2.337 57.993 55.803 -0.244 0.000 0.858 162 Q CB -0.002 28.400 28.738 -0.560 0.000 0.907 162 Q HN 0.658 nan 8.270 nan 0.000 0.433 163 T N -3.315 111.174 114.554 -0.110 0.000 3.022 163 T HA 0.185 4.537 4.350 0.005 0.000 0.250 163 T C 1.649 176.316 174.700 -0.056 0.000 1.060 163 T CA -0.074 61.985 62.100 -0.069 0.000 1.013 163 T CB -0.112 68.815 68.868 0.098 0.000 0.982 163 T HN 0.175 nan 8.240 nan 0.000 0.508 164 L N 1.307 122.520 121.223 -0.018 0.000 2.051 164 L HA -0.039 4.304 4.340 0.005 0.000 0.214 164 L C -0.453 176.428 176.870 0.019 0.000 1.076 164 L CA 1.712 56.568 54.840 0.026 0.000 0.758 164 L CB -1.392 40.684 42.059 0.028 0.000 0.890 164 L HN 0.266 nan 8.230 nan 0.000 0.433 165 P HA -0.171 nan 4.420 nan 0.000 0.217 165 P C 1.478 178.688 177.300 -0.151 0.000 1.151 165 P CA 1.055 64.108 63.100 -0.077 0.000 0.828 165 P CB 0.041 31.690 31.700 -0.086 0.000 0.788 166 Q N -1.436 118.222 119.800 -0.237 0.000 2.096 166 Q HA -0.238 4.105 4.340 0.005 0.000 0.204 166 Q C 2.134 177.758 176.000 -0.626 0.000 0.982 166 Q CA 1.438 56.973 55.803 -0.447 0.000 0.850 166 Q CB -0.631 27.753 28.738 -0.591 0.000 0.901 166 Q HN 0.175 nan 8.270 nan 0.000 0.422 167 Y N 0.023 119.969 120.300 -0.591 0.000 2.145 167 Y HA -0.208 4.344 4.550 0.005 0.000 0.286 167 Y C 1.991 177.785 175.900 -0.176 0.000 1.145 167 Y CA 1.650 59.555 58.100 -0.325 0.000 1.148 167 Y CB -0.505 37.911 38.460 -0.074 0.000 0.981 167 Y HN 0.185 nan 8.280 nan 0.000 0.507 168 A N -0.510 122.209 122.820 -0.168 0.000 1.972 168 A HA -0.162 4.161 4.320 0.005 0.000 0.219 168 A C 2.352 179.797 177.584 -0.231 0.000 1.169 168 A CA 1.831 53.757 52.037 -0.186 0.000 0.635 168 A CB -1.234 17.747 19.000 -0.033 0.000 0.810 168 A HN 0.580 nan 8.150 nan 0.000 0.446 169 S N -0.538 115.026 115.700 -0.227 0.000 2.561 169 S HA -0.061 4.412 4.470 0.005 0.000 0.225 169 S C 1.430 175.898 174.600 -0.220 0.000 0.977 169 S CA 1.052 59.139 58.200 -0.190 0.000 0.926 169 S CB -0.485 62.619 63.200 -0.160 0.000 0.769 169 S HN 0.548 nan 8.310 nan 0.000 0.533 170 N N 1.467 119.967 118.700 -0.333 0.000 2.376 170 N HA 0.156 4.899 4.740 0.005 0.000 0.177 170 N C 1.327 176.630 175.510 -0.345 0.000 1.024 170 N CA 1.034 53.869 53.050 -0.359 0.000 0.893 170 N CB -0.382 37.857 38.487 -0.413 0.000 0.980 170 N HN 0.568 nan 8.380 nan 0.000 0.439 171 G N -0.509 108.119 108.800 -0.287 0.000 2.179 171 G HA2 -0.248 3.715 3.960 0.005 0.000 0.257 171 G HA3 -0.248 3.715 3.960 0.005 0.000 0.257 171 G C -0.122 174.802 174.900 0.039 0.000 1.010 171 G CA 1.056 46.089 45.100 -0.112 0.000 0.736 171 G HN 0.617 nan 8.290 nan 0.000 0.513 172 F N -2.955 116.923 119.950 -0.120 0.000 2.793 172 F HA 0.643 5.172 4.527 0.005 0.000 0.316 172 F C -1.323 174.479 175.800 0.004 0.000 1.147 172 F CA -1.939 56.045 58.000 -0.026 0.000 0.930 172 F CB 0.468 39.507 39.000 0.064 0.000 1.277 172 F HN 0.002 nan 8.300 nan 0.000 0.443 173 N N 1.610 120.556 118.700 0.409 0.000 2.425 173 N HA 0.318 5.061 4.740 0.005 0.000 0.268 173 N C -1.443 174.394 175.510 0.545 0.000 0.991 173 N CA -0.448 52.860 53.050 0.431 0.000 0.931 173 N CB 0.522 39.197 38.487 0.314 0.000 1.130 173 N HN 0.642 nan 8.380 nan 0.000 0.493 174 Y N 3.214 123.747 120.300 0.388 0.000 2.610 174 Y HA 0.099 4.652 4.550 0.005 0.000 0.332 174 Y C -1.179 174.880 175.900 0.266 0.000 1.201 174 Y CA -1.006 57.234 58.100 0.234 0.000 1.465 174 Y CB 0.615 39.029 38.460 -0.078 0.000 1.283 174 Y HN 0.463 nan 8.280 nan 0.000 0.563 175 P HA 0.124 nan 4.420 nan 0.000 0.220 175 P C -0.741 176.583 177.300 0.039 0.000 1.806 175 P CA 0.030 63.233 63.100 0.172 0.000 0.976 175 P CB -0.323 31.333 31.700 -0.073 0.000 1.952 176 A N 1.572 124.304 122.820 -0.145 0.000 3.056 176 A HA 0.151 4.474 4.320 0.005 0.000 0.274 176 A C 1.186 178.351 177.584 -0.698 0.000 1.661 176 A CA -0.320 51.492 52.037 -0.376 0.000 1.363 176 A CB -0.506 18.276 19.000 -0.363 0.000 1.139 176 A HN 0.087 nan 8.150 nan 0.000 0.598 177 D N 0.796 120.951 120.400 -0.409 0.000 2.239 177 D HA -0.171 4.472 4.640 0.005 0.000 0.202 177 D C 1.216 177.294 176.300 -0.371 0.000 0.993 177 D CA 1.319 55.122 54.000 -0.327 0.000 0.874 177 D CB 0.100 40.797 40.800 -0.172 0.000 0.922 177 D HN 0.565 nan 8.370 nan 0.000 0.464 178 N N 0.750 119.083 118.700 -0.612 0.000 2.463 178 N HA -0.091 4.652 4.740 0.005 0.000 0.181 178 N C 0.201 175.243 175.510 -0.779 0.000 1.078 178 N CA 0.254 52.779 53.050 -0.874 0.000 0.902 178 N CB 0.189 37.533 38.487 -1.903 0.000 0.970 178 N HN 0.148 nan 8.380 nan 0.000 0.451 179 D N 1.193 121.284 120.400 -0.515 0.000 2.359 179 D HA -0.017 4.626 4.640 0.005 0.000 0.250 179 D C -0.460 175.828 176.300 -0.020 0.000 1.264 179 D CA -0.032 53.820 54.000 -0.248 0.000 0.911 179 D CB -0.237 40.422 40.800 -0.236 0.000 1.056 179 D HN 0.269 nan 8.370 nan 0.000 0.499 180 H N 4.272 123.379 119.070 0.062 0.000 2.923 180 H HA 0.175 4.734 4.556 0.005 0.000 0.251 180 H C 0.065 175.502 175.328 0.181 0.000 1.741 180 H CA -0.236 55.857 56.048 0.074 0.000 1.387 180 H CB 0.093 29.855 29.762 0.000 0.000 1.740 180 H HN 0.336 nan 8.280 nan 0.000 0.544 181 H N 0.803 120.002 119.070 0.216 0.000 3.037 181 H HA -0.021 4.538 4.556 0.005 0.000 0.336 181 H C 0.577 175.956 175.328 0.085 0.000 1.323 181 H CA -0.468 55.658 56.048 0.129 0.000 1.159 181 H CB 1.631 31.467 29.762 0.124 0.000 1.882 181 H HN 0.570 nan 8.280 nan 0.000 0.535 182 E N 2.267 122.377 120.200 -0.150 0.000 2.085 182 E HA -0.094 4.259 4.350 0.005 0.000 0.194 182 E C -0.470 176.033 176.600 -0.162 0.000 0.994 182 E CA 1.001 57.327 56.400 -0.125 0.000 0.801 182 E CB 0.252 29.845 29.700 -0.179 0.000 0.743 182 E HN 0.341 nan 8.360 nan 0.000 0.453 183 K N 0.477 120.948 120.400 0.118 0.000 2.213 183 K HA 0.234 4.557 4.320 0.005 0.000 0.270 183 K C -1.207 175.301 176.600 -0.154 0.000 1.002 183 K CA -0.332 55.776 56.287 -0.299 0.000 0.868 183 K CB 1.132 33.264 32.500 -0.613 0.000 1.093 183 K HN 0.212 nan 8.250 nan 0.000 0.454 184 H N 3.690 122.752 119.070 -0.015 0.000 2.882 184 H HA 0.093 4.652 4.556 0.005 0.000 0.258 184 H C 0.654 175.957 175.328 -0.041 0.000 1.579 184 H CA -0.368 55.672 56.048 -0.014 0.000 1.340 184 H CB 0.065 29.841 29.762 0.023 0.000 1.645 184 H HN 0.372 nan 8.280 nan 0.000 0.541 185 L N 0.948 122.183 121.223 0.019 0.000 2.492 185 L HA -0.071 4.272 4.340 0.005 0.000 0.223 185 L C 2.268 179.085 176.870 -0.088 0.000 1.132 185 L CA 0.314 55.229 54.840 0.125 0.000 0.850 185 L CB -0.112 42.008 42.059 0.101 0.000 0.966 185 L HN 0.559 nan 8.230 nan 0.000 0.454 186 S N 0.298 115.679 115.700 -0.532 0.000 2.400 186 S HA -0.164 4.309 4.470 0.005 0.000 0.232 186 S C 1.889 176.259 174.600 -0.382 0.000 1.025 186 S CA 1.244 58.854 58.200 -0.983 0.000 0.993 186 S CB -0.990 61.540 63.200 -1.117 0.000 0.808 186 S HN 0.371 nan 8.310 nan 0.000 0.478 187 V N -2.221 117.424 119.914 -0.449 0.000 3.217 187 V HA 0.200 4.323 4.120 0.005 0.000 0.264 187 V C 1.722 177.537 176.094 -0.466 0.000 1.135 187 V CA 0.799 62.772 62.300 -0.545 0.000 1.142 187 V CB -1.421 29.727 31.823 -1.124 0.000 0.754 187 V HN 0.372 nan 8.190 nan 0.000 0.484 188 F N 0.967 120.869 119.950 -0.079 0.000 2.743 188 F HA 0.363 4.893 4.527 0.005 0.000 0.297 188 F C 1.360 177.318 175.800 0.262 0.000 1.131 188 F CA 0.136 58.145 58.000 0.015 0.000 1.426 188 F CB -0.153 38.866 39.000 0.031 0.000 1.116 188 F HN 0.062 nan 8.300 nan 0.000 0.583 189 S N 0.747 116.683 115.700 0.392 0.000 2.475 189 S HA 0.437 4.910 4.470 0.005 0.000 0.298 189 S C 0.162 174.947 174.600 0.308 0.000 1.119 189 S CA -0.806 57.629 58.200 0.392 0.000 1.085 189 S CB 1.137 64.577 63.200 0.401 0.000 1.028 189 S HN -0.055 nan 8.310 nan 0.000 0.489 190 R N 3.138 123.751 120.500 0.189 0.000 3.266 190 R HA 0.316 4.659 4.340 0.005 0.000 0.224 190 R C -0.204 175.926 176.300 -0.283 0.000 1.525 190 R CA -0.045 56.098 56.100 0.071 0.000 1.364 190 R CB -0.830 29.512 30.300 0.070 0.000 1.276 190 R HN 0.517 nan 8.270 nan 0.000 0.660 191 K N -0.110 120.180 120.400 -0.183 0.000 2.525 191 K HA 0.409 4.732 4.320 0.005 0.000 0.254 191 K C -0.946 175.672 176.600 0.029 0.000 0.934 191 K CA -0.665 55.444 56.287 -0.298 0.000 0.802 191 K CB 2.038 34.519 32.500 -0.032 0.000 1.295 191 K HN 0.383 nan 8.250 nan 0.000 0.433 192 A N 5.477 128.305 122.820 0.014 0.000 2.550 192 A HA -0.002 4.320 4.320 0.005 0.000 0.273 192 A C -1.918 175.876 177.584 0.349 0.000 1.017 192 A CA -0.403 51.828 52.037 0.323 0.000 0.910 192 A CB -0.488 18.682 19.000 0.284 0.000 0.891 192 A HN 0.627 nan 8.150 nan 0.000 0.507 193 P HA -0.235 nan 4.420 nan 0.000 0.216 193 P C 1.308 178.906 177.300 0.496 0.000 1.153 193 P CA 2.007 65.338 63.100 0.386 0.000 0.858 193 P CB -0.165 31.708 31.700 0.288 0.000 0.789 194 Y N -0.389 120.026 120.300 0.191 0.000 2.483 194 Y HA -0.147 4.406 4.550 0.005 0.000 0.291 194 Y C 2.075 178.056 175.900 0.135 0.000 1.143 194 Y CA 1.015 59.236 58.100 0.202 0.000 1.289 194 Y CB -1.375 37.181 38.460 0.161 0.000 0.983 194 Y HN -0.021 nan 8.280 nan 0.000 0.556 195 S N -0.400 114.989 115.700 -0.517 0.000 2.423 195 S HA -0.238 4.235 4.470 0.005 0.000 0.231 195 S C 1.240 175.583 174.600 -0.428 0.000 1.014 195 S CA 0.924 58.712 58.200 -0.687 0.000 0.965 195 S CB -1.259 61.581 63.200 -0.601 0.000 0.785 195 S HN 0.660 nan 8.310 nan 0.000 0.495 196 Y N 2.825 123.004 120.300 -0.201 0.000 2.553 196 Y HA 0.408 4.961 4.550 0.005 0.000 0.303 196 Y C 1.483 177.244 175.900 -0.231 0.000 1.194 196 Y CA 0.234 58.243 58.100 -0.152 0.000 1.305 196 Y CB -0.434 37.979 38.460 -0.078 0.000 1.045 196 Y HN 0.602 nan 8.280 nan 0.000 0.514 197 G N -0.900 107.798 108.800 -0.171 0.000 2.576 197 G HA2 -0.031 3.932 3.960 0.005 0.000 0.686 197 G HA3 -0.031 3.932 3.960 0.005 0.000 0.686 197 G C -1.382 173.296 174.900 -0.369 0.000 1.242 197 G CA -0.935 43.903 45.100 -0.437 0.000 0.819 197 G HN 0.136 nan 8.290 nan 0.000 0.655 198 W N 0.385 121.319 121.300 -0.610 0.000 2.982 198 W HA 0.312 4.975 4.660 0.005 0.000 0.344 198 W C -0.097 176.191 176.519 -0.385 0.000 1.215 198 W CA 0.245 57.218 57.345 -0.621 0.000 1.182 198 W CB 1.231 30.030 29.460 -1.101 0.000 1.437 198 W HN 0.828 nan 8.180 nan 0.000 0.570 199 D N -0.488 119.762 120.400 -0.250 0.000 2.338 199 D HA -0.070 4.572 4.640 0.005 0.000 0.239 199 D C 0.927 177.458 176.300 0.385 0.000 1.095 199 D CA 0.629 54.687 54.000 0.097 0.000 0.888 199 D CB -0.551 40.351 40.800 0.171 0.000 0.899 199 D HN 0.422 nan 8.370 nan 0.000 0.525 200 W N -1.795 119.824 121.300 0.531 0.000 1.780 200 W HA 0.549 5.212 4.660 0.005 0.000 0.256 200 W C -0.188 176.656 176.519 0.541 0.000 0.844 200 W CA -0.861 56.769 57.345 0.474 0.000 1.227 200 W CB 0.103 29.851 29.460 0.481 0.000 1.006 200 W HN -0.001 nan 8.180 nan 0.000 0.493 201 G N 1.774 110.839 108.800 0.443 0.000 2.533 201 G HA2 0.575 4.538 3.960 0.005 0.000 0.304 201 G HA3 0.575 4.538 3.960 0.005 0.000 0.304 201 G C -1.472 173.275 174.900 -0.256 0.000 1.263 201 G CA -0.943 44.298 45.100 0.235 0.000 0.964 201 G HN 0.103 nan 8.290 nan 0.000 0.479 202 I N 0.371 120.310 120.570 -1.052 0.000 2.472 202 I HA 0.411 4.584 4.170 0.005 0.000 0.290 202 I C 0.719 176.526 176.117 -0.517 0.000 1.016 202 I CA -0.952 59.737 61.300 -1.018 0.000 1.348 202 I CB 0.845 37.847 38.000 -1.663 0.000 1.417 202 I HN 0.490 nan 8.210 nan 0.000 0.521 203 R N 8.244 128.558 120.500 -0.311 0.000 2.288 203 R HA 0.342 4.685 4.340 0.005 0.000 0.330 203 R C -1.230 174.883 176.300 -0.313 0.000 1.069 203 R CA 0.175 56.129 56.100 -0.245 0.000 0.941 203 R CB 0.338 30.588 30.300 -0.084 0.000 0.998 203 R HN 0.688 nan 8.270 nan 0.000 0.452 204 M N 5.732 125.082 119.600 -0.416 0.000 1.988 204 M HA 0.154 4.637 4.480 0.005 0.000 0.243 204 M C -1.074 174.896 176.300 -0.551 0.000 0.897 204 M CA -0.637 54.343 55.300 -0.534 0.000 0.935 204 M CB 2.120 34.334 32.600 -0.644 0.000 1.956 204 M HN 0.271 nan 8.290 nan 0.000 0.389 205 V N 1.693 121.350 119.914 -0.429 0.000 2.242 205 V HA 0.065 4.188 4.120 0.005 0.000 0.242 205 V C 0.797 176.731 176.094 -0.267 0.000 1.240 205 V CA 0.474 62.498 62.300 -0.461 0.000 1.211 205 V CB -0.001 31.521 31.823 -0.502 0.000 1.338 205 V HN 0.723 nan 8.190 nan 0.000 0.499 206 T N 3.126 117.490 114.554 -0.316 0.000 2.852 206 T HA 0.603 4.956 4.350 0.005 0.000 0.281 206 T C 0.155 174.722 174.700 -0.222 0.000 0.993 206 T CA -0.173 61.816 62.100 -0.184 0.000 0.933 206 T CB 1.275 70.010 68.868 -0.221 0.000 1.187 206 T HN 0.622 nan 8.240 nan 0.000 0.559 207 S N -1.260 114.268 115.700 -0.287 0.000 2.607 207 S HA 0.855 5.327 4.470 0.005 0.000 0.273 207 S C -0.326 173.878 174.600 -0.660 0.000 1.148 207 S CA -0.139 57.822 58.200 -0.398 0.000 0.833 207 S CB 1.738 64.774 63.200 -0.274 0.000 1.130 207 S HN 1.318 nan 8.310 nan 0.000 0.470 208 G N -0.334 107.810 108.800 -1.094 0.000 2.369 208 G HA2 0.226 4.189 3.960 0.005 0.000 0.307 208 G HA3 0.226 4.189 3.960 0.005 0.000 0.307 208 G C -1.738 172.751 174.900 -0.686 0.000 1.327 208 G CA -0.700 43.628 45.100 -1.286 0.000 0.963 208 G HN 0.865 nan 8.290 nan 0.000 0.590 209 V N 2.428 122.036 119.914 -0.510 0.000 2.326 209 V HA 0.205 4.328 4.120 0.005 0.000 0.249 209 V C 1.378 177.427 176.094 -0.075 0.000 1.114 209 V CA 0.385 62.605 62.300 -0.133 0.000 1.028 209 V CB -0.319 31.317 31.823 -0.312 0.000 1.170 209 V HN 0.784 nan 8.190 nan 0.000 0.494 210 W N 5.298 126.525 121.300 -0.121 0.000 3.197 210 W HA 0.320 4.983 4.660 0.005 0.000 0.274 210 W C 0.312 176.829 176.519 -0.004 0.000 1.297 210 W CA -0.579 56.715 57.345 -0.085 0.000 1.662 210 W CB 0.117 29.536 29.460 -0.067 0.000 1.106 210 W HN 0.346 nan 8.180 nan 0.000 0.663 211 R N 0.079 120.313 120.500 -0.442 0.000 2.869 211 R HA 0.443 4.786 4.340 0.005 0.000 0.263 211 R C -2.627 173.564 176.300 -0.181 0.000 1.066 211 R CA -2.071 53.791 56.100 -0.396 0.000 0.960 211 R CB 1.142 31.062 30.300 -0.633 0.000 1.221 211 R HN -0.394 nan 8.270 nan 0.000 0.474 212 P HA 0.079 nan 4.420 nan 0.000 0.272 212 P C -0.924 176.332 177.300 -0.073 0.000 1.223 212 P CA -0.313 62.743 63.100 -0.073 0.000 0.784 212 P CB 0.604 32.272 31.700 -0.054 0.000 0.923 213 V N 1.910 121.783 119.914 -0.068 0.000 2.370 213 V HA 0.475 4.598 4.120 0.005 0.000 0.283 213 V C 0.479 176.473 176.094 -0.167 0.000 1.023 213 V CA -0.144 62.044 62.300 -0.186 0.000 0.857 213 V CB 1.078 32.856 31.823 -0.076 0.000 0.985 213 V HN 0.573 nan 8.190 nan 0.000 0.443 214 T N 5.193 119.608 114.554 -0.231 0.000 2.887 214 T HA 0.746 5.099 4.350 0.005 0.000 0.288 214 T C -1.382 173.173 174.700 -0.241 0.000 1.021 214 T CA -0.523 61.471 62.100 -0.177 0.000 1.000 214 T CB 1.507 70.308 68.868 -0.112 0.000 1.034 214 T HN 0.437 nan 8.240 nan 0.000 0.467 215 L N 3.882 124.965 121.223 -0.233 0.000 2.349 215 L HA 0.683 5.026 4.340 0.005 0.000 0.278 215 L C -0.416 176.238 176.870 -0.360 0.000 0.996 215 L CA -0.480 54.153 54.840 -0.345 0.000 0.825 215 L CB 1.509 43.309 42.059 -0.432 0.000 1.243 215 L HN 0.738 nan 8.230 nan 0.000 0.412 216 R N 4.554 124.826 120.500 -0.381 0.000 2.409 216 R HA 0.540 4.883 4.340 0.005 0.000 0.313 216 R C -1.779 174.422 176.300 -0.166 0.000 0.953 216 R CA -0.431 55.555 56.100 -0.191 0.000 0.849 216 R CB 0.720 30.992 30.300 -0.046 0.000 1.171 216 R HN 0.490 nan 8.270 nan 0.000 0.458 217 F N 6.148 126.191 119.950 0.155 0.000 2.385 217 F HA 0.392 4.922 4.527 0.005 0.000 0.360 217 F C -0.339 175.553 175.800 0.153 0.000 1.122 217 F CA -0.601 57.454 58.000 0.092 0.000 1.090 217 F CB 0.911 39.932 39.000 0.035 0.000 1.150 217 F HN 0.458 nan 8.300 nan 0.000 0.472 218 Y N -0.647 119.734 120.300 0.134 0.000 2.655 218 Y HA 0.674 5.227 4.550 0.005 0.000 0.336 218 Y C -1.488 174.449 175.900 0.061 0.000 1.154 218 Y CA -1.599 56.547 58.100 0.078 0.000 1.055 218 Y CB 1.256 39.737 38.460 0.035 0.000 1.295 218 Y HN 0.333 nan 8.280 nan 0.000 0.465 219 D N 2.244 122.752 120.400 0.179 0.000 2.252 219 D HA 0.404 5.047 4.640 0.005 0.000 0.245 219 D C 0.636 177.051 176.300 0.191 0.000 1.009 219 D CA -0.117 53.932 54.000 0.081 0.000 0.870 219 D CB 2.054 42.887 40.800 0.054 0.000 1.251 219 D HN 0.751 nan 8.370 nan 0.000 0.460 220 I N -0.791 119.845 120.570 0.110 0.000 4.519 220 I HA -0.365 3.808 4.170 0.005 0.000 0.056 220 I C 0.454 176.683 176.117 0.186 0.000 0.610 220 I CA 1.573 62.944 61.300 0.118 0.000 0.951 220 I CB -2.003 36.044 38.000 0.079 0.000 0.858 220 I HN 0.667 nan 8.210 nan 0.000 0.164 221 A N 0.308 123.286 122.820 0.263 0.000 2.599 221 A HA 0.704 5.026 4.320 0.005 0.000 0.294 221 A C -0.084 177.459 177.584 -0.069 0.000 1.055 221 A CA 0.314 52.434 52.037 0.138 0.000 0.683 221 A CB 1.310 20.334 19.000 0.040 0.000 1.278 221 A HN 0.643 nan 8.150 nan 0.000 0.412 222 T N -0.883 113.515 114.554 -0.260 0.000 2.940 222 T HA 0.745 5.098 4.350 0.005 0.000 0.288 222 T C -0.220 174.375 174.700 -0.174 0.000 1.033 222 T CA -0.576 61.315 62.100 -0.350 0.000 1.033 222 T CB 0.969 69.506 68.868 -0.553 0.000 1.079 222 T HN 0.539 nan 8.240 nan 0.000 0.496 223 I N 2.939 123.422 120.570 -0.146 0.000 2.301 223 I HA 0.142 4.314 4.170 0.005 0.000 0.292 223 I C 1.368 177.444 176.117 -0.068 0.000 1.046 223 I CA -0.524 60.721 61.300 -0.091 0.000 1.282 223 I CB 1.233 39.182 38.000 -0.084 0.000 1.409 223 I HN 0.923 nan 8.210 nan 0.000 0.484 224 S N 2.731 118.401 115.700 -0.050 0.000 2.496 224 S HA 0.046 4.519 4.470 0.005 0.000 0.224 224 S C 0.222 174.828 174.600 0.010 0.000 0.996 224 S CA -0.022 58.162 58.200 -0.027 0.000 0.927 224 S CB -0.073 63.112 63.200 -0.024 0.000 0.774 224 S HN 0.736 nan 8.310 nan 0.000 0.524 225 D N -0.822 119.605 120.400 0.044 0.000 2.886 225 D HA 0.416 5.059 4.640 0.005 0.000 0.216 225 D C -2.204 174.228 176.300 0.220 0.000 1.256 225 D CA -0.507 53.556 54.000 0.105 0.000 0.844 225 D CB 1.287 42.133 40.800 0.075 0.000 1.669 225 D HN 0.065 nan 8.370 nan 0.000 0.513 226 Y N 4.087 124.471 120.300 0.140 0.000 2.327 226 Y HA 0.497 5.050 4.550 0.005 0.000 0.325 226 Y C -2.255 173.832 175.900 0.313 0.000 0.999 226 Y CA -1.237 56.979 58.100 0.194 0.000 1.195 226 Y CB 0.559 39.081 38.460 0.103 0.000 1.132 226 Y HN 0.394 nan 8.280 nan 0.000 0.455 227 Y N 6.138 126.543 120.300 0.174 0.000 2.328 227 Y HA 0.636 5.189 4.550 0.005 0.000 0.337 227 Y C -1.453 174.357 175.900 -0.149 0.000 0.966 227 Y CA -1.754 56.293 58.100 -0.089 0.000 1.136 227 Y CB 1.399 39.851 38.460 -0.014 0.000 1.170 227 Y HN 0.327 nan 8.280 nan 0.000 0.470 228 V N 8.234 127.874 119.914 -0.456 0.000 2.304 228 V HA 0.386 4.508 4.120 0.005 0.000 0.269 228 V C 0.082 175.729 176.094 -0.746 0.000 1.036 228 V CA -0.664 61.305 62.300 -0.552 0.000 0.840 228 V CB 0.479 31.895 31.823 -0.678 0.000 1.036 228 V HN 0.676 nan 8.190 nan 0.000 0.466 229 R N 4.189 124.207 120.500 -0.804 0.000 2.207 229 R HA 0.300 4.643 4.340 0.005 0.000 0.334 229 R C 0.019 176.106 176.300 -0.355 0.000 1.013 229 R CA -0.433 55.211 56.100 -0.759 0.000 0.858 229 R CB 0.789 30.624 30.300 -0.775 0.000 1.094 229 R HN 0.765 nan 8.270 nan 0.000 0.457 230 Q N 4.791 124.431 119.800 -0.267 0.000 2.296 230 Q HA 0.067 4.410 4.340 0.005 0.000 0.263 230 Q C 0.354 176.291 176.000 -0.104 0.000 1.026 230 Q CA -0.086 55.621 55.803 -0.160 0.000 0.912 230 Q CB 0.957 29.615 28.738 -0.135 0.000 1.198 230 Q HN 0.764 nan 8.270 nan 0.000 0.407 231 L N 2.164 123.340 121.223 -0.079 0.000 2.200 231 L HA 0.140 4.483 4.340 0.005 0.000 0.200 231 L C 0.767 177.617 176.870 -0.033 0.000 1.072 231 L CA 0.298 55.107 54.840 -0.051 0.000 0.787 231 L CB 0.011 42.044 42.059 -0.043 0.000 0.957 231 L HN 0.627 nan 8.230 nan 0.000 0.459 232 S N -0.727 114.956 115.700 -0.028 0.000 2.607 232 S HA 0.699 5.172 4.470 0.005 0.000 0.273 232 S C -1.235 173.358 174.600 -0.011 0.000 1.148 232 S CA -0.753 57.438 58.200 -0.015 0.000 0.833 232 S CB 2.704 65.899 63.200 -0.008 0.000 1.130 232 S HN 0.013 nan 8.310 nan 0.000 0.470 233 L N 1.585 122.809 121.223 0.001 0.000 2.562 233 L HA 0.773 5.116 4.340 0.005 0.000 0.266 233 L C -0.558 176.325 176.870 0.022 0.000 0.949 233 L CA 0.357 55.204 54.840 0.012 0.000 0.879 233 L CB 1.793 43.862 42.059 0.017 0.000 1.278 233 L HN 1.247 nan 8.230 nan 0.000 0.404 234 T N -0.850 113.718 114.554 0.024 0.000 2.864 234 T HA 0.453 4.806 4.350 0.005 0.000 0.289 234 T C 0.320 175.040 174.700 0.034 0.000 1.082 234 T CA -0.527 61.589 62.100 0.027 0.000 1.009 234 T CB 1.299 70.179 68.868 0.020 0.000 1.234 234 T HN 0.452 nan 8.240 nan 0.000 0.526 235 D N 0.368 120.789 120.400 0.034 0.000 2.221 235 D HA -0.058 4.585 4.640 0.005 0.000 0.204 235 D C 1.580 177.901 176.300 0.036 0.000 0.982 235 D CA 1.355 55.378 54.000 0.037 0.000 0.857 235 D CB 0.035 40.853 40.800 0.030 0.000 0.934 235 D HN 0.676 nan 8.370 nan 0.000 0.475 236 E N -0.463 119.754 120.200 0.028 0.000 2.190 236 E HA 0.085 4.438 4.350 0.005 0.000 0.191 236 E C 0.231 176.846 176.600 0.024 0.000 0.978 236 E CA 0.334 56.749 56.400 0.025 0.000 0.839 236 E CB 0.305 30.016 29.700 0.019 0.000 0.787 236 E HN 0.027 nan 8.360 nan 0.000 0.473 237 N N -0.873 117.840 118.700 0.021 0.000 2.452 237 N HA 0.470 5.213 4.740 0.005 0.000 0.277 237 N C -1.988 173.527 175.510 0.008 0.000 1.078 237 N CA -0.306 52.753 53.050 0.014 0.000 0.947 237 N CB 1.595 40.087 38.487 0.009 0.000 1.655 237 N HN -0.002 nan 8.380 nan 0.000 0.490 238 A N 2.849 125.669 122.820 -0.001 0.000 2.288 238 A HA 0.708 5.030 4.320 0.005 0.000 0.320 238 A C -0.439 177.137 177.584 -0.013 0.000 1.217 238 A CA -0.536 51.493 52.037 -0.013 0.000 0.840 238 A CB 0.425 19.404 19.000 -0.036 0.000 1.179 238 A HN 0.634 nan 8.150 nan 0.000 0.504 239 R N 2.482 122.973 120.500 -0.015 0.000 2.295 239 R HA 0.606 4.949 4.340 0.005 0.000 0.324 239 R C -1.104 175.181 176.300 -0.025 0.000 0.968 239 R CA -0.624 55.468 56.100 -0.013 0.000 0.837 239 R CB 1.229 31.521 30.300 -0.012 0.000 1.133 239 R HN 0.480 nan 8.270 nan 0.000 0.450 240 L N 0.853 122.072 121.223 -0.008 0.000 2.323 240 L HA 0.494 4.837 4.340 0.005 0.000 0.265 240 L C 0.046 176.906 176.870 -0.017 0.000 1.012 240 L CA -0.609 54.216 54.840 -0.024 0.000 0.820 240 L CB 1.833 43.917 42.059 0.042 0.000 1.334 240 L HN 0.530 nan 8.230 nan 0.000 0.427 241 S N 1.656 117.314 115.700 -0.069 0.000 2.669 241 S HA 0.431 4.903 4.470 0.005 0.000 0.315 241 S C -0.566 174.010 174.600 -0.041 0.000 1.106 241 S CA -0.680 57.491 58.200 -0.049 0.000 1.107 241 S CB 0.084 63.235 63.200 -0.081 0.000 0.990 241 S HN 0.568 nan 8.310 nan 0.000 0.471 242 N N 4.714 123.462 118.700 0.079 0.000 2.402 242 N HA 0.121 4.864 4.740 0.005 0.000 0.252 242 N C -0.706 174.911 175.510 0.179 0.000 1.118 242 N CA 0.097 53.277 53.050 0.216 0.000 0.945 242 N CB 0.756 39.423 38.487 0.300 0.000 1.147 242 N HN 0.686 nan 8.380 nan 0.000 0.495 243 E N 2.709 123.036 120.200 0.212 0.000 2.145 243 E HA 0.416 4.769 4.350 0.005 0.000 0.270 243 E C -0.592 176.177 176.600 0.282 0.000 0.906 243 E CA -0.526 56.000 56.400 0.209 0.000 0.761 243 E CB 1.753 31.583 29.700 0.217 0.000 1.116 243 E HN 0.307 nan 8.360 nan 0.000 0.408 244 L N 3.796 125.128 121.223 0.182 0.000 2.386 244 L HA 0.546 4.889 4.340 0.005 0.000 0.271 244 L C -0.551 176.361 176.870 0.070 0.000 0.993 244 L CA -0.596 54.314 54.840 0.117 0.000 0.819 244 L CB 1.782 43.841 42.059 -0.000 0.000 1.294 244 L HN 0.452 nan 8.230 nan 0.000 0.414 245 I N 3.281 123.871 120.570 0.034 0.000 2.355 245 I HA 0.386 4.559 4.170 0.005 0.000 0.288 245 I C -0.792 175.275 176.117 -0.084 0.000 0.999 245 I CA -0.686 60.568 61.300 -0.076 0.000 1.163 245 I CB 1.827 39.810 38.000 -0.029 0.000 1.316 245 I HN 0.197 nan 8.210 nan 0.000 0.454 246 V N 5.599 125.442 119.914 -0.119 0.000 2.417 246 V HA 0.291 4.414 4.120 0.005 0.000 0.291 246 V C -0.101 175.943 176.094 -0.083 0.000 1.024 246 V CA -0.704 61.544 62.300 -0.087 0.000 0.861 246 V CB 1.766 33.548 31.823 -0.068 0.000 0.985 246 V HN 0.641 nan 8.190 nan 0.000 0.436 247 N N 4.228 122.892 118.700 -0.061 0.000 2.527 247 N HA 0.156 4.899 4.740 0.005 0.000 0.236 247 N C -0.374 175.144 175.510 0.014 0.000 0.999 247 N CA -0.150 52.883 53.050 -0.029 0.000 0.935 247 N CB 0.918 39.392 38.487 -0.021 0.000 1.132 247 N HN 0.689 nan 8.380 nan 0.000 0.511 248 Q N 3.807 123.621 119.800 0.022 0.000 2.274 248 Q HA 0.220 4.562 4.340 0.005 0.000 0.256 248 Q C 0.065 176.108 176.000 0.072 0.000 0.927 248 Q CA -0.218 55.617 55.803 0.052 0.000 0.939 248 Q CB 1.240 29.995 28.738 0.028 0.000 1.201 248 Q HN 0.728 nan 8.270 nan 0.000 0.426 249 I N 4.212 124.847 120.570 0.109 0.000 3.956 249 I HA 0.009 4.182 4.170 0.005 0.000 0.333 249 I C 0.042 176.184 176.117 0.042 0.000 1.302 249 I CA 0.107 61.462 61.300 0.092 0.000 1.122 249 I CB 0.902 38.989 38.000 0.144 0.000 1.013 249 I HN 0.410 nan 8.210 nan 0.000 0.405 250 V N -2.630 117.306 119.914 0.036 0.000 2.834 250 V HA 0.550 4.673 4.120 0.005 0.000 0.313 250 V C -1.838 174.266 176.094 0.018 0.000 1.060 250 V CA -1.446 60.865 62.300 0.018 0.000 0.989 250 V CB 0.637 32.469 31.823 0.014 0.000 1.041 250 V HN -0.086 nan 8.190 nan 0.000 0.459 251 P HA 0.039 nan 4.420 nan 0.000 0.223 251 P C 0.140 177.447 177.300 0.013 0.000 1.151 251 P CA 0.859 63.967 63.100 0.013 0.000 0.787 251 P CB 0.118 31.823 31.700 0.010 0.000 0.788 252 Q N -0.123 119.684 119.800 0.012 0.000 2.249 252 Q HA 0.308 4.651 4.340 0.005 0.000 0.226 252 Q C -0.079 175.928 176.000 0.013 0.000 0.983 252 Q CA -0.149 55.661 55.803 0.011 0.000 0.930 252 Q CB 0.385 29.129 28.738 0.010 0.000 1.193 252 Q HN -0.087 nan 8.270 nan 0.000 0.508 253 K N 1.014 121.420 120.400 0.011 0.000 2.276 253 K HA 0.349 4.672 4.320 0.005 0.000 0.285 253 K C -0.831 175.775 176.600 0.010 0.000 1.062 253 K CA -0.106 56.188 56.287 0.011 0.000 0.918 253 K CB 0.683 33.189 32.500 0.010 0.000 1.055 253 K HN 0.370 nan 8.250 nan 0.000 0.477 254 I N 5.590 126.167 120.570 0.011 0.000 2.382 254 I HA 0.279 4.452 4.170 0.005 0.000 0.285 254 I C -2.368 173.754 176.117 0.008 0.000 1.007 254 I CA -3.165 58.141 61.300 0.011 0.000 1.142 254 I CB 1.040 39.049 38.000 0.015 0.000 1.289 254 I HN 0.304 nan 8.210 nan 0.000 0.453 255 P HA 0.338 nan 4.420 nan 0.000 0.269 255 P C -0.642 176.660 177.300 0.003 0.000 1.209 255 P CA -0.061 63.042 63.100 0.004 0.000 0.776 255 P CB 0.993 32.695 31.700 0.003 0.000 0.876 256 A N 1.336 124.156 122.820 -0.000 0.000 2.594 256 A HA 0.517 4.840 4.320 0.005 0.000 0.295 256 A C -1.277 176.303 177.584 -0.008 0.000 1.071 256 A CA -0.560 51.474 52.037 -0.004 0.000 0.685 256 A CB 1.290 20.286 19.000 -0.006 0.000 1.285 256 A HN 0.501 nan 8.150 nan 0.000 0.405 257 E N 1.413 121.606 120.200 -0.011 0.000 2.145 257 E HA 0.551 4.904 4.350 0.005 0.000 0.270 257 E C -1.336 175.249 176.600 -0.024 0.000 0.906 257 E CA -0.511 55.880 56.400 -0.015 0.000 0.761 257 E CB 1.433 31.126 29.700 -0.013 0.000 1.116 257 E HN 0.441 nan 8.360 nan 0.000 0.408 258 V N 5.425 125.322 119.914 -0.029 0.000 2.432 258 V HA 0.386 4.509 4.120 0.005 0.000 0.275 258 V C 0.022 176.087 176.094 -0.047 0.000 1.043 258 V CA -0.336 61.937 62.300 -0.046 0.000 0.925 258 V CB 0.908 32.703 31.823 -0.047 0.000 0.985 258 V HN 0.659 nan 8.190 nan 0.000 0.466 259 R N 3.340 123.803 120.500 -0.061 0.000 2.670 259 R HA 0.786 5.129 4.340 0.005 0.000 0.289 259 R C -1.512 174.744 176.300 -0.073 0.000 0.965 259 R CA -0.728 55.340 56.100 -0.054 0.000 0.899 259 R CB 2.474 32.748 30.300 -0.043 0.000 1.173 259 R HN 0.474 nan 8.270 nan 0.000 0.456 260 V N 2.706 122.588 119.914 -0.053 0.000 2.409 260 V HA 0.317 4.439 4.120 0.005 0.000 0.291 260 V C -0.562 175.503 176.094 -0.048 0.000 1.020 260 V CA -0.868 61.408 62.300 -0.040 0.000 0.848 260 V CB 1.584 33.417 31.823 0.017 0.000 0.990 260 V HN 0.703 nan 8.190 nan 0.000 0.430 261 N N 4.001 122.671 118.700 -0.050 0.000 2.400 261 N HA 0.480 5.223 4.740 0.005 0.000 0.288 261 N C -1.373 174.048 175.510 -0.147 0.000 1.024 261 N CA -0.236 52.768 53.050 -0.077 0.000 0.894 261 N CB 2.217 40.677 38.487 -0.044 0.000 1.173 261 N HN 0.375 nan 8.380 nan 0.000 0.487 262 V N 2.562 122.338 119.914 -0.230 0.000 2.357 262 V HA 0.433 4.556 4.120 0.005 0.000 0.284 262 V C -0.225 175.792 176.094 -0.129 0.000 1.018 262 V CA -0.433 61.639 62.300 -0.380 0.000 0.841 262 V CB 1.075 32.496 31.823 -0.670 0.000 0.991 262 V HN 0.694 nan 8.190 nan 0.000 0.437 263 S N 4.920 120.600 115.700 -0.033 0.000 2.632 263 S HA 0.854 5.327 4.470 0.005 0.000 0.289 263 S C -1.228 173.396 174.600 0.039 0.000 1.115 263 S CA -0.667 57.544 58.200 0.017 0.000 0.889 263 S CB 2.274 65.478 63.200 0.006 0.000 1.116 263 S HN 0.471 nan 8.310 nan 0.000 0.486 264 L N 2.012 123.217 121.223 -0.031 0.000 2.439 264 L HA 0.513 4.856 4.340 0.005 0.000 0.270 264 L C -0.543 176.285 176.870 -0.071 0.000 0.972 264 L CA -0.008 54.754 54.840 -0.130 0.000 0.836 264 L CB 0.499 42.394 42.059 -0.273 0.000 1.255 264 L HN 0.825 nan 8.230 nan 0.000 0.404 265 N N 3.734 122.402 118.700 -0.052 0.000 2.710 265 N HA -0.194 4.549 4.740 0.005 0.000 0.249 265 N C 0.876 176.376 175.510 -0.015 0.000 1.059 265 N CA 1.064 54.097 53.050 -0.029 0.000 0.720 265 N CB -0.995 37.471 38.487 -0.034 0.000 0.983 265 N HN 1.259 nan 8.380 nan 0.000 0.544 266 G N -2.484 106.312 108.800 -0.008 0.000 2.157 266 G HA2 -0.295 3.668 3.960 0.005 0.000 0.248 266 G HA3 -0.295 3.668 3.960 0.005 0.000 0.248 266 G C 0.018 174.916 174.900 -0.004 0.000 0.979 266 G CA 0.479 45.578 45.100 -0.001 0.000 0.650 266 G HN 0.456 nan 8.290 nan 0.000 0.529 267 T N 1.460 116.009 114.554 -0.009 0.000 2.812 267 T HA 0.547 4.900 4.350 0.005 0.000 0.282 267 T C 0.286 174.983 174.700 -0.005 0.000 0.990 267 T CA 0.011 62.107 62.100 -0.007 0.000 0.960 267 T CB 1.687 70.550 68.868 -0.008 0.000 0.948 267 T HN 0.205 nan 8.240 nan 0.000 0.438 268 T N 3.081 117.631 114.554 -0.006 0.000 2.867 268 T HA 0.109 4.462 4.350 0.005 0.000 0.297 268 T C 1.435 176.134 174.700 -0.001 0.000 0.989 268 T CA -0.170 61.924 62.100 -0.010 0.000 1.159 268 T CB 0.549 69.408 68.868 -0.016 0.000 0.928 268 T HN 0.364 nan 8.240 nan 0.000 0.538 269 V N 2.606 122.522 119.914 0.004 0.000 2.521 269 V HA 0.180 4.303 4.120 0.005 0.000 0.239 269 V C 1.305 177.395 176.094 -0.007 0.000 1.053 269 V CA 0.901 63.217 62.300 0.026 0.000 1.073 269 V CB 0.501 32.387 31.823 0.105 0.000 0.746 269 V HN 0.915 nan 8.190 nan 0.000 0.476 270 T N -0.626 113.899 114.554 -0.049 0.000 2.900 270 T HA 0.557 4.909 4.350 0.005 0.000 0.303 270 T C -1.691 172.964 174.700 -0.076 0.000 1.142 270 T CA -0.490 61.575 62.100 -0.058 0.000 1.007 270 T CB 2.299 71.129 68.868 -0.064 0.000 1.156 270 T HN 0.337 nan 8.240 nan 0.000 0.490 271 E N 1.604 121.772 120.200 -0.053 0.000 2.290 271 E HA 0.630 4.983 4.350 0.005 0.000 0.274 271 E C -1.228 175.350 176.600 -0.035 0.000 0.889 271 E CA -0.861 55.510 56.400 -0.049 0.000 0.760 271 E CB 1.948 31.626 29.700 -0.037 0.000 1.206 271 E HN 0.671 nan 8.360 nan 0.000 0.419 272 V N 0.780 120.674 119.914 -0.033 0.000 3.040 272 V HA 0.781 4.904 4.120 0.005 0.000 0.312 272 V C -0.909 175.173 176.094 -0.021 0.000 1.115 272 V CA -0.832 61.455 62.300 -0.021 0.000 0.998 272 V CB 1.747 33.563 31.823 -0.012 0.000 1.042 272 V HN 0.755 nan 8.190 nan 0.000 0.433 273 K N 1.713 122.103 120.400 -0.016 0.000 2.469 273 K HA 0.784 5.107 4.320 0.005 0.000 0.268 273 K C -1.487 175.106 176.600 -0.012 0.000 1.027 273 K CA -0.876 55.401 56.287 -0.017 0.000 0.893 273 K CB 2.755 35.244 32.500 -0.017 0.000 1.460 273 K HN 0.833 nan 8.250 nan 0.000 0.449 274 Q N 1.027 120.819 119.800 -0.013 0.000 2.327 274 Q HA 0.128 4.471 4.340 0.005 0.000 0.265 274 Q C -1.428 174.568 176.000 -0.008 0.000 0.993 274 Q CA -0.690 55.108 55.803 -0.008 0.000 0.885 274 Q CB 2.227 30.962 28.738 -0.005 0.000 1.379 274 Q HN 0.549 nan 8.270 nan 0.000 0.408 275 Q N 2.007 121.804 119.800 -0.004 0.000 2.286 275 Q HA 0.415 4.758 4.340 0.005 0.000 0.257 275 Q C -0.087 175.913 176.000 -0.001 0.000 0.941 275 Q CA -0.108 55.693 55.803 -0.003 0.000 0.912 275 Q CB 1.412 30.149 28.738 -0.002 0.000 1.192 275 Q HN 0.517 nan 8.270 nan 0.000 0.410 276 V N -0.820 119.094 119.914 -0.001 0.000 3.130 276 V HA 0.749 4.871 4.120 0.005 0.000 0.310 276 V C -0.467 175.629 176.094 0.002 0.000 1.158 276 V CA -0.840 61.461 62.300 0.002 0.000 1.029 276 V CB 2.397 34.221 31.823 0.001 0.000 1.057 276 V HN 0.624 nan 8.190 nan 0.000 0.436 277 T N 3.730 118.287 114.554 0.005 0.000 2.791 277 T HA 0.602 4.955 4.350 0.005 0.000 0.288 277 T C -0.288 174.416 174.700 0.007 0.000 0.999 277 T CA -0.236 61.867 62.100 0.006 0.000 0.952 277 T CB 0.702 69.574 68.868 0.007 0.000 0.938 277 T HN 0.656 nan 8.240 nan 0.000 0.444 278 L N 3.941 125.167 121.223 0.005 0.000 2.367 278 L HA 0.314 4.657 4.340 0.005 0.000 0.275 278 L C 0.617 177.492 176.870 0.009 0.000 1.129 278 L CA -0.763 54.080 54.840 0.005 0.000 0.839 278 L CB 0.450 42.510 42.059 0.003 0.000 1.133 278 L HN 0.383 nan 8.230 nan 0.000 0.453 279 Q N 3.494 123.299 119.800 0.009 0.000 2.214 279 Q HA 0.413 4.756 4.340 0.005 0.000 0.251 279 Q C -2.272 173.736 176.000 0.013 0.000 0.936 279 Q CA -2.406 53.404 55.803 0.013 0.000 0.894 279 Q CB 0.731 29.479 28.738 0.016 0.000 1.252 279 Q HN 0.281 nan 8.270 nan 0.000 0.448 280 P HA 0.043 nan 4.420 nan 0.000 0.263 280 P C 0.399 177.710 177.300 0.018 0.000 1.175 280 P CA 1.395 64.507 63.100 0.020 0.000 0.761 280 P CB 0.272 31.984 31.700 0.020 0.000 0.794 281 G N 2.812 111.624 108.800 0.020 0.000 2.584 281 G HA2 -0.192 3.771 3.960 0.005 0.000 0.229 281 G HA3 -0.192 3.771 3.960 0.005 0.000 0.229 281 G C -0.738 174.157 174.900 -0.009 0.000 1.320 281 G CA -0.805 44.303 45.100 0.014 0.000 0.891 281 G HN 0.488 nan 8.290 nan 0.000 0.573 282 I N 2.237 122.792 120.570 -0.024 0.000 2.588 282 I HA 0.261 4.434 4.170 0.005 0.000 0.283 282 I C 0.573 176.610 176.117 -0.134 0.000 1.119 282 I CA -0.256 60.985 61.300 -0.098 0.000 1.419 282 I CB 0.312 38.252 38.000 -0.099 0.000 1.394 282 I HN 0.460 nan 8.210 nan 0.000 0.562 283 N N 5.660 124.232 118.700 -0.213 0.000 2.296 283 N HA 0.333 5.076 4.740 0.005 0.000 0.294 283 N C -0.792 174.535 175.510 -0.306 0.000 1.033 283 N CA -0.596 52.356 53.050 -0.163 0.000 0.839 283 N CB 1.993 40.439 38.487 -0.067 0.000 1.395 283 N HN 0.503 nan 8.380 nan 0.000 0.479 284 H N 2.086 121.170 119.070 0.023 0.000 2.476 284 H HA 0.462 5.021 4.556 0.005 0.000 0.328 284 H C -0.448 174.894 175.328 0.024 0.000 1.073 284 H CA -0.211 55.854 56.048 0.030 0.000 1.229 284 H CB 1.769 31.550 29.762 0.031 0.000 1.432 284 H HN 0.404 nan 8.280 nan 0.000 0.477 285 I N 2.112 122.749 120.570 0.112 0.000 2.533 285 I HA 0.157 4.330 4.170 0.005 0.000 0.290 285 I C -0.121 176.042 176.117 0.077 0.000 1.056 285 I CA -0.153 61.187 61.300 0.067 0.000 1.057 285 I CB 2.262 40.274 38.000 0.020 0.000 1.240 285 I HN 0.429 nan 8.210 nan 0.000 0.423 286 T N 6.863 121.453 114.554 0.060 0.000 2.840 286 T HA 0.684 5.036 4.350 0.005 0.000 0.287 286 T C -0.804 173.919 174.700 0.037 0.000 0.991 286 T CA -0.428 61.706 62.100 0.055 0.000 0.964 286 T CB 0.965 69.861 68.868 0.046 0.000 0.954 286 T HN 0.090 nan 8.240 nan 0.000 0.438 287 L N 6.107 127.355 121.223 0.042 0.000 2.343 287 L HA 0.483 4.826 4.340 0.005 0.000 0.278 287 L C -2.208 174.686 176.870 0.040 0.000 0.996 287 L CA -2.023 52.837 54.840 0.033 0.000 0.831 287 L CB 1.425 43.500 42.059 0.026 0.000 1.232 287 L HN 0.343 nan 8.230 nan 0.000 0.413 288 P HA 0.432 nan 4.420 nan 0.000 0.272 288 P C -1.099 176.218 177.300 0.027 0.000 1.223 288 P CA -0.335 62.779 63.100 0.023 0.000 0.784 288 P CB 1.633 33.339 31.700 0.010 0.000 0.923 289 A N 1.825 124.666 122.820 0.035 0.000 2.549 289 A HA 0.590 4.913 4.320 0.005 0.000 0.297 289 A C -0.969 176.627 177.584 0.020 0.000 1.061 289 A CA -0.610 51.441 52.037 0.023 0.000 0.690 289 A CB 1.583 20.601 19.000 0.031 0.000 1.287 289 A HN 0.528 nan 8.150 nan 0.000 0.402 290 E N 0.209 120.408 120.200 -0.002 0.000 2.312 290 E HA 0.618 4.971 4.350 0.005 0.000 0.267 290 E C -1.472 175.115 176.600 -0.022 0.000 0.894 290 E CA -1.031 55.366 56.400 -0.005 0.000 0.773 290 E CB 2.646 32.343 29.700 -0.004 0.000 1.241 290 E HN 0.305 nan 8.360 nan 0.000 0.432 291 V N 1.964 121.863 119.914 -0.025 0.000 2.380 291 V HA 0.165 4.288 4.120 0.005 0.000 0.286 291 V C -0.005 176.091 176.094 0.004 0.000 1.015 291 V CA -0.837 61.446 62.300 -0.028 0.000 0.834 291 V CB 1.209 32.965 31.823 -0.111 0.000 1.009 291 V HN 0.829 nan 8.190 nan 0.000 0.428 292 T N 1.441 116.006 114.554 0.019 0.000 2.926 292 T HA 0.204 4.556 4.350 0.005 0.000 0.307 292 T C 0.546 175.275 174.700 0.049 0.000 1.059 292 T CA -0.108 62.009 62.100 0.028 0.000 1.122 292 T CB -0.175 68.707 68.868 0.024 0.000 0.972 292 T HN 0.815 nan 8.240 nan 0.000 0.545 293 N N 0.731 119.459 118.700 0.048 0.000 2.705 293 N HA -0.126 4.616 4.740 0.005 0.000 0.255 293 N C -2.569 173.000 175.510 0.097 0.000 1.008 293 N CA 0.010 53.097 53.050 0.062 0.000 0.742 293 N CB -1.130 37.390 38.487 0.055 0.000 0.906 293 N HN 0.616 nan 8.380 nan 0.000 0.541 294 P HA 0.007 nan 4.420 nan 0.000 0.266 294 P C -0.076 177.352 177.300 0.213 0.000 1.195 294 P CA 0.076 63.272 63.100 0.161 0.000 0.768 294 P CB 0.810 32.557 31.700 0.079 0.000 0.838 295 V N 5.019 125.139 119.914 0.344 0.000 2.368 295 V HA 0.181 4.304 4.120 0.005 0.000 0.266 295 V C 1.255 177.534 176.094 0.309 0.000 1.045 295 V CA -0.359 62.091 62.300 0.250 0.000 0.899 295 V CB -0.223 31.690 31.823 0.150 0.000 1.006 295 V HN 0.454 nan 8.190 nan 0.000 0.470 296 R N 3.055 123.688 120.500 0.223 0.000 2.543 296 R HA 0.112 4.455 4.340 0.005 0.000 0.277 296 R C -0.355 176.114 176.300 0.283 0.000 1.074 296 R CA -0.433 55.818 56.100 0.251 0.000 1.076 296 R CB 0.887 31.304 30.300 0.195 0.000 0.993 296 R HN 0.766 nan 8.270 nan 0.000 0.459 297 W N 4.779 126.164 121.300 0.142 0.000 2.308 297 W HA 0.049 4.711 4.660 0.004 0.000 0.324 297 W C -0.693 175.900 176.519 0.123 0.000 1.387 297 W CA 0.061 57.477 57.345 0.119 0.000 1.250 297 W CB 0.565 30.088 29.460 0.106 0.000 1.257 297 W HN 0.250 nan 8.180 nan 0.000 0.554 298 M N 9.457 128.873 119.600 -0.307 0.000 2.456 298 M HA 0.337 4.820 4.480 0.005 0.000 0.324 298 M C -2.054 173.834 176.300 -0.686 0.000 1.124 298 M CA -2.696 52.467 55.300 -0.230 0.000 0.959 298 M CB 1.595 34.195 32.600 0.001 0.000 1.692 298 M HN 0.267 nan 8.290 nan 0.000 0.444 299 P HA 0.058 nan 4.420 nan 0.000 0.272 299 P C -0.462 176.647 177.300 -0.319 0.000 1.223 299 P CA -0.334 62.499 63.100 -0.445 0.000 0.784 299 P CB 0.245 31.784 31.700 -0.268 0.000 0.923 300 N N 1.171 119.703 118.700 -0.279 0.000 2.132 300 N HA 0.029 4.772 4.740 0.005 0.000 0.280 300 N C 1.509 176.927 175.510 -0.153 0.000 1.318 300 N CA 2.327 55.272 53.050 -0.176 0.000 0.822 300 N CB -0.629 37.783 38.487 -0.125 0.000 1.058 300 N HN 0.769 nan 8.380 nan 0.000 0.489 301 G N 2.336 111.106 108.800 -0.050 0.000 2.213 301 G HA2 -0.241 3.722 3.960 0.005 0.000 0.236 301 G HA3 -0.241 3.722 3.960 0.005 0.000 0.236 301 G C 0.406 175.455 174.900 0.248 0.000 0.991 301 G CA 0.232 45.355 45.100 0.040 0.000 0.629 301 G HN 0.585 nan 8.290 nan 0.000 0.517 302 W N 1.255 122.518 121.300 -0.062 0.000 3.008 302 W HA 0.579 5.243 4.660 0.008 0.000 0.355 302 W C 1.246 177.730 176.519 -0.059 0.000 1.095 302 W CA 0.541 57.858 57.345 -0.046 0.000 1.738 302 W CB 0.510 29.949 29.460 -0.035 0.000 1.091 302 W HN 1.086 nan 8.180 nan 0.000 0.574 303 G N -0.481 108.390 108.800 0.117 0.000 2.334 303 G HA2 0.076 4.039 3.960 0.005 0.000 0.249 303 G HA3 0.076 4.039 3.960 0.005 0.000 0.249 303 G C -0.968 173.901 174.900 -0.051 0.000 1.327 303 G CA -0.882 44.235 45.100 0.028 0.000 0.979 303 G HN -0.288 nan 8.290 nan 0.000 0.471 304 T N 3.243 117.757 114.554 -0.067 0.000 2.806 304 T HA 0.575 4.928 4.350 0.005 0.000 0.290 304 T C -2.200 172.369 174.700 -0.219 0.000 0.966 304 T CA -0.666 61.371 62.100 -0.104 0.000 1.060 304 T CB 1.887 70.726 68.868 -0.049 0.000 0.927 304 T HN 0.415 nan 8.240 nan 0.000 0.485 305 P HA 0.166 nan 4.420 nan 0.000 0.225 305 P C -0.378 176.847 177.300 -0.126 0.000 1.813 305 P CA -0.455 62.286 63.100 -0.600 0.000 1.013 305 P CB -0.781 30.618 31.700 -0.502 0.000 1.961 306 T N 2.918 117.482 114.554 0.018 0.000 2.867 306 T HA 0.176 4.529 4.350 0.005 0.000 0.297 306 T C 0.446 175.354 174.700 0.346 0.000 0.989 306 T CA 0.457 62.647 62.100 0.151 0.000 1.159 306 T CB 0.197 69.127 68.868 0.104 0.000 0.928 306 T HN 0.192 nan 8.240 nan 0.000 0.538 307 L N 4.011 125.370 121.223 0.226 0.000 2.343 307 L HA 0.437 4.779 4.340 0.005 0.000 0.278 307 L C -0.511 176.473 176.870 0.189 0.000 0.996 307 L CA -1.002 53.994 54.840 0.261 0.000 0.831 307 L CB 1.012 43.198 42.059 0.212 0.000 1.232 307 L HN 0.652 nan 8.230 nan 0.000 0.413 308 Y N 1.497 121.927 120.300 0.216 0.000 2.300 308 Y HA 0.110 4.663 4.550 0.004 0.000 0.328 308 Y C 0.544 176.614 175.900 0.283 0.000 1.270 308 Y CA -0.198 58.057 58.100 0.258 0.000 1.352 308 Y CB 0.876 39.599 38.460 0.439 0.000 1.286 308 Y HN 0.455 nan 8.280 nan 0.000 0.536 309 D N 2.839 123.448 120.400 0.350 0.000 2.329 309 D HA 0.164 4.807 4.640 0.005 0.000 0.232 309 D C -1.230 175.268 176.300 0.330 0.000 1.088 309 D CA -0.088 54.094 54.000 0.304 0.000 0.835 309 D CB 0.781 41.672 40.800 0.153 0.000 1.078 309 D HN 0.194 nan 8.370 nan 0.000 0.495 310 F N 1.219 121.251 119.950 0.137 0.000 2.391 310 F HA 0.184 4.713 4.527 0.004 0.000 0.359 310 F C 0.926 176.860 175.800 0.224 0.000 1.122 310 F CA -0.727 57.376 58.000 0.172 0.000 1.120 310 F CB 1.623 40.712 39.000 0.147 0.000 1.142 310 F HN 0.026 nan 8.300 nan 0.000 0.483 311 S N 3.227 119.082 115.700 0.259 0.000 2.596 311 S HA 0.842 5.315 4.470 0.005 0.000 0.318 311 S C -0.653 173.960 174.600 0.021 0.000 1.097 311 S CA -0.481 57.807 58.200 0.147 0.000 1.080 311 S CB 0.534 63.769 63.200 0.059 0.000 0.991 311 S HN 0.751 nan 8.310 nan 0.000 0.471 312 A N 4.564 127.291 122.820 -0.155 0.000 2.305 312 A HA 0.758 5.081 4.320 0.005 0.000 0.322 312 A C -0.454 177.000 177.584 -0.217 0.000 1.187 312 A CA -0.615 51.220 52.037 -0.337 0.000 0.825 312 A CB 0.898 19.393 19.000 -0.842 0.000 1.164 312 A HN 0.837 nan 8.150 nan 0.000 0.498 313 Q N 1.293 121.000 119.800 -0.155 0.000 2.347 313 Q HA 0.455 4.798 4.340 0.005 0.000 0.271 313 Q C -1.266 174.682 176.000 -0.087 0.000 1.064 313 Q CA -0.792 54.951 55.803 -0.100 0.000 0.800 313 Q CB 2.455 31.154 28.738 -0.064 0.000 1.304 313 Q HN 0.619 nan 8.270 nan 0.000 0.438 314 I N 2.103 122.632 120.570 -0.069 0.000 2.307 314 I HA 0.442 4.615 4.170 0.005 0.000 0.289 314 I C -0.108 175.993 176.117 -0.027 0.000 1.021 314 I CA -0.383 60.888 61.300 -0.048 0.000 1.224 314 I CB 0.469 38.443 38.000 -0.043 0.000 1.376 314 I HN 0.578 nan 8.210 nan 0.000 0.470 315 A N 6.224 129.030 122.820 -0.022 0.000 2.292 315 A HA 0.580 4.903 4.320 0.005 0.000 0.319 315 A C -0.499 177.082 177.584 -0.005 0.000 1.206 315 A CA -0.317 51.713 52.037 -0.012 0.000 0.835 315 A CB 0.710 19.702 19.000 -0.014 0.000 1.164 315 A HN 0.760 nan 8.150 nan 0.000 0.505 316 C N 3.211 122.512 119.300 0.002 0.000 2.362 316 C HA 0.724 5.186 4.460 0.005 0.000 0.309 316 C C 1.217 176.211 174.990 0.006 0.000 1.110 316 C CA 0.365 59.387 59.018 0.006 0.000 1.485 316 C CB -0.668 27.080 27.740 0.013 0.000 1.949 316 C HN 1.801 nan 8.230 nan 0.000 0.419 317 G N 4.689 113.491 108.800 0.003 0.000 2.531 317 G HA2 -0.266 3.697 3.960 0.005 0.000 0.274 317 G HA3 -0.266 3.697 3.960 0.005 0.000 0.274 317 G C 0.361 175.262 174.900 0.002 0.000 1.159 317 G CA 0.834 45.936 45.100 0.003 0.000 0.969 317 G HN 0.571 nan 8.290 nan 0.000 0.554 318 D N 1.199 121.601 120.400 0.003 0.000 2.323 318 D HA 0.154 4.797 4.640 0.005 0.000 0.209 318 D C 1.431 177.733 176.300 0.003 0.000 0.973 318 D CA 1.140 55.141 54.000 0.002 0.000 0.874 318 D CB -0.178 40.623 40.800 0.002 0.000 0.930 318 D HN 0.894 nan 8.370 nan 0.000 0.521 319 R N 1.008 121.512 120.500 0.006 0.000 2.349 319 R HA 0.391 4.734 4.340 0.005 0.000 0.299 319 R C -0.282 176.022 176.300 0.008 0.000 1.027 319 R CA -0.669 55.436 56.100 0.009 0.000 0.958 319 R CB 1.057 31.366 30.300 0.015 0.000 1.047 319 R HN -0.135 nan 8.270 nan 0.000 0.468 320 I N 5.142 125.716 120.570 0.007 0.000 2.278 320 I HA -0.037 4.136 4.170 0.005 0.000 0.296 320 I C 1.656 177.781 176.117 0.013 0.000 1.121 320 I CA -0.287 61.014 61.300 0.002 0.000 1.267 320 I CB 0.735 38.733 38.000 -0.005 0.000 1.447 320 I HN 0.759 nan 8.210 nan 0.000 0.509 321 V N 3.646 123.571 119.914 0.017 0.000 2.591 321 V HA 0.285 4.408 4.120 0.005 0.000 0.249 321 V C 0.905 177.016 176.094 0.029 0.000 1.053 321 V CA 0.848 63.173 62.300 0.042 0.000 1.068 321 V CB -0.333 31.524 31.823 0.058 0.000 0.689 321 V HN 0.691 nan 8.190 nan 0.000 0.462 322 A N -0.218 122.597 122.820 -0.010 0.000 2.488 322 A HA 0.761 5.084 4.320 0.005 0.000 0.298 322 A C -0.838 176.710 177.584 -0.059 0.000 1.044 322 A CA -0.485 51.524 52.037 -0.047 0.000 0.693 322 A CB 1.913 20.866 19.000 -0.078 0.000 1.272 322 A HN 0.323 nan 8.150 nan 0.000 0.402 323 E N 1.080 121.242 120.200 -0.063 0.000 2.340 323 E HA 0.605 4.958 4.350 0.005 0.000 0.273 323 E C -1.658 174.895 176.600 -0.078 0.000 0.891 323 E CA -0.374 55.983 56.400 -0.072 0.000 0.757 323 E CB 2.265 31.938 29.700 -0.045 0.000 1.231 323 E HN 0.693 nan 8.360 nan 0.000 0.439 324 Q N 1.142 120.884 119.800 -0.097 0.000 2.345 324 Q HA 0.509 4.852 4.340 0.005 0.000 0.275 324 Q C -1.885 174.102 176.000 -0.022 0.000 1.063 324 Q CA -0.428 55.332 55.803 -0.072 0.000 0.819 324 Q CB 2.117 30.818 28.738 -0.062 0.000 1.356 324 Q HN 0.349 nan 8.270 nan 0.000 0.418 325 S N 2.245 117.905 115.700 -0.067 0.000 2.568 325 S HA 0.718 5.191 4.470 0.005 0.000 0.293 325 S C -1.437 173.011 174.600 -0.254 0.000 1.089 325 S CA -0.705 57.485 58.200 -0.016 0.000 0.945 325 S CB 0.890 64.110 63.200 0.033 0.000 1.077 325 S HN 0.582 nan 8.310 nan 0.000 0.485 326 H N 1.005 120.139 119.070 0.106 0.000 2.821 326 H HA 0.460 5.019 4.556 0.005 0.000 0.373 326 H C -0.549 174.790 175.328 0.019 0.000 1.165 326 H CA -0.737 55.279 56.048 -0.052 0.000 1.154 326 H CB 1.348 30.946 29.762 -0.274 0.000 1.765 326 H HN 0.391 nan 8.280 nan 0.000 0.549 327 R N 1.649 122.218 120.500 0.115 0.000 2.265 327 R HA 0.429 4.772 4.340 0.005 0.000 0.319 327 R C -0.461 175.840 176.300 0.001 0.000 1.006 327 R CA -0.735 55.432 56.100 0.111 0.000 0.880 327 R CB 1.130 31.491 30.300 0.102 0.000 1.077 327 R HN 0.325 nan 8.270 nan 0.000 0.454 328 I N 1.875 122.465 120.570 0.034 0.000 2.436 328 I HA 0.312 4.485 4.170 0.005 0.000 0.289 328 I C 0.555 176.684 176.117 0.020 0.000 1.010 328 I CA -0.617 60.588 61.300 -0.159 0.000 1.098 328 I CB 1.684 39.308 38.000 -0.627 0.000 1.266 328 I HN 0.664 nan 8.210 nan 0.000 0.434 329 G N 6.509 115.236 108.800 -0.122 0.000 2.343 329 G HA2 0.632 4.595 3.960 0.005 0.000 0.319 329 G HA3 0.632 4.595 3.960 0.005 0.000 0.319 329 G C -0.659 174.237 174.900 -0.006 0.000 1.126 329 G CA -0.511 44.585 45.100 -0.007 0.000 0.889 329 G HN 0.483 nan 8.290 nan 0.000 0.457 330 L N 3.984 125.313 121.223 0.177 0.000 2.259 330 L HA 0.574 4.917 4.340 0.005 0.000 0.288 330 L C 0.321 177.287 176.870 0.158 0.000 1.051 330 L CA -0.819 54.073 54.840 0.087 0.000 0.824 330 L CB 0.332 42.428 42.059 0.060 0.000 1.206 330 L HN 0.614 nan 8.230 nan 0.000 0.429 331 R N 1.865 122.421 120.500 0.094 0.000 2.716 331 R HA 0.525 4.867 4.340 0.005 0.000 0.271 331 R C -1.172 175.179 176.300 0.085 0.000 1.028 331 R CA -0.714 55.480 56.100 0.156 0.000 0.883 331 R CB 1.275 31.759 30.300 0.307 0.000 1.250 331 R HN 0.351 nan 8.270 nan 0.000 0.465 332 T N -0.669 113.953 114.554 0.113 0.000 2.855 332 T HA 0.748 5.101 4.350 0.005 0.000 0.281 332 T C 0.208 174.974 174.700 0.109 0.000 1.007 332 T CA -0.765 61.383 62.100 0.081 0.000 1.009 332 T CB 0.865 69.773 68.868 0.066 0.000 0.983 332 T HN 0.475 nan 8.240 nan 0.000 0.455 333 I N 2.333 122.948 120.570 0.075 0.000 2.499 333 I HA 0.514 4.686 4.170 0.005 0.000 0.288 333 I C -0.204 175.926 176.117 0.021 0.000 1.048 333 I CA -0.930 60.425 61.300 0.092 0.000 1.062 333 I CB 2.295 40.361 38.000 0.110 0.000 1.238 333 I HN 0.647 nan 8.210 nan 0.000 0.426 334 R N 5.461 125.943 120.500 -0.030 0.000 2.513 334 R HA 0.645 4.988 4.340 0.005 0.000 0.301 334 R C -1.669 174.389 176.300 -0.403 0.000 0.968 334 R CA -0.503 55.497 56.100 -0.165 0.000 0.872 334 R CB 1.992 32.211 30.300 -0.134 0.000 1.177 334 R HN 0.420 nan 8.270 nan 0.000 0.444 335 V N 5.245 124.759 119.914 -0.667 0.000 2.432 335 V HA 0.246 4.369 4.120 0.005 0.000 0.271 335 V C -0.196 175.221 176.094 -1.129 0.000 1.046 335 V CA -0.621 60.915 62.300 -1.272 0.000 0.945 335 V CB 1.431 32.016 31.823 -2.064 0.000 0.992 335 V HN 0.508 nan 8.190 nan 0.000 0.471 336 V N 5.463 124.663 119.914 -1.191 0.000 2.333 336 V HA 0.373 4.496 4.120 0.005 0.000 0.274 336 V C 0.344 175.949 176.094 -0.814 0.000 1.028 336 V CA -0.368 61.351 62.300 -0.969 0.000 0.851 336 V CB 0.914 32.020 31.823 -1.195 0.000 1.000 336 V HN 0.958 nan 8.190 nan 0.000 0.456 337 N N 4.461 122.844 118.700 -0.528 0.000 2.716 337 N HA 0.348 5.091 4.740 0.005 0.000 0.253 337 N C -0.924 174.545 175.510 -0.069 0.000 1.170 337 N CA -0.270 52.629 53.050 -0.252 0.000 0.807 337 N CB 1.245 39.585 38.487 -0.245 0.000 1.183 337 N HN 0.748 nan 8.380 nan 0.000 0.524 338 E N 1.657 121.849 120.200 -0.015 0.000 2.293 338 E HA 0.275 4.628 4.350 0.005 0.000 0.270 338 E C -0.750 175.892 176.600 0.070 0.000 0.879 338 E CA -0.847 55.566 56.400 0.022 0.000 0.756 338 E CB 2.369 32.071 29.700 0.002 0.000 1.208 338 E HN 0.314 nan 8.360 nan 0.000 0.428 339 K N 2.171 122.615 120.400 0.072 0.000 2.469 339 K HA 0.069 4.392 4.320 0.005 0.000 0.274 339 K C -0.380 176.265 176.600 0.075 0.000 0.983 339 K CA 0.553 56.888 56.287 0.081 0.000 0.974 339 K CB 0.119 32.662 32.500 0.072 0.000 0.913 339 K HN 0.546 nan 8.250 nan 0.000 0.493 340 D N -0.624 119.824 120.400 0.080 0.000 2.768 340 D HA 0.042 4.685 4.640 0.005 0.000 0.327 340 D C 0.183 176.532 176.300 0.081 0.000 1.302 340 D CA -0.942 53.105 54.000 0.078 0.000 0.897 340 D CB 0.247 41.097 40.800 0.084 0.000 1.420 340 D HN 0.356 nan 8.370 nan 0.000 0.494 341 K N -0.837 119.613 120.400 0.083 0.000 2.211 341 K HA -0.093 4.230 4.320 0.005 0.000 0.204 341 K C 0.297 176.963 176.600 0.109 0.000 1.047 341 K CA 1.262 57.602 56.287 0.089 0.000 0.935 341 K CB -0.204 32.350 32.500 0.088 0.000 0.728 341 K HN 0.229 nan 8.250 nan 0.000 0.452 342 D N -0.033 120.439 120.400 0.120 0.000 2.346 342 D HA 0.103 4.746 4.640 0.005 0.000 0.206 342 D C 1.136 177.511 176.300 0.125 0.000 1.001 342 D CA 1.075 55.171 54.000 0.159 0.000 0.871 342 D CB 1.143 42.048 40.800 0.174 0.000 0.943 342 D HN 0.492 nan 8.370 nan 0.000 0.518 343 G N 0.451 109.308 108.800 0.096 0.000 1.884 343 G HA2 -0.086 3.877 3.960 0.005 0.000 0.053 343 G HA3 -0.086 3.877 3.960 0.005 0.000 0.053 343 G C -1.151 173.813 174.900 0.107 0.000 0.780 343 G CA -0.695 44.465 45.100 0.099 0.000 1.118 343 G HN 0.127 nan 8.290 nan 0.000 0.344 344 E N 1.059 121.334 120.200 0.125 0.000 2.241 344 E HA 0.538 4.891 4.350 0.005 0.000 0.263 344 E C -0.010 176.698 176.600 0.179 0.000 0.882 344 E CA -0.186 56.317 56.400 0.171 0.000 0.769 344 E CB 2.144 32.004 29.700 0.267 0.000 1.185 344 E HN 0.696 nan 8.360 nan 0.000 0.415 345 S N 2.372 118.167 115.700 0.159 0.000 2.589 345 S HA 0.341 4.814 4.470 0.005 0.000 0.265 345 S C -0.268 174.490 174.600 0.262 0.000 1.342 345 S CA -0.326 57.991 58.200 0.194 0.000 1.005 345 S CB 0.522 63.857 63.200 0.225 0.000 0.909 345 S HN 0.505 nan 8.310 nan 0.000 0.555 346 F N 2.787 122.809 119.950 0.119 0.000 3.164 346 F HA 0.480 5.011 4.527 0.005 0.000 0.375 346 F C -1.241 174.613 175.800 0.090 0.000 1.257 346 F CA -0.666 57.329 58.000 -0.009 0.000 1.171 346 F CB 0.769 39.799 39.000 0.049 0.000 1.588 346 F HN 0.825 nan 8.300 nan 0.000 0.604 347 Y N 2.008 122.058 120.300 -0.416 0.000 2.670 347 Y HA 0.750 5.303 4.550 0.004 0.000 0.334 347 Y C -2.142 173.488 175.900 -0.450 0.000 1.185 347 Y CA -2.338 55.661 58.100 -0.168 0.000 1.053 347 Y CB 1.084 39.587 38.460 0.072 0.000 1.298 347 Y HN 0.185 nan 8.280 nan 0.000 0.459 348 F N 1.740 121.740 119.950 0.083 0.000 2.415 348 F HA 0.378 4.908 4.527 0.004 0.000 0.348 348 F C 0.118 176.024 175.800 0.178 0.000 1.119 348 F CA -0.558 57.429 58.000 -0.022 0.000 1.069 348 F CB 1.686 40.699 39.000 0.022 0.000 1.124 348 F HN 0.606 nan 8.300 nan 0.000 0.472 349 E N 3.954 124.274 120.200 0.200 0.000 2.113 349 E HA 0.498 4.851 4.350 0.005 0.000 0.273 349 E C -1.736 175.018 176.600 0.256 0.000 0.924 349 E CA -0.550 56.019 56.400 0.281 0.000 0.764 349 E CB 1.487 31.304 29.700 0.194 0.000 1.104 349 E HN 0.442 nan 8.360 nan 0.000 0.406 350 V N 5.247 125.374 119.914 0.356 0.000 2.370 350 V HA 0.179 4.302 4.120 0.005 0.000 0.283 350 V C 0.178 176.485 176.094 0.355 0.000 1.023 350 V CA -0.930 61.584 62.300 0.358 0.000 0.857 350 V CB 1.167 33.217 31.823 0.378 0.000 0.985 350 V HN 0.874 nan 8.190 nan 0.000 0.443 351 N N 4.080 122.932 118.700 0.253 0.000 2.716 351 N HA -0.226 4.517 4.740 0.005 0.000 0.250 351 N C 1.159 176.755 175.510 0.144 0.000 1.033 351 N CA 1.530 54.693 53.050 0.190 0.000 0.727 351 N CB -1.003 37.606 38.487 0.204 0.000 0.950 351 N HN 1.521 nan 8.380 nan 0.000 0.541 352 G N -1.546 107.341 108.800 0.144 0.000 2.175 352 G HA2 -0.289 3.674 3.960 0.005 0.000 0.244 352 G HA3 -0.289 3.674 3.960 0.005 0.000 0.244 352 G C -0.008 174.969 174.900 0.128 0.000 0.982 352 G CA 0.323 45.489 45.100 0.109 0.000 0.641 352 G HN 0.488 nan 8.290 nan 0.000 0.527 353 I N 1.175 121.862 120.570 0.196 0.000 2.447 353 I HA 0.375 4.547 4.170 0.005 0.000 0.287 353 I C -2.482 173.879 176.117 0.407 0.000 1.023 353 I CA -2.647 58.778 61.300 0.209 0.000 1.083 353 I CB 2.397 40.392 38.000 -0.008 0.000 1.245 353 I HN -0.220 nan 8.210 nan 0.000 0.434 354 P HA 0.089 nan 4.420 nan 0.000 0.264 354 P C -0.707 176.878 177.300 0.475 0.000 1.193 354 P CA 0.074 63.397 63.100 0.373 0.000 0.763 354 P CB 0.498 32.268 31.700 0.115 0.000 0.810 355 M N 5.341 125.185 119.600 0.405 0.000 2.043 355 M HA 0.332 4.815 4.480 0.005 0.000 0.322 355 M C -0.914 175.484 176.300 0.162 0.000 0.962 355 M CA -1.120 54.287 55.300 0.178 0.000 0.927 355 M CB 0.361 32.861 32.600 -0.166 0.000 1.466 355 M HN 0.158 nan 8.290 nan 0.000 0.412 356 F N 4.283 124.262 119.950 0.048 0.000 2.557 356 F HA 0.321 4.850 4.527 0.004 0.000 0.384 356 F C 0.299 176.031 175.800 -0.114 0.000 1.057 356 F CA -0.088 57.914 58.000 0.004 0.000 1.169 356 F CB 0.458 39.454 39.000 -0.008 0.000 1.070 356 F HN 0.659 nan 8.300 nan 0.000 0.554 357 A N 7.177 129.771 122.820 -0.376 0.000 2.401 357 A HA 0.439 4.762 4.320 0.005 0.000 0.259 357 A C -0.500 176.878 177.584 -0.343 0.000 1.103 357 A CA -0.528 51.329 52.037 -0.301 0.000 0.789 357 A CB 0.309 19.206 19.000 -0.171 0.000 1.035 357 A HN 0.811 nan 8.150 nan 0.000 0.491 358 K N 1.999 122.152 120.400 -0.411 0.000 2.579 358 K HA 0.601 4.924 4.320 0.005 0.000 0.250 358 K C 0.088 176.276 176.600 -0.686 0.000 0.952 358 K CA -0.091 55.692 56.287 -0.840 0.000 0.857 358 K CB 2.123 33.825 32.500 -1.330 0.000 1.123 358 K HN 1.032 nan 8.250 nan 0.000 0.433 359 G N 1.077 109.660 108.800 -0.361 0.000 2.474 359 G HA2 0.719 4.682 3.960 0.005 0.000 0.234 359 G HA3 0.719 4.682 3.960 0.005 0.000 0.234 359 G C -1.782 172.990 174.900 -0.213 0.000 1.204 359 G CA -0.125 44.882 45.100 -0.155 0.000 0.939 359 G HN 0.632 nan 8.290 nan 0.000 0.491 360 A N -0.934 121.646 122.820 -0.400 0.000 2.609 360 A HA 0.751 5.074 4.320 0.005 0.000 0.291 360 A C -1.171 176.142 177.584 -0.452 0.000 1.096 360 A CA -0.720 50.892 52.037 -0.709 0.000 0.684 360 A CB 1.029 19.309 19.000 -1.199 0.000 1.282 360 A HN 0.559 nan 8.150 nan 0.000 0.412 361 N N 0.596 118.991 118.700 -0.509 0.000 2.488 361 N HA 0.314 5.057 4.740 0.005 0.000 0.274 361 N C -1.520 173.658 175.510 -0.554 0.000 1.111 361 N CA 0.309 53.097 53.050 -0.436 0.000 0.974 361 N CB 1.284 39.563 38.487 -0.346 0.000 1.089 361 N HN 0.631 nan 8.380 nan 0.000 0.465 362 Y N 3.490 123.524 120.300 -0.443 0.000 2.331 362 Y HA 0.447 5.000 4.550 0.005 0.000 0.338 362 Y C -0.084 175.572 175.900 -0.406 0.000 0.992 362 Y CA -0.886 56.965 58.100 -0.415 0.000 1.121 362 Y CB 0.541 38.871 38.460 -0.215 0.000 1.184 362 Y HN 0.443 nan 8.280 nan 0.000 0.469 363 I N 3.893 123.725 120.570 -1.229 0.000 3.100 363 I HA 0.754 4.927 4.170 0.005 0.000 0.312 363 I C -2.737 172.651 176.117 -1.214 0.000 1.063 363 I CA -3.242 57.429 61.300 -1.047 0.000 1.031 363 I CB 1.548 38.790 38.000 -1.263 0.000 1.243 363 I HN 0.384 nan 8.210 nan 0.000 0.483 364 P HA 0.078 nan 4.420 nan 0.000 0.266 364 P C -0.513 176.530 177.300 -0.428 0.000 1.195 364 P CA 0.116 62.864 63.100 -0.587 0.000 0.768 364 P CB 0.449 31.700 31.700 -0.747 0.000 0.838 365 Q N 0.426 120.093 119.800 -0.222 0.000 2.435 365 Q HA -0.008 4.334 4.340 0.005 0.000 0.207 365 Q C 0.299 176.342 176.000 0.072 0.000 0.956 365 Q CA 1.026 56.753 55.803 -0.126 0.000 0.917 365 Q CB 0.193 28.852 28.738 -0.132 0.000 0.997 365 Q HN 0.517 nan 8.270 nan 0.000 0.497 366 D N -2.778 117.704 120.400 0.138 0.000 2.654 366 D HA 0.237 4.880 4.640 0.005 0.000 0.231 366 D C -0.506 175.998 176.300 0.340 0.000 1.239 366 D CA -0.046 54.138 54.000 0.306 0.000 0.790 366 D CB 1.485 42.479 40.800 0.324 0.000 1.480 366 D HN -0.072 nan 8.370 nan 0.000 0.442 367 A N 2.010 125.037 122.820 0.344 0.000 2.067 367 A HA 0.058 4.380 4.320 0.005 0.000 0.219 367 A C 0.975 178.615 177.584 0.093 0.000 1.158 367 A CA 0.920 53.086 52.037 0.216 0.000 0.661 367 A CB -0.099 18.977 19.000 0.128 0.000 0.801 367 A HN 0.452 nan 8.150 nan 0.000 0.452 368 L N 0.411 121.723 121.223 0.148 0.000 2.337 368 L HA 0.306 4.649 4.340 0.005 0.000 0.269 368 L C 0.548 177.506 176.870 0.146 0.000 1.018 368 L CA -0.465 54.414 54.840 0.065 0.000 0.876 368 L CB 1.376 43.435 42.059 -0.001 0.000 1.236 368 L HN 0.202 nan 8.230 nan 0.000 0.436 369 L N 3.062 124.393 121.223 0.179 0.000 2.079 369 L HA -0.111 4.232 4.340 0.005 0.000 0.210 369 L C -0.463 176.574 176.870 0.278 0.000 1.081 369 L CA 1.364 56.367 54.840 0.272 0.000 0.752 369 L CB -1.017 41.266 42.059 0.373 0.000 0.896 369 L HN 0.509 nan 8.230 nan 0.000 0.433 370 P HA -0.045 nan 4.420 nan 0.000 0.230 370 P C 0.736 178.120 177.300 0.140 0.000 1.158 370 P CA 0.842 64.050 63.100 0.181 0.000 0.769 370 P CB -0.058 31.709 31.700 0.112 0.000 0.807 371 N N -0.834 117.946 118.700 0.133 0.000 2.459 371 N HA -0.038 4.705 4.740 0.005 0.000 0.181 371 N C 0.129 175.717 175.510 0.129 0.000 1.046 371 N CA 0.471 53.594 53.050 0.123 0.000 0.904 371 N CB -0.514 38.054 38.487 0.134 0.000 0.964 371 N HN 0.022 nan 8.380 nan 0.000 0.444 372 V N 2.410 122.410 119.914 0.144 0.000 2.415 372 V HA 0.084 4.207 4.120 0.005 0.000 0.267 372 V C 0.763 176.952 176.094 0.158 0.000 1.042 372 V CA -0.355 61.992 62.300 0.079 0.000 1.000 372 V CB 0.007 31.814 31.823 -0.026 0.000 1.015 372 V HN 0.239 nan 8.190 nan 0.000 0.478 373 T N 1.209 115.835 114.554 0.120 0.000 2.874 373 T HA 0.172 4.524 4.350 0.005 0.000 0.281 373 T C 1.404 176.259 174.700 0.260 0.000 0.994 373 T CA -0.095 62.105 62.100 0.167 0.000 1.015 373 T CB 1.194 70.127 68.868 0.108 0.000 1.028 373 T HN 0.525 nan 8.240 nan 0.000 0.523 374 T N 0.316 115.010 114.554 0.233 0.000 2.699 374 T HA -0.176 4.177 4.350 0.005 0.000 0.268 374 T C 1.711 176.534 174.700 0.204 0.000 1.036 374 T CA 1.951 64.188 62.100 0.228 0.000 1.147 374 T CB -0.436 68.508 68.868 0.128 0.000 0.862 374 T HN 0.853 nan 8.240 nan 0.000 0.446 375 E N 0.758 121.041 120.200 0.139 0.000 2.077 375 E HA -0.167 4.186 4.350 0.005 0.000 0.193 375 E C 2.418 179.076 176.600 0.097 0.000 0.989 375 E CA 0.906 57.368 56.400 0.103 0.000 0.800 375 E CB -0.021 29.723 29.700 0.073 0.000 0.746 375 E HN 0.412 nan 8.360 nan 0.000 0.452 376 R N -0.722 119.821 120.500 0.071 0.000 2.083 376 R HA -0.170 4.173 4.340 0.005 0.000 0.237 376 R C 2.348 178.651 176.300 0.004 0.000 1.137 376 R CA 1.855 57.952 56.100 -0.005 0.000 0.951 376 R CB -0.452 29.800 30.300 -0.081 0.000 0.851 376 R HN 0.284 nan 8.270 nan 0.000 0.434 377 Y N 1.249 121.618 120.300 0.116 0.000 2.114 377 Y HA -0.291 4.262 4.550 0.005 0.000 0.282 377 Y C 2.566 178.572 175.900 0.177 0.000 1.165 377 Y CA 1.733 59.931 58.100 0.163 0.000 1.148 377 Y CB -0.368 38.186 38.460 0.156 0.000 0.972 377 Y HN 0.152 nan 8.280 nan 0.000 0.504 378 Q N -1.081 118.883 119.800 0.273 0.000 2.096 378 Q HA -0.179 4.164 4.340 0.005 0.000 0.204 378 Q C 2.153 178.250 176.000 0.163 0.000 0.982 378 Q CA 2.107 58.021 55.803 0.185 0.000 0.850 378 Q CB -0.468 28.340 28.738 0.116 0.000 0.901 378 Q HN 0.412 nan 8.270 nan 0.000 0.422 379 T N 1.235 115.860 114.554 0.117 0.000 2.867 379 T HA -0.108 4.245 4.350 0.005 0.000 0.268 379 T C 1.659 176.396 174.700 0.061 0.000 1.057 379 T CA 0.693 62.844 62.100 0.086 0.000 1.136 379 T CB -0.128 68.775 68.868 0.059 0.000 0.874 379 T HN 0.062 nan 8.240 nan 0.000 0.466 380 L N 0.202 121.438 121.223 0.021 0.000 2.093 380 L HA 0.183 4.525 4.340 0.005 0.000 0.208 380 L C 1.820 178.557 176.870 -0.221 0.000 1.085 380 L CA 1.452 56.224 54.840 -0.115 0.000 0.755 380 L CB -0.862 41.107 42.059 -0.150 0.000 0.904 380 L HN 0.195 nan 8.230 nan 0.000 0.435 381 F N -0.376 119.522 119.950 -0.087 0.000 2.146 381 F HA -0.160 4.370 4.527 0.005 0.000 0.298 381 F C 2.745 178.520 175.800 -0.042 0.000 1.096 381 F CA 1.583 59.513 58.000 -0.117 0.000 1.275 381 F CB -0.420 38.480 39.000 -0.166 0.000 1.008 381 F HN 0.027 nan 8.300 nan 0.000 0.480 382 R N 0.683 121.279 120.500 0.159 0.000 2.113 382 R HA -0.220 4.123 4.340 0.005 0.000 0.244 382 R C 1.826 178.224 176.300 0.162 0.000 1.142 382 R CA 2.298 58.482 56.100 0.140 0.000 0.953 382 R CB -0.500 29.879 30.300 0.132 0.000 0.860 382 R HN 0.175 nan 8.270 nan 0.000 0.438 383 D N 0.062 120.542 120.400 0.135 0.000 2.123 383 D HA -0.207 4.436 4.640 0.005 0.000 0.196 383 D C 1.985 178.338 176.300 0.089 0.000 0.992 383 D CA 1.634 55.709 54.000 0.127 0.000 0.833 383 D CB -0.192 40.516 40.800 -0.154 0.000 0.954 383 D HN 0.377 nan 8.370 nan 0.000 0.455 384 M N 0.178 119.756 119.600 -0.038 0.000 2.099 384 M HA -0.136 4.347 4.480 0.005 0.000 0.262 384 M C 2.268 178.574 176.300 0.011 0.000 1.067 384 M CA 1.181 56.448 55.300 -0.056 0.000 1.124 384 M CB -0.207 32.266 32.600 -0.212 0.000 1.353 384 M HN -0.108 nan 8.290 nan 0.000 0.410 385 K N 0.776 121.204 120.400 0.047 0.000 2.057 385 K HA -0.181 4.142 4.320 0.005 0.000 0.207 385 K C 1.635 178.291 176.600 0.093 0.000 1.049 385 K CA 1.556 57.882 56.287 0.064 0.000 0.931 385 K CB 0.021 32.569 32.500 0.079 0.000 0.714 385 K HN 0.361 nan 8.250 nan 0.000 0.440 386 E N -0.481 119.812 120.200 0.156 0.000 2.204 386 E HA -0.118 4.235 4.350 0.005 0.000 0.194 386 E C 1.258 177.976 176.600 0.197 0.000 0.989 386 E CA 0.748 57.282 56.400 0.223 0.000 0.824 386 E CB 0.073 29.995 29.700 0.371 0.000 0.756 386 E HN 0.361 nan 8.360 nan 0.000 0.477 387 A N 1.207 124.076 122.820 0.082 0.000 2.302 387 A HA 0.011 4.334 4.320 0.005 0.000 0.219 387 A C 0.153 177.794 177.584 0.095 0.000 1.243 387 A CA -0.159 51.839 52.037 -0.066 0.000 0.856 387 A CB -0.115 18.610 19.000 -0.458 0.000 0.893 387 A HN 0.190 nan 8.150 nan 0.000 0.491 388 N N -1.064 117.697 118.700 0.102 0.000 2.776 388 N HA -0.149 4.594 4.740 0.005 0.000 0.250 388 N C -0.221 175.305 175.510 0.026 0.000 1.112 388 N CA 1.328 54.435 53.050 0.094 0.000 0.733 388 N CB -1.744 36.830 38.487 0.146 0.000 1.097 388 N HN 0.654 nan 8.380 nan 0.000 0.558 389 M N 0.635 120.237 119.600 0.004 0.000 2.242 389 M HA 0.140 4.622 4.480 0.005 0.000 0.344 389 M C 1.377 177.583 176.300 -0.156 0.000 1.140 389 M CA 0.158 55.386 55.300 -0.120 0.000 1.160 389 M CB 0.446 32.999 32.600 -0.077 0.000 1.491 389 M HN 0.142 nan 8.290 nan 0.000 0.459 390 N N 1.328 119.892 118.700 -0.227 0.000 2.159 390 N HA 0.299 5.042 4.740 0.005 0.000 0.217 390 N C -0.576 174.831 175.510 -0.172 0.000 1.223 390 N CA -0.229 52.697 53.050 -0.207 0.000 0.896 390 N CB 0.848 39.157 38.487 -0.296 0.000 1.064 390 N HN 0.737 nan 8.380 nan 0.000 0.518 391 M N 0.224 119.722 119.600 -0.172 0.000 2.414 391 M HA 0.482 4.965 4.480 0.005 0.000 0.287 391 M C -2.193 174.037 176.300 -0.117 0.000 1.181 391 M CA -0.874 54.346 55.300 -0.133 0.000 0.933 391 M CB 2.382 34.876 32.600 -0.175 0.000 1.732 391 M HN -0.175 nan 8.290 nan 0.000 0.486 392 V N 3.918 123.795 119.914 -0.062 0.000 2.709 392 V HA 0.650 4.772 4.120 0.005 0.000 0.308 392 V C -1.394 174.704 176.094 0.007 0.000 1.062 392 V CA -0.613 61.646 62.300 -0.068 0.000 0.901 392 V CB 2.335 34.102 31.823 -0.092 0.000 1.003 392 V HN 0.967 nan 8.190 nan 0.000 0.425 393 R N 6.109 126.568 120.500 -0.068 0.000 2.207 393 R HA 0.544 4.887 4.340 0.005 0.000 0.334 393 R C -0.776 175.535 176.300 0.019 0.000 1.013 393 R CA -0.524 55.512 56.100 -0.107 0.000 0.858 393 R CB 0.824 30.857 30.300 -0.446 0.000 1.094 393 R HN 0.769 nan 8.270 nan 0.000 0.457 394 I N 6.017 126.635 120.570 0.081 0.000 2.278 394 I HA 0.086 4.258 4.170 0.005 0.000 0.296 394 I C -0.021 176.174 176.117 0.131 0.000 1.121 394 I CA -0.492 60.864 61.300 0.094 0.000 1.267 394 I CB 0.106 38.068 38.000 -0.064 0.000 1.447 394 I HN 0.607 nan 8.210 nan 0.000 0.509 395 W N 6.022 127.290 121.300 -0.054 0.000 2.170 395 W HA 0.337 5.000 4.660 0.004 0.000 0.336 395 W C 1.309 177.798 176.519 -0.050 0.000 1.283 395 W CA -0.404 56.936 57.345 -0.009 0.000 1.224 395 W CB 0.992 30.505 29.460 0.089 0.000 1.132 395 W HN 0.545 nan 8.180 nan 0.000 0.571 396 G N 2.464 110.817 108.800 -0.745 0.000 2.776 396 G HA2 -0.010 3.953 3.960 0.005 0.000 0.209 396 G HA3 -0.010 3.953 3.960 0.005 0.000 0.209 396 G C 1.031 175.330 174.900 -1.002 0.000 1.145 396 G CA 0.422 45.085 45.100 -0.728 0.000 0.791 396 G HN 0.851 nan 8.290 nan 0.000 0.530 397 G N -0.412 107.222 108.800 -1.943 0.000 3.233 397 G HA2 0.440 4.403 3.960 0.005 0.000 0.227 397 G HA3 0.440 4.403 3.960 0.005 0.000 0.227 397 G C 0.801 175.377 174.900 -0.540 0.000 1.175 397 G CA 0.650 44.905 45.100 -1.408 0.000 0.781 397 G HN 0.522 nan 8.290 nan 0.000 0.542 398 G N 0.044 108.607 108.800 -0.394 0.000 3.434 398 G HA2 0.523 4.485 3.960 0.005 0.000 0.197 398 G HA3 0.523 4.485 3.960 0.005 0.000 0.197 398 G C 0.081 174.902 174.900 -0.132 0.000 1.559 398 G CA 0.576 45.560 45.100 -0.194 0.000 0.852 398 G HN 0.595 nan 8.290 nan 0.000 0.682 399 T N -2.673 111.806 114.554 -0.126 0.000 2.906 399 T HA 0.569 4.922 4.350 0.005 0.000 0.295 399 T C -1.172 173.417 174.700 -0.185 0.000 1.075 399 T CA -0.716 61.347 62.100 -0.061 0.000 1.005 399 T CB 1.531 70.578 68.868 0.299 0.000 1.136 399 T HN 0.292 nan 8.240 nan 0.000 0.498 400 Y N 1.513 121.795 120.300 -0.030 0.000 2.605 400 Y HA 0.299 4.852 4.550 0.005 0.000 0.336 400 Y C 1.416 177.449 175.900 0.222 0.000 1.111 400 Y CA -0.491 57.654 58.100 0.075 0.000 1.422 400 Y CB 0.158 38.661 38.460 0.071 0.000 1.193 400 Y HN 0.522 nan 8.280 nan 0.000 0.526 401 E N 2.625 123.010 120.200 0.308 0.000 2.391 401 E HA 0.000 4.353 4.350 0.005 0.000 0.255 401 E C -0.053 176.758 176.600 0.352 0.000 1.187 401 E CA -0.358 56.144 56.400 0.169 0.000 0.941 401 E CB 0.443 29.837 29.700 -0.510 0.000 1.010 401 E HN 0.743 nan 8.360 nan 0.000 0.458 402 N N 1.126 119.953 118.700 0.212 0.000 2.371 402 N HA -0.049 4.694 4.740 0.005 0.000 0.243 402 N C 0.548 176.173 175.510 0.191 0.000 1.287 402 N CA -0.142 52.987 53.050 0.132 0.000 0.911 402 N CB 0.216 38.694 38.487 -0.015 0.000 1.142 402 N HN 0.248 nan 8.380 nan 0.000 0.451 403 N N -0.088 118.686 118.700 0.124 0.000 2.094 403 N HA -0.172 4.571 4.740 0.005 0.000 0.191 403 N C 1.486 177.034 175.510 0.064 0.000 1.023 403 N CA 0.829 53.968 53.050 0.148 0.000 0.857 403 N CB -0.537 38.018 38.487 0.114 0.000 1.013 403 N HN 0.564 nan 8.380 nan 0.000 0.426 404 L N 0.630 121.809 121.223 -0.073 0.000 2.013 404 L HA -0.143 4.200 4.340 0.005 0.000 0.212 404 L C 2.154 178.856 176.870 -0.281 0.000 1.073 404 L CA 1.436 56.159 54.840 -0.195 0.000 0.753 404 L CB -0.969 40.907 42.059 -0.306 0.000 0.890 404 L HN 0.071 nan 8.230 nan 0.000 0.432 405 F N -0.929 118.733 119.950 -0.480 0.000 2.115 405 F HA -0.363 4.167 4.527 0.005 0.000 0.300 405 F C 1.968 177.435 175.800 -0.556 0.000 1.092 405 F CA 2.134 59.883 58.000 -0.418 0.000 1.245 405 F CB -0.324 38.444 39.000 -0.386 0.000 0.995 405 F HN 0.206 nan 8.300 nan 0.000 0.481 406 Y N -0.220 119.964 120.300 -0.194 0.000 2.365 406 Y HA -0.118 4.434 4.550 0.005 0.000 0.293 406 Y C 2.294 177.892 175.900 -0.503 0.000 1.119 406 Y CA 0.805 58.616 58.100 -0.482 0.000 1.203 406 Y CB -0.684 37.165 38.460 -1.020 0.000 1.026 406 Y HN -0.006 nan 8.280 nan 0.000 0.549 407 D N 0.446 120.732 120.400 -0.191 0.000 2.149 407 D HA -0.162 4.481 4.640 0.005 0.000 0.198 407 D C 2.093 178.247 176.300 -0.244 0.000 0.990 407 D CA 1.277 55.236 54.000 -0.068 0.000 0.839 407 D CB -0.346 40.446 40.800 -0.014 0.000 0.948 407 D HN 0.324 nan 8.370 nan 0.000 0.460 408 L N 0.565 121.462 121.223 -0.543 0.000 2.093 408 L HA -0.093 4.250 4.340 0.005 0.000 0.208 408 L C 2.558 178.827 176.870 -1.003 0.000 1.085 408 L CA 0.972 55.290 54.840 -0.870 0.000 0.755 408 L CB -0.377 40.884 42.059 -1.330 0.000 0.904 408 L HN -0.037 nan 8.230 nan 0.000 0.435 409 A N 0.082 122.274 122.820 -1.045 0.000 1.902 409 A HA -0.239 4.084 4.320 0.005 0.000 0.217 409 A C 1.897 179.485 177.584 0.007 0.000 1.181 409 A CA 2.000 53.824 52.037 -0.355 0.000 0.623 409 A CB -0.555 18.347 19.000 -0.164 0.000 0.818 409 A HN 0.352 nan 8.150 nan 0.000 0.443 410 D N 0.026 120.448 120.400 0.038 0.000 2.103 410 D HA -0.214 4.429 4.640 0.005 0.000 0.190 410 D C 1.968 178.487 176.300 0.366 0.000 0.997 410 D CA 1.856 56.022 54.000 0.276 0.000 0.833 410 D CB -0.627 40.274 40.800 0.169 0.000 0.961 410 D HN 0.869 nan 8.370 nan 0.000 0.447 411 E N 0.015 120.284 120.200 0.114 0.000 2.418 411 E HA -0.074 4.279 4.350 0.005 0.000 0.197 411 E C 1.070 177.678 176.600 0.013 0.000 1.026 411 E CA 0.649 57.092 56.400 0.072 0.000 0.862 411 E CB -0.112 29.594 29.700 0.011 0.000 0.799 411 E HN 0.191 nan 8.360 nan 0.000 0.518 412 N N 0.375 119.074 118.700 -0.001 0.000 2.205 412 N HA 0.060 4.803 4.740 0.005 0.000 0.201 412 N C 0.584 176.083 175.510 -0.019 0.000 1.128 412 N CA 0.679 53.729 53.050 0.000 0.000 0.867 412 N CB 1.332 39.850 38.487 0.051 0.000 0.996 412 N HN 0.369 nan 8.380 nan 0.000 0.503 413 G N 1.633 110.429 108.800 -0.006 0.000 2.198 413 G HA2 -0.217 3.746 3.960 0.005 0.000 0.257 413 G HA3 -0.217 3.746 3.960 0.005 0.000 0.257 413 G C -0.213 174.684 174.900 -0.005 0.000 1.042 413 G CA -0.196 44.785 45.100 -0.198 0.000 0.791 413 G HN 0.186 nan 8.290 nan 0.000 0.502 414 I N 0.680 121.345 120.570 0.159 0.000 2.312 414 I HA 0.404 4.577 4.170 0.005 0.000 0.290 414 I C 0.826 177.055 176.117 0.186 0.000 1.008 414 I CA -1.581 59.786 61.300 0.113 0.000 1.226 414 I CB 0.956 39.028 38.000 0.120 0.000 1.371 414 I HN -0.070 nan 8.210 nan 0.000 0.468 415 L N 6.917 128.213 121.223 0.121 0.000 2.485 415 L HA 0.115 4.458 4.340 0.005 0.000 0.275 415 L C 0.249 177.149 176.870 0.051 0.000 1.207 415 L CA 0.386 55.274 54.840 0.080 0.000 0.855 415 L CB 0.428 42.455 42.059 -0.052 0.000 1.114 415 L HN 0.246 nan 8.230 nan 0.000 0.485 416 V N 2.623 122.582 119.914 0.076 0.000 2.347 416 V HA 0.218 4.340 4.120 0.005 0.000 0.280 416 V C -0.646 175.538 176.094 0.149 0.000 1.021 416 V CA -0.684 61.689 62.300 0.122 0.000 0.847 416 V CB 1.341 33.266 31.823 0.171 0.000 0.990 416 V HN 0.721 nan 8.190 nan 0.000 0.444 417 W N 6.184 127.477 121.300 -0.011 0.000 2.308 417 W HA 0.526 5.189 4.660 0.005 0.000 0.311 417 W C -0.407 176.100 176.519 -0.020 0.000 1.088 417 W CA -1.244 56.117 57.345 0.027 0.000 1.309 417 W CB 1.229 30.755 29.460 0.110 0.000 1.229 417 W HN 0.630 nan 8.180 nan 0.000 0.427 418 Q N 4.837 124.754 119.800 0.195 0.000 2.398 418 Q HA 0.201 4.544 4.340 0.005 0.000 0.251 418 Q C -0.657 175.451 176.000 0.180 0.000 0.999 418 Q CA -0.075 55.749 55.803 0.035 0.000 0.874 418 Q CB 0.494 28.929 28.738 -0.504 0.000 1.215 418 Q HN 0.296 nan 8.270 nan 0.000 0.470 419 D N 2.920 123.487 120.400 0.279 0.000 2.382 419 D HA 0.099 4.741 4.640 0.005 0.000 0.240 419 D C -0.341 176.023 176.300 0.107 0.000 1.146 419 D CA 0.188 54.340 54.000 0.254 0.000 0.897 419 D CB 0.382 41.278 40.800 0.161 0.000 1.197 419 D HN 0.419 nan 8.370 nan 0.000 0.432 420 F N 0.600 120.782 119.950 0.386 0.000 2.444 420 F HA 0.081 4.610 4.527 0.005 0.000 0.331 420 F C 1.464 177.194 175.800 -0.117 0.000 1.167 420 F CA -0.272 57.941 58.000 0.356 0.000 1.262 420 F CB 0.392 39.787 39.000 0.657 0.000 1.196 420 F HN 0.041 nan 8.300 nan 0.000 0.583 421 M N 3.870 123.191 119.600 -0.465 0.000 3.596 421 M HA 0.176 4.659 4.480 0.005 0.000 0.219 421 M C -1.499 174.253 176.300 -0.913 0.000 1.471 421 M CA 0.313 55.111 55.300 -0.837 0.000 1.644 421 M CB -1.710 30.080 32.600 -1.349 0.000 1.083 421 M HN 0.268 nan 8.290 nan 0.000 0.579 422 F N 0.523 120.395 119.950 -0.129 0.000 2.539 422 F HA 0.730 5.260 4.527 0.005 0.000 0.318 422 F C -0.077 175.731 175.800 0.013 0.000 1.135 422 F CA -0.994 56.922 58.000 -0.139 0.000 0.915 422 F CB 1.744 40.699 39.000 -0.075 0.000 1.176 422 F HN 0.318 nan 8.300 nan 0.000 0.440 423 A N 1.110 124.178 122.820 0.413 0.000 2.488 423 A HA 0.604 4.927 4.320 0.005 0.000 0.295 423 A C 0.053 177.983 177.584 0.578 0.000 1.045 423 A CA -0.689 51.562 52.037 0.357 0.000 0.703 423 A CB 0.796 19.802 19.000 0.010 0.000 1.271 423 A HN 1.094 nan 8.150 nan 0.000 0.400 424 C N 0.037 119.641 119.300 0.507 0.000 4.784 424 C HA -0.120 4.342 4.460 0.005 0.000 0.261 424 C C 0.924 176.200 174.990 0.477 0.000 1.492 424 C CA 1.673 61.019 59.018 0.546 0.000 1.622 424 C CB -2.262 25.822 27.740 0.574 0.000 1.855 424 C HN 1.691 nan 8.230 nan 0.000 0.662 425 T N 0.164 114.938 114.554 0.366 0.000 2.900 425 T HA 0.610 4.963 4.350 0.005 0.000 0.303 425 T C -2.843 172.010 174.700 0.255 0.000 1.142 425 T CA -1.083 61.162 62.100 0.241 0.000 1.007 425 T CB 2.409 71.251 68.868 -0.043 0.000 1.156 425 T HN -0.003 nan 8.240 nan 0.000 0.490 426 P HA 0.308 nan 4.420 nan 0.000 0.272 426 P C -1.278 176.085 177.300 0.105 0.000 1.240 426 P CA -0.131 63.171 63.100 0.336 0.000 0.791 426 P CB 0.491 32.363 31.700 0.286 0.000 0.978 427 Y N -0.523 119.854 120.300 0.129 0.000 2.630 427 Y HA 0.446 4.999 4.550 0.005 0.000 0.337 427 Y C -1.707 174.015 175.900 -0.298 0.000 1.051 427 Y CA -2.366 55.613 58.100 -0.200 0.000 1.121 427 Y CB 0.887 39.391 38.460 0.074 0.000 1.299 427 Y HN 0.255 nan 8.280 nan 0.000 0.498 428 P HA 0.064 nan 4.420 nan 0.000 0.271 428 P C -0.329 176.894 177.300 -0.127 0.000 1.233 428 P CA 0.103 62.983 63.100 -0.368 0.000 0.789 428 P CB 0.611 31.887 31.700 -0.707 0.000 0.951 429 S N -2.358 113.373 115.700 0.052 0.000 3.073 429 S HA 0.109 4.582 4.470 0.005 0.000 0.252 429 S C -0.047 174.630 174.600 0.127 0.000 0.953 429 S CA -0.688 57.585 58.200 0.122 0.000 1.105 429 S CB -0.645 62.584 63.200 0.049 0.000 1.070 429 S HN 0.468 nan 8.310 nan 0.000 0.574 430 D N 1.562 122.055 120.400 0.156 0.000 2.357 430 D HA 0.207 4.850 4.640 0.005 0.000 0.242 430 D C -1.958 174.420 176.300 0.130 0.000 1.153 430 D CA -1.215 52.861 54.000 0.125 0.000 0.918 430 D CB 0.582 41.456 40.800 0.124 0.000 1.181 430 D HN -0.055 nan 8.370 nan 0.000 0.435 431 P HA -0.167 nan 4.420 nan 0.000 0.216 431 P C 1.457 178.800 177.300 0.071 0.000 1.157 431 P CA 1.821 64.954 63.100 0.055 0.000 0.880 431 P CB 0.035 31.755 31.700 0.033 0.000 0.791 432 T N -1.314 113.300 114.554 0.099 0.000 2.708 432 T HA -0.165 4.188 4.350 0.005 0.000 0.266 432 T C 1.445 176.238 174.700 0.156 0.000 1.037 432 T CA 1.045 63.211 62.100 0.110 0.000 1.146 432 T CB -1.006 67.934 68.868 0.120 0.000 0.865 432 T HN 0.001 nan 8.240 nan 0.000 0.435 433 F N 1.634 121.623 119.950 0.065 0.000 2.120 433 F HA -0.077 4.453 4.527 0.005 0.000 0.300 433 F C 1.896 177.722 175.800 0.045 0.000 1.095 433 F CA 1.195 59.244 58.000 0.082 0.000 1.249 433 F CB -0.428 38.631 39.000 0.097 0.000 0.995 433 F HN 0.092 nan 8.300 nan 0.000 0.480 434 L N -0.500 120.739 121.223 0.026 0.000 2.156 434 L HA -0.163 4.180 4.340 0.005 0.000 0.208 434 L C 2.531 179.317 176.870 -0.141 0.000 1.095 434 L CA 0.795 55.564 54.840 -0.120 0.000 0.770 434 L CB -0.674 41.348 42.059 -0.063 0.000 0.914 434 L HN -0.027 nan 8.230 nan 0.000 0.439 435 K N 0.620 120.977 120.400 -0.072 0.000 2.026 435 K HA -0.140 4.183 4.320 0.005 0.000 0.208 435 K C 2.179 178.734 176.600 -0.075 0.000 1.048 435 K CA 1.350 57.602 56.287 -0.058 0.000 0.929 435 K CB -0.272 32.219 32.500 -0.015 0.000 0.713 435 K HN 0.275 nan 8.250 nan 0.000 0.439 436 R N 0.204 120.652 120.500 -0.085 0.000 2.083 436 R HA -0.109 4.233 4.340 0.005 0.000 0.237 436 R C 2.330 178.551 176.300 -0.132 0.000 1.137 436 R CA 1.443 57.489 56.100 -0.090 0.000 0.951 436 R CB -0.517 29.723 30.300 -0.100 0.000 0.851 436 R HN -0.029 nan 8.270 nan 0.000 0.434 437 V N 1.081 120.846 119.914 -0.249 0.000 2.427 437 V HA -0.226 3.897 4.120 0.005 0.000 0.248 437 V C 2.314 178.330 176.094 -0.130 0.000 1.051 437 V CA 1.744 63.937 62.300 -0.178 0.000 1.048 437 V CB -0.501 31.163 31.823 -0.264 0.000 0.666 437 V HN 0.399 nan 8.190 nan 0.000 0.456 438 E N 0.177 120.281 120.200 -0.161 0.000 2.118 438 E HA -0.254 4.099 4.350 0.005 0.000 0.195 438 E C 2.213 178.735 176.600 -0.131 0.000 0.992 438 E CA 1.478 57.786 56.400 -0.153 0.000 0.804 438 E CB -0.108 29.515 29.700 -0.128 0.000 0.741 438 E HN 0.594 nan 8.360 nan 0.000 0.458 439 A N 1.640 124.403 122.820 -0.095 0.000 1.872 439 A HA -0.211 4.111 4.320 0.005 0.000 0.214 439 A C 2.054 179.600 177.584 -0.063 0.000 1.187 439 A CA 1.517 53.506 52.037 -0.080 0.000 0.614 439 A CB -0.619 18.350 19.000 -0.051 0.000 0.826 439 A HN 0.504 nan 8.150 nan 0.000 0.442 440 E N 0.439 120.622 120.200 -0.028 0.000 2.118 440 E HA -0.146 4.207 4.350 0.005 0.000 0.195 440 E C 1.985 178.536 176.600 -0.082 0.000 0.992 440 E CA 1.390 57.803 56.400 0.020 0.000 0.804 440 E CB -0.391 29.408 29.700 0.166 0.000 0.741 440 E HN 0.447 nan 8.360 nan 0.000 0.458 441 A N 1.374 124.136 122.820 -0.096 0.000 1.858 441 A HA -0.100 4.222 4.320 0.005 0.000 0.216 441 A C 2.549 179.965 177.584 -0.280 0.000 1.190 441 A CA 1.604 53.561 52.037 -0.132 0.000 0.617 441 A CB -0.894 17.967 19.000 -0.231 0.000 0.827 441 A HN 0.209 nan 8.150 nan 0.000 0.443 442 V N -1.208 118.508 119.914 -0.330 0.000 2.332 442 V HA -0.291 3.832 4.120 0.005 0.000 0.248 442 V C 2.368 178.192 176.094 -0.449 0.000 1.055 442 V CA 2.248 64.206 62.300 -0.569 0.000 1.038 442 V CB -1.014 30.449 31.823 -0.601 0.000 0.651 442 V HN 0.713 nan 8.190 nan 0.000 0.450 443 Y N 1.665 121.753 120.300 -0.354 0.000 2.114 443 Y HA -0.199 4.354 4.550 0.005 0.000 0.284 443 Y C 2.521 178.256 175.900 -0.275 0.000 1.143 443 Y CA 2.112 60.041 58.100 -0.285 0.000 1.135 443 Y CB -0.331 37.992 38.460 -0.228 0.000 0.980 443 Y HN 0.277 nan 8.280 nan 0.000 0.499 444 N N 0.308 118.773 118.700 -0.392 0.000 2.300 444 N HA -0.105 4.638 4.740 0.005 0.000 0.179 444 N C 1.968 177.287 175.510 -0.319 0.000 1.016 444 N CA 1.489 54.267 53.050 -0.453 0.000 0.876 444 N CB -0.139 38.010 38.487 -0.564 0.000 0.979 444 N HN 0.432 nan 8.380 nan 0.000 0.432 445 I N 1.398 121.748 120.570 -0.366 0.000 2.208 445 I HA -0.255 3.918 4.170 0.005 0.000 0.245 445 I C 2.341 178.297 176.117 -0.269 0.000 1.097 445 I CA 1.276 62.391 61.300 -0.309 0.000 1.363 445 I CB -0.078 37.618 38.000 -0.507 0.000 1.051 445 I HN 0.048 nan 8.210 nan 0.000 0.413 446 R N -0.062 120.198 120.500 -0.400 0.000 2.119 446 R HA -0.080 4.263 4.340 0.005 0.000 0.222 446 R C 2.399 178.483 176.300 -0.360 0.000 1.088 446 R CA 0.696 56.568 56.100 -0.380 0.000 0.984 446 R CB -0.276 29.798 30.300 -0.377 0.000 0.884 446 R HN 0.242 nan 8.270 nan 0.000 0.447 447 R N 0.855 121.080 120.500 -0.458 0.000 2.105 447 R HA -0.108 4.235 4.340 0.005 0.000 0.239 447 R C 1.464 177.596 176.300 -0.280 0.000 1.135 447 R CA 1.408 57.263 56.100 -0.409 0.000 0.967 447 R CB -0.008 29.961 30.300 -0.552 0.000 0.861 447 R HN 0.202 nan 8.270 nan 0.000 0.442 448 L N 0.111 121.191 121.223 -0.237 0.000 2.664 448 L HA 0.168 4.511 4.340 0.005 0.000 0.233 448 L C 1.954 178.748 176.870 -0.126 0.000 1.113 448 L CA -0.108 54.623 54.840 -0.182 0.000 0.896 448 L CB 0.077 41.931 42.059 -0.341 0.000 1.163 448 L HN 0.162 nan 8.230 nan 0.000 0.497 449 R N -0.481 119.925 120.500 -0.157 0.000 2.307 449 R HA 0.015 4.358 4.340 0.005 0.000 0.199 449 R C 0.831 177.041 176.300 -0.149 0.000 1.000 449 R CA 0.691 56.728 56.100 -0.104 0.000 1.023 449 R CB -0.341 29.852 30.300 -0.178 0.000 0.908 449 R HN 0.317 nan 8.270 nan 0.000 0.473 450 N N 0.549 119.040 118.700 -0.348 0.000 2.336 450 N HA -0.005 4.738 4.740 0.005 0.000 0.189 450 N C -0.464 174.755 175.510 -0.485 0.000 1.113 450 N CA 0.176 52.928 53.050 -0.496 0.000 0.858 450 N CB 0.180 38.106 38.487 -0.933 0.000 0.970 450 N HN 0.299 nan 8.380 nan 0.000 0.471 451 H N 0.531 119.439 119.070 -0.270 0.000 2.742 451 H HA 0.203 4.761 4.556 0.005 0.000 0.302 451 H C 1.010 176.152 175.328 -0.310 0.000 1.069 451 H CA -0.257 55.648 56.048 -0.237 0.000 1.446 451 H CB 1.563 31.234 29.762 -0.152 0.000 1.462 451 H HN 0.062 nan 8.280 nan 0.000 0.499 452 A N 3.403 126.024 122.820 -0.331 0.000 1.940 452 A HA -0.230 4.093 4.320 0.005 0.000 0.219 452 A C 2.394 179.474 177.584 -0.839 0.000 1.176 452 A CA 1.974 53.564 52.037 -0.744 0.000 0.631 452 A CB -0.496 17.743 19.000 -1.267 0.000 0.814 452 A HN 0.736 nan 8.150 nan 0.000 0.446 453 S N -0.887 114.537 115.700 -0.460 0.000 2.423 453 S HA 0.009 4.482 4.470 0.005 0.000 0.231 453 S C 0.748 175.297 174.600 -0.085 0.000 1.014 453 S CA 0.558 58.649 58.200 -0.181 0.000 0.965 453 S CB -0.711 62.512 63.200 0.038 0.000 0.785 453 S HN 0.392 nan 8.310 nan 0.000 0.495 454 L N 1.996 123.170 121.223 -0.080 0.000 2.562 454 L HA 0.475 4.818 4.340 0.005 0.000 0.271 454 L C 0.889 177.707 176.870 -0.087 0.000 1.167 454 L CA 0.192 54.977 54.840 -0.091 0.000 0.917 454 L CB 0.284 42.258 42.059 -0.142 0.000 1.187 454 L HN 0.240 nan 8.230 nan 0.000 0.482 455 A N 6.394 129.188 122.820 -0.042 0.000 2.013 455 A HA 0.445 4.768 4.320 0.005 0.000 0.204 455 A C 0.461 178.093 177.584 0.079 0.000 1.262 455 A CA 0.862 52.940 52.037 0.068 0.000 0.800 455 A CB 0.096 19.195 19.000 0.166 0.000 0.909 455 A HN 0.755 nan 8.150 nan 0.000 0.472 456 M N -4.318 115.255 119.600 -0.045 0.000 2.732 456 M HA 0.641 5.124 4.480 0.005 0.000 0.272 456 M C -2.236 173.898 176.300 -0.277 0.000 1.203 456 M CA -0.698 54.569 55.300 -0.056 0.000 0.841 456 M CB 0.988 33.594 32.600 0.012 0.000 1.685 456 M HN 0.068 nan 8.290 nan 0.000 0.492 457 W N 0.619 121.917 121.300 -0.004 0.000 2.639 457 W HA 0.777 5.440 4.660 0.005 0.000 0.347 457 W C -0.882 175.602 176.519 -0.059 0.000 1.067 457 W CA -0.284 57.078 57.345 0.029 0.000 1.218 457 W CB 1.947 31.552 29.460 0.241 0.000 1.393 457 W HN 0.869 nan 8.180 nan 0.000 0.557 458 C N 1.832 121.310 119.300 0.296 0.000 2.535 458 C HA 0.609 5.072 4.460 0.005 0.000 0.319 458 C C 1.421 176.675 174.990 0.440 0.000 1.171 458 C CA -0.009 59.103 59.018 0.157 0.000 1.394 458 C CB 0.586 28.520 27.740 0.323 0.000 1.990 458 C HN 0.972 nan 8.230 nan 0.000 0.466 459 G N 3.753 112.714 108.800 0.268 0.000 2.422 459 G HA2 0.088 4.050 3.960 0.005 0.000 0.218 459 G HA3 0.088 4.050 3.960 0.005 0.000 0.218 459 G C 0.253 175.396 174.900 0.405 0.000 1.146 459 G CA 1.360 46.811 45.100 0.586 0.000 0.769 459 G HN 1.128 nan 8.290 nan 0.000 0.547 460 N N -2.497 116.264 118.700 0.101 0.000 3.227 460 N HA 0.203 4.946 4.740 0.005 0.000 0.241 460 N C -1.658 173.909 175.510 0.094 0.000 1.480 460 N CA -0.933 52.142 53.050 0.043 0.000 0.886 460 N CB 0.579 38.842 38.487 -0.373 0.000 1.406 460 N HN -0.035 nan 8.380 nan 0.000 0.514 461 N N 0.001 118.770 118.700 0.114 0.000 2.439 461 N HA 0.266 5.009 4.740 0.005 0.000 0.249 461 N C -0.893 174.751 175.510 0.222 0.000 1.003 461 N CA -0.095 53.084 53.050 0.216 0.000 0.942 461 N CB 0.305 38.907 38.487 0.191 0.000 1.115 461 N HN 0.765 nan 8.380 nan 0.000 0.505 462 E N 1.457 121.746 120.200 0.149 0.000 3.496 462 E HA -0.262 4.090 4.350 0.005 0.000 0.300 462 E C 0.554 177.072 176.600 -0.137 0.000 0.877 462 E CA 0.601 57.029 56.400 0.046 0.000 1.050 462 E CB -1.233 28.634 29.700 0.279 0.000 1.532 462 E HN 0.683 nan 8.360 nan 0.000 0.447 463 I N -0.151 120.404 120.570 -0.026 0.000 2.353 463 I HA -0.196 3.977 4.170 0.005 0.000 0.248 463 I C 2.340 178.367 176.117 -0.149 0.000 1.119 463 I CA 0.879 62.182 61.300 0.005 0.000 1.417 463 I CB -0.148 37.975 38.000 0.205 0.000 1.078 463 I HN 0.147 nan 8.210 nan 0.000 0.421 464 L N 0.912 122.021 121.223 -0.189 0.000 2.156 464 L HA -0.141 4.202 4.340 0.005 0.000 0.208 464 L C 2.371 178.992 176.870 -0.414 0.000 1.095 464 L CA 1.730 56.324 54.840 -0.410 0.000 0.770 464 L CB -0.570 41.300 42.059 -0.315 0.000 0.914 464 L HN 0.209 nan 8.230 nan 0.000 0.439 465 E N -0.334 119.644 120.200 -0.371 0.000 2.051 465 E HA -0.241 4.112 4.350 0.005 0.000 0.192 465 E C 2.130 178.189 176.600 -0.902 0.000 0.991 465 E CA 1.130 57.292 56.400 -0.397 0.000 0.799 465 E CB -0.177 29.402 29.700 -0.202 0.000 0.748 465 E HN 0.598 nan 8.360 nan 0.000 0.449 466 A N 1.229 123.239 122.820 -1.351 0.000 1.884 466 A HA -0.223 4.100 4.320 0.005 0.000 0.219 466 A C 2.229 179.211 177.584 -1.003 0.000 1.197 466 A CA 1.622 52.694 52.037 -1.607 0.000 0.637 466 A CB -0.860 17.637 19.000 -0.837 0.000 0.827 466 A HN 0.357 nan 8.150 nan 0.000 0.450 467 L N -1.358 119.543 121.223 -0.537 0.000 2.156 467 L HA -0.143 4.200 4.340 0.005 0.000 0.208 467 L C 2.527 179.220 176.870 -0.296 0.000 1.095 467 L CA 1.540 56.229 54.840 -0.252 0.000 0.770 467 L CB -0.243 41.704 42.059 -0.186 0.000 0.914 467 L HN 0.368 nan 8.230 nan 0.000 0.439 468 K N -1.378 118.694 120.400 -0.547 0.000 2.186 468 K HA -0.049 4.274 4.320 0.005 0.000 0.202 468 K C 0.937 177.085 176.600 -0.754 0.000 1.052 468 K CA 1.040 56.875 56.287 -0.753 0.000 0.965 468 K CB 0.243 32.000 32.500 -1.239 0.000 0.746 468 K HN 0.200 nan 8.250 nan 0.000 0.457 469 Y N -2.880 117.256 120.300 -0.274 0.000 2.540 469 Y HA 0.123 4.676 4.550 0.005 0.000 0.257 469 Y C 0.471 176.397 175.900 0.044 0.000 1.090 469 Y CA -0.879 57.150 58.100 -0.118 0.000 1.242 469 Y CB 0.420 38.838 38.460 -0.070 0.000 1.325 469 Y HN 0.058 nan 8.280 nan 0.000 0.544 470 W N 0.749 121.872 121.300 -0.295 0.000 3.330 470 W HA 0.541 5.204 4.660 0.005 0.000 0.348 470 W C 1.292 177.673 176.519 -0.231 0.000 1.205 470 W CA -0.052 57.108 57.345 -0.308 0.000 1.841 470 W CB -0.469 28.751 29.460 -0.400 0.000 1.084 470 W HN 0.211 nan 8.180 nan 0.000 0.665 471 G N 0.113 108.918 108.800 0.008 0.000 2.160 471 G HA2 -0.356 3.607 3.960 0.005 0.000 0.244 471 G HA3 -0.356 3.607 3.960 0.005 0.000 0.244 471 G C 0.700 175.733 174.900 0.223 0.000 1.022 471 G CA 0.150 45.297 45.100 0.079 0.000 0.741 471 G HN 0.094 nan 8.290 nan 0.000 0.508 472 F N 0.745 120.781 119.950 0.143 0.000 2.161 472 F HA 0.009 4.539 4.527 0.005 0.000 0.300 472 F C 2.377 178.233 175.800 0.095 0.000 1.089 472 F CA 1.300 59.447 58.000 0.245 0.000 1.282 472 F CB -0.635 38.593 39.000 0.381 0.000 1.010 472 F HN 0.447 nan 8.300 nan 0.000 0.485 473 E N 0.069 120.223 120.200 -0.077 0.000 2.463 473 E HA -0.160 4.193 4.350 0.005 0.000 0.201 473 E C 2.005 178.545 176.600 -0.100 0.000 1.045 473 E CA 1.142 57.354 56.400 -0.313 0.000 0.872 473 E CB -0.198 29.180 29.700 -0.537 0.000 0.797 473 E HN 0.507 nan 8.360 nan 0.000 0.538 474 K N 0.985 121.371 120.400 -0.023 0.000 2.358 474 K HA 0.135 4.458 4.320 0.005 0.000 0.200 474 K C 1.367 177.930 176.600 -0.062 0.000 1.030 474 K CA 0.011 56.279 56.287 -0.031 0.000 1.097 474 K CB 0.239 32.728 32.500 -0.017 0.000 0.862 474 K HN -0.063 nan 8.250 nan 0.000 0.534 475 K N -1.038 119.306 120.400 -0.094 0.000 2.402 475 K HA 0.350 4.673 4.320 0.005 0.000 0.203 475 K C -1.062 175.093 176.600 -0.742 0.000 1.077 475 K CA -0.060 56.000 56.287 -0.379 0.000 1.051 475 K CB 0.548 32.786 32.500 -0.437 0.000 0.907 475 K HN 0.284 nan 8.250 nan 0.000 0.554 476 F N 0.277 120.195 119.950 -0.053 0.000 2.626 476 F HA 0.135 4.665 4.527 0.005 0.000 0.311 476 F C 0.514 176.272 175.800 -0.070 0.000 1.088 476 F CA -1.311 56.626 58.000 -0.104 0.000 0.949 476 F CB 1.200 40.095 39.000 -0.176 0.000 1.322 476 F HN -0.185 nan 8.300 nan 0.000 0.461 477 T N -1.171 113.455 114.554 0.120 0.000 2.855 477 T HA 0.154 4.507 4.350 0.005 0.000 0.314 477 T C -2.083 172.673 174.700 0.092 0.000 1.077 477 T CA -1.053 61.089 62.100 0.070 0.000 1.095 477 T CB 0.888 69.784 68.868 0.047 0.000 0.987 477 T HN 0.310 nan 8.240 nan 0.000 0.546 478 P HA -0.041 nan 4.420 nan 0.000 0.218 478 P C 1.278 178.642 177.300 0.106 0.000 1.148 478 P CA 0.973 64.134 63.100 0.102 0.000 0.822 478 P CB 0.070 31.810 31.700 0.066 0.000 0.784 479 E N -0.832 119.405 120.200 0.061 0.000 2.047 479 E HA -0.112 4.241 4.350 0.005 0.000 0.191 479 E C 2.048 178.651 176.600 0.005 0.000 0.987 479 E CA 0.947 57.371 56.400 0.039 0.000 0.799 479 E CB -1.210 28.507 29.700 0.028 0.000 0.752 479 E HN -0.031 nan 8.360 nan 0.000 0.449 480 V N 0.497 120.386 119.914 -0.041 0.000 2.295 480 V HA -0.284 3.839 4.120 0.005 0.000 0.246 480 V C 2.006 177.949 176.094 -0.253 0.000 1.049 480 V CA 1.962 64.131 62.300 -0.219 0.000 1.024 480 V CB -0.566 31.019 31.823 -0.397 0.000 0.648 480 V HN 0.331 nan 8.190 nan 0.000 0.447 481 Y N 0.936 121.109 120.300 -0.211 0.000 2.114 481 Y HA -0.302 4.251 4.550 0.005 0.000 0.282 481 Y C 2.691 178.533 175.900 -0.097 0.000 1.165 481 Y CA 2.053 60.059 58.100 -0.156 0.000 1.148 481 Y CB -0.284 38.163 38.460 -0.022 0.000 0.972 481 Y HN 0.229 nan 8.280 nan 0.000 0.504 482 Q N -0.398 119.350 119.800 -0.087 0.000 2.119 482 Q HA -0.089 4.254 4.340 0.005 0.000 0.201 482 Q C 2.560 178.573 176.000 0.021 0.000 0.972 482 Q CA 1.326 57.086 55.803 -0.072 0.000 0.847 482 Q CB -1.002 27.800 28.738 0.106 0.000 0.903 482 Q HN 0.651 nan 8.270 nan 0.000 0.433 483 G N 0.644 109.438 108.800 -0.009 0.000 2.408 483 G HA2 -0.173 3.790 3.960 0.005 0.000 0.217 483 G HA3 -0.173 3.790 3.960 0.005 0.000 0.217 483 G C 1.575 176.469 174.900 -0.009 0.000 1.150 483 G CA 0.374 45.488 45.100 0.023 0.000 0.776 483 G HN 0.254 nan 8.290 nan 0.000 0.542 484 L N 0.068 121.208 121.223 -0.139 0.000 2.017 484 L HA -0.080 4.263 4.340 0.005 0.000 0.208 484 L C 3.098 179.910 176.870 -0.096 0.000 1.073 484 L CA 0.860 55.628 54.840 -0.120 0.000 0.745 484 L CB -0.391 41.513 42.059 -0.258 0.000 0.894 484 L HN 0.145 nan 8.230 nan 0.000 0.432 485 M N -0.941 118.485 119.600 -0.290 0.000 2.132 485 M HA -0.181 4.302 4.480 0.005 0.000 0.263 485 M C 2.213 178.400 176.300 -0.188 0.000 1.065 485 M CA 1.842 56.950 55.300 -0.319 0.000 1.122 485 M CB -1.329 30.933 32.600 -0.563 0.000 1.365 485 M HN 0.293 nan 8.290 nan 0.000 0.411 486 H N -0.587 118.443 119.070 -0.065 0.000 2.428 486 H HA 0.036 4.595 4.556 0.005 0.000 0.296 486 H C 2.207 177.538 175.328 0.005 0.000 1.062 486 H CA 1.315 57.348 56.048 -0.024 0.000 1.350 486 H CB -0.339 29.402 29.762 -0.036 0.000 1.403 486 H HN 0.483 nan 8.280 nan 0.000 0.533 487 G N -0.577 108.298 108.800 0.124 0.000 2.421 487 G HA2 -0.291 3.672 3.960 0.005 0.000 0.217 487 G HA3 -0.291 3.672 3.960 0.005 0.000 0.217 487 G C 1.448 176.382 174.900 0.056 0.000 1.143 487 G CA 0.427 45.576 45.100 0.082 0.000 0.784 487 G HN 0.428 nan 8.290 nan 0.000 0.541 488 Y N 1.943 122.260 120.300 0.028 0.000 2.097 488 Y HA -0.186 4.366 4.550 0.005 0.000 0.282 488 Y C 2.471 178.406 175.900 0.058 0.000 1.152 488 Y CA 2.176 60.345 58.100 0.116 0.000 1.136 488 Y CB 0.005 38.529 38.460 0.107 0.000 0.975 488 Y HN 0.184 nan 8.280 nan 0.000 0.498 489 D N 0.120 120.631 120.400 0.185 0.000 2.123 489 D HA -0.177 4.466 4.640 0.005 0.000 0.196 489 D C 2.023 178.270 176.300 -0.088 0.000 0.992 489 D CA 1.522 55.558 54.000 0.059 0.000 0.833 489 D CB -0.306 40.530 40.800 0.060 0.000 0.954 489 D HN 0.379 nan 8.370 nan 0.000 0.455 490 K N -0.242 120.102 120.400 -0.093 0.000 2.074 490 K HA -0.169 4.154 4.320 0.005 0.000 0.209 490 K C 1.943 178.380 176.600 -0.272 0.000 1.048 490 K CA 0.787 56.991 56.287 -0.139 0.000 0.926 490 K CB -0.116 32.329 32.500 -0.092 0.000 0.713 490 K HN 0.059 nan 8.250 nan 0.000 0.444 491 L N -0.740 120.209 121.223 -0.457 0.000 2.130 491 L HA 0.052 4.395 4.340 0.005 0.000 0.200 491 L C 1.532 177.921 176.870 -0.801 0.000 1.075 491 L CA 1.619 55.987 54.840 -0.786 0.000 0.768 491 L CB -0.163 41.136 42.059 -1.267 0.000 0.933 491 L HN 0.010 nan 8.230 nan 0.000 0.451 492 F N -0.583 119.095 119.950 -0.454 0.000 2.746 492 F HA 0.245 4.775 4.527 0.005 0.000 0.297 492 F C 1.935 177.668 175.800 -0.111 0.000 1.113 492 F CA 0.246 58.033 58.000 -0.355 0.000 1.367 492 F CB -0.143 38.469 39.000 -0.646 0.000 1.111 492 F HN -0.008 nan 8.300 nan 0.000 0.590 493 R N -0.727 119.756 120.500 -0.028 0.000 2.476 493 R HA 0.229 4.571 4.340 0.005 0.000 0.276 493 R C 0.717 176.968 176.300 -0.083 0.000 0.941 493 R CA 0.233 56.332 56.100 -0.002 0.000 1.088 493 R CB 0.497 30.786 30.300 -0.020 0.000 1.216 493 R HN 0.277 nan 8.270 nan 0.000 0.533 494 E N 0.373 120.482 120.200 -0.151 0.000 2.949 494 E HA 0.052 4.405 4.350 0.005 0.000 0.182 494 E C 1.248 177.707 176.600 -0.235 0.000 1.154 494 E CA -0.249 56.050 56.400 -0.168 0.000 1.205 494 E CB -0.037 29.581 29.700 -0.137 0.000 1.865 494 E HN -0.073 nan 8.360 nan 0.000 0.516 495 L N 1.889 122.950 121.223 -0.270 0.000 1.971 495 L HA -0.167 4.176 4.340 0.005 0.000 0.215 495 L C 2.089 178.727 176.870 -0.388 0.000 1.072 495 L CA 1.782 56.441 54.840 -0.301 0.000 0.758 495 L CB -0.446 41.427 42.059 -0.311 0.000 0.889 495 L HN 0.179 nan 8.230 nan 0.000 0.433 496 L N -0.166 120.761 121.223 -0.492 0.000 2.056 496 L HA -0.083 4.260 4.340 0.005 0.000 0.207 496 L C -0.212 176.150 176.870 -0.846 0.000 1.078 496 L CA 1.152 55.589 54.840 -0.672 0.000 0.749 496 L CB -2.155 39.483 42.059 -0.702 0.000 0.901 496 L HN 0.295 nan 8.230 nan 0.000 0.433 497 P HA -0.163 nan 4.420 nan 0.000 0.218 497 P C 1.748 178.757 177.300 -0.485 0.000 1.149 497 P CA 1.854 64.379 63.100 -0.958 0.000 0.817 497 P CB 0.011 31.386 31.700 -0.541 0.000 0.785 498 S N -1.286 114.195 115.700 -0.364 0.000 2.414 498 S HA -0.070 4.403 4.470 0.005 0.000 0.227 498 S C 1.906 176.368 174.600 -0.230 0.000 1.022 498 S CA 1.485 59.533 58.200 -0.254 0.000 0.958 498 S CB -1.663 61.417 63.200 -0.200 0.000 0.797 498 S HN 0.072 nan 8.310 nan 0.000 0.493 499 T N 2.111 116.519 114.554 -0.244 0.000 2.777 499 T HA 0.010 4.363 4.350 0.005 0.000 0.266 499 T C 1.842 176.487 174.700 -0.092 0.000 1.040 499 T CA 1.420 63.452 62.100 -0.113 0.000 1.141 499 T CB -0.492 68.269 68.868 -0.178 0.000 0.868 499 T HN 0.287 nan 8.240 nan 0.000 0.444 500 V N 1.149 120.907 119.914 -0.260 0.000 2.358 500 V HA -0.154 3.969 4.120 0.005 0.000 0.246 500 V C 2.678 178.671 176.094 -0.168 0.000 1.047 500 V CA 1.586 63.729 62.300 -0.261 0.000 1.035 500 V CB -0.573 31.061 31.823 -0.313 0.000 0.658 500 V HN 0.355 nan 8.190 nan 0.000 0.452 501 K N -0.422 119.864 120.400 -0.189 0.000 2.103 501 K HA -0.232 4.091 4.320 0.005 0.000 0.207 501 K C 2.184 178.672 176.600 -0.186 0.000 1.048 501 K CA 2.065 58.260 56.287 -0.154 0.000 0.930 501 K CB -0.328 32.079 32.500 -0.155 0.000 0.716 501 K HN 0.774 nan 8.250 nan 0.000 0.444 502 E N -1.997 118.044 120.200 -0.264 0.000 2.072 502 E HA -0.070 4.283 4.350 0.005 0.000 0.190 502 E C 1.479 177.722 176.600 -0.594 0.000 0.982 502 E CA 1.555 57.662 56.400 -0.488 0.000 0.803 502 E CB -0.033 29.242 29.700 -0.709 0.000 0.755 502 E HN 0.569 nan 8.360 nan 0.000 0.453 503 F N -0.535 119.303 119.950 -0.188 0.000 2.717 503 F HA 0.225 4.755 4.527 0.005 0.000 0.297 503 F C 0.563 176.204 175.800 -0.264 0.000 1.113 503 F CA -0.031 57.825 58.000 -0.239 0.000 1.319 503 F CB 0.969 39.803 39.000 -0.276 0.000 1.097 503 F HN -0.136 nan 8.300 nan 0.000 0.595 504 D N -0.835 119.545 120.400 -0.034 0.000 3.060 504 D HA 0.116 4.759 4.640 0.005 0.000 0.326 504 D C 0.860 177.192 176.300 0.054 0.000 1.253 504 D CA 0.228 54.241 54.000 0.022 0.000 0.737 504 D CB 0.278 41.128 40.800 0.083 0.000 1.260 504 D HN 0.020 nan 8.370 nan 0.000 0.542 505 S N -1.009 114.712 115.700 0.035 0.000 2.515 505 S HA -0.024 4.449 4.470 0.005 0.000 0.231 505 S C 1.027 175.650 174.600 0.037 0.000 0.987 505 S CA 0.391 58.596 58.200 0.008 0.000 0.936 505 S CB 0.444 63.629 63.200 -0.025 0.000 0.766 505 S HN 0.209 nan 8.310 nan 0.000 0.528 506 D N 0.789 121.231 120.400 0.070 0.000 2.395 506 D HA 0.223 4.866 4.640 0.005 0.000 0.213 506 D C 0.056 176.410 176.300 0.091 0.000 1.110 506 D CA 0.009 54.047 54.000 0.064 0.000 0.835 506 D CB 0.433 41.262 40.800 0.048 0.000 0.965 506 D HN 0.286 nan 8.370 nan 0.000 0.505 507 R N 0.283 120.866 120.500 0.138 0.000 2.346 507 R HA 0.251 4.594 4.340 0.005 0.000 0.311 507 R C -0.406 176.037 176.300 0.238 0.000 0.983 507 R CA -0.678 55.543 56.100 0.201 0.000 0.880 507 R CB 1.144 31.628 30.300 0.307 0.000 1.100 507 R HN -0.168 nan 8.270 nan 0.000 0.453 508 F N 3.696 123.665 119.950 0.030 0.000 2.602 508 F HA 0.051 4.581 4.527 0.006 0.000 0.367 508 F C -0.701 175.180 175.800 0.135 0.000 1.126 508 F CA 0.472 58.463 58.000 -0.016 0.000 1.321 508 F CB 0.293 39.162 39.000 -0.219 0.000 1.094 508 F HN 0.447 nan 8.300 nan 0.000 0.594 509 Y N 5.894 125.802 120.300 -0.654 0.000 2.462 509 Y HA 0.623 5.176 4.550 0.005 0.000 0.346 509 Y C -1.833 173.522 175.900 -0.909 0.000 0.976 509 Y CA -1.102 56.709 58.100 -0.481 0.000 1.044 509 Y CB 1.561 39.924 38.460 -0.161 0.000 1.230 509 Y HN 0.527 nan 8.280 nan 0.000 0.455 510 V N 6.332 125.453 119.914 -1.323 0.000 2.789 510 V HA 0.257 4.380 4.120 0.005 0.000 0.311 510 V C 0.159 175.610 176.094 -1.071 0.000 1.073 510 V CA -0.392 61.322 62.300 -0.976 0.000 0.921 510 V CB 1.533 33.129 31.823 -0.379 0.000 1.009 510 V HN 1.063 nan 8.190 nan 0.000 0.426 511 H N 3.212 121.969 119.070 -0.522 0.000 2.457 511 H HA 0.304 4.863 4.556 0.005 0.000 0.294 511 H C 0.709 175.994 175.328 -0.071 0.000 1.064 511 H CA 1.168 57.116 56.048 -0.166 0.000 1.330 511 H CB 0.167 30.015 29.762 0.144 0.000 1.395 511 H HN 0.523 nan 8.280 nan 0.000 0.541 512 S N -1.010 114.444 115.700 -0.409 0.000 2.543 512 S HA 0.423 4.896 4.470 0.005 0.000 0.274 512 S C -1.579 172.995 174.600 -0.043 0.000 1.149 512 S CA -0.583 57.518 58.200 -0.166 0.000 0.866 512 S CB 1.595 64.749 63.200 -0.076 0.000 1.111 512 S HN 0.396 nan 8.310 nan 0.000 0.457 513 S N 3.858 119.626 115.700 0.113 0.000 2.498 513 S HA 0.727 5.200 4.470 0.005 0.000 0.317 513 S C -2.814 171.699 174.600 -0.146 0.000 1.090 513 S CA -1.616 56.682 58.200 0.164 0.000 1.089 513 S CB 1.171 64.686 63.200 0.526 0.000 0.997 513 S HN 0.534 nan 8.310 nan 0.000 0.470 514 P HA 0.196 nan 4.420 nan 0.000 0.284 514 P C -0.002 177.217 177.300 -0.134 0.000 1.253 514 P CA -0.476 62.463 63.100 -0.268 0.000 0.800 514 P CB 0.545 32.057 31.700 -0.313 0.000 0.961 515 Y N 2.973 123.186 120.300 -0.146 0.000 2.337 515 Y HA 0.060 4.612 4.550 0.004 0.000 0.293 515 Y C 1.296 177.186 175.900 -0.016 0.000 1.123 515 Y CA 1.130 59.127 58.100 -0.172 0.000 1.201 515 Y CB -0.471 37.847 38.460 -0.237 0.000 1.011 515 Y HN 0.159 nan 8.280 nan 0.000 0.545 516 L N 0.021 121.140 121.223 -0.173 0.000 2.815 516 L HA 0.587 4.930 4.340 0.005 0.000 0.241 516 L C 0.644 177.521 176.870 0.012 0.000 1.047 516 L CA 0.756 55.607 54.840 0.019 0.000 0.939 516 L CB -0.675 41.435 42.059 0.085 0.000 1.490 516 L HN 0.198 nan 8.230 nan 0.000 0.510 517 A N 2.222 124.994 122.820 -0.080 0.000 2.477 517 A HA 0.291 4.614 4.320 0.005 0.000 0.246 517 A C 0.053 177.715 177.584 0.130 0.000 1.078 517 A CA 0.019 52.094 52.037 0.064 0.000 0.770 517 A CB -0.220 18.826 19.000 0.076 0.000 1.011 517 A HN 0.554 nan 8.150 nan 0.000 0.494 518 N N 2.613 121.423 118.700 0.183 0.000 2.258 518 N HA 0.157 4.900 4.740 0.005 0.000 0.299 518 N C 0.980 176.692 175.510 0.337 0.000 1.047 518 N CA -0.681 52.446 53.050 0.128 0.000 0.814 518 N CB 0.959 39.296 38.487 -0.249 0.000 1.413 518 N HN 0.883 nan 8.380 nan 0.000 0.478 519 W N 3.275 124.742 121.300 0.278 0.000 2.364 519 W HA 0.035 4.698 4.660 0.004 0.000 0.281 519 W C 0.486 177.287 176.519 0.470 0.000 1.219 519 W CA 1.123 58.684 57.345 0.359 0.000 1.220 519 W CB -0.496 29.120 29.460 0.261 0.000 1.127 519 W HN 0.560 nan 8.180 nan 0.000 0.556 520 G N 1.014 109.721 108.800 -0.155 0.000 3.233 520 G HA2 0.156 4.119 3.960 0.005 0.000 0.234 520 G HA3 0.156 4.119 3.960 0.005 0.000 0.234 520 G C 0.526 175.348 174.900 -0.129 0.000 1.137 520 G CA -0.661 44.318 45.100 -0.202 0.000 0.763 520 G HN 0.100 nan 8.290 nan 0.000 0.549 521 R N 0.496 120.929 120.500 -0.113 0.000 2.477 521 R HA 0.254 4.597 4.340 0.005 0.000 0.285 521 R C -1.975 173.989 176.300 -0.560 0.000 1.415 521 R CA -1.573 54.367 56.100 -0.267 0.000 1.446 521 R CB 1.798 31.942 30.300 -0.260 0.000 1.110 521 R HN -0.028 nan 8.270 nan 0.000 0.590 522 P HA -0.275 nan 4.420 nan 0.000 0.217 522 P C 1.068 177.732 177.300 -1.061 0.000 1.148 522 P CA 1.208 63.160 63.100 -1.914 0.000 0.828 522 P CB 0.292 31.326 31.700 -1.110 0.000 0.783 523 E N 0.087 119.964 120.200 -0.539 0.000 2.333 523 E HA -0.129 4.224 4.350 0.005 0.000 0.198 523 E C 1.381 177.881 176.600 -0.166 0.000 1.007 523 E CA 1.700 57.941 56.400 -0.264 0.000 0.845 523 E CB -0.884 28.716 29.700 -0.166 0.000 0.766 523 E HN 0.361 nan 8.360 nan 0.000 0.507 524 S N -0.941 114.634 115.700 -0.207 0.000 2.556 524 S HA 0.046 4.519 4.470 0.005 0.000 0.216 524 S C 1.162 175.849 174.600 0.144 0.000 0.970 524 S CA -0.585 57.605 58.200 -0.017 0.000 0.912 524 S CB -0.552 62.658 63.200 0.017 0.000 0.790 524 S HN 0.241 nan 8.310 nan 0.000 0.504 525 W N 2.349 123.688 121.300 0.065 0.000 2.611 525 W HA 0.356 5.019 4.660 0.004 0.000 0.251 525 W C 1.863 178.448 176.519 0.110 0.000 1.265 525 W CA 0.116 57.516 57.345 0.091 0.000 1.295 525 W CB -1.227 28.312 29.460 0.132 0.000 1.129 525 W HN 0.539 nan 8.180 nan 0.000 0.630 526 G N -0.462 108.514 108.800 0.293 0.000 3.284 526 G HA2 0.080 4.043 3.960 0.005 0.000 0.236 526 G HA3 0.080 4.043 3.960 0.005 0.000 0.236 526 G C -0.056 174.903 174.900 0.099 0.000 1.158 526 G CA 0.047 45.261 45.100 0.191 0.000 0.774 526 G HN -0.002 nan 8.290 nan 0.000 0.545 527 T N 1.118 115.723 114.554 0.085 0.000 2.963 527 T HA 0.570 4.923 4.350 0.005 0.000 0.343 527 T C 0.932 175.546 174.700 -0.144 0.000 1.146 527 T CA 0.233 62.359 62.100 0.043 0.000 1.016 527 T CB 1.121 70.029 68.868 0.066 0.000 1.046 527 T HN 0.796 nan 8.240 nan 0.000 0.496 528 G N 4.089 112.861 108.800 -0.047 0.000 2.547 528 G HA2 -0.214 3.749 3.960 0.005 0.000 0.271 528 G HA3 -0.214 3.749 3.960 0.005 0.000 0.271 528 G C -0.570 174.150 174.900 -0.300 0.000 1.209 528 G CA 0.057 45.037 45.100 -0.201 0.000 0.959 528 G HN 0.852 nan 8.290 nan 0.000 0.563 529 D N 0.246 120.278 120.400 -0.614 0.000 2.193 529 D HA 0.616 5.259 4.640 0.005 0.000 0.249 529 D C -0.352 175.865 176.300 -0.138 0.000 1.034 529 D CA 0.023 53.808 54.000 -0.359 0.000 0.902 529 D CB 1.659 42.100 40.800 -0.599 0.000 1.182 529 D HN 0.436 nan 8.370 nan 0.000 0.436 530 S N -0.020 115.697 115.700 0.029 0.000 2.503 530 S HA 0.261 4.734 4.470 0.005 0.000 0.301 530 S C -0.638 174.111 174.600 0.248 0.000 1.087 530 S CA -0.702 57.545 58.200 0.078 0.000 1.042 530 S CB 1.027 64.218 63.200 -0.015 0.000 1.043 530 S HN 0.391 nan 8.310 nan 0.000 0.489 531 H N 2.525 121.662 119.070 0.112 0.000 2.818 531 H HA 0.202 4.761 4.556 0.005 0.000 0.269 531 H C -0.282 175.072 175.328 0.043 0.000 1.277 531 H CA -0.551 55.576 56.048 0.132 0.000 1.290 531 H CB 0.326 30.315 29.762 0.378 0.000 1.479 531 H HN 0.323 nan 8.280 nan 0.000 0.507 532 N N 3.426 122.075 118.700 -0.085 0.000 2.663 532 N HA -0.033 4.710 4.740 0.005 0.000 0.250 532 N C -0.421 174.877 175.510 -0.354 0.000 1.129 532 N CA -0.340 52.628 53.050 -0.137 0.000 0.995 532 N CB 0.007 38.371 38.487 -0.206 0.000 1.324 532 N HN 0.560 nan 8.380 nan 0.000 0.512 533 W N 1.602 122.796 121.300 -0.176 0.000 3.391 533 W HA 0.348 5.011 4.660 0.005 0.000 0.372 533 W C 1.793 177.680 176.519 -1.053 0.000 1.171 533 W CA -0.687 56.409 57.345 -0.415 0.000 1.862 533 W CB 0.400 29.757 29.460 -0.171 0.000 1.048 533 W HN 0.564 nan 8.180 nan 0.000 0.726 534 G N 0.123 108.511 108.800 -0.687 0.000 2.394 534 G HA2 -0.129 3.834 3.960 0.005 0.000 0.215 534 G HA3 -0.129 3.834 3.960 0.005 0.000 0.215 534 G C 0.577 175.392 174.900 -0.140 0.000 1.165 534 G CA 0.297 45.085 45.100 -0.521 0.000 0.784 534 G HN -0.043 nan 8.290 nan 0.000 0.535 535 V N 1.108 121.023 119.914 0.002 0.000 2.637 535 V HA 0.210 4.333 4.120 0.005 0.000 0.296 535 V C 0.861 177.167 176.094 0.353 0.000 1.046 535 V CA -0.030 62.369 62.300 0.165 0.000 1.066 535 V CB 0.320 32.252 31.823 0.181 0.000 0.968 535 V HN 0.598 nan 8.190 nan 0.000 0.483 536 W N 3.606 124.993 121.300 0.145 0.000 1.767 536 W HA -0.403 4.259 4.660 0.005 0.000 0.273 536 W C 1.449 177.953 176.519 -0.025 0.000 1.874 536 W CA 1.764 59.140 57.345 0.052 0.000 2.171 536 W CB -1.438 28.129 29.460 0.178 0.000 0.970 536 W HN 0.586 nan 8.180 nan 0.000 0.439 537 Y N 1.203 121.642 120.300 0.231 0.000 2.241 537 Y HA -0.065 4.487 4.550 0.005 0.000 0.286 537 Y C 2.595 178.469 175.900 -0.043 0.000 1.166 537 Y CA 2.664 60.774 58.100 0.016 0.000 1.203 537 Y CB -1.333 37.180 38.460 0.088 0.000 0.977 537 Y HN 0.293 nan 8.280 nan 0.000 0.529 538 G N -1.513 107.241 108.800 -0.077 0.000 3.088 538 G HA2 0.065 4.028 3.960 0.005 0.000 0.217 538 G HA3 0.065 4.028 3.960 0.005 0.000 0.217 538 G C 0.768 175.733 174.900 0.107 0.000 1.159 538 G CA 0.135 45.261 45.100 0.043 0.000 0.760 538 G HN 0.300 nan 8.290 nan 0.000 0.550 539 K N -1.058 119.387 120.400 0.074 0.000 3.472 539 K HA -0.175 4.148 4.320 0.005 0.000 0.315 539 K C 0.316 176.898 176.600 -0.029 0.000 1.320 539 K CA 0.848 57.160 56.287 0.041 0.000 0.962 539 K CB -0.906 31.568 32.500 -0.044 0.000 1.251 539 K HN 0.382 nan 8.250 nan 0.000 0.443 540 K N 1.215 121.653 120.400 0.065 0.000 2.382 540 K HA 0.112 4.435 4.320 0.005 0.000 0.275 540 K C -2.414 174.168 176.600 -0.030 0.000 1.009 540 K CA -1.424 54.879 56.287 0.026 0.000 0.970 540 K CB 0.302 32.855 32.500 0.088 0.000 0.934 540 K HN -0.139 nan 8.250 nan 0.000 0.479 541 P HA -0.016 nan 4.420 nan 0.000 0.272 541 P C 0.080 177.356 177.300 -0.039 0.000 1.223 541 P CA -0.073 62.939 63.100 -0.146 0.000 0.784 541 P CB 0.288 31.936 31.700 -0.086 0.000 0.923 542 F N 0.239 120.245 119.950 0.093 0.000 2.307 542 F HA -0.164 4.366 4.527 0.005 0.000 0.301 542 F C 1.936 177.774 175.800 0.064 0.000 1.076 542 F CA 1.511 59.542 58.000 0.052 0.000 1.383 542 F CB -1.027 37.936 39.000 -0.062 0.000 1.055 542 F HN 0.350 nan 8.300 nan 0.000 0.526 543 E N -0.210 120.082 120.200 0.153 0.000 2.338 543 E HA -0.132 4.221 4.350 0.005 0.000 0.197 543 E C 2.293 178.986 176.600 0.156 0.000 1.007 543 E CA 1.063 57.549 56.400 0.143 0.000 0.849 543 E CB -0.514 29.220 29.700 0.056 0.000 0.774 543 E HN 0.364 nan 8.360 nan 0.000 0.506 544 S N 0.183 115.956 115.700 0.122 0.000 2.447 544 S HA -0.104 4.369 4.470 0.005 0.000 0.233 544 S C 1.828 176.473 174.600 0.075 0.000 1.006 544 S CA 0.565 58.824 58.200 0.099 0.000 0.957 544 S CB -0.371 62.884 63.200 0.091 0.000 0.773 544 S HN 0.246 nan 8.310 nan 0.000 0.507 545 L N 1.223 122.503 121.223 0.094 0.000 2.275 545 L HA -0.041 4.302 4.340 0.005 0.000 0.215 545 L C 2.045 178.895 176.870 -0.033 0.000 1.119 545 L CA 1.015 55.863 54.840 0.013 0.000 0.790 545 L CB -0.584 41.471 42.059 -0.006 0.000 0.919 545 L HN 0.247 nan 8.230 nan 0.000 0.443 546 D N -0.514 119.896 120.400 0.016 0.000 2.224 546 D HA -0.116 4.527 4.640 0.005 0.000 0.205 546 D C 2.173 178.473 176.300 0.001 0.000 0.965 546 D CA 1.952 55.940 54.000 -0.020 0.000 0.852 546 D CB 0.159 40.989 40.800 0.050 0.000 0.947 546 D HN 0.439 nan 8.370 nan 0.000 0.494 547 T N -2.437 112.141 114.554 0.039 0.000 3.018 547 T HA 0.018 4.371 4.350 0.005 0.000 0.246 547 T C 0.395 175.154 174.700 0.098 0.000 1.026 547 T CA -0.284 61.855 62.100 0.065 0.000 1.081 547 T CB 0.233 69.159 68.868 0.096 0.000 0.970 547 T HN -0.244 nan 8.240 nan 0.000 0.475 548 D N 2.668 123.092 120.400 0.041 0.000 2.494 548 D HA 0.432 5.075 4.640 0.005 0.000 0.217 548 D C -0.582 175.599 176.300 -0.199 0.000 1.153 548 D CA -0.118 53.812 54.000 -0.117 0.000 0.954 548 D CB 0.444 41.018 40.800 -0.377 0.000 1.034 548 D HN 0.461 nan 8.370 nan 0.000 0.518 549 L N 3.129 124.353 121.223 0.002 0.000 2.309 549 L HA 0.505 4.847 4.340 0.005 0.000 0.282 549 L C -2.095 174.901 176.870 0.210 0.000 1.036 549 L CA -1.725 53.161 54.840 0.078 0.000 0.806 549 L CB 1.590 43.702 42.059 0.088 0.000 1.220 549 L HN 0.054 nan 8.230 nan 0.000 0.429 550 P HA 0.399 nan 4.420 nan 0.000 0.285 550 P C -0.369 177.012 177.300 0.135 0.000 1.285 550 P CA -0.780 62.379 63.100 0.098 0.000 0.854 550 P CB 1.543 33.178 31.700 -0.109 0.000 1.180 551 R N -0.192 120.336 120.500 0.047 0.000 2.193 551 R HA 0.239 4.582 4.340 0.005 0.000 0.213 551 R C 0.055 176.459 176.300 0.173 0.000 1.055 551 R CA 0.580 56.671 56.100 -0.016 0.000 0.995 551 R CB -0.786 29.513 30.300 -0.002 0.000 0.893 551 R HN 0.577 nan 8.270 nan 0.000 0.459 552 F N -0.064 119.876 119.950 -0.016 0.000 2.767 552 F HA 0.233 4.762 4.527 0.004 0.000 0.341 552 F C -1.212 174.531 175.800 -0.094 0.000 1.192 552 F CA -1.125 56.874 58.000 -0.001 0.000 1.127 552 F CB 1.033 40.153 39.000 0.200 0.000 1.388 552 F HN -0.246 nan 8.300 nan 0.000 0.574 553 M N 5.127 124.533 119.600 -0.323 0.000 2.193 553 M HA 0.224 4.707 4.480 0.005 0.000 0.342 553 M C 0.662 177.005 176.300 0.072 0.000 1.413 553 M CA 0.420 55.587 55.300 -0.223 0.000 1.191 553 M CB 0.665 32.889 32.600 -0.627 0.000 1.633 553 M HN 0.536 nan 8.290 nan 0.000 0.458 554 S N 2.544 118.420 115.700 0.292 0.000 2.503 554 S HA 0.268 4.741 4.470 0.005 0.000 0.217 554 S C 0.029 174.634 174.600 0.008 0.000 0.999 554 S CA -0.064 58.274 58.200 0.231 0.000 0.914 554 S CB -0.081 63.227 63.200 0.179 0.000 0.782 554 S HN 0.748 nan 8.310 nan 0.000 0.520 555 E N -0.046 120.153 120.200 -0.001 0.000 2.354 555 E HA 0.574 4.927 4.350 0.005 0.000 0.283 555 E C -1.592 174.953 176.600 -0.092 0.000 0.938 555 E CA -0.781 55.578 56.400 -0.069 0.000 0.777 555 E CB 2.303 31.818 29.700 -0.308 0.000 1.222 555 E HN 0.444 nan 8.360 nan 0.000 0.423 556 F N -0.459 119.253 119.950 -0.396 0.000 2.693 556 F HA 0.870 5.400 4.527 0.005 0.000 0.309 556 F C -0.655 174.868 175.800 -0.461 0.000 1.129 556 F CA -0.605 56.969 58.000 -0.709 0.000 0.948 556 F CB 1.781 40.580 39.000 -0.335 0.000 1.315 556 F HN 0.570 nan 8.300 nan 0.000 0.447 557 G N 0.909 109.247 108.800 -0.771 0.000 2.523 557 G HA2 0.567 4.530 3.960 0.005 0.000 0.291 557 G HA3 0.567 4.530 3.960 0.005 0.000 0.291 557 G C -2.804 172.280 174.900 0.306 0.000 1.450 557 G CA -0.837 44.151 45.100 -0.187 0.000 0.790 557 G HN 1.091 nan 8.290 nan 0.000 0.496 558 F N -0.257 119.796 119.950 0.172 0.000 2.665 558 F HA 0.636 5.166 4.527 0.005 0.000 0.308 558 F C -0.420 175.141 175.800 -0.398 0.000 1.112 558 F CA -0.668 57.309 58.000 -0.039 0.000 0.972 558 F CB 2.221 41.264 39.000 0.071 0.000 1.295 558 F HN 0.610 nan 8.300 nan 0.000 0.440 559 Q N 2.367 121.273 119.800 -1.491 0.000 2.227 559 Q HA 0.702 5.045 4.340 0.005 0.000 0.245 559 Q C -1.227 174.396 176.000 -0.629 0.000 0.926 559 Q CA -0.516 54.469 55.803 -1.364 0.000 0.895 559 Q CB 1.661 29.128 28.738 -2.118 0.000 1.230 559 Q HN 0.728 nan 8.270 nan 0.000 0.450 560 S N 1.100 116.538 115.700 -0.436 0.000 2.541 560 S HA 0.490 4.963 4.470 0.005 0.000 0.271 560 S C -0.781 173.735 174.600 -0.141 0.000 1.133 560 S CA -0.853 57.228 58.200 -0.199 0.000 0.876 560 S CB 0.530 63.614 63.200 -0.192 0.000 1.105 560 S HN 0.473 nan 8.310 nan 0.000 0.470 561 F N 2.916 122.774 119.950 -0.152 0.000 2.595 561 F HA 0.285 4.815 4.527 0.005 0.000 0.359 561 F C -1.409 174.330 175.800 -0.102 0.000 1.147 561 F CA -0.745 57.210 58.000 -0.075 0.000 1.341 561 F CB 0.546 39.542 39.000 -0.006 0.000 1.104 561 F HN 0.420 nan 8.300 nan 0.000 0.603 562 P HA 0.064 nan 4.420 nan 0.000 0.274 562 P C -0.972 176.380 177.300 0.086 0.000 1.246 562 P CA -0.569 62.569 63.100 0.063 0.000 0.795 562 P CB 0.549 32.304 31.700 0.091 0.000 1.006 563 E N 0.938 121.190 120.200 0.087 0.000 2.428 563 E HA -0.010 4.343 4.350 0.005 0.000 0.257 563 E C 1.038 177.687 176.600 0.082 0.000 1.197 563 E CA -0.499 55.976 56.400 0.124 0.000 0.974 563 E CB 0.081 29.947 29.700 0.276 0.000 0.976 563 E HN 0.179 nan 8.360 nan 0.000 0.463 564 M N 1.167 120.796 119.600 0.049 0.000 2.149 564 M HA -0.164 4.318 4.480 0.005 0.000 0.261 564 M C 2.018 178.276 176.300 -0.069 0.000 1.064 564 M CA 2.059 57.315 55.300 -0.074 0.000 1.102 564 M CB -1.237 31.299 32.600 -0.107 0.000 1.369 564 M HN 0.672 nan 8.290 nan 0.000 0.408 565 K N -1.220 119.183 120.400 0.005 0.000 2.283 565 K HA -0.052 4.271 4.320 0.005 0.000 0.202 565 K C 1.564 178.159 176.600 -0.008 0.000 1.048 565 K CA 1.506 57.789 56.287 -0.007 0.000 0.948 565 K CB -0.516 31.987 32.500 0.005 0.000 0.742 565 K HN 0.159 nan 8.250 nan 0.000 0.458 566 T N 1.753 116.342 114.554 0.057 0.000 2.939 566 T HA 0.125 4.478 4.350 0.005 0.000 0.254 566 T C 1.898 176.611 174.700 0.022 0.000 1.041 566 T CA 0.685 62.892 62.100 0.178 0.000 1.142 566 T CB -0.130 68.916 68.868 0.297 0.000 0.874 566 T HN 0.137 nan 8.240 nan 0.000 0.452 567 I N 1.989 122.450 120.570 -0.182 0.000 2.113 567 I HA -0.261 3.912 4.170 0.005 0.000 0.242 567 I C 2.878 178.661 176.117 -0.557 0.000 1.064 567 I CA 1.510 62.409 61.300 -0.669 0.000 1.320 567 I CB -0.615 37.151 38.000 -0.391 0.000 1.028 567 I HN 0.185 nan 8.210 nan 0.000 0.406 568 A N 0.553 123.255 122.820 -0.197 0.000 2.178 568 A HA -0.015 4.307 4.320 0.005 0.000 0.218 568 A C 2.425 180.038 177.584 0.049 0.000 1.157 568 A CA 1.552 53.607 52.037 0.029 0.000 0.689 568 A CB -0.602 18.457 19.000 0.100 0.000 0.787 568 A HN 0.499 nan 8.150 nan 0.000 0.465 569 A N -0.621 122.214 122.820 0.024 0.000 2.016 569 A HA 0.210 4.533 4.320 0.005 0.000 0.217 569 A C 1.732 179.529 177.584 0.356 0.000 1.162 569 A CA 1.370 53.534 52.037 0.212 0.000 0.662 569 A CB -0.468 18.715 19.000 0.304 0.000 0.812 569 A HN 1.026 nan 8.150 nan 0.000 0.450 570 F N -2.208 117.791 119.950 0.081 0.000 2.680 570 F HA 0.710 5.240 4.527 0.005 0.000 0.290 570 F C 0.646 176.120 175.800 -0.543 0.000 1.114 570 F CA -0.437 57.452 58.000 -0.185 0.000 1.333 570 F CB -0.184 38.601 39.000 -0.358 0.000 1.091 570 F HN 0.133 nan 8.300 nan 0.000 0.606 571 A N 1.448 124.002 122.820 -0.443 0.000 2.330 571 A HA 0.843 5.166 4.320 0.005 0.000 0.327 571 A C -0.121 177.427 177.584 -0.061 0.000 1.155 571 A CA -0.343 51.540 52.037 -0.256 0.000 0.803 571 A CB 0.455 19.332 19.000 -0.204 0.000 1.208 571 A HN 0.560 nan 8.150 nan 0.000 0.477 572 A N 3.107 125.882 122.820 -0.075 0.000 2.304 572 A HA 0.658 4.981 4.320 0.005 0.000 0.271 572 A C -1.548 175.754 177.584 -0.469 0.000 1.091 572 A CA -1.494 50.495 52.037 -0.080 0.000 0.812 572 A CB -0.137 18.890 19.000 0.046 0.000 1.056 572 A HN 0.543 nan 8.150 nan 0.000 0.489 573 P HA -0.239 nan 4.420 nan 0.000 0.217 573 P C 1.159 177.990 177.300 -0.781 0.000 1.151 573 P CA 1.809 64.335 63.100 -0.957 0.000 0.849 573 P CB 0.088 31.561 31.700 -0.378 0.000 0.787 574 E N -0.640 119.321 120.200 -0.398 0.000 2.418 574 E HA -0.151 4.201 4.350 0.005 0.000 0.197 574 E C 0.459 176.925 176.600 -0.225 0.000 1.026 574 E CA 1.049 57.303 56.400 -0.244 0.000 0.862 574 E CB -0.762 28.858 29.700 -0.133 0.000 0.799 574 E HN 0.333 nan 8.360 nan 0.000 0.518 575 D N 0.310 120.542 120.400 -0.279 0.000 2.349 575 D HA -0.032 4.611 4.640 0.005 0.000 0.214 575 D C -0.045 176.158 176.300 -0.163 0.000 1.063 575 D CA -0.034 53.866 54.000 -0.167 0.000 0.847 575 D CB -0.179 40.569 40.800 -0.087 0.000 0.933 575 D HN 0.174 nan 8.370 nan 0.000 0.513 576 Y N 2.246 122.351 120.300 -0.325 0.000 3.168 576 Y HA 0.122 4.675 4.550 0.005 0.000 0.373 576 Y C 0.735 176.007 175.900 -1.047 0.000 1.073 576 Y CA -0.127 57.559 58.100 -0.689 0.000 2.070 576 Y CB -1.090 37.164 38.460 -0.344 0.000 2.252 576 Y HN -0.167 nan 8.280 nan 0.000 0.404 577 Q N -0.312 119.072 119.800 -0.694 0.000 2.394 577 Q HA 0.354 4.697 4.340 0.005 0.000 0.273 577 Q C 1.214 176.970 176.000 -0.407 0.000 1.089 577 Q CA -0.746 54.737 55.803 -0.534 0.000 0.812 577 Q CB 2.256 30.862 28.738 -0.221 0.000 1.353 577 Q HN 0.434 nan 8.270 nan 0.000 0.438 578 I N 0.313 120.774 120.570 -0.181 0.000 2.264 578 I HA -0.277 3.896 4.170 0.005 0.000 0.248 578 I C 0.785 176.973 176.117 0.119 0.000 1.111 578 I CA 1.557 62.899 61.300 0.071 0.000 1.382 578 I CB 0.195 38.160 38.000 -0.057 0.000 1.060 578 I HN 0.551 nan 8.210 nan 0.000 0.418 579 E N 0.318 120.531 120.200 0.020 0.000 2.585 579 E HA 0.089 4.442 4.350 0.005 0.000 0.206 579 E C 0.300 176.911 176.600 0.019 0.000 1.007 579 E CA -0.205 56.217 56.400 0.037 0.000 1.028 579 E CB 0.258 29.971 29.700 0.021 0.000 1.087 579 E HN 0.328 nan 8.360 nan 0.000 0.455 580 S N -0.505 115.196 115.700 0.001 0.000 2.566 580 S HA 0.007 4.480 4.470 0.005 0.000 0.280 580 S C 1.287 175.917 174.600 0.050 0.000 1.343 580 S CA -0.389 57.814 58.200 0.006 0.000 1.036 580 S CB 1.181 64.368 63.200 -0.022 0.000 0.866 580 S HN 0.222 nan 8.310 nan 0.000 0.526 581 E N 0.852 121.079 120.200 0.045 0.000 2.065 581 E HA -0.181 4.172 4.350 0.005 0.000 0.201 581 E C 1.981 178.646 176.600 0.108 0.000 1.016 581 E CA 1.881 58.320 56.400 0.065 0.000 0.818 581 E CB -0.424 29.309 29.700 0.055 0.000 0.749 581 E HN 0.618 nan 8.360 nan 0.000 0.453 582 V N 0.893 120.879 119.914 0.121 0.000 2.287 582 V HA -0.305 3.818 4.120 0.005 0.000 0.248 582 V C 2.373 178.658 176.094 0.318 0.000 1.053 582 V CA 1.930 64.350 62.300 0.199 0.000 1.027 582 V CB -0.411 31.488 31.823 0.128 0.000 0.646 582 V HN 0.300 nan 8.190 nan 0.000 0.447 583 M N 0.630 120.384 119.600 0.257 0.000 2.108 583 M HA -0.189 4.294 4.480 0.005 0.000 0.261 583 M C 1.779 178.216 176.300 0.227 0.000 1.066 583 M CA 2.021 57.510 55.300 0.315 0.000 1.107 583 M CB -1.025 31.735 32.600 0.266 0.000 1.356 583 M HN 0.409 nan 8.290 nan 0.000 0.406 584 N N -0.502 118.293 118.700 0.158 0.000 2.244 584 N HA 0.002 4.745 4.740 0.005 0.000 0.183 584 N C 1.420 176.970 175.510 0.067 0.000 1.016 584 N CA 1.095 54.202 53.050 0.096 0.000 0.866 584 N CB -0.259 38.269 38.487 0.068 0.000 0.980 584 N HN 0.447 nan 8.380 nan 0.000 0.430 585 A N -0.099 122.777 122.820 0.093 0.000 2.234 585 A HA -0.130 4.192 4.320 0.005 0.000 0.216 585 A C 0.506 177.978 177.584 -0.187 0.000 1.167 585 A CA 1.359 53.393 52.037 -0.004 0.000 0.698 585 A CB -0.435 18.575 19.000 0.016 0.000 0.779 585 A HN 0.410 nan 8.150 nan 0.000 0.475 586 H N -2.496 116.497 119.070 -0.128 0.000 2.649 586 H HA 0.380 4.938 4.556 0.005 0.000 0.258 586 H C -0.303 174.835 175.328 -0.317 0.000 1.165 586 H CA -0.045 55.757 56.048 -0.410 0.000 1.006 586 H CB 0.470 29.605 29.762 -1.045 0.000 1.743 586 H HN 0.417 nan 8.280 nan 0.000 0.609 587 Q N 1.083 120.844 119.800 -0.065 0.000 2.292 587 Q HA 0.340 4.683 4.340 0.005 0.000 0.270 587 Q C -0.353 175.649 176.000 0.004 0.000 1.024 587 Q CA -0.577 55.176 55.803 -0.083 0.000 0.768 587 Q CB 1.065 29.753 28.738 -0.083 0.000 1.250 587 Q HN -0.061 nan 8.270 nan 0.000 0.447 588 K N 1.758 122.191 120.400 0.054 0.000 2.438 588 K HA 0.273 4.596 4.320 0.005 0.000 0.206 588 K C -0.312 176.365 176.600 0.129 0.000 1.081 588 K CA -0.145 56.199 56.287 0.095 0.000 1.053 588 K CB 1.204 33.816 32.500 0.188 0.000 0.908 588 K HN 0.450 nan 8.250 nan 0.000 0.556 589 S N 2.095 117.884 115.700 0.148 0.000 2.448 589 S HA 0.061 4.534 4.470 0.005 0.000 0.279 589 S C 1.130 175.794 174.600 0.108 0.000 1.195 589 S CA -0.237 58.087 58.200 0.207 0.000 1.051 589 S CB 0.708 64.089 63.200 0.302 0.000 0.948 589 S HN 0.340 nan 8.310 nan 0.000 0.493 590 S N 4.006 119.757 115.700 0.084 0.000 2.603 590 S HA 0.067 4.540 4.470 0.005 0.000 0.229 590 S C 1.258 175.881 174.600 0.039 0.000 0.972 590 S CA 0.176 58.401 58.200 0.042 0.000 0.935 590 S CB -0.252 62.960 63.200 0.020 0.000 0.769 590 S HN 0.799 nan 8.310 nan 0.000 0.536 591 I N 0.648 121.251 120.570 0.056 0.000 3.941 591 I HA 0.267 4.439 4.170 0.005 0.000 0.321 591 I C 1.974 178.055 176.117 -0.061 0.000 1.284 591 I CA 0.364 61.652 61.300 -0.019 0.000 1.226 591 I CB -0.270 37.703 38.000 -0.044 0.000 1.045 591 I HN 0.415 nan 8.210 nan 0.000 0.420 592 G N 0.985 109.821 108.800 0.059 0.000 2.424 592 G HA2 -0.224 3.739 3.960 0.005 0.000 0.214 592 G HA3 -0.224 3.739 3.960 0.005 0.000 0.214 592 G C 1.273 176.249 174.900 0.127 0.000 1.202 592 G CA 0.520 45.719 45.100 0.165 0.000 0.793 592 G HN 0.294 nan 8.290 nan 0.000 0.534 593 N N 1.084 119.862 118.700 0.130 0.000 2.120 593 N HA -0.125 4.617 4.740 0.005 0.000 0.188 593 N C 2.653 178.276 175.510 0.188 0.000 1.024 593 N CA 1.694 54.888 53.050 0.240 0.000 0.852 593 N CB -0.451 38.184 38.487 0.247 0.000 1.003 593 N HN 0.425 nan 8.380 nan 0.000 0.424 594 S N 0.424 116.174 115.700 0.084 0.000 2.402 594 S HA -0.027 4.446 4.470 0.005 0.000 0.229 594 S C 1.940 176.562 174.600 0.037 0.000 1.021 594 S CA 0.363 58.596 58.200 0.055 0.000 0.974 594 S CB -0.411 62.797 63.200 0.014 0.000 0.800 594 S HN 0.117 nan 8.310 nan 0.000 0.484 595 L N 1.503 122.685 121.223 -0.067 0.000 2.131 595 L HA 0.210 4.553 4.340 0.005 0.000 0.210 595 L C 2.162 179.082 176.870 0.083 0.000 1.092 595 L CA 1.243 55.992 54.840 -0.153 0.000 0.759 595 L CB -0.715 40.920 42.059 -0.706 0.000 0.903 595 L HN 0.381 nan 8.230 nan 0.000 0.435 596 I N -1.079 119.592 120.570 0.169 0.000 2.179 596 I HA -0.317 3.856 4.170 0.005 0.000 0.242 596 I C 2.679 179.019 176.117 0.371 0.000 1.088 596 I CA 1.262 62.767 61.300 0.341 0.000 1.357 596 I CB -0.347 37.865 38.000 0.352 0.000 1.051 596 I HN 0.246 nan 8.210 nan 0.000 0.409 597 R N 0.548 121.272 120.500 0.373 0.000 2.096 597 R HA -0.204 4.138 4.340 0.005 0.000 0.240 597 R C 2.282 178.712 176.300 0.217 0.000 1.139 597 R CA 2.367 58.671 56.100 0.340 0.000 0.952 597 R CB -0.408 30.054 30.300 0.270 0.000 0.854 597 R HN 0.269 nan 8.270 nan 0.000 0.436 598 T N -0.024 114.630 114.554 0.166 0.000 2.652 598 T HA -0.187 4.166 4.350 0.005 0.000 0.267 598 T C 1.487 176.228 174.700 0.068 0.000 1.039 598 T CA 1.822 63.967 62.100 0.075 0.000 1.153 598 T CB -0.441 68.431 68.868 0.006 0.000 0.863 598 T HN 0.325 nan 8.240 nan 0.000 0.428 599 Y N 0.647 121.011 120.300 0.106 0.000 2.181 599 Y HA -0.026 4.526 4.550 0.005 0.000 0.288 599 Y C 2.589 178.568 175.900 0.130 0.000 1.146 599 Y CA 1.128 59.291 58.100 0.106 0.000 1.164 599 Y CB -0.440 38.149 38.460 0.214 0.000 0.982 599 Y HN 0.127 nan 8.280 nan 0.000 0.515 600 M N -0.081 119.705 119.600 0.310 0.000 2.082 600 M HA -0.277 4.206 4.480 0.005 0.000 0.258 600 M C 2.340 178.756 176.300 0.193 0.000 1.069 600 M CA 1.932 57.359 55.300 0.211 0.000 1.102 600 M CB -0.188 32.445 32.600 0.055 0.000 1.336 600 M HN 0.209 nan 8.290 nan 0.000 0.404 601 E N 0.605 120.880 120.200 0.125 0.000 2.153 601 E HA -0.217 4.136 4.350 0.005 0.000 0.194 601 E C 1.800 178.410 176.600 0.017 0.000 0.988 601 E CA 1.339 57.777 56.400 0.063 0.000 0.811 601 E CB -0.145 29.581 29.700 0.044 0.000 0.746 601 E HN 0.592 nan 8.360 nan 0.000 0.466 602 R N 0.017 120.521 120.500 0.006 0.000 2.193 602 R HA -0.086 4.257 4.340 0.005 0.000 0.229 602 R C 1.162 177.420 176.300 -0.069 0.000 1.110 602 R CA 1.286 57.359 56.100 -0.045 0.000 0.988 602 R CB 0.104 30.358 30.300 -0.078 0.000 0.871 602 R HN 0.155 nan 8.270 nan 0.000 0.458 603 D N -2.547 117.812 120.400 -0.068 0.000 2.401 603 D HA 0.111 4.754 4.640 0.005 0.000 0.269 603 D C -0.627 175.320 176.300 -0.588 0.000 1.117 603 D CA 0.356 54.183 54.000 -0.288 0.000 0.829 603 D CB 0.869 41.519 40.800 -0.251 0.000 1.350 603 D HN -0.028 nan 8.370 nan 0.000 0.529 604 Y N 0.041 120.283 120.300 -0.096 0.000 2.588 604 Y HA 0.447 5.000 4.550 0.005 0.000 0.343 604 Y C -0.148 175.674 175.900 -0.130 0.000 1.065 604 Y CA -0.915 57.111 58.100 -0.123 0.000 1.038 604 Y CB 1.604 39.984 38.460 -0.135 0.000 1.297 604 Y HN -0.329 nan 8.280 nan 0.000 0.467 605 I N 2.974 123.531 120.570 -0.022 0.000 2.416 605 I HA 0.134 4.307 4.170 0.005 0.000 0.288 605 I C -0.645 175.483 176.117 0.018 0.000 1.051 605 I CA -0.128 61.105 61.300 -0.111 0.000 1.375 605 I CB 0.360 38.087 38.000 -0.455 0.000 1.407 605 I HN 0.306 nan 8.210 nan 0.000 0.516 606 I N 9.494 130.093 120.570 0.048 0.000 2.436 606 I HA 0.152 4.325 4.170 0.005 0.000 0.289 606 I C -1.901 174.293 176.117 0.129 0.000 1.083 606 I CA -1.363 60.006 61.300 0.114 0.000 1.372 606 I CB -0.440 37.656 38.000 0.159 0.000 1.408 606 I HN 0.340 nan 8.210 nan 0.000 0.516 607 P HA 0.122 nan 4.420 nan 0.000 0.269 607 P C 0.345 177.728 177.300 0.138 0.000 1.215 607 P CA -0.243 62.948 63.100 0.152 0.000 0.780 607 P CB 0.681 32.465 31.700 0.140 0.000 0.898 608 E N -0.171 120.093 120.200 0.107 0.000 2.230 608 E HA -0.029 4.324 4.350 0.005 0.000 0.192 608 E C 0.429 177.076 176.600 0.078 0.000 0.987 608 E CA 0.461 56.908 56.400 0.079 0.000 0.841 608 E CB 0.064 29.802 29.700 0.063 0.000 0.783 608 E HN 0.514 nan 8.360 nan 0.000 0.481 609 S N -0.350 115.403 115.700 0.088 0.000 2.562 609 S HA 0.079 4.551 4.470 0.005 0.000 0.275 609 S C 0.676 175.354 174.600 0.130 0.000 1.281 609 S CA -0.813 57.449 58.200 0.102 0.000 1.045 609 S CB 1.100 64.349 63.200 0.082 0.000 0.962 609 S HN 0.204 nan 8.310 nan 0.000 0.503 610 F N 2.309 122.260 119.950 0.003 0.000 2.126 610 F HA -0.066 4.464 4.527 0.005 0.000 0.299 610 F C 2.099 177.906 175.800 0.012 0.000 1.096 610 F CA 1.988 59.971 58.000 -0.029 0.000 1.255 610 F CB -0.467 38.497 39.000 -0.060 0.000 0.997 610 F HN 0.809 nan 8.300 nan 0.000 0.479 611 E N -0.088 120.074 120.200 -0.062 0.000 2.153 611 E HA -0.217 4.136 4.350 0.005 0.000 0.194 611 E C 1.733 178.282 176.600 -0.084 0.000 0.988 611 E CA 1.467 57.778 56.400 -0.149 0.000 0.811 611 E CB -0.181 29.507 29.700 -0.021 0.000 0.746 611 E HN 0.440 nan 8.360 nan 0.000 0.466 612 D N -0.321 120.080 120.400 0.001 0.000 2.183 612 D HA -0.113 4.529 4.640 0.005 0.000 0.203 612 D C 1.462 177.775 176.300 0.022 0.000 0.969 612 D CA 0.489 54.538 54.000 0.082 0.000 0.842 612 D CB -0.202 40.654 40.800 0.093 0.000 0.957 612 D HN 0.100 nan 8.370 nan 0.000 0.484 613 F N 1.245 121.078 119.950 -0.195 0.000 2.102 613 F HA -0.229 4.301 4.527 0.005 0.000 0.298 613 F C 2.162 177.723 175.800 -0.398 0.000 1.105 613 F CA 1.109 58.938 58.000 -0.285 0.000 1.239 613 F CB -0.236 38.582 39.000 -0.303 0.000 0.991 613 F HN -0.215 nan 8.300 nan 0.000 0.474 614 V N 0.079 119.769 119.914 -0.373 0.000 2.287 614 V HA -0.352 3.771 4.120 0.005 0.000 0.248 614 V C 2.121 178.042 176.094 -0.288 0.000 1.053 614 V CA 2.339 64.398 62.300 -0.401 0.000 1.027 614 V CB -1.250 30.295 31.823 -0.463 0.000 0.646 614 V HN 0.628 nan 8.190 nan 0.000 0.447 615 Y N 1.004 121.158 120.300 -0.243 0.000 2.114 615 Y HA -0.218 4.335 4.550 0.005 0.000 0.284 615 Y C 2.321 178.059 175.900 -0.270 0.000 1.143 615 Y CA 2.007 60.010 58.100 -0.162 0.000 1.135 615 Y CB -0.736 37.716 38.460 -0.014 0.000 0.980 615 Y HN 0.048 nan 8.280 nan 0.000 0.499 616 V N 0.884 120.262 119.914 -0.894 0.000 2.407 616 V HA -0.231 3.892 4.120 0.005 0.000 0.248 616 V C 2.717 178.269 176.094 -0.903 0.000 1.055 616 V CA 1.811 63.507 62.300 -1.006 0.000 1.049 616 V CB -1.686 29.698 31.823 -0.732 0.000 0.662 616 V HN 0.663 nan 8.190 nan 0.000 0.455 617 G N 0.065 108.393 108.800 -0.787 0.000 2.469 617 G HA2 -0.244 3.719 3.960 0.005 0.000 0.220 617 G HA3 -0.244 3.719 3.960 0.005 0.000 0.220 617 G C 1.580 176.190 174.900 -0.483 0.000 1.136 617 G CA 1.141 45.877 45.100 -0.606 0.000 0.759 617 G HN 0.488 nan 8.290 nan 0.000 0.562 618 L N -0.032 120.865 121.223 -0.544 0.000 2.027 618 L HA -0.042 4.301 4.340 0.005 0.000 0.206 618 L C 2.999 179.431 176.870 -0.730 0.000 1.074 618 L CA 0.392 54.857 54.840 -0.625 0.000 0.745 618 L CB -0.524 41.100 42.059 -0.726 0.000 0.898 618 L HN 0.078 nan 8.230 nan 0.000 0.433 619 V N 0.043 119.514 119.914 -0.739 0.000 2.332 619 V HA -0.302 3.821 4.120 0.005 0.000 0.248 619 V C 2.399 178.163 176.094 -0.550 0.000 1.055 619 V CA 1.863 63.788 62.300 -0.625 0.000 1.038 619 V CB -0.450 30.991 31.823 -0.636 0.000 0.651 619 V HN 0.339 nan 8.190 nan 0.000 0.450 620 L N 0.060 120.900 121.223 -0.638 0.000 1.970 620 L HA -0.232 4.111 4.340 0.005 0.000 0.212 620 L C 2.543 179.149 176.870 -0.440 0.000 1.071 620 L CA 2.476 57.040 54.840 -0.460 0.000 0.751 620 L CB -0.927 40.899 42.059 -0.389 0.000 0.889 620 L HN 0.390 nan 8.230 nan 0.000 0.432 621 Q N -0.732 118.873 119.800 -0.326 0.000 2.077 621 Q HA -0.211 4.132 4.340 0.005 0.000 0.206 621 Q C 1.989 177.728 176.000 -0.435 0.000 0.989 621 Q CA 2.059 57.717 55.803 -0.242 0.000 0.853 621 Q CB -0.545 28.122 28.738 -0.118 0.000 0.907 621 Q HN 0.698 nan 8.270 nan 0.000 0.418 622 G N 0.124 108.647 108.800 -0.462 0.000 2.402 622 G HA2 -0.237 3.726 3.960 0.005 0.000 0.216 622 G HA3 -0.237 3.726 3.960 0.005 0.000 0.216 622 G C 1.367 176.010 174.900 -0.429 0.000 1.162 622 G CA 0.432 45.262 45.100 -0.451 0.000 0.777 622 G HN 0.285 nan 8.290 nan 0.000 0.539 623 Q N 0.425 119.969 119.800 -0.426 0.000 2.079 623 Q HA -0.042 4.301 4.340 0.005 0.000 0.200 623 Q C 2.833 178.506 176.000 -0.545 0.000 0.974 623 Q CA 1.459 57.037 55.803 -0.376 0.000 0.840 623 Q CB -0.796 27.786 28.738 -0.260 0.000 0.898 623 Q HN 0.439 nan 8.270 nan 0.000 0.430 624 G N 0.603 108.802 108.800 -1.002 0.000 2.402 624 G HA2 -0.208 3.755 3.960 0.005 0.000 0.216 624 G HA3 -0.208 3.755 3.960 0.005 0.000 0.216 624 G C 1.457 175.791 174.900 -0.944 0.000 1.162 624 G CA 0.552 44.512 45.100 -1.900 0.000 0.777 624 G HN 0.154 nan 8.290 nan 0.000 0.539 625 M N 0.990 120.194 119.600 -0.660 0.000 2.175 625 M HA -0.006 4.477 4.480 0.005 0.000 0.264 625 M C 2.596 178.781 176.300 -0.192 0.000 1.063 625 M CA 1.409 56.517 55.300 -0.320 0.000 1.119 625 M CB -0.695 31.626 32.600 -0.465 0.000 1.377 625 M HN 0.427 nan 8.290 nan 0.000 0.415 626 R N -1.078 119.253 120.500 -0.282 0.000 2.148 626 R HA -0.142 4.200 4.340 0.005 0.000 0.223 626 R C 1.941 178.158 176.300 -0.138 0.000 1.088 626 R CA 1.804 57.768 56.100 -0.227 0.000 0.985 626 R CB -1.263 28.887 30.300 -0.251 0.000 0.880 626 R HN 0.364 nan 8.270 nan 0.000 0.451 627 H N -0.078 118.867 119.070 -0.208 0.000 2.387 627 H HA 0.042 4.601 4.556 0.005 0.000 0.299 627 H C 1.958 177.189 175.328 -0.161 0.000 1.099 627 H CA 2.214 58.170 56.048 -0.154 0.000 1.315 627 H CB -0.397 29.282 29.762 -0.137 0.000 1.380 627 H HN 0.402 nan 8.280 nan 0.000 0.513 628 G N 0.263 109.030 108.800 -0.055 0.000 2.414 628 G HA2 -0.189 3.774 3.960 0.005 0.000 0.215 628 G HA3 -0.189 3.774 3.960 0.005 0.000 0.215 628 G C 1.702 176.184 174.900 -0.697 0.000 1.188 628 G CA 0.797 45.693 45.100 -0.339 0.000 0.783 628 G HN 0.390 nan 8.290 nan 0.000 0.537 629 L N 0.290 121.422 121.223 -0.152 0.000 2.021 629 L HA -0.179 4.164 4.340 0.005 0.000 0.215 629 L C 2.880 179.691 176.870 -0.099 0.000 1.074 629 L CA 1.727 56.573 54.840 0.010 0.000 0.760 629 L CB -0.570 41.494 42.059 0.009 0.000 0.889 629 L HN 0.297 nan 8.230 nan 0.000 0.433 630 E N 0.023 120.106 120.200 -0.195 0.000 2.058 630 E HA -0.249 4.104 4.350 0.005 0.000 0.194 630 E C 2.296 178.718 176.600 -0.296 0.000 0.997 630 E CA 1.274 57.540 56.400 -0.224 0.000 0.801 630 E CB -0.225 29.331 29.700 -0.239 0.000 0.746 630 E HN 0.530 nan 8.360 nan 0.000 0.450 631 A N 0.570 123.135 122.820 -0.424 0.000 1.972 631 A HA -0.205 4.118 4.320 0.005 0.000 0.219 631 A C 1.602 179.060 177.584 -0.210 0.000 1.169 631 A CA 1.542 53.353 52.037 -0.376 0.000 0.635 631 A CB -0.724 18.029 19.000 -0.411 0.000 0.810 631 A HN 0.332 nan 8.150 nan 0.000 0.446 632 H N -0.998 118.013 119.070 -0.098 0.000 2.343 632 H HA 0.019 4.577 4.556 0.005 0.000 0.303 632 H C 2.434 177.808 175.328 0.077 0.000 1.068 632 H CA 1.082 57.147 56.048 0.028 0.000 1.359 632 H CB -0.011 29.785 29.762 0.056 0.000 1.402 632 H HN 0.379 nan 8.280 nan 0.000 0.515 633 R N 0.701 121.174 120.500 -0.044 0.000 2.081 633 R HA -0.103 4.240 4.340 0.005 0.000 0.235 633 R C 2.379 178.505 176.300 -0.291 0.000 1.131 633 R CA 1.060 56.847 56.100 -0.521 0.000 0.960 633 R CB -0.181 29.820 30.300 -0.499 0.000 0.856 633 R HN 0.256 nan 8.270 nan 0.000 0.436 634 R N 0.917 121.285 120.500 -0.220 0.000 2.120 634 R HA -0.054 4.289 4.340 0.005 0.000 0.234 634 R C 0.885 177.075 176.300 -0.184 0.000 1.123 634 R CA 1.210 57.147 56.100 -0.272 0.000 0.975 634 R CB 0.032 30.070 30.300 -0.437 0.000 0.866 634 R HN 0.208 nan 8.270 nan 0.000 0.446 635 N N 1.003 119.661 118.700 -0.070 0.000 2.295 635 N HA -0.037 4.706 4.740 0.005 0.000 0.221 635 N C -0.378 175.232 175.510 0.167 0.000 1.129 635 N CA -0.063 53.010 53.050 0.039 0.000 0.836 635 N CB 0.347 38.867 38.487 0.055 0.000 1.040 635 N HN 0.206 nan 8.380 nan 0.000 0.494 636 R N 2.297 122.878 120.500 0.136 0.000 2.594 636 R HA 0.110 4.452 4.340 0.005 0.000 0.272 636 R C -1.343 175.045 176.300 0.147 0.000 1.074 636 R CA -0.813 55.403 56.100 0.193 0.000 1.105 636 R CB 0.738 31.123 30.300 0.142 0.000 1.008 636 R HN -0.018 nan 8.270 nan 0.000 0.472 637 P HA -0.093 nan 4.420 nan 0.000 0.240 637 P C 0.715 178.105 177.300 0.151 0.000 1.190 637 P CA 0.527 63.703 63.100 0.126 0.000 0.781 637 P CB -0.055 31.678 31.700 0.055 0.000 0.931 638 Y N 1.115 121.474 120.300 0.098 0.000 2.069 638 Y HA -0.216 4.337 4.550 0.004 0.000 0.278 638 Y C 1.334 177.313 175.900 0.131 0.000 1.175 638 Y CA 1.410 59.577 58.100 0.111 0.000 1.134 638 Y CB -0.646 37.876 38.460 0.103 0.000 0.965 638 Y HN 0.047 nan 8.280 nan 0.000 0.498 639 C N 1.820 121.309 119.300 0.316 0.000 2.319 639 C HA 0.414 4.877 4.460 0.005 0.000 0.335 639 C C 0.599 175.707 174.990 0.198 0.000 1.274 639 C CA -0.818 58.333 59.018 0.221 0.000 1.806 639 C CB 0.083 27.989 27.740 0.276 0.000 2.329 639 C HN 0.593 nan 8.230 nan 0.000 0.524 640 M N 4.575 124.159 119.600 -0.027 0.000 2.416 640 M HA 0.337 4.820 4.480 0.005 0.000 0.337 640 M C 0.471 176.219 176.300 -0.921 0.000 1.074 640 M CA 0.150 55.329 55.300 -0.202 0.000 0.968 640 M CB 0.029 32.708 32.600 0.131 0.000 1.472 640 M HN 1.011 nan 8.290 nan 0.000 0.539 641 G N -0.524 107.432 108.800 -1.407 0.000 2.411 641 G HA2 0.396 4.359 3.960 0.005 0.000 0.295 641 G HA3 0.396 4.359 3.960 0.005 0.000 0.295 641 G C -1.652 172.484 174.900 -1.274 0.000 1.542 641 G CA -0.393 43.635 45.100 -1.786 0.000 0.814 641 G HN -0.089 nan 8.290 nan 0.000 0.557 642 T N 0.395 114.519 114.554 -0.716 0.000 3.109 642 T HA 0.588 4.941 4.350 0.005 0.000 0.311 642 T C -1.120 173.566 174.700 -0.023 0.000 1.011 642 T CA -0.477 61.472 62.100 -0.252 0.000 1.026 642 T CB 0.581 69.580 68.868 0.218 0.000 1.047 642 T HN 0.586 nan 8.240 nan 0.000 0.448 643 L N 6.519 127.763 121.223 0.035 0.000 2.316 643 L HA 0.543 4.886 4.340 0.005 0.000 0.280 643 L C -0.277 176.676 176.870 0.138 0.000 1.006 643 L CA -1.363 53.504 54.840 0.045 0.000 0.836 643 L CB 0.955 42.994 42.059 -0.034 0.000 1.221 643 L HN 0.717 nan 8.230 nan 0.000 0.418 644 Y N 0.474 120.839 120.300 0.109 0.000 2.336 644 Y HA 0.263 4.815 4.550 0.005 0.000 0.331 644 Y C -0.254 175.561 175.900 -0.142 0.000 1.211 644 Y CA -0.979 57.071 58.100 -0.084 0.000 1.346 644 Y CB 0.733 39.006 38.460 -0.313 0.000 1.271 644 Y HN 0.580 nan 8.280 nan 0.000 0.538 645 W N 6.942 128.151 121.300 -0.151 0.000 2.387 645 W HA 0.318 4.981 4.660 0.004 0.000 0.310 645 W C -1.327 175.175 176.519 -0.028 0.000 1.181 645 W CA -0.461 56.782 57.345 -0.169 0.000 1.333 645 W CB 0.986 30.404 29.460 -0.069 0.000 1.286 645 W HN 0.913 nan 8.180 nan 0.000 0.455 646 Q N 4.099 123.569 119.800 -0.549 0.000 2.456 646 Q HA 0.236 4.579 4.340 0.005 0.000 0.284 646 Q C -0.395 175.232 176.000 -0.623 0.000 1.061 646 Q CA -0.865 54.233 55.803 -1.174 0.000 0.799 646 Q CB 1.819 29.338 28.738 -2.032 0.000 1.445 646 Q HN 0.396 nan 8.270 nan 0.000 0.411 647 L N 1.370 122.181 121.223 -0.686 0.000 2.027 647 L HA 0.018 4.361 4.340 0.005 0.000 0.206 647 L C 0.060 176.690 176.870 -0.401 0.000 1.074 647 L CA 2.074 56.653 54.840 -0.434 0.000 0.745 647 L CB -0.245 41.576 42.059 -0.397 0.000 0.898 647 L HN 0.916 nan 8.230 nan 0.000 0.433 648 N N -2.311 116.074 118.700 -0.525 0.000 2.902 648 N HA 0.266 5.009 4.740 0.005 0.000 0.268 648 N C -1.631 173.586 175.510 -0.489 0.000 1.450 648 N CA -0.681 52.106 53.050 -0.439 0.000 0.819 648 N CB 1.118 39.375 38.487 -0.384 0.000 1.540 648 N HN -0.133 nan 8.380 nan 0.000 0.545 649 D N -0.826 119.377 120.400 -0.328 0.000 2.433 649 D HA 0.298 4.941 4.640 0.005 0.000 0.236 649 D C 0.388 176.639 176.300 -0.082 0.000 1.026 649 D CA -0.363 53.494 54.000 -0.239 0.000 0.884 649 D CB 2.155 42.866 40.800 -0.148 0.000 1.384 649 D HN 0.607 nan 8.370 nan 0.000 0.477 650 S N 0.356 116.066 115.700 0.016 0.000 2.548 650 S HA 0.140 4.612 4.470 0.005 0.000 0.215 650 S C 0.387 174.998 174.600 0.019 0.000 0.976 650 S CA -0.226 58.059 58.200 0.142 0.000 0.908 650 S CB 0.250 63.605 63.200 0.259 0.000 0.781 650 S HN 0.609 nan 8.310 nan 0.000 0.519 651 W N -0.574 120.340 121.300 -0.642 0.000 2.929 651 W HA 0.516 5.179 4.660 0.005 0.000 0.363 651 W C -3.899 172.077 176.519 -0.904 0.000 1.168 651 W CA -2.311 54.124 57.345 -1.516 0.000 1.163 651 W CB -0.217 28.297 29.460 -1.577 0.000 1.455 651 W HN -0.232 nan 8.180 nan 0.000 0.568 652 P HA 0.398 nan 4.420 nan 0.000 0.276 652 P C -0.582 175.993 177.300 -1.208 0.000 1.253 652 P CA 0.342 63.039 63.100 -0.672 0.000 0.766 652 P CB 1.514 33.183 31.700 -0.052 0.000 0.845 653 V N 4.075 123.479 119.914 -0.849 0.000 3.236 653 V HA 0.225 4.347 4.120 0.005 0.000 0.287 653 V C -1.191 174.639 176.094 -0.441 0.000 1.491 653 V CA -0.902 60.875 62.300 -0.872 0.000 1.037 653 V CB 2.504 33.696 31.823 -1.052 0.000 1.160 653 V HN 0.067 nan 8.190 nan 0.000 0.453 654 V N 4.627 124.278 119.914 -0.440 0.000 2.455 654 V HA 0.742 4.865 4.120 0.005 0.000 0.273 654 V C 0.355 176.201 176.094 -0.413 0.000 1.045 654 V CA 0.906 62.909 62.300 -0.494 0.000 0.976 654 V CB 0.662 32.020 31.823 -0.775 0.000 0.993 654 V HN 1.182 nan 8.190 nan 0.000 0.475 655 S N 4.004 119.453 115.700 -0.417 0.000 2.615 655 S HA 0.395 4.868 4.470 0.005 0.000 0.269 655 S C -0.182 174.168 174.600 -0.417 0.000 1.161 655 S CA -0.870 57.122 58.200 -0.346 0.000 0.817 655 S CB 1.079 64.258 63.200 -0.034 0.000 1.131 655 S HN 0.562 nan 8.310 nan 0.000 0.467 656 W N 2.425 123.558 121.300 -0.277 0.000 2.961 656 W HA 0.102 4.764 4.660 0.005 0.000 0.240 656 W C 1.226 177.564 176.519 -0.301 0.000 1.305 656 W CA 0.291 57.471 57.345 -0.276 0.000 1.465 656 W CB -0.768 28.664 29.460 -0.047 0.000 1.135 656 W HN 0.801 nan 8.180 nan 0.000 0.688 657 S N 0.451 116.069 115.700 -0.136 0.000 2.589 657 S HA 0.090 4.562 4.470 0.005 0.000 0.265 657 S C 1.192 175.678 174.600 -0.190 0.000 1.342 657 S CA 0.174 58.241 58.200 -0.223 0.000 1.005 657 S CB 1.662 64.696 63.200 -0.275 0.000 0.909 657 S HN 0.107 nan 8.310 nan 0.000 0.555 658 S N 0.329 115.931 115.700 -0.163 0.000 2.512 658 S HA 0.352 4.825 4.470 0.005 0.000 0.216 658 S C 0.147 174.613 174.600 -0.224 0.000 1.006 658 S CA -0.486 57.610 58.200 -0.173 0.000 0.915 658 S CB -0.537 62.610 63.200 -0.089 0.000 0.824 658 S HN 0.677 nan 8.310 nan 0.000 0.497 659 I N 3.418 123.829 120.570 -0.265 0.000 2.447 659 I HA 0.339 4.512 4.170 0.005 0.000 0.287 659 I C -0.774 175.244 176.117 -0.165 0.000 1.023 659 I CA -0.948 60.199 61.300 -0.255 0.000 1.083 659 I CB 1.928 39.688 38.000 -0.400 0.000 1.245 659 I HN 0.181 nan 8.210 nan 0.000 0.434 660 D N 4.600 124.958 120.400 -0.069 0.000 2.393 660 D HA -0.123 4.520 4.640 0.005 0.000 0.246 660 D C 1.001 177.276 176.300 -0.042 0.000 1.275 660 D CA 0.033 54.010 54.000 -0.037 0.000 0.979 660 D CB 0.478 41.308 40.800 0.051 0.000 1.101 660 D HN 0.538 nan 8.370 nan 0.000 0.505 661 Y N -0.381 119.788 120.300 -0.217 0.000 2.274 661 Y HA -0.173 4.380 4.550 0.005 0.000 0.290 661 Y C 1.111 176.814 175.900 -0.329 0.000 1.145 661 Y CA 1.335 59.232 58.100 -0.339 0.000 1.203 661 Y CB -0.298 37.855 38.460 -0.511 0.000 0.984 661 Y HN 0.401 nan 8.280 nan 0.000 0.533 662 Y N -0.142 120.119 120.300 -0.065 0.000 2.490 662 Y HA 0.287 4.840 4.550 0.005 0.000 0.281 662 Y C 1.928 177.791 175.900 -0.060 0.000 1.174 662 Y CA 0.349 58.387 58.100 -0.103 0.000 1.295 662 Y CB 0.030 38.512 38.460 0.036 0.000 1.062 662 Y HN 0.229 nan 8.280 nan 0.000 0.522 663 G N -0.400 108.427 108.800 0.046 0.000 2.176 663 G HA2 -0.257 3.705 3.960 0.005 0.000 0.232 663 G HA3 -0.257 3.705 3.960 0.005 0.000 0.232 663 G C -0.126 174.878 174.900 0.175 0.000 0.986 663 G CA -0.421 44.718 45.100 0.065 0.000 0.643 663 G HN 0.265 nan 8.290 nan 0.000 0.522 664 N N 0.447 119.267 118.700 0.200 0.000 2.497 664 N HA 0.311 5.054 4.740 0.005 0.000 0.271 664 N C -0.185 175.515 175.510 0.316 0.000 1.142 664 N CA 0.019 53.238 53.050 0.282 0.000 0.965 664 N CB 0.470 39.123 38.487 0.278 0.000 1.077 664 N HN 0.225 nan 8.380 nan 0.000 0.462 665 W N 2.329 123.660 121.300 0.052 0.000 2.304 665 W HA 0.213 4.876 4.660 0.005 0.000 0.313 665 W C 1.098 177.675 176.519 0.096 0.000 1.323 665 W CA -0.353 56.949 57.345 -0.071 0.000 1.223 665 W CB 0.153 29.396 29.460 -0.362 0.000 1.237 665 W HN 0.234 nan 8.180 nan 0.000 0.535 666 K N 1.885 122.359 120.400 0.123 0.000 2.155 666 K HA 0.427 4.750 4.320 0.005 0.000 0.237 666 K C 1.250 177.783 176.600 -0.112 0.000 1.040 666 K CA -0.096 56.150 56.287 -0.069 0.000 0.912 666 K CB 0.531 32.902 32.500 -0.216 0.000 1.137 666 K HN 0.444 nan 8.250 nan 0.000 0.498 667 A N 0.862 123.232 122.820 -0.751 0.000 1.902 667 A HA -0.170 4.153 4.320 0.005 0.000 0.217 667 A C 2.001 179.414 177.584 -0.286 0.000 1.181 667 A CA 1.464 53.033 52.037 -0.780 0.000 0.623 667 A CB -0.581 17.614 19.000 -1.342 0.000 0.818 667 A HN 0.617 nan 8.150 nan 0.000 0.443 668 L N -0.695 120.300 121.223 -0.379 0.000 2.089 668 L HA -0.237 4.105 4.340 0.005 0.000 0.213 668 L C 2.194 178.835 176.870 -0.381 0.000 1.079 668 L CA 2.800 57.398 54.840 -0.405 0.000 0.758 668 L CB -0.957 40.822 42.059 -0.467 0.000 0.891 668 L HN 0.602 nan 8.230 nan 0.000 0.433 669 H N -2.168 116.676 119.070 -0.377 0.000 2.357 669 H HA -0.133 4.426 4.556 0.005 0.000 0.301 669 H C 1.901 176.988 175.328 -0.402 0.000 1.082 669 H CA 2.253 57.965 56.048 -0.561 0.000 1.342 669 H CB -0.170 28.994 29.762 -0.996 0.000 1.389 669 H HN 0.462 nan 8.280 nan 0.000 0.511 670 Y N 0.189 120.516 120.300 0.046 0.000 2.200 670 Y HA -0.214 4.339 4.550 0.005 0.000 0.290 670 Y C 2.637 178.504 175.900 -0.056 0.000 1.137 670 Y CA 1.133 59.338 58.100 0.176 0.000 1.163 670 Y CB -0.187 38.456 38.460 0.305 0.000 0.988 670 Y HN 0.237 nan 8.280 nan 0.000 0.518 671 Q N 0.044 119.835 119.800 -0.014 0.000 2.084 671 Q HA -0.171 4.172 4.340 0.005 0.000 0.202 671 Q C 2.632 178.438 176.000 -0.322 0.000 0.978 671 Q CA 1.406 57.112 55.803 -0.161 0.000 0.844 671 Q CB -0.820 27.776 28.738 -0.237 0.000 0.898 671 Q HN 0.538 nan 8.270 nan 0.000 0.426 672 A N 1.746 124.262 122.820 -0.507 0.000 1.883 672 A HA -0.250 4.073 4.320 0.005 0.000 0.217 672 A C 2.165 179.336 177.584 -0.688 0.000 1.186 672 A CA 1.971 53.538 52.037 -0.784 0.000 0.624 672 A CB -0.572 17.936 19.000 -0.820 0.000 0.822 672 A HN 0.345 nan 8.150 nan 0.000 0.444 673 K N -0.416 119.734 120.400 -0.416 0.000 2.044 673 K HA -0.236 4.087 4.320 0.005 0.000 0.210 673 K C 2.288 178.852 176.600 -0.060 0.000 1.049 673 K CA 1.842 58.037 56.287 -0.154 0.000 0.927 673 K CB -0.219 32.271 32.500 -0.016 0.000 0.713 673 K HN 0.472 nan 8.250 nan 0.000 0.443 674 R N -0.219 120.241 120.500 -0.068 0.000 2.083 674 R HA -0.106 4.237 4.340 0.005 0.000 0.237 674 R C 2.374 178.637 176.300 -0.063 0.000 1.137 674 R CA 1.488 57.568 56.100 -0.033 0.000 0.951 674 R CB -0.401 29.887 30.300 -0.019 0.000 0.851 674 R HN 0.286 nan 8.270 nan 0.000 0.434 675 A N 0.067 122.786 122.820 -0.168 0.000 2.121 675 A HA -0.069 4.254 4.320 0.005 0.000 0.218 675 A C 1.177 178.779 177.584 0.029 0.000 1.154 675 A CA 0.933 52.880 52.037 -0.150 0.000 0.679 675 A CB -0.147 18.688 19.000 -0.275 0.000 0.795 675 A HN 0.195 nan 8.150 nan 0.000 0.458 676 F N -0.331 119.591 119.950 -0.047 0.000 2.695 676 F HA 0.452 4.982 4.527 0.005 0.000 0.303 676 F C 1.438 177.220 175.800 -0.030 0.000 1.091 676 F CA -0.967 57.011 58.000 -0.036 0.000 1.300 676 F CB -0.951 38.028 39.000 -0.034 0.000 1.071 676 F HN 0.163 nan 8.300 nan 0.000 0.578 677 A N 1.648 124.554 122.820 0.143 0.000 2.565 677 A HA 0.104 4.426 4.320 0.005 0.000 0.237 677 A C -1.135 176.491 177.584 0.070 0.000 1.053 677 A CA -0.705 51.385 52.037 0.088 0.000 0.755 677 A CB -0.253 18.779 19.000 0.053 0.000 0.980 677 A HN 0.081 nan 8.150 nan 0.000 0.506 678 P HA -0.112 nan 4.420 nan 0.000 0.216 678 P C 0.025 177.355 177.300 0.049 0.000 1.154 678 P CA 1.261 64.399 63.100 0.063 0.000 0.865 678 P CB -0.016 31.729 31.700 0.075 0.000 0.789 679 V N 0.135 120.071 119.914 0.037 0.000 2.444 679 V HA 0.431 4.554 4.120 0.005 0.000 0.294 679 V C -0.313 175.789 176.094 0.013 0.000 1.022 679 V CA -0.768 61.544 62.300 0.022 0.000 0.850 679 V CB 1.703 33.535 31.823 0.015 0.000 0.992 679 V HN -0.156 nan 8.190 nan 0.000 0.426 680 L N 6.255 127.482 121.223 0.007 0.000 2.410 680 L HA 0.707 5.050 4.340 0.005 0.000 0.270 680 L C -0.792 176.082 176.870 0.007 0.000 0.983 680 L CA -0.143 54.699 54.840 0.003 0.000 0.822 680 L CB 1.808 43.865 42.059 -0.004 0.000 1.285 680 L HN 0.571 nan 8.230 nan 0.000 0.409 681 I N 4.543 125.116 120.570 0.004 0.000 2.337 681 I HA 0.254 4.427 4.170 0.005 0.000 0.291 681 I C 0.115 176.241 176.117 0.016 0.000 1.046 681 I CA 0.166 61.473 61.300 0.011 0.000 1.324 681 I CB 0.439 38.438 38.000 -0.003 0.000 1.409 681 I HN 0.670 nan 8.210 nan 0.000 0.494 682 N N 8.976 127.700 118.700 0.039 0.000 2.706 682 N HA 0.323 5.066 4.740 0.005 0.000 0.240 682 N C -2.634 172.913 175.510 0.063 0.000 1.039 682 N CA -1.639 51.428 53.050 0.028 0.000 0.888 682 N CB 1.330 39.809 38.487 -0.013 0.000 1.128 682 N HN 0.231 nan 8.380 nan 0.000 0.512 683 P HA 0.172 nan 4.420 nan 0.000 0.276 683 P C -0.808 176.466 177.300 -0.042 0.000 1.243 683 P CA -0.305 62.761 63.100 -0.056 0.000 0.768 683 P CB 1.111 32.673 31.700 -0.231 0.000 0.856 684 I N 2.349 122.930 120.570 0.018 0.000 2.478 684 I HA 0.324 4.497 4.170 0.005 0.000 0.287 684 I C -0.873 175.312 176.117 0.114 0.000 1.042 684 I CA -0.787 60.557 61.300 0.073 0.000 1.067 684 I CB 1.940 39.953 38.000 0.022 0.000 1.233 684 I HN 0.270 nan 8.210 nan 0.000 0.431 685 Q N 7.008 126.920 119.800 0.187 0.000 2.348 685 Q HA 0.564 4.907 4.340 0.005 0.000 0.265 685 Q C -1.586 174.525 176.000 0.184 0.000 0.998 685 Q CA -0.521 55.408 55.803 0.210 0.000 0.831 685 Q CB 1.154 30.092 28.738 0.332 0.000 1.251 685 Q HN 0.751 nan 8.270 nan 0.000 0.456 686 Q N 2.590 122.479 119.800 0.148 0.000 2.389 686 Q HA 0.327 4.670 4.340 0.005 0.000 0.277 686 Q C -0.983 175.078 176.000 0.102 0.000 1.082 686 Q CA -0.848 55.026 55.803 0.118 0.000 0.810 686 Q CB 1.860 30.660 28.738 0.104 0.000 1.374 686 Q HN 0.878 nan 8.270 nan 0.000 0.422 687 N N 1.786 120.536 118.700 0.083 0.000 2.714 687 N HA -0.238 4.505 4.740 0.005 0.000 0.252 687 N C -1.145 174.408 175.510 0.072 0.000 1.014 687 N CA 0.969 54.060 53.050 0.068 0.000 0.735 687 N CB -0.757 37.766 38.487 0.059 0.000 0.924 687 N HN 0.843 nan 8.380 nan 0.000 0.540 688 D N -1.413 119.035 120.400 0.081 0.000 2.870 688 D HA -0.195 4.448 4.640 0.005 0.000 0.228 688 D C -1.068 175.295 176.300 0.105 0.000 1.147 688 D CA 1.673 55.721 54.000 0.081 0.000 0.757 688 D CB -0.861 39.971 40.800 0.053 0.000 1.091 688 D HN 0.477 nan 8.370 nan 0.000 0.429 689 S N -0.741 115.039 115.700 0.133 0.000 2.543 689 S HA 0.601 5.074 4.470 0.005 0.000 0.271 689 S C -1.634 173.079 174.600 0.187 0.000 1.148 689 S CA -0.979 57.312 58.200 0.153 0.000 0.914 689 S CB 1.197 64.461 63.200 0.107 0.000 1.096 689 S HN 0.300 nan 8.310 nan 0.000 0.471 690 L N 4.074 125.442 121.223 0.242 0.000 2.264 690 L HA 0.712 5.055 4.340 0.005 0.000 0.289 690 L C -0.259 176.728 176.870 0.194 0.000 1.044 690 L CA 0.406 55.391 54.840 0.243 0.000 0.807 690 L CB 1.354 43.650 42.059 0.395 0.000 1.192 690 L HN 0.622 nan 8.230 nan 0.000 0.425 691 S N 3.353 119.150 115.700 0.163 0.000 2.509 691 S HA 0.738 5.211 4.470 0.005 0.000 0.297 691 S C -0.853 173.857 174.600 0.183 0.000 1.118 691 S CA -0.574 57.721 58.200 0.160 0.000 1.074 691 S CB 1.741 65.080 63.200 0.232 0.000 1.038 691 S HN 0.422 nan 8.310 nan 0.000 0.498 692 V N 3.862 123.867 119.914 0.151 0.000 2.409 692 V HA 0.414 4.537 4.120 0.005 0.000 0.291 692 V C -1.256 174.856 176.094 0.030 0.000 1.020 692 V CA -0.628 61.747 62.300 0.125 0.000 0.848 692 V CB 0.531 32.410 31.823 0.094 0.000 0.990 692 V HN 0.828 nan 8.190 nan 0.000 0.430 693 Y N 4.366 124.670 120.300 0.006 0.000 2.361 693 Y HA 0.635 5.187 4.550 0.005 0.000 0.332 693 Y C 0.152 176.044 175.900 -0.014 0.000 1.101 693 Y CA -0.851 57.246 58.100 -0.004 0.000 1.137 693 Y CB 1.759 40.207 38.460 -0.020 0.000 1.207 693 Y HN 0.421 nan 8.280 nan 0.000 0.463 694 L N 5.234 126.523 121.223 0.110 0.000 2.296 694 L HA 0.544 4.887 4.340 0.005 0.000 0.286 694 L C -0.886 176.029 176.870 0.075 0.000 1.023 694 L CA -0.490 54.389 54.840 0.066 0.000 0.812 694 L CB 1.083 43.155 42.059 0.023 0.000 1.223 694 L HN 0.525 nan 8.230 nan 0.000 0.421 695 I N 2.455 123.051 120.570 0.043 0.000 2.439 695 I HA 0.295 4.468 4.170 0.005 0.000 0.285 695 I C -0.237 175.880 176.117 0.001 0.000 1.021 695 I CA -0.120 61.186 61.300 0.010 0.000 1.091 695 I CB 2.072 40.049 38.000 -0.037 0.000 1.242 695 I HN 0.496 nan 8.210 nan 0.000 0.439 696 S N 3.971 119.677 115.700 0.010 0.000 2.561 696 S HA 0.368 4.841 4.470 0.005 0.000 0.303 696 S C -0.237 174.395 174.600 0.054 0.000 1.110 696 S CA -0.657 57.561 58.200 0.031 0.000 1.034 696 S CB 1.089 64.312 63.200 0.039 0.000 1.010 696 S HN 0.543 nan 8.310 nan 0.000 0.482 697 D N 3.156 123.606 120.400 0.082 0.000 2.395 697 D HA 0.171 4.814 4.640 0.005 0.000 0.226 697 D C 0.406 176.892 176.300 0.310 0.000 1.146 697 D CA 0.013 54.123 54.000 0.183 0.000 0.830 697 D CB 0.270 41.144 40.800 0.124 0.000 0.958 697 D HN 0.400 nan 8.370 nan 0.000 0.501 698 R N 0.419 121.030 120.500 0.185 0.000 2.582 698 R HA 0.291 4.634 4.340 0.005 0.000 0.271 698 R C 1.450 177.781 176.300 0.051 0.000 1.078 698 R CA -0.416 55.770 56.100 0.142 0.000 1.127 698 R CB 1.463 31.806 30.300 0.071 0.000 1.038 698 R HN 0.063 nan 8.270 nan 0.000 0.500 699 L N 0.724 121.894 121.223 -0.088 0.000 2.375 699 L HA -0.027 4.316 4.340 0.005 0.000 0.215 699 L C 0.667 177.453 176.870 -0.141 0.000 1.108 699 L CA 0.589 55.273 54.840 -0.261 0.000 0.830 699 L CB -0.162 41.629 42.059 -0.446 0.000 0.959 699 L HN 0.654 nan 8.230 nan 0.000 0.457 700 D N -0.833 119.524 120.400 -0.071 0.000 2.181 700 D HA 0.117 4.760 4.640 0.005 0.000 0.248 700 D C -0.257 176.033 176.300 -0.017 0.000 1.020 700 D CA -0.352 53.623 54.000 -0.041 0.000 0.891 700 D CB 1.353 42.138 40.800 -0.025 0.000 1.187 700 D HN -0.268 nan 8.370 nan 0.000 0.443 701 T N 1.714 116.260 114.554 -0.013 0.000 2.884 701 T HA 0.248 4.600 4.350 0.005 0.000 0.298 701 T C 0.474 175.176 174.700 0.004 0.000 0.998 701 T CA -0.268 61.831 62.100 -0.001 0.000 1.124 701 T CB 0.471 69.337 68.868 -0.002 0.000 0.931 701 T HN 0.251 nan 8.240 nan 0.000 0.531 702 M N 3.027 122.632 119.600 0.009 0.000 2.300 702 M HA 0.402 4.885 4.480 0.005 0.000 0.348 702 M C 0.081 176.388 176.300 0.011 0.000 1.151 702 M CA -0.399 54.907 55.300 0.011 0.000 1.046 702 M CB 1.460 34.067 32.600 0.011 0.000 1.647 702 M HN 0.553 nan 8.290 nan 0.000 0.451 703 E N 1.562 121.770 120.200 0.014 0.000 2.266 703 E HA 0.316 4.669 4.350 0.005 0.000 0.268 703 E C -1.061 175.551 176.600 0.019 0.000 0.879 703 E CA -0.506 55.903 56.400 0.014 0.000 0.762 703 E CB 1.763 31.470 29.700 0.012 0.000 1.199 703 E HN 0.588 nan 8.360 nan 0.000 0.422 704 Q N 1.499 121.312 119.800 0.021 0.000 2.479 704 Q HA -0.169 4.174 4.340 0.005 0.000 0.282 704 Q C -0.589 175.434 176.000 0.039 0.000 1.279 704 Q CA 0.369 56.190 55.803 0.030 0.000 0.815 704 Q CB -0.860 27.892 28.738 0.024 0.000 1.204 704 Q HN 0.458 nan 8.270 nan 0.000 0.444 705 M N 0.079 119.699 119.600 0.033 0.000 2.359 705 M HA 0.420 4.903 4.480 0.005 0.000 0.322 705 M C 0.553 176.874 176.300 0.034 0.000 1.166 705 M CA 0.119 55.434 55.300 0.026 0.000 1.067 705 M CB 1.269 33.873 32.600 0.006 0.000 1.523 705 M HN -0.022 nan 8.290 nan 0.000 0.467 706 T N 2.711 117.276 114.554 0.018 0.000 2.847 706 T HA 0.505 4.857 4.350 0.005 0.000 0.291 706 T C -0.836 173.815 174.700 -0.081 0.000 0.998 706 T CA -0.542 61.543 62.100 -0.026 0.000 0.967 706 T CB 1.257 70.160 68.868 0.058 0.000 0.954 706 T HN 0.492 nan 8.240 nan 0.000 0.441 707 L N 3.860 125.007 121.223 -0.126 0.000 2.290 707 L HA 0.546 4.888 4.340 0.005 0.000 0.284 707 L C 0.124 176.878 176.870 -0.193 0.000 1.078 707 L CA 0.065 54.822 54.840 -0.138 0.000 0.815 707 L CB 0.527 42.505 42.059 -0.135 0.000 1.162 707 L HN 0.651 nan 8.230 nan 0.000 0.435 708 E N 6.058 126.169 120.200 -0.148 0.000 2.210 708 E HA 0.554 4.906 4.350 0.005 0.000 0.266 708 E C -1.622 174.909 176.600 -0.115 0.000 0.883 708 E CA -0.687 55.627 56.400 -0.142 0.000 0.761 708 E CB 1.327 30.973 29.700 -0.090 0.000 1.156 708 E HN 0.740 nan 8.360 nan 0.000 0.412 709 M N 3.668 123.191 119.600 -0.128 0.000 2.530 709 M HA 0.456 4.939 4.480 0.005 0.000 0.307 709 M C -0.985 175.308 176.300 -0.013 0.000 1.161 709 M CA -0.827 54.431 55.300 -0.069 0.000 0.903 709 M CB 2.519 35.051 32.600 -0.114 0.000 1.711 709 M HN 0.400 nan 8.290 nan 0.000 0.451 710 K N 0.630 121.054 120.400 0.040 0.000 2.523 710 K HA 0.690 5.013 4.320 0.005 0.000 0.257 710 K C -1.725 174.910 176.600 0.058 0.000 0.932 710 K CA -0.925 55.396 56.287 0.056 0.000 0.812 710 K CB 1.882 34.392 32.500 0.017 0.000 1.326 710 K HN 0.472 nan 8.250 nan 0.000 0.433 711 V N 2.365 122.331 119.914 0.087 0.000 2.583 711 V HA 0.292 4.415 4.120 0.005 0.000 0.287 711 V C -0.381 175.609 176.094 -0.174 0.000 1.051 711 V CA -0.474 61.831 62.300 0.009 0.000 1.010 711 V CB 1.203 33.068 31.823 0.071 0.000 0.988 711 V HN 0.565 nan 8.190 nan 0.000 0.478 712 V N 4.226 123.871 119.914 -0.449 0.000 2.623 712 V HA 0.361 4.484 4.120 0.005 0.000 0.304 712 V C -0.409 175.345 176.094 -0.567 0.000 1.054 712 V CA -0.961 61.002 62.300 -0.561 0.000 0.882 712 V CB 2.055 33.431 31.823 -0.747 0.000 1.002 712 V HN 1.023 nan 8.190 nan 0.000 0.424 713 D N 3.314 123.553 120.400 -0.268 0.000 2.398 713 D HA 0.120 4.763 4.640 0.005 0.000 0.247 713 D C 0.735 177.110 176.300 0.125 0.000 1.227 713 D CA -0.406 53.490 54.000 -0.172 0.000 0.980 713 D CB 0.643 41.344 40.800 -0.165 0.000 1.106 713 D HN 0.238 nan 8.370 nan 0.000 0.493 714 F N -0.458 119.542 119.950 0.084 0.000 2.641 714 F HA 0.007 4.537 4.527 0.005 0.000 0.298 714 F C 1.554 177.416 175.800 0.103 0.000 1.146 714 F CA 0.179 58.281 58.000 0.169 0.000 1.464 714 F CB -0.581 38.516 39.000 0.161 0.000 1.101 714 F HN 0.320 nan 8.300 nan 0.000 0.585 715 D N -1.149 119.380 120.400 0.215 0.000 2.367 715 D HA 0.208 4.851 4.640 0.005 0.000 0.207 715 D C 2.118 178.479 176.300 0.103 0.000 1.034 715 D CA 1.080 55.155 54.000 0.125 0.000 0.861 715 D CB 0.798 41.645 40.800 0.078 0.000 0.943 715 D HN 0.361 nan 8.370 nan 0.000 0.515 716 G N 0.869 109.733 108.800 0.106 0.000 2.273 716 G HA2 -0.173 3.790 3.960 0.005 0.000 0.162 716 G HA3 -0.173 3.790 3.960 0.005 0.000 0.162 716 G C 0.278 175.198 174.900 0.033 0.000 1.006 716 G CA -0.519 44.634 45.100 0.088 0.000 0.704 716 G HN 0.090 nan 8.290 nan 0.000 0.487 717 K N 1.872 122.270 120.400 -0.004 0.000 2.235 717 K HA 0.535 4.858 4.320 0.005 0.000 0.266 717 K C -0.135 176.429 176.600 -0.060 0.000 0.980 717 K CA -0.266 56.009 56.287 -0.020 0.000 0.849 717 K CB 0.858 33.350 32.500 -0.013 0.000 1.098 717 K HN 0.060 nan 8.250 nan 0.000 0.445 718 T N 4.896 119.423 114.554 -0.045 0.000 2.902 718 T HA 0.129 4.482 4.350 0.005 0.000 0.301 718 T C 0.394 175.067 174.700 -0.044 0.000 1.012 718 T CA -0.047 62.022 62.100 -0.052 0.000 1.151 718 T CB 0.164 69.018 68.868 -0.022 0.000 0.946 718 T HN 0.340 nan 8.240 nan 0.000 0.542 719 L N 3.714 124.908 121.223 -0.050 0.000 2.264 719 L HA 0.527 4.870 4.340 0.005 0.000 0.289 719 L C 1.395 178.279 176.870 0.023 0.000 1.044 719 L CA -0.524 54.300 54.840 -0.027 0.000 0.807 719 L CB 0.373 42.398 42.059 -0.057 0.000 1.192 719 L HN 0.989 nan 8.230 nan 0.000 0.425 720 G N 2.373 111.188 108.800 0.024 0.000 2.574 720 G HA2 -0.250 3.713 3.960 0.005 0.000 0.286 720 G HA3 -0.250 3.713 3.960 0.005 0.000 0.286 720 G C -0.197 174.719 174.900 0.026 0.000 1.212 720 G CA 0.298 45.421 45.100 0.039 0.000 0.979 720 G HN 0.899 nan 8.290 nan 0.000 0.557 721 K N 0.070 120.486 120.400 0.026 0.000 2.340 721 K HA 0.786 5.109 4.320 0.005 0.000 0.244 721 K C 0.315 176.917 176.600 0.003 0.000 0.973 721 K CA 0.028 56.319 56.287 0.008 0.000 0.828 721 K CB 0.931 nan 32.500 nan 0.000 1.226 721 K HN 0.863 nan 8.250 nan 0.000 0.437 722 K N 1.193 121.589 120.400 -0.006 0.000 2.511 722 K HA 0.099 4.422 4.320 0.005 0.000 0.280 722 K C -0.238 176.331 176.600 -0.053 0.000 1.008 722 K CA 0.336 56.610 56.287 -0.022 0.000 1.050 722 K CB -0.188 32.302 32.500 -0.017 0.000 0.889 722 K HN 0.519 nan 8.250 nan 0.000 0.484 723 I N 3.509 124.024 120.570 -0.092 0.000 2.365 723 I HA 0.065 4.237 4.170 0.005 0.000 0.291 723 I C 0.269 176.278 176.117 -0.179 0.000 1.004 723 I CA -0.336 60.872 61.300 -0.153 0.000 1.311 723 I CB 1.089 38.938 38.000 -0.251 0.000 1.401 723 I HN 0.296 nan 8.210 nan 0.000 0.491 724 Q N 6.207 125.902 119.800 -0.175 0.000 2.310 724 Q HA 0.486 4.829 4.340 0.005 0.000 0.270 724 Q C -1.254 174.558 176.000 -0.314 0.000 1.025 724 Q CA -0.702 54.931 55.803 -0.283 0.000 0.772 724 Q CB 2.959 31.555 28.738 -0.237 0.000 1.253 724 Q HN 0.434 nan 8.270 nan 0.000 0.450 725 V N 3.189 122.880 119.914 -0.372 0.000 2.325 725 V HA 0.337 4.460 4.120 0.005 0.000 0.280 725 V C 0.001 175.933 176.094 -0.271 0.000 1.016 725 V CA -0.779 61.386 62.300 -0.226 0.000 0.818 725 V CB 0.708 32.481 31.823 -0.083 0.000 1.019 725 V HN 0.671 nan 8.190 nan 0.000 0.434 726 H N 1.943 121.007 119.070 -0.010 0.000 2.530 726 H HA 0.432 4.991 4.556 0.004 0.000 0.342 726 H C 0.918 176.241 175.328 -0.007 0.000 1.312 726 H CA 0.087 56.129 56.048 -0.010 0.000 1.376 726 H CB 1.459 31.216 29.762 -0.010 0.000 1.692 726 H HN 0.689 nan 8.280 nan 0.000 0.622 727 S N -0.224 115.562 115.700 0.143 0.000 3.581 727 S HA -0.168 4.305 4.470 0.005 0.000 0.354 727 S C 0.168 174.791 174.600 0.038 0.000 1.059 727 S CA 0.085 58.326 58.200 0.068 0.000 1.060 727 S CB -1.860 61.371 63.200 0.053 0.000 0.908 727 S HN 0.343 nan 8.310 nan 0.000 0.475 728 L N 1.135 122.377 121.223 0.031 0.000 2.292 728 L HA 0.467 4.810 4.340 0.005 0.000 0.284 728 L C 0.660 177.537 176.870 0.011 0.000 1.065 728 L CA -0.051 54.796 54.840 0.012 0.000 0.806 728 L CB 1.007 43.065 42.059 -0.002 0.000 1.175 728 L HN 0.291 nan 8.230 nan 0.000 0.431 729 E N 2.326 122.530 120.200 0.007 0.000 2.191 729 E HA 0.452 4.805 4.350 0.005 0.000 0.274 729 E C -1.421 175.183 176.600 0.007 0.000 0.948 729 E CA -0.685 55.720 56.400 0.008 0.000 0.802 729 E CB 2.155 31.860 29.700 0.008 0.000 1.137 729 E HN 0.317 nan 8.360 nan 0.000 0.397 730 V N 5.465 125.384 119.914 0.009 0.000 2.276 730 V HA 0.266 4.389 4.120 0.005 0.000 0.268 730 V C -2.350 173.753 176.094 0.015 0.000 1.032 730 V CA -1.845 60.463 62.300 0.013 0.000 0.810 730 V CB 0.512 32.342 31.823 0.013 0.000 1.060 730 V HN 0.642 nan 8.190 nan 0.000 0.446 731 P HA 0.082 nan 4.420 nan 0.000 0.266 731 P C 0.329 177.641 177.300 0.021 0.000 1.193 731 P CA 0.314 63.423 63.100 0.016 0.000 0.770 731 P CB 0.562 32.273 31.700 0.018 0.000 0.836 732 A N 3.430 126.257 122.820 0.011 0.000 2.584 732 A HA -0.048 4.275 4.320 0.005 0.000 0.239 732 A C 0.759 178.368 177.584 0.041 0.000 1.043 732 A CA 0.244 52.288 52.037 0.012 0.000 0.756 732 A CB -1.049 17.933 19.000 -0.031 0.000 0.963 732 A HN 0.738 nan 8.150 nan 0.000 0.511 733 N N 0.019 118.768 118.700 0.081 0.000 2.727 733 N HA -0.152 4.591 4.740 0.005 0.000 0.251 733 N C 0.026 175.586 175.510 0.083 0.000 1.040 733 N CA 1.627 54.750 53.050 0.121 0.000 0.712 733 N CB -1.430 37.156 38.487 0.165 0.000 0.912 733 N HN 1.322 nan 8.380 nan 0.000 0.545 734 T N -4.053 110.535 114.554 0.057 0.000 2.883 734 T HA 0.639 4.992 4.350 0.005 0.000 0.301 734 T C -0.449 174.274 174.700 0.038 0.000 1.158 734 T CA -0.716 61.414 62.100 0.049 0.000 1.007 734 T CB 2.629 71.526 68.868 0.048 0.000 1.186 734 T HN 0.066 nan 8.240 nan 0.000 0.499 735 S N 1.112 116.845 115.700 0.055 0.000 2.596 735 S HA 0.638 5.111 4.470 0.005 0.000 0.318 735 S C -1.208 173.498 174.600 0.176 0.000 1.097 735 S CA -0.794 57.462 58.200 0.093 0.000 1.080 735 S CB 0.091 63.315 63.200 0.039 0.000 0.991 735 S HN 0.686 nan 8.310 nan 0.000 0.471 736 K N 2.760 123.265 120.400 0.176 0.000 2.422 736 K HA 0.393 4.716 4.320 0.005 0.000 0.251 736 K C -0.990 175.528 176.600 -0.136 0.000 0.933 736 K CA -0.613 55.719 56.287 0.074 0.000 0.798 736 K CB 1.508 34.016 32.500 0.014 0.000 1.238 736 K HN 0.618 nan 8.250 nan 0.000 0.428 737 C N 2.490 121.531 119.300 -0.432 0.000 2.435 737 C HA 0.364 4.827 4.460 0.005 0.000 0.375 737 C C 1.483 176.284 174.990 -0.315 0.000 1.281 737 C CA -0.270 58.294 59.018 -0.757 0.000 1.963 737 C CB -1.045 26.174 27.740 -0.869 0.000 2.490 737 C HN 0.655 nan 8.230 nan 0.000 0.557 738 V N 3.212 122.990 119.914 -0.226 0.000 3.398 738 V HA 0.423 4.546 4.120 0.005 0.000 0.298 738 V C -0.408 175.700 176.094 0.023 0.000 1.496 738 V CA -0.058 62.194 62.300 -0.080 0.000 1.044 738 V CB -0.722 31.076 31.823 -0.042 0.000 0.880 738 V HN 0.811 nan 8.190 nan 0.000 0.443 739 Y N 0.675 120.880 120.300 -0.158 0.000 2.424 739 Y HA 0.716 5.268 4.550 0.004 0.000 0.323 739 Y C -0.814 175.028 175.900 -0.095 0.000 1.174 739 Y CA -0.984 57.047 58.100 -0.115 0.000 1.060 739 Y CB 1.567 39.971 38.460 -0.094 0.000 1.314 739 Y HN 0.270 nan 8.280 nan 0.000 0.439 740 R N 4.103 124.194 120.500 -0.682 0.000 2.621 740 R HA 0.948 5.291 4.340 0.005 0.000 0.284 740 R C -1.981 173.940 176.300 -0.631 0.000 0.998 740 R CA -0.740 55.098 56.100 -0.438 0.000 0.895 740 R CB 1.806 31.968 30.300 -0.230 0.000 1.195 740 R HN 0.792 nan 8.270 nan 0.000 0.450 741 A N 3.963 126.634 122.820 -0.248 0.000 2.456 741 A HA 0.326 4.649 4.320 0.005 0.000 0.288 741 A C -1.105 176.572 177.584 0.155 0.000 1.042 741 A CA -0.807 51.170 52.037 -0.099 0.000 0.738 741 A CB 1.220 20.140 19.000 -0.132 0.000 1.266 741 A HN 0.731 nan 8.150 nan 0.000 0.407 742 K N 1.501 121.962 120.400 0.101 0.000 2.561 742 K HA 0.044 4.367 4.320 0.005 0.000 0.280 742 K C 0.612 177.370 176.600 0.262 0.000 0.975 742 K CA 0.201 56.573 56.287 0.142 0.000 1.024 742 K CB 0.305 32.855 32.500 0.082 0.000 0.883 742 K HN 0.683 nan 8.250 nan 0.000 0.496 743 L N 1.297 122.635 121.223 0.192 0.000 2.270 743 L HA -0.050 4.293 4.340 0.005 0.000 0.210 743 L C 0.702 177.621 176.870 0.082 0.000 1.104 743 L CA 0.248 55.161 54.840 0.121 0.000 0.804 743 L CB -0.158 41.883 42.059 -0.030 0.000 0.937 743 L HN 0.644 nan 8.230 nan 0.000 0.450 744 D N 0.284 120.727 120.400 0.072 0.000 2.401 744 D HA 0.298 4.941 4.640 0.005 0.000 0.254 744 D C 1.057 177.402 176.300 0.075 0.000 1.192 744 D CA 1.264 55.292 54.000 0.048 0.000 0.885 744 D CB 0.853 41.672 40.800 0.031 0.000 1.147 744 D HN 0.297 nan 8.370 nan 0.000 0.478 745 G N 3.278 112.116 108.800 0.065 0.000 2.195 745 G HA2 -0.306 3.657 3.960 0.005 0.000 0.246 745 G HA3 -0.306 3.657 3.960 0.005 0.000 0.246 745 G C 0.668 175.658 174.900 0.151 0.000 0.984 745 G CA 0.422 45.569 45.100 0.078 0.000 0.633 745 G HN 0.543 nan 8.290 nan 0.000 0.525 746 W N 0.674 121.941 121.300 -0.055 0.000 2.922 746 W HA 0.665 5.328 4.660 0.005 0.000 0.260 746 W C 0.458 176.911 176.519 -0.109 0.000 1.088 746 W CA 0.852 58.157 57.345 -0.066 0.000 1.694 746 W CB -0.014 29.415 29.460 -0.052 0.000 1.064 746 W HN 0.164 nan 8.180 nan 0.000 0.611 747 L N 1.093 122.209 121.223 -0.179 0.000 2.350 747 L HA 0.482 4.825 4.340 0.005 0.000 0.260 747 L C 0.390 177.124 176.870 -0.226 0.000 1.015 747 L CA -0.811 53.811 54.840 -0.363 0.000 0.821 747 L CB 2.034 43.612 42.059 -0.801 0.000 1.370 747 L HN -0.185 nan 8.230 nan 0.000 0.416 748 T N -3.183 111.253 114.554 -0.196 0.000 2.944 748 T HA 0.413 4.766 4.350 0.005 0.000 0.284 748 T C -2.209 172.407 174.700 -0.140 0.000 1.010 748 T CA -2.003 60.019 62.100 -0.130 0.000 1.025 748 T CB 1.735 70.548 68.868 -0.092 0.000 1.079 748 T HN 0.282 nan 8.240 nan 0.000 0.516 749 P HA -0.122 nan 4.420 nan 0.000 0.217 749 P C 1.588 178.842 177.300 -0.077 0.000 1.148 749 P CA 1.174 64.228 63.100 -0.076 0.000 0.828 749 P CB -0.089 31.583 31.700 -0.047 0.000 0.783 750 E N -1.629 118.522 120.200 -0.081 0.000 2.285 750 E HA -0.108 4.244 4.350 0.005 0.000 0.194 750 E C 1.476 178.005 176.600 -0.119 0.000 0.997 750 E CA 0.959 57.311 56.400 -0.080 0.000 0.845 750 E CB -1.663 27.998 29.700 -0.065 0.000 0.782 750 E HN 0.367 nan 8.360 nan 0.000 0.491 751 D N 0.387 120.695 120.400 -0.155 0.000 2.149 751 D HA -0.018 4.625 4.640 0.005 0.000 0.201 751 D C 1.955 178.129 176.300 -0.210 0.000 0.972 751 D CA 1.303 55.178 54.000 -0.210 0.000 0.835 751 D CB -0.589 40.055 40.800 -0.260 0.000 0.966 751 D HN 0.405 nan 8.370 nan 0.000 0.476 752 C N 0.989 120.170 119.300 -0.198 0.000 2.419 752 C HA -0.084 4.379 4.460 0.005 0.000 0.281 752 C C 2.271 177.320 174.990 0.099 0.000 1.336 752 C CA 0.585 59.555 59.018 -0.080 0.000 1.770 752 C CB -0.868 26.812 27.740 -0.100 0.000 1.929 752 C HN 0.406 nan 8.230 nan 0.000 0.509 753 R N 0.060 120.572 120.500 0.020 0.000 2.334 753 R HA 0.205 4.548 4.340 0.005 0.000 0.216 753 R C 1.402 177.692 176.300 -0.017 0.000 0.905 753 R CA 0.308 56.453 56.100 0.074 0.000 1.064 753 R CB -0.221 30.108 30.300 0.048 0.000 1.046 753 R HN 0.400 nan 8.270 nan 0.000 0.508 754 R N 0.580 120.914 120.500 -0.277 0.000 2.549 754 R HA 0.199 4.542 4.340 0.005 0.000 0.344 754 R C -0.532 175.013 176.300 -1.258 0.000 0.979 754 R CA 0.182 55.785 56.100 -0.829 0.000 1.140 754 R CB 1.453 31.488 30.300 -0.441 0.000 1.377 754 R HN 0.292 nan 8.270 nan 0.000 0.541 755 S N -0.180 115.188 115.700 -0.554 0.000 2.671 755 S HA 0.713 5.186 4.470 0.005 0.000 0.277 755 S C -0.883 173.918 174.600 0.334 0.000 1.165 755 S CA -0.991 57.123 58.200 -0.144 0.000 0.822 755 S CB 1.576 64.666 63.200 -0.184 0.000 1.150 755 S HN 0.180 nan 8.310 nan 0.000 0.479 756 F N -0.894 119.139 119.950 0.138 0.000 2.613 756 F HA 0.832 5.362 4.527 0.005 0.000 0.310 756 F C -1.476 174.269 175.800 -0.090 0.000 1.085 756 F CA -1.402 56.474 58.000 -0.207 0.000 0.945 756 F CB 0.962 39.505 39.000 -0.762 0.000 1.298 756 F HN 0.600 nan 8.300 nan 0.000 0.455 757 L N 3.177 124.385 121.223 -0.026 0.000 2.290 757 L HA 0.465 4.808 4.340 0.005 0.000 0.284 757 L C -0.387 176.574 176.870 0.151 0.000 1.078 757 L CA -0.175 54.727 54.840 0.104 0.000 0.815 757 L CB 0.962 43.090 42.059 0.114 0.000 1.162 757 L HN 0.782 nan 8.230 nan 0.000 0.435 758 K N 4.438 124.936 120.400 0.163 0.000 2.213 758 K HA 0.672 4.995 4.320 0.005 0.000 0.270 758 K C -1.579 175.061 176.600 0.067 0.000 1.002 758 K CA -0.510 55.869 56.287 0.154 0.000 0.868 758 K CB 0.774 33.390 32.500 0.192 0.000 1.093 758 K HN 0.519 nan 8.250 nan 0.000 0.454 759 L N 5.354 126.598 121.223 0.035 0.000 2.386 759 L HA 0.585 4.928 4.340 0.005 0.000 0.271 759 L C -0.728 176.134 176.870 -0.013 0.000 0.993 759 L CA -0.469 54.368 54.840 -0.006 0.000 0.819 759 L CB 1.798 43.846 42.059 -0.018 0.000 1.294 759 L HN 0.572 nan 8.230 nan 0.000 0.414 760 I N 2.875 123.426 120.570 -0.032 0.000 2.686 760 I HA 0.466 4.639 4.170 0.005 0.000 0.295 760 I C -1.456 174.631 176.117 -0.050 0.000 1.114 760 I CA -0.724 60.556 61.300 -0.034 0.000 1.038 760 I CB 2.702 40.688 38.000 -0.023 0.000 1.238 760 I HN 0.362 nan 8.210 nan 0.000 0.420 761 L N 6.585 127.777 121.223 -0.051 0.000 2.333 761 L HA 0.556 4.899 4.340 0.005 0.000 0.280 761 L C -1.191 175.640 176.870 -0.066 0.000 1.004 761 L CA -0.086 54.721 54.840 -0.055 0.000 0.820 761 L CB 0.998 43.029 42.059 -0.047 0.000 1.247 761 L HN 0.440 nan 8.230 nan 0.000 0.416 762 K N 2.997 123.367 120.400 -0.049 0.000 2.316 762 K HA 0.469 4.792 4.320 0.005 0.000 0.251 762 K C -0.985 175.606 176.600 -0.015 0.000 0.934 762 K CA -0.967 55.293 56.287 -0.045 0.000 0.802 762 K CB 1.778 34.274 32.500 -0.007 0.000 1.171 762 K HN 0.693 nan 8.250 nan 0.000 0.426 763 D N 1.287 121.680 120.400 -0.012 0.000 2.314 763 D HA -0.039 4.604 4.640 0.005 0.000 0.252 763 D C 1.054 177.384 176.300 0.049 0.000 1.295 763 D CA -0.259 53.758 54.000 0.028 0.000 0.995 763 D CB 0.520 41.353 40.800 0.055 0.000 1.125 763 D HN 0.133 nan 8.370 nan 0.000 0.537 764 K N -0.436 119.993 120.400 0.049 0.000 2.032 764 K HA -0.171 4.152 4.320 0.005 0.000 0.218 764 K C 1.950 178.576 176.600 0.044 0.000 1.054 764 K CA 2.137 58.449 56.287 0.042 0.000 0.941 764 K CB -1.103 31.416 32.500 0.032 0.000 0.720 764 K HN 0.637 nan 8.250 nan 0.000 0.449 765 S N -0.950 114.782 115.700 0.054 0.000 2.720 765 S HA 0.184 4.657 4.470 0.005 0.000 0.222 765 S C 1.141 175.782 174.600 0.067 0.000 0.958 765 S CA 0.649 58.880 58.200 0.052 0.000 0.943 765 S CB -0.043 63.185 63.200 0.047 0.000 0.779 765 S HN 0.485 nan 8.310 nan 0.000 0.526 766 G N 1.213 110.057 108.800 0.074 0.000 2.143 766 G HA2 -0.298 3.665 3.960 0.005 0.000 0.249 766 G HA3 -0.298 3.665 3.960 0.005 0.000 0.249 766 G C -0.087 174.872 174.900 0.099 0.000 0.981 766 G CA 0.216 45.358 45.100 0.071 0.000 0.665 766 G HN 0.876 nan 8.290 nan 0.000 0.528 767 H N 0.779 119.858 119.070 0.014 0.000 2.690 767 H HA 0.545 5.104 4.556 0.004 0.000 0.314 767 H C 0.546 175.882 175.328 0.012 0.000 1.069 767 H CA 0.135 56.190 56.048 0.012 0.000 1.436 767 H CB 0.686 30.454 29.762 0.010 0.000 1.462 767 H HN 0.422 nan 8.280 nan 0.000 0.511 768 Q N 4.085 123.737 119.800 -0.247 0.000 2.297 768 Q HA 0.187 4.530 4.340 0.005 0.000 0.267 768 Q C 0.574 176.302 176.000 -0.453 0.000 1.006 768 Q CA 0.081 55.727 55.803 -0.261 0.000 0.896 768 Q CB 0.711 29.390 28.738 -0.099 0.000 1.186 768 Q HN 0.740 nan 8.270 nan 0.000 0.392 769 V N 1.057 120.799 119.914 -0.286 0.000 3.645 769 V HA 0.671 4.794 4.120 0.005 0.000 0.275 769 V C -0.077 175.960 176.094 -0.095 0.000 1.356 769 V CA 0.768 62.944 62.300 -0.207 0.000 1.051 769 V CB 0.430 32.159 31.823 -0.157 0.000 0.828 769 V HN 0.667 nan 8.190 nan 0.000 0.441 770 A N 0.743 123.517 122.820 -0.077 0.000 2.608 770 A HA 0.815 5.138 4.320 0.005 0.000 0.292 770 A C -1.134 176.429 177.584 -0.035 0.000 1.066 770 A CA -0.186 51.826 52.037 -0.041 0.000 0.676 770 A CB 1.471 20.454 19.000 -0.028 0.000 1.277 770 A HN 0.760 nan 8.150 nan 0.000 0.413 771 E N -0.193 119.995 120.200 -0.021 0.000 2.392 771 E HA 0.745 5.098 4.350 0.005 0.000 0.279 771 E C -0.850 175.746 176.600 -0.007 0.000 0.964 771 E CA -0.730 55.662 56.400 -0.015 0.000 0.777 771 E CB 1.945 31.637 29.700 -0.013 0.000 1.249 771 E HN 0.779 nan 8.360 nan 0.000 0.449 772 S N 0.750 116.449 115.700 -0.001 0.000 2.569 772 S HA 0.646 5.119 4.470 0.005 0.000 0.280 772 S C -1.477 173.128 174.600 0.009 0.000 1.111 772 S CA -0.621 57.582 58.200 0.006 0.000 0.887 772 S CB 1.745 64.950 63.200 0.009 0.000 1.095 772 S HN 0.446 nan 8.310 nan 0.000 0.476 773 V N 3.361 123.275 119.914 -0.000 0.000 2.604 773 V HA 0.535 4.658 4.120 0.005 0.000 0.305 773 V C -0.853 175.221 176.094 -0.035 0.000 1.043 773 V CA -0.665 61.605 62.300 -0.051 0.000 0.888 773 V CB 1.522 33.248 31.823 -0.161 0.000 0.995 773 V HN 0.987 nan 8.190 nan 0.000 0.429 774 H N 3.537 122.453 119.070 -0.256 0.000 2.529 774 H HA 0.678 5.237 4.556 0.005 0.000 0.348 774 H C -1.588 173.380 175.328 -0.600 0.000 1.079 774 H CA -0.565 55.298 56.048 -0.309 0.000 1.198 774 H CB 1.297 30.887 29.762 -0.287 0.000 1.521 774 H HN 0.448 nan 8.280 nan 0.000 0.514 775 F N 4.574 124.032 119.950 -0.819 0.000 2.450 775 F HA 0.246 4.776 4.527 0.005 0.000 0.332 775 F C 0.131 175.394 175.800 -0.896 0.000 1.093 775 F CA -0.615 57.001 58.000 -0.640 0.000 1.003 775 F CB 1.012 39.850 39.000 -0.270 0.000 1.151 775 F HN 0.577 nan 8.300 nan 0.000 0.474 776 F N 0.581 120.482 119.950 -0.082 0.000 2.754 776 F HA 0.247 4.777 4.527 0.005 0.000 0.297 776 F C 0.929 176.718 175.800 -0.017 0.000 1.122 776 F CA 0.159 58.123 58.000 -0.060 0.000 1.400 776 F CB -0.036 38.939 39.000 -0.042 0.000 1.117 776 F HN 0.142 nan 8.300 nan 0.000 0.587 777 R N 0.297 120.883 120.500 0.143 0.000 2.854 777 R HA 0.359 4.702 4.340 0.005 0.000 0.271 777 R C -0.362 175.920 176.300 -0.030 0.000 0.994 777 R CA -1.130 55.009 56.100 0.065 0.000 0.945 777 R CB 1.085 31.436 30.300 0.085 0.000 1.194 777 R HN -0.021 nan 8.270 nan 0.000 0.476 778 K N 0.466 120.815 120.400 -0.085 0.000 2.448 778 K HA 0.012 4.335 4.320 0.005 0.000 0.278 778 K C 0.937 177.391 176.600 -0.244 0.000 1.009 778 K CA 0.289 56.461 56.287 -0.193 0.000 0.995 778 K CB 0.442 32.831 32.500 -0.187 0.000 0.917 778 K HN 0.433 nan 8.250 nan 0.000 0.481 779 T N 2.884 117.191 114.554 -0.413 0.000 2.685 779 T HA -0.242 4.111 4.350 0.005 0.000 0.268 779 T C 1.612 176.155 174.700 -0.261 0.000 1.034 779 T CA 2.000 63.857 62.100 -0.405 0.000 1.149 779 T CB -0.141 68.363 68.868 -0.606 0.000 0.860 779 T HN 0.660 nan 8.240 nan 0.000 0.449 780 K N 0.985 121.200 120.400 -0.308 0.000 2.280 780 K HA -0.105 4.218 4.320 0.005 0.000 0.202 780 K C 1.233 177.754 176.600 -0.131 0.000 1.047 780 K CA 1.653 57.812 56.287 -0.213 0.000 0.942 780 K CB -0.036 32.340 32.500 -0.207 0.000 0.739 780 K HN 0.218 nan 8.250 nan 0.000 0.457 781 D N 1.040 121.381 120.400 -0.099 0.000 2.349 781 D HA 0.083 4.726 4.640 0.005 0.000 0.215 781 D C 0.404 176.723 176.300 0.032 0.000 1.016 781 D CA 0.214 54.193 54.000 -0.035 0.000 0.870 781 D CB 0.074 40.855 40.800 -0.031 0.000 0.917 781 D HN 0.206 nan 8.370 nan 0.000 0.524 782 L N 1.216 122.476 121.223 0.061 0.000 2.416 782 L HA 0.101 4.444 4.340 0.005 0.000 0.272 782 L C 0.888 177.902 176.870 0.241 0.000 1.161 782 L CA 0.060 55.022 54.840 0.204 0.000 0.845 782 L CB 0.480 42.662 42.059 0.205 0.000 1.119 782 L HN -0.307 nan 8.230 nan 0.000 0.464 783 Q N 4.067 124.050 119.800 0.305 0.000 3.027 783 Q HA 0.269 4.612 4.340 0.005 0.000 0.260 783 Q C -0.844 175.403 176.000 0.411 0.000 1.379 783 Q CA -0.248 55.713 55.803 0.264 0.000 1.038 783 Q CB 0.164 28.985 28.738 0.138 0.000 1.578 783 Q HN 0.491 nan 8.270 nan 0.000 0.571 784 L N 4.409 125.833 121.223 0.336 0.000 2.361 784 L HA 0.249 4.592 4.340 0.005 0.000 0.278 784 L C -1.843 175.137 176.870 0.185 0.000 1.113 784 L CA -1.778 53.206 54.840 0.240 0.000 0.849 784 L CB 0.035 42.148 42.059 0.091 0.000 1.155 784 L HN 0.229 nan 8.230 nan 0.000 0.452 785 P HA 0.180 nan 4.420 nan 0.000 0.276 785 P C -2.602 174.735 177.300 0.062 0.000 1.230 785 P CA -1.777 61.396 63.100 0.121 0.000 0.776 785 P CB 0.257 32.039 31.700 0.138 0.000 0.888 786 P HA 0.103 nan 4.420 nan 0.000 0.261 786 P C 0.004 177.324 177.300 0.032 0.000 1.203 786 P CA 0.881 63.996 63.100 0.025 0.000 0.767 786 P CB 0.133 31.836 31.700 0.006 0.000 0.785 787 T N 1.819 116.408 114.554 0.058 0.000 2.865 787 T HA 0.563 4.916 4.350 0.005 0.000 0.294 787 T C -1.056 173.669 174.700 0.041 0.000 1.119 787 T CA -0.541 61.558 62.100 -0.002 0.000 1.007 787 T CB 1.060 69.864 68.868 -0.107 0.000 1.225 787 T HN 0.027 nan 8.240 nan 0.000 0.515 788 S N 1.301 116.992 115.700 -0.016 0.000 2.519 788 S HA 0.616 5.089 4.470 0.005 0.000 0.309 788 S C -0.835 173.742 174.600 -0.040 0.000 1.100 788 S CA -0.551 57.659 58.200 0.017 0.000 1.059 788 S CB 0.814 64.022 63.200 0.013 0.000 1.008 788 S HN 0.585 nan 8.310 nan 0.000 0.478 789 V N 5.380 125.290 119.914 -0.008 0.000 2.389 789 V HA 0.368 4.491 4.120 0.005 0.000 0.264 789 V C 0.515 176.657 176.094 0.079 0.000 1.049 789 V CA -0.488 61.800 62.300 -0.020 0.000 0.932 789 V CB 0.568 32.369 31.823 -0.037 0.000 1.011 789 V HN 0.908 nan 8.190 nan 0.000 0.475 790 S N 5.690 121.443 115.700 0.088 0.000 2.565 790 S HA 0.831 5.304 4.470 0.005 0.000 0.290 790 S C -0.796 173.918 174.600 0.190 0.000 1.150 790 S CA -0.638 57.622 58.200 0.100 0.000 1.058 790 S CB 1.450 64.691 63.200 0.069 0.000 1.032 790 S HN 0.731 nan 8.310 nan 0.000 0.510 791 Y N -0.639 119.680 120.300 0.032 0.000 2.605 791 Y HA 0.764 5.317 4.550 0.005 0.000 0.343 791 Y C -0.796 175.114 175.900 0.018 0.000 1.036 791 Y CA -1.301 56.816 58.100 0.029 0.000 1.065 791 Y CB 1.152 39.616 38.460 0.007 0.000 1.288 791 Y HN 0.644 nan 8.280 nan 0.000 0.481 792 Q N 2.104 122.001 119.800 0.161 0.000 2.356 792 Q HA 0.538 4.881 4.340 0.005 0.000 0.270 792 Q C -1.570 174.524 176.000 0.156 0.000 1.058 792 Q CA -1.041 54.807 55.803 0.075 0.000 0.802 792 Q CB 3.214 31.973 28.738 0.034 0.000 1.303 792 Q HN 0.842 nan 8.270 nan 0.000 0.444 793 M N 2.116 121.787 119.600 0.119 0.000 2.383 793 M HA 0.371 4.854 4.480 0.005 0.000 0.325 793 M C -1.276 175.051 176.300 0.045 0.000 1.092 793 M CA -0.325 55.040 55.300 0.107 0.000 0.961 793 M CB 1.144 33.826 32.600 0.136 0.000 1.672 793 M HN 0.286 nan 8.290 nan 0.000 0.438 794 K N 4.509 124.925 120.400 0.028 0.000 2.624 794 K HA 0.258 4.581 4.320 0.005 0.000 0.200 794 K C -1.376 175.223 176.600 -0.002 0.000 1.036 794 K CA -0.236 56.056 56.287 0.009 0.000 1.029 794 K CB 1.073 33.576 32.500 0.006 0.000 1.317 794 K HN 0.830 nan 8.250 nan 0.000 0.555 795 Q N 2.334 122.132 119.800 -0.003 0.000 2.279 795 Q HA 0.155 4.498 4.340 0.005 0.000 0.256 795 Q C -0.266 175.725 176.000 -0.015 0.000 0.937 795 Q CA 0.072 55.867 55.803 -0.014 0.000 0.933 795 Q CB 1.026 29.756 28.738 -0.012 0.000 1.189 795 Q HN 0.698 nan 8.270 nan 0.000 0.417 796 T N -0.382 114.159 114.554 -0.021 0.000 2.598 796 T HA 0.346 4.698 4.350 0.005 0.000 0.254 796 T C -0.576 174.111 174.700 -0.022 0.000 0.889 796 T CA -0.944 61.145 62.100 -0.019 0.000 1.091 796 T CB 0.561 69.419 68.868 -0.017 0.000 1.437 796 T HN 0.386 nan 8.240 nan 0.000 0.542 797 D N 0.685 121.073 120.400 -0.019 0.000 2.317 797 D HA 0.442 5.085 4.640 0.005 0.000 0.252 797 D C 1.386 177.670 176.300 -0.025 0.000 1.174 797 D CA 1.266 55.254 54.000 -0.020 0.000 0.866 797 D CB 0.697 41.489 40.800 -0.014 0.000 1.127 797 D HN 1.079 nan 8.370 nan 0.000 0.467 798 G N 2.920 111.701 108.800 -0.031 0.000 2.166 798 G HA2 -0.319 3.643 3.960 0.005 0.000 0.260 798 G HA3 -0.319 3.643 3.960 0.005 0.000 0.260 798 G C 0.504 175.371 174.900 -0.054 0.000 0.986 798 G CA 0.945 46.021 45.100 -0.040 0.000 0.683 798 G HN 0.551 nan 8.290 nan 0.000 0.527 799 K N -1.263 119.105 120.400 -0.053 0.000 2.469 799 K HA 0.669 4.992 4.320 0.005 0.000 0.254 799 K C -1.447 175.115 176.600 -0.064 0.000 0.939 799 K CA -0.704 55.547 56.287 -0.061 0.000 0.812 799 K CB 1.962 34.435 32.500 -0.044 0.000 1.301 799 K HN 0.270 nan 8.250 nan 0.000 0.433 800 C N 3.066 122.319 119.300 -0.078 0.000 2.679 800 C HA 0.316 4.779 4.460 0.005 0.000 0.354 800 C C -1.322 173.632 174.990 -0.060 0.000 1.067 800 C CA -0.538 58.437 59.018 -0.071 0.000 1.317 800 C CB 0.738 28.416 27.740 -0.104 0.000 1.843 800 C HN 0.897 nan 8.230 nan 0.000 0.459 801 E N 4.397 124.579 120.200 -0.030 0.000 2.089 801 E HA 0.492 4.845 4.350 0.005 0.000 0.284 801 E C -0.772 175.834 176.600 0.011 0.000 1.023 801 E CA -0.009 56.383 56.400 -0.012 0.000 0.819 801 E CB 0.835 30.531 29.700 -0.007 0.000 1.076 801 E HN 0.576 nan 8.360 nan 0.000 0.396 802 L N 2.827 124.060 121.223 0.017 0.000 2.317 802 L HA 0.470 4.813 4.340 0.005 0.000 0.281 802 L C -0.096 176.816 176.870 0.070 0.000 1.024 802 L CA -0.750 54.123 54.840 0.054 0.000 0.810 802 L CB 1.727 43.795 42.059 0.015 0.000 1.240 802 L HN 0.418 nan 8.230 nan 0.000 0.427 803 T N 3.939 118.554 114.554 0.102 0.000 2.786 803 T HA 0.606 4.959 4.350 0.005 0.000 0.283 803 T C -0.374 174.418 174.700 0.153 0.000 0.992 803 T CA -0.443 61.717 62.100 0.099 0.000 0.954 803 T CB 1.412 70.322 68.868 0.070 0.000 0.934 803 T HN 0.134 nan 8.240 nan 0.000 0.440 804 L N 3.803 125.121 121.223 0.158 0.000 2.317 804 L HA 0.731 5.074 4.340 0.005 0.000 0.281 804 L C -0.683 176.324 176.870 0.228 0.000 1.024 804 L CA -0.656 54.297 54.840 0.189 0.000 0.810 804 L CB 1.199 43.353 42.059 0.159 0.000 1.240 804 L HN 0.634 nan 8.230 nan 0.000 0.427 805 F N 1.877 121.860 119.950 0.055 0.000 2.578 805 F HA 0.751 5.281 4.527 0.005 0.000 0.311 805 F C -0.600 175.210 175.800 0.016 0.000 1.094 805 F CA -0.313 57.706 58.000 0.032 0.000 0.923 805 F CB 2.143 41.156 39.000 0.022 0.000 1.230 805 F HN 0.356 nan 8.300 nan 0.000 0.450 806 S N 2.620 117.736 115.700 -0.972 0.000 2.614 806 S HA 0.345 4.818 4.470 0.005 0.000 0.275 806 S C 0.386 174.343 174.600 -1.072 0.000 1.161 806 S CA -0.022 57.654 58.200 -0.873 0.000 0.969 806 S CB 1.270 64.217 63.200 -0.423 0.000 1.059 806 S HN 0.898 nan 8.310 nan 0.000 0.482 807 S N 4.783 119.993 115.700 -0.816 0.000 2.383 807 S HA -0.016 4.457 4.470 0.005 0.000 0.229 807 S C 0.819 175.321 174.600 -0.162 0.000 1.030 807 S CA 0.956 58.955 58.200 -0.336 0.000 1.002 807 S CB -0.511 62.664 63.200 -0.042 0.000 0.829 807 S HN 0.708 nan 8.310 nan 0.000 0.467 808 M N 0.674 120.181 119.600 -0.155 0.000 2.644 808 M HA 0.487 4.970 4.480 0.005 0.000 0.316 808 M C -0.657 175.587 176.300 -0.094 0.000 1.200 808 M CA -1.066 54.205 55.300 -0.048 0.000 0.944 808 M CB 1.619 34.216 32.600 -0.005 0.000 1.691 808 M HN 0.140 nan 8.290 nan 0.000 0.471 809 L N 2.276 123.494 121.223 -0.009 0.000 2.601 809 L HA 0.201 4.544 4.340 0.005 0.000 0.277 809 L C -0.431 176.290 176.870 -0.249 0.000 1.219 809 L CA 0.625 55.397 54.840 -0.113 0.000 0.915 809 L CB 0.119 42.091 42.059 -0.145 0.000 1.160 809 L HN 0.752 nan 8.230 nan 0.000 0.494 810 A N 5.287 127.923 122.820 -0.306 0.000 2.304 810 A HA 0.565 4.888 4.320 0.005 0.000 0.314 810 A C -0.570 176.841 177.584 -0.289 0.000 1.187 810 A CA -0.821 50.943 52.037 -0.456 0.000 0.810 810 A CB 0.832 19.426 19.000 -0.676 0.000 1.183 810 A HN 0.639 nan 8.150 nan 0.000 0.487 811 K N 2.381 122.660 120.400 -0.201 0.000 2.227 811 K HA 0.324 4.647 4.320 0.005 0.000 0.280 811 K C -0.468 176.091 176.600 -0.069 0.000 1.041 811 K CA 0.094 56.273 56.287 -0.181 0.000 0.905 811 K CB 0.204 32.580 32.500 -0.207 0.000 1.068 811 K HN 0.673 nan 8.250 nan 0.000 0.470 812 D N 3.028 123.365 120.400 -0.106 0.000 2.697 812 D HA -0.236 4.407 4.640 0.005 0.000 0.238 812 D C 0.005 176.304 176.300 -0.002 0.000 1.152 812 D CA 1.055 55.032 54.000 -0.040 0.000 0.666 812 D CB -1.221 39.578 40.800 -0.002 0.000 1.037 812 D HN 0.654 nan 8.370 nan 0.000 0.423 813 I N -2.396 118.026 120.570 -0.248 0.000 2.692 813 I HA 0.326 4.499 4.170 0.005 0.000 0.284 813 I C -0.057 175.774 176.117 -0.476 0.000 1.159 813 I CA -0.250 60.846 61.300 -0.340 0.000 1.423 813 I CB 0.505 38.212 38.000 -0.488 0.000 1.380 813 I HN -0.102 nan 8.210 nan 0.000 0.580 814 F N 7.728 127.282 119.950 -0.660 0.000 2.427 814 F HA 0.592 5.122 4.527 0.005 0.000 0.348 814 F C -0.627 174.755 175.800 -0.698 0.000 1.125 814 F CA -2.039 55.404 58.000 -0.928 0.000 0.989 814 F CB 0.981 39.555 39.000 -0.710 0.000 1.165 814 F HN 0.374 nan 8.300 nan 0.000 0.442 815 I N 5.631 125.775 120.570 -0.710 0.000 2.308 815 I HA 0.209 4.382 4.170 0.005 0.000 0.293 815 I C -0.041 175.549 176.117 -0.878 0.000 1.078 815 I CA -0.115 60.798 61.300 -0.645 0.000 1.292 815 I CB 0.658 38.465 38.000 -0.322 0.000 1.423 815 I HN 0.550 nan 8.210 nan 0.000 0.493 816 E N 6.251 125.868 120.200 -0.972 0.000 2.151 816 E HA 0.427 4.780 4.350 0.005 0.000 0.275 816 E C -0.823 175.555 176.600 -0.371 0.000 0.936 816 E CA -0.579 55.279 56.400 -0.904 0.000 0.777 816 E CB 1.268 30.303 29.700 -1.108 0.000 1.108 816 E HN 0.637 nan 8.360 nan 0.000 0.401 817 T N 1.551 116.001 114.554 -0.175 0.000 2.887 817 T HA 0.421 4.774 4.350 0.005 0.000 0.288 817 T C -2.127 172.537 174.700 -0.060 0.000 1.021 817 T CA -1.958 60.081 62.100 -0.102 0.000 1.000 817 T CB 1.661 70.484 68.868 -0.074 0.000 1.034 817 T HN 0.256 nan 8.240 nan 0.000 0.467 818 P HA 0.154 nan 4.420 nan 0.000 0.241 818 P C 0.291 177.574 177.300 -0.028 0.000 1.191 818 P CA -0.289 62.790 63.100 -0.036 0.000 0.771 818 P CB -0.017 31.663 31.700 -0.034 0.000 0.929 819 L N 1.690 122.894 121.223 -0.032 0.000 2.456 819 L HA 0.105 4.448 4.340 0.005 0.000 0.277 819 L C 0.383 177.247 176.870 -0.011 0.000 1.124 819 L CA 0.163 54.983 54.840 -0.032 0.000 0.880 819 L CB -0.629 41.398 42.059 -0.053 0.000 1.192 819 L HN -0.083 nan 8.230 nan 0.000 0.463 820 Q N 3.998 123.784 119.800 -0.023 0.000 2.300 820 Q HA 0.220 4.563 4.340 0.005 0.000 0.280 820 Q C 1.219 177.238 176.000 0.030 0.000 1.033 820 Q CA 0.980 56.775 55.803 -0.012 0.000 0.903 820 Q CB 0.582 29.264 28.738 -0.094 0.000 1.195 820 Q HN 0.969 nan 8.270 nan 0.000 0.386 821 G N 1.906 110.757 108.800 0.085 0.000 2.166 821 G HA2 -0.328 3.635 3.960 0.005 0.000 0.260 821 G HA3 -0.328 3.635 3.960 0.005 0.000 0.260 821 G C 0.407 175.329 174.900 0.038 0.000 0.986 821 G CA 0.282 45.432 45.100 0.084 0.000 0.683 821 G HN 0.927 nan 8.290 nan 0.000 0.527 822 A N -0.010 122.819 122.820 0.015 0.000 2.546 822 A HA 0.543 4.866 4.320 0.005 0.000 0.243 822 A C 0.916 178.443 177.584 -0.095 0.000 1.063 822 A CA 0.621 52.601 52.037 -0.094 0.000 0.757 822 A CB 0.171 19.064 19.000 -0.179 0.000 0.991 822 A HN 0.608 nan 8.150 nan 0.000 0.503 823 R N 0.789 121.171 120.500 -0.196 0.000 2.598 823 R HA 0.577 4.920 4.340 0.005 0.000 0.279 823 R C -1.502 174.638 176.300 -0.267 0.000 0.984 823 R CA -0.233 55.755 56.100 -0.187 0.000 0.999 823 R CB 1.220 31.402 30.300 -0.197 0.000 1.114 823 R HN 0.758 nan 8.270 nan 0.000 0.493 824 Y N -0.767 119.431 120.300 -0.170 0.000 2.477 824 Y HA 0.089 4.641 4.550 0.005 0.000 0.347 824 Y C 1.312 177.181 175.900 -0.052 0.000 0.981 824 Y CA -0.717 57.351 58.100 -0.054 0.000 1.033 824 Y CB 2.341 40.830 38.460 0.049 0.000 1.245 824 Y HN 0.715 nan 8.280 nan 0.000 0.455 825 S N -0.322 115.451 115.700 0.122 0.000 2.383 825 S HA -0.063 4.410 4.470 0.005 0.000 0.227 825 S C 0.108 174.795 174.600 0.144 0.000 1.026 825 S CA 1.376 59.621 58.200 0.076 0.000 0.981 825 S CB 0.124 63.343 63.200 0.031 0.000 0.818 825 S HN 0.726 nan 8.310 nan 0.000 0.472 826 D N -0.401 120.114 120.400 0.191 0.000 2.622 826 D HA 0.635 5.278 4.640 0.005 0.000 0.255 826 D C -1.575 174.783 176.300 0.098 0.000 1.246 826 D CA -0.455 53.650 54.000 0.176 0.000 0.795 826 D CB 1.960 42.748 40.800 -0.019 0.000 1.369 826 D HN 0.103 nan 8.370 nan 0.000 0.425 827 N N 0.124 118.721 118.700 -0.172 0.000 3.545 827 N HA 0.233 4.976 4.740 0.005 0.000 0.227 827 N C -1.333 173.829 175.510 -0.579 0.000 1.380 827 N CA -0.443 52.261 53.050 -0.576 0.000 0.892 827 N CB 0.370 38.169 38.487 -1.147 0.000 1.441 827 N HN 0.418 nan 8.380 nan 0.000 0.497 828 F N -0.059 119.529 119.950 -0.604 0.000 2.969 828 F HA -0.196 4.334 4.527 0.005 0.000 0.273 828 F C -0.488 175.166 175.800 -0.243 0.000 0.986 828 F CA 0.939 58.694 58.000 -0.409 0.000 0.926 828 F CB -1.737 37.061 39.000 -0.337 0.000 0.887 828 F HN 0.362 nan 8.300 nan 0.000 0.816 829 F N -2.137 117.769 119.950 -0.073 0.000 2.620 829 F HA 0.755 5.285 4.527 0.005 0.000 0.320 829 F C -0.260 175.491 175.800 -0.082 0.000 1.069 829 F CA -2.003 55.956 58.000 -0.067 0.000 0.953 829 F CB 0.901 39.852 39.000 -0.081 0.000 1.322 829 F HN -0.173 nan 8.300 nan 0.000 0.479 830 D N 2.424 122.933 120.400 0.181 0.000 2.295 830 D HA 0.234 4.877 4.640 0.005 0.000 0.248 830 D C -0.710 175.692 176.300 0.171 0.000 1.154 830 D CA -0.032 53.999 54.000 0.051 0.000 0.857 830 D CB 2.187 42.979 40.800 -0.013 0.000 1.117 830 D HN 0.494 nan 8.370 nan 0.000 0.468 831 L N 4.037 125.303 121.223 0.070 0.000 2.325 831 L HA 0.188 4.531 4.340 0.005 0.000 0.284 831 L C -0.434 176.404 176.870 -0.053 0.000 1.089 831 L CA -0.175 54.709 54.840 0.072 0.000 0.836 831 L CB 0.125 42.192 42.059 0.014 0.000 1.184 831 L HN 0.218 nan 8.230 nan 0.000 0.444 832 L N 6.899 128.103 121.223 -0.031 0.000 2.418 832 L HA 0.389 4.732 4.340 0.005 0.000 0.265 832 L C -1.793 175.095 176.870 0.030 0.000 1.143 832 L CA -2.067 52.758 54.840 -0.025 0.000 0.809 832 L CB 0.284 42.348 42.059 0.008 0.000 1.124 832 L HN 0.478 nan 8.230 nan 0.000 0.456 833 P HA -0.022 nan 4.420 nan 0.000 0.261 833 P C 0.506 177.846 177.300 0.066 0.000 1.203 833 P CA 0.491 63.636 63.100 0.075 0.000 0.767 833 P CB 0.299 32.108 31.700 0.182 0.000 0.785 834 G N 2.846 111.623 108.800 -0.038 0.000 2.350 834 G HA2 -0.248 3.715 3.960 0.005 0.000 0.298 834 G HA3 -0.248 3.715 3.960 0.005 0.000 0.298 834 G C -0.338 174.722 174.900 0.265 0.000 1.037 834 G CA -0.144 45.072 45.100 0.194 0.000 1.074 834 G HN 0.623 nan 8.290 nan 0.000 0.511 835 E N -0.427 119.891 120.200 0.197 0.000 2.302 835 E HA 0.571 4.924 4.350 0.005 0.000 0.263 835 E C 0.644 177.353 176.600 0.182 0.000 0.897 835 E CA -0.537 55.962 56.400 0.166 0.000 0.809 835 E CB 1.112 30.874 29.700 0.104 0.000 1.270 835 E HN 0.712 nan 8.360 nan 0.000 0.410 836 R N 2.224 122.844 120.500 0.199 0.000 2.679 836 R HA 0.243 4.586 4.340 0.005 0.000 0.268 836 R C -0.053 176.297 176.300 0.084 0.000 1.044 836 R CA 0.026 56.230 56.100 0.173 0.000 1.105 836 R CB 0.151 30.520 30.300 0.116 0.000 0.989 836 R HN 0.398 nan 8.270 nan 0.000 0.447 837 K N 1.004 121.448 120.400 0.074 0.000 2.601 837 K HA 0.279 4.602 4.320 0.005 0.000 0.249 837 K C -1.229 175.377 176.600 0.010 0.000 0.966 837 K CA -0.479 55.807 56.287 -0.002 0.000 0.827 837 K CB 1.572 34.058 32.500 -0.024 0.000 1.178 837 K HN 0.591 nan 8.250 nan 0.000 0.437 838 K N 3.893 124.277 120.400 -0.027 0.000 2.211 838 K HA 0.459 4.782 4.320 0.005 0.000 0.275 838 K C -1.169 175.418 176.600 -0.022 0.000 1.024 838 K CA -0.705 55.577 56.287 -0.007 0.000 0.887 838 K CB 1.129 33.623 32.500 -0.009 0.000 1.084 838 K HN 0.451 nan 8.250 nan 0.000 0.463 839 V N 6.216 126.141 119.914 0.018 0.000 2.588 839 V HA 0.439 4.562 4.120 0.005 0.000 0.304 839 V C -0.219 175.887 176.094 0.019 0.000 1.042 839 V CA -0.882 61.443 62.300 0.042 0.000 0.877 839 V CB 1.834 33.740 31.823 0.138 0.000 0.996 839 V HN 0.664 nan 8.190 nan 0.000 0.425 840 I N 5.360 125.932 120.570 0.003 0.000 2.377 840 I HA 0.519 4.692 4.170 0.005 0.000 0.293 840 I C -0.641 175.414 176.117 -0.104 0.000 0.987 840 I CA -0.448 60.826 61.300 -0.043 0.000 1.185 840 I CB 1.707 39.683 38.000 -0.039 0.000 1.341 840 I HN 0.414 nan 8.210 nan 0.000 0.455 841 I N 5.405 125.863 120.570 -0.187 0.000 2.378 841 I HA 0.349 4.521 4.170 0.005 0.000 0.291 841 I C 0.164 176.133 176.117 -0.247 0.000 0.992 841 I CA -0.356 60.727 61.300 -0.361 0.000 1.154 841 I CB 1.937 39.636 38.000 -0.502 0.000 1.315 841 I HN 0.589 nan 8.210 nan 0.000 0.448 842 T N 1.615 116.026 114.554 -0.239 0.000 2.887 842 T HA 0.747 5.100 4.350 0.005 0.000 0.288 842 T C -0.507 174.104 174.700 -0.148 0.000 1.021 842 T CA -0.857 61.150 62.100 -0.154 0.000 1.000 842 T CB 2.026 70.830 68.868 -0.106 0.000 1.034 842 T HN 0.550 nan 8.240 nan 0.000 0.467 843 S N 1.906 117.545 115.700 -0.102 0.000 2.570 843 S HA 0.453 4.926 4.470 0.005 0.000 0.286 843 S C -2.385 172.185 174.600 -0.050 0.000 1.143 843 S CA -1.041 57.114 58.200 -0.075 0.000 0.921 843 S CB 1.738 64.888 63.200 -0.083 0.000 1.108 843 S HN 0.539 nan 8.310 nan 0.000 0.456 844 P HA -0.072 nan 4.420 nan 0.000 0.220 844 P C 0.435 177.723 177.300 -0.019 0.000 1.144 844 P CA 0.855 63.944 63.100 -0.019 0.000 0.800 844 P CB -0.063 31.633 31.700 -0.007 0.000 0.772 845 R N -0.213 120.273 120.500 -0.024 0.000 2.555 845 R HA 0.293 4.636 4.340 0.005 0.000 0.272 845 R C 0.379 176.660 176.300 -0.031 0.000 1.089 845 R CA -0.172 55.915 56.100 -0.022 0.000 1.126 845 R CB -0.328 29.960 30.300 -0.019 0.000 1.250 845 R HN 0.273 nan 8.270 nan 0.000 0.551 846 I N 1.657 122.204 120.570 -0.037 0.000 2.330 846 I HA 0.155 4.328 4.170 0.005 0.000 0.286 846 I C 0.430 176.529 176.117 -0.030 0.000 1.025 846 I CA -0.438 60.837 61.300 -0.042 0.000 1.197 846 I CB 0.831 38.795 38.000 -0.059 0.000 1.358 846 I HN -0.134 nan 8.210 nan 0.000 0.467 853 P HA 0.368 nan 4.420 nan 0.000 0.267 853 P C -1.207 176.039 177.300 -0.091 0.000 1.209 853 P CA -0.052 63.022 63.100 -0.044 0.000 0.763 853 P CB 0.876 32.550 31.700 -0.043 0.000 0.816 854 V N 3.784 123.637 119.914 -0.102 0.000 2.495 854 V HA 0.479 4.602 4.120 0.005 0.000 0.298 854 V C -0.068 175.900 176.094 -0.210 0.000 1.031 854 V CA -0.534 61.624 62.300 -0.237 0.000 0.871 854 V CB 1.839 33.376 31.823 -0.478 0.000 0.988 854 V HN 0.516 nan 8.190 nan 0.000 0.432 855 N N 4.197 122.730 118.700 -0.279 0.000 2.410 855 N HA 0.555 5.298 4.740 0.005 0.000 0.287 855 N C -1.354 173.941 175.510 -0.359 0.000 1.044 855 N CA -0.439 52.460 53.050 -0.251 0.000 0.881 855 N CB 1.424 39.774 38.487 -0.229 0.000 1.405 855 N HN 0.625 nan 8.380 nan 0.000 0.490 856 I N 3.053 123.457 120.570 -0.278 0.000 2.362 856 I HA 0.355 4.528 4.170 0.005 0.000 0.289 856 I C -0.049 175.889 176.117 -0.298 0.000 0.994 856 I CA -0.748 60.368 61.300 -0.306 0.000 1.158 856 I CB 1.351 39.233 38.000 -0.198 0.000 1.315 856 I HN 0.285 nan 8.210 nan 0.000 0.451 857 K N 5.546 125.687 120.400 -0.432 0.000 2.259 857 K HA 0.698 5.021 4.320 0.005 0.000 0.249 857 K C -1.076 175.224 176.600 -0.500 0.000 0.942 857 K CA -0.895 55.034 56.287 -0.597 0.000 0.816 857 K CB 2.370 34.286 32.500 -0.972 0.000 1.155 857 K HN 0.708 nan 8.250 nan 0.000 0.428 858 H N -1.665 117.147 119.070 -0.430 0.000 3.017 858 H HA 0.319 4.878 4.556 0.005 0.000 0.346 858 H C 0.547 175.883 175.328 0.013 0.000 1.286 858 H CA -0.979 54.964 56.048 -0.175 0.000 1.120 858 H CB 0.490 30.153 29.762 -0.165 0.000 1.860 858 H HN 0.284 nan 8.280 nan 0.000 0.542 859 I N 0.038 120.764 120.570 0.260 0.000 2.163 859 I HA -0.198 3.975 4.170 0.005 0.000 0.243 859 I C 2.553 178.704 176.117 0.056 0.000 1.085 859 I CA 1.308 62.749 61.300 0.236 0.000 1.347 859 I CB -0.816 37.304 38.000 0.200 0.000 1.044 859 I HN 0.751 nan 8.210 nan 0.000 0.408 860 R N 1.662 122.147 120.500 -0.025 0.000 2.152 860 R HA -0.168 4.175 4.340 0.005 0.000 0.232 860 R C 1.798 177.770 176.300 -0.545 0.000 1.117 860 R CA 1.208 57.103 56.100 -0.342 0.000 0.981 860 R CB -0.251 29.998 30.300 -0.084 0.000 0.870 860 R HN 0.512 nan 8.270 nan 0.000 0.451 861 E N -0.572 119.331 120.200 -0.496 0.000 2.338 861 E HA -0.095 4.257 4.350 0.005 0.000 0.197 861 E C 1.412 177.839 176.600 -0.290 0.000 1.007 861 E CA 1.487 57.622 56.400 -0.443 0.000 0.849 861 E CB 0.036 29.398 29.700 -0.564 0.000 0.774 861 E HN 0.513 nan 8.360 nan 0.000 0.506 862 T N -1.352 113.075 114.554 -0.212 0.000 3.088 862 T HA -0.070 4.283 4.350 0.005 0.000 0.259 862 T C 0.353 175.119 174.700 0.110 0.000 1.122 862 T CA 0.171 62.277 62.100 0.010 0.000 1.095 862 T CB -0.328 68.645 68.868 0.176 0.000 0.930 862 T HN 0.236 nan 8.240 nan 0.000 0.508 863 Y N -0.827 119.476 120.300 0.005 0.000 2.544 863 Y HA 0.772 5.324 4.550 0.005 0.000 0.342 863 Y C -0.634 175.271 175.900 0.009 0.000 1.062 863 Y CA -1.965 56.144 58.100 0.014 0.000 1.023 863 Y CB 1.376 39.852 38.460 0.026 0.000 1.308 863 Y HN -0.229 nan 8.280 nan 0.000 0.457 864 K N 0.000 120.505 120.400 0.175 0.000 2.780 864 K HA 0.000 4.323 4.320 0.005 0.000 0.191 864 K CA 0.000 56.355 56.287 0.114 0.000 0.838 864 K CB 0.000 32.538 32.500 0.064 0.000 1.064 864 K HN 0.000 nan 8.250 nan 0.000 0.543