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 2wbk_1_B DATA FIRST_RESID 27 DATA SEQUENCE GNDTSEVMLL DTGWEFSQSG TEKWMPATVP GTVHQDLISH ELLPNPFYGM DATA SEQUENCE NEKKIQWVEN EDWEYRTSFI VSEEQLNRDG IQLIFEGLDT YADVYLNGSL DATA SEQUENCE LLKADNMFVG YTLPVKSVLR KGENHLYIYF HSPIRQTLPQ YASNGFNYPA DATA SEQUENCE DNDHHEKHLS VFSRKAPYSY GWDWGIRMVT SGVWRPVTLR FYDIATISDY DATA SEQUENCE YVRQLSLTDE NARLSNELIV NQIVPQKIPA EVRVNVSLNG TTVTEVKQQV DATA SEQUENCE TLQPGINHIT LPAEVTNPVR WMPNGWGTPT LYDFSAQIAC GDRIVAEQSH DATA SEQUENCE RIGLRTIRVV NEKDKDGESF YFEVNGIPMF AKGANYIPQD ALLPNVTTER DATA SEQUENCE YQTLFRDMKE ANMNMVRIWG GGTYENNLFY DLADENGILV WQDFMFACTP DATA SEQUENCE YPSDPTFLKR VEAEAVYNIR RLRNHASLAM WCGNNEILEA LKYWGFEKKF DATA SEQUENCE TPEVYQGLMH GYDKLFRELL PSTVKEFDSD RFYVHSSPYL ANWGRPESWG DATA SEQUENCE TGDSHNWGVW YGKKPFESLD TDLPRFMSQF GFQSFPEMKT IAAFAAPEDY DATA SEQUENCE QIESEVMNAH QKSSIGNSLI RTYMERDYII PESFEDFVYV GLVLQGQGMR DATA SEQUENCE HGLEAHRRNR PYCMGTLYWQ LNDSWPVVSW SSIDYYGNWK ALHYQAKRAF DATA SEQUENCE APVLINPIQQ NDSLSVYLIS DRLDTMEQMT LEMKVVDFDG KTLGKKIQVH DATA SEQUENCE SLEVPANTSK CVYRAKLDGW LTPEDCRRSF LKLILKDKSG HQVAESVHFF DATA SEQUENCE RKTKDLQLPP TSVSYQMKQT DGKCELTLFS SMLAKDIFIE TPLQGARYSD DATA SEQUENCE NFFDLLPGER KKVIITSPRI KKGEELPVNI KHIRETYKLE 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 27 G HA2 0.000 nan 3.960 nan 0.000 0.244 27 G HA3 0.000 3.972 3.960 0.021 0.000 0.244 27 G C 0.000 174.895 174.900 -0.009 0.000 0.946 27 G CA 0.000 45.088 45.100 -0.020 0.000 0.502 28 N N 1.646 120.341 118.700 -0.008 0.000 2.739 28 N HA 0.502 5.255 4.740 0.021 0.000 0.266 28 N C -0.841 174.666 175.510 -0.005 0.000 1.168 28 N CA 0.643 53.692 53.050 -0.002 0.000 1.055 28 N CB -0.223 38.264 38.487 -0.001 0.000 1.393 28 N HN 0.743 nan 8.380 nan 0.000 0.514 29 D N -1.665 118.735 120.400 0.001 0.000 2.812 29 D HA 0.223 4.876 4.640 0.021 0.000 0.318 29 D C 0.994 177.306 176.300 0.020 0.000 1.234 29 D CA -0.288 53.715 54.000 0.005 0.000 0.989 29 D CB 0.265 41.063 40.800 -0.003 0.000 1.442 29 D HN 0.196 nan 8.370 nan 0.000 0.537 30 T N -2.674 111.899 114.554 0.032 0.000 3.169 30 T HA 0.215 4.578 4.350 0.021 0.000 0.250 30 T C 0.623 175.366 174.700 0.071 0.000 1.111 30 T CA 0.142 62.268 62.100 0.043 0.000 1.010 30 T CB -0.968 67.924 68.868 0.041 0.000 0.984 30 T HN 0.547 nan 8.240 nan 0.000 0.537 31 S N 0.630 116.381 115.700 0.085 0.000 2.593 31 S HA 0.297 4.779 4.470 0.021 0.000 0.269 31 S C -0.210 174.464 174.600 0.122 0.000 1.334 31 S CA -0.869 57.412 58.200 0.134 0.000 1.015 31 S CB 1.172 64.449 63.200 0.127 0.000 0.912 31 S HN 0.626 nan 8.310 nan 0.000 0.541 32 E N 1.036 121.346 120.200 0.183 0.000 2.171 32 E HA 0.528 4.891 4.350 0.021 0.000 0.271 32 E C -1.606 175.139 176.600 0.241 0.000 0.916 32 E CA -0.965 55.535 56.400 0.167 0.000 0.774 32 E CB 1.562 31.329 29.700 0.111 0.000 1.128 32 E HN 0.545 nan 8.360 nan 0.000 0.403 33 V N 5.887 125.890 119.914 0.149 0.000 2.384 33 V HA 0.307 4.440 4.120 0.021 0.000 0.287 33 V C -0.031 176.130 176.094 0.112 0.000 1.020 33 V CA -0.672 61.698 62.300 0.116 0.000 0.850 33 V CB 1.372 33.222 31.823 0.046 0.000 0.987 33 V HN 0.805 nan 8.190 nan 0.000 0.436 34 M N 6.146 125.824 119.600 0.131 0.000 2.101 34 M HA 0.529 5.021 4.480 0.021 0.000 0.340 34 M C -1.248 175.051 176.300 -0.002 0.000 1.057 34 M CA -0.357 54.993 55.300 0.083 0.000 0.984 34 M CB 1.217 33.916 32.600 0.166 0.000 1.560 34 M HN 0.437 nan 8.290 nan 0.000 0.435 35 L N 6.067 127.293 121.223 0.006 0.000 2.360 35 L HA 0.281 4.634 4.340 0.021 0.000 0.276 35 L C 0.343 177.220 176.870 0.013 0.000 1.121 35 L CA -0.195 54.647 54.840 0.003 0.000 0.845 35 L CB 0.284 42.360 42.059 0.027 0.000 1.143 35 L HN 0.761 nan 8.230 nan 0.000 0.452 36 L N 3.939 125.175 121.223 0.022 0.000 2.422 36 L HA 0.275 4.627 4.340 0.021 0.000 0.256 36 L C 0.457 177.541 176.870 0.358 0.000 1.202 36 L CA -0.195 54.702 54.840 0.095 0.000 1.119 36 L CB -0.094 41.989 42.059 0.040 0.000 1.383 36 L HN 0.801 nan 8.230 nan 0.000 0.411 37 D N -1.057 119.502 120.400 0.264 0.000 2.513 37 D HA 0.069 4.722 4.640 0.021 0.000 0.222 37 D C 0.366 176.856 176.300 0.316 0.000 1.210 37 D CA -0.067 54.113 54.000 0.299 0.000 0.825 37 D CB 0.550 41.444 40.800 0.157 0.000 1.037 37 D HN 0.320 nan 8.370 nan 0.000 0.506 38 T N -5.370 109.365 114.554 0.303 0.000 2.868 38 T HA 0.535 4.898 4.350 0.021 0.000 0.306 38 T C 0.863 175.671 174.700 0.181 0.000 1.224 38 T CA -0.337 61.912 62.100 0.248 0.000 1.012 38 T CB 1.600 70.558 68.868 0.149 0.000 1.221 38 T HN 0.391 nan 8.240 nan 0.000 0.499 39 G N -0.217 108.695 108.800 0.187 0.000 2.159 39 G HA2 -0.213 3.760 3.960 0.021 0.000 0.256 39 G HA3 -0.213 3.760 3.960 0.021 0.000 0.256 39 G C -0.145 174.836 174.900 0.137 0.000 0.977 39 G CA -0.099 45.068 45.100 0.110 0.000 0.652 39 G HN 0.839 nan 8.290 nan 0.000 0.531 40 W N 0.919 122.333 121.300 0.189 0.000 2.218 40 W HA 0.623 5.294 4.660 0.018 0.000 0.326 40 W C 0.792 177.485 176.519 0.289 0.000 1.276 40 W CA -0.203 57.293 57.345 0.251 0.000 1.210 40 W CB 0.590 30.241 29.460 0.318 0.000 1.143 40 W HN 0.169 nan 8.180 nan 0.000 0.563 41 E N 2.165 122.710 120.200 0.575 0.000 2.288 41 E HA 0.516 4.878 4.350 0.021 0.000 0.268 41 E C -1.197 175.802 176.600 0.665 0.000 0.885 41 E CA -1.109 55.621 56.400 0.551 0.000 0.767 41 E CB 2.090 32.022 29.700 0.386 0.000 1.220 41 E HN 0.336 nan 8.360 nan 0.000 0.427 42 F N -0.597 119.508 119.950 0.259 0.000 2.611 42 F HA 0.842 5.381 4.527 0.020 0.000 0.324 42 F C -0.680 174.976 175.800 -0.241 0.000 1.061 42 F CA -0.776 57.094 58.000 -0.216 0.000 0.954 42 F CB 2.108 40.608 39.000 -0.833 0.000 1.301 42 F HN 0.332 nan 8.300 nan 0.000 0.482 43 S N 1.213 116.486 115.700 -0.711 0.000 2.533 43 S HA 0.209 4.691 4.470 0.021 0.000 0.271 43 S C -1.649 172.651 174.600 -0.500 0.000 1.143 43 S CA -0.740 56.873 58.200 -0.979 0.000 0.891 43 S CB 1.676 63.752 63.200 -1.873 0.000 1.105 43 S HN 1.011 nan 8.310 nan 0.000 0.468 44 Q N 2.800 122.309 119.800 -0.486 0.000 2.286 44 Q HA 0.265 4.617 4.340 0.021 0.000 0.267 44 Q C -0.163 175.465 176.000 -0.620 0.000 1.028 44 Q CA 0.085 55.398 55.803 -0.817 0.000 0.901 44 Q CB 0.546 28.864 28.738 -0.699 0.000 1.183 44 Q HN 0.628 nan 8.270 nan 0.000 0.392 45 S N 2.990 118.327 115.700 -0.605 0.000 2.593 45 S HA 0.212 4.694 4.470 0.021 0.000 0.300 45 S C 1.052 175.508 174.600 -0.240 0.000 1.267 45 S CA 1.272 59.263 58.200 -0.350 0.000 1.065 45 S CB -0.189 62.825 63.200 -0.310 0.000 0.807 45 S HN 1.051 nan 8.310 nan 0.000 0.499 46 G N 2.949 111.664 108.800 -0.142 0.000 2.217 46 G HA2 -0.312 3.661 3.960 0.021 0.000 0.246 46 G HA3 -0.312 3.661 3.960 0.021 0.000 0.246 46 G C 0.905 175.730 174.900 -0.125 0.000 0.990 46 G CA 1.062 46.104 45.100 -0.097 0.000 0.627 46 G HN 1.193 nan 8.290 nan 0.000 0.522 47 T N -1.826 112.610 114.554 -0.198 0.000 3.054 47 T HA 0.329 4.691 4.350 0.021 0.000 0.259 47 T C 1.193 175.792 174.700 -0.168 0.000 1.092 47 T CA 1.315 63.301 62.100 -0.190 0.000 1.121 47 T CB -0.178 68.544 68.868 -0.243 0.000 0.912 47 T HN 0.846 nan 8.240 nan 0.000 0.489 48 E N 0.197 120.283 120.200 -0.189 0.000 3.065 48 E HA -0.210 4.152 4.350 0.021 0.000 0.277 48 E C 0.039 176.568 176.600 -0.119 0.000 1.008 48 E CA 0.685 57.034 56.400 -0.085 0.000 0.864 48 E CB -1.093 28.631 29.700 0.040 0.000 1.439 48 E HN 0.642 nan 8.360 nan 0.000 0.445 49 K N 0.645 120.857 120.400 -0.314 0.000 2.213 49 K HA 0.352 4.685 4.320 0.021 0.000 0.270 49 K C -1.107 175.182 176.600 -0.518 0.000 1.002 49 K CA -0.489 55.642 56.287 -0.259 0.000 0.868 49 K CB 0.670 33.049 32.500 -0.202 0.000 1.093 49 K HN -0.021 nan 8.250 nan 0.000 0.454 50 W N 4.933 126.150 121.300 -0.139 0.000 2.666 50 W HA 0.486 5.158 4.660 0.019 0.000 0.334 50 W C -0.284 176.132 176.519 -0.172 0.000 1.051 50 W CA -0.684 56.564 57.345 -0.162 0.000 1.224 50 W CB 1.554 30.979 29.460 -0.059 0.000 1.405 50 W HN 0.312 nan 8.180 nan 0.000 0.513 51 M N 3.038 122.644 119.600 0.009 0.000 2.575 51 M HA 0.400 4.892 4.480 0.021 0.000 0.284 51 M C -2.580 173.901 176.300 0.302 0.000 1.253 51 M CA -2.088 53.206 55.300 -0.011 0.000 0.861 51 M CB 2.378 34.760 32.600 -0.363 0.000 1.733 51 M HN -0.024 nan 8.290 nan 0.000 0.462 52 P HA 0.269 nan 4.420 nan 0.000 0.269 52 P C -1.384 176.295 177.300 0.630 0.000 1.209 52 P CA -0.081 63.310 63.100 0.484 0.000 0.776 52 P CB 0.538 32.480 31.700 0.402 0.000 0.876 53 A N 2.041 125.161 122.820 0.501 0.000 2.430 53 A HA 0.783 5.116 4.320 0.021 0.000 0.300 53 A C -0.767 176.972 177.584 0.259 0.000 1.124 53 A CA -0.409 51.838 52.037 0.351 0.000 0.766 53 A CB 1.018 20.294 19.000 0.460 0.000 1.328 53 A HN 0.404 nan 8.150 nan 0.000 0.424 54 T N 0.871 115.493 114.554 0.113 0.000 2.792 54 T HA 0.576 4.938 4.350 0.021 0.000 0.280 54 T C -0.942 173.744 174.700 -0.024 0.000 0.990 54 T CA -0.268 61.877 62.100 0.076 0.000 0.960 54 T CB 1.068 69.956 68.868 0.034 0.000 0.939 54 T HN 0.539 nan 8.240 nan 0.000 0.439 55 V N 5.706 125.593 119.914 -0.045 0.000 2.588 55 V HA 0.429 4.561 4.120 0.021 0.000 0.304 55 V C -2.298 173.757 176.094 -0.065 0.000 1.042 55 V CA -2.186 59.980 62.300 -0.224 0.000 0.877 55 V CB 1.886 33.282 31.823 -0.713 0.000 0.996 55 V HN 0.675 nan 8.190 nan 0.000 0.425 56 P HA 0.510 nan 4.420 nan 0.000 0.269 56 P C 0.150 177.393 177.300 -0.095 0.000 1.209 56 P CA 0.379 63.416 63.100 -0.106 0.000 0.776 56 P CB 0.844 32.513 31.700 -0.052 0.000 0.876 57 G N 0.081 108.799 108.800 -0.137 0.000 2.427 57 G HA2 0.623 4.596 3.960 0.021 0.000 0.306 57 G HA3 0.623 4.596 3.960 0.021 0.000 0.306 57 G C -1.615 173.168 174.900 -0.195 0.000 1.280 57 G CA -0.461 44.557 45.100 -0.137 0.000 0.837 57 G HN 0.635 nan 8.290 nan 0.000 0.482 58 T N -2.622 111.803 114.554 -0.215 0.000 2.916 58 T HA 0.530 4.893 4.350 0.021 0.000 0.305 58 T C 1.016 175.530 174.700 -0.310 0.000 1.119 58 T CA 0.061 62.010 62.100 -0.253 0.000 1.008 58 T CB 1.569 70.343 68.868 -0.157 0.000 1.129 58 T HN 0.817 nan 8.240 nan 0.000 0.480 59 V N 1.382 121.062 119.914 -0.391 0.000 2.278 59 V HA -0.264 3.868 4.120 0.021 0.000 0.251 59 V C 2.447 178.166 176.094 -0.624 0.000 1.062 59 V CA 2.356 64.286 62.300 -0.616 0.000 1.038 59 V CB -1.171 30.056 31.823 -0.994 0.000 0.646 59 V HN 0.991 nan 8.190 nan 0.000 0.447 60 H N -0.692 118.080 119.070 -0.496 0.000 2.321 60 H HA -0.186 4.382 4.556 0.020 0.000 0.300 60 H C 2.279 177.434 175.328 -0.288 0.000 1.087 60 H CA 1.923 57.739 56.048 -0.387 0.000 1.319 60 H CB -0.282 29.277 29.762 -0.338 0.000 1.379 60 H HN 0.390 nan 8.280 nan 0.000 0.501 61 Q N 0.809 120.528 119.800 -0.134 0.000 2.119 61 Q HA -0.132 4.220 4.340 0.021 0.000 0.201 61 Q C 1.349 177.245 176.000 -0.174 0.000 0.972 61 Q CA 1.651 57.377 55.803 -0.129 0.000 0.847 61 Q CB -0.171 28.507 28.738 -0.100 0.000 0.903 61 Q HN 0.410 nan 8.270 nan 0.000 0.433 62 D N -0.232 119.987 120.400 -0.301 0.000 2.123 62 D HA -0.161 4.491 4.640 0.021 0.000 0.196 62 D C 1.889 178.085 176.300 -0.173 0.000 0.992 62 D CA 1.222 54.965 54.000 -0.427 0.000 0.833 62 D CB -0.147 40.008 40.800 -1.074 0.000 0.954 62 D HN 0.315 nan 8.370 nan 0.000 0.455 63 L N 0.379 121.525 121.223 -0.129 0.000 2.005 63 L HA -0.125 4.227 4.340 0.021 0.000 0.207 63 L C 2.613 179.556 176.870 0.122 0.000 1.072 63 L CA 0.700 55.627 54.840 0.144 0.000 0.744 63 L CB -0.362 41.719 42.059 0.036 0.000 0.895 63 L HN -0.013 nan 8.230 nan 0.000 0.433 64 I N -0.027 120.552 120.570 0.016 0.000 2.151 64 I HA -0.363 3.819 4.170 0.021 0.000 0.243 64 I C 2.782 178.901 176.117 0.003 0.000 1.080 64 I CA 1.844 63.152 61.300 0.014 0.000 1.339 64 I CB -0.405 37.575 38.000 -0.033 0.000 1.039 64 I HN 0.388 nan 8.210 nan 0.000 0.409 65 S N -0.472 115.191 115.700 -0.062 0.000 2.447 65 S HA -0.174 4.308 4.470 0.021 0.000 0.233 65 S C 1.677 176.156 174.600 -0.201 0.000 1.006 65 S CA 0.946 59.060 58.200 -0.143 0.000 0.957 65 S CB -0.442 62.626 63.200 -0.220 0.000 0.773 65 S HN 0.494 nan 8.310 nan 0.000 0.507 66 H N 0.938 120.075 119.070 0.112 0.000 2.549 66 H HA 0.334 4.903 4.556 0.021 0.000 0.279 66 H C 0.067 175.462 175.328 0.112 0.000 1.018 66 H CA 0.523 56.650 56.048 0.130 0.000 1.175 66 H CB -0.011 29.863 29.762 0.185 0.000 1.485 66 H HN 0.595 nan 8.280 nan 0.000 0.543 67 E N 0.192 120.492 120.200 0.167 0.000 2.759 67 E HA -0.181 4.182 4.350 0.021 0.000 0.280 67 E C 0.434 177.131 176.600 0.161 0.000 1.009 67 E CA 0.127 56.608 56.400 0.135 0.000 0.849 67 E CB -1.527 28.239 29.700 0.110 0.000 1.415 67 E HN 0.400 nan 8.360 nan 0.000 0.412 68 L N 0.034 121.381 121.223 0.206 0.000 2.607 68 L HA 0.283 4.635 4.340 0.021 0.000 0.228 68 L C 0.643 177.687 176.870 0.290 0.000 1.123 68 L CA 0.436 55.421 54.840 0.242 0.000 0.890 68 L CB 0.302 42.542 42.059 0.300 0.000 1.103 68 L HN 0.102 nan 8.230 nan 0.000 0.468 69 L N -0.232 121.123 121.223 0.219 0.000 2.424 69 L HA 0.491 4.844 4.340 0.021 0.000 0.258 69 L C -2.274 174.687 176.870 0.153 0.000 0.995 69 L CA -1.730 53.241 54.840 0.217 0.000 0.821 69 L CB 2.840 44.981 42.059 0.138 0.000 1.383 69 L HN -0.208 nan 8.230 nan 0.000 0.410 70 P HA 0.029 nan 4.420 nan 0.000 0.275 70 P C -0.898 176.470 177.300 0.114 0.000 1.266 70 P CA -0.497 62.684 63.100 0.136 0.000 0.793 70 P CB 0.422 32.223 31.700 0.169 0.000 1.074 71 N N 1.776 120.549 118.700 0.122 0.000 2.429 71 N HA -0.014 4.739 4.740 0.021 0.000 0.271 71 N C -1.339 174.275 175.510 0.174 0.000 1.272 71 N CA -1.576 51.544 53.050 0.115 0.000 0.921 71 N CB -0.127 38.468 38.487 0.180 0.000 1.128 71 N HN 0.188 nan 8.380 nan 0.000 0.481 72 P HA -0.080 nan 4.420 nan 0.000 0.226 72 P C 0.581 178.114 177.300 0.387 0.000 1.153 72 P CA 0.930 64.089 63.100 0.100 0.000 0.777 72 P CB 0.038 31.672 31.700 -0.110 0.000 0.794 73 F N -2.143 117.986 119.950 0.299 0.000 2.754 73 F HA 0.169 4.709 4.527 0.021 0.000 0.297 73 F C 1.205 177.338 175.800 0.554 0.000 1.122 73 F CA -1.254 57.029 58.000 0.471 0.000 1.400 73 F CB -1.374 37.869 39.000 0.405 0.000 1.117 73 F HN -0.127 nan 8.300 nan 0.000 0.587 74 Y N 0.951 121.572 120.300 0.534 0.000 2.316 74 Y HA 0.472 5.035 4.550 0.022 0.000 0.331 74 Y C 1.133 177.302 175.900 0.449 0.000 1.083 74 Y CA 0.261 58.634 58.100 0.454 0.000 1.206 74 Y CB 0.328 38.974 38.460 0.310 0.000 1.195 74 Y HN 0.311 nan 8.280 nan 0.000 0.497 75 G N 4.969 113.633 108.800 -0.227 0.000 2.611 75 G HA2 -0.328 3.644 3.960 0.021 0.000 0.301 75 G HA3 -0.328 3.644 3.960 0.021 0.000 0.301 75 G C 0.495 175.535 174.900 0.234 0.000 1.233 75 G CA 0.497 45.549 45.100 -0.079 0.000 0.993 75 G HN 0.590 nan 8.290 nan 0.000 0.553 76 M N 2.134 121.846 119.600 0.188 0.000 2.639 76 M HA 0.144 4.636 4.480 0.021 0.000 0.220 76 M C 1.809 178.214 176.300 0.174 0.000 1.155 76 M CA 0.062 55.462 55.300 0.166 0.000 1.003 76 M CB -1.082 31.599 32.600 0.135 0.000 1.725 76 M HN 0.431 nan 8.290 nan 0.000 0.489 77 N N 1.090 119.927 118.700 0.227 0.000 2.381 77 N HA -0.161 4.592 4.740 0.021 0.000 0.182 77 N C 1.561 177.165 175.510 0.156 0.000 1.025 77 N CA 0.715 53.895 53.050 0.216 0.000 0.888 77 N CB -0.115 38.537 38.487 0.274 0.000 0.965 77 N HN 0.534 nan 8.380 nan 0.000 0.438 78 E N 1.247 121.516 120.200 0.116 0.000 2.086 78 E HA -0.287 4.075 4.350 0.021 0.000 0.200 78 E C 2.033 178.661 176.600 0.046 0.000 1.012 78 E CA 2.146 58.566 56.400 0.034 0.000 0.812 78 E CB 0.039 29.713 29.700 -0.043 0.000 0.743 78 E HN 0.432 nan 8.360 nan 0.000 0.453 79 K N 1.224 121.666 120.400 0.070 0.000 2.148 79 K HA -0.118 4.215 4.320 0.021 0.000 0.204 79 K C 1.852 178.529 176.600 0.129 0.000 1.050 79 K CA 1.591 57.926 56.287 0.080 0.000 0.942 79 K CB -0.501 32.044 32.500 0.074 0.000 0.724 79 K HN 0.136 nan 8.250 nan 0.000 0.446 80 K N -0.089 120.403 120.400 0.155 0.000 2.486 80 K HA 0.167 4.499 4.320 0.021 0.000 0.194 80 K C 1.594 178.382 176.600 0.313 0.000 1.033 80 K CA 1.087 57.507 56.287 0.222 0.000 1.004 80 K CB -0.003 32.620 32.500 0.204 0.000 0.798 80 K HN 0.711 nan 8.250 nan 0.000 0.495 81 I N -3.021 117.657 120.570 0.179 0.000 4.154 81 I HA 0.066 4.249 4.170 0.021 0.000 0.334 81 I C 1.044 177.080 176.117 -0.134 0.000 1.371 81 I CA -0.198 61.124 61.300 0.037 0.000 1.110 81 I CB 0.401 38.419 38.000 0.031 0.000 1.085 81 I HN -0.164 nan 8.210 nan 0.000 0.398 82 Q N 2.021 121.831 119.800 0.017 0.000 2.226 82 Q HA -0.154 4.198 4.340 0.021 0.000 0.204 82 Q C 1.950 177.963 176.000 0.021 0.000 0.975 82 Q CA 2.129 57.941 55.803 0.016 0.000 0.866 82 Q CB -0.584 28.200 28.738 0.076 0.000 0.915 82 Q HN 0.918 nan 8.270 nan 0.000 0.440 83 W N 0.587 121.944 121.300 0.096 0.000 2.331 83 W HA -0.167 4.504 4.660 0.020 0.000 0.291 83 W C 1.477 178.084 176.519 0.146 0.000 1.214 83 W CA 0.889 58.295 57.345 0.102 0.000 1.228 83 W CB -1.261 28.251 29.460 0.086 0.000 1.135 83 W HN -0.103 nan 8.180 nan 0.000 0.537 84 V N 2.823 122.319 119.914 -0.697 0.000 2.324 84 V HA -0.381 3.751 4.120 0.021 0.000 0.250 84 V C 2.752 178.851 176.094 0.009 0.000 1.060 84 V CA 2.950 64.893 62.300 -0.594 0.000 1.042 84 V CB -1.321 29.844 31.823 -1.096 0.000 0.650 84 V HN 0.384 nan 8.190 nan 0.000 0.450 85 E N 0.840 121.040 120.200 0.001 0.000 2.265 85 E HA -0.257 4.106 4.350 0.021 0.000 0.196 85 E C 1.543 178.235 176.600 0.154 0.000 0.996 85 E CA 1.919 58.370 56.400 0.087 0.000 0.832 85 E CB -0.576 29.145 29.700 0.035 0.000 0.756 85 E HN 0.801 nan 8.360 nan 0.000 0.491 86 N N 0.347 119.153 118.700 0.176 0.000 2.412 86 N HA 0.008 4.760 4.740 0.021 0.000 0.184 86 N C -0.213 175.381 175.510 0.140 0.000 1.101 86 N CA 0.021 53.169 53.050 0.165 0.000 0.881 86 N CB 0.330 38.918 38.487 0.169 0.000 0.969 86 N HN 0.107 nan 8.380 nan 0.000 0.459 87 E N 0.947 121.239 120.200 0.152 0.000 2.248 87 E HA 0.197 4.559 4.350 0.021 0.000 0.272 87 E C -0.758 175.725 176.600 -0.195 0.000 1.008 87 E CA -0.301 56.047 56.400 -0.086 0.000 0.856 87 E CB 0.994 30.512 29.700 -0.303 0.000 1.120 87 E HN 0.047 nan 8.360 nan 0.000 0.397 88 D N 0.599 120.784 120.400 -0.358 0.000 2.253 88 D HA 0.367 5.020 4.640 0.021 0.000 0.249 88 D C -0.604 175.262 176.300 -0.723 0.000 1.049 88 D CA -0.032 53.769 54.000 -0.332 0.000 0.929 88 D CB 0.608 41.259 40.800 -0.247 0.000 1.176 88 D HN 0.198 nan 8.370 nan 0.000 0.437 89 W N 0.329 121.523 121.300 -0.176 0.000 2.915 89 W HA 0.374 5.046 4.660 0.021 0.000 0.337 89 W C 0.023 176.549 176.519 0.012 0.000 1.102 89 W CA -0.732 56.576 57.345 -0.062 0.000 1.224 89 W CB 1.443 30.963 29.460 0.100 0.000 1.416 89 W HN 0.061 nan 8.180 nan 0.000 0.503 90 E N 1.493 121.797 120.200 0.173 0.000 2.238 90 E HA 0.479 4.841 4.350 0.021 0.000 0.267 90 E C -1.649 175.184 176.600 0.390 0.000 0.887 90 E CA -1.122 55.459 56.400 0.303 0.000 0.769 90 E CB 2.351 32.183 29.700 0.220 0.000 1.187 90 E HN 0.358 nan 8.360 nan 0.000 0.416 91 Y N 1.140 121.840 120.300 0.668 0.000 2.462 91 Y HA 0.456 5.018 4.550 0.019 0.000 0.346 91 Y C -0.043 176.218 175.900 0.601 0.000 0.976 91 Y CA -0.901 57.634 58.100 0.725 0.000 1.044 91 Y CB 1.936 40.797 38.460 0.669 0.000 1.230 91 Y HN 0.457 nan 8.280 nan 0.000 0.455 92 R N 0.431 121.272 120.500 0.569 0.000 2.739 92 R HA 0.884 5.236 4.340 0.021 0.000 0.271 92 R C -1.768 174.482 176.300 -0.083 0.000 1.010 92 R CA -0.863 55.186 56.100 -0.084 0.000 0.897 92 R CB 2.384 32.017 30.300 -1.113 0.000 1.236 92 R HN 0.607 nan 8.270 nan 0.000 0.466 93 T N -0.006 114.312 114.554 -0.392 0.000 2.853 93 T HA 0.491 4.854 4.350 0.021 0.000 0.311 93 T C -1.278 173.268 174.700 -0.256 0.000 1.307 93 T CA -0.506 61.307 62.100 -0.477 0.000 1.019 93 T CB 1.976 70.111 68.868 -1.221 0.000 1.264 93 T HN 0.616 nan 8.240 nan 0.000 0.497 94 S N 1.654 117.246 115.700 -0.180 0.000 2.578 94 S HA 0.953 5.436 4.470 0.021 0.000 0.301 94 S C -1.258 173.301 174.600 -0.068 0.000 1.091 94 S CA -0.657 57.415 58.200 -0.214 0.000 1.032 94 S CB 0.847 63.933 63.200 -0.191 0.000 1.064 94 S HN 0.685 nan 8.310 nan 0.000 0.508 95 F N -0.646 119.187 119.950 -0.195 0.000 2.668 95 F HA 0.684 5.222 4.527 0.020 0.000 0.309 95 F C -1.588 174.155 175.800 -0.095 0.000 1.117 95 F CA -1.372 56.557 58.000 -0.117 0.000 0.951 95 F CB 0.744 39.698 39.000 -0.075 0.000 1.323 95 F HN 0.232 nan 8.300 nan 0.000 0.451 96 I N 3.163 123.820 120.570 0.145 0.000 2.359 96 I HA 0.530 4.713 4.170 0.021 0.000 0.294 96 I C -0.529 175.682 176.117 0.157 0.000 0.987 96 I CA -0.961 60.372 61.300 0.055 0.000 1.225 96 I CB 1.467 39.483 38.000 0.025 0.000 1.366 96 I HN 0.504 nan 8.210 nan 0.000 0.466 97 V N 5.266 125.240 119.914 0.101 0.000 2.495 97 V HA 0.378 4.511 4.120 0.021 0.000 0.298 97 V C 0.445 176.549 176.094 0.018 0.000 1.031 97 V CA -0.557 61.813 62.300 0.116 0.000 0.871 97 V CB 1.905 33.869 31.823 0.236 0.000 0.988 97 V HN 0.945 nan 8.190 nan 0.000 0.432 98 S N 2.480 118.153 115.700 -0.044 0.000 2.681 98 S HA 0.323 4.805 4.470 0.021 0.000 0.270 98 S C 1.017 175.596 174.600 -0.035 0.000 1.209 98 S CA 0.025 58.195 58.200 -0.049 0.000 0.988 98 S CB 1.454 64.605 63.200 -0.082 0.000 1.006 98 S HN 0.837 nan 8.310 nan 0.000 0.558 99 E N 0.484 120.668 120.200 -0.028 0.000 2.072 99 E HA -0.195 4.167 4.350 0.021 0.000 0.191 99 E C 1.511 178.097 176.600 -0.024 0.000 0.985 99 E CA 1.431 57.821 56.400 -0.016 0.000 0.801 99 E CB -0.250 29.441 29.700 -0.015 0.000 0.750 99 E HN 0.781 nan 8.360 nan 0.000 0.452 100 E N 0.643 120.816 120.200 -0.045 0.000 2.077 100 E HA -0.209 4.154 4.350 0.021 0.000 0.193 100 E C 2.159 178.716 176.600 -0.071 0.000 0.989 100 E CA 1.473 57.840 56.400 -0.053 0.000 0.800 100 E CB -0.076 29.584 29.700 -0.066 0.000 0.746 100 E HN 0.351 nan 8.360 nan 0.000 0.452 101 Q N 0.057 119.777 119.800 -0.134 0.000 2.050 101 Q HA -0.124 4.229 4.340 0.021 0.000 0.202 101 Q C 2.299 178.334 176.000 0.058 0.000 0.980 101 Q CA 1.067 56.745 55.803 -0.209 0.000 0.840 101 Q CB -0.223 28.192 28.738 -0.539 0.000 0.898 101 Q HN 0.303 nan 8.270 nan 0.000 0.424 102 L N 1.017 122.279 121.223 0.065 0.000 2.187 102 L HA -0.187 4.166 4.340 0.021 0.000 0.213 102 L C 1.563 178.466 176.870 0.054 0.000 1.100 102 L CA 0.569 55.465 54.840 0.093 0.000 0.765 102 L CB -0.282 41.815 42.059 0.063 0.000 0.904 102 L HN 0.270 nan 8.230 nan 0.000 0.437 103 N N -0.309 118.406 118.700 0.025 0.000 2.521 103 N HA -0.026 4.727 4.740 0.021 0.000 0.188 103 N C 0.368 175.878 175.510 0.000 0.000 1.146 103 N CA 0.376 53.431 53.050 0.007 0.000 0.893 103 N CB 0.043 38.527 38.487 -0.004 0.000 0.975 103 N HN 0.163 nan 8.380 nan 0.000 0.451 104 R N 1.074 121.585 120.500 0.019 0.000 2.641 104 R HA 0.045 4.398 4.340 0.021 0.000 0.269 104 R C 0.802 177.050 176.300 -0.087 0.000 1.074 104 R CA -0.183 55.910 56.100 -0.011 0.000 1.133 104 R CB 0.288 30.620 30.300 0.053 0.000 1.029 104 R HN 0.065 nan 8.270 nan 0.000 0.488 105 D N 0.299 120.604 120.400 -0.159 0.000 2.144 105 D HA -0.043 4.610 4.640 0.021 0.000 0.199 105 D C 0.849 176.953 176.300 -0.326 0.000 0.984 105 D CA 1.454 55.333 54.000 -0.202 0.000 0.834 105 D CB 0.119 40.809 40.800 -0.183 0.000 0.955 105 D HN 0.640 nan 8.370 nan 0.000 0.465 106 G N -0.464 107.954 108.800 -0.637 0.000 2.682 106 G HA2 0.622 4.594 3.960 0.021 0.000 0.300 106 G HA3 0.622 4.594 3.960 0.021 0.000 0.300 106 G C -1.185 173.397 174.900 -0.531 0.000 1.391 106 G CA -0.589 44.025 45.100 -0.811 0.000 0.990 106 G HN 0.014 nan 8.290 nan 0.000 0.501 107 I N 0.866 121.342 120.570 -0.156 0.000 2.534 107 I HA 0.349 4.531 4.170 0.021 0.000 0.288 107 I C -0.650 175.447 176.117 -0.034 0.000 1.077 107 I CA -0.644 60.584 61.300 -0.119 0.000 1.051 107 I CB 2.476 40.351 38.000 -0.209 0.000 1.234 107 I HN 0.339 nan 8.210 nan 0.000 0.425 108 Q N 4.939 124.714 119.800 -0.041 0.000 2.365 108 Q HA 0.628 4.980 4.340 0.021 0.000 0.269 108 Q C -1.380 174.537 176.000 -0.138 0.000 1.061 108 Q CA -1.031 54.754 55.803 -0.030 0.000 0.816 108 Q CB 3.478 32.215 28.738 -0.002 0.000 1.325 108 Q HN 0.406 nan 8.270 nan 0.000 0.446 109 L N 3.155 124.317 121.223 -0.102 0.000 2.287 109 L HA 0.538 4.890 4.340 0.021 0.000 0.287 109 L C -1.508 175.265 176.870 -0.162 0.000 1.022 109 L CA -0.212 54.521 54.840 -0.178 0.000 0.814 109 L CB 1.065 43.063 42.059 -0.101 0.000 1.217 109 L HN 0.567 nan 8.230 nan 0.000 0.420 110 I N 5.681 126.094 120.570 -0.262 0.000 2.362 110 I HA 0.331 4.514 4.170 0.021 0.000 0.289 110 I C -1.011 174.917 176.117 -0.315 0.000 0.994 110 I CA -0.176 61.027 61.300 -0.163 0.000 1.158 110 I CB 1.100 39.043 38.000 -0.096 0.000 1.315 110 I HN 0.414 nan 8.210 nan 0.000 0.451 111 F N 4.846 124.843 119.950 0.079 0.000 2.361 111 F HA 0.311 4.850 4.527 0.021 0.000 0.364 111 F C 1.382 177.195 175.800 0.022 0.000 1.120 111 F CA -0.410 57.637 58.000 0.079 0.000 1.102 111 F CB 1.000 40.088 39.000 0.147 0.000 1.183 111 F HN 0.510 nan 8.300 nan 0.000 0.476 112 E N 2.070 122.311 120.200 0.068 0.000 2.418 112 E HA 0.147 4.510 4.350 0.021 0.000 0.197 112 E C 0.714 177.232 176.600 -0.136 0.000 1.026 112 E CA 0.187 56.566 56.400 -0.035 0.000 0.862 112 E CB 0.283 29.934 29.700 -0.083 0.000 0.799 112 E HN 0.749 nan 8.360 nan 0.000 0.518 113 G N 0.641 109.406 108.800 -0.059 0.000 2.524 113 G HA2 0.410 4.382 3.960 0.021 0.000 0.306 113 G HA3 0.410 4.382 3.960 0.021 0.000 0.306 113 G C -1.470 173.592 174.900 0.271 0.000 1.420 113 G CA -0.810 44.250 45.100 -0.067 0.000 1.086 113 G HN -0.040 nan 8.290 nan 0.000 0.591 114 L N 2.183 123.676 121.223 0.450 0.000 2.356 114 L HA 0.520 4.872 4.340 0.021 0.000 0.277 114 L C -1.120 175.977 176.870 0.378 0.000 0.996 114 L CA -0.929 54.169 54.840 0.429 0.000 0.822 114 L CB 2.497 44.676 42.059 0.200 0.000 1.256 114 L HN 0.484 nan 8.230 nan 0.000 0.413 115 D N 1.554 122.141 120.400 0.311 0.000 2.472 115 D HA 0.377 5.029 4.640 0.021 0.000 0.234 115 D C 0.031 176.403 176.300 0.120 0.000 1.088 115 D CA -0.084 53.909 54.000 -0.011 0.000 0.882 115 D CB 1.462 42.086 40.800 -0.293 0.000 1.037 115 D HN 0.520 nan 8.370 nan 0.000 0.520 116 T N 2.081 116.739 114.554 0.173 0.000 3.507 116 T HA 0.069 4.432 4.350 0.021 0.000 0.280 116 T C -0.215 174.412 174.700 -0.121 0.000 0.976 116 T CA 0.091 62.132 62.100 -0.097 0.000 1.096 116 T CB 0.022 68.671 68.868 -0.364 0.000 1.168 116 T HN 0.212 nan 8.240 nan 0.000 0.463 117 Y N 2.644 123.078 120.300 0.224 0.000 2.595 117 Y HA 0.701 5.263 4.550 0.021 0.000 0.347 117 Y C 0.177 176.210 175.900 0.221 0.000 1.025 117 Y CA -1.122 57.104 58.100 0.210 0.000 1.295 117 Y CB 0.295 38.901 38.460 0.242 0.000 1.147 117 Y HN 0.209 nan 8.280 nan 0.000 0.515 118 A N 2.726 125.599 122.820 0.089 0.000 2.335 118 A HA 0.544 4.876 4.320 0.021 0.000 0.304 118 A C -1.075 176.384 177.584 -0.208 0.000 1.118 118 A CA -0.907 50.968 52.037 -0.270 0.000 0.757 118 A CB 0.618 19.237 19.000 -0.635 0.000 1.188 118 A HN 0.490 nan 8.150 nan 0.000 0.460 119 D N 2.031 122.351 120.400 -0.133 0.000 2.280 119 D HA 0.408 5.060 4.640 0.021 0.000 0.243 119 D C -0.465 175.588 176.300 -0.412 0.000 1.129 119 D CA 0.185 54.040 54.000 -0.241 0.000 0.848 119 D CB 1.805 42.560 40.800 -0.075 0.000 1.107 119 D HN 0.169 nan 8.370 nan 0.000 0.471 120 V N 3.873 123.476 119.914 -0.518 0.000 2.370 120 V HA 0.266 4.398 4.120 0.021 0.000 0.283 120 V C -0.741 175.135 176.094 -0.364 0.000 1.023 120 V CA -0.652 61.444 62.300 -0.340 0.000 0.857 120 V CB 0.436 32.056 31.823 -0.338 0.000 0.985 120 V HN 0.353 nan 8.190 nan 0.000 0.443 121 Y N 5.086 125.482 120.300 0.160 0.000 2.341 121 Y HA 0.711 5.273 4.550 0.020 0.000 0.338 121 Y C -0.319 175.713 175.900 0.220 0.000 0.965 121 Y CA -0.928 57.269 58.100 0.160 0.000 1.108 121 Y CB 1.933 40.481 38.460 0.147 0.000 1.180 121 Y HN 0.526 nan 8.280 nan 0.000 0.458 122 L N 4.764 126.175 121.223 0.314 0.000 2.372 122 L HA 0.539 4.891 4.340 0.021 0.000 0.274 122 L C -0.519 176.471 176.870 0.201 0.000 0.988 122 L CA -0.646 54.358 54.840 0.274 0.000 0.833 122 L CB 0.986 43.199 42.059 0.258 0.000 1.236 122 L HN 0.719 nan 8.230 nan 0.000 0.410 123 N N 4.470 123.277 118.700 0.179 0.000 2.714 123 N HA -0.211 4.542 4.740 0.021 0.000 0.252 123 N C 0.976 176.541 175.510 0.093 0.000 1.014 123 N CA 1.387 54.508 53.050 0.120 0.000 0.735 123 N CB -1.166 37.370 38.487 0.082 0.000 0.924 123 N HN 1.293 nan 8.380 nan 0.000 0.540 124 G N -1.953 106.903 108.800 0.092 0.000 2.199 124 G HA2 -0.294 3.679 3.960 0.021 0.000 0.254 124 G HA3 -0.294 3.679 3.960 0.021 0.000 0.254 124 G C 0.027 174.996 174.900 0.115 0.000 0.982 124 G CA 0.618 45.751 45.100 0.054 0.000 0.632 124 G HN 0.982 nan 8.290 nan 0.000 0.529 125 S N -0.091 115.705 115.700 0.160 0.000 2.462 125 S HA 0.651 5.133 4.470 0.021 0.000 0.294 125 S C 0.061 174.785 174.600 0.207 0.000 1.144 125 S CA -0.582 57.711 58.200 0.156 0.000 1.088 125 S CB 1.169 64.435 63.200 0.110 0.000 1.009 125 S HN 1.220 nan 8.310 nan 0.000 0.484 126 L N 7.132 128.456 121.223 0.167 0.000 2.407 126 L HA 0.338 4.691 4.340 0.021 0.000 0.282 126 L C 0.527 177.357 176.870 -0.066 0.000 1.110 126 L CA 0.428 55.252 54.840 -0.025 0.000 0.863 126 L CB -0.276 41.772 42.059 -0.018 0.000 1.207 126 L HN 0.866 nan 8.230 nan 0.000 0.454 127 L N 4.748 125.917 121.223 -0.089 0.000 2.209 127 L HA 0.159 4.512 4.340 0.021 0.000 0.207 127 L C -0.004 176.810 176.870 -0.093 0.000 1.094 127 L CA 0.312 55.132 54.840 -0.034 0.000 0.790 127 L CB -0.067 42.015 42.059 0.039 0.000 0.932 127 L HN 0.559 nan 8.230 nan 0.000 0.447 128 L N -0.570 120.535 121.223 -0.195 0.000 2.592 128 L HA 0.319 4.672 4.340 0.021 0.000 0.258 128 L C -1.469 175.224 176.870 -0.296 0.000 0.926 128 L CA -0.457 54.232 54.840 -0.253 0.000 0.885 128 L CB 1.769 43.617 42.059 -0.351 0.000 1.380 128 L HN -0.111 nan 8.230 nan 0.000 0.415 129 K N 4.363 124.625 120.400 -0.230 0.000 2.357 129 K HA 0.753 5.085 4.320 0.021 0.000 0.251 129 K C -0.389 176.098 176.600 -0.189 0.000 1.069 129 K CA -0.415 55.769 56.287 -0.173 0.000 0.994 129 K CB 1.362 33.815 32.500 -0.077 0.000 1.411 129 K HN 0.700 nan 8.250 nan 0.000 0.450 130 A N 2.482 125.130 122.820 -0.287 0.000 2.371 130 A HA 0.181 4.513 4.320 0.021 0.000 0.257 130 A C 0.281 177.832 177.584 -0.055 0.000 1.089 130 A CA -0.151 51.691 52.037 -0.325 0.000 0.794 130 A CB 0.215 18.948 19.000 -0.445 0.000 1.029 130 A HN 0.832 nan 8.150 nan 0.000 0.488 131 D N 0.072 120.486 120.400 0.025 0.000 2.704 131 D HA 0.059 4.712 4.640 0.021 0.000 0.291 131 D C -0.786 175.448 176.300 -0.109 0.000 1.610 131 D CA -0.262 53.700 54.000 -0.062 0.000 0.807 131 D CB -0.432 40.448 40.800 0.133 0.000 1.233 131 D HN 0.280 nan 8.370 nan 0.000 0.445 132 N N 1.097 119.782 118.700 -0.024 0.000 2.599 132 N HA 0.149 4.901 4.740 0.021 0.000 0.283 132 N C 0.408 175.842 175.510 -0.126 0.000 1.160 132 N CA -0.274 52.719 53.050 -0.096 0.000 0.869 132 N CB 1.612 40.084 38.487 -0.025 0.000 1.448 132 N HN 0.012 nan 8.380 nan 0.000 0.535 133 M N 2.400 121.784 119.600 -0.360 0.000 2.202 133 M HA -0.076 4.417 4.480 0.021 0.000 0.262 133 M C 0.075 176.357 176.300 -0.030 0.000 1.063 133 M CA 1.825 56.927 55.300 -0.329 0.000 1.097 133 M CB 0.013 32.121 32.600 -0.819 0.000 1.382 133 M HN 0.392 nan 8.290 nan 0.000 0.413 134 F N -0.457 119.604 119.950 0.184 0.000 2.773 134 F HA 0.209 4.749 4.527 0.020 0.000 0.304 134 F C 0.247 176.041 175.800 -0.010 0.000 1.129 134 F CA -0.292 57.867 58.000 0.265 0.000 1.378 134 F CB -0.778 38.430 39.000 0.347 0.000 1.095 134 F HN -0.217 nan 8.300 nan 0.000 0.565 135 V N -0.099 119.715 119.914 -0.168 0.000 2.459 135 V HA 0.678 4.811 4.120 0.021 0.000 0.295 135 V C 0.628 176.051 176.094 -1.118 0.000 1.029 135 V CA -1.115 60.699 62.300 -0.810 0.000 0.874 135 V CB 1.268 32.611 31.823 -0.801 0.000 0.985 135 V HN 0.194 nan 8.190 nan 0.000 0.438 136 G N 3.071 110.794 108.800 -1.795 0.000 2.372 136 G HA2 0.537 4.510 3.960 0.021 0.000 0.283 136 G HA3 0.537 4.510 3.960 0.021 0.000 0.283 136 G C -1.453 173.084 174.900 -0.604 0.000 1.177 136 G CA -0.092 44.472 45.100 -0.894 0.000 0.842 136 G HN 0.508 nan 8.290 nan 0.000 0.503 137 Y N 0.193 120.458 120.300 -0.059 0.000 2.376 137 Y HA 0.478 5.040 4.550 0.020 0.000 0.340 137 Y C 0.496 176.446 175.900 0.084 0.000 0.965 137 Y CA -0.640 57.472 58.100 0.020 0.000 1.078 137 Y CB 2.759 41.263 38.460 0.073 0.000 1.193 137 Y HN 0.427 nan 8.280 nan 0.000 0.452 138 T N 5.485 120.162 114.554 0.205 0.000 2.786 138 T HA 0.649 5.012 4.350 0.021 0.000 0.283 138 T C -0.763 174.011 174.700 0.124 0.000 0.992 138 T CA -0.615 61.560 62.100 0.124 0.000 0.954 138 T CB 0.320 69.229 68.868 0.068 0.000 0.934 138 T HN 0.361 nan 8.240 nan 0.000 0.440 139 L N 5.639 126.927 121.223 0.108 0.000 2.356 139 L HA 0.468 4.821 4.340 0.021 0.000 0.277 139 L C -2.298 174.614 176.870 0.070 0.000 0.996 139 L CA -2.521 52.380 54.840 0.102 0.000 0.822 139 L CB 2.192 44.335 42.059 0.140 0.000 1.256 139 L HN 0.332 nan 8.230 nan 0.000 0.413 140 P HA 0.035 nan 4.420 nan 0.000 0.271 140 P C 0.330 177.661 177.300 0.053 0.000 1.233 140 P CA -0.054 63.083 63.100 0.061 0.000 0.764 140 P CB 1.380 33.117 31.700 0.062 0.000 0.825 141 V N 1.018 120.955 119.914 0.037 0.000 3.398 141 V HA 0.155 4.287 4.120 0.021 0.000 0.298 141 V C 2.033 178.155 176.094 0.047 0.000 1.496 141 V CA 0.153 62.484 62.300 0.051 0.000 1.044 141 V CB -0.428 31.434 31.823 0.065 0.000 0.880 141 V HN 0.308 nan 8.190 nan 0.000 0.443 142 K N 2.644 123.058 120.400 0.023 0.000 2.044 142 K HA -0.235 4.097 4.320 0.021 0.000 0.210 142 K C 2.219 178.845 176.600 0.042 0.000 1.049 142 K CA 2.495 58.799 56.287 0.027 0.000 0.927 142 K CB -0.255 32.243 32.500 -0.002 0.000 0.713 142 K HN 0.741 nan 8.250 nan 0.000 0.443 143 S N -0.498 115.223 115.700 0.036 0.000 2.515 143 S HA -0.039 4.444 4.470 0.021 0.000 0.231 143 S C 1.752 176.379 174.600 0.045 0.000 0.987 143 S CA 0.868 59.089 58.200 0.036 0.000 0.936 143 S CB 0.277 63.494 63.200 0.030 0.000 0.766 143 S HN 0.148 nan 8.310 nan 0.000 0.528 144 V N 0.950 120.899 119.914 0.058 0.000 2.992 144 V HA 0.312 4.444 4.120 0.021 0.000 0.250 144 V C 1.047 177.185 176.094 0.073 0.000 1.090 144 V CA 0.276 62.617 62.300 0.067 0.000 1.101 144 V CB -0.420 31.453 31.823 0.083 0.000 0.743 144 V HN 0.432 nan 8.190 nan 0.000 0.468 145 L N 0.722 121.995 121.223 0.085 0.000 2.452 145 L HA 0.302 4.654 4.340 0.021 0.000 0.267 145 L C 0.340 177.248 176.870 0.063 0.000 1.188 145 L CA 0.405 55.303 54.840 0.096 0.000 0.821 145 L CB 0.370 42.523 42.059 0.158 0.000 1.102 145 L HN 0.214 nan 8.230 nan 0.000 0.470 146 R N 0.924 121.445 120.500 0.035 0.000 2.807 146 R HA 0.346 4.699 4.340 0.021 0.000 0.276 146 R C -0.989 175.319 176.300 0.013 0.000 0.979 146 R CA -1.110 55.001 56.100 0.018 0.000 0.928 146 R CB 1.837 32.137 30.300 -0.001 0.000 1.191 146 R HN 0.359 nan 8.270 nan 0.000 0.471 147 K N 1.252 121.660 120.400 0.014 0.000 2.447 147 K HA 0.238 4.571 4.320 0.021 0.000 0.281 147 K C 0.397 176.988 176.600 -0.015 0.000 1.031 147 K CA 1.290 57.581 56.287 0.006 0.000 1.019 147 K CB 0.187 32.690 32.500 0.005 0.000 0.918 147 K HN 0.728 nan 8.250 nan 0.000 0.476 148 G N 2.939 111.726 108.800 -0.022 0.000 2.481 148 G HA2 -0.235 3.737 3.960 0.021 0.000 0.230 148 G HA3 -0.235 3.737 3.960 0.021 0.000 0.230 148 G C -0.889 173.953 174.900 -0.097 0.000 1.210 148 G CA -0.431 44.643 45.100 -0.043 0.000 0.936 148 G HN 0.678 nan 8.290 nan 0.000 0.583 149 E N 1.468 121.590 120.200 -0.131 0.000 2.360 149 E HA 0.304 4.666 4.350 0.021 0.000 0.269 149 E C -0.152 176.185 176.600 -0.438 0.000 1.022 149 E CA -0.044 56.192 56.400 -0.273 0.000 0.887 149 E CB 0.297 29.875 29.700 -0.203 0.000 0.990 149 E HN 0.408 nan 8.360 nan 0.000 0.426 150 N N 1.942 120.175 118.700 -0.778 0.000 2.225 150 N HA 0.290 5.042 4.740 0.021 0.000 0.298 150 N C -1.225 173.633 175.510 -1.087 0.000 1.076 150 N CA -0.586 51.935 53.050 -0.882 0.000 0.792 150 N CB 1.615 39.439 38.487 -1.106 0.000 1.498 150 N HN 0.402 nan 8.380 nan 0.000 0.474 151 H N 1.568 120.473 119.070 -0.274 0.000 2.646 151 H HA 0.272 4.841 4.556 0.021 0.000 0.328 151 H C -0.785 174.614 175.328 0.119 0.000 0.998 151 H CA -0.570 55.442 56.048 -0.060 0.000 1.225 151 H CB 2.303 32.120 29.762 0.091 0.000 1.457 151 H HN 0.315 nan 8.280 nan 0.000 0.505 152 L N 4.400 125.757 121.223 0.223 0.000 2.272 152 L HA 0.349 4.702 4.340 0.021 0.000 0.289 152 L C -1.525 175.572 176.870 0.379 0.000 1.032 152 L CA -0.423 54.630 54.840 0.355 0.000 0.810 152 L CB 0.341 42.616 42.059 0.361 0.000 1.205 152 L HN 0.395 nan 8.230 nan 0.000 0.422 153 Y N 5.089 125.609 120.300 0.366 0.000 2.462 153 Y HA 0.690 5.253 4.550 0.022 0.000 0.346 153 Y C -0.390 175.798 175.900 0.481 0.000 0.976 153 Y CA -0.726 57.632 58.100 0.430 0.000 1.044 153 Y CB 2.028 40.704 38.460 0.361 0.000 1.230 153 Y HN 0.395 nan 8.280 nan 0.000 0.455 154 I N 3.248 124.196 120.570 0.630 0.000 2.534 154 I HA 0.210 4.393 4.170 0.021 0.000 0.288 154 I C -1.608 174.729 176.117 0.366 0.000 1.077 154 I CA -0.966 60.547 61.300 0.356 0.000 1.051 154 I CB 2.164 40.243 38.000 0.132 0.000 1.234 154 I HN 0.539 nan 8.210 nan 0.000 0.425 155 Y N 6.376 126.736 120.300 0.100 0.000 2.385 155 Y HA 0.480 5.043 4.550 0.021 0.000 0.341 155 Y C -0.984 174.806 175.900 -0.184 0.000 0.965 155 Y CA -0.504 57.638 58.100 0.071 0.000 1.180 155 Y CB 0.712 39.219 38.460 0.078 0.000 1.139 155 Y HN 0.347 nan 8.280 nan 0.000 0.502 156 F N 5.517 125.469 119.950 0.004 0.000 2.375 156 F HA 0.228 4.767 4.527 0.021 0.000 0.362 156 F C 0.495 176.320 175.800 0.042 0.000 1.129 156 F CA -0.550 57.514 58.000 0.105 0.000 1.154 156 F CB 0.131 39.244 39.000 0.189 0.000 1.205 156 F HN 0.442 nan 8.300 nan 0.000 0.513 157 H N 1.229 120.576 119.070 0.462 0.000 2.848 157 H HA -0.030 4.539 4.556 0.021 0.000 0.341 157 H C 0.603 176.139 175.328 0.347 0.000 1.060 157 H CA -0.144 56.148 56.048 0.407 0.000 1.444 157 H CB 1.156 31.115 29.762 0.329 0.000 1.446 157 H HN 0.505 nan 8.280 nan 0.000 0.583 158 S N 4.939 120.854 115.700 0.358 0.000 2.596 158 S HA -0.032 4.451 4.470 0.021 0.000 0.298 158 S C -1.055 173.717 174.600 0.287 0.000 1.255 158 S CA -1.185 57.190 58.200 0.292 0.000 1.083 158 S CB 0.543 63.868 63.200 0.208 0.000 0.837 158 S HN 0.537 nan 8.310 nan 0.000 0.499 159 P HA -0.102 nan 4.420 nan 0.000 0.222 159 P C 1.476 178.923 177.300 0.246 0.000 1.147 159 P CA 0.680 64.017 63.100 0.395 0.000 0.790 159 P CB -0.023 31.906 31.700 0.381 0.000 0.780 160 I N 1.632 122.308 120.570 0.177 0.000 2.110 160 I HA -0.191 3.991 4.170 0.021 0.000 0.236 160 I C 2.803 178.959 176.117 0.064 0.000 1.068 160 I CA 1.716 63.083 61.300 0.111 0.000 1.333 160 I CB -1.853 36.201 38.000 0.090 0.000 1.054 160 I HN 0.056 nan 8.210 nan 0.000 0.402 161 R N 1.668 122.216 120.500 0.080 0.000 2.152 161 R HA -0.217 4.136 4.340 0.021 0.000 0.232 161 R C 2.020 178.318 176.300 -0.005 0.000 1.117 161 R CA 1.664 57.794 56.100 0.051 0.000 0.981 161 R CB -0.890 29.459 30.300 0.082 0.000 0.870 161 R HN 0.344 nan 8.270 nan 0.000 0.451 162 Q N 0.626 120.401 119.800 -0.042 0.000 2.172 162 Q HA -0.056 4.296 4.340 0.021 0.000 0.200 162 Q C 1.431 177.293 176.000 -0.231 0.000 0.964 162 Q CA 2.050 57.724 55.803 -0.214 0.000 0.855 162 Q CB 0.042 28.497 28.738 -0.473 0.000 0.918 162 Q HN 0.613 nan 8.270 nan 0.000 0.444 163 T N -2.981 111.497 114.554 -0.127 0.000 3.069 163 T HA 0.202 4.565 4.350 0.021 0.000 0.252 163 T C 1.584 176.224 174.700 -0.101 0.000 1.053 163 T CA -0.095 61.937 62.100 -0.114 0.000 0.964 163 T CB -0.098 68.792 68.868 0.037 0.000 1.005 163 T HN 0.201 nan 8.240 nan 0.000 0.532 164 L N 1.547 122.740 121.223 -0.051 0.000 2.021 164 L HA -0.037 4.316 4.340 0.021 0.000 0.215 164 L C -0.190 176.674 176.870 -0.009 0.000 1.074 164 L CA 1.724 56.558 54.840 -0.011 0.000 0.760 164 L CB -1.465 40.596 42.059 0.004 0.000 0.889 164 L HN 0.289 nan 8.230 nan 0.000 0.433 165 P HA -0.153 nan 4.420 nan 0.000 0.227 165 P C 1.409 178.617 177.300 -0.154 0.000 1.161 165 P CA 1.078 64.128 63.100 -0.083 0.000 0.788 165 P CB 0.078 31.728 31.700 -0.084 0.000 0.822 166 Q N -0.718 118.938 119.800 -0.240 0.000 2.046 166 Q HA -0.206 4.146 4.340 0.021 0.000 0.200 166 Q C 2.261 177.926 176.000 -0.559 0.000 0.975 166 Q CA 1.267 56.816 55.803 -0.423 0.000 0.836 166 Q CB -0.639 27.766 28.738 -0.555 0.000 0.896 166 Q HN 0.135 nan 8.270 nan 0.000 0.428 167 Y N 0.155 120.095 120.300 -0.599 0.000 2.181 167 Y HA -0.158 4.404 4.550 0.021 0.000 0.288 167 Y C 1.977 177.763 175.900 -0.191 0.000 1.146 167 Y CA 1.639 59.515 58.100 -0.374 0.000 1.164 167 Y CB -0.469 37.915 38.460 -0.128 0.000 0.982 167 Y HN 0.207 nan 8.280 nan 0.000 0.515 168 A N -0.286 122.439 122.820 -0.159 0.000 1.969 168 A HA -0.158 4.175 4.320 0.021 0.000 0.218 168 A C 2.384 179.836 177.584 -0.221 0.000 1.169 168 A CA 1.806 53.733 52.037 -0.184 0.000 0.635 168 A CB -1.246 17.731 19.000 -0.038 0.000 0.810 168 A HN 0.608 nan 8.150 nan 0.000 0.445 169 S N -0.137 115.436 115.700 -0.211 0.000 2.481 169 S HA -0.124 4.359 4.470 0.021 0.000 0.231 169 S C 1.590 176.078 174.600 -0.187 0.000 0.996 169 S CA 1.243 59.341 58.200 -0.169 0.000 0.942 169 S CB -0.547 62.567 63.200 -0.142 0.000 0.768 169 S HN 0.565 nan 8.310 nan 0.000 0.520 170 N N 1.491 120.019 118.700 -0.287 0.000 2.270 170 N HA 0.113 4.866 4.740 0.021 0.000 0.181 170 N C 1.427 176.776 175.510 -0.268 0.000 1.016 170 N CA 1.299 54.172 53.050 -0.296 0.000 0.870 170 N CB -0.501 37.776 38.487 -0.351 0.000 0.979 170 N HN 0.618 nan 8.380 nan 0.000 0.431 171 G N -1.315 107.334 108.800 -0.251 0.000 2.184 171 G HA2 -0.247 3.726 3.960 0.021 0.000 0.264 171 G HA3 -0.247 3.726 3.960 0.021 0.000 0.264 171 G C 0.069 175.012 174.900 0.070 0.000 0.975 171 G CA 0.917 45.974 45.100 -0.071 0.000 0.642 171 G HN 0.569 nan 8.290 nan 0.000 0.536 172 F N -1.921 117.955 119.950 -0.124 0.000 2.713 172 F HA 0.760 5.300 4.527 0.021 0.000 0.311 172 F C -1.037 174.762 175.800 -0.002 0.000 1.141 172 F CA -1.787 56.201 58.000 -0.021 0.000 0.939 172 F CB 0.935 39.951 39.000 0.027 0.000 1.325 172 F HN 0.014 nan 8.300 nan 0.000 0.453 173 N N 1.162 120.060 118.700 0.330 0.000 2.444 173 N HA 0.310 5.062 4.740 0.021 0.000 0.262 173 N C -1.412 174.391 175.510 0.489 0.000 0.974 173 N CA -0.557 52.724 53.050 0.385 0.000 0.933 173 N CB 0.460 39.157 38.487 0.350 0.000 1.137 173 N HN 0.644 nan 8.380 nan 0.000 0.498 174 Y N 2.987 123.441 120.300 0.258 0.000 2.788 174 Y HA 0.033 4.595 4.550 0.021 0.000 0.341 174 Y C -1.164 174.899 175.900 0.271 0.000 1.258 174 Y CA -0.588 57.614 58.100 0.171 0.000 1.503 174 Y CB 0.520 38.894 38.460 -0.145 0.000 1.325 174 Y HN 0.500 nan 8.280 nan 0.000 0.614 175 P HA 0.163 nan 4.420 nan 0.000 0.212 175 P C -0.953 176.299 177.300 -0.081 0.000 1.816 175 P CA 0.005 63.138 63.100 0.055 0.000 0.944 175 P CB -0.309 31.139 31.700 -0.420 0.000 1.896 176 A N 1.168 123.854 122.820 -0.224 0.000 3.016 176 A HA 0.223 4.556 4.320 0.021 0.000 0.303 176 A C 0.982 178.129 177.584 -0.729 0.000 1.507 176 A CA -0.327 51.473 52.037 -0.396 0.000 1.196 176 A CB -0.361 18.421 19.000 -0.364 0.000 1.169 176 A HN 0.014 nan 8.150 nan 0.000 0.544 177 D N 0.646 120.800 120.400 -0.410 0.000 2.263 177 D HA -0.118 4.534 4.640 0.021 0.000 0.208 177 D C 1.217 177.339 176.300 -0.297 0.000 0.971 177 D CA 0.981 54.796 54.000 -0.308 0.000 0.867 177 D CB 0.153 40.875 40.800 -0.130 0.000 0.929 177 D HN 0.503 nan 8.370 nan 0.000 0.492 178 N N 0.854 119.238 118.700 -0.526 0.000 2.494 178 N HA -0.097 4.655 4.740 0.021 0.000 0.182 178 N C 0.128 175.287 175.510 -0.585 0.000 1.076 178 N CA 0.379 52.963 53.050 -0.775 0.000 0.908 178 N CB 0.146 37.499 38.487 -1.889 0.000 0.967 178 N HN 0.160 nan 8.380 nan 0.000 0.449 179 D N 0.746 120.932 120.400 -0.358 0.000 2.352 179 D HA 0.002 4.654 4.640 0.021 0.000 0.245 179 D C -0.430 175.952 176.300 0.136 0.000 1.224 179 D CA -0.137 53.790 54.000 -0.122 0.000 0.879 179 D CB -0.177 40.532 40.800 -0.150 0.000 1.057 179 D HN 0.255 nan 8.370 nan 0.000 0.491 180 H N 4.284 123.419 119.070 0.109 0.000 2.799 180 H HA 0.135 4.704 4.556 0.021 0.000 0.225 180 H C -0.046 175.386 175.328 0.173 0.000 1.904 180 H CA -0.250 55.855 56.048 0.095 0.000 1.344 180 H CB 0.076 29.849 29.762 0.018 0.000 1.744 180 H HN 0.324 nan 8.280 nan 0.000 0.542 181 H N 0.892 120.100 119.070 0.230 0.000 3.064 181 H HA -0.020 4.548 4.556 0.021 0.000 0.352 181 H C 0.700 176.063 175.328 0.059 0.000 1.260 181 H CA -0.521 55.603 56.048 0.127 0.000 1.160 181 H CB 1.555 31.390 29.762 0.121 0.000 1.879 181 H HN 0.624 nan 8.280 nan 0.000 0.544 182 E N 2.144 122.365 120.200 0.035 0.000 2.110 182 E HA -0.086 4.277 4.350 0.021 0.000 0.193 182 E C -0.465 176.086 176.600 -0.083 0.000 0.988 182 E CA 0.997 57.402 56.400 0.007 0.000 0.804 182 E CB 0.222 29.902 29.700 -0.033 0.000 0.745 182 E HN 0.254 nan 8.360 nan 0.000 0.458 183 K N 1.068 121.549 120.400 0.135 0.000 2.234 183 K HA 0.238 4.570 4.320 0.021 0.000 0.277 183 K C -1.228 175.173 176.600 -0.331 0.000 1.038 183 K CA -0.347 55.664 56.287 -0.461 0.000 0.888 183 K CB 0.946 32.937 32.500 -0.848 0.000 1.091 183 K HN 0.256 nan 8.250 nan 0.000 0.467 184 H N 3.622 122.633 119.070 -0.097 0.000 2.982 184 H HA 0.073 4.641 4.556 0.021 0.000 0.261 184 H C 0.717 175.988 175.328 -0.094 0.000 1.603 184 H CA -0.350 55.658 56.048 -0.065 0.000 1.398 184 H CB 0.049 29.806 29.762 -0.009 0.000 1.693 184 H HN 0.388 nan 8.280 nan 0.000 0.535 185 L N 1.121 122.323 121.223 -0.036 0.000 2.509 185 L HA -0.062 4.291 4.340 0.021 0.000 0.222 185 L C 2.307 179.135 176.870 -0.070 0.000 1.123 185 L CA 0.314 55.209 54.840 0.093 0.000 0.856 185 L CB -0.101 41.992 42.059 0.055 0.000 0.985 185 L HN 0.571 nan 8.230 nan 0.000 0.456 186 S N 0.451 115.827 115.700 -0.540 0.000 2.383 186 S HA -0.169 4.313 4.470 0.021 0.000 0.229 186 S C 1.946 176.343 174.600 -0.338 0.000 1.030 186 S CA 1.290 58.931 58.200 -0.932 0.000 1.002 186 S CB -1.023 61.437 63.200 -1.233 0.000 0.829 186 S HN 0.342 nan 8.310 nan 0.000 0.467 187 V N -1.783 117.863 119.914 -0.447 0.000 2.759 187 V HA 0.057 4.190 4.120 0.021 0.000 0.256 187 V C 1.967 177.806 176.094 -0.424 0.000 1.080 187 V CA 1.157 63.126 62.300 -0.550 0.000 1.101 187 V CB -1.547 29.571 31.823 -1.174 0.000 0.698 187 V HN 0.395 nan 8.190 nan 0.000 0.477 188 F N 1.157 121.066 119.950 -0.068 0.000 2.615 188 F HA 0.278 4.818 4.527 0.020 0.000 0.297 188 F C 1.409 177.383 175.800 0.290 0.000 1.124 188 F CA 0.323 58.350 58.000 0.046 0.000 1.451 188 F CB -0.353 38.669 39.000 0.036 0.000 1.103 188 F HN 0.076 nan 8.300 nan 0.000 0.569 189 S N 0.800 116.755 115.700 0.426 0.000 2.475 189 S HA 0.435 4.917 4.470 0.021 0.000 0.298 189 S C 0.105 174.885 174.600 0.302 0.000 1.119 189 S CA -0.869 57.574 58.200 0.405 0.000 1.085 189 S CB 1.212 64.661 63.200 0.414 0.000 1.028 189 S HN -0.049 nan 8.310 nan 0.000 0.489 190 R N 3.126 123.726 120.500 0.167 0.000 2.608 190 R HA 0.314 4.666 4.340 0.021 0.000 0.277 190 R C -0.115 175.996 176.300 -0.315 0.000 1.341 190 R CA -0.055 56.082 56.100 0.063 0.000 1.199 190 R CB -0.846 29.488 30.300 0.056 0.000 1.156 190 R HN 0.595 nan 8.270 nan 0.000 0.558 191 K N -0.250 120.039 120.400 -0.184 0.000 2.542 191 K HA 0.428 4.761 4.320 0.021 0.000 0.259 191 K C -1.063 175.589 176.600 0.085 0.000 0.932 191 K CA -0.661 55.451 56.287 -0.292 0.000 0.820 191 K CB 1.922 34.385 32.500 -0.061 0.000 1.345 191 K HN 0.352 nan 8.250 nan 0.000 0.432 192 A N 5.078 127.925 122.820 0.046 0.000 2.540 192 A HA 0.081 4.413 4.320 0.021 0.000 0.268 192 A C -1.928 175.850 177.584 0.324 0.000 1.061 192 A CA -0.542 51.675 52.037 0.299 0.000 0.821 192 A CB -0.455 18.700 19.000 0.259 0.000 0.970 192 A HN 0.650 nan 8.150 nan 0.000 0.524 193 P HA -0.230 nan 4.420 nan 0.000 0.216 193 P C 1.228 178.779 177.300 0.420 0.000 1.150 193 P CA 1.967 65.265 63.100 0.330 0.000 0.843 193 P CB -0.140 31.668 31.700 0.180 0.000 0.787 194 Y N -0.792 119.579 120.300 0.118 0.000 2.574 194 Y HA -0.067 4.495 4.550 0.020 0.000 0.294 194 Y C 1.936 177.920 175.900 0.141 0.000 1.142 194 Y CA 0.819 59.020 58.100 0.168 0.000 1.314 194 Y CB -1.264 37.310 38.460 0.190 0.000 0.991 194 Y HN -0.036 nan 8.280 nan 0.000 0.555 195 S N -0.908 114.478 115.700 -0.523 0.000 2.481 195 S HA -0.152 4.330 4.470 0.021 0.000 0.231 195 S C 1.051 175.384 174.600 -0.444 0.000 0.996 195 S CA 0.508 58.267 58.200 -0.734 0.000 0.942 195 S CB -1.057 61.760 63.200 -0.637 0.000 0.768 195 S HN 0.656 nan 8.310 nan 0.000 0.520 196 Y N 2.461 122.646 120.300 -0.192 0.000 2.490 196 Y HA 0.443 5.006 4.550 0.021 0.000 0.281 196 Y C 1.505 177.286 175.900 -0.199 0.000 1.174 196 Y CA 0.190 58.216 58.100 -0.123 0.000 1.295 196 Y CB -0.030 38.410 38.460 -0.033 0.000 1.062 196 Y HN 0.577 nan 8.280 nan 0.000 0.522 197 G N -0.943 107.782 108.800 -0.125 0.000 2.440 197 G HA2 0.008 3.981 3.960 0.021 0.000 0.684 197 G HA3 0.008 3.981 3.960 0.021 0.000 0.684 197 G C -1.598 173.128 174.900 -0.289 0.000 1.309 197 G CA -0.858 44.019 45.100 -0.371 0.000 0.931 197 G HN 0.119 nan 8.290 nan 0.000 0.612 198 W N -0.262 120.647 121.300 -0.652 0.000 2.926 198 W HA 0.299 4.972 4.660 0.021 0.000 0.361 198 W C 0.076 176.368 176.519 -0.378 0.000 1.195 198 W CA 0.378 57.352 57.345 -0.617 0.000 1.177 198 W CB 1.120 29.962 29.460 -1.030 0.000 1.453 198 W HN 0.853 nan 8.180 nan 0.000 0.571 199 D N -0.283 119.888 120.400 -0.382 0.000 2.392 199 D HA -0.134 4.518 4.640 0.021 0.000 0.228 199 D C 0.985 177.491 176.300 0.343 0.000 1.003 199 D CA 0.995 55.006 54.000 0.018 0.000 0.917 199 D CB -0.478 40.354 40.800 0.054 0.000 0.890 199 D HN 0.420 nan 8.370 nan 0.000 0.532 200 W N -1.364 120.306 121.300 0.616 0.000 2.284 200 W HA 0.592 5.264 4.660 0.021 0.000 0.334 200 W C -0.171 176.695 176.519 0.578 0.000 0.917 200 W CA -0.835 56.821 57.345 0.520 0.000 1.621 200 W CB 0.095 29.863 29.460 0.514 0.000 1.129 200 W HN -0.006 nan 8.180 nan 0.000 0.528 201 G N 2.121 111.211 108.800 0.484 0.000 2.566 201 G HA2 0.520 4.492 3.960 0.021 0.000 0.311 201 G HA3 0.520 4.492 3.960 0.021 0.000 0.311 201 G C -1.277 173.521 174.900 -0.169 0.000 1.322 201 G CA -0.876 44.412 45.100 0.313 0.000 0.969 201 G HN 0.138 nan 8.290 nan 0.000 0.490 202 I N 1.204 121.187 120.570 -0.979 0.000 2.634 202 I HA 0.305 4.487 4.170 0.021 0.000 0.284 202 I C 0.803 176.613 176.117 -0.511 0.000 1.124 202 I CA -0.813 59.873 61.300 -1.025 0.000 1.417 202 I CB 0.646 37.611 38.000 -1.725 0.000 1.396 202 I HN 0.407 nan 8.210 nan 0.000 0.571 203 R N 8.420 128.727 120.500 -0.322 0.000 2.242 203 R HA 0.352 4.705 4.340 0.021 0.000 0.334 203 R C -1.247 174.866 176.300 -0.313 0.000 1.071 203 R CA -0.049 55.902 56.100 -0.248 0.000 0.922 203 R CB 0.320 30.570 30.300 -0.084 0.000 1.023 203 R HN 0.687 nan 8.270 nan 0.000 0.458 204 M N 5.644 124.992 119.600 -0.420 0.000 1.988 204 M HA 0.158 4.650 4.480 0.021 0.000 0.243 204 M C -0.946 175.018 176.300 -0.560 0.000 0.897 204 M CA -0.590 54.388 55.300 -0.536 0.000 0.935 204 M CB 2.114 34.330 32.600 -0.639 0.000 1.956 204 M HN 0.217 nan 8.290 nan 0.000 0.389 205 V N 1.609 121.268 119.914 -0.425 0.000 2.229 205 V HA 0.081 4.214 4.120 0.021 0.000 0.245 205 V C 0.788 176.727 176.094 -0.259 0.000 1.243 205 V CA 0.339 62.367 62.300 -0.454 0.000 1.176 205 V CB 0.036 31.582 31.823 -0.461 0.000 1.323 205 V HN 0.730 nan 8.190 nan 0.000 0.499 206 T N 2.969 117.334 114.554 -0.315 0.000 2.810 206 T HA 0.606 4.969 4.350 0.021 0.000 0.277 206 T C 0.209 174.780 174.700 -0.215 0.000 0.973 206 T CA -0.138 61.858 62.100 -0.174 0.000 0.949 206 T CB 1.244 69.966 68.868 -0.242 0.000 1.075 206 T HN 0.624 nan 8.240 nan 0.000 0.537 207 S N -1.114 114.426 115.700 -0.267 0.000 2.671 207 S HA 0.887 5.369 4.470 0.021 0.000 0.277 207 S C -0.276 173.945 174.600 -0.631 0.000 1.165 207 S CA -0.195 57.784 58.200 -0.368 0.000 0.822 207 S CB 1.667 64.718 63.200 -0.247 0.000 1.150 207 S HN 1.358 nan 8.310 nan 0.000 0.479 208 G N -0.432 107.709 108.800 -1.098 0.000 2.351 208 G HA2 0.197 4.169 3.960 0.021 0.000 0.353 208 G HA3 0.197 4.169 3.960 0.021 0.000 0.353 208 G C -1.627 172.923 174.900 -0.584 0.000 1.358 208 G CA -0.762 43.604 45.100 -1.222 0.000 0.995 208 G HN 0.891 nan 8.290 nan 0.000 0.611 209 V N 2.486 122.120 119.914 -0.466 0.000 2.287 209 V HA 0.185 4.317 4.120 0.021 0.000 0.246 209 V C 1.446 177.504 176.094 -0.060 0.000 1.165 209 V CA 0.467 62.700 62.300 -0.113 0.000 1.088 209 V CB -0.437 31.193 31.823 -0.322 0.000 1.242 209 V HN 0.802 nan 8.190 nan 0.000 0.497 210 W N 5.104 126.333 121.300 -0.119 0.000 3.256 210 W HA 0.333 5.005 4.660 0.020 0.000 0.269 210 W C 0.294 176.810 176.519 -0.006 0.000 1.310 210 W CA -0.588 56.706 57.345 -0.086 0.000 1.673 210 W CB 0.082 29.504 29.460 -0.062 0.000 1.115 210 W HN 0.347 nan 8.180 nan 0.000 0.686 211 R N -0.087 120.192 120.500 -0.368 0.000 2.817 211 R HA 0.412 4.764 4.340 0.021 0.000 0.268 211 R C -2.621 173.579 176.300 -0.168 0.000 1.027 211 R CA -1.899 53.971 56.100 -0.384 0.000 0.928 211 R CB 1.637 31.529 30.300 -0.680 0.000 1.228 211 R HN -0.384 nan 8.270 nan 0.000 0.469 212 P HA 0.153 nan 4.420 nan 0.000 0.274 212 P C -1.022 176.250 177.300 -0.046 0.000 1.246 212 P CA -0.379 62.689 63.100 -0.053 0.000 0.795 212 P CB 0.624 32.300 31.700 -0.041 0.000 1.006 213 V N 0.711 120.604 119.914 -0.035 0.000 2.540 213 V HA 0.630 4.763 4.120 0.021 0.000 0.302 213 V C 0.045 176.051 176.094 -0.147 0.000 1.035 213 V CA -0.355 61.851 62.300 -0.157 0.000 0.873 213 V CB 1.709 33.511 31.823 -0.035 0.000 0.992 213 V HN 0.770 nan 8.190 nan 0.000 0.428 214 T N 2.357 116.774 114.554 -0.229 0.000 2.903 214 T HA 0.775 5.138 4.350 0.021 0.000 0.299 214 T C -1.419 173.138 174.700 -0.238 0.000 1.093 214 T CA -0.735 61.262 62.100 -0.172 0.000 1.002 214 T CB 1.992 70.796 68.868 -0.107 0.000 1.127 214 T HN 0.331 nan 8.240 nan 0.000 0.488 215 L N 1.608 122.696 121.223 -0.225 0.000 2.333 215 L HA 0.649 5.002 4.340 0.021 0.000 0.280 215 L C -0.156 176.544 176.870 -0.283 0.000 1.004 215 L CA -0.825 53.813 54.840 -0.336 0.000 0.820 215 L CB 1.516 43.319 42.059 -0.426 0.000 1.247 215 L HN 0.852 nan 8.230 nan 0.000 0.416 216 R N 4.746 125.051 120.500 -0.326 0.000 2.337 216 R HA 0.441 4.794 4.340 0.021 0.000 0.319 216 R C -1.581 174.632 176.300 -0.144 0.000 0.954 216 R CA -0.484 55.544 56.100 -0.121 0.000 0.840 216 R CB 0.591 30.858 30.300 -0.055 0.000 1.164 216 R HN 0.458 nan 8.270 nan 0.000 0.472 217 F N 6.013 126.034 119.950 0.118 0.000 2.411 217 F HA 0.326 4.865 4.527 0.020 0.000 0.355 217 F C 0.071 175.983 175.800 0.186 0.000 1.117 217 F CA -0.418 57.649 58.000 0.111 0.000 1.139 217 F CB 0.597 39.621 39.000 0.040 0.000 1.120 217 F HN 0.448 nan 8.300 nan 0.000 0.493 218 Y N -0.644 119.731 120.300 0.124 0.000 2.689 218 Y HA 0.681 5.243 4.550 0.020 0.000 0.333 218 Y C -1.583 174.350 175.900 0.056 0.000 1.190 218 Y CA -1.600 56.544 58.100 0.073 0.000 1.063 218 Y CB 1.288 39.767 38.460 0.031 0.000 1.294 218 Y HN 0.314 nan 8.280 nan 0.000 0.466 219 D N 1.714 122.197 120.400 0.139 0.000 2.342 219 D HA 0.411 5.064 4.640 0.021 0.000 0.243 219 D C 0.590 176.984 176.300 0.158 0.000 1.019 219 D CA -0.106 53.914 54.000 0.033 0.000 0.864 219 D CB 2.151 42.974 40.800 0.039 0.000 1.315 219 D HN 0.751 nan 8.370 nan 0.000 0.468 220 I N -0.548 120.064 120.570 0.069 0.000 4.713 220 I HA -0.369 3.814 4.170 0.021 0.000 0.044 220 I C 0.481 176.713 176.117 0.192 0.000 0.627 220 I CA 1.680 63.040 61.300 0.100 0.000 0.714 220 I CB -1.896 36.151 38.000 0.078 0.000 0.668 220 I HN 0.660 nan 8.210 nan 0.000 0.156 221 A N 0.048 123.040 122.820 0.287 0.000 2.599 221 A HA 0.792 5.125 4.320 0.021 0.000 0.290 221 A C -0.219 177.365 177.584 -0.001 0.000 1.101 221 A CA 0.445 52.601 52.037 0.198 0.000 0.674 221 A CB 1.662 20.701 19.000 0.064 0.000 1.277 221 A HN 0.720 nan 8.150 nan 0.000 0.419 222 T N -1.422 113.007 114.554 -0.209 0.000 2.916 222 T HA 0.710 5.073 4.350 0.021 0.000 0.292 222 T C -0.598 173.998 174.700 -0.172 0.000 1.055 222 T CA -0.455 61.443 62.100 -0.337 0.000 1.009 222 T CB 1.052 69.573 68.868 -0.578 0.000 1.118 222 T HN 0.527 nan 8.240 nan 0.000 0.497 223 I N 3.074 123.559 120.570 -0.141 0.000 2.291 223 I HA 0.165 4.348 4.170 0.021 0.000 0.292 223 I C 1.648 177.726 176.117 -0.065 0.000 1.064 223 I CA -0.393 60.856 61.300 -0.084 0.000 1.269 223 I CB 1.195 39.147 38.000 -0.080 0.000 1.418 223 I HN 0.947 nan 8.210 nan 0.000 0.485 224 S N 2.787 118.458 115.700 -0.047 0.000 2.453 224 S HA -0.021 4.461 4.470 0.021 0.000 0.231 224 S C 0.346 174.954 174.600 0.012 0.000 1.005 224 S CA 0.277 58.461 58.200 -0.026 0.000 0.949 224 S CB -0.114 63.075 63.200 -0.019 0.000 0.774 224 S HN 0.715 nan 8.310 nan 0.000 0.510 225 D N -0.980 119.451 120.400 0.051 0.000 2.886 225 D HA 0.405 5.057 4.640 0.021 0.000 0.216 225 D C -2.160 174.277 176.300 0.229 0.000 1.256 225 D CA -0.541 53.526 54.000 0.111 0.000 0.844 225 D CB 1.236 42.089 40.800 0.089 0.000 1.669 225 D HN 0.098 nan 8.370 nan 0.000 0.513 226 Y N 4.254 124.628 120.300 0.123 0.000 2.326 226 Y HA 0.527 5.090 4.550 0.020 0.000 0.329 226 Y C -2.198 173.900 175.900 0.331 0.000 0.973 226 Y CA -1.201 57.007 58.100 0.180 0.000 1.162 226 Y CB 0.653 39.156 38.460 0.073 0.000 1.147 226 Y HN 0.391 nan 8.280 nan 0.000 0.456 227 Y N 6.077 126.452 120.300 0.126 0.000 2.350 227 Y HA 0.651 5.213 4.550 0.021 0.000 0.338 227 Y C -1.643 174.136 175.900 -0.202 0.000 0.961 227 Y CA -1.924 56.102 58.100 -0.122 0.000 1.100 227 Y CB 1.498 39.948 38.460 -0.018 0.000 1.179 227 Y HN 0.318 nan 8.280 nan 0.000 0.454 228 V N 8.106 127.782 119.914 -0.397 0.000 2.294 228 V HA 0.430 4.562 4.120 0.021 0.000 0.272 228 V C -0.030 175.669 176.094 -0.659 0.000 1.027 228 V CA -0.728 61.253 62.300 -0.533 0.000 0.823 228 V CB 0.759 32.161 31.823 -0.701 0.000 1.030 228 V HN 0.694 nan 8.190 nan 0.000 0.457 229 R N 4.231 124.297 120.500 -0.723 0.000 2.229 229 R HA 0.369 4.722 4.340 0.021 0.000 0.328 229 R C -0.108 175.991 176.300 -0.334 0.000 1.009 229 R CA -0.517 55.170 56.100 -0.689 0.000 0.864 229 R CB 1.092 30.939 30.300 -0.755 0.000 1.085 229 R HN 0.784 nan 8.270 nan 0.000 0.453 230 Q N 4.719 124.375 119.800 -0.241 0.000 2.293 230 Q HA 0.090 4.442 4.340 0.021 0.000 0.263 230 Q C 0.236 176.171 176.000 -0.108 0.000 1.002 230 Q CA -0.114 55.597 55.803 -0.153 0.000 0.910 230 Q CB 1.091 29.755 28.738 -0.124 0.000 1.185 230 Q HN 0.798 nan 8.270 nan 0.000 0.401 231 L N 2.278 123.451 121.223 -0.083 0.000 2.202 231 L HA 0.126 4.478 4.340 0.021 0.000 0.205 231 L C 0.441 177.288 176.870 -0.039 0.000 1.083 231 L CA 0.436 55.241 54.840 -0.059 0.000 0.790 231 L CB 0.113 42.142 42.059 -0.050 0.000 0.942 231 L HN 0.745 nan 8.230 nan 0.000 0.452 232 S N -1.030 114.651 115.700 -0.032 0.000 2.578 232 S HA 0.575 5.057 4.470 0.021 0.000 0.272 232 S C -1.369 173.225 174.600 -0.011 0.000 1.145 232 S CA -0.835 57.355 58.200 -0.017 0.000 0.835 232 S CB 2.304 65.498 63.200 -0.011 0.000 1.104 232 S HN -0.037 nan 8.310 nan 0.000 0.458 233 L N 1.972 123.197 121.223 0.002 0.000 2.476 233 L HA 0.842 5.195 4.340 0.021 0.000 0.269 233 L C -0.338 176.546 176.870 0.024 0.000 0.965 233 L CA 0.430 55.278 54.840 0.014 0.000 0.845 233 L CB 1.809 43.882 42.059 0.023 0.000 1.259 233 L HN 1.259 nan 8.230 nan 0.000 0.403 234 T N -0.778 113.791 114.554 0.025 0.000 2.864 234 T HA 0.443 4.805 4.350 0.021 0.000 0.289 234 T C 0.347 175.068 174.700 0.035 0.000 1.082 234 T CA -0.546 61.571 62.100 0.028 0.000 1.009 234 T CB 1.257 70.137 68.868 0.021 0.000 1.234 234 T HN 0.419 nan 8.240 nan 0.000 0.526 235 D N 0.290 120.711 120.400 0.035 0.000 2.178 235 D HA -0.019 4.633 4.640 0.021 0.000 0.201 235 D C 1.645 177.968 176.300 0.038 0.000 0.980 235 D CA 1.297 55.321 54.000 0.040 0.000 0.842 235 D CB 0.029 40.849 40.800 0.033 0.000 0.948 235 D HN 0.675 nan 8.370 nan 0.000 0.472 236 E N -0.482 119.736 120.200 0.029 0.000 2.190 236 E HA 0.096 4.459 4.350 0.021 0.000 0.191 236 E C 0.238 176.853 176.600 0.024 0.000 0.978 236 E CA 0.344 56.759 56.400 0.026 0.000 0.839 236 E CB 0.285 29.997 29.700 0.020 0.000 0.787 236 E HN 0.008 nan 8.360 nan 0.000 0.473 237 N N -0.757 117.955 118.700 0.021 0.000 2.371 237 N HA 0.525 5.278 4.740 0.021 0.000 0.280 237 N C -1.971 173.544 175.510 0.008 0.000 1.084 237 N CA -0.418 52.639 53.050 0.013 0.000 0.892 237 N CB 1.745 40.237 38.487 0.008 0.000 1.653 237 N HN -0.013 nan 8.380 nan 0.000 0.480 238 A N 2.679 125.497 122.820 -0.003 0.000 2.303 238 A HA 0.741 5.074 4.320 0.021 0.000 0.320 238 A C -0.506 177.071 177.584 -0.011 0.000 1.192 238 A CA -0.569 51.460 52.037 -0.013 0.000 0.821 238 A CB 0.584 19.562 19.000 -0.037 0.000 1.188 238 A HN 0.634 nan 8.150 nan 0.000 0.492 239 R N 2.208 122.700 120.500 -0.013 0.000 2.387 239 R HA 0.620 4.972 4.340 0.021 0.000 0.314 239 R C -1.186 175.102 176.300 -0.020 0.000 0.958 239 R CA -0.632 55.462 56.100 -0.010 0.000 0.846 239 R CB 1.441 31.733 30.300 -0.012 0.000 1.147 239 R HN 0.490 nan 8.270 nan 0.000 0.447 240 L N 1.133 122.356 121.223 0.001 0.000 2.354 240 L HA 0.453 4.805 4.340 0.021 0.000 0.269 240 L C -0.009 176.852 176.870 -0.014 0.000 1.005 240 L CA -0.473 54.359 54.840 -0.012 0.000 0.819 240 L CB 1.877 43.984 42.059 0.081 0.000 1.311 240 L HN 0.550 nan 8.230 nan 0.000 0.423 241 S N 2.589 118.244 115.700 -0.075 0.000 2.474 241 S HA 0.442 4.925 4.470 0.021 0.000 0.321 241 S C -0.399 174.173 174.600 -0.047 0.000 1.080 241 S CA -0.717 57.449 58.200 -0.057 0.000 1.106 241 S CB 0.213 63.358 63.200 -0.090 0.000 0.984 241 S HN 0.578 nan 8.310 nan 0.000 0.464 242 N N 4.835 123.580 118.700 0.075 0.000 2.411 242 N HA 0.159 4.912 4.740 0.021 0.000 0.259 242 N C -0.865 174.754 175.510 0.181 0.000 1.103 242 N CA -0.013 53.165 53.050 0.214 0.000 0.954 242 N CB 0.882 39.569 38.487 0.333 0.000 1.085 242 N HN 0.690 nan 8.380 nan 0.000 0.485 243 E N 2.895 123.224 120.200 0.215 0.000 2.182 243 E HA 0.352 4.715 4.350 0.021 0.000 0.258 243 E C -0.590 176.185 176.600 0.292 0.000 0.879 243 E CA -0.441 56.075 56.400 0.194 0.000 0.754 243 E CB 1.745 31.526 29.700 0.135 0.000 1.162 243 E HN 0.312 nan 8.360 nan 0.000 0.419 244 L N 3.952 125.298 121.223 0.205 0.000 2.317 244 L HA 0.545 4.897 4.340 0.021 0.000 0.281 244 L C -0.285 176.668 176.870 0.139 0.000 1.024 244 L CA -0.814 54.122 54.840 0.159 0.000 0.810 244 L CB 1.331 43.409 42.059 0.032 0.000 1.240 244 L HN 0.430 nan 8.230 nan 0.000 0.427 245 I N 3.524 124.165 120.570 0.119 0.000 2.330 245 I HA 0.391 4.573 4.170 0.021 0.000 0.289 245 I C -0.626 175.477 176.117 -0.024 0.000 1.001 245 I CA -0.621 60.698 61.300 0.032 0.000 1.193 245 I CB 1.658 39.702 38.000 0.072 0.000 1.345 245 I HN 0.200 nan 8.210 nan 0.000 0.461 246 V N 5.213 125.084 119.914 -0.072 0.000 2.540 246 V HA 0.345 4.477 4.120 0.021 0.000 0.302 246 V C -0.430 175.623 176.094 -0.070 0.000 1.035 246 V CA -0.744 61.519 62.300 -0.063 0.000 0.873 246 V CB 2.011 33.803 31.823 -0.051 0.000 0.992 246 V HN 0.713 nan 8.190 nan 0.000 0.428 247 N N 3.377 122.047 118.700 -0.050 0.000 2.511 247 N HA 0.306 5.059 4.740 0.021 0.000 0.249 247 N C -0.557 174.969 175.510 0.026 0.000 0.971 247 N CA -0.375 52.661 53.050 -0.023 0.000 0.938 247 N CB 1.371 39.846 38.487 -0.019 0.000 1.131 247 N HN 0.805 nan 8.380 nan 0.000 0.505 248 Q N 3.556 123.374 119.800 0.031 0.000 2.267 248 Q HA 0.294 4.646 4.340 0.021 0.000 0.255 248 Q C -0.008 176.040 176.000 0.080 0.000 0.923 248 Q CA -0.343 55.499 55.803 0.065 0.000 0.925 248 Q CB 1.009 29.768 28.738 0.035 0.000 1.195 248 Q HN 0.728 nan 8.270 nan 0.000 0.417 249 I N 4.350 124.988 120.570 0.113 0.000 3.956 249 I HA 0.084 4.266 4.170 0.021 0.000 0.333 249 I C -0.366 175.763 176.117 0.020 0.000 1.302 249 I CA 0.070 61.414 61.300 0.074 0.000 1.122 249 I CB 1.040 39.083 38.000 0.073 0.000 1.013 249 I HN 0.517 nan 8.210 nan 0.000 0.405 250 V N -1.464 118.462 119.914 0.020 0.000 2.612 250 V HA 0.564 4.696 4.120 0.021 0.000 0.301 250 V C -1.628 174.471 176.094 0.009 0.000 1.046 250 V CA -1.340 60.963 62.300 0.005 0.000 0.946 250 V CB 0.818 32.642 31.823 0.002 0.000 1.003 250 V HN -0.045 nan 8.190 nan 0.000 0.459 251 P HA -0.049 nan 4.420 nan 0.000 0.218 251 P C 0.422 177.726 177.300 0.006 0.000 1.152 251 P CA 0.816 63.919 63.100 0.006 0.000 0.826 251 P CB 0.140 31.843 31.700 0.004 0.000 0.790 252 Q N 1.136 120.939 119.800 0.005 0.000 2.417 252 Q HA 0.291 4.643 4.340 0.021 0.000 0.241 252 Q C 0.049 176.052 176.000 0.007 0.000 1.008 252 Q CA -0.154 55.652 55.803 0.005 0.000 0.901 252 Q CB -0.146 28.594 28.738 0.004 0.000 1.259 252 Q HN -0.060 nan 8.270 nan 0.000 0.489 253 K N 2.669 123.072 120.400 0.006 0.000 2.350 253 K HA 0.338 4.671 4.320 0.021 0.000 0.279 253 K C -0.163 176.441 176.600 0.006 0.000 1.027 253 K CA -0.318 55.973 56.287 0.006 0.000 0.969 253 K CB 0.251 32.754 32.500 0.005 0.000 0.954 253 K HN 0.594 nan 8.250 nan 0.000 0.474 254 I N 4.809 125.384 120.570 0.007 0.000 2.389 254 I HA 0.318 4.500 4.170 0.021 0.000 0.288 254 I C -2.396 173.725 176.117 0.005 0.000 0.999 254 I CA -2.917 58.387 61.300 0.007 0.000 1.129 254 I CB 1.865 39.871 38.000 0.011 0.000 1.288 254 I HN 0.519 nan 8.210 nan 0.000 0.444 255 P HA 0.427 nan 4.420 nan 0.000 0.287 255 P C -0.946 176.355 177.300 0.001 0.000 1.294 255 P CA -0.152 62.949 63.100 0.002 0.000 0.776 255 P CB 1.551 33.252 31.700 0.002 0.000 0.889 256 A N 2.870 125.690 122.820 -0.001 0.000 2.593 256 A HA 0.626 4.959 4.320 0.021 0.000 0.290 256 A C -1.162 176.418 177.584 -0.007 0.000 1.126 256 A CA -0.665 51.370 52.037 -0.003 0.000 0.695 256 A CB 1.472 20.470 19.000 -0.004 0.000 1.290 256 A HN 0.462 nan 8.150 nan 0.000 0.414 257 E N 0.174 120.368 120.200 -0.011 0.000 2.187 257 E HA 0.546 4.908 4.350 0.021 0.000 0.268 257 E C -1.438 175.148 176.600 -0.024 0.000 0.896 257 E CA -0.585 55.806 56.400 -0.015 0.000 0.766 257 E CB 1.847 31.539 29.700 -0.014 0.000 1.142 257 E HN 0.408 nan 8.360 nan 0.000 0.408 258 V N 5.217 125.115 119.914 -0.027 0.000 2.385 258 V HA 0.333 4.465 4.120 0.021 0.000 0.269 258 V C -0.050 176.019 176.094 -0.042 0.000 1.043 258 V CA -0.303 61.972 62.300 -0.043 0.000 0.906 258 V CB 0.673 32.472 31.823 -0.040 0.000 0.995 258 V HN 0.592 nan 8.190 nan 0.000 0.467 259 R N 3.719 124.186 120.500 -0.054 0.000 2.514 259 R HA 0.765 5.117 4.340 0.021 0.000 0.301 259 R C -1.377 174.885 176.300 -0.063 0.000 0.962 259 R CA -0.763 55.309 56.100 -0.048 0.000 0.882 259 R CB 2.327 32.603 30.300 -0.040 0.000 1.143 259 R HN 0.450 nan 8.270 nan 0.000 0.452 260 V N 3.144 123.033 119.914 -0.042 0.000 2.407 260 V HA 0.209 4.342 4.120 0.021 0.000 0.291 260 V C -0.448 175.619 176.094 -0.044 0.000 1.018 260 V CA -0.897 61.388 62.300 -0.025 0.000 0.842 260 V CB 1.458 33.304 31.823 0.039 0.000 0.996 260 V HN 0.688 nan 8.190 nan 0.000 0.426 261 N N 4.386 123.057 118.700 -0.048 0.000 2.438 261 N HA 0.437 5.190 4.740 0.021 0.000 0.282 261 N C -1.139 174.278 175.510 -0.155 0.000 1.037 261 N CA -0.137 52.868 53.050 -0.076 0.000 0.942 261 N CB 2.034 40.495 38.487 -0.042 0.000 1.136 261 N HN 0.367 nan 8.380 nan 0.000 0.481 262 V N 2.225 121.995 119.914 -0.241 0.000 2.448 262 V HA 0.474 4.606 4.120 0.021 0.000 0.295 262 V C -0.088 175.927 176.094 -0.132 0.000 1.025 262 V CA -0.537 61.519 62.300 -0.407 0.000 0.859 262 V CB 1.381 32.798 31.823 -0.676 0.000 0.988 262 V HN 0.684 nan 8.190 nan 0.000 0.431 263 S N 3.925 119.609 115.700 -0.025 0.000 2.595 263 S HA 0.807 5.289 4.470 0.021 0.000 0.281 263 S C -1.366 173.257 174.600 0.039 0.000 1.117 263 S CA -0.512 57.703 58.200 0.026 0.000 0.873 263 S CB 2.071 65.275 63.200 0.007 0.000 1.108 263 S HN 0.584 nan 8.310 nan 0.000 0.477 264 L N 3.165 124.355 121.223 -0.056 0.000 2.404 264 L HA 0.571 4.924 4.340 0.021 0.000 0.272 264 L C -0.349 176.448 176.870 -0.121 0.000 0.980 264 L CA 0.059 54.769 54.840 -0.217 0.000 0.836 264 L CB 0.604 42.378 42.059 -0.475 0.000 1.238 264 L HN 0.695 nan 8.230 nan 0.000 0.408 265 N N 4.482 123.128 118.700 -0.090 0.000 2.716 265 N HA -0.220 4.533 4.740 0.021 0.000 0.250 265 N C 0.942 176.434 175.510 -0.030 0.000 1.033 265 N CA 1.368 54.388 53.050 -0.049 0.000 0.727 265 N CB -0.946 37.507 38.487 -0.056 0.000 0.950 265 N HN 1.265 nan 8.380 nan 0.000 0.541 266 G N -2.434 106.354 108.800 -0.019 0.000 2.175 266 G HA2 -0.280 3.692 3.960 0.021 0.000 0.244 266 G HA3 -0.280 3.692 3.960 0.021 0.000 0.244 266 G C 0.071 174.965 174.900 -0.011 0.000 0.982 266 G CA 0.557 45.652 45.100 -0.009 0.000 0.641 266 G HN 0.501 nan 8.290 nan 0.000 0.527 267 T N 1.727 116.271 114.554 -0.017 0.000 2.792 267 T HA 0.558 4.920 4.350 0.021 0.000 0.280 267 T C 0.311 175.007 174.700 -0.007 0.000 0.990 267 T CA 0.063 62.157 62.100 -0.011 0.000 0.960 267 T CB 1.688 70.549 68.868 -0.012 0.000 0.939 267 T HN 0.200 nan 8.240 nan 0.000 0.439 268 T N 2.746 117.297 114.554 -0.005 0.000 2.902 268 T HA 0.146 4.509 4.350 0.021 0.000 0.301 268 T C 1.166 175.867 174.700 0.002 0.000 1.012 268 T CA -0.108 61.987 62.100 -0.008 0.000 1.151 268 T CB 0.812 69.672 68.868 -0.013 0.000 0.946 268 T HN 0.370 nan 8.240 nan 0.000 0.542 269 V N 2.762 122.680 119.914 0.007 0.000 3.151 269 V HA 0.215 4.347 4.120 0.021 0.000 0.241 269 V C 0.755 176.846 176.094 -0.005 0.000 1.173 269 V CA 0.792 63.111 62.300 0.031 0.000 1.154 269 V CB 1.020 32.914 31.823 0.119 0.000 0.898 269 V HN 0.937 nan 8.190 nan 0.000 0.473 270 T N 0.020 114.545 114.554 -0.049 0.000 2.923 270 T HA 0.523 4.886 4.350 0.021 0.000 0.311 270 T C -1.354 173.298 174.700 -0.081 0.000 1.183 270 T CA -0.374 61.686 62.100 -0.067 0.000 1.020 270 T CB 2.779 71.590 68.868 -0.096 0.000 1.165 270 T HN 0.232 nan 8.240 nan 0.000 0.482 271 E N 1.694 121.861 120.200 -0.055 0.000 2.281 271 E HA 0.582 4.944 4.350 0.021 0.000 0.266 271 E C -1.190 175.390 176.600 -0.034 0.000 0.893 271 E CA -0.719 55.652 56.400 -0.048 0.000 0.798 271 E CB 1.269 30.948 29.700 -0.035 0.000 1.245 271 E HN 0.547 nan 8.360 nan 0.000 0.410 272 V N 1.586 121.481 119.914 -0.032 0.000 2.769 272 V HA 0.772 4.905 4.120 0.021 0.000 0.312 272 V C -0.809 175.275 176.094 -0.017 0.000 1.061 272 V CA -0.812 61.477 62.300 -0.018 0.000 0.931 272 V CB 1.605 33.423 31.823 -0.008 0.000 1.010 272 V HN 0.664 nan 8.190 nan 0.000 0.433 273 K N 2.662 123.054 120.400 -0.013 0.000 2.482 273 K HA 0.757 5.089 4.320 0.021 0.000 0.257 273 K C -1.453 175.142 176.600 -0.009 0.000 0.969 273 K CA -0.806 55.472 56.287 -0.014 0.000 0.842 273 K CB 2.947 35.438 32.500 -0.016 0.000 1.359 273 K HN 0.839 nan 8.250 nan 0.000 0.441 274 Q N 1.668 121.462 119.800 -0.009 0.000 2.268 274 Q HA 0.147 4.499 4.340 0.021 0.000 0.266 274 Q C -1.236 174.760 176.000 -0.006 0.000 1.006 274 Q CA -0.667 55.133 55.803 -0.005 0.000 0.824 274 Q CB 2.175 30.913 28.738 -0.001 0.000 1.306 274 Q HN 0.572 nan 8.270 nan 0.000 0.424 275 Q N 1.846 121.643 119.800 -0.003 0.000 2.314 275 Q HA 0.413 4.766 4.340 0.021 0.000 0.258 275 Q C -0.210 175.789 176.000 -0.001 0.000 0.954 275 Q CA -0.105 55.696 55.803 -0.003 0.000 0.890 275 Q CB 1.656 30.393 28.738 -0.002 0.000 1.210 275 Q HN 0.532 nan 8.270 nan 0.000 0.410 276 V N -1.033 118.880 119.914 -0.002 0.000 3.049 276 V HA 0.649 4.781 4.120 0.021 0.000 0.309 276 V C -0.552 175.542 176.094 0.001 0.000 1.148 276 V CA -0.839 61.461 62.300 0.001 0.000 0.990 276 V CB 2.316 34.139 31.823 0.000 0.000 1.039 276 V HN 0.638 nan 8.190 nan 0.000 0.430 277 T N 5.014 119.570 114.554 0.003 0.000 2.788 277 T HA 0.582 4.945 4.350 0.021 0.000 0.296 277 T C -0.202 174.500 174.700 0.004 0.000 1.009 277 T CA -0.196 61.907 62.100 0.004 0.000 0.949 277 T CB 0.625 69.496 68.868 0.005 0.000 0.946 277 T HN 0.649 nan 8.240 nan 0.000 0.453 278 L N 4.046 125.270 121.223 0.003 0.000 2.360 278 L HA 0.305 4.657 4.340 0.021 0.000 0.276 278 L C 0.696 177.569 176.870 0.004 0.000 1.121 278 L CA -0.422 54.419 54.840 0.002 0.000 0.845 278 L CB 0.586 42.647 42.059 0.004 0.000 1.143 278 L HN 0.517 nan 8.230 nan 0.000 0.452 279 Q N 4.876 124.677 119.800 0.002 0.000 2.214 279 Q HA 0.392 4.744 4.340 0.021 0.000 0.251 279 Q C -2.257 173.745 176.000 0.004 0.000 0.936 279 Q CA -2.048 53.757 55.803 0.004 0.000 0.894 279 Q CB 0.969 29.709 28.738 0.004 0.000 1.252 279 Q HN 0.356 nan 8.270 nan 0.000 0.448 280 P HA -0.046 nan 4.420 nan 0.000 0.267 280 P C 0.453 177.757 177.300 0.007 0.000 1.200 280 P CA 1.008 64.114 63.100 0.011 0.000 0.772 280 P CB 0.485 32.193 31.700 0.012 0.000 0.855 281 G N 2.872 111.678 108.800 0.010 0.000 2.498 281 G HA2 -0.214 3.759 3.960 0.021 0.000 0.251 281 G HA3 -0.214 3.759 3.960 0.021 0.000 0.251 281 G C -0.688 174.196 174.900 -0.026 0.000 1.170 281 G CA -0.458 44.643 45.100 0.001 0.000 0.944 281 G HN 0.541 nan 8.290 nan 0.000 0.567 282 I N 2.959 123.497 120.570 -0.053 0.000 2.371 282 I HA 0.338 4.520 4.170 0.021 0.000 0.290 282 I C 0.218 176.224 176.117 -0.185 0.000 1.028 282 I CA -0.513 60.706 61.300 -0.136 0.000 1.345 282 I CB 0.563 38.472 38.000 -0.152 0.000 1.407 282 I HN 0.441 nan 8.210 nan 0.000 0.501 283 N N 6.022 124.589 118.700 -0.222 0.000 2.284 283 N HA 0.350 5.102 4.740 0.021 0.000 0.300 283 N C -0.748 174.606 175.510 -0.260 0.000 1.047 283 N CA -0.620 52.322 53.050 -0.180 0.000 0.821 283 N CB 2.053 40.498 38.487 -0.070 0.000 1.337 283 N HN 0.472 nan 8.380 nan 0.000 0.482 284 H N 2.057 121.142 119.070 0.025 0.000 2.476 284 H HA 0.497 5.066 4.556 0.021 0.000 0.328 284 H C -0.315 175.029 175.328 0.026 0.000 1.073 284 H CA -0.140 55.927 56.048 0.032 0.000 1.229 284 H CB 1.724 31.505 29.762 0.032 0.000 1.432 284 H HN 0.419 nan 8.280 nan 0.000 0.477 285 I N 2.469 123.123 120.570 0.141 0.000 2.534 285 I HA 0.154 4.336 4.170 0.021 0.000 0.288 285 I C -0.336 175.831 176.117 0.084 0.000 1.077 285 I CA -0.415 60.933 61.300 0.081 0.000 1.051 285 I CB 2.348 40.371 38.000 0.037 0.000 1.234 285 I HN 0.380 nan 8.210 nan 0.000 0.425 286 T N 6.902 121.493 114.554 0.061 0.000 2.815 286 T HA 0.630 4.992 4.350 0.021 0.000 0.289 286 T C -0.583 174.140 174.700 0.038 0.000 1.000 286 T CA -0.435 61.695 62.100 0.051 0.000 0.958 286 T CB 1.179 70.067 68.868 0.033 0.000 0.944 286 T HN 0.146 nan 8.240 nan 0.000 0.442 287 L N 6.021 127.271 121.223 0.046 0.000 2.325 287 L HA 0.494 4.847 4.340 0.021 0.000 0.281 287 L C -2.312 174.584 176.870 0.044 0.000 1.004 287 L CA -2.053 52.809 54.840 0.037 0.000 0.823 287 L CB 1.637 43.717 42.059 0.036 0.000 1.236 287 L HN 0.353 nan 8.230 nan 0.000 0.415 288 P HA 0.443 nan 4.420 nan 0.000 0.275 288 P C -1.221 176.099 177.300 0.033 0.000 1.228 288 P CA -0.398 62.717 63.100 0.024 0.000 0.786 288 P CB 1.378 33.084 31.700 0.009 0.000 0.927 289 A N 1.988 124.835 122.820 0.045 0.000 2.498 289 A HA 0.634 4.966 4.320 0.021 0.000 0.298 289 A C -1.005 176.593 177.584 0.024 0.000 1.075 289 A CA -0.605 51.452 52.037 0.033 0.000 0.714 289 A CB 1.487 20.514 19.000 0.046 0.000 1.299 289 A HN 0.515 nan 8.150 nan 0.000 0.407 290 E N 0.367 120.567 120.200 -0.001 0.000 2.266 290 E HA 0.536 4.899 4.350 0.021 0.000 0.268 290 E C -1.539 175.047 176.600 -0.024 0.000 0.879 290 E CA -0.838 55.559 56.400 -0.006 0.000 0.762 290 E CB 2.567 32.264 29.700 -0.004 0.000 1.199 290 E HN 0.296 nan 8.360 nan 0.000 0.422 291 V N 2.612 122.508 119.914 -0.030 0.000 2.350 291 V HA 0.169 4.302 4.120 0.021 0.000 0.285 291 V C 0.254 176.345 176.094 -0.006 0.000 1.014 291 V CA -0.666 61.608 62.300 -0.043 0.000 0.831 291 V CB 1.340 33.077 31.823 -0.143 0.000 1.000 291 V HN 0.812 nan 8.190 nan 0.000 0.433 292 T N 1.576 116.140 114.554 0.016 0.000 2.913 292 T HA 0.267 4.629 4.350 0.021 0.000 0.297 292 T C 0.477 175.206 174.700 0.049 0.000 1.029 292 T CA -0.213 61.903 62.100 0.027 0.000 1.104 292 T CB -0.025 68.858 68.868 0.024 0.000 0.964 292 T HN 0.764 nan 8.240 nan 0.000 0.532 293 N N 1.383 120.112 118.700 0.047 0.000 2.686 293 N HA -0.118 4.634 4.740 0.021 0.000 0.261 293 N C -2.579 172.990 175.510 0.099 0.000 1.001 293 N CA 0.284 53.372 53.050 0.063 0.000 0.764 293 N CB -0.976 37.546 38.487 0.057 0.000 0.898 293 N HN 0.645 nan 8.380 nan 0.000 0.544 294 P HA -0.002 nan 4.420 nan 0.000 0.264 294 P C -0.146 177.275 177.300 0.201 0.000 1.193 294 P CA 0.137 63.318 63.100 0.136 0.000 0.763 294 P CB 0.789 32.522 31.700 0.054 0.000 0.810 295 V N 5.568 125.682 119.914 0.334 0.000 2.389 295 V HA 0.171 4.303 4.120 0.021 0.000 0.264 295 V C 1.305 177.590 176.094 0.318 0.000 1.049 295 V CA -0.279 62.184 62.300 0.272 0.000 0.932 295 V CB -0.277 31.668 31.823 0.202 0.000 1.011 295 V HN 0.466 nan 8.190 nan 0.000 0.475 296 R N 3.012 123.648 120.500 0.227 0.000 2.539 296 R HA 0.181 4.533 4.340 0.021 0.000 0.275 296 R C -0.444 176.033 176.300 0.296 0.000 1.077 296 R CA -0.422 55.829 56.100 0.253 0.000 1.097 296 R CB 1.024 31.444 30.300 0.200 0.000 1.018 296 R HN 0.787 nan 8.270 nan 0.000 0.483 297 W N 4.545 125.929 121.300 0.141 0.000 2.311 297 W HA 0.181 4.853 4.660 0.020 0.000 0.310 297 W C -0.968 175.624 176.519 0.122 0.000 1.274 297 W CA -0.433 56.985 57.345 0.121 0.000 1.215 297 W CB 0.721 30.245 29.460 0.107 0.000 1.227 297 W HN 0.237 nan 8.180 nan 0.000 0.523 298 M N 9.002 128.404 119.600 -0.329 0.000 2.528 298 M HA 0.399 4.892 4.480 0.021 0.000 0.321 298 M C -2.147 173.642 176.300 -0.851 0.000 1.153 298 M CA -2.876 52.242 55.300 -0.304 0.000 0.951 298 M CB 1.275 33.831 32.600 -0.074 0.000 1.705 298 M HN 0.280 nan 8.290 nan 0.000 0.451 299 P HA 0.145 nan 4.420 nan 0.000 0.276 299 P C -0.618 176.449 177.300 -0.388 0.000 1.252 299 P CA -0.475 62.287 63.100 -0.563 0.000 0.802 299 P CB 0.417 31.885 31.700 -0.386 0.000 1.035 300 N N 0.124 118.634 118.700 -0.317 0.000 2.411 300 N HA 0.216 4.969 4.740 0.021 0.000 0.261 300 N C 1.379 176.778 175.510 -0.186 0.000 1.248 300 N CA 2.002 54.932 53.050 -0.201 0.000 0.885 300 N CB -0.528 37.873 38.487 -0.144 0.000 1.062 300 N HN 0.750 nan 8.380 nan 0.000 0.471 301 G N 2.651 111.407 108.800 -0.073 0.000 2.284 301 G HA2 -0.222 3.750 3.960 0.021 0.000 0.216 301 G HA3 -0.222 3.750 3.960 0.021 0.000 0.216 301 G C 0.311 175.357 174.900 0.243 0.000 1.009 301 G CA 0.116 45.229 45.100 0.022 0.000 0.625 301 G HN 0.557 nan 8.290 nan 0.000 0.501 302 W N 2.116 123.374 121.300 -0.070 0.000 3.123 302 W HA 0.613 5.286 4.660 0.021 0.000 0.383 302 W C 1.212 177.687 176.519 -0.073 0.000 1.102 302 W CA 0.200 57.511 57.345 -0.056 0.000 1.865 302 W CB -0.056 29.378 29.460 -0.043 0.000 1.111 302 W HN 1.231 nan 8.180 nan 0.000 0.621 303 G N -0.251 108.608 108.800 0.098 0.000 2.293 303 G HA2 -0.034 3.939 3.960 0.021 0.000 0.282 303 G HA3 -0.034 3.939 3.960 0.021 0.000 0.282 303 G C -0.734 174.130 174.900 -0.060 0.000 1.299 303 G CA -1.035 44.077 45.100 0.020 0.000 1.018 303 G HN -0.237 nan 8.290 nan 0.000 0.478 304 T N 3.062 117.579 114.554 -0.062 0.000 2.884 304 T HA 0.526 4.888 4.350 0.021 0.000 0.298 304 T C -2.054 172.525 174.700 -0.202 0.000 0.998 304 T CA -0.377 61.666 62.100 -0.095 0.000 1.124 304 T CB 1.696 70.539 68.868 -0.041 0.000 0.931 304 T HN 0.475 nan 8.240 nan 0.000 0.531 305 P HA 0.139 nan 4.420 nan 0.000 0.225 305 P C -0.299 176.977 177.300 -0.041 0.000 1.813 305 P CA -0.457 62.306 63.100 -0.561 0.000 1.013 305 P CB -0.904 30.506 31.700 -0.483 0.000 1.961 306 T N 2.886 117.478 114.554 0.064 0.000 2.871 306 T HA 0.128 4.491 4.350 0.021 0.000 0.296 306 T C 0.472 175.374 174.700 0.338 0.000 0.998 306 T CA 0.589 62.789 62.100 0.167 0.000 1.162 306 T CB 0.120 69.078 68.868 0.151 0.000 0.947 306 T HN 0.188 nan 8.240 nan 0.000 0.536 307 L N 3.212 124.567 121.223 0.221 0.000 2.385 307 L HA 0.501 4.853 4.340 0.021 0.000 0.273 307 L C -0.659 176.324 176.870 0.188 0.000 0.990 307 L CA -1.114 53.889 54.840 0.273 0.000 0.821 307 L CB 1.512 43.707 42.059 0.226 0.000 1.279 307 L HN 0.629 nan 8.230 nan 0.000 0.412 308 Y N 0.695 121.121 120.300 0.209 0.000 2.354 308 Y HA 0.240 4.802 4.550 0.021 0.000 0.322 308 Y C 0.184 176.252 175.900 0.281 0.000 1.253 308 Y CA -0.509 57.740 58.100 0.247 0.000 1.272 308 Y CB 1.230 39.927 38.460 0.395 0.000 1.255 308 Y HN 0.436 nan 8.280 nan 0.000 0.500 309 D N 2.546 123.166 120.400 0.366 0.000 2.373 309 D HA 0.184 4.837 4.640 0.021 0.000 0.227 309 D C -1.268 175.243 176.300 0.352 0.000 1.091 309 D CA -0.051 54.135 54.000 0.310 0.000 0.840 309 D CB 0.779 41.673 40.800 0.157 0.000 1.060 309 D HN 0.201 nan 8.370 nan 0.000 0.502 310 F N 1.159 121.201 119.950 0.154 0.000 2.404 310 F HA 0.201 4.741 4.527 0.020 0.000 0.354 310 F C 0.867 176.805 175.800 0.230 0.000 1.122 310 F CA -0.680 57.433 58.000 0.189 0.000 1.080 310 F CB 1.748 40.860 39.000 0.186 0.000 1.131 310 F HN 0.018 nan 8.300 nan 0.000 0.471 311 S N 3.181 119.040 115.700 0.264 0.000 2.552 311 S HA 0.842 5.325 4.470 0.021 0.000 0.314 311 S C -0.699 173.909 174.600 0.014 0.000 1.099 311 S CA -0.523 57.764 58.200 0.145 0.000 1.070 311 S CB 0.697 63.931 63.200 0.056 0.000 0.998 311 S HN 0.757 nan 8.310 nan 0.000 0.474 312 A N 4.688 127.388 122.820 -0.200 0.000 2.276 312 A HA 0.709 5.041 4.320 0.021 0.000 0.316 312 A C -0.372 177.058 177.584 -0.256 0.000 1.229 312 A CA -0.595 51.192 52.037 -0.417 0.000 0.851 312 A CB 0.704 19.048 19.000 -1.093 0.000 1.165 312 A HN 0.854 nan 8.150 nan 0.000 0.513 313 Q N 1.446 121.145 119.800 -0.168 0.000 2.375 313 Q HA 0.503 4.855 4.340 0.021 0.000 0.271 313 Q C -1.148 174.796 176.000 -0.094 0.000 1.074 313 Q CA -0.817 54.920 55.803 -0.110 0.000 0.808 313 Q CB 2.509 31.206 28.738 -0.068 0.000 1.327 313 Q HN 0.620 nan 8.270 nan 0.000 0.441 314 I N 1.976 122.503 120.570 -0.073 0.000 2.307 314 I HA 0.518 4.700 4.170 0.021 0.000 0.289 314 I C -0.378 175.722 176.117 -0.028 0.000 1.021 314 I CA -0.308 60.963 61.300 -0.048 0.000 1.224 314 I CB 0.605 38.580 38.000 -0.042 0.000 1.376 314 I HN 0.599 nan 8.210 nan 0.000 0.470 315 A N 5.999 128.805 122.820 -0.023 0.000 2.343 315 A HA 0.580 4.912 4.320 0.021 0.000 0.316 315 A C -0.620 176.960 177.584 -0.008 0.000 1.104 315 A CA -0.366 51.662 52.037 -0.015 0.000 0.768 315 A CB 1.097 20.087 19.000 -0.018 0.000 1.213 315 A HN 0.738 nan 8.150 nan 0.000 0.456 316 C N 3.305 122.604 119.300 -0.002 0.000 2.288 316 C HA 0.666 5.139 4.460 0.021 0.000 0.328 316 C C 1.451 176.441 174.990 -0.000 0.000 1.071 316 C CA 0.409 59.428 59.018 0.000 0.000 1.594 316 C CB -1.219 26.524 27.740 0.005 0.000 1.700 316 C HN 1.725 nan 8.230 nan 0.000 0.436 317 G N 2.632 111.431 108.800 -0.003 0.000 2.557 317 G HA2 -0.326 3.646 3.960 0.021 0.000 0.292 317 G HA3 -0.326 3.646 3.960 0.021 0.000 0.292 317 G C 0.698 175.595 174.900 -0.004 0.000 1.162 317 G CA 1.090 46.188 45.100 -0.003 0.000 0.964 317 G HN 0.567 nan 8.290 nan 0.000 0.541 318 D N 0.835 121.234 120.400 -0.003 0.000 2.305 318 D HA 0.336 4.988 4.640 0.021 0.000 0.206 318 D C 1.603 177.903 176.300 -0.001 0.000 0.974 318 D CA 1.411 55.410 54.000 -0.003 0.000 0.871 318 D CB -0.081 nan 40.800 nan 0.000 0.947 318 D HN 0.781 nan 8.370 nan 0.000 0.516 319 R N 1.122 121.623 120.500 0.001 0.000 2.345 319 R HA 0.170 4.523 4.340 0.021 0.000 0.331 319 R C -0.681 175.622 176.300 0.004 0.000 1.067 319 R CA -0.247 55.856 56.100 0.005 0.000 0.962 319 R CB -0.143 30.162 30.300 0.008 0.000 0.987 319 R HN 0.104 nan 8.270 nan 0.000 0.451 320 I N 8.066 128.638 120.570 0.004 0.000 2.282 320 I HA -0.016 4.167 4.170 0.021 0.000 0.290 320 I C 1.575 177.697 176.117 0.009 0.000 1.090 320 I CA -0.316 60.983 61.300 -0.002 0.000 1.231 320 I CB 0.470 38.465 38.000 -0.009 0.000 1.434 320 I HN 0.627 nan 8.210 nan 0.000 0.487 321 V N 3.543 123.467 119.914 0.015 0.000 2.515 321 V HA 0.225 4.357 4.120 0.021 0.000 0.250 321 V C 0.894 177.005 176.094 0.028 0.000 1.058 321 V CA 1.125 63.449 62.300 0.040 0.000 1.064 321 V CB -0.313 31.544 31.823 0.057 0.000 0.675 321 V HN 0.684 nan 8.190 nan 0.000 0.461 322 A N -0.445 122.369 122.820 -0.010 0.000 2.549 322 A HA 0.796 5.128 4.320 0.021 0.000 0.297 322 A C -0.884 176.663 177.584 -0.062 0.000 1.061 322 A CA -0.525 51.486 52.037 -0.045 0.000 0.690 322 A CB 1.995 20.951 19.000 -0.073 0.000 1.287 322 A HN 0.353 nan 8.150 nan 0.000 0.402 323 E N 0.678 120.836 120.200 -0.070 0.000 2.366 323 E HA 0.580 4.942 4.350 0.021 0.000 0.278 323 E C -1.752 174.795 176.600 -0.088 0.000 0.923 323 E CA -0.291 56.060 56.400 -0.081 0.000 0.761 323 E CB 2.224 31.894 29.700 -0.051 0.000 1.231 323 E HN 0.756 nan 8.360 nan 0.000 0.443 324 Q N 1.379 121.113 119.800 -0.111 0.000 2.320 324 Q HA 0.525 4.878 4.340 0.021 0.000 0.272 324 Q C -1.919 174.063 176.000 -0.030 0.000 1.023 324 Q CA -0.408 55.345 55.803 -0.084 0.000 0.855 324 Q CB 1.951 30.642 28.738 -0.078 0.000 1.367 324 Q HN 0.330 nan 8.270 nan 0.000 0.406 325 S N 2.391 118.059 115.700 -0.054 0.000 2.566 325 S HA 0.705 5.188 4.470 0.021 0.000 0.298 325 S C -1.419 173.071 174.600 -0.184 0.000 1.083 325 S CA -0.673 57.534 58.200 0.013 0.000 0.978 325 S CB 0.921 64.149 63.200 0.047 0.000 1.073 325 S HN 0.587 nan 8.310 nan 0.000 0.491 326 H N 1.037 120.187 119.070 0.134 0.000 2.851 326 H HA 0.408 4.976 4.556 0.021 0.000 0.372 326 H C -0.491 174.851 175.328 0.023 0.000 1.158 326 H CA -0.691 55.337 56.048 -0.033 0.000 1.159 326 H CB 1.309 30.924 29.762 -0.243 0.000 1.757 326 H HN 0.409 nan 8.280 nan 0.000 0.546 327 R N 1.819 122.394 120.500 0.125 0.000 2.298 327 R HA 0.353 4.706 4.340 0.021 0.000 0.310 327 R C -0.292 176.013 176.300 0.008 0.000 1.068 327 R CA -0.508 55.660 56.100 0.112 0.000 0.957 327 R CB 0.764 31.123 30.300 0.099 0.000 1.003 327 R HN 0.310 nan 8.270 nan 0.000 0.454 328 I N 1.588 122.190 120.570 0.052 0.000 2.545 328 I HA 0.327 4.509 4.170 0.021 0.000 0.292 328 I C 0.538 176.671 176.117 0.027 0.000 1.040 328 I CA -0.578 60.640 61.300 -0.137 0.000 1.068 328 I CB 1.810 39.489 38.000 -0.535 0.000 1.251 328 I HN 0.665 nan 8.210 nan 0.000 0.424 329 G N 6.222 114.957 108.800 -0.108 0.000 2.379 329 G HA2 0.658 4.630 3.960 0.021 0.000 0.327 329 G HA3 0.658 4.630 3.960 0.021 0.000 0.327 329 G C -0.796 174.097 174.900 -0.011 0.000 1.145 329 G CA -0.529 44.581 45.100 0.018 0.000 0.905 329 G HN 0.458 nan 8.290 nan 0.000 0.466 330 L N 3.798 125.107 121.223 0.142 0.000 2.255 330 L HA 0.623 4.976 4.340 0.021 0.000 0.289 330 L C 0.392 177.357 176.870 0.159 0.000 1.046 330 L CA -0.820 54.063 54.840 0.072 0.000 0.816 330 L CB 0.407 42.491 42.059 0.042 0.000 1.197 330 L HN 0.634 nan 8.230 nan 0.000 0.427 331 R N 1.702 122.264 120.500 0.104 0.000 2.728 331 R HA 0.519 4.871 4.340 0.021 0.000 0.274 331 R C -1.258 175.099 176.300 0.096 0.000 1.030 331 R CA -0.717 55.484 56.100 0.169 0.000 0.876 331 R CB 1.238 31.733 30.300 0.326 0.000 1.259 331 R HN 0.377 nan 8.270 nan 0.000 0.468 332 T N -0.773 113.854 114.554 0.120 0.000 2.797 332 T HA 0.710 5.072 4.350 0.021 0.000 0.279 332 T C 0.276 175.044 174.700 0.113 0.000 0.991 332 T CA -0.766 61.384 62.100 0.083 0.000 0.979 332 T CB 0.959 69.868 68.868 0.069 0.000 0.943 332 T HN 0.469 nan 8.240 nan 0.000 0.444 333 I N 2.776 123.393 120.570 0.079 0.000 2.389 333 I HA 0.496 4.678 4.170 0.021 0.000 0.288 333 I C 0.094 176.227 176.117 0.027 0.000 0.999 333 I CA -0.859 60.498 61.300 0.095 0.000 1.129 333 I CB 1.823 39.889 38.000 0.110 0.000 1.288 333 I HN 0.583 nan 8.210 nan 0.000 0.444 334 R N 6.190 126.680 120.500 -0.016 0.000 2.435 334 R HA 0.548 4.900 4.340 0.021 0.000 0.308 334 R C -1.623 174.474 176.300 -0.338 0.000 0.975 334 R CA -0.522 55.497 56.100 -0.136 0.000 0.867 334 R CB 1.690 31.931 30.300 -0.099 0.000 1.171 334 R HN 0.428 nan 8.270 nan 0.000 0.470 335 V N 5.334 124.903 119.914 -0.576 0.000 2.488 335 V HA 0.177 4.309 4.120 0.021 0.000 0.277 335 V C -0.023 175.419 176.094 -1.087 0.000 1.046 335 V CA -0.378 61.248 62.300 -1.123 0.000 0.986 335 V CB 1.437 32.219 31.823 -1.736 0.000 0.989 335 V HN 0.475 nan 8.190 nan 0.000 0.475 336 V N 5.725 124.940 119.914 -1.165 0.000 2.347 336 V HA 0.380 4.512 4.120 0.021 0.000 0.280 336 V C 0.304 175.899 176.094 -0.833 0.000 1.021 336 V CA -0.443 61.292 62.300 -0.942 0.000 0.847 336 V CB 1.211 32.357 31.823 -1.128 0.000 0.990 336 V HN 0.953 nan 8.190 nan 0.000 0.444 337 N N 4.461 122.818 118.700 -0.572 0.000 2.762 337 N HA 0.362 5.115 4.740 0.021 0.000 0.252 337 N C -0.814 174.629 175.510 -0.111 0.000 1.269 337 N CA -0.247 52.613 53.050 -0.317 0.000 0.799 337 N CB 1.169 39.428 38.487 -0.380 0.000 1.173 337 N HN 0.757 nan 8.380 nan 0.000 0.516 338 E N 1.120 121.297 120.200 -0.039 0.000 2.369 338 E HA 0.308 4.671 4.350 0.021 0.000 0.270 338 E C -0.987 175.649 176.600 0.060 0.000 0.909 338 E CA -0.824 55.578 56.400 0.004 0.000 0.775 338 E CB 2.370 32.062 29.700 -0.015 0.000 1.270 338 E HN 0.235 nan 8.360 nan 0.000 0.445 339 K N 1.944 122.381 120.400 0.062 0.000 2.368 339 K HA 0.120 4.452 4.320 0.021 0.000 0.282 339 K C -0.627 176.015 176.600 0.070 0.000 1.035 339 K CA 0.283 56.615 56.287 0.075 0.000 0.973 339 K CB 0.296 32.836 32.500 0.067 0.000 0.957 339 K HN 0.434 nan 8.250 nan 0.000 0.474 340 D N 0.258 120.704 120.400 0.077 0.000 2.664 340 D HA 0.030 4.683 4.640 0.021 0.000 0.292 340 D C 0.255 176.600 176.300 0.076 0.000 1.214 340 D CA -0.940 53.105 54.000 0.075 0.000 0.932 340 D CB 0.360 41.210 40.800 0.084 0.000 1.420 340 D HN 0.358 nan 8.370 nan 0.000 0.471 341 K N -0.786 119.661 120.400 0.078 0.000 2.360 341 K HA -0.115 4.217 4.320 0.021 0.000 0.201 341 K C -0.020 176.640 176.600 0.100 0.000 1.046 341 K CA 1.240 57.577 56.287 0.083 0.000 0.940 341 K CB -0.173 32.377 32.500 0.083 0.000 0.748 341 K HN 0.275 nan 8.250 nan 0.000 0.465 342 D N 0.057 120.517 120.400 0.101 0.000 2.379 342 D HA 0.114 4.766 4.640 0.021 0.000 0.208 342 D C 1.034 177.390 176.300 0.094 0.000 1.065 342 D CA 0.942 55.016 54.000 0.123 0.000 0.848 342 D CB 1.284 42.140 40.800 0.094 0.000 0.949 342 D HN 0.511 nan 8.370 nan 0.000 0.509 343 G N 1.038 109.886 108.800 0.080 0.000 1.781 343 G HA2 -0.114 3.858 3.960 0.021 0.000 0.082 343 G HA3 -0.114 3.858 3.960 0.021 0.000 0.082 343 G C -1.093 173.865 174.900 0.096 0.000 0.919 343 G CA -0.712 44.440 45.100 0.086 0.000 1.202 343 G HN 0.144 nan 8.290 nan 0.000 0.393 344 E N 1.054 121.321 120.200 0.112 0.000 2.241 344 E HA 0.540 4.902 4.350 0.021 0.000 0.263 344 E C -0.021 176.682 176.600 0.171 0.000 0.882 344 E CA -0.158 56.336 56.400 0.157 0.000 0.769 344 E CB 2.119 31.967 29.700 0.248 0.000 1.185 344 E HN 0.706 nan 8.360 nan 0.000 0.415 345 S N 1.989 117.781 115.700 0.154 0.000 2.617 345 S HA 0.439 4.921 4.470 0.021 0.000 0.259 345 S C -0.178 174.577 174.600 0.258 0.000 1.301 345 S CA -0.399 57.920 58.200 0.199 0.000 0.984 345 S CB 0.605 63.953 63.200 0.247 0.000 0.954 345 S HN 0.556 nan 8.310 nan 0.000 0.572 346 F N 1.944 121.961 119.950 0.112 0.000 3.508 346 F HA 0.378 4.917 4.527 0.020 0.000 0.414 346 F C -1.388 174.448 175.800 0.060 0.000 1.119 346 F CA -0.670 57.300 58.000 -0.051 0.000 1.383 346 F CB 0.379 39.393 39.000 0.022 0.000 2.460 346 F HN 0.817 nan 8.300 nan 0.000 0.737 347 Y N 0.952 121.058 120.300 -0.323 0.000 2.655 347 Y HA 0.780 5.343 4.550 0.021 0.000 0.336 347 Y C -2.003 173.676 175.900 -0.369 0.000 1.154 347 Y CA -2.301 55.760 58.100 -0.066 0.000 1.055 347 Y CB 1.139 39.681 38.460 0.137 0.000 1.295 347 Y HN 0.121 nan 8.280 nan 0.000 0.465 348 F N 1.333 121.342 119.950 0.098 0.000 2.427 348 F HA 0.409 4.949 4.527 0.021 0.000 0.346 348 F C 0.103 175.997 175.800 0.155 0.000 1.120 348 F CA -0.539 57.447 58.000 -0.023 0.000 1.033 348 F CB 1.759 40.779 39.000 0.032 0.000 1.126 348 F HN 0.548 nan 8.300 nan 0.000 0.462 349 E N 3.211 123.516 120.200 0.176 0.000 2.109 349 E HA 0.484 4.846 4.350 0.021 0.000 0.278 349 E C -1.466 175.279 176.600 0.242 0.000 0.954 349 E CA -0.508 56.040 56.400 0.246 0.000 0.779 349 E CB 1.315 31.096 29.700 0.136 0.000 1.093 349 E HN 0.390 nan 8.360 nan 0.000 0.401 350 V N 5.397 125.513 119.914 0.337 0.000 2.378 350 V HA 0.188 4.320 4.120 0.021 0.000 0.288 350 V C 0.026 176.334 176.094 0.358 0.000 1.016 350 V CA -1.061 61.444 62.300 0.342 0.000 0.840 350 V CB 1.371 33.400 31.823 0.344 0.000 0.994 350 V HN 0.830 nan 8.190 nan 0.000 0.431 351 N N 4.163 123.019 118.700 0.261 0.000 2.705 351 N HA -0.231 4.522 4.740 0.021 0.000 0.255 351 N C 1.259 176.864 175.510 0.158 0.000 1.008 351 N CA 1.308 54.478 53.050 0.199 0.000 0.742 351 N CB -0.893 37.721 38.487 0.211 0.000 0.906 351 N HN 1.547 nan 8.380 nan 0.000 0.541 352 G N -1.506 107.382 108.800 0.147 0.000 2.184 352 G HA2 -0.312 3.660 3.960 0.021 0.000 0.264 352 G HA3 -0.312 3.660 3.960 0.021 0.000 0.264 352 G C 0.031 175.015 174.900 0.139 0.000 0.975 352 G CA 0.596 45.766 45.100 0.117 0.000 0.642 352 G HN 0.468 nan 8.290 nan 0.000 0.536 353 I N 0.967 121.657 120.570 0.201 0.000 2.404 353 I HA 0.380 4.562 4.170 0.021 0.000 0.293 353 I C -2.384 173.963 176.117 0.385 0.000 0.992 353 I CA -3.348 58.075 61.300 0.205 0.000 1.149 353 I CB 1.453 39.454 38.000 0.003 0.000 1.315 353 I HN -0.219 nan 8.210 nan 0.000 0.446 354 P HA 0.214 nan 4.420 nan 0.000 0.271 354 P C -0.389 177.217 177.300 0.511 0.000 1.226 354 P CA -0.055 63.282 63.100 0.395 0.000 0.765 354 P CB 0.533 32.333 31.700 0.166 0.000 0.835 355 M N 5.740 125.624 119.600 0.472 0.000 2.043 355 M HA 0.347 4.840 4.480 0.021 0.000 0.322 355 M C -0.934 175.516 176.300 0.251 0.000 0.962 355 M CA -1.141 54.337 55.300 0.297 0.000 0.927 355 M CB 0.321 32.875 32.600 -0.077 0.000 1.466 355 M HN 0.159 nan 8.290 nan 0.000 0.412 356 F N 4.193 124.217 119.950 0.124 0.000 2.590 356 F HA 0.297 4.836 4.527 0.020 0.000 0.389 356 F C 0.225 175.989 175.800 -0.060 0.000 1.049 356 F CA 0.030 58.068 58.000 0.063 0.000 1.199 356 F CB 0.523 39.548 39.000 0.042 0.000 1.058 356 F HN 0.668 nan 8.300 nan 0.000 0.556 357 A N 7.213 129.815 122.820 -0.363 0.000 2.366 357 A HA 0.485 4.817 4.320 0.021 0.000 0.272 357 A C -0.605 176.766 177.584 -0.355 0.000 1.135 357 A CA -0.595 51.266 52.037 -0.294 0.000 0.804 357 A CB 0.371 19.306 19.000 -0.109 0.000 1.064 357 A HN 0.810 nan 8.150 nan 0.000 0.499 358 K N 1.870 122.029 120.400 -0.403 0.000 2.578 358 K HA 0.622 4.954 4.320 0.021 0.000 0.250 358 K C -0.020 176.122 176.600 -0.764 0.000 0.955 358 K CA -0.169 55.619 56.287 -0.832 0.000 0.825 358 K CB 2.252 34.003 32.500 -1.250 0.000 1.151 358 K HN 1.064 nan 8.250 nan 0.000 0.432 359 G N 0.964 109.473 108.800 -0.484 0.000 2.435 359 G HA2 0.701 4.673 3.960 0.021 0.000 0.296 359 G HA3 0.701 4.673 3.960 0.021 0.000 0.296 359 G C -1.864 172.832 174.900 -0.341 0.000 1.240 359 G CA -0.251 44.674 45.100 -0.292 0.000 0.872 359 G HN 0.628 nan 8.290 nan 0.000 0.480 360 A N -0.844 121.684 122.820 -0.487 0.000 2.594 360 A HA 0.767 5.100 4.320 0.021 0.000 0.291 360 A C -0.932 176.362 177.584 -0.483 0.000 1.105 360 A CA -0.749 50.828 52.037 -0.766 0.000 0.694 360 A CB 1.156 19.446 19.000 -1.184 0.000 1.291 360 A HN 0.574 nan 8.150 nan 0.000 0.410 361 N N 0.925 119.327 118.700 -0.497 0.000 2.430 361 N HA 0.253 5.005 4.740 0.021 0.000 0.265 361 N C -1.393 173.809 175.510 -0.512 0.000 1.100 361 N CA 0.332 53.148 53.050 -0.389 0.000 0.961 361 N CB 1.037 39.362 38.487 -0.269 0.000 1.075 361 N HN 0.638 nan 8.380 nan 0.000 0.478 362 Y N 3.990 124.039 120.300 -0.418 0.000 2.334 362 Y HA 0.447 5.009 4.550 0.020 0.000 0.328 362 Y C 0.072 175.748 175.900 -0.373 0.000 1.130 362 Y CA -0.753 57.104 58.100 -0.406 0.000 1.163 362 Y CB 0.624 38.955 38.460 -0.215 0.000 1.207 362 Y HN 0.439 nan 8.280 nan 0.000 0.471 363 I N 3.142 123.002 120.570 -1.184 0.000 3.133 363 I HA 0.744 4.927 4.170 0.021 0.000 0.311 363 I C -2.799 172.557 176.117 -1.268 0.000 1.072 363 I CA -3.281 57.417 61.300 -1.003 0.000 1.015 363 I CB 1.829 39.140 38.000 -1.148 0.000 1.233 363 I HN 0.381 nan 8.210 nan 0.000 0.473 364 P HA 0.103 nan 4.420 nan 0.000 0.267 364 P C -0.604 176.424 177.300 -0.452 0.000 1.200 364 P CA 0.079 62.818 63.100 -0.601 0.000 0.772 364 P CB 0.447 31.711 31.700 -0.728 0.000 0.855 365 Q N 0.278 119.939 119.800 -0.233 0.000 2.432 365 Q HA 0.034 4.386 4.340 0.021 0.000 0.205 365 Q C 0.289 176.344 176.000 0.092 0.000 0.945 365 Q CA 0.917 56.643 55.803 -0.129 0.000 0.924 365 Q CB 0.259 28.910 28.738 -0.144 0.000 1.016 365 Q HN 0.524 nan 8.270 nan 0.000 0.503 366 D N -2.374 118.119 120.400 0.155 0.000 2.655 366 D HA 0.252 4.904 4.640 0.021 0.000 0.229 366 D C -0.348 176.160 176.300 0.347 0.000 1.229 366 D CA -0.069 54.128 54.000 0.328 0.000 0.807 366 D CB 1.572 42.574 40.800 0.335 0.000 1.514 366 D HN -0.064 nan 8.370 nan 0.000 0.444 367 A N 2.154 125.181 122.820 0.346 0.000 2.024 367 A HA -0.016 4.317 4.320 0.021 0.000 0.220 367 A C 1.008 178.646 177.584 0.090 0.000 1.164 367 A CA 1.049 53.213 52.037 0.211 0.000 0.643 367 A CB -0.159 18.932 19.000 0.152 0.000 0.806 367 A HN 0.468 nan 8.150 nan 0.000 0.451 368 L N 0.319 121.624 121.223 0.138 0.000 2.337 368 L HA 0.302 4.654 4.340 0.021 0.000 0.269 368 L C 0.545 177.503 176.870 0.146 0.000 1.018 368 L CA -0.488 54.387 54.840 0.059 0.000 0.876 368 L CB 1.353 43.412 42.059 -0.000 0.000 1.236 368 L HN 0.204 nan 8.230 nan 0.000 0.436 369 L N 3.047 124.380 121.223 0.183 0.000 2.079 369 L HA -0.111 4.241 4.340 0.021 0.000 0.210 369 L C -0.451 176.595 176.870 0.294 0.000 1.081 369 L CA 1.382 56.396 54.840 0.290 0.000 0.752 369 L CB -1.058 41.249 42.059 0.413 0.000 0.896 369 L HN 0.515 nan 8.230 nan 0.000 0.433 370 P HA -0.045 nan 4.420 nan 0.000 0.234 370 P C 0.687 178.076 177.300 0.149 0.000 1.167 370 P CA 0.819 64.030 63.100 0.186 0.000 0.763 370 P CB -0.056 31.712 31.700 0.114 0.000 0.835 371 N N -0.871 117.915 118.700 0.142 0.000 2.457 371 N HA -0.024 4.728 4.740 0.021 0.000 0.180 371 N C 0.126 175.719 175.510 0.138 0.000 1.050 371 N CA 0.401 53.527 53.050 0.126 0.000 0.906 371 N CB -0.405 38.157 38.487 0.126 0.000 0.968 371 N HN 0.025 nan 8.380 nan 0.000 0.445 372 V N 2.555 122.564 119.914 0.159 0.000 2.446 372 V HA 0.057 4.189 4.120 0.021 0.000 0.276 372 V C 0.886 177.101 176.094 0.202 0.000 1.030 372 V CA -0.317 62.049 62.300 0.110 0.000 1.033 372 V CB -0.020 31.799 31.823 -0.007 0.000 0.993 372 V HN 0.245 nan 8.190 nan 0.000 0.477 373 T N 1.360 116.009 114.554 0.159 0.000 2.849 373 T HA 0.155 4.517 4.350 0.021 0.000 0.284 373 T C 1.413 176.284 174.700 0.284 0.000 1.004 373 T CA -0.027 62.186 62.100 0.188 0.000 1.021 373 T CB 1.082 70.024 68.868 0.123 0.000 1.013 373 T HN 0.570 nan 8.240 nan 0.000 0.527 374 T N 1.248 115.938 114.554 0.227 0.000 2.653 374 T HA -0.151 4.211 4.350 0.021 0.000 0.268 374 T C 1.784 176.612 174.700 0.213 0.000 1.035 374 T CA 2.073 64.302 62.100 0.215 0.000 1.154 374 T CB -0.502 68.432 68.868 0.111 0.000 0.862 374 T HN 0.747 nan 8.240 nan 0.000 0.441 375 E N 0.843 121.131 120.200 0.147 0.000 2.077 375 E HA -0.061 4.302 4.350 0.021 0.000 0.193 375 E C 2.399 179.068 176.600 0.114 0.000 0.989 375 E CA 0.988 57.455 56.400 0.112 0.000 0.800 375 E CB -0.226 29.522 29.700 0.080 0.000 0.746 375 E HN 0.416 nan 8.360 nan 0.000 0.452 376 R N -0.690 119.869 120.500 0.098 0.000 2.091 376 R HA -0.149 4.203 4.340 0.021 0.000 0.238 376 R C 2.121 178.453 176.300 0.054 0.000 1.136 376 R CA 1.392 57.511 56.100 0.032 0.000 0.959 376 R CB -0.418 29.855 30.300 -0.044 0.000 0.856 376 R HN 0.265 nan 8.270 nan 0.000 0.437 377 Y N 1.026 121.400 120.300 0.124 0.000 2.242 377 Y HA -0.195 4.366 4.550 0.019 0.000 0.291 377 Y C 2.474 178.483 175.900 0.183 0.000 1.137 377 Y CA 1.454 59.662 58.100 0.180 0.000 1.181 377 Y CB -0.073 38.487 38.460 0.167 0.000 0.989 377 Y HN 0.112 nan 8.280 nan 0.000 0.527 378 Q N -1.100 118.864 119.800 0.273 0.000 2.119 378 Q HA -0.150 4.202 4.340 0.021 0.000 0.201 378 Q C 2.098 178.200 176.000 0.170 0.000 0.972 378 Q CA 1.938 57.853 55.803 0.186 0.000 0.847 378 Q CB -0.295 28.513 28.738 0.116 0.000 0.903 378 Q HN 0.371 nan 8.270 nan 0.000 0.433 379 T N 1.329 115.960 114.554 0.129 0.000 2.821 379 T HA -0.099 4.264 4.350 0.021 0.000 0.267 379 T C 1.637 176.379 174.700 0.070 0.000 1.046 379 T CA 0.583 62.739 62.100 0.093 0.000 1.139 379 T CB -0.160 68.745 68.868 0.063 0.000 0.871 379 T HN 0.085 nan 8.240 nan 0.000 0.454 380 L N 0.806 122.054 121.223 0.040 0.000 2.012 380 L HA 0.027 4.380 4.340 0.021 0.000 0.210 380 L C 1.895 178.652 176.870 -0.189 0.000 1.073 380 L CA 1.697 56.487 54.840 -0.083 0.000 0.748 380 L CB -1.333 40.675 42.059 -0.085 0.000 0.891 380 L HN 0.207 nan 8.230 nan 0.000 0.431 381 F N -0.119 119.783 119.950 -0.079 0.000 2.171 381 F HA -0.165 4.374 4.527 0.020 0.000 0.300 381 F C 2.786 178.562 175.800 -0.041 0.000 1.090 381 F CA 1.660 59.591 58.000 -0.114 0.000 1.293 381 F CB -0.444 38.458 39.000 -0.163 0.000 1.013 381 F HN 0.121 nan 8.300 nan 0.000 0.486 382 R N 0.584 121.167 120.500 0.139 0.000 2.081 382 R HA -0.162 4.190 4.340 0.021 0.000 0.235 382 R C 1.735 178.129 176.300 0.157 0.000 1.131 382 R CA 1.933 58.112 56.100 0.132 0.000 0.960 382 R CB -0.442 29.933 30.300 0.125 0.000 0.856 382 R HN 0.153 nan 8.270 nan 0.000 0.436 383 D N 0.355 120.835 120.400 0.134 0.000 2.149 383 D HA -0.201 4.451 4.640 0.021 0.000 0.198 383 D C 1.933 178.273 176.300 0.067 0.000 0.990 383 D CA 1.512 55.594 54.000 0.136 0.000 0.839 383 D CB -0.105 40.624 40.800 -0.118 0.000 0.948 383 D HN 0.376 nan 8.370 nan 0.000 0.460 384 M N 0.037 119.603 119.600 -0.057 0.000 2.160 384 M HA -0.072 4.421 4.480 0.021 0.000 0.264 384 M C 2.252 178.542 176.300 -0.017 0.000 1.073 384 M CA 0.916 56.161 55.300 -0.092 0.000 1.142 384 M CB -0.106 32.319 32.600 -0.292 0.000 1.358 384 M HN -0.147 nan 8.290 nan 0.000 0.422 385 K N 0.990 121.402 120.400 0.021 0.000 2.063 385 K HA -0.187 4.145 4.320 0.021 0.000 0.208 385 K C 1.561 178.211 176.600 0.084 0.000 1.048 385 K CA 1.606 57.919 56.287 0.044 0.000 0.928 385 K CB -0.005 32.533 32.500 0.064 0.000 0.713 385 K HN 0.358 nan 8.250 nan 0.000 0.442 386 E N -0.605 119.689 120.200 0.157 0.000 2.347 386 E HA -0.099 4.263 4.350 0.021 0.000 0.196 386 E C 1.088 177.822 176.600 0.223 0.000 1.008 386 E CA 0.599 57.137 56.400 0.230 0.000 0.852 386 E CB 0.135 30.054 29.700 0.365 0.000 0.783 386 E HN 0.346 nan 8.360 nan 0.000 0.505 387 A N 1.057 123.945 122.820 0.113 0.000 2.337 387 A HA 0.043 4.376 4.320 0.021 0.000 0.227 387 A C 0.174 177.811 177.584 0.089 0.000 1.259 387 A CA -0.225 51.802 52.037 -0.016 0.000 0.870 387 A CB -0.048 18.723 19.000 -0.382 0.000 0.927 387 A HN 0.195 nan 8.150 nan 0.000 0.497 388 N N -1.115 117.635 118.700 0.083 0.000 2.776 388 N HA -0.150 4.602 4.740 0.021 0.000 0.250 388 N C -0.214 175.281 175.510 -0.025 0.000 1.112 388 N CA 1.220 54.308 53.050 0.063 0.000 0.733 388 N CB -1.587 36.972 38.487 0.119 0.000 1.097 388 N HN 0.616 nan 8.380 nan 0.000 0.558 389 M N 0.769 120.333 119.600 -0.060 0.000 2.255 389 M HA 0.117 4.609 4.480 0.021 0.000 0.336 389 M C 1.359 177.529 176.300 -0.215 0.000 1.135 389 M CA 0.124 55.301 55.300 -0.205 0.000 1.145 389 M CB 0.480 32.980 32.600 -0.165 0.000 1.473 389 M HN 0.134 nan 8.290 nan 0.000 0.462 390 N N 1.433 119.964 118.700 -0.282 0.000 2.170 390 N HA 0.312 5.064 4.740 0.021 0.000 0.222 390 N C -0.668 174.713 175.510 -0.214 0.000 1.218 390 N CA -0.240 52.661 53.050 -0.248 0.000 0.889 390 N CB 0.798 39.092 38.487 -0.322 0.000 1.083 390 N HN 0.711 nan 8.380 nan 0.000 0.520 391 M N 0.090 119.560 119.600 -0.218 0.000 2.426 391 M HA 0.428 4.920 4.480 0.021 0.000 0.289 391 M C -2.249 173.944 176.300 -0.177 0.000 1.168 391 M CA -0.794 54.398 55.300 -0.179 0.000 0.933 391 M CB 2.211 34.687 32.600 -0.207 0.000 1.750 391 M HN -0.176 nan 8.290 nan 0.000 0.494 392 V N 3.867 123.706 119.914 -0.125 0.000 2.789 392 V HA 0.700 4.833 4.120 0.021 0.000 0.311 392 V C -1.445 174.624 176.094 -0.043 0.000 1.073 392 V CA -0.573 61.648 62.300 -0.131 0.000 0.921 392 V CB 2.379 34.099 31.823 -0.172 0.000 1.009 392 V HN 0.956 nan 8.190 nan 0.000 0.426 393 R N 5.950 126.388 120.500 -0.103 0.000 2.295 393 R HA 0.583 4.935 4.340 0.021 0.000 0.324 393 R C -0.954 175.340 176.300 -0.010 0.000 0.968 393 R CA -0.594 55.426 56.100 -0.133 0.000 0.837 393 R CB 1.142 31.155 30.300 -0.478 0.000 1.133 393 R HN 0.765 nan 8.270 nan 0.000 0.450 394 I N 5.835 126.441 120.570 0.060 0.000 2.294 394 I HA 0.098 4.281 4.170 0.021 0.000 0.295 394 I C -0.021 176.183 176.117 0.145 0.000 1.098 394 I CA -0.482 60.874 61.300 0.092 0.000 1.277 394 I CB 0.200 38.163 38.000 -0.061 0.000 1.434 394 I HN 0.631 nan 8.210 nan 0.000 0.498 395 W N 6.295 127.578 121.300 -0.028 0.000 2.170 395 W HA 0.327 4.999 4.660 0.020 0.000 0.336 395 W C 1.239 177.744 176.519 -0.023 0.000 1.283 395 W CA -0.443 56.922 57.345 0.033 0.000 1.224 395 W CB 0.927 30.496 29.460 0.182 0.000 1.132 395 W HN 0.552 nan 8.180 nan 0.000 0.571 396 G N 2.461 110.868 108.800 -0.655 0.000 2.956 396 G HA2 0.063 4.035 3.960 0.021 0.000 0.207 396 G HA3 0.063 4.035 3.960 0.021 0.000 0.207 396 G C 0.961 175.244 174.900 -1.029 0.000 1.162 396 G CA 0.332 45.022 45.100 -0.683 0.000 0.796 396 G HN 0.854 nan 8.290 nan 0.000 0.527 397 G N -0.398 107.165 108.800 -2.061 0.000 3.088 397 G HA2 0.411 4.383 3.960 0.021 0.000 0.217 397 G HA3 0.411 4.383 3.960 0.021 0.000 0.217 397 G C 0.887 175.345 174.900 -0.735 0.000 1.159 397 G CA 0.681 44.783 45.100 -1.664 0.000 0.760 397 G HN 0.495 nan 8.290 nan 0.000 0.550 398 G N 0.178 108.650 108.800 -0.545 0.000 3.411 398 G HA2 0.483 4.455 3.960 0.021 0.000 0.186 398 G HA3 0.483 4.455 3.960 0.021 0.000 0.186 398 G C 0.180 174.981 174.900 -0.165 0.000 1.766 398 G CA 0.687 45.633 45.100 -0.257 0.000 0.971 398 G HN 0.617 nan 8.290 nan 0.000 0.590 399 T N -2.924 111.546 114.554 -0.141 0.000 2.906 399 T HA 0.550 4.913 4.350 0.021 0.000 0.295 399 T C -1.124 173.463 174.700 -0.188 0.000 1.075 399 T CA -0.745 61.322 62.100 -0.055 0.000 1.005 399 T CB 1.506 70.560 68.868 0.310 0.000 1.136 399 T HN 0.284 nan 8.240 nan 0.000 0.498 400 Y N 1.643 121.941 120.300 -0.004 0.000 2.605 400 Y HA 0.269 4.831 4.550 0.020 0.000 0.336 400 Y C 1.435 177.442 175.900 0.178 0.000 1.111 400 Y CA -0.323 57.817 58.100 0.067 0.000 1.422 400 Y CB 0.156 38.671 38.460 0.091 0.000 1.193 400 Y HN 0.532 nan 8.280 nan 0.000 0.526 401 E N 2.781 123.102 120.200 0.201 0.000 2.410 401 E HA -0.023 4.339 4.350 0.021 0.000 0.255 401 E C 0.005 176.742 176.600 0.229 0.000 1.194 401 E CA -0.275 56.186 56.400 0.102 0.000 0.955 401 E CB 0.412 29.817 29.700 -0.492 0.000 0.988 401 E HN 0.739 nan 8.360 nan 0.000 0.461 402 N N 1.242 120.045 118.700 0.171 0.000 2.354 402 N HA -0.023 4.730 4.740 0.021 0.000 0.246 402 N C 0.518 176.084 175.510 0.093 0.000 1.285 402 N CA -0.197 52.903 53.050 0.083 0.000 0.925 402 N CB 0.246 38.720 38.487 -0.021 0.000 1.174 402 N HN 0.202 nan 8.380 nan 0.000 0.478 403 N N -0.109 118.613 118.700 0.037 0.000 2.104 403 N HA -0.158 4.595 4.740 0.021 0.000 0.190 403 N C 1.483 176.998 175.510 0.007 0.000 1.024 403 N CA 0.786 53.871 53.050 0.058 0.000 0.853 403 N CB -0.602 37.917 38.487 0.054 0.000 1.008 403 N HN 0.570 nan 8.380 nan 0.000 0.424 404 L N 0.620 121.779 121.223 -0.106 0.000 2.043 404 L HA -0.131 4.222 4.340 0.021 0.000 0.212 404 L C 2.100 178.817 176.870 -0.256 0.000 1.075 404 L CA 1.438 56.156 54.840 -0.204 0.000 0.752 404 L CB -1.000 40.856 42.059 -0.339 0.000 0.891 404 L HN 0.122 nan 8.230 nan 0.000 0.432 405 F N -1.026 118.683 119.950 -0.402 0.000 2.095 405 F HA -0.318 4.221 4.527 0.020 0.000 0.298 405 F C 2.041 177.555 175.800 -0.475 0.000 1.104 405 F CA 1.872 59.678 58.000 -0.323 0.000 1.232 405 F CB -0.377 38.556 39.000 -0.112 0.000 0.987 405 F HN 0.144 nan 8.300 nan 0.000 0.475 406 Y N 0.398 120.615 120.300 -0.138 0.000 2.395 406 Y HA -0.157 4.405 4.550 0.020 0.000 0.293 406 Y C 2.267 177.871 175.900 -0.494 0.000 1.123 406 Y CA 1.168 59.005 58.100 -0.439 0.000 1.227 406 Y CB -0.541 37.355 38.460 -0.939 0.000 1.012 406 Y HN 0.067 nan 8.280 nan 0.000 0.552 407 D N 0.112 120.400 120.400 -0.186 0.000 2.117 407 D HA -0.162 4.491 4.640 0.021 0.000 0.197 407 D C 2.172 178.325 176.300 -0.245 0.000 0.987 407 D CA 1.199 55.152 54.000 -0.078 0.000 0.829 407 D CB -0.333 40.453 40.800 -0.024 0.000 0.961 407 D HN 0.309 nan 8.370 nan 0.000 0.460 408 L N 0.595 121.494 121.223 -0.540 0.000 2.083 408 L HA -0.140 4.212 4.340 0.021 0.000 0.209 408 L C 2.514 178.839 176.870 -0.908 0.000 1.083 408 L CA 1.101 55.444 54.840 -0.829 0.000 0.752 408 L CB -0.365 40.873 42.059 -1.370 0.000 0.899 408 L HN -0.025 nan 8.230 nan 0.000 0.433 409 A N -0.333 121.894 122.820 -0.989 0.000 1.930 409 A HA -0.195 4.138 4.320 0.021 0.000 0.217 409 A C 1.881 179.467 177.584 0.005 0.000 1.175 409 A CA 1.658 53.485 52.037 -0.349 0.000 0.627 409 A CB -0.410 18.455 19.000 -0.224 0.000 0.815 409 A HN 0.324 nan 8.150 nan 0.000 0.443 410 D N 0.318 120.721 120.400 0.005 0.000 2.092 410 D HA -0.186 4.466 4.640 0.021 0.000 0.193 410 D C 1.918 178.432 176.300 0.357 0.000 0.994 410 D CA 1.785 55.925 54.000 0.234 0.000 0.828 410 D CB -0.437 40.458 40.800 0.158 0.000 0.963 410 D HN 0.864 nan 8.370 nan 0.000 0.450 411 E N -0.285 119.985 120.200 0.116 0.000 2.502 411 E HA 0.011 4.374 4.350 0.021 0.000 0.194 411 E C 0.816 177.434 176.600 0.031 0.000 1.062 411 E CA 0.307 56.759 56.400 0.087 0.000 0.867 411 E CB -0.053 29.662 29.700 0.026 0.000 0.888 411 E HN 0.150 nan 8.360 nan 0.000 0.510 412 N N 0.681 119.396 118.700 0.025 0.000 2.203 412 N HA 0.069 4.821 4.740 0.021 0.000 0.207 412 N C 0.567 176.073 175.510 -0.006 0.000 1.130 412 N CA 0.637 53.699 53.050 0.021 0.000 0.861 412 N CB 1.402 39.938 38.487 0.081 0.000 1.005 412 N HN 0.364 nan 8.380 nan 0.000 0.507 413 G N 1.583 110.381 108.800 -0.004 0.000 2.221 413 G HA2 -0.226 3.746 3.960 0.021 0.000 0.265 413 G HA3 -0.226 3.746 3.960 0.021 0.000 0.265 413 G C -0.149 174.750 174.900 -0.002 0.000 1.041 413 G CA -0.124 44.847 45.100 -0.215 0.000 0.807 413 G HN 0.229 nan 8.290 nan 0.000 0.502 414 I N 0.576 121.249 120.570 0.172 0.000 2.330 414 I HA 0.381 4.563 4.170 0.021 0.000 0.289 414 I C 0.705 176.918 176.117 0.159 0.000 1.001 414 I CA -1.298 60.059 61.300 0.095 0.000 1.193 414 I CB 1.089 39.144 38.000 0.092 0.000 1.345 414 I HN -0.104 nan 8.210 nan 0.000 0.461 415 L N 6.984 128.267 121.223 0.099 0.000 2.456 415 L HA 0.129 4.481 4.340 0.021 0.000 0.272 415 L C 0.229 177.111 176.870 0.020 0.000 1.189 415 L CA 0.393 55.274 54.840 0.069 0.000 0.846 415 L CB 0.597 42.625 42.059 -0.052 0.000 1.111 415 L HN 0.248 nan 8.230 nan 0.000 0.475 416 V N 2.647 122.590 119.914 0.048 0.000 2.417 416 V HA 0.265 4.398 4.120 0.021 0.000 0.291 416 V C -0.710 175.471 176.094 0.145 0.000 1.024 416 V CA -0.725 61.617 62.300 0.071 0.000 0.861 416 V CB 1.507 33.350 31.823 0.034 0.000 0.985 416 V HN 0.730 nan 8.190 nan 0.000 0.436 417 W N 6.048 127.334 121.300 -0.023 0.000 2.314 417 W HA 0.576 5.249 4.660 0.021 0.000 0.310 417 W C -0.538 175.962 176.519 -0.032 0.000 1.075 417 W CA -1.265 56.096 57.345 0.027 0.000 1.253 417 W CB 1.388 30.924 29.460 0.128 0.000 1.238 417 W HN 0.638 nan 8.180 nan 0.000 0.440 418 Q N 4.734 124.637 119.800 0.172 0.000 2.372 418 Q HA 0.231 4.584 4.340 0.021 0.000 0.259 418 Q C -0.774 175.315 176.000 0.148 0.000 0.993 418 Q CA -0.113 55.699 55.803 0.015 0.000 0.854 418 Q CB 0.733 29.198 28.738 -0.455 0.000 1.231 418 Q HN 0.298 nan 8.270 nan 0.000 0.462 419 D N 2.994 123.540 120.400 0.243 0.000 2.362 419 D HA 0.150 4.803 4.640 0.021 0.000 0.242 419 D C -0.355 176.018 176.300 0.122 0.000 1.132 419 D CA 0.128 54.284 54.000 0.260 0.000 0.907 419 D CB 0.426 41.336 40.800 0.183 0.000 1.195 419 D HN 0.426 nan 8.370 nan 0.000 0.429 420 F N 0.530 120.721 119.950 0.401 0.000 2.440 420 F HA 0.129 4.668 4.527 0.021 0.000 0.323 420 F C 1.444 177.183 175.800 -0.102 0.000 1.192 420 F CA -0.366 57.843 58.000 0.347 0.000 1.252 420 F CB 0.380 39.761 39.000 0.635 0.000 1.214 420 F HN 0.019 nan 8.300 nan 0.000 0.578 421 M N 3.217 122.557 119.600 -0.433 0.000 3.561 421 M HA 0.227 4.720 4.480 0.021 0.000 0.230 421 M C -1.567 174.167 176.300 -0.942 0.000 1.387 421 M CA 0.095 54.902 55.300 -0.822 0.000 1.570 421 M CB -1.555 30.266 32.600 -1.298 0.000 1.057 421 M HN 0.300 nan 8.290 nan 0.000 0.607 422 F N 0.480 120.358 119.950 -0.120 0.000 2.561 422 F HA 0.742 5.282 4.527 0.021 0.000 0.313 422 F C -0.158 175.676 175.800 0.057 0.000 1.126 422 F CA -0.985 56.946 58.000 -0.115 0.000 0.918 422 F CB 1.845 40.789 39.000 -0.093 0.000 1.199 422 F HN 0.328 nan 8.300 nan 0.000 0.444 423 A N 0.958 124.062 122.820 0.473 0.000 2.488 423 A HA 0.595 4.927 4.320 0.021 0.000 0.295 423 A C -0.010 177.927 177.584 0.588 0.000 1.045 423 A CA -0.698 51.573 52.037 0.390 0.000 0.703 423 A CB 0.745 19.767 19.000 0.037 0.000 1.271 423 A HN 1.163 nan 8.150 nan 0.000 0.400 424 C N 0.084 119.679 119.300 0.492 0.000 4.663 424 C HA -0.110 4.363 4.460 0.021 0.000 0.272 424 C C 0.863 176.081 174.990 0.379 0.000 1.566 424 C CA 1.606 60.914 59.018 0.483 0.000 1.735 424 C CB -2.384 25.710 27.740 0.590 0.000 1.857 424 C HN 1.794 nan 8.230 nan 0.000 0.674 425 T N 0.090 114.819 114.554 0.292 0.000 2.923 425 T HA 0.587 4.949 4.350 0.021 0.000 0.311 425 T C -2.861 171.923 174.700 0.140 0.000 1.183 425 T CA -1.008 61.176 62.100 0.139 0.000 1.020 425 T CB 2.357 71.148 68.868 -0.128 0.000 1.165 425 T HN -0.028 nan 8.240 nan 0.000 0.482 426 P HA 0.241 nan 4.420 nan 0.000 0.269 426 P C -1.194 176.138 177.300 0.054 0.000 1.215 426 P CA -0.024 63.236 63.100 0.268 0.000 0.780 426 P CB 0.429 32.261 31.700 0.220 0.000 0.898 427 Y N 0.217 120.601 120.300 0.140 0.000 2.650 427 Y HA 0.438 5.001 4.550 0.021 0.000 0.331 427 Y C -1.628 174.106 175.900 -0.277 0.000 1.082 427 Y CA -2.346 55.644 58.100 -0.183 0.000 1.171 427 Y CB 0.578 39.081 38.460 0.071 0.000 1.326 427 Y HN 0.261 nan 8.280 nan 0.000 0.513 428 P HA 0.041 nan 4.420 nan 0.000 0.270 428 P C -0.389 176.795 177.300 -0.194 0.000 1.227 428 P CA 0.253 63.102 63.100 -0.418 0.000 0.788 428 P CB 0.544 31.724 31.700 -0.867 0.000 0.926 429 S N -2.258 113.445 115.700 0.005 0.000 3.093 429 S HA 0.106 4.588 4.470 0.021 0.000 0.251 429 S C -0.017 174.648 174.600 0.109 0.000 0.905 429 S CA -0.703 57.556 58.200 0.098 0.000 1.124 429 S CB -0.628 62.589 63.200 0.028 0.000 1.124 429 S HN 0.491 nan 8.310 nan 0.000 0.574 430 D N 1.589 122.068 120.400 0.133 0.000 2.360 430 D HA 0.203 4.855 4.640 0.021 0.000 0.242 430 D C -1.968 174.412 176.300 0.133 0.000 1.184 430 D CA -1.189 52.881 54.000 0.117 0.000 0.930 430 D CB 0.593 41.462 40.800 0.115 0.000 1.161 430 D HN -0.065 nan 8.370 nan 0.000 0.447 431 P HA -0.143 nan 4.420 nan 0.000 0.216 431 P C 1.449 178.796 177.300 0.080 0.000 1.153 431 P CA 1.717 64.853 63.100 0.061 0.000 0.858 431 P CB 0.005 31.727 31.700 0.038 0.000 0.789 432 T N -1.090 113.530 114.554 0.110 0.000 2.708 432 T HA -0.163 4.200 4.350 0.021 0.000 0.266 432 T C 1.472 176.270 174.700 0.163 0.000 1.037 432 T CA 1.109 63.281 62.100 0.119 0.000 1.146 432 T CB -1.032 67.911 68.868 0.125 0.000 0.865 432 T HN 0.011 nan 8.240 nan 0.000 0.435 433 F N 1.828 121.819 119.950 0.068 0.000 2.095 433 F HA -0.079 4.460 4.527 0.021 0.000 0.298 433 F C 1.975 177.799 175.800 0.040 0.000 1.104 433 F CA 1.182 59.233 58.000 0.084 0.000 1.232 433 F CB -0.540 38.522 39.000 0.104 0.000 0.987 433 F HN 0.057 nan 8.300 nan 0.000 0.475 434 L N -0.129 121.128 121.223 0.057 0.000 2.042 434 L HA -0.298 4.054 4.340 0.021 0.000 0.210 434 L C 2.698 179.479 176.870 -0.149 0.000 1.076 434 L CA 1.928 56.703 54.840 -0.107 0.000 0.749 434 L CB -1.133 40.897 42.059 -0.048 0.000 0.893 434 L HN 0.050 nan 8.230 nan 0.000 0.432 435 K N 0.216 120.572 120.400 -0.073 0.000 2.057 435 K HA -0.147 4.185 4.320 0.021 0.000 0.207 435 K C 2.169 178.718 176.600 -0.084 0.000 1.049 435 K CA 1.382 57.631 56.287 -0.063 0.000 0.931 435 K CB -0.283 32.208 32.500 -0.014 0.000 0.714 435 K HN 0.383 nan 8.250 nan 0.000 0.440 436 R N -0.401 120.040 120.500 -0.099 0.000 2.081 436 R HA -0.036 4.317 4.340 0.021 0.000 0.235 436 R C 2.383 178.592 176.300 -0.151 0.000 1.131 436 R CA 1.655 57.696 56.100 -0.099 0.000 0.960 436 R CB -0.566 29.675 30.300 -0.098 0.000 0.856 436 R HN 0.192 nan 8.270 nan 0.000 0.436 437 V N 1.147 120.897 119.914 -0.273 0.000 2.358 437 V HA -0.241 3.891 4.120 0.021 0.000 0.246 437 V C 2.315 178.308 176.094 -0.170 0.000 1.047 437 V CA 1.867 64.037 62.300 -0.216 0.000 1.035 437 V CB -0.490 31.150 31.823 -0.304 0.000 0.658 437 V HN 0.404 nan 8.190 nan 0.000 0.452 438 E N 0.443 120.532 120.200 -0.185 0.000 2.058 438 E HA -0.269 4.093 4.350 0.021 0.000 0.194 438 E C 2.249 178.758 176.600 -0.153 0.000 0.997 438 E CA 1.570 57.866 56.400 -0.174 0.000 0.801 438 E CB -0.235 29.381 29.700 -0.141 0.000 0.746 438 E HN 0.560 nan 8.360 nan 0.000 0.450 439 A N 1.685 124.435 122.820 -0.116 0.000 1.908 439 A HA -0.271 4.061 4.320 0.021 0.000 0.218 439 A C 2.055 179.579 177.584 -0.099 0.000 1.181 439 A CA 1.960 53.934 52.037 -0.104 0.000 0.627 439 A CB -0.784 18.173 19.000 -0.072 0.000 0.818 439 A HN 0.610 nan 8.150 nan 0.000 0.445 440 E N -0.061 120.097 120.200 -0.070 0.000 2.150 440 E HA -0.007 4.356 4.350 0.021 0.000 0.193 440 E C 1.960 178.492 176.600 -0.112 0.000 0.985 440 E CA 1.055 57.438 56.400 -0.028 0.000 0.814 440 E CB -0.373 29.394 29.700 0.112 0.000 0.752 440 E HN 0.462 nan 8.360 nan 0.000 0.466 441 A N 1.543 124.284 122.820 -0.132 0.000 1.855 441 A HA -0.071 4.261 4.320 0.021 0.000 0.215 441 A C 2.514 179.930 177.584 -0.280 0.000 1.191 441 A CA 1.433 53.380 52.037 -0.150 0.000 0.613 441 A CB -0.792 18.049 19.000 -0.265 0.000 0.829 441 A HN 0.187 nan 8.150 nan 0.000 0.442 442 V N -1.169 118.539 119.914 -0.344 0.000 2.343 442 V HA -0.295 3.838 4.120 0.021 0.000 0.247 442 V C 2.397 178.220 176.094 -0.451 0.000 1.051 442 V CA 2.208 64.166 62.300 -0.571 0.000 1.036 442 V CB -1.080 30.365 31.823 -0.629 0.000 0.654 442 V HN 0.727 nan 8.190 nan 0.000 0.451 443 Y N 1.630 121.711 120.300 -0.365 0.000 2.145 443 Y HA -0.195 4.367 4.550 0.020 0.000 0.286 443 Y C 2.527 178.269 175.900 -0.263 0.000 1.145 443 Y CA 2.060 59.986 58.100 -0.289 0.000 1.148 443 Y CB -0.317 37.998 38.460 -0.241 0.000 0.981 443 Y HN 0.262 nan 8.280 nan 0.000 0.507 444 N N 0.480 118.997 118.700 -0.305 0.000 2.216 444 N HA -0.134 4.619 4.740 0.021 0.000 0.183 444 N C 1.940 177.312 175.510 -0.230 0.000 1.017 444 N CA 1.687 54.528 53.050 -0.347 0.000 0.861 444 N CB -0.167 38.039 38.487 -0.469 0.000 0.986 444 N HN 0.445 nan 8.380 nan 0.000 0.428 445 I N 1.332 121.721 120.570 -0.302 0.000 2.179 445 I HA -0.214 3.968 4.170 0.021 0.000 0.242 445 I C 2.398 178.375 176.117 -0.234 0.000 1.088 445 I CA 1.059 62.215 61.300 -0.240 0.000 1.357 445 I CB -0.106 37.623 38.000 -0.451 0.000 1.051 445 I HN 0.025 nan 8.210 nan 0.000 0.409 446 R N 0.092 120.367 120.500 -0.374 0.000 2.120 446 R HA -0.153 4.200 4.340 0.021 0.000 0.234 446 R C 2.415 178.502 176.300 -0.356 0.000 1.123 446 R CA 1.047 56.923 56.100 -0.374 0.000 0.975 446 R CB -0.297 29.775 30.300 -0.380 0.000 0.866 446 R HN 0.299 nan 8.270 nan 0.000 0.446 447 R N 0.752 120.989 120.500 -0.437 0.000 2.092 447 R HA -0.055 4.297 4.340 0.021 0.000 0.231 447 R C 1.687 177.827 176.300 -0.266 0.000 1.119 447 R CA 1.193 57.055 56.100 -0.396 0.000 0.970 447 R CB 0.060 30.035 30.300 -0.543 0.000 0.864 447 R HN 0.191 nan 8.270 nan 0.000 0.440 448 L N 0.497 121.582 121.223 -0.230 0.000 2.513 448 L HA 0.135 4.488 4.340 0.021 0.000 0.222 448 L C 2.096 178.869 176.870 -0.163 0.000 1.096 448 L CA 0.034 54.743 54.840 -0.219 0.000 0.857 448 L CB -0.078 41.728 42.059 -0.422 0.000 1.026 448 L HN 0.171 nan 8.230 nan 0.000 0.469 449 R N -0.217 120.180 120.500 -0.173 0.000 2.328 449 R HA -0.048 4.305 4.340 0.021 0.000 0.207 449 R C 0.899 177.085 176.300 -0.191 0.000 1.056 449 R CA 0.917 56.934 56.100 -0.138 0.000 1.016 449 R CB -0.467 29.694 30.300 -0.232 0.000 0.872 449 R HN 0.369 nan 8.270 nan 0.000 0.471 450 N N 0.419 118.883 118.700 -0.393 0.000 2.353 450 N HA -0.007 4.746 4.740 0.021 0.000 0.185 450 N C -0.399 174.792 175.510 -0.532 0.000 1.098 450 N CA 0.165 52.891 53.050 -0.540 0.000 0.872 450 N CB 0.165 38.033 38.487 -1.031 0.000 0.970 450 N HN 0.314 nan 8.380 nan 0.000 0.467 451 H N 0.625 119.515 119.070 -0.299 0.000 2.819 451 H HA 0.183 4.752 4.556 0.020 0.000 0.303 451 H C 1.035 176.178 175.328 -0.308 0.000 1.058 451 H CA -0.192 55.708 56.048 -0.248 0.000 1.471 451 H CB 1.478 31.151 29.762 -0.148 0.000 1.480 451 H HN 0.069 nan 8.280 nan 0.000 0.517 452 A N 3.408 126.023 122.820 -0.341 0.000 1.986 452 A HA -0.230 4.102 4.320 0.021 0.000 0.220 452 A C 2.379 179.455 177.584 -0.848 0.000 1.171 452 A CA 1.995 53.577 52.037 -0.759 0.000 0.640 452 A CB -0.446 17.736 19.000 -1.364 0.000 0.811 452 A HN 0.731 nan 8.150 nan 0.000 0.451 453 S N -0.994 114.438 115.700 -0.445 0.000 2.436 453 S HA 0.075 4.558 4.470 0.021 0.000 0.228 453 S C 0.733 175.296 174.600 -0.061 0.000 1.014 453 S CA 0.396 58.480 58.200 -0.194 0.000 0.950 453 S CB -0.689 62.531 63.200 0.034 0.000 0.784 453 S HN 0.450 nan 8.310 nan 0.000 0.504 454 L N 1.978 123.192 121.223 -0.015 0.000 2.534 454 L HA 0.506 4.858 4.340 0.021 0.000 0.271 454 L C 0.819 177.654 176.870 -0.058 0.000 1.178 454 L CA 0.293 55.124 54.840 -0.014 0.000 0.907 454 L CB 0.400 42.402 42.059 -0.095 0.000 1.164 454 L HN 0.225 nan 8.230 nan 0.000 0.482 455 A N 6.357 129.164 122.820 -0.021 0.000 2.026 455 A HA 0.478 4.810 4.320 0.021 0.000 0.201 455 A C 0.424 178.061 177.584 0.087 0.000 1.318 455 A CA 0.862 52.946 52.037 0.078 0.000 0.857 455 A CB 0.094 19.198 19.000 0.174 0.000 0.939 455 A HN 0.784 nan 8.150 nan 0.000 0.476 456 M N -4.526 115.056 119.600 -0.030 0.000 2.949 456 M HA 0.644 5.137 4.480 0.021 0.000 0.270 456 M C -2.244 173.900 176.300 -0.260 0.000 1.221 456 M CA -0.689 54.584 55.300 -0.044 0.000 0.818 456 M CB 1.006 33.602 32.600 -0.007 0.000 1.635 456 M HN 0.076 nan 8.290 nan 0.000 0.492 457 W N 0.405 121.662 121.300 -0.073 0.000 2.761 457 W HA 0.775 5.447 4.660 0.021 0.000 0.340 457 W C -1.209 175.230 176.519 -0.133 0.000 1.072 457 W CA -0.376 56.946 57.345 -0.039 0.000 1.215 457 W CB 2.082 31.630 29.460 0.146 0.000 1.420 457 W HN 0.889 nan 8.180 nan 0.000 0.519 458 C N 2.093 121.541 119.300 0.247 0.000 2.481 458 C HA 0.593 5.065 4.460 0.021 0.000 0.324 458 C C 1.471 176.696 174.990 0.392 0.000 1.170 458 C CA 0.112 59.185 59.018 0.091 0.000 1.361 458 C CB 0.413 28.315 27.740 0.270 0.000 1.977 458 C HN 0.996 nan 8.230 nan 0.000 0.459 459 G N 4.297 113.220 108.800 0.204 0.000 2.469 459 G HA2 -0.019 3.954 3.960 0.021 0.000 0.219 459 G HA3 -0.019 3.954 3.960 0.021 0.000 0.219 459 G C 0.296 175.488 174.900 0.486 0.000 1.150 459 G CA 1.590 47.049 45.100 0.598 0.000 0.763 459 G HN 1.167 nan 8.290 nan 0.000 0.561 460 N N -2.766 116.033 118.700 0.165 0.000 3.116 460 N HA 0.224 4.977 4.740 0.021 0.000 0.244 460 N C -1.616 173.979 175.510 0.143 0.000 1.485 460 N CA -0.898 52.210 53.050 0.096 0.000 0.884 460 N CB 0.611 38.880 38.487 -0.364 0.000 1.415 460 N HN -0.010 nan 8.380 nan 0.000 0.524 461 N N -0.021 118.778 118.700 0.165 0.000 2.426 461 N HA 0.262 5.015 4.740 0.021 0.000 0.257 461 N C -0.844 174.810 175.510 0.239 0.000 1.002 461 N CA -0.089 53.120 53.050 0.265 0.000 0.942 461 N CB 0.366 39.048 38.487 0.325 0.000 1.112 461 N HN 0.783 nan 8.380 nan 0.000 0.499 462 E N 1.342 121.638 120.200 0.160 0.000 3.673 462 E HA -0.285 4.077 4.350 0.021 0.000 0.309 462 E C 0.696 177.222 176.600 -0.122 0.000 0.819 462 E CA 0.645 57.073 56.400 0.047 0.000 1.111 462 E CB -1.203 28.639 29.700 0.236 0.000 1.561 462 E HN 0.674 nan 8.360 nan 0.000 0.450 463 I N -0.073 120.479 120.570 -0.030 0.000 2.226 463 I HA -0.250 3.932 4.170 0.021 0.000 0.245 463 I C 2.405 178.412 176.117 -0.184 0.000 1.100 463 I CA 1.181 62.470 61.300 -0.018 0.000 1.374 463 I CB -0.227 37.846 38.000 0.123 0.000 1.057 463 I HN 0.159 nan 8.210 nan 0.000 0.413 464 L N 1.097 122.179 121.223 -0.234 0.000 2.056 464 L HA -0.199 4.153 4.340 0.021 0.000 0.207 464 L C 2.446 179.090 176.870 -0.377 0.000 1.078 464 L CA 1.848 56.426 54.840 -0.438 0.000 0.749 464 L CB -0.693 41.196 42.059 -0.282 0.000 0.901 464 L HN 0.236 nan 8.230 nan 0.000 0.433 465 E N -0.432 119.594 120.200 -0.290 0.000 2.070 465 E HA -0.291 4.072 4.350 0.021 0.000 0.197 465 E C 2.087 178.223 176.600 -0.773 0.000 1.004 465 E CA 1.589 57.815 56.400 -0.289 0.000 0.805 465 E CB -0.249 29.364 29.700 -0.145 0.000 0.744 465 E HN 0.580 nan 8.360 nan 0.000 0.451 466 A N 0.608 122.743 122.820 -1.142 0.000 1.933 466 A HA -0.143 4.190 4.320 0.021 0.000 0.218 466 A C 2.217 179.240 177.584 -0.936 0.000 1.175 466 A CA 1.276 52.366 52.037 -1.577 0.000 0.628 466 A CB -0.592 17.797 19.000 -1.018 0.000 0.814 466 A HN 0.354 nan 8.150 nan 0.000 0.444 467 L N -1.179 119.758 121.223 -0.477 0.000 2.109 467 L HA -0.127 4.226 4.340 0.021 0.000 0.207 467 L C 2.519 179.245 176.870 -0.241 0.000 1.086 467 L CA 1.466 56.191 54.840 -0.192 0.000 0.760 467 L CB -0.227 41.707 42.059 -0.209 0.000 0.910 467 L HN 0.325 nan 8.230 nan 0.000 0.437 468 K N -1.363 118.733 120.400 -0.505 0.000 2.186 468 K HA -0.046 4.287 4.320 0.021 0.000 0.202 468 K C 0.945 177.087 176.600 -0.764 0.000 1.052 468 K CA 1.072 56.914 56.287 -0.740 0.000 0.965 468 K CB 0.256 32.033 32.500 -1.205 0.000 0.746 468 K HN 0.210 nan 8.250 nan 0.000 0.457 469 Y N -3.029 117.142 120.300 -0.215 0.000 2.540 469 Y HA 0.124 4.686 4.550 0.021 0.000 0.257 469 Y C 0.475 176.426 175.900 0.084 0.000 1.090 469 Y CA -0.835 57.219 58.100 -0.077 0.000 1.242 469 Y CB 0.425 38.869 38.460 -0.027 0.000 1.325 469 Y HN 0.055 nan 8.280 nan 0.000 0.544 470 W N 0.845 121.969 121.300 -0.292 0.000 3.330 470 W HA 0.551 5.224 4.660 0.020 0.000 0.348 470 W C 1.209 177.550 176.519 -0.296 0.000 1.205 470 W CA -0.222 56.916 57.345 -0.345 0.000 1.841 470 W CB -0.439 28.711 29.460 -0.516 0.000 1.084 470 W HN 0.180 nan 8.180 nan 0.000 0.665 471 G N 0.701 109.491 108.800 -0.017 0.000 2.272 471 G HA2 -0.345 3.628 3.960 0.021 0.000 0.280 471 G HA3 -0.345 3.628 3.960 0.021 0.000 0.280 471 G C 0.486 175.489 174.900 0.171 0.000 1.067 471 G CA 0.097 45.219 45.100 0.036 0.000 0.902 471 G HN 0.109 nan 8.290 nan 0.000 0.500 472 F N 1.036 121.069 119.950 0.138 0.000 2.293 472 F HA 0.040 4.579 4.527 0.021 0.000 0.297 472 F C 2.586 178.447 175.800 0.102 0.000 1.089 472 F CA 1.027 59.157 58.000 0.217 0.000 1.377 472 F CB -0.337 38.931 39.000 0.448 0.000 1.051 472 F HN 0.505 nan 8.300 nan 0.000 0.511 473 E N 1.452 121.631 120.200 -0.036 0.000 2.209 473 E HA -0.227 4.135 4.350 0.021 0.000 0.196 473 E C 1.799 178.292 176.600 -0.180 0.000 0.993 473 E CA 1.864 57.976 56.400 -0.480 0.000 0.819 473 E CB -0.993 28.126 29.700 -0.969 0.000 0.745 473 E HN 0.383 nan 8.360 nan 0.000 0.477 474 K N 1.625 121.970 120.400 -0.093 0.000 2.459 474 K HA 0.102 4.435 4.320 0.021 0.000 0.193 474 K C 1.920 178.442 176.600 -0.129 0.000 1.030 474 K CA 0.819 57.052 56.287 -0.089 0.000 1.026 474 K CB -0.377 32.087 32.500 -0.060 0.000 0.809 474 K HN 0.231 nan 8.250 nan 0.000 0.504 475 K N -1.273 119.002 120.400 -0.209 0.000 2.352 475 K HA 0.272 4.604 4.320 0.021 0.000 0.194 475 K C -0.768 175.365 176.600 -0.777 0.000 1.038 475 K CA 0.042 55.998 56.287 -0.551 0.000 1.023 475 K CB 0.311 32.295 32.500 -0.860 0.000 0.840 475 K HN 0.347 nan 8.250 nan 0.000 0.519 476 F N 0.116 120.040 119.950 -0.043 0.000 2.620 476 F HA 0.159 4.698 4.527 0.021 0.000 0.320 476 F C 0.600 176.352 175.800 -0.080 0.000 1.069 476 F CA -1.457 56.487 58.000 -0.094 0.000 0.953 476 F CB 0.963 39.863 39.000 -0.167 0.000 1.322 476 F HN -0.212 nan 8.300 nan 0.000 0.479 477 T N -1.404 113.216 114.554 0.110 0.000 2.900 477 T HA 0.183 4.545 4.350 0.021 0.000 0.307 477 T C -2.058 172.676 174.700 0.058 0.000 1.065 477 T CA -1.238 60.890 62.100 0.046 0.000 1.105 477 T CB 1.042 69.922 68.868 0.020 0.000 0.979 477 T HN 0.313 nan 8.240 nan 0.000 0.544 478 P HA -0.048 nan 4.420 nan 0.000 0.219 478 P C 1.172 178.512 177.300 0.067 0.000 1.146 478 P CA 0.927 64.067 63.100 0.068 0.000 0.808 478 P CB 0.090 31.810 31.700 0.033 0.000 0.779 479 E N -0.858 119.353 120.200 0.018 0.000 2.046 479 E HA -0.095 4.267 4.350 0.021 0.000 0.190 479 E C 2.047 178.609 176.600 -0.063 0.000 0.982 479 E CA 0.826 57.219 56.400 -0.013 0.000 0.800 479 E CB -1.219 28.471 29.700 -0.016 0.000 0.756 479 E HN -0.015 nan 8.360 nan 0.000 0.449 480 V N 0.443 120.285 119.914 -0.120 0.000 2.295 480 V HA -0.277 3.855 4.120 0.021 0.000 0.246 480 V C 1.997 177.901 176.094 -0.317 0.000 1.049 480 V CA 1.942 64.043 62.300 -0.331 0.000 1.024 480 V CB -0.587 30.892 31.823 -0.574 0.000 0.648 480 V HN 0.308 nan 8.190 nan 0.000 0.447 481 Y N 1.332 121.482 120.300 -0.250 0.000 2.081 481 Y HA -0.347 4.215 4.550 0.021 0.000 0.280 481 Y C 2.873 178.702 175.900 -0.117 0.000 1.163 481 Y CA 2.541 60.545 58.100 -0.159 0.000 1.135 481 Y CB -0.599 37.848 38.460 -0.022 0.000 0.970 481 Y HN 0.203 nan 8.280 nan 0.000 0.498 482 Q N -0.580 119.183 119.800 -0.061 0.000 2.124 482 Q HA -0.128 4.225 4.340 0.021 0.000 0.202 482 Q C 2.593 178.510 176.000 -0.139 0.000 0.977 482 Q CA 1.057 56.797 55.803 -0.106 0.000 0.850 482 Q CB -1.522 27.206 28.738 -0.017 0.000 0.901 482 Q HN 0.800 nan 8.270 nan 0.000 0.429 483 G N 0.685 109.406 108.800 -0.133 0.000 2.440 483 G HA2 -0.234 3.739 3.960 0.021 0.000 0.218 483 G HA3 -0.234 3.739 3.960 0.021 0.000 0.218 483 G C 1.394 176.222 174.900 -0.120 0.000 1.154 483 G CA 1.043 46.078 45.100 -0.108 0.000 0.767 483 G HN 0.474 nan 8.290 nan 0.000 0.552 484 L N -0.079 121.012 121.223 -0.219 0.000 2.083 484 L HA -0.075 4.277 4.340 0.021 0.000 0.209 484 L C 3.100 179.885 176.870 -0.141 0.000 1.083 484 L CA 0.677 55.405 54.840 -0.185 0.000 0.752 484 L CB -0.356 41.508 42.059 -0.324 0.000 0.899 484 L HN 0.159 nan 8.230 nan 0.000 0.433 485 M N -0.648 118.793 119.600 -0.265 0.000 2.099 485 M HA -0.189 4.304 4.480 0.021 0.000 0.262 485 M C 2.707 178.988 176.300 -0.032 0.000 1.067 485 M CA 2.491 57.678 55.300 -0.188 0.000 1.124 485 M CB -1.720 30.718 32.600 -0.270 0.000 1.353 485 M HN 0.526 nan 8.290 nan 0.000 0.410 486 H N -0.997 118.047 119.070 -0.043 0.000 2.462 486 H HA 0.243 4.812 4.556 0.021 0.000 0.292 486 H C 2.303 177.635 175.328 0.008 0.000 1.049 486 H CA 1.538 57.580 56.048 -0.011 0.000 1.334 486 H CB -1.135 28.612 29.762 -0.025 0.000 1.404 486 H HN 0.516 nan 8.280 nan 0.000 0.544 487 G N -1.120 107.690 108.800 0.016 0.000 2.432 487 G HA2 -0.217 3.755 3.960 0.021 0.000 0.219 487 G HA3 -0.217 3.755 3.960 0.021 0.000 0.219 487 G C 1.736 176.653 174.900 0.028 0.000 1.135 487 G CA 1.122 46.236 45.100 0.023 0.000 0.767 487 G HN 0.764 nan 8.290 nan 0.000 0.550 488 Y N 1.819 122.132 120.300 0.022 0.000 2.145 488 Y HA -0.122 4.441 4.550 0.021 0.000 0.286 488 Y C 2.382 178.335 175.900 0.087 0.000 1.145 488 Y CA 2.070 60.252 58.100 0.137 0.000 1.148 488 Y CB -0.047 38.472 38.460 0.098 0.000 0.981 488 Y HN 0.192 nan 8.280 nan 0.000 0.507 489 D N -0.018 120.431 120.400 0.082 0.000 2.117 489 D HA -0.143 4.510 4.640 0.021 0.000 0.198 489 D C 2.014 178.235 176.300 -0.131 0.000 0.982 489 D CA 1.458 55.450 54.000 -0.013 0.000 0.828 489 D CB -0.217 40.598 40.800 0.024 0.000 0.967 489 D HN 0.372 nan 8.370 nan 0.000 0.464 490 K N -0.173 120.148 120.400 -0.131 0.000 2.057 490 K HA -0.120 4.213 4.320 0.021 0.000 0.207 490 K C 1.851 178.279 176.600 -0.286 0.000 1.049 490 K CA 0.540 56.729 56.287 -0.164 0.000 0.931 490 K CB -0.049 32.382 32.500 -0.115 0.000 0.714 490 K HN 0.052 nan 8.250 nan 0.000 0.440 491 L N -0.209 120.745 121.223 -0.448 0.000 2.071 491 L HA 0.014 4.367 4.340 0.021 0.000 0.201 491 L C 1.749 178.114 176.870 -0.841 0.000 1.076 491 L CA 1.700 56.064 54.840 -0.793 0.000 0.755 491 L CB -0.490 40.801 42.059 -1.281 0.000 0.915 491 L HN 0.009 nan 8.230 nan 0.000 0.445 492 F N -0.424 119.244 119.950 -0.471 0.000 2.473 492 F HA 0.141 4.680 4.527 0.020 0.000 0.294 492 F C 2.296 178.015 175.800 -0.135 0.000 1.103 492 F CA 0.557 58.350 58.000 -0.345 0.000 1.442 492 F CB -0.377 38.283 39.000 -0.567 0.000 1.097 492 F HN -0.012 nan 8.300 nan 0.000 0.547 493 R N -0.310 120.144 120.500 -0.077 0.000 2.312 493 R HA 0.132 4.484 4.340 0.021 0.000 0.205 493 R C 0.934 177.170 176.300 -0.106 0.000 0.904 493 R CA 0.431 56.507 56.100 -0.041 0.000 1.052 493 R CB 0.203 30.470 30.300 -0.055 0.000 1.014 493 R HN 0.346 nan 8.270 nan 0.000 0.503 494 E N -0.304 119.788 120.200 -0.179 0.000 3.249 494 E HA 0.015 4.378 4.350 0.021 0.000 0.184 494 E C 1.221 177.670 176.600 -0.250 0.000 1.163 494 E CA -0.237 56.050 56.400 -0.187 0.000 1.353 494 E CB -0.106 29.502 29.700 -0.155 0.000 1.466 494 E HN -0.073 nan 8.360 nan 0.000 0.502 495 L N 2.074 123.124 121.223 -0.288 0.000 1.955 495 L HA -0.163 4.190 4.340 0.021 0.000 0.213 495 L C 2.098 178.721 176.870 -0.411 0.000 1.072 495 L CA 1.781 56.429 54.840 -0.319 0.000 0.755 495 L CB -0.606 41.252 42.059 -0.335 0.000 0.888 495 L HN 0.175 nan 8.230 nan 0.000 0.432 496 L N 0.013 120.918 121.223 -0.530 0.000 1.990 496 L HA -0.170 4.182 4.340 0.021 0.000 0.213 496 L C -0.116 176.249 176.870 -0.842 0.000 1.072 496 L CA 1.878 56.284 54.840 -0.723 0.000 0.755 496 L CB -2.328 39.316 42.059 -0.691 0.000 0.889 496 L HN 0.310 nan 8.230 nan 0.000 0.432 497 P HA -0.139 nan 4.420 nan 0.000 0.218 497 P C 1.698 178.717 177.300 -0.470 0.000 1.149 497 P CA 1.918 64.489 63.100 -0.882 0.000 0.817 497 P CB -0.066 31.289 31.700 -0.575 0.000 0.785 498 S N -0.921 114.567 115.700 -0.352 0.000 2.383 498 S HA -0.103 4.380 4.470 0.021 0.000 0.227 498 S C 1.961 176.426 174.600 -0.226 0.000 1.026 498 S CA 1.748 59.800 58.200 -0.246 0.000 0.981 498 S CB -1.964 61.118 63.200 -0.197 0.000 0.818 498 S HN 0.125 nan 8.310 nan 0.000 0.472 499 T N 2.534 116.938 114.554 -0.250 0.000 2.777 499 T HA -0.002 4.361 4.350 0.021 0.000 0.266 499 T C 1.942 176.564 174.700 -0.130 0.000 1.040 499 T CA 1.319 63.343 62.100 -0.126 0.000 1.141 499 T CB -0.683 68.067 68.868 -0.197 0.000 0.868 499 T HN 0.275 nan 8.240 nan 0.000 0.444 500 V N 1.603 121.340 119.914 -0.294 0.000 2.332 500 V HA -0.213 3.920 4.120 0.021 0.000 0.248 500 V C 2.571 178.566 176.094 -0.165 0.000 1.055 500 V CA 1.633 63.770 62.300 -0.270 0.000 1.038 500 V CB -0.545 31.105 31.823 -0.289 0.000 0.651 500 V HN 0.430 nan 8.190 nan 0.000 0.450 501 K N -0.413 119.875 120.400 -0.186 0.000 2.057 501 K HA -0.243 4.090 4.320 0.021 0.000 0.207 501 K C 2.280 178.770 176.600 -0.185 0.000 1.049 501 K CA 1.924 58.120 56.287 -0.152 0.000 0.931 501 K CB -0.075 32.331 32.500 -0.157 0.000 0.714 501 K HN 0.568 nan 8.250 nan 0.000 0.440 502 E N -1.067 118.976 120.200 -0.262 0.000 2.112 502 E HA -0.110 4.252 4.350 0.021 0.000 0.190 502 E C 1.123 177.358 176.600 -0.608 0.000 0.979 502 E CA 0.927 57.037 56.400 -0.483 0.000 0.814 502 E CB 0.177 29.459 29.700 -0.696 0.000 0.762 502 E HN 0.221 nan 8.360 nan 0.000 0.460 503 F N -0.653 119.193 119.950 -0.173 0.000 2.720 503 F HA 0.219 4.759 4.527 0.021 0.000 0.301 503 F C 0.569 176.231 175.800 -0.230 0.000 1.103 503 F CA -0.076 57.796 58.000 -0.213 0.000 1.291 503 F CB 1.046 39.889 39.000 -0.262 0.000 1.086 503 F HN -0.148 nan 8.300 nan 0.000 0.592 504 D N -0.774 119.617 120.400 -0.015 0.000 3.100 504 D HA 0.069 4.721 4.640 0.021 0.000 0.350 504 D C 1.186 177.524 176.300 0.064 0.000 1.310 504 D CA 0.328 54.352 54.000 0.041 0.000 0.741 504 D CB 0.150 41.004 40.800 0.089 0.000 1.248 504 D HN 0.023 nan 8.370 nan 0.000 0.527 505 S N -0.772 114.951 115.700 0.039 0.000 2.469 505 S HA -0.117 4.366 4.470 0.021 0.000 0.238 505 S C 0.968 175.591 174.600 0.038 0.000 0.998 505 S CA 0.800 59.007 58.200 0.011 0.000 0.957 505 S CB 0.161 63.350 63.200 -0.019 0.000 0.764 505 S HN 0.177 nan 8.310 nan 0.000 0.514 506 D N 0.735 121.176 120.400 0.068 0.000 2.363 506 D HA 0.216 4.869 4.640 0.021 0.000 0.214 506 D C 0.230 176.581 176.300 0.086 0.000 1.093 506 D CA 0.020 54.055 54.000 0.059 0.000 0.837 506 D CB 0.354 41.178 40.800 0.039 0.000 0.948 506 D HN 0.430 nan 8.370 nan 0.000 0.507 507 R N 0.455 121.036 120.500 0.135 0.000 2.532 507 R HA 0.277 4.629 4.340 0.021 0.000 0.295 507 R C -0.298 176.143 176.300 0.234 0.000 0.968 507 R CA -0.830 55.384 56.100 0.191 0.000 0.916 507 R CB 1.605 32.070 30.300 0.275 0.000 1.124 507 R HN -0.116 nan 8.270 nan 0.000 0.463 508 F N 2.945 122.908 119.950 0.022 0.000 2.553 508 F HA 0.057 4.597 4.527 0.021 0.000 0.356 508 F C -0.647 175.228 175.800 0.124 0.000 1.142 508 F CA 0.166 58.149 58.000 -0.029 0.000 1.322 508 F CB 0.287 39.144 39.000 -0.238 0.000 1.126 508 F HN 0.397 nan 8.300 nan 0.000 0.599 509 Y N 5.653 125.469 120.300 -0.808 0.000 2.442 509 Y HA 0.614 5.176 4.550 0.021 0.000 0.344 509 Y C -1.880 173.340 175.900 -1.134 0.000 0.976 509 Y CA -1.048 56.655 58.100 -0.661 0.000 1.040 509 Y CB 1.584 39.913 38.460 -0.218 0.000 1.228 509 Y HN 0.569 nan 8.280 nan 0.000 0.451 510 V N 6.363 125.390 119.914 -1.479 0.000 2.789 510 V HA 0.263 4.395 4.120 0.021 0.000 0.311 510 V C 0.022 175.467 176.094 -1.081 0.000 1.073 510 V CA -0.416 61.263 62.300 -1.035 0.000 0.921 510 V CB 1.587 33.092 31.823 -0.531 0.000 1.009 510 V HN 1.048 nan 8.190 nan 0.000 0.426 511 H N 3.202 121.995 119.070 -0.462 0.000 2.495 511 H HA 0.383 4.951 4.556 0.021 0.000 0.287 511 H C 0.706 176.016 175.328 -0.031 0.000 1.033 511 H CA 1.028 57.004 56.048 -0.119 0.000 1.307 511 H CB 0.197 30.067 29.762 0.179 0.000 1.401 511 H HN 0.530 nan 8.280 nan 0.000 0.555 512 S N -1.026 114.435 115.700 -0.400 0.000 2.567 512 S HA 0.486 4.968 4.470 0.021 0.000 0.270 512 S C -1.593 172.996 174.600 -0.018 0.000 1.152 512 S CA -0.468 57.649 58.200 -0.137 0.000 0.835 512 S CB 1.587 64.768 63.200 -0.033 0.000 1.115 512 S HN 0.416 nan 8.310 nan 0.000 0.459 513 S N 3.145 118.914 115.700 0.114 0.000 2.561 513 S HA 0.759 5.242 4.470 0.021 0.000 0.303 513 S C -2.968 171.514 174.600 -0.196 0.000 1.110 513 S CA -1.551 56.737 58.200 0.146 0.000 1.034 513 S CB 1.594 65.123 63.200 0.549 0.000 1.010 513 S HN 0.528 nan 8.310 nan 0.000 0.482 514 P HA 0.202 nan 4.420 nan 0.000 0.278 514 P C -0.030 177.212 177.300 -0.098 0.000 1.238 514 P CA -0.438 62.525 63.100 -0.228 0.000 0.794 514 P CB 0.415 31.968 31.700 -0.245 0.000 0.955 515 Y N 1.952 122.190 120.300 -0.104 0.000 2.420 515 Y HA 0.197 4.759 4.550 0.021 0.000 0.292 515 Y C 1.298 177.213 175.900 0.024 0.000 1.119 515 Y CA 0.744 58.771 58.100 -0.121 0.000 1.229 515 Y CB -0.413 37.936 38.460 -0.185 0.000 1.026 515 Y HN 0.209 nan 8.280 nan 0.000 0.554 516 L N -0.108 120.971 121.223 -0.239 0.000 2.406 516 L HA 0.607 4.959 4.340 0.021 0.000 0.228 516 L C 0.935 177.788 176.870 -0.029 0.000 1.081 516 L CA 0.519 55.323 54.840 -0.060 0.000 1.089 516 L CB -0.544 41.495 42.059 -0.034 0.000 2.191 516 L HN 0.062 nan 8.230 nan 0.000 0.520 517 A N 1.685 124.439 122.820 -0.110 0.000 2.565 517 A HA 0.245 4.578 4.320 0.021 0.000 0.237 517 A C -0.037 177.606 177.584 0.099 0.000 1.053 517 A CA 0.541 52.605 52.037 0.045 0.000 0.755 517 A CB -0.441 18.600 19.000 0.069 0.000 0.980 517 A HN 0.506 nan 8.150 nan 0.000 0.506 518 N N 2.491 121.270 118.700 0.131 0.000 2.225 518 N HA 0.177 4.929 4.740 0.021 0.000 0.298 518 N C 0.796 176.446 175.510 0.233 0.000 1.076 518 N CA -0.638 52.437 53.050 0.043 0.000 0.792 518 N CB 1.023 39.266 38.487 -0.408 0.000 1.498 518 N HN 0.870 nan 8.380 nan 0.000 0.474 519 W N 2.976 124.418 121.300 0.237 0.000 2.465 519 W HA 0.159 4.831 4.660 0.021 0.000 0.268 519 W C 0.457 177.236 176.519 0.434 0.000 1.242 519 W CA 0.723 58.255 57.345 0.311 0.000 1.248 519 W CB -0.287 29.310 29.460 0.228 0.000 1.118 519 W HN 0.557 nan 8.180 nan 0.000 0.587 520 G N 1.273 109.940 108.800 -0.221 0.000 3.189 520 G HA2 0.130 4.103 3.960 0.021 0.000 0.225 520 G HA3 0.130 4.103 3.960 0.021 0.000 0.225 520 G C 0.496 175.338 174.900 -0.096 0.000 1.159 520 G CA -0.642 44.319 45.100 -0.231 0.000 0.763 520 G HN 0.094 nan 8.290 nan 0.000 0.549 521 R N 0.489 120.963 120.500 -0.042 0.000 2.402 521 R HA 0.246 4.599 4.340 0.021 0.000 0.290 521 R C -1.987 173.972 176.300 -0.570 0.000 1.321 521 R CA -1.629 54.335 56.100 -0.228 0.000 1.283 521 R CB 1.814 31.981 30.300 -0.222 0.000 1.111 521 R HN -0.040 nan 8.270 nan 0.000 0.578 522 P HA -0.280 nan 4.420 nan 0.000 0.217 522 P C 1.112 177.803 177.300 -1.016 0.000 1.151 522 P CA 1.268 63.316 63.100 -1.753 0.000 0.849 522 P CB 0.279 31.371 31.700 -1.014 0.000 0.787 523 E N 0.013 119.908 120.200 -0.508 0.000 2.401 523 E HA -0.128 4.234 4.350 0.021 0.000 0.199 523 E C 1.331 177.837 176.600 -0.157 0.000 1.023 523 E CA 1.645 57.895 56.400 -0.250 0.000 0.859 523 E CB -0.829 28.777 29.700 -0.155 0.000 0.780 523 E HN 0.362 nan 8.360 nan 0.000 0.523 524 S N -1.213 114.368 115.700 -0.198 0.000 2.523 524 S HA 0.061 4.544 4.470 0.021 0.000 0.217 524 S C 1.195 175.887 174.600 0.153 0.000 0.996 524 S CA -0.601 57.590 58.200 -0.014 0.000 0.921 524 S CB -0.514 62.693 63.200 0.012 0.000 0.829 524 S HN 0.224 nan 8.310 nan 0.000 0.495 525 W N 2.511 123.847 121.300 0.060 0.000 2.392 525 W HA 0.299 4.972 4.660 0.021 0.000 0.279 525 W C 2.187 178.765 176.519 0.099 0.000 1.225 525 W CA 0.387 57.786 57.345 0.090 0.000 1.233 525 W CB -1.374 28.167 29.460 0.135 0.000 1.122 525 W HN 0.525 nan 8.180 nan 0.000 0.561 526 G N -0.549 108.429 108.800 0.297 0.000 2.848 526 G HA2 0.009 3.982 3.960 0.021 0.000 0.208 526 G HA3 0.009 3.982 3.960 0.021 0.000 0.208 526 G C 0.005 174.955 174.900 0.083 0.000 1.152 526 G CA 0.312 45.524 45.100 0.188 0.000 0.789 526 G HN 0.045 nan 8.290 nan 0.000 0.531 527 T N 0.802 115.398 114.554 0.070 0.000 2.893 527 T HA 0.566 4.928 4.350 0.021 0.000 0.324 527 T C 0.945 175.560 174.700 -0.142 0.000 1.082 527 T CA 0.123 62.234 62.100 0.020 0.000 0.983 527 T CB 1.294 70.175 68.868 0.022 0.000 1.005 527 T HN 0.710 nan 8.240 nan 0.000 0.475 528 G N 4.336 113.137 108.800 0.002 0.000 2.582 528 G HA2 -0.240 3.732 3.960 0.021 0.000 0.288 528 G HA3 -0.240 3.732 3.960 0.021 0.000 0.288 528 G C -0.309 174.489 174.900 -0.171 0.000 1.247 528 G CA 0.219 45.325 45.100 0.010 0.000 0.972 528 G HN 0.897 nan 8.290 nan 0.000 0.557 529 D N 0.179 120.296 120.400 -0.472 0.000 2.283 529 D HA 0.579 5.231 4.640 0.021 0.000 0.248 529 D C -0.136 176.100 176.300 -0.108 0.000 1.072 529 D CA 0.224 54.027 54.000 -0.328 0.000 0.929 529 D CB 1.499 41.923 40.800 -0.627 0.000 1.182 529 D HN 0.436 nan 8.370 nan 0.000 0.433 530 S N -0.431 115.297 115.700 0.048 0.000 2.566 530 S HA 0.294 4.777 4.470 0.021 0.000 0.298 530 S C -0.718 174.040 174.600 0.264 0.000 1.083 530 S CA -0.715 57.545 58.200 0.099 0.000 0.978 530 S CB 1.243 64.454 63.200 0.017 0.000 1.073 530 S HN 0.418 nan 8.310 nan 0.000 0.491 531 H N 2.361 121.487 119.070 0.092 0.000 2.683 531 H HA 0.231 4.800 4.556 0.021 0.000 0.270 531 H C -0.371 174.980 175.328 0.038 0.000 1.201 531 H CA -0.576 55.514 56.048 0.071 0.000 1.277 531 H CB 0.494 30.433 29.762 0.295 0.000 1.400 531 H HN 0.329 nan 8.280 nan 0.000 0.504 532 N N 3.317 121.982 118.700 -0.058 0.000 2.819 532 N HA -0.056 4.697 4.740 0.021 0.000 0.284 532 N C -0.072 175.286 175.510 -0.253 0.000 1.196 532 N CA -0.131 52.859 53.050 -0.099 0.000 1.114 532 N CB -0.166 38.207 38.487 -0.189 0.000 1.437 532 N HN 0.625 nan 8.380 nan 0.000 0.518 533 W N 1.159 122.403 121.300 -0.094 0.000 3.405 533 W HA 0.256 4.929 4.660 0.020 0.000 0.300 533 W C 1.965 177.825 176.519 -1.098 0.000 1.286 533 W CA -0.483 56.675 57.345 -0.311 0.000 1.762 533 W CB 0.262 29.767 29.460 0.075 0.000 1.087 533 W HN 0.475 nan 8.180 nan 0.000 0.703 534 G N 0.629 108.852 108.800 -0.963 0.000 2.491 534 G HA2 -0.250 3.722 3.960 0.021 0.000 0.218 534 G HA3 -0.250 3.722 3.960 0.021 0.000 0.218 534 G C 0.674 175.378 174.900 -0.326 0.000 1.180 534 G CA 0.581 45.186 45.100 -0.825 0.000 0.774 534 G HN -0.027 nan 8.290 nan 0.000 0.562 535 V N 0.887 120.752 119.914 -0.081 0.000 2.637 535 V HA 0.246 4.379 4.120 0.021 0.000 0.296 535 V C 0.836 177.121 176.094 0.319 0.000 1.046 535 V CA 0.239 62.612 62.300 0.123 0.000 1.066 535 V CB 0.565 32.482 31.823 0.156 0.000 0.968 535 V HN 0.647 nan 8.190 nan 0.000 0.483 536 W N 3.717 125.072 121.300 0.092 0.000 0.912 536 W HA -0.396 4.277 4.660 0.021 0.000 0.229 536 W C 1.254 177.748 176.519 -0.041 0.000 1.164 536 W CA 1.777 59.110 57.345 -0.020 0.000 1.347 536 W CB -1.382 28.134 29.460 0.094 0.000 1.635 536 W HN 0.571 nan 8.180 nan 0.000 0.444 537 Y N 1.089 121.452 120.300 0.106 0.000 2.163 537 Y HA 0.124 4.686 4.550 0.021 0.000 0.288 537 Y C 2.658 178.484 175.900 -0.123 0.000 1.136 537 Y CA 2.612 60.648 58.100 -0.107 0.000 1.147 537 Y CB -1.302 37.171 38.460 0.022 0.000 0.987 537 Y HN 0.237 nan 8.280 nan 0.000 0.509 538 G N -0.718 107.961 108.800 -0.203 0.000 3.279 538 G HA2 0.007 3.979 3.960 0.021 0.000 0.230 538 G HA3 0.007 3.979 3.960 0.021 0.000 0.230 538 G C 0.931 175.843 174.900 0.020 0.000 1.230 538 G CA 0.235 45.288 45.100 -0.078 0.000 0.891 538 G HN 0.098 nan 8.290 nan 0.000 0.518 539 K N -0.950 119.461 120.400 0.018 0.000 2.985 539 K HA -0.230 4.102 4.320 0.021 0.000 0.277 539 K C 1.026 177.582 176.600 -0.074 0.000 1.075 539 K CA 1.688 57.974 56.287 -0.002 0.000 0.822 539 K CB -1.791 30.662 32.500 -0.080 0.000 1.211 539 K HN 0.795 nan 8.250 nan 0.000 0.458 540 K N 0.931 121.336 120.400 0.008 0.000 2.414 540 K HA 0.079 4.412 4.320 0.021 0.000 0.272 540 K C -1.928 174.627 176.600 -0.075 0.000 0.993 540 K CA -1.111 55.167 56.287 -0.015 0.000 0.964 540 K CB 0.189 32.708 32.500 0.031 0.000 0.925 540 K HN 0.146 nan 8.250 nan 0.000 0.487 541 P HA -0.021 nan 4.420 nan 0.000 0.274 541 P C 0.159 177.442 177.300 -0.028 0.000 1.231 541 P CA -0.077 62.943 63.100 -0.133 0.000 0.790 541 P CB 0.360 32.019 31.700 -0.069 0.000 0.951 542 F N 0.515 120.550 119.950 0.141 0.000 2.202 542 F HA -0.176 4.364 4.527 0.021 0.000 0.301 542 F C 2.147 178.019 175.800 0.120 0.000 1.082 542 F CA 1.692 59.758 58.000 0.110 0.000 1.313 542 F CB -1.190 37.823 39.000 0.022 0.000 1.024 542 F HN 0.326 nan 8.300 nan 0.000 0.495 543 E N -0.092 120.235 120.200 0.212 0.000 2.265 543 E HA -0.165 4.198 4.350 0.021 0.000 0.196 543 E C 2.289 178.979 176.600 0.149 0.000 0.996 543 E CA 1.177 57.686 56.400 0.181 0.000 0.832 543 E CB -0.528 29.224 29.700 0.086 0.000 0.756 543 E HN 0.407 nan 8.360 nan 0.000 0.491 544 S N 0.311 116.076 115.700 0.109 0.000 2.419 544 S HA -0.154 4.328 4.470 0.021 0.000 0.233 544 S C 1.879 176.499 174.600 0.033 0.000 1.016 544 S CA 0.766 59.008 58.200 0.071 0.000 0.974 544 S CB -0.455 62.780 63.200 0.058 0.000 0.786 544 S HN 0.246 nan 8.310 nan 0.000 0.492 545 L N 1.461 122.710 121.223 0.043 0.000 2.265 545 L HA -0.069 4.284 4.340 0.021 0.000 0.215 545 L C 2.065 178.881 176.870 -0.089 0.000 1.117 545 L CA 1.121 55.934 54.840 -0.046 0.000 0.782 545 L CB -0.590 41.422 42.059 -0.078 0.000 0.914 545 L HN 0.267 nan 8.230 nan 0.000 0.441 546 D N -0.703 119.676 120.400 -0.035 0.000 2.194 546 D HA -0.100 4.552 4.640 0.021 0.000 0.204 546 D C 2.167 178.452 176.300 -0.026 0.000 0.964 546 D CA 1.905 55.870 54.000 -0.058 0.000 0.846 546 D CB 0.121 40.928 40.800 0.011 0.000 0.962 546 D HN 0.441 nan 8.370 nan 0.000 0.490 547 T N -1.734 112.828 114.554 0.013 0.000 3.039 547 T HA 0.007 4.369 4.350 0.021 0.000 0.250 547 T C 0.498 175.237 174.700 0.064 0.000 1.052 547 T CA -0.054 62.073 62.100 0.045 0.000 1.125 547 T CB 0.177 69.096 68.868 0.086 0.000 0.908 547 T HN -0.207 nan 8.240 nan 0.000 0.473 548 D N 2.504 122.895 120.400 -0.015 0.000 2.500 548 D HA 0.384 5.036 4.640 0.021 0.000 0.219 548 D C -0.711 175.431 176.300 -0.262 0.000 1.137 548 D CA -0.298 53.570 54.000 -0.220 0.000 0.946 548 D CB 0.602 41.084 40.800 -0.531 0.000 1.022 548 D HN 0.208 nan 8.370 nan 0.000 0.518 549 L N 3.384 124.581 121.223 -0.043 0.000 2.322 549 L HA 0.512 4.864 4.340 0.021 0.000 0.279 549 L C -2.136 174.852 176.870 0.197 0.000 1.036 549 L CA -1.657 53.213 54.840 0.051 0.000 0.807 549 L CB 1.533 43.615 42.059 0.039 0.000 1.226 549 L HN 0.070 nan 8.230 nan 0.000 0.433 550 P HA 0.435 nan 4.420 nan 0.000 0.287 550 P C 0.039 177.452 177.300 0.188 0.000 1.292 550 P CA -0.691 62.490 63.100 0.135 0.000 0.879 550 P CB 1.458 33.123 31.700 -0.058 0.000 1.214 551 R N -0.012 120.535 120.500 0.077 0.000 2.189 551 R HA 0.166 4.518 4.340 0.021 0.000 0.218 551 R C 0.242 176.674 176.300 0.221 0.000 1.074 551 R CA 0.837 56.948 56.100 0.017 0.000 0.991 551 R CB -0.844 29.464 30.300 0.015 0.000 0.883 551 R HN 0.584 nan 8.270 nan 0.000 0.457 552 F N -0.492 119.465 119.950 0.012 0.000 2.651 552 F HA 0.264 4.803 4.527 0.020 0.000 0.327 552 F C -1.298 174.458 175.800 -0.073 0.000 1.133 552 F CA -1.161 56.855 58.000 0.027 0.000 1.076 552 F CB 1.292 40.438 39.000 0.243 0.000 1.315 552 F HN -0.243 nan 8.300 nan 0.000 0.499 553 M N 5.237 124.669 119.600 -0.281 0.000 2.111 553 M HA 0.260 4.752 4.480 0.021 0.000 0.351 553 M C 0.325 176.653 176.300 0.047 0.000 1.214 553 M CA 0.205 55.388 55.300 -0.194 0.000 1.120 553 M CB 0.778 33.021 32.600 -0.596 0.000 1.443 553 M HN 0.531 nan 8.290 nan 0.000 0.429 554 S N 2.853 118.718 115.700 0.274 0.000 2.501 554 S HA 0.220 4.703 4.470 0.021 0.000 0.220 554 S C 0.391 174.948 174.600 -0.072 0.000 0.997 554 S CA 0.028 58.355 58.200 0.211 0.000 0.919 554 S CB -0.005 63.355 63.200 0.267 0.000 0.778 554 S HN 0.774 nan 8.310 nan 0.000 0.523 555 Q N -0.337 119.386 119.800 -0.128 0.000 2.386 555 Q HA 0.623 4.975 4.340 0.021 0.000 0.274 555 Q C -1.823 174.044 176.000 -0.223 0.000 1.011 555 Q CA -0.781 54.855 55.803 -0.279 0.000 0.867 555 Q CB 2.693 30.991 28.738 -0.734 0.000 1.409 555 Q HN 0.515 nan 8.270 nan 0.000 0.395 556 F N -1.242 118.413 119.950 -0.492 0.000 2.744 556 F HA 0.874 5.414 4.527 0.021 0.000 0.311 556 F C -0.857 174.682 175.800 -0.435 0.000 1.144 556 F CA -0.455 57.121 58.000 -0.706 0.000 0.938 556 F CB 1.110 39.906 39.000 -0.340 0.000 1.292 556 F HN 0.647 nan 8.300 nan 0.000 0.444 557 G N 0.800 109.218 108.800 -0.637 0.000 2.430 557 G HA2 0.567 4.539 3.960 0.021 0.000 0.300 557 G HA3 0.567 4.539 3.960 0.021 0.000 0.300 557 G C -2.748 172.302 174.900 0.250 0.000 1.330 557 G CA -0.785 44.196 45.100 -0.199 0.000 0.813 557 G HN 1.181 nan 8.290 nan 0.000 0.487 558 F N -0.061 119.924 119.950 0.058 0.000 2.672 558 F HA 0.528 5.067 4.527 0.021 0.000 0.311 558 F C -0.316 175.147 175.800 -0.562 0.000 1.113 558 F CA -0.653 57.221 58.000 -0.210 0.000 0.996 558 F CB 2.051 41.029 39.000 -0.037 0.000 1.286 558 F HN 0.541 nan 8.300 nan 0.000 0.441 559 Q N 2.304 121.137 119.800 -1.612 0.000 2.312 559 Q HA 0.640 4.992 4.340 0.021 0.000 0.236 559 Q C -0.965 174.703 176.000 -0.554 0.000 0.965 559 Q CA -0.364 54.631 55.803 -1.347 0.000 0.894 559 Q CB 1.794 29.539 28.738 -1.655 0.000 1.225 559 Q HN 0.690 nan 8.270 nan 0.000 0.478 560 S N 0.565 116.010 115.700 -0.425 0.000 2.533 560 S HA 0.469 4.951 4.470 0.021 0.000 0.271 560 S C -0.838 173.678 174.600 -0.139 0.000 1.143 560 S CA -0.856 57.227 58.200 -0.195 0.000 0.891 560 S CB 0.492 63.566 63.200 -0.210 0.000 1.105 560 S HN 0.435 nan 8.310 nan 0.000 0.468 561 F N 3.343 123.174 119.950 -0.198 0.000 2.572 561 F HA 0.313 4.853 4.527 0.021 0.000 0.370 561 F C -1.422 174.290 175.800 -0.146 0.000 1.103 561 F CA -0.946 56.981 58.000 -0.121 0.000 1.286 561 F CB 0.735 39.688 39.000 -0.078 0.000 1.105 561 F HN 0.430 nan 8.300 nan 0.000 0.583 562 P HA 0.047 nan 4.420 nan 0.000 0.274 562 P C -0.921 176.414 177.300 0.058 0.000 1.246 562 P CA -0.556 62.554 63.100 0.017 0.000 0.795 562 P CB 0.541 32.266 31.700 0.042 0.000 1.006 563 E N 0.975 121.212 120.200 0.060 0.000 2.447 563 E HA -0.022 4.341 4.350 0.021 0.000 0.259 563 E C 0.972 177.636 176.600 0.107 0.000 1.196 563 E CA -0.472 55.998 56.400 0.117 0.000 0.995 563 E CB 0.063 29.920 29.700 0.261 0.000 0.974 563 E HN 0.180 nan 8.360 nan 0.000 0.465 564 M N 1.240 120.900 119.600 0.100 0.000 2.213 564 M HA -0.152 4.340 4.480 0.021 0.000 0.263 564 M C 2.037 178.330 176.300 -0.012 0.000 1.062 564 M CA 2.018 57.316 55.300 -0.003 0.000 1.105 564 M CB -1.247 31.344 32.600 -0.015 0.000 1.385 564 M HN 0.687 nan 8.290 nan 0.000 0.417 565 K N -0.915 119.513 120.400 0.046 0.000 2.147 565 K HA -0.093 4.239 4.320 0.021 0.000 0.205 565 K C 1.661 178.259 176.600 -0.003 0.000 1.049 565 K CA 1.792 58.089 56.287 0.017 0.000 0.936 565 K CB -0.834 31.679 32.500 0.020 0.000 0.722 565 K HN 0.165 nan 8.250 nan 0.000 0.446 566 T N 1.832 116.425 114.554 0.065 0.000 2.821 566 T HA 0.016 4.379 4.350 0.021 0.000 0.267 566 T C 1.921 176.641 174.700 0.033 0.000 1.046 566 T CA 1.138 63.336 62.100 0.163 0.000 1.139 566 T CB -0.165 68.873 68.868 0.282 0.000 0.871 566 T HN 0.180 nan 8.240 nan 0.000 0.454 567 I N 1.389 121.874 120.570 -0.141 0.000 2.315 567 I HA -0.109 4.074 4.170 0.021 0.000 0.248 567 I C 2.775 178.502 176.117 -0.650 0.000 1.117 567 I CA 0.865 61.807 61.300 -0.596 0.000 1.404 567 I CB -0.353 37.433 38.000 -0.356 0.000 1.071 567 I HN 0.169 nan 8.210 nan 0.000 0.419 568 A N 0.560 123.238 122.820 -0.237 0.000 2.172 568 A HA 0.004 4.337 4.320 0.021 0.000 0.216 568 A C 2.403 180.007 177.584 0.033 0.000 1.154 568 A CA 1.416 53.442 52.037 -0.018 0.000 0.701 568 A CB -0.530 18.523 19.000 0.088 0.000 0.789 568 A HN 0.426 nan 8.150 nan 0.000 0.465 569 A N -0.747 122.086 122.820 0.023 0.000 2.067 569 A HA 0.233 4.566 4.320 0.021 0.000 0.217 569 A C 1.585 179.411 177.584 0.402 0.000 1.156 569 A CA 1.280 53.451 52.037 0.223 0.000 0.683 569 A CB -0.464 18.711 19.000 0.293 0.000 0.808 569 A HN 1.060 nan 8.150 nan 0.000 0.455 570 F N -2.861 117.156 119.950 0.112 0.000 2.746 570 F HA 0.736 5.275 4.527 0.020 0.000 0.313 570 F C 0.327 175.818 175.800 -0.514 0.000 1.095 570 F CA -0.618 57.287 58.000 -0.159 0.000 1.224 570 F CB -0.118 38.638 39.000 -0.407 0.000 1.060 570 F HN 0.151 nan 8.300 nan 0.000 0.584 571 A N 1.265 123.821 122.820 -0.441 0.000 2.393 571 A HA 0.852 5.184 4.320 0.021 0.000 0.306 571 A C -0.402 177.207 177.584 0.041 0.000 1.050 571 A CA -0.412 51.476 52.037 -0.248 0.000 0.724 571 A CB 0.679 19.493 19.000 -0.311 0.000 1.248 571 A HN 0.573 nan 8.150 nan 0.000 0.424 572 A N 2.905 125.752 122.820 0.045 0.000 2.351 572 A HA 0.658 4.990 4.320 0.021 0.000 0.257 572 A C -1.650 175.683 177.584 -0.418 0.000 1.087 572 A CA -1.397 50.620 52.037 -0.033 0.000 0.798 572 A CB -0.121 18.907 19.000 0.047 0.000 1.033 572 A HN 0.529 nan 8.150 nan 0.000 0.488 573 P HA -0.206 nan 4.420 nan 0.000 0.216 573 P C 1.181 178.006 177.300 -0.792 0.000 1.150 573 P CA 1.573 63.855 63.100 -1.362 0.000 0.843 573 P CB 0.074 31.360 31.700 -0.690 0.000 0.787 574 E N -0.408 119.559 120.200 -0.388 0.000 2.396 574 E HA -0.193 4.170 4.350 0.021 0.000 0.200 574 E C 0.317 176.806 176.600 -0.185 0.000 1.023 574 E CA 1.221 57.489 56.400 -0.220 0.000 0.857 574 E CB -0.916 28.709 29.700 -0.125 0.000 0.775 574 E HN 0.306 nan 8.360 nan 0.000 0.525 575 D N 0.008 120.276 120.400 -0.220 0.000 2.395 575 D HA 0.009 4.662 4.640 0.021 0.000 0.213 575 D C -0.323 175.907 176.300 -0.116 0.000 1.110 575 D CA -0.199 53.733 54.000 -0.113 0.000 0.835 575 D CB -0.112 40.663 40.800 -0.041 0.000 0.965 575 D HN 0.134 nan 8.370 nan 0.000 0.505 576 Y N 1.961 122.026 120.300 -0.392 0.000 2.937 576 Y HA 0.251 4.813 4.550 0.020 0.000 0.364 576 Y C 0.323 175.639 175.900 -0.973 0.000 1.164 576 Y CA -0.275 57.321 58.100 -0.841 0.000 2.025 576 Y CB -1.168 36.949 38.460 -0.572 0.000 2.155 576 Y HN -0.108 nan 8.280 nan 0.000 0.409 577 Q N -0.669 118.790 119.800 -0.568 0.000 2.394 577 Q HA 0.429 4.781 4.340 0.021 0.000 0.273 577 Q C 1.031 176.968 176.000 -0.106 0.000 1.089 577 Q CA -0.694 54.930 55.803 -0.298 0.000 0.812 577 Q CB 1.879 30.555 28.738 -0.103 0.000 1.353 577 Q HN 0.341 nan 8.270 nan 0.000 0.438 578 I N 0.588 121.232 120.570 0.123 0.000 2.315 578 I HA -0.255 3.927 4.170 0.021 0.000 0.251 578 I C 0.809 177.041 176.117 0.192 0.000 1.125 578 I CA 1.329 62.737 61.300 0.178 0.000 1.392 578 I CB 0.198 38.117 38.000 -0.136 0.000 1.065 578 I HN 0.607 nan 8.210 nan 0.000 0.424 579 E N 0.577 120.828 120.200 0.085 0.000 2.651 579 E HA 0.137 4.499 4.350 0.021 0.000 0.208 579 E C 0.361 176.999 176.600 0.063 0.000 0.997 579 E CA -0.018 56.431 56.400 0.081 0.000 1.020 579 E CB 0.386 30.111 29.700 0.042 0.000 1.052 579 E HN 0.365 nan 8.360 nan 0.000 0.465 580 S N -0.210 115.525 115.700 0.058 0.000 2.600 580 S HA 0.111 4.594 4.470 0.021 0.000 0.265 580 S C 1.260 175.906 174.600 0.075 0.000 1.325 580 S CA -0.415 57.810 58.200 0.042 0.000 1.002 580 S CB 2.033 65.240 63.200 0.012 0.000 0.921 580 S HN 0.166 nan 8.310 nan 0.000 0.554 581 E N 0.354 120.593 120.200 0.065 0.000 2.085 581 E HA -0.141 4.222 4.350 0.021 0.000 0.194 581 E C 1.777 178.445 176.600 0.114 0.000 0.994 581 E CA 1.469 57.914 56.400 0.076 0.000 0.801 581 E CB -0.229 29.508 29.700 0.061 0.000 0.743 581 E HN 0.587 nan 8.360 nan 0.000 0.453 582 V N 0.701 120.695 119.914 0.134 0.000 2.295 582 V HA -0.278 3.855 4.120 0.021 0.000 0.246 582 V C 2.395 178.679 176.094 0.317 0.000 1.049 582 V CA 1.839 64.266 62.300 0.212 0.000 1.024 582 V CB -0.382 31.540 31.823 0.164 0.000 0.648 582 V HN 0.354 nan 8.190 nan 0.000 0.447 583 M N 0.526 120.292 119.600 0.278 0.000 2.149 583 M HA -0.144 4.348 4.480 0.021 0.000 0.261 583 M C 1.823 178.252 176.300 0.215 0.000 1.064 583 M CA 1.705 57.201 55.300 0.327 0.000 1.102 583 M CB -0.721 32.081 32.600 0.336 0.000 1.369 583 M HN 0.320 nan 8.290 nan 0.000 0.408 584 N N 0.098 118.892 118.700 0.157 0.000 2.188 584 N HA 0.004 4.757 4.740 0.021 0.000 0.184 584 N C 1.563 177.111 175.510 0.062 0.000 1.018 584 N CA 1.502 54.610 53.050 0.097 0.000 0.858 584 N CB -0.602 37.929 38.487 0.073 0.000 0.989 584 N HN 0.441 nan 8.380 nan 0.000 0.426 585 A N -0.048 122.824 122.820 0.087 0.000 2.186 585 A HA -0.146 4.186 4.320 0.021 0.000 0.219 585 A C 0.692 178.168 177.584 -0.179 0.000 1.159 585 A CA 1.394 53.438 52.037 0.011 0.000 0.680 585 A CB -0.519 18.515 19.000 0.057 0.000 0.787 585 A HN 0.406 nan 8.150 nan 0.000 0.467 586 H N -2.586 116.376 119.070 -0.180 0.000 2.662 586 H HA 0.358 4.927 4.556 0.020 0.000 0.268 586 H C -0.262 174.843 175.328 -0.371 0.000 1.152 586 H CA 0.089 55.843 56.048 -0.490 0.000 1.072 586 H CB 0.562 29.600 29.762 -1.206 0.000 1.660 586 H HN 0.419 nan 8.280 nan 0.000 0.584 587 Q N 1.266 121.005 119.800 -0.102 0.000 2.397 587 Q HA 0.249 4.602 4.340 0.021 0.000 0.260 587 Q C -0.401 175.594 176.000 -0.007 0.000 1.002 587 Q CA -0.570 55.167 55.803 -0.110 0.000 0.716 587 Q CB 0.714 29.397 28.738 -0.091 0.000 1.258 587 Q HN -0.081 nan 8.270 nan 0.000 0.477 588 K N 1.434 121.867 120.400 0.055 0.000 2.387 588 K HA 0.187 4.519 4.320 0.021 0.000 0.198 588 K C -0.171 176.501 176.600 0.119 0.000 1.022 588 K CA -0.017 56.332 56.287 0.102 0.000 1.128 588 K CB 0.780 33.405 32.500 0.209 0.000 0.853 588 K HN 0.419 nan 8.250 nan 0.000 0.523 589 S N 1.309 117.084 115.700 0.125 0.000 2.448 589 S HA 0.139 4.621 4.470 0.021 0.000 0.320 589 S C 1.060 175.727 174.600 0.112 0.000 1.071 589 S CA -0.530 57.788 58.200 0.197 0.000 1.113 589 S CB 0.868 64.228 63.200 0.265 0.000 0.972 589 S HN 0.273 nan 8.310 nan 0.000 0.465 590 S N 4.520 120.270 115.700 0.083 0.000 2.489 590 S HA -0.049 4.434 4.470 0.021 0.000 0.228 590 S C 1.296 175.920 174.600 0.041 0.000 0.995 590 S CA 0.678 58.903 58.200 0.041 0.000 0.934 590 S CB -0.727 62.481 63.200 0.014 0.000 0.771 590 S HN 0.880 nan 8.310 nan 0.000 0.522 591 I N -0.954 119.647 120.570 0.052 0.000 3.956 591 I HA 0.542 4.724 4.170 0.021 0.000 0.333 591 I C 2.024 178.120 176.117 -0.036 0.000 1.302 591 I CA 0.023 61.322 61.300 -0.002 0.000 1.122 591 I CB -0.702 37.279 38.000 -0.031 0.000 1.013 591 I HN 0.123 nan 8.210 nan 0.000 0.405 592 G N 2.031 110.867 108.800 0.061 0.000 2.491 592 G HA2 -0.292 3.681 3.960 0.021 0.000 0.218 592 G HA3 -0.292 3.681 3.960 0.021 0.000 0.218 592 G C 1.405 176.376 174.900 0.118 0.000 1.180 592 G CA 1.262 46.439 45.100 0.127 0.000 0.774 592 G HN 0.418 nan 8.290 nan 0.000 0.562 593 N N 0.875 119.662 118.700 0.145 0.000 2.166 593 N HA -0.119 4.634 4.740 0.021 0.000 0.186 593 N C 2.617 178.210 175.510 0.139 0.000 1.019 593 N CA 1.652 54.830 53.050 0.213 0.000 0.856 593 N CB -0.465 38.145 38.487 0.204 0.000 0.993 593 N HN 0.471 nan 8.380 nan 0.000 0.426 594 S N 0.504 116.239 115.700 0.059 0.000 2.406 594 S HA 0.044 4.527 4.470 0.021 0.000 0.228 594 S C 2.065 176.678 174.600 0.022 0.000 1.020 594 S CA 0.342 58.562 58.200 0.034 0.000 0.965 594 S CB -0.501 62.701 63.200 0.002 0.000 0.798 594 S HN 0.205 nan 8.310 nan 0.000 0.488 595 L N 0.602 121.777 121.223 -0.080 0.000 2.056 595 L HA 0.016 4.369 4.340 0.021 0.000 0.207 595 L C 2.592 179.557 176.870 0.158 0.000 1.078 595 L CA 1.207 55.968 54.840 -0.131 0.000 0.749 595 L CB -0.539 41.047 42.059 -0.790 0.000 0.901 595 L HN 0.316 nan 8.230 nan 0.000 0.433 596 I N -0.496 120.180 120.570 0.177 0.000 2.142 596 I HA -0.319 3.863 4.170 0.021 0.000 0.240 596 I C 2.779 179.118 176.117 0.370 0.000 1.078 596 I CA 1.397 62.905 61.300 0.347 0.000 1.343 596 I CB -0.265 37.938 38.000 0.338 0.000 1.046 596 I HN 0.179 nan 8.210 nan 0.000 0.405 597 R N -0.107 120.583 120.500 0.316 0.000 2.081 597 R HA -0.138 4.215 4.340 0.021 0.000 0.235 597 R C 2.336 178.755 176.300 0.198 0.000 1.131 597 R CA 1.971 58.234 56.100 0.272 0.000 0.960 597 R CB -0.686 29.723 30.300 0.182 0.000 0.856 597 R HN 0.356 nan 8.270 nan 0.000 0.436 598 T N 0.372 115.024 114.554 0.163 0.000 2.580 598 T HA -0.208 4.155 4.350 0.021 0.000 0.265 598 T C 1.578 176.336 174.700 0.097 0.000 1.063 598 T CA 1.656 63.806 62.100 0.083 0.000 1.170 598 T CB -0.484 68.389 68.868 0.009 0.000 0.863 598 T HN 0.245 nan 8.240 nan 0.000 0.418 599 Y N 0.683 121.063 120.300 0.133 0.000 2.207 599 Y HA -0.118 4.445 4.550 0.021 0.000 0.287 599 Y C 2.603 178.603 175.900 0.167 0.000 1.156 599 Y CA 1.353 59.550 58.100 0.162 0.000 1.182 599 Y CB -0.403 38.266 38.460 0.347 0.000 0.979 599 Y HN 0.165 nan 8.280 nan 0.000 0.521 600 M N -0.030 119.769 119.600 0.331 0.000 2.086 600 M HA -0.290 4.202 4.480 0.021 0.000 0.261 600 M C 2.205 178.626 176.300 0.202 0.000 1.067 600 M CA 1.961 57.398 55.300 0.229 0.000 1.116 600 M CB -0.215 32.459 32.600 0.123 0.000 1.348 600 M HN 0.275 nan 8.290 nan 0.000 0.407 601 E N -0.130 120.151 120.200 0.135 0.000 2.160 601 E HA -0.233 4.130 4.350 0.021 0.000 0.195 601 E C 1.843 178.458 176.600 0.025 0.000 0.991 601 E CA 1.233 57.673 56.400 0.067 0.000 0.810 601 E CB 0.063 29.787 29.700 0.041 0.000 0.742 601 E HN 0.530 nan 8.360 nan 0.000 0.466 602 R N -0.130 120.387 120.500 0.029 0.000 2.189 602 R HA -0.051 4.301 4.340 0.021 0.000 0.218 602 R C 1.038 177.304 176.300 -0.057 0.000 1.074 602 R CA 1.132 57.218 56.100 -0.023 0.000 0.991 602 R CB 0.194 30.470 30.300 -0.040 0.000 0.883 602 R HN 0.193 nan 8.270 nan 0.000 0.457 603 D N -2.130 118.241 120.400 -0.049 0.000 2.502 603 D HA 0.111 4.764 4.640 0.021 0.000 0.232 603 D C -0.507 175.437 176.300 -0.593 0.000 1.137 603 D CA 0.393 54.208 54.000 -0.309 0.000 0.827 603 D CB 0.855 41.451 40.800 -0.340 0.000 1.141 603 D HN -0.006 nan 8.370 nan 0.000 0.517 604 Y N -0.082 120.155 120.300 -0.104 0.000 2.644 604 Y HA 0.448 5.010 4.550 0.021 0.000 0.338 604 Y C -0.257 175.562 175.900 -0.136 0.000 1.119 604 Y CA -0.949 57.070 58.100 -0.134 0.000 1.060 604 Y CB 1.618 39.996 38.460 -0.137 0.000 1.294 604 Y HN -0.338 nan 8.280 nan 0.000 0.472 605 I N 3.016 123.573 120.570 -0.023 0.000 2.325 605 I HA 0.250 4.432 4.170 0.021 0.000 0.291 605 I C -0.477 175.663 176.117 0.038 0.000 1.019 605 I CA -0.179 61.062 61.300 -0.100 0.000 1.302 605 I CB 0.507 38.255 38.000 -0.420 0.000 1.401 605 I HN 0.320 nan 8.210 nan 0.000 0.485 606 I N 8.876 129.484 120.570 0.065 0.000 2.587 606 I HA 0.096 4.278 4.170 0.021 0.000 0.284 606 I C -1.929 174.269 176.117 0.134 0.000 1.134 606 I CA -1.372 60.001 61.300 0.121 0.000 1.410 606 I CB -0.032 38.050 38.000 0.137 0.000 1.392 606 I HN 0.278 nan 8.210 nan 0.000 0.545 607 P HA 0.085 nan 4.420 nan 0.000 0.272 607 P C 0.395 177.774 177.300 0.131 0.000 1.223 607 P CA -0.335 62.860 63.100 0.158 0.000 0.784 607 P CB 0.745 32.533 31.700 0.147 0.000 0.923 608 E N 0.057 120.319 120.200 0.103 0.000 2.072 608 E HA -0.048 4.315 4.350 0.021 0.000 0.190 608 E C 0.798 177.443 176.600 0.074 0.000 0.982 608 E CA 0.996 57.439 56.400 0.072 0.000 0.803 608 E CB -0.382 29.355 29.700 0.062 0.000 0.755 608 E HN 0.544 nan 8.360 nan 0.000 0.453 609 S N -0.128 115.626 115.700 0.091 0.000 2.584 609 S HA 0.113 4.595 4.470 0.021 0.000 0.273 609 S C 0.904 175.594 174.600 0.149 0.000 1.311 609 S CA -0.753 57.515 58.200 0.114 0.000 1.034 609 S CB 0.994 64.254 63.200 0.100 0.000 0.939 609 S HN 0.104 nan 8.310 nan 0.000 0.513 610 F N 2.595 122.562 119.950 0.027 0.000 2.069 610 F HA -0.083 4.456 4.527 0.020 0.000 0.298 610 F C 2.030 177.863 175.800 0.055 0.000 1.113 610 F CA 2.343 60.347 58.000 0.008 0.000 1.214 610 F CB -0.674 38.328 39.000 0.003 0.000 0.978 610 F HN 0.743 nan 8.300 nan 0.000 0.474 611 E N 0.381 120.641 120.200 0.101 0.000 2.085 611 E HA -0.218 4.145 4.350 0.021 0.000 0.194 611 E C 1.877 178.473 176.600 -0.006 0.000 0.994 611 E CA 1.697 58.099 56.400 0.004 0.000 0.801 611 E CB -0.597 29.156 29.700 0.088 0.000 0.743 611 E HN 0.426 nan 8.360 nan 0.000 0.453 612 D N -0.462 119.967 120.400 0.048 0.000 2.144 612 D HA -0.128 4.524 4.640 0.021 0.000 0.200 612 D C 1.592 177.908 176.300 0.028 0.000 0.978 612 D CA 0.582 54.637 54.000 0.093 0.000 0.833 612 D CB -0.305 40.552 40.800 0.095 0.000 0.961 612 D HN 0.150 nan 8.370 nan 0.000 0.470 613 F N 1.040 120.881 119.950 -0.182 0.000 2.171 613 F HA -0.197 4.343 4.527 0.020 0.000 0.300 613 F C 2.068 177.636 175.800 -0.385 0.000 1.090 613 F CA 0.998 58.827 58.000 -0.284 0.000 1.293 613 F CB -0.152 38.643 39.000 -0.342 0.000 1.013 613 F HN -0.206 nan 8.300 nan 0.000 0.486 614 V N -0.100 119.564 119.914 -0.418 0.000 2.307 614 V HA -0.297 3.836 4.120 0.021 0.000 0.245 614 V C 2.106 177.998 176.094 -0.337 0.000 1.045 614 V CA 2.119 64.147 62.300 -0.453 0.000 1.024 614 V CB -1.161 30.407 31.823 -0.426 0.000 0.651 614 V HN 0.585 nan 8.190 nan 0.000 0.449 615 Y N 1.147 121.285 120.300 -0.270 0.000 2.128 615 Y HA -0.231 4.331 4.550 0.021 0.000 0.284 615 Y C 2.299 178.013 175.900 -0.309 0.000 1.154 615 Y CA 2.036 60.018 58.100 -0.197 0.000 1.149 615 Y CB -0.697 37.749 38.460 -0.023 0.000 0.976 615 Y HN 0.058 nan 8.280 nan 0.000 0.505 616 V N 0.642 120.065 119.914 -0.817 0.000 2.515 616 V HA -0.211 3.922 4.120 0.021 0.000 0.250 616 V C 2.662 178.212 176.094 -0.907 0.000 1.058 616 V CA 1.763 63.477 62.300 -0.975 0.000 1.064 616 V CB -1.607 29.815 31.823 -0.670 0.000 0.675 616 V HN 0.648 nan 8.190 nan 0.000 0.461 617 G N -0.152 108.148 108.800 -0.833 0.000 2.432 617 G HA2 -0.191 3.782 3.960 0.021 0.000 0.219 617 G HA3 -0.191 3.782 3.960 0.021 0.000 0.219 617 G C 1.583 176.155 174.900 -0.547 0.000 1.135 617 G CA 0.805 45.493 45.100 -0.687 0.000 0.767 617 G HN 0.474 nan 8.290 nan 0.000 0.550 618 L N 0.064 120.934 121.223 -0.588 0.000 2.072 618 L HA -0.038 4.315 4.340 0.021 0.000 0.205 618 L C 2.985 179.420 176.870 -0.725 0.000 1.079 618 L CA 0.318 54.781 54.840 -0.629 0.000 0.752 618 L CB -0.428 41.210 42.059 -0.702 0.000 0.906 618 L HN 0.075 nan 8.230 nan 0.000 0.436 619 V N 0.082 119.540 119.914 -0.760 0.000 2.295 619 V HA -0.307 3.825 4.120 0.021 0.000 0.246 619 V C 2.420 178.149 176.094 -0.608 0.000 1.049 619 V CA 1.813 63.715 62.300 -0.664 0.000 1.024 619 V CB -0.485 30.915 31.823 -0.704 0.000 0.648 619 V HN 0.343 nan 8.190 nan 0.000 0.447 620 L N 0.277 121.064 121.223 -0.727 0.000 1.990 620 L HA -0.264 4.088 4.340 0.021 0.000 0.213 620 L C 2.540 179.095 176.870 -0.526 0.000 1.072 620 L CA 2.640 57.145 54.840 -0.557 0.000 0.755 620 L CB -1.007 40.760 42.059 -0.487 0.000 0.889 620 L HN 0.463 nan 8.230 nan 0.000 0.432 621 Q N -0.797 118.739 119.800 -0.439 0.000 2.061 621 Q HA -0.193 4.160 4.340 0.021 0.000 0.204 621 Q C 2.060 177.765 176.000 -0.491 0.000 0.984 621 Q CA 2.036 57.616 55.803 -0.371 0.000 0.846 621 Q CB -0.625 27.989 28.738 -0.207 0.000 0.902 621 Q HN 0.669 nan 8.270 nan 0.000 0.421 622 G N 0.536 109.035 108.800 -0.501 0.000 2.459 622 G HA2 -0.287 3.685 3.960 0.021 0.000 0.217 622 G HA3 -0.287 3.685 3.960 0.021 0.000 0.217 622 G C 1.397 176.029 174.900 -0.446 0.000 1.183 622 G CA 0.825 45.641 45.100 -0.474 0.000 0.776 622 G HN 0.339 nan 8.290 nan 0.000 0.552 623 Q N 0.324 119.863 119.800 -0.435 0.000 2.083 623 Q HA -0.022 4.331 4.340 0.021 0.000 0.198 623 Q C 2.852 178.534 176.000 -0.531 0.000 0.969 623 Q CA 1.328 56.905 55.803 -0.377 0.000 0.838 623 Q CB -0.703 27.872 28.738 -0.270 0.000 0.900 623 Q HN 0.447 nan 8.270 nan 0.000 0.436 624 G N 0.977 109.224 108.800 -0.922 0.000 2.414 624 G HA2 -0.221 3.752 3.960 0.021 0.000 0.215 624 G HA3 -0.221 3.752 3.960 0.021 0.000 0.215 624 G C 1.479 175.791 174.900 -0.981 0.000 1.188 624 G CA 0.677 44.696 45.100 -1.802 0.000 0.783 624 G HN 0.143 nan 8.290 nan 0.000 0.537 625 M N 1.400 120.593 119.600 -0.678 0.000 2.080 625 M HA -0.108 4.384 4.480 0.021 0.000 0.260 625 M C 2.633 178.810 176.300 -0.204 0.000 1.068 625 M CA 1.845 56.971 55.300 -0.290 0.000 1.109 625 M CB -0.954 31.369 32.600 -0.462 0.000 1.342 625 M HN 0.422 nan 8.290 nan 0.000 0.405 626 R N -1.085 119.227 120.500 -0.314 0.000 2.115 626 R HA -0.144 4.208 4.340 0.021 0.000 0.230 626 R C 1.951 178.148 176.300 -0.172 0.000 1.111 626 R CA 1.789 57.731 56.100 -0.264 0.000 0.976 626 R CB -1.473 28.656 30.300 -0.285 0.000 0.870 626 R HN 0.367 nan 8.270 nan 0.000 0.445 627 H N 0.355 119.283 119.070 -0.237 0.000 2.353 627 H HA -0.019 4.550 4.556 0.021 0.000 0.298 627 H C 2.062 177.276 175.328 -0.191 0.000 1.103 627 H CA 2.361 58.300 56.048 -0.181 0.000 1.293 627 H CB -0.639 29.024 29.762 -0.165 0.000 1.372 627 H HN 0.387 nan 8.280 nan 0.000 0.501 628 G N 0.274 109.003 108.800 -0.118 0.000 2.459 628 G HA2 -0.237 3.735 3.960 0.021 0.000 0.217 628 G HA3 -0.237 3.735 3.960 0.021 0.000 0.217 628 G C 1.745 176.231 174.900 -0.689 0.000 1.183 628 G CA 1.055 45.931 45.100 -0.374 0.000 0.776 628 G HN 0.428 nan 8.290 nan 0.000 0.552 629 L N 0.247 121.362 121.223 -0.181 0.000 2.079 629 L HA -0.110 4.243 4.340 0.021 0.000 0.210 629 L C 2.866 179.646 176.870 -0.149 0.000 1.081 629 L CA 1.502 56.319 54.840 -0.039 0.000 0.752 629 L CB -0.506 41.501 42.059 -0.086 0.000 0.896 629 L HN 0.312 nan 8.230 nan 0.000 0.433 630 E N 0.368 120.414 120.200 -0.256 0.000 2.047 630 E HA -0.174 4.188 4.350 0.021 0.000 0.191 630 E C 2.409 178.828 176.600 -0.301 0.000 0.987 630 E CA 1.025 57.279 56.400 -0.243 0.000 0.799 630 E CB -0.259 29.298 29.700 -0.239 0.000 0.752 630 E HN 0.476 nan 8.360 nan 0.000 0.449 631 A N 1.396 123.952 122.820 -0.441 0.000 1.927 631 A HA -0.292 4.041 4.320 0.021 0.000 0.220 631 A C 1.769 179.223 177.584 -0.218 0.000 1.185 631 A CA 2.088 53.887 52.037 -0.397 0.000 0.639 631 A CB -1.088 17.631 19.000 -0.470 0.000 0.820 631 A HN 0.369 nan 8.150 nan 0.000 0.451 632 H N -1.327 117.686 119.070 -0.095 0.000 2.326 632 H HA -0.024 4.544 4.556 0.021 0.000 0.301 632 H C 2.520 177.928 175.328 0.133 0.000 1.081 632 H CA 1.134 57.219 56.048 0.063 0.000 1.334 632 H CB -0.055 29.772 29.762 0.107 0.000 1.385 632 H HN 0.395 nan 8.280 nan 0.000 0.504 633 R N 0.717 121.219 120.500 0.003 0.000 2.083 633 R HA -0.121 4.232 4.340 0.021 0.000 0.237 633 R C 2.432 178.571 176.300 -0.268 0.000 1.137 633 R CA 1.197 57.031 56.100 -0.444 0.000 0.951 633 R CB -0.249 29.823 30.300 -0.381 0.000 0.851 633 R HN 0.254 nan 8.270 nan 0.000 0.434 634 R N 0.755 121.126 120.500 -0.214 0.000 2.200 634 R HA -0.064 4.289 4.340 0.021 0.000 0.234 634 R C 0.864 177.044 176.300 -0.200 0.000 1.127 634 R CA 1.161 57.100 56.100 -0.267 0.000 0.989 634 R CB 0.022 30.062 30.300 -0.432 0.000 0.869 634 R HN 0.236 nan 8.270 nan 0.000 0.459 635 N N 0.701 119.355 118.700 -0.076 0.000 2.251 635 N HA -0.030 4.722 4.740 0.021 0.000 0.217 635 N C -0.419 175.185 175.510 0.156 0.000 1.124 635 N CA -0.112 52.951 53.050 0.022 0.000 0.843 635 N CB 0.383 38.890 38.487 0.034 0.000 1.024 635 N HN 0.138 nan 8.380 nan 0.000 0.501 636 R N 2.450 123.035 120.500 0.141 0.000 2.537 636 R HA 0.069 4.421 4.340 0.021 0.000 0.280 636 R C -1.757 174.632 176.300 0.149 0.000 1.058 636 R CA -0.635 55.589 56.100 0.208 0.000 1.057 636 R CB 0.745 31.138 30.300 0.155 0.000 0.973 636 R HN 0.027 nan 8.270 nan 0.000 0.438 637 P HA -0.001 nan 4.420 nan 0.000 0.275 637 P C 0.589 177.988 177.300 0.165 0.000 1.310 637 P CA 0.095 63.280 63.100 0.140 0.000 0.904 637 P CB -0.035 31.694 31.700 0.049 0.000 1.381 638 Y N 0.942 121.302 120.300 0.099 0.000 2.114 638 Y HA -0.181 4.381 4.550 0.021 0.000 0.282 638 Y C 1.106 177.091 175.900 0.142 0.000 1.165 638 Y CA 1.322 59.491 58.100 0.114 0.000 1.148 638 Y CB -0.489 38.034 38.460 0.105 0.000 0.972 638 Y HN 0.017 nan 8.280 nan 0.000 0.504 639 C N 2.203 121.734 119.300 0.385 0.000 2.330 639 C HA 0.360 4.833 4.460 0.021 0.000 0.344 639 C C 0.696 175.833 174.990 0.246 0.000 1.273 639 C CA -0.804 58.379 59.018 0.275 0.000 1.879 639 C CB -0.091 27.839 27.740 0.316 0.000 2.376 639 C HN 0.600 nan 8.230 nan 0.000 0.534 640 M N 4.623 124.254 119.600 0.053 0.000 2.412 640 M HA 0.320 4.813 4.480 0.021 0.000 0.315 640 M C 0.544 176.287 176.300 -0.929 0.000 1.092 640 M CA 0.179 55.419 55.300 -0.100 0.000 0.974 640 M CB -0.074 32.663 32.600 0.229 0.000 1.437 640 M HN 0.984 nan 8.290 nan 0.000 0.524 641 G N -0.538 107.391 108.800 -1.452 0.000 2.411 641 G HA2 0.379 4.352 3.960 0.021 0.000 0.295 641 G HA3 0.379 4.352 3.960 0.021 0.000 0.295 641 G C -1.645 172.475 174.900 -1.300 0.000 1.542 641 G CA -0.388 43.562 45.100 -1.916 0.000 0.814 641 G HN -0.089 nan 8.290 nan 0.000 0.557 642 T N 0.505 114.633 114.554 -0.711 0.000 3.011 642 T HA 0.613 4.975 4.350 0.021 0.000 0.303 642 T C -1.158 173.544 174.700 0.003 0.000 0.997 642 T CA -0.456 61.532 62.100 -0.187 0.000 1.007 642 T CB 0.589 69.656 68.868 0.331 0.000 1.017 642 T HN 0.555 nan 8.240 nan 0.000 0.443 643 L N 6.598 127.845 121.223 0.040 0.000 2.372 643 L HA 0.520 4.872 4.340 0.021 0.000 0.273 643 L C -0.467 176.425 176.870 0.036 0.000 0.989 643 L CA -1.291 53.543 54.840 -0.010 0.000 0.841 643 L CB 1.152 43.169 42.059 -0.071 0.000 1.225 643 L HN 0.730 nan 8.230 nan 0.000 0.414 644 Y N 0.458 120.737 120.300 -0.035 0.000 2.300 644 Y HA 0.388 4.950 4.550 0.020 0.000 0.328 644 Y C -0.435 175.317 175.900 -0.247 0.000 1.270 644 Y CA -0.917 57.022 58.100 -0.269 0.000 1.352 644 Y CB 1.005 39.167 38.460 -0.498 0.000 1.286 644 Y HN 0.556 nan 8.280 nan 0.000 0.536 645 W N 6.324 127.493 121.300 -0.219 0.000 2.314 645 W HA 0.371 5.044 4.660 0.021 0.000 0.310 645 W C -1.526 174.973 176.519 -0.032 0.000 1.075 645 W CA -0.662 56.566 57.345 -0.196 0.000 1.253 645 W CB 1.405 30.774 29.460 -0.152 0.000 1.238 645 W HN 0.923 nan 8.180 nan 0.000 0.440 646 Q N 4.078 123.578 119.800 -0.500 0.000 2.495 646 Q HA 0.273 4.625 4.340 0.021 0.000 0.287 646 Q C -0.277 175.359 176.000 -0.607 0.000 1.078 646 Q CA -0.851 54.276 55.803 -1.126 0.000 0.793 646 Q CB 2.082 29.639 28.738 -1.968 0.000 1.459 646 Q HN 0.431 nan 8.270 nan 0.000 0.422 647 L N 1.261 122.077 121.223 -0.678 0.000 2.027 647 L HA -0.010 4.343 4.340 0.021 0.000 0.206 647 L C 0.059 176.695 176.870 -0.389 0.000 1.074 647 L CA 2.042 56.623 54.840 -0.430 0.000 0.745 647 L CB -0.185 41.637 42.059 -0.394 0.000 0.898 647 L HN 0.913 nan 8.230 nan 0.000 0.433 648 N N -2.333 116.049 118.700 -0.530 0.000 2.902 648 N HA 0.279 5.032 4.740 0.021 0.000 0.268 648 N C -1.663 173.528 175.510 -0.531 0.000 1.450 648 N CA -0.695 52.082 53.050 -0.455 0.000 0.819 648 N CB 1.037 39.291 38.487 -0.389 0.000 1.540 648 N HN -0.136 nan 8.380 nan 0.000 0.545 649 D N -0.872 119.311 120.400 -0.361 0.000 2.457 649 D HA 0.317 4.970 4.640 0.021 0.000 0.240 649 D C 0.335 176.578 176.300 -0.094 0.000 1.041 649 D CA -0.372 53.461 54.000 -0.278 0.000 0.861 649 D CB 2.100 42.806 40.800 -0.157 0.000 1.394 649 D HN 0.598 nan 8.370 nan 0.000 0.473 650 S N 0.469 116.155 115.700 -0.022 0.000 2.548 650 S HA 0.152 4.635 4.470 0.021 0.000 0.215 650 S C 0.409 175.008 174.600 -0.002 0.000 0.976 650 S CA -0.237 58.041 58.200 0.131 0.000 0.908 650 S CB 0.248 63.598 63.200 0.249 0.000 0.781 650 S HN 0.611 nan 8.310 nan 0.000 0.519 651 W N -0.735 120.169 121.300 -0.660 0.000 2.929 651 W HA 0.495 5.167 4.660 0.020 0.000 0.363 651 W C -3.897 172.131 176.519 -0.819 0.000 1.168 651 W CA -2.401 54.033 57.345 -1.517 0.000 1.163 651 W CB -0.273 28.164 29.460 -1.706 0.000 1.455 651 W HN -0.247 nan 8.180 nan 0.000 0.568 652 P HA 0.361 nan 4.420 nan 0.000 0.276 652 P C -0.424 176.203 177.300 -1.121 0.000 1.264 652 P CA 0.513 63.280 63.100 -0.554 0.000 0.769 652 P CB 1.307 33.025 31.700 0.030 0.000 0.840 653 V N 4.110 123.539 119.914 -0.809 0.000 3.300 653 V HA 0.246 4.378 4.120 0.021 0.000 0.289 653 V C -1.186 174.629 176.094 -0.465 0.000 1.533 653 V CA -0.907 60.869 62.300 -0.874 0.000 1.059 653 V CB 2.333 33.518 31.823 -1.063 0.000 1.161 653 V HN 0.042 nan 8.190 nan 0.000 0.462 654 V N 3.988 123.618 119.914 -0.473 0.000 2.530 654 V HA 0.758 4.890 4.120 0.021 0.000 0.282 654 V C 0.445 176.297 176.094 -0.404 0.000 1.048 654 V CA 1.013 63.003 62.300 -0.517 0.000 0.997 654 V CB 0.694 32.036 31.823 -0.801 0.000 0.987 654 V HN 1.253 nan 8.190 nan 0.000 0.477 655 S N 3.549 118.998 115.700 -0.420 0.000 2.757 655 S HA 0.413 4.896 4.470 0.021 0.000 0.285 655 S C -0.240 174.077 174.600 -0.472 0.000 1.196 655 S CA -0.817 57.159 58.200 -0.373 0.000 0.856 655 S CB 1.058 64.247 63.200 -0.019 0.000 1.212 655 S HN 0.539 nan 8.310 nan 0.000 0.516 656 W N 2.516 123.685 121.300 -0.219 0.000 3.256 656 W HA 0.204 4.876 4.660 0.020 0.000 0.269 656 W C 1.088 177.415 176.519 -0.319 0.000 1.310 656 W CA 0.221 57.408 57.345 -0.263 0.000 1.673 656 W CB -0.448 28.987 29.460 -0.042 0.000 1.115 656 W HN 0.775 nan 8.180 nan 0.000 0.686 657 S N 0.490 116.084 115.700 -0.176 0.000 2.584 657 S HA 0.047 4.530 4.470 0.021 0.000 0.270 657 S C 1.239 175.717 174.600 -0.204 0.000 1.346 657 S CA 0.196 58.247 58.200 -0.247 0.000 1.018 657 S CB 1.582 64.612 63.200 -0.284 0.000 0.899 657 S HN 0.122 nan 8.310 nan 0.000 0.542 658 S N 0.703 116.315 115.700 -0.147 0.000 2.524 658 S HA 0.307 4.790 4.470 0.021 0.000 0.216 658 S C 0.261 174.736 174.600 -0.208 0.000 0.987 658 S CA -0.383 57.721 58.200 -0.160 0.000 0.909 658 S CB -0.665 62.520 63.200 -0.026 0.000 0.781 658 S HN 0.697 nan 8.310 nan 0.000 0.521 659 I N 3.010 123.433 120.570 -0.246 0.000 2.499 659 I HA 0.364 4.547 4.170 0.021 0.000 0.288 659 I C -0.984 175.032 176.117 -0.168 0.000 1.048 659 I CA -1.003 60.150 61.300 -0.246 0.000 1.062 659 I CB 2.026 39.796 38.000 -0.382 0.000 1.238 659 I HN 0.104 nan 8.210 nan 0.000 0.426 660 D N 4.286 124.641 120.400 -0.074 0.000 2.411 660 D HA -0.036 4.617 4.640 0.021 0.000 0.251 660 D C 0.899 177.182 176.300 -0.029 0.000 1.201 660 D CA -0.222 53.755 54.000 -0.039 0.000 0.996 660 D CB 0.555 41.381 40.800 0.044 0.000 1.101 660 D HN 0.565 nan 8.370 nan 0.000 0.504 661 Y N -0.195 119.985 120.300 -0.199 0.000 2.315 661 Y HA -0.190 4.372 4.550 0.021 0.000 0.288 661 Y C 1.021 176.724 175.900 -0.329 0.000 1.154 661 Y CA 1.378 59.287 58.100 -0.319 0.000 1.229 661 Y CB -0.305 37.880 38.460 -0.458 0.000 0.980 661 Y HN 0.387 nan 8.280 nan 0.000 0.540 662 Y N -0.082 120.182 120.300 -0.060 0.000 2.490 662 Y HA 0.270 4.832 4.550 0.020 0.000 0.281 662 Y C 1.962 177.823 175.900 -0.065 0.000 1.174 662 Y CA 0.362 58.401 58.100 -0.102 0.000 1.295 662 Y CB -0.037 38.452 38.460 0.049 0.000 1.062 662 Y HN 0.233 nan 8.280 nan 0.000 0.522 663 G N -0.341 108.476 108.800 0.028 0.000 2.175 663 G HA2 -0.281 3.692 3.960 0.021 0.000 0.244 663 G HA3 -0.281 3.692 3.960 0.021 0.000 0.244 663 G C -0.041 174.958 174.900 0.165 0.000 0.982 663 G CA -0.273 44.860 45.100 0.055 0.000 0.641 663 G HN 0.298 nan 8.290 nan 0.000 0.527 664 N N 0.803 119.621 118.700 0.196 0.000 2.438 664 N HA 0.176 4.929 4.740 0.021 0.000 0.267 664 N C 0.088 175.772 175.510 0.290 0.000 1.222 664 N CA 0.142 53.349 53.050 0.262 0.000 0.930 664 N CB 0.265 38.909 38.487 0.261 0.000 1.083 664 N HN 0.261 nan 8.380 nan 0.000 0.476 665 W N 2.633 123.948 121.300 0.024 0.000 2.322 665 W HA 0.093 4.766 4.660 0.021 0.000 0.328 665 W C 1.203 177.758 176.519 0.061 0.000 1.395 665 W CA -0.148 57.148 57.345 -0.083 0.000 1.267 665 W CB -0.068 29.210 29.460 -0.302 0.000 1.259 665 W HN 0.201 nan 8.180 nan 0.000 0.560 666 K N 2.137 122.582 120.400 0.076 0.000 2.120 666 K HA 0.378 4.710 4.320 0.021 0.000 0.245 666 K C 1.273 177.736 176.600 -0.229 0.000 1.024 666 K CA -0.009 56.202 56.287 -0.128 0.000 0.906 666 K CB 0.727 33.077 32.500 -0.251 0.000 1.051 666 K HN 0.452 nan 8.250 nan 0.000 0.491 667 A N 1.390 123.652 122.820 -0.931 0.000 1.927 667 A HA -0.213 4.120 4.320 0.021 0.000 0.220 667 A C 1.969 179.340 177.584 -0.355 0.000 1.185 667 A CA 1.751 53.235 52.037 -0.921 0.000 0.639 667 A CB -0.619 17.545 19.000 -1.393 0.000 0.820 667 A HN 0.661 nan 8.150 nan 0.000 0.451 668 L N -0.809 120.153 121.223 -0.436 0.000 2.051 668 L HA -0.245 4.108 4.340 0.021 0.000 0.214 668 L C 2.216 178.836 176.870 -0.416 0.000 1.076 668 L CA 2.888 57.464 54.840 -0.441 0.000 0.758 668 L CB -1.028 40.733 42.059 -0.497 0.000 0.890 668 L HN 0.609 nan 8.230 nan 0.000 0.433 669 H N -2.171 116.642 119.070 -0.428 0.000 2.357 669 H HA -0.153 4.416 4.556 0.021 0.000 0.301 669 H C 1.954 176.982 175.328 -0.501 0.000 1.082 669 H CA 2.258 57.931 56.048 -0.625 0.000 1.342 669 H CB -0.202 28.930 29.762 -1.050 0.000 1.389 669 H HN 0.456 nan 8.280 nan 0.000 0.511 670 Y N 0.267 120.584 120.300 0.028 0.000 2.165 670 Y HA -0.249 4.313 4.550 0.020 0.000 0.286 670 Y C 2.590 178.452 175.900 -0.064 0.000 1.155 670 Y CA 1.361 59.554 58.100 0.155 0.000 1.164 670 Y CB -0.179 38.444 38.460 0.272 0.000 0.978 670 Y HN 0.291 nan 8.280 nan 0.000 0.513 671 Q N -0.429 119.341 119.800 -0.051 0.000 2.172 671 Q HA -0.067 4.286 4.340 0.021 0.000 0.200 671 Q C 2.588 178.375 176.000 -0.354 0.000 0.964 671 Q CA 1.095 56.790 55.803 -0.180 0.000 0.855 671 Q CB -0.554 28.033 28.738 -0.252 0.000 0.918 671 Q HN 0.536 nan 8.270 nan 0.000 0.444 672 A N 1.801 124.302 122.820 -0.532 0.000 1.902 672 A HA -0.226 4.106 4.320 0.021 0.000 0.217 672 A C 2.159 179.393 177.584 -0.582 0.000 1.181 672 A CA 1.812 53.386 52.037 -0.771 0.000 0.623 672 A CB -0.473 18.074 19.000 -0.755 0.000 0.818 672 A HN 0.293 nan 8.150 nan 0.000 0.443 673 K N -0.335 119.853 120.400 -0.354 0.000 2.009 673 K HA -0.219 4.114 4.320 0.021 0.000 0.210 673 K C 2.280 178.859 176.600 -0.036 0.000 1.049 673 K CA 1.786 58.008 56.287 -0.109 0.000 0.929 673 K CB -0.208 32.307 32.500 0.026 0.000 0.714 673 K HN 0.466 nan 8.250 nan 0.000 0.440 674 R N -0.171 120.299 120.500 -0.051 0.000 2.073 674 R HA -0.073 4.280 4.340 0.021 0.000 0.234 674 R C 2.363 178.623 176.300 -0.066 0.000 1.134 674 R CA 1.355 57.441 56.100 -0.024 0.000 0.952 674 R CB -0.357 29.936 30.300 -0.011 0.000 0.850 674 R HN 0.260 nan 8.270 nan 0.000 0.433 675 A N 0.163 122.869 122.820 -0.189 0.000 2.119 675 A HA -0.054 4.278 4.320 0.021 0.000 0.217 675 A C 1.179 178.729 177.584 -0.057 0.000 1.153 675 A CA 0.884 52.802 52.037 -0.198 0.000 0.692 675 A CB -0.162 18.624 19.000 -0.358 0.000 0.799 675 A HN 0.186 nan 8.150 nan 0.000 0.458 676 F N -0.212 119.709 119.950 -0.047 0.000 2.727 676 F HA 0.440 4.979 4.527 0.020 0.000 0.302 676 F C 1.476 177.261 175.800 -0.024 0.000 1.097 676 F CA -0.913 57.067 58.000 -0.034 0.000 1.330 676 F CB -0.890 38.089 39.000 -0.036 0.000 1.084 676 F HN 0.160 nan 8.300 nan 0.000 0.578 677 A N 1.729 124.632 122.820 0.138 0.000 2.584 677 A HA 0.064 4.396 4.320 0.021 0.000 0.239 677 A C -1.146 176.485 177.584 0.079 0.000 1.043 677 A CA -0.698 51.394 52.037 0.092 0.000 0.756 677 A CB -0.300 18.737 19.000 0.061 0.000 0.963 677 A HN 0.099 nan 8.150 nan 0.000 0.511 678 P HA -0.104 nan 4.420 nan 0.000 0.217 678 P C -0.062 177.275 177.300 0.062 0.000 1.148 678 P CA 1.248 64.393 63.100 0.075 0.000 0.834 678 P CB 0.003 31.753 31.700 0.084 0.000 0.783 679 V N 0.038 119.982 119.914 0.050 0.000 2.443 679 V HA 0.384 4.516 4.120 0.021 0.000 0.293 679 V C -0.491 175.622 176.094 0.032 0.000 1.021 679 V CA -0.799 61.523 62.300 0.038 0.000 0.848 679 V CB 1.914 33.758 31.823 0.035 0.000 0.998 679 V HN -0.187 nan 8.190 nan 0.000 0.424 680 L N 6.547 127.785 121.223 0.024 0.000 2.385 680 L HA 0.696 5.049 4.340 0.021 0.000 0.273 680 L C -0.646 176.240 176.870 0.026 0.000 0.990 680 L CA -0.087 54.765 54.840 0.020 0.000 0.821 680 L CB 1.684 43.748 42.059 0.007 0.000 1.279 680 L HN 0.570 nan 8.230 nan 0.000 0.412 681 I N 4.692 125.279 120.570 0.029 0.000 2.352 681 I HA 0.267 4.450 4.170 0.021 0.000 0.290 681 I C 0.176 176.320 176.117 0.046 0.000 1.036 681 I CA 0.079 61.401 61.300 0.038 0.000 1.336 681 I CB 0.641 38.658 38.000 0.027 0.000 1.407 681 I HN 0.658 nan 8.210 nan 0.000 0.497 682 N N 8.739 127.482 118.700 0.072 0.000 2.707 682 N HA 0.329 5.081 4.740 0.021 0.000 0.235 682 N C -2.594 172.982 175.510 0.111 0.000 1.028 682 N CA -1.649 51.443 53.050 0.071 0.000 0.906 682 N CB 1.221 39.729 38.487 0.035 0.000 1.131 682 N HN 0.255 nan 8.380 nan 0.000 0.509 683 P HA 0.144 nan 4.420 nan 0.000 0.276 683 P C -0.828 176.520 177.300 0.079 0.000 1.235 683 P CA -0.266 62.855 63.100 0.034 0.000 0.772 683 P CB 1.239 32.888 31.700 -0.084 0.000 0.871 684 I N 2.274 122.899 120.570 0.090 0.000 2.468 684 I HA 0.280 4.462 4.170 0.021 0.000 0.285 684 I C -0.728 175.472 176.117 0.137 0.000 1.039 684 I CA -0.731 60.652 61.300 0.138 0.000 1.074 684 I CB 1.758 39.817 38.000 0.099 0.000 1.228 684 I HN 0.256 nan 8.210 nan 0.000 0.436 685 Q N 6.820 126.737 119.800 0.195 0.000 2.325 685 Q HA 0.616 4.969 4.340 0.021 0.000 0.262 685 Q C -1.565 174.539 176.000 0.173 0.000 0.968 685 Q CA -0.491 55.428 55.803 0.193 0.000 0.877 685 Q CB 1.104 30.024 28.738 0.303 0.000 1.253 685 Q HN 0.713 nan 8.270 nan 0.000 0.448 686 Q N 2.777 122.660 119.800 0.139 0.000 2.340 686 Q HA 0.336 4.689 4.340 0.021 0.000 0.276 686 Q C -1.044 175.013 176.000 0.095 0.000 1.048 686 Q CA -1.008 54.861 55.803 0.111 0.000 0.832 686 Q CB 1.729 30.527 28.738 0.100 0.000 1.373 686 Q HN 0.772 nan 8.270 nan 0.000 0.409 687 N N 2.123 120.870 118.700 0.078 0.000 2.708 687 N HA -0.196 4.557 4.740 0.021 0.000 0.255 687 N C -0.635 174.916 175.510 0.068 0.000 1.046 687 N CA 1.416 54.504 53.050 0.064 0.000 0.715 687 N CB -0.937 37.584 38.487 0.057 0.000 0.895 687 N HN 0.993 nan 8.380 nan 0.000 0.545 688 D N -1.896 118.548 120.400 0.074 0.000 2.997 688 D HA -0.203 4.450 4.640 0.021 0.000 0.226 688 D C -0.498 175.862 176.300 0.100 0.000 1.189 688 D CA 1.864 55.910 54.000 0.077 0.000 0.834 688 D CB -0.536 40.296 40.800 0.053 0.000 1.105 688 D HN 0.584 nan 8.370 nan 0.000 0.415 689 S N -1.110 114.658 115.700 0.113 0.000 2.536 689 S HA 0.714 5.197 4.470 0.021 0.000 0.298 689 S C -1.310 173.383 174.600 0.156 0.000 1.083 689 S CA -0.926 57.350 58.200 0.127 0.000 0.995 689 S CB 1.411 64.664 63.200 0.088 0.000 1.058 689 S HN 0.256 nan 8.310 nan 0.000 0.488 690 L N 3.489 124.828 121.223 0.192 0.000 2.333 690 L HA 0.762 5.114 4.340 0.021 0.000 0.280 690 L C -0.571 176.393 176.870 0.156 0.000 1.004 690 L CA 0.205 55.155 54.840 0.184 0.000 0.820 690 L CB 1.685 43.916 42.059 0.286 0.000 1.247 690 L HN 0.631 nan 8.230 nan 0.000 0.416 691 S N 3.039 118.819 115.700 0.133 0.000 2.704 691 S HA 0.867 5.350 4.470 0.021 0.000 0.305 691 S C -1.036 173.648 174.600 0.141 0.000 1.107 691 S CA -0.691 57.576 58.200 0.112 0.000 0.993 691 S CB 2.104 65.374 63.200 0.118 0.000 1.110 691 S HN 0.455 nan 8.310 nan 0.000 0.534 692 V N 1.966 121.922 119.914 0.070 0.000 2.569 692 V HA 0.403 4.535 4.120 0.021 0.000 0.301 692 V C -1.698 174.369 176.094 -0.045 0.000 1.044 692 V CA -0.597 61.756 62.300 0.089 0.000 0.874 692 V CB 0.977 32.859 31.823 0.098 0.000 1.002 692 V HN 0.849 nan 8.190 nan 0.000 0.424 693 Y N 4.385 124.698 120.300 0.021 0.000 2.387 693 Y HA 0.644 5.207 4.550 0.021 0.000 0.330 693 Y C 0.147 176.048 175.900 0.001 0.000 1.133 693 Y CA -0.844 57.261 58.100 0.009 0.000 1.152 693 Y CB 1.750 40.205 38.460 -0.007 0.000 1.215 693 Y HN 0.381 nan 8.280 nan 0.000 0.466 694 L N 5.182 126.481 121.223 0.127 0.000 2.280 694 L HA 0.522 4.875 4.340 0.021 0.000 0.287 694 L C -0.899 176.020 176.870 0.082 0.000 1.023 694 L CA -0.425 54.461 54.840 0.076 0.000 0.819 694 L CB 1.067 43.147 42.059 0.035 0.000 1.212 694 L HN 0.559 nan 8.230 nan 0.000 0.420 695 I N 2.418 123.020 120.570 0.053 0.000 2.410 695 I HA 0.274 4.456 4.170 0.021 0.000 0.286 695 I C -0.180 175.943 176.117 0.011 0.000 1.009 695 I CA -0.085 61.227 61.300 0.019 0.000 1.111 695 I CB 2.142 40.127 38.000 -0.025 0.000 1.262 695 I HN 0.475 nan 8.210 nan 0.000 0.443 696 S N 3.818 119.529 115.700 0.018 0.000 2.482 696 S HA 0.394 4.877 4.470 0.021 0.000 0.303 696 S C -0.180 174.459 174.600 0.064 0.000 1.091 696 S CA -0.598 57.626 58.200 0.039 0.000 1.057 696 S CB 1.139 64.365 63.200 0.043 0.000 1.031 696 S HN 0.562 nan 8.310 nan 0.000 0.485 697 D N 2.713 123.177 120.400 0.107 0.000 2.440 697 D HA 0.174 4.826 4.640 0.021 0.000 0.216 697 D C 0.188 176.689 176.300 0.334 0.000 1.150 697 D CA -0.032 54.106 54.000 0.229 0.000 0.832 697 D CB 0.428 41.346 40.800 0.197 0.000 0.992 697 D HN 0.425 nan 8.370 nan 0.000 0.502 698 R N 0.409 121.010 120.500 0.170 0.000 2.641 698 R HA 0.277 4.630 4.340 0.021 0.000 0.269 698 R C 1.481 177.759 176.300 -0.037 0.000 1.074 698 R CA -0.260 55.898 56.100 0.096 0.000 1.133 698 R CB 1.330 31.660 30.300 0.051 0.000 1.029 698 R HN -0.015 nan 8.270 nan 0.000 0.488 699 L N 1.059 122.162 121.223 -0.201 0.000 2.478 699 L HA -0.039 4.313 4.340 0.021 0.000 0.223 699 L C 0.631 177.397 176.870 -0.174 0.000 1.140 699 L CA 0.634 55.268 54.840 -0.343 0.000 0.842 699 L CB -0.420 41.342 42.059 -0.495 0.000 0.953 699 L HN 0.701 nan 8.230 nan 0.000 0.452 700 D N -1.394 118.949 120.400 -0.096 0.000 2.269 700 D HA 0.162 4.814 4.640 0.021 0.000 0.244 700 D C -0.505 175.777 176.300 -0.030 0.000 0.992 700 D CA -0.451 53.515 54.000 -0.057 0.000 0.894 700 D CB 1.602 42.379 40.800 -0.040 0.000 1.248 700 D HN -0.276 nan 8.370 nan 0.000 0.468 701 T N 1.615 116.156 114.554 -0.023 0.000 2.743 701 T HA 0.270 4.633 4.350 0.021 0.000 0.293 701 T C 0.461 175.160 174.700 -0.003 0.000 0.945 701 T CA -0.492 61.602 62.100 -0.009 0.000 1.030 701 T CB 0.509 69.372 68.868 -0.008 0.000 0.912 701 T HN 0.219 nan 8.240 nan 0.000 0.483 702 M N 4.291 123.894 119.600 0.004 0.000 2.180 702 M HA 0.357 4.850 4.480 0.021 0.000 0.358 702 M C 0.423 176.728 176.300 0.008 0.000 1.233 702 M CA -0.356 54.949 55.300 0.007 0.000 1.114 702 M CB 0.718 33.325 32.600 0.011 0.000 1.594 702 M HN 0.618 nan 8.290 nan 0.000 0.467 703 E N 0.997 121.202 120.200 0.008 0.000 2.359 703 E HA 0.588 4.950 4.350 0.021 0.000 0.266 703 E C -0.278 176.330 176.600 0.014 0.000 0.920 703 E CA -0.862 55.545 56.400 0.010 0.000 0.788 703 E CB 0.986 30.690 29.700 0.008 0.000 1.279 703 E HN 0.645 nan 8.360 nan 0.000 0.438 704 Q N 0.595 120.407 119.800 0.018 0.000 2.463 704 Q HA -0.158 4.194 4.340 0.021 0.000 0.299 704 Q C -0.462 175.557 176.000 0.033 0.000 1.353 704 Q CA 1.488 57.307 55.803 0.026 0.000 0.828 704 Q CB -2.160 26.589 28.738 0.019 0.000 1.157 704 Q HN 0.417 nan 8.270 nan 0.000 0.436 705 M N 0.237 119.854 119.600 0.029 0.000 2.359 705 M HA 0.691 5.183 4.480 0.021 0.000 0.322 705 M C 0.386 176.702 176.300 0.027 0.000 1.166 705 M CA -0.557 54.758 55.300 0.024 0.000 1.067 705 M CB 1.665 34.273 32.600 0.012 0.000 1.523 705 M HN 0.420 nan 8.290 nan 0.000 0.467 706 T N 2.675 117.237 114.554 0.013 0.000 2.847 706 T HA 0.547 4.909 4.350 0.021 0.000 0.291 706 T C -0.888 173.768 174.700 -0.073 0.000 0.998 706 T CA -0.536 61.546 62.100 -0.029 0.000 0.967 706 T CB 1.263 70.152 68.868 0.035 0.000 0.954 706 T HN 0.511 nan 8.240 nan 0.000 0.441 707 L N 3.592 124.742 121.223 -0.122 0.000 2.292 707 L HA 0.669 5.021 4.340 0.021 0.000 0.284 707 L C -0.068 176.692 176.870 -0.184 0.000 1.065 707 L CA -0.007 54.757 54.840 -0.126 0.000 0.806 707 L CB 0.853 42.841 42.059 -0.119 0.000 1.175 707 L HN 0.660 nan 8.230 nan 0.000 0.431 708 E N 5.953 126.070 120.200 -0.139 0.000 2.275 708 E HA 0.547 4.909 4.350 0.021 0.000 0.270 708 E C -1.806 174.733 176.600 -0.101 0.000 0.882 708 E CA -0.665 55.654 56.400 -0.135 0.000 0.758 708 E CB 1.440 31.089 29.700 -0.084 0.000 1.195 708 E HN 0.758 nan 8.360 nan 0.000 0.419 709 M N 3.357 122.890 119.600 -0.112 0.000 2.550 709 M HA 0.511 5.003 4.480 0.021 0.000 0.292 709 M C -1.102 175.198 176.300 -0.001 0.000 1.221 709 M CA -0.896 54.373 55.300 -0.052 0.000 0.873 709 M CB 2.699 35.244 32.600 -0.091 0.000 1.727 709 M HN 0.411 nan 8.290 nan 0.000 0.459 710 K N 0.282 120.713 120.400 0.052 0.000 2.546 710 K HA 0.706 5.038 4.320 0.021 0.000 0.264 710 K C -1.720 174.920 176.600 0.066 0.000 0.937 710 K CA -0.951 55.374 56.287 0.063 0.000 0.833 710 K CB 1.995 34.509 32.500 0.022 0.000 1.378 710 K HN 0.445 nan 8.250 nan 0.000 0.432 711 V N 1.947 121.909 119.914 0.081 0.000 2.546 711 V HA 0.353 4.485 4.120 0.021 0.000 0.284 711 V C -0.475 175.517 176.094 -0.170 0.000 1.050 711 V CA -0.489 61.807 62.300 -0.006 0.000 0.981 711 V CB 1.374 33.217 31.823 0.032 0.000 0.990 711 V HN 0.569 nan 8.190 nan 0.000 0.474 712 V N 4.039 123.693 119.914 -0.433 0.000 2.668 712 V HA 0.370 4.502 4.120 0.021 0.000 0.304 712 V C -0.619 175.072 176.094 -0.672 0.000 1.071 712 V CA -0.990 60.988 62.300 -0.536 0.000 0.894 712 V CB 2.122 33.534 31.823 -0.684 0.000 1.008 712 V HN 1.035 nan 8.190 nan 0.000 0.425 713 D N 2.976 123.166 120.400 -0.350 0.000 2.433 713 D HA 0.225 4.877 4.640 0.021 0.000 0.255 713 D C 0.562 176.874 176.300 0.021 0.000 1.226 713 D CA -0.620 53.213 54.000 -0.280 0.000 1.015 713 D CB 0.533 41.194 40.800 -0.231 0.000 1.091 713 D HN 0.238 nan 8.370 nan 0.000 0.527 714 F N -0.716 119.267 119.950 0.055 0.000 2.805 714 F HA 0.093 4.633 4.527 0.021 0.000 0.301 714 F C 1.064 176.926 175.800 0.102 0.000 1.196 714 F CA -0.008 58.093 58.000 0.170 0.000 1.439 714 F CB -0.585 38.519 39.000 0.173 0.000 1.117 714 F HN 0.275 nan 8.300 nan 0.000 0.581 715 D N -1.387 119.132 120.400 0.199 0.000 2.474 715 D HA 0.233 4.885 4.640 0.021 0.000 0.213 715 D C 2.097 178.452 176.300 0.092 0.000 1.120 715 D CA 0.940 55.010 54.000 0.117 0.000 0.836 715 D CB 1.019 41.862 40.800 0.071 0.000 1.019 715 D HN 0.297 nan 8.370 nan 0.000 0.507 716 G N 1.645 110.500 108.800 0.092 0.000 2.201 716 G HA2 -0.244 3.728 3.960 0.021 0.000 0.212 716 G HA3 -0.244 3.728 3.960 0.021 0.000 0.212 716 G C 0.146 175.057 174.900 0.019 0.000 0.994 716 G CA -0.420 44.724 45.100 0.074 0.000 0.644 716 G HN 0.268 nan 8.290 nan 0.000 0.508 717 K N 2.005 122.401 120.400 -0.006 0.000 2.383 717 K HA 0.452 4.785 4.320 0.021 0.000 0.286 717 K C 0.122 176.685 176.600 -0.061 0.000 1.051 717 K CA 0.127 56.400 56.287 -0.025 0.000 0.974 717 K CB 0.725 33.209 32.500 -0.027 0.000 0.968 717 K HN 0.093 nan 8.250 nan 0.000 0.475 718 T N 2.699 117.228 114.554 -0.042 0.000 2.888 718 T HA 0.085 4.448 4.350 0.021 0.000 0.301 718 T C -0.077 174.595 174.700 -0.046 0.000 1.001 718 T CA -0.464 61.605 62.100 -0.051 0.000 1.147 718 T CB 0.216 69.072 68.868 -0.021 0.000 0.931 718 T HN 0.162 nan 8.240 nan 0.000 0.541 719 L N 3.747 124.937 121.223 -0.056 0.000 2.275 719 L HA 0.768 5.120 4.340 0.021 0.000 0.288 719 L C 1.230 178.109 176.870 0.015 0.000 1.046 719 L CA -0.098 54.720 54.840 -0.037 0.000 0.805 719 L CB -0.285 41.729 42.059 -0.074 0.000 1.193 719 L HN 1.274 nan 8.230 nan 0.000 0.426 720 G N 1.033 109.845 108.800 0.020 0.000 2.697 720 G HA2 0.095 4.068 3.960 0.021 0.000 0.240 720 G HA3 0.095 4.068 3.960 0.021 0.000 0.240 720 G C -0.055 174.858 174.900 0.021 0.000 1.346 720 G CA 0.067 45.188 45.100 0.035 0.000 0.887 720 G HN 1.217 nan 8.290 nan 0.000 0.569 721 K N 0.098 120.506 120.400 0.014 0.000 2.098 721 K HA 0.746 5.079 4.320 0.021 0.000 0.244 721 K C 0.812 177.413 176.600 0.001 0.000 1.014 721 K CA 0.429 56.717 56.287 0.002 0.000 0.917 721 K CB 0.332 nan 32.500 nan 0.000 1.072 721 K HN 0.886 nan 8.250 nan 0.000 0.477 722 K N 0.093 120.489 120.400 -0.006 0.000 2.440 722 K HA 0.194 4.527 4.320 0.021 0.000 0.270 722 K C -0.171 176.398 176.600 -0.051 0.000 0.980 722 K CA 0.337 56.612 56.287 -0.020 0.000 0.953 722 K CB 0.067 32.556 32.500 -0.018 0.000 0.925 722 K HN 0.528 nan 8.250 nan 0.000 0.497 723 I N 2.132 122.646 120.570 -0.093 0.000 2.525 723 I HA 0.203 4.385 4.170 0.021 0.000 0.301 723 I C -0.190 175.811 176.117 -0.195 0.000 0.992 723 I CA -0.718 60.484 61.300 -0.164 0.000 1.162 723 I CB 1.593 39.427 38.000 -0.276 0.000 1.332 723 I HN 0.365 nan 8.210 nan 0.000 0.458 724 Q N 4.923 124.597 119.800 -0.210 0.000 2.271 724 Q HA 0.517 4.870 4.340 0.021 0.000 0.268 724 Q C -1.540 174.233 176.000 -0.377 0.000 1.021 724 Q CA -0.679 54.936 55.803 -0.314 0.000 0.802 724 Q CB 3.209 31.794 28.738 -0.255 0.000 1.282 724 Q HN 0.406 nan 8.270 nan 0.000 0.431 725 V N 3.000 122.651 119.914 -0.439 0.000 2.409 725 V HA 0.408 4.541 4.120 0.021 0.000 0.290 725 V C -0.340 175.562 176.094 -0.321 0.000 1.017 725 V CA -0.748 61.387 62.300 -0.276 0.000 0.841 725 V CB 1.356 33.106 31.823 -0.121 0.000 1.003 725 V HN 0.680 nan 8.190 nan 0.000 0.426 726 H N 2.122 121.185 119.070 -0.013 0.000 2.615 726 H HA 0.511 5.079 4.556 0.021 0.000 0.346 726 H C 0.816 176.139 175.328 -0.007 0.000 1.200 726 H CA -0.035 56.006 56.048 -0.012 0.000 1.264 726 H CB 1.897 31.652 29.762 -0.012 0.000 1.699 726 H HN 0.705 nan 8.280 nan 0.000 0.567 727 S N -0.444 115.338 115.700 0.136 0.000 3.382 727 S HA -0.167 4.315 4.470 0.021 0.000 0.293 727 S C 0.379 175.003 174.600 0.039 0.000 1.262 727 S CA 0.146 58.387 58.200 0.068 0.000 0.969 727 S CB -1.691 61.543 63.200 0.057 0.000 1.136 727 S HN 0.398 nan 8.310 nan 0.000 0.635 728 L N 1.664 122.905 121.223 0.030 0.000 2.410 728 L HA 0.249 4.601 4.340 0.021 0.000 0.273 728 L C 0.852 177.729 176.870 0.013 0.000 1.152 728 L CA 0.535 55.382 54.840 0.012 0.000 0.855 728 L CB 0.435 42.492 42.059 -0.002 0.000 1.129 728 L HN 0.276 nan 8.230 nan 0.000 0.463 729 E N 2.597 122.803 120.200 0.010 0.000 2.175 729 E HA 0.313 4.675 4.350 0.021 0.000 0.278 729 E C -1.264 175.342 176.600 0.010 0.000 0.969 729 E CA -0.623 55.783 56.400 0.010 0.000 0.796 729 E CB 1.879 31.585 29.700 0.009 0.000 1.104 729 E HN 0.283 nan 8.360 nan 0.000 0.395 730 V N 7.055 126.976 119.914 0.012 0.000 2.257 730 V HA 0.248 4.380 4.120 0.021 0.000 0.269 730 V C -2.256 173.847 176.094 0.016 0.000 1.040 730 V CA -1.766 60.544 62.300 0.016 0.000 0.813 730 V CB 0.548 32.382 31.823 0.018 0.000 1.065 730 V HN 0.595 nan 8.190 nan 0.000 0.457 731 P HA 0.244 nan 4.420 nan 0.000 0.272 731 P C 0.008 177.317 177.300 0.015 0.000 1.230 731 P CA -0.156 62.952 63.100 0.013 0.000 0.788 731 P CB 0.670 32.379 31.700 0.016 0.000 0.949 732 A N 2.442 125.264 122.820 0.003 0.000 2.567 732 A HA 0.032 4.365 4.320 0.021 0.000 0.240 732 A C 0.729 178.327 177.584 0.024 0.000 1.053 732 A CA 0.228 52.263 52.037 -0.004 0.000 0.755 732 A CB -1.182 17.790 19.000 -0.046 0.000 0.978 732 A HN 0.717 nan 8.150 nan 0.000 0.507 733 N N -0.086 118.649 118.700 0.058 0.000 2.740 733 N HA -0.147 4.605 4.740 0.021 0.000 0.248 733 N C -0.016 175.542 175.510 0.080 0.000 1.062 733 N CA 1.652 54.766 53.050 0.106 0.000 0.704 733 N CB -1.485 37.084 38.487 0.137 0.000 0.968 733 N HN 1.213 nan 8.380 nan 0.000 0.547 734 T N -3.809 110.779 114.554 0.056 0.000 2.896 734 T HA 0.713 5.075 4.350 0.021 0.000 0.297 734 T C -0.197 174.531 174.700 0.046 0.000 1.108 734 T CA -0.704 61.429 62.100 0.054 0.000 1.004 734 T CB 2.295 71.194 68.868 0.051 0.000 1.159 734 T HN -0.034 nan 8.240 nan 0.000 0.499 735 S N 1.195 116.932 115.700 0.061 0.000 2.478 735 S HA 0.647 5.129 4.470 0.021 0.000 0.312 735 S C -0.690 174.022 174.600 0.187 0.000 1.094 735 S CA -0.948 57.309 58.200 0.094 0.000 1.081 735 S CB 0.832 64.053 63.200 0.034 0.000 1.007 735 S HN 0.658 nan 8.310 nan 0.000 0.475 736 K N 1.069 121.601 120.400 0.221 0.000 2.468 736 K HA 0.427 4.759 4.320 0.021 0.000 0.252 736 K C -1.084 175.472 176.600 -0.073 0.000 0.932 736 K CA -0.571 55.795 56.287 0.132 0.000 0.794 736 K CB 1.977 34.505 32.500 0.047 0.000 1.241 736 K HN 0.671 nan 8.250 nan 0.000 0.428 737 C N 2.956 122.019 119.300 -0.394 0.000 2.601 737 C HA 0.360 4.832 4.460 0.021 0.000 0.409 737 C C 1.392 176.176 174.990 -0.342 0.000 1.293 737 C CA -0.090 58.419 59.018 -0.849 0.000 2.101 737 C CB -0.520 26.701 27.740 -0.866 0.000 2.639 737 C HN 0.730 nan 8.230 nan 0.000 0.592 738 V N 2.499 122.262 119.914 -0.252 0.000 3.392 738 V HA 0.401 4.534 4.120 0.021 0.000 0.285 738 V C -0.374 175.733 176.094 0.022 0.000 1.582 738 V CA -0.067 62.182 62.300 -0.086 0.000 1.034 738 V CB -0.853 30.945 31.823 -0.042 0.000 0.846 738 V HN 0.804 nan 8.190 nan 0.000 0.431 739 Y N 1.134 121.336 120.300 -0.163 0.000 2.521 739 Y HA 0.767 5.330 4.550 0.021 0.000 0.332 739 Y C -0.797 175.041 175.900 -0.102 0.000 1.121 739 Y CA -1.018 57.011 58.100 -0.118 0.000 1.037 739 Y CB 1.710 40.113 38.460 -0.094 0.000 1.330 739 Y HN 0.320 nan 8.280 nan 0.000 0.452 740 R N 4.237 124.338 120.500 -0.665 0.000 2.584 740 R HA 0.920 5.273 4.340 0.021 0.000 0.276 740 R C -2.257 173.702 176.300 -0.568 0.000 1.046 740 R CA -0.552 55.307 56.100 -0.402 0.000 0.906 740 R CB 1.734 31.904 30.300 -0.218 0.000 1.215 740 R HN 0.930 nan 8.270 nan 0.000 0.449 741 A N 1.946 124.614 122.820 -0.253 0.000 2.577 741 A HA 0.424 4.757 4.320 0.021 0.000 0.297 741 A C -1.212 176.434 177.584 0.104 0.000 1.060 741 A CA -0.843 51.105 52.037 -0.149 0.000 0.697 741 A CB 1.423 20.279 19.000 -0.239 0.000 1.281 741 A HN 0.685 nan 8.150 nan 0.000 0.402 742 K N 1.169 121.627 120.400 0.096 0.000 2.168 742 K HA 0.501 4.833 4.320 0.021 0.000 0.258 742 K C 0.174 176.938 176.600 0.273 0.000 1.010 742 K CA -0.138 56.239 56.287 0.149 0.000 0.929 742 K CB 0.463 33.012 32.500 0.082 0.000 0.998 742 K HN 0.644 nan 8.250 nan 0.000 0.479 743 L N 0.269 121.614 121.223 0.204 0.000 2.209 743 L HA 0.182 4.534 4.340 0.021 0.000 0.207 743 L C 0.937 177.862 176.870 0.093 0.000 1.094 743 L CA 1.258 56.178 54.840 0.133 0.000 0.790 743 L CB -0.953 41.085 42.059 -0.035 0.000 0.932 743 L HN 1.010 nan 8.230 nan 0.000 0.447 744 D N 0.044 120.487 120.400 0.072 0.000 2.412 744 D HA 0.337 4.990 4.640 0.021 0.000 0.257 744 D C 1.273 177.618 176.300 0.076 0.000 1.217 744 D CA 1.104 55.133 54.000 0.048 0.000 0.897 744 D CB 0.238 41.057 40.800 0.033 0.000 1.132 744 D HN 0.357 nan 8.370 nan 0.000 0.493 745 G N 3.250 112.090 108.800 0.066 0.000 2.136 745 G HA2 -0.295 3.677 3.960 0.021 0.000 0.242 745 G HA3 -0.295 3.677 3.960 0.021 0.000 0.242 745 G C 0.373 175.367 174.900 0.158 0.000 0.989 745 G CA 0.419 45.566 45.100 0.078 0.000 0.682 745 G HN 0.563 nan 8.290 nan 0.000 0.522 746 W N -0.371 120.894 121.300 -0.059 0.000 3.772 746 W HA 0.606 5.278 4.660 0.021 0.000 0.224 746 W C -0.530 175.919 176.519 -0.115 0.000 1.009 746 W CA 0.570 57.874 57.345 -0.070 0.000 1.889 746 W CB 0.157 29.585 29.460 -0.055 0.000 0.909 746 W HN 0.169 nan 8.180 nan 0.000 0.794 747 L N 1.110 122.250 121.223 -0.139 0.000 2.422 747 L HA 0.418 4.770 4.340 0.021 0.000 0.264 747 L C 0.454 177.189 176.870 -0.225 0.000 0.984 747 L CA -0.835 53.800 54.840 -0.342 0.000 0.819 747 L CB 0.784 42.373 42.059 -0.784 0.000 1.330 747 L HN -0.202 nan 8.230 nan 0.000 0.410 748 T N 1.055 115.501 114.554 -0.181 0.000 2.816 748 T HA 0.367 4.730 4.350 0.021 0.000 0.282 748 T C -1.777 172.836 174.700 -0.145 0.000 0.993 748 T CA -1.284 60.740 62.100 -0.127 0.000 0.994 748 T CB 1.069 69.881 68.868 -0.094 0.000 1.025 748 T HN 0.461 nan 8.240 nan 0.000 0.529 749 P HA -0.004 nan 4.420 nan 0.000 0.218 749 P C 1.253 178.503 177.300 -0.084 0.000 1.149 749 P CA 0.820 63.870 63.100 -0.083 0.000 0.817 749 P CB 0.098 31.769 31.700 -0.049 0.000 0.785 750 E N -0.062 120.087 120.200 -0.084 0.000 2.072 750 E HA -0.211 4.152 4.350 0.021 0.000 0.191 750 E C 1.342 177.865 176.600 -0.129 0.000 0.985 750 E CA 1.166 57.516 56.400 -0.084 0.000 0.801 750 E CB -0.377 29.281 29.700 -0.071 0.000 0.750 750 E HN 0.067 nan 8.360 nan 0.000 0.452 751 D N 0.142 120.440 120.400 -0.169 0.000 2.133 751 D HA -0.185 4.467 4.640 0.021 0.000 0.195 751 D C 1.912 178.052 176.300 -0.267 0.000 0.997 751 D CA 1.226 55.082 54.000 -0.241 0.000 0.840 751 D CB -0.469 40.154 40.800 -0.295 0.000 0.947 751 D HN 0.278 nan 8.370 nan 0.000 0.452 752 C N 0.114 119.273 119.300 -0.235 0.000 2.446 752 C HA 0.039 4.511 4.460 0.021 0.000 0.279 752 C C 2.249 177.267 174.990 0.046 0.000 1.366 752 C CA 0.092 59.025 59.018 -0.141 0.000 1.763 752 C CB -0.749 26.922 27.740 -0.115 0.000 1.929 752 C HN 0.315 nan 8.230 nan 0.000 0.509 753 R N 0.183 120.678 120.500 -0.008 0.000 2.299 753 R HA 0.093 4.446 4.340 0.021 0.000 0.197 753 R C 1.658 177.957 176.300 -0.002 0.000 0.971 753 R CA 0.456 56.594 56.100 0.063 0.000 1.030 753 R CB 0.006 30.325 30.300 0.032 0.000 0.932 753 R HN 0.560 nan 8.270 nan 0.000 0.477 754 R N -0.333 119.986 120.500 -0.302 0.000 2.531 754 R HA 0.128 4.480 4.340 0.021 0.000 0.316 754 R C -0.080 175.346 176.300 -1.457 0.000 0.955 754 R CA 0.122 55.719 56.100 -0.837 0.000 1.120 754 R CB 1.281 31.319 30.300 -0.436 0.000 1.361 754 R HN 0.044 nan 8.270 nan 0.000 0.534 755 S N -0.143 115.088 115.700 -0.781 0.000 2.638 755 S HA 0.659 5.142 4.470 0.021 0.000 0.274 755 S C -0.789 173.931 174.600 0.199 0.000 1.157 755 S CA -1.004 56.965 58.200 -0.385 0.000 0.826 755 S CB 1.544 64.550 63.200 -0.323 0.000 1.139 755 S HN 0.163 nan 8.310 nan 0.000 0.474 756 F N -0.265 119.742 119.950 0.094 0.000 2.611 756 F HA 0.893 5.432 4.527 0.021 0.000 0.324 756 F C -1.163 174.589 175.800 -0.080 0.000 1.061 756 F CA -1.485 56.359 58.000 -0.259 0.000 0.954 756 F CB 0.934 39.439 39.000 -0.826 0.000 1.301 756 F HN 0.630 nan 8.300 nan 0.000 0.482 757 L N 2.465 123.682 121.223 -0.010 0.000 2.295 757 L HA 0.538 4.890 4.340 0.021 0.000 0.285 757 L C -0.664 176.313 176.870 0.177 0.000 1.035 757 L CA -0.491 54.409 54.840 0.101 0.000 0.806 757 L CB 1.365 43.493 42.059 0.114 0.000 1.214 757 L HN 0.799 nan 8.230 nan 0.000 0.426 758 K N 4.031 124.541 120.400 0.183 0.000 2.138 758 K HA 0.743 5.076 4.320 0.021 0.000 0.263 758 K C -1.694 174.957 176.600 0.085 0.000 0.965 758 K CA -0.595 55.795 56.287 0.172 0.000 0.868 758 K CB 0.934 33.559 32.500 0.210 0.000 1.083 758 K HN 0.577 nan 8.250 nan 0.000 0.443 759 L N 3.705 124.961 121.223 0.056 0.000 2.436 759 L HA 0.541 4.893 4.340 0.021 0.000 0.268 759 L C -0.930 175.947 176.870 0.011 0.000 0.974 759 L CA -0.628 54.223 54.840 0.019 0.000 0.826 759 L CB 1.930 43.997 42.059 0.013 0.000 1.291 759 L HN 0.386 nan 8.230 nan 0.000 0.406 760 I N 2.887 123.453 120.570 -0.007 0.000 2.619 760 I HA 0.622 4.804 4.170 0.021 0.000 0.292 760 I C -1.026 175.081 176.117 -0.017 0.000 1.100 760 I CA -0.593 60.705 61.300 -0.003 0.000 1.043 760 I CB 2.225 40.227 38.000 0.002 0.000 1.239 760 I HN 0.563 nan 8.210 nan 0.000 0.420 761 L N 6.773 127.992 121.223 -0.007 0.000 2.356 761 L HA 0.693 5.045 4.340 0.021 0.000 0.277 761 L C -0.284 176.586 176.870 -0.000 0.000 0.996 761 L CA -0.077 54.757 54.840 -0.010 0.000 0.822 761 L CB 1.285 43.343 42.059 -0.003 0.000 1.256 761 L HN 0.781 nan 8.230 nan 0.000 0.413 762 K N 1.704 122.104 120.400 0.000 0.000 2.400 762 K HA 0.672 5.004 4.320 0.021 0.000 0.246 762 K C -1.076 175.534 176.600 0.016 0.000 0.995 762 K CA -0.864 55.429 56.287 0.011 0.000 0.840 762 K CB 1.741 34.249 32.500 0.014 0.000 1.293 762 K HN 0.574 nan 8.250 nan 0.000 0.445 763 D N 0.077 120.487 120.400 0.018 0.000 2.380 763 D HA 0.111 4.764 4.640 0.021 0.000 0.254 763 D C 1.513 177.828 176.300 0.024 0.000 1.288 763 D CA -0.072 53.939 54.000 0.019 0.000 1.008 763 D CB 0.278 41.087 40.800 0.015 0.000 1.099 763 D HN 0.624 nan 8.370 nan 0.000 0.537 764 K N -0.485 119.928 120.400 0.021 0.000 2.059 764 K HA -0.141 4.192 4.320 0.021 0.000 0.212 764 K C 2.256 178.867 176.600 0.018 0.000 1.050 764 K CA 2.486 58.785 56.287 0.020 0.000 0.927 764 K CB -1.904 nan 32.500 nan 0.000 0.714 764 K HN 0.731 nan 8.250 nan 0.000 0.447 765 S N -0.724 114.985 115.700 0.014 0.000 2.622 765 S HA 0.476 4.959 4.470 0.021 0.000 0.236 765 S C 1.750 176.358 174.600 0.014 0.000 0.956 765 S CA 0.869 59.076 58.200 0.012 0.000 0.971 765 S CB -0.545 nan 63.200 nan 0.000 0.782 765 S HN 1.714 nan 8.310 nan 0.000 0.468 766 G N -1.065 107.747 108.800 0.020 0.000 2.179 766 G HA2 -0.084 3.889 3.960 0.021 0.000 0.260 766 G HA3 -0.084 3.889 3.960 0.021 0.000 0.260 766 G C 0.244 175.154 174.900 0.017 0.000 0.977 766 G CA 0.784 45.897 45.100 0.021 0.000 0.641 766 G HN 1.734 nan 8.290 nan 0.000 0.533 767 H N -0.326 118.753 119.070 0.015 0.000 2.722 767 H HA 0.787 5.355 4.556 0.021 0.000 0.328 767 H C 0.642 175.978 175.328 0.013 0.000 1.067 767 H CA 0.779 56.834 56.048 0.013 0.000 1.447 767 H CB 0.454 30.223 29.762 0.011 0.000 1.469 767 H HN 0.847 nan 8.280 nan 0.000 0.544 768 Q N 2.249 122.057 119.800 0.012 0.000 2.286 768 Q HA 0.259 4.611 4.340 0.021 0.000 0.290 768 Q C 0.979 176.987 176.000 0.013 0.000 1.049 768 Q CA 0.779 56.589 55.803 0.012 0.000 0.923 768 Q CB 0.717 29.461 28.738 0.011 0.000 1.183 768 Q HN 0.875 nan 8.270 nan 0.000 0.383 769 V N 0.584 120.506 119.914 0.013 0.000 3.548 769 V HA 0.723 4.856 4.120 0.021 0.000 0.279 769 V C 0.040 176.145 176.094 0.018 0.000 1.446 769 V CA 0.495 62.805 62.300 0.016 0.000 1.023 769 V CB 0.217 32.050 31.823 0.017 0.000 0.820 769 V HN 0.705 nan 8.190 nan 0.000 0.438 770 A N 0.914 123.743 122.820 0.015 0.000 2.612 770 A HA 0.815 5.147 4.320 0.021 0.000 0.293 770 A C -1.120 176.473 177.584 0.014 0.000 1.075 770 A CA -0.112 51.936 52.037 0.017 0.000 0.680 770 A CB 1.528 20.540 19.000 0.020 0.000 1.279 770 A HN 0.720 nan 8.150 nan 0.000 0.411 771 E N 0.027 120.236 120.200 0.016 0.000 2.366 771 E HA 0.743 5.105 4.350 0.021 0.000 0.278 771 E C -0.879 175.733 176.600 0.020 0.000 0.923 771 E CA -0.550 55.859 56.400 0.016 0.000 0.761 771 E CB 1.983 31.691 29.700 0.014 0.000 1.231 771 E HN 0.855 nan 8.360 nan 0.000 0.443 772 S N 1.207 116.922 115.700 0.025 0.000 2.697 772 S HA 0.695 5.177 4.470 0.021 0.000 0.289 772 S C -1.653 172.967 174.600 0.034 0.000 1.149 772 S CA -0.566 57.653 58.200 0.031 0.000 0.850 772 S CB 1.971 65.195 63.200 0.039 0.000 1.151 772 S HN 0.436 nan 8.310 nan 0.000 0.491 773 V N 2.223 122.155 119.914 0.031 0.000 2.686 773 V HA 0.496 4.628 4.120 0.021 0.000 0.306 773 V C -1.225 174.877 176.094 0.014 0.000 1.065 773 V CA -0.614 61.684 62.300 -0.003 0.000 0.894 773 V CB 1.649 33.424 31.823 -0.080 0.000 1.004 773 V HN 1.003 nan 8.190 nan 0.000 0.424 774 H N 3.847 122.809 119.070 -0.180 0.000 2.489 774 H HA 0.692 5.261 4.556 0.021 0.000 0.343 774 H C -1.449 173.573 175.328 -0.511 0.000 1.086 774 H CA -0.470 55.429 56.048 -0.248 0.000 1.198 774 H CB 1.275 30.866 29.762 -0.286 0.000 1.490 774 H HN 0.444 nan 8.280 nan 0.000 0.504 775 F N 4.398 123.865 119.950 -0.805 0.000 2.425 775 F HA 0.224 4.763 4.527 0.021 0.000 0.331 775 F C 0.204 175.482 175.800 -0.869 0.000 1.085 775 F CA -0.526 57.106 58.000 -0.613 0.000 1.028 775 F CB 0.960 39.796 39.000 -0.275 0.000 1.177 775 F HN 0.590 nan 8.300 nan 0.000 0.487 776 F N 0.401 120.343 119.950 -0.013 0.000 2.619 776 F HA 0.230 4.769 4.527 0.021 0.000 0.293 776 F C 1.111 176.922 175.800 0.017 0.000 1.119 776 F CA 0.314 58.324 58.000 0.016 0.000 1.445 776 F CB -0.024 38.970 39.000 -0.010 0.000 1.119 776 F HN 0.159 nan 8.300 nan 0.000 0.573 777 R N 0.269 120.880 120.500 0.185 0.000 2.912 777 R HA 0.380 4.732 4.340 0.021 0.000 0.262 777 R C -0.252 176.039 176.300 -0.015 0.000 1.057 777 R CA -1.010 55.140 56.100 0.084 0.000 0.981 777 R CB 1.133 31.489 30.300 0.094 0.000 1.201 777 R HN -0.030 nan 8.270 nan 0.000 0.484 778 K N 0.249 120.597 120.400 -0.087 0.000 2.380 778 K HA 0.047 4.380 4.320 0.021 0.000 0.267 778 K C 1.009 177.457 176.600 -0.254 0.000 0.990 778 K CA 0.172 56.336 56.287 -0.206 0.000 0.946 778 K CB 0.480 32.853 32.500 -0.211 0.000 0.937 778 K HN 0.423 nan 8.250 nan 0.000 0.491 779 T N 2.033 116.322 114.554 -0.443 0.000 2.759 779 T HA -0.186 4.177 4.350 0.021 0.000 0.269 779 T C 1.602 176.125 174.700 -0.296 0.000 1.042 779 T CA 1.742 63.583 62.100 -0.431 0.000 1.140 779 T CB -0.095 68.413 68.868 -0.600 0.000 0.864 779 T HN 0.631 nan 8.240 nan 0.000 0.455 780 K N 0.953 121.146 120.400 -0.346 0.000 2.362 780 K HA -0.069 4.263 4.320 0.021 0.000 0.200 780 K C 1.198 177.698 176.600 -0.168 0.000 1.046 780 K CA 1.409 57.543 56.287 -0.255 0.000 0.952 780 K CB 0.034 32.391 32.500 -0.240 0.000 0.753 780 K HN 0.174 nan 8.250 nan 0.000 0.466 781 D N 0.926 121.253 120.400 -0.121 0.000 2.305 781 D HA 0.017 4.669 4.640 0.021 0.000 0.206 781 D C 0.185 176.498 176.300 0.023 0.000 0.974 781 D CA 0.165 54.136 54.000 -0.049 0.000 0.871 781 D CB 0.095 40.872 40.800 -0.038 0.000 0.947 781 D HN -0.036 nan 8.370 nan 0.000 0.516 782 L N 1.049 122.301 121.223 0.049 0.000 2.485 782 L HA 0.063 4.416 4.340 0.021 0.000 0.275 782 L C 1.012 178.020 176.870 0.230 0.000 1.207 782 L CA 0.034 54.993 54.840 0.198 0.000 0.855 782 L CB 0.055 42.226 42.059 0.188 0.000 1.114 782 L HN 0.080 nan 8.230 nan 0.000 0.485 783 Q N 1.926 121.923 119.800 0.328 0.000 2.681 783 Q HA 0.360 4.713 4.340 0.021 0.000 0.222 783 Q C -0.707 175.532 176.000 0.398 0.000 1.258 783 Q CA -0.155 55.811 55.803 0.272 0.000 1.014 783 Q CB 0.189 29.028 28.738 0.168 0.000 1.384 783 Q HN 0.599 nan 8.270 nan 0.000 0.570 784 L N 5.513 126.914 121.223 0.296 0.000 2.331 784 L HA 0.398 4.751 4.340 0.021 0.000 0.278 784 L C -1.805 175.178 176.870 0.188 0.000 1.106 784 L CA -1.812 53.157 54.840 0.214 0.000 0.824 784 L CB 0.351 42.481 42.059 0.119 0.000 1.142 784 L HN 0.449 nan 8.230 nan 0.000 0.443 785 P HA 0.223 nan 4.420 nan 0.000 0.276 785 P C -2.555 174.791 177.300 0.076 0.000 1.252 785 P CA -1.882 61.296 63.100 0.129 0.000 0.802 785 P CB 0.192 31.978 31.700 0.143 0.000 1.035 786 P HA 0.063 nan 4.420 nan 0.000 0.226 786 P C -0.241 177.083 177.300 0.040 0.000 1.783 786 P CA -0.049 63.081 63.100 0.049 0.000 0.980 786 P CB -0.917 30.803 31.700 0.034 0.000 1.967 787 T N 0.750 115.313 114.554 0.015 0.000 2.939 787 T HA 0.011 4.373 4.350 0.021 0.000 0.312 787 T C 0.601 175.287 174.700 -0.023 0.000 1.064 787 T CA 0.737 62.801 62.100 -0.060 0.000 1.136 787 T CB 0.043 68.774 68.868 -0.228 0.000 1.035 787 T HN 0.180 nan 8.240 nan 0.000 0.538 788 S N 3.089 118.770 115.700 -0.031 0.000 2.601 788 S HA 0.410 4.893 4.470 0.021 0.000 0.312 788 S C -0.269 174.324 174.600 -0.011 0.000 1.107 788 S CA -0.849 57.356 58.200 0.009 0.000 1.129 788 S CB 0.180 63.393 63.200 0.022 0.000 0.982 788 S HN 0.473 nan 8.310 nan 0.000 0.469 789 V N 5.681 125.593 119.914 -0.004 0.000 2.488 789 V HA 0.449 4.582 4.120 0.021 0.000 0.277 789 V C 0.543 176.688 176.094 0.084 0.000 1.046 789 V CA -0.137 62.161 62.300 -0.004 0.000 0.986 789 V CB 1.083 32.896 31.823 -0.017 0.000 0.989 789 V HN 0.966 nan 8.190 nan 0.000 0.475 790 S N 5.321 121.093 115.700 0.120 0.000 2.607 790 S HA 0.891 5.374 4.470 0.021 0.000 0.303 790 S C -1.010 173.725 174.600 0.224 0.000 1.086 790 S CA -0.740 57.543 58.200 0.139 0.000 0.995 790 S CB 1.979 65.237 63.200 0.097 0.000 1.084 790 S HN 0.847 nan 8.310 nan 0.000 0.507 791 Y N -2.150 118.173 120.300 0.039 0.000 2.479 791 Y HA 0.769 5.331 4.550 0.020 0.000 0.338 791 Y C -0.675 175.235 175.900 0.017 0.000 1.055 791 Y CA -1.170 56.951 58.100 0.035 0.000 1.023 791 Y CB 0.469 38.939 38.460 0.016 0.000 1.287 791 Y HN 0.895 nan 8.280 nan 0.000 0.447 792 Q N 4.349 124.191 119.800 0.068 0.000 2.222 792 Q HA 0.771 5.123 4.340 0.021 0.000 0.252 792 Q C -1.080 175.005 176.000 0.142 0.000 0.926 792 Q CA -0.535 55.273 55.803 0.009 0.000 0.899 792 Q CB 2.178 30.914 28.738 -0.004 0.000 1.250 792 Q HN 1.012 nan 8.270 nan 0.000 0.441 793 M N 1.571 121.226 119.600 0.091 0.000 2.259 793 M HA 0.591 5.083 4.480 0.021 0.000 0.304 793 M C -1.276 175.049 176.300 0.042 0.000 1.019 793 M CA -0.530 54.839 55.300 0.115 0.000 0.922 793 M CB 1.771 34.479 32.600 0.180 0.000 1.600 793 M HN 0.601 nan 8.290 nan 0.000 0.433 794 K N 4.356 124.772 120.400 0.028 0.000 2.521 794 K HA 0.310 4.643 4.320 0.021 0.000 0.248 794 K C -1.467 175.131 176.600 -0.002 0.000 0.978 794 K CA -0.331 55.960 56.287 0.007 0.000 0.947 794 K CB 1.469 33.970 32.500 0.002 0.000 1.165 794 K HN 0.875 nan 8.250 nan 0.000 0.445 795 Q N 2.980 122.777 119.800 -0.005 0.000 2.290 795 Q HA 0.248 4.600 4.340 0.021 0.000 0.259 795 Q C -0.936 175.054 176.000 -0.016 0.000 0.941 795 Q CA -0.243 55.552 55.803 -0.014 0.000 0.912 795 Q CB 1.835 30.566 28.738 -0.012 0.000 1.244 795 Q HN 0.582 nan 8.270 nan 0.000 0.441 796 T N 1.664 116.206 114.554 -0.021 0.000 2.676 796 T HA 0.275 4.637 4.350 0.021 0.000 0.269 796 T C -1.059 173.627 174.700 -0.022 0.000 0.952 796 T CA -0.696 61.392 62.100 -0.019 0.000 1.040 796 T CB 0.911 69.768 68.868 -0.017 0.000 1.352 796 T HN 0.617 nan 8.240 nan 0.000 0.554 797 D N 0.570 120.959 120.400 -0.018 0.000 2.401 797 D HA 0.374 5.026 4.640 0.021 0.000 0.254 797 D C 1.238 177.525 176.300 -0.023 0.000 1.192 797 D CA 1.623 55.612 54.000 -0.018 0.000 0.885 797 D CB 0.569 41.361 40.800 -0.013 0.000 1.147 797 D HN 0.946 nan 8.370 nan 0.000 0.478 798 G N 2.727 111.510 108.800 -0.027 0.000 2.168 798 G HA2 -0.315 3.657 3.960 0.021 0.000 0.263 798 G HA3 -0.315 3.657 3.960 0.021 0.000 0.263 798 G C 0.457 175.328 174.900 -0.047 0.000 0.977 798 G CA 0.851 45.931 45.100 -0.033 0.000 0.659 798 G HN 0.618 nan 8.290 nan 0.000 0.533 799 K N -1.048 119.322 120.400 -0.050 0.000 2.557 799 K HA 0.570 4.902 4.320 0.021 0.000 0.257 799 K C -1.284 175.280 176.600 -0.060 0.000 0.933 799 K CA -0.629 55.621 56.287 -0.062 0.000 0.820 799 K CB 1.204 33.675 32.500 -0.048 0.000 1.330 799 K HN 0.194 nan 8.250 nan 0.000 0.432 800 C N 2.888 122.140 119.300 -0.080 0.000 2.396 800 C HA 0.425 4.897 4.460 0.021 0.000 0.321 800 C C -0.933 174.021 174.990 -0.059 0.000 1.233 800 C CA -0.675 58.304 59.018 -0.065 0.000 1.440 800 C CB 1.053 28.744 27.740 -0.081 0.000 2.110 800 C HN 0.832 nan 8.230 nan 0.000 0.473 801 E N 2.587 122.771 120.200 -0.028 0.000 2.109 801 E HA 0.478 4.841 4.350 0.021 0.000 0.278 801 E C -0.822 175.787 176.600 0.015 0.000 0.954 801 E CA -0.097 56.295 56.400 -0.013 0.000 0.779 801 E CB 0.917 30.613 29.700 -0.007 0.000 1.093 801 E HN 0.508 nan 8.360 nan 0.000 0.401 802 L N 2.758 123.992 121.223 0.019 0.000 2.309 802 L HA 0.435 4.788 4.340 0.021 0.000 0.282 802 L C -0.214 176.703 176.870 0.079 0.000 1.036 802 L CA -0.381 54.498 54.840 0.065 0.000 0.806 802 L CB 1.831 43.892 42.059 0.003 0.000 1.220 802 L HN 0.541 nan 8.230 nan 0.000 0.429 803 T N 4.236 118.865 114.554 0.125 0.000 2.812 803 T HA 0.569 4.932 4.350 0.021 0.000 0.282 803 T C -0.430 174.377 174.700 0.180 0.000 0.990 803 T CA -0.409 61.760 62.100 0.115 0.000 0.960 803 T CB 1.481 70.397 68.868 0.080 0.000 0.948 803 T HN 0.152 nan 8.240 nan 0.000 0.438 804 L N 3.691 125.020 121.223 0.176 0.000 2.334 804 L HA 0.744 5.096 4.340 0.021 0.000 0.276 804 L C -0.805 176.215 176.870 0.249 0.000 1.014 804 L CA -0.611 54.354 54.840 0.209 0.000 0.815 804 L CB 1.304 43.462 42.059 0.164 0.000 1.268 804 L HN 0.602 nan 8.230 nan 0.000 0.428 805 F N 1.808 121.799 119.950 0.069 0.000 2.581 805 F HA 0.743 5.282 4.527 0.020 0.000 0.311 805 F C -0.659 175.158 175.800 0.027 0.000 1.113 805 F CA -0.309 57.716 58.000 0.041 0.000 0.935 805 F CB 2.058 41.076 39.000 0.030 0.000 1.232 805 F HN 0.485 nan 8.300 nan 0.000 0.445 806 S N 1.778 116.917 115.700 -0.935 0.000 2.540 806 S HA 0.394 4.877 4.470 0.021 0.000 0.275 806 S C -0.066 173.903 174.600 -1.050 0.000 1.123 806 S CA -0.043 57.716 58.200 -0.735 0.000 0.907 806 S CB 1.382 64.365 63.200 -0.363 0.000 1.081 806 S HN 0.789 nan 8.310 nan 0.000 0.476 807 S N 1.774 117.164 115.700 -0.516 0.000 2.496 807 S HA 0.269 4.752 4.470 0.021 0.000 0.224 807 S C 0.483 175.013 174.600 -0.116 0.000 0.996 807 S CA 0.060 58.121 58.200 -0.232 0.000 0.927 807 S CB -0.618 62.601 63.200 0.032 0.000 0.774 807 S HN 0.726 nan 8.310 nan 0.000 0.524 808 M N 1.018 120.545 119.600 -0.122 0.000 2.664 808 M HA 0.495 4.988 4.480 0.021 0.000 0.314 808 M C -0.808 175.443 176.300 -0.082 0.000 1.200 808 M CA -1.016 54.265 55.300 -0.031 0.000 0.916 808 M CB 1.953 34.556 32.600 0.005 0.000 1.717 808 M HN 0.126 nan 8.290 nan 0.000 0.470 809 L N 2.292 123.513 121.223 -0.003 0.000 2.559 809 L HA 0.354 4.706 4.340 0.021 0.000 0.282 809 L C -0.551 176.183 176.870 -0.227 0.000 1.232 809 L CA 0.652 55.431 54.840 -0.103 0.000 0.885 809 L CB 0.273 42.243 42.059 -0.148 0.000 1.131 809 L HN 0.762 nan 8.230 nan 0.000 0.498 810 A N 4.976 127.631 122.820 -0.275 0.000 2.311 810 A HA 0.572 4.904 4.320 0.021 0.000 0.306 810 A C -0.708 176.725 177.584 -0.251 0.000 1.189 810 A CA -0.815 50.978 52.037 -0.406 0.000 0.791 810 A CB 0.845 19.542 19.000 -0.505 0.000 1.172 810 A HN 0.624 nan 8.150 nan 0.000 0.481 811 K N 2.424 122.719 120.400 -0.174 0.000 2.258 811 K HA 0.327 4.660 4.320 0.021 0.000 0.284 811 K C -0.465 176.094 176.600 -0.069 0.000 1.051 811 K CA 0.121 56.310 56.287 -0.164 0.000 0.923 811 K CB 0.173 32.563 32.500 -0.184 0.000 1.046 811 K HN 0.667 nan 8.250 nan 0.000 0.474 812 D N 3.083 123.415 120.400 -0.112 0.000 2.735 812 D HA -0.229 4.424 4.640 0.021 0.000 0.235 812 D C -0.057 176.224 176.300 -0.031 0.000 1.175 812 D CA 1.062 55.031 54.000 -0.051 0.000 0.683 812 D CB -1.303 39.501 40.800 0.006 0.000 1.008 812 D HN 0.572 nan 8.370 nan 0.000 0.416 813 I N -2.492 117.907 120.570 -0.286 0.000 2.779 813 I HA 0.401 4.583 4.170 0.021 0.000 0.285 813 I C 0.136 175.960 176.117 -0.488 0.000 1.134 813 I CA -0.392 60.701 61.300 -0.344 0.000 1.398 813 I CB 0.451 38.169 38.000 -0.471 0.000 1.404 813 I HN -0.067 nan 8.210 nan 0.000 0.587 814 F N 6.591 126.117 119.950 -0.706 0.000 2.449 814 F HA 0.616 5.155 4.527 0.020 0.000 0.342 814 F C -0.674 174.683 175.800 -0.739 0.000 1.127 814 F CA -2.116 55.274 58.000 -1.016 0.000 0.975 814 F CB 0.943 39.438 39.000 -0.841 0.000 1.146 814 F HN 0.374 nan 8.300 nan 0.000 0.444 815 I N 5.811 125.964 120.570 -0.695 0.000 2.291 815 I HA 0.213 4.396 4.170 0.021 0.000 0.292 815 I C -0.081 175.575 176.117 -0.769 0.000 1.064 815 I CA -0.169 60.772 61.300 -0.599 0.000 1.269 815 I CB 0.661 38.519 38.000 -0.237 0.000 1.418 815 I HN 0.562 nan 8.210 nan 0.000 0.485 816 E N 6.336 125.950 120.200 -0.977 0.000 2.151 816 E HA 0.468 4.830 4.350 0.021 0.000 0.275 816 E C -0.868 175.504 176.600 -0.380 0.000 0.936 816 E CA -0.514 55.313 56.400 -0.956 0.000 0.777 816 E CB 1.326 30.278 29.700 -1.246 0.000 1.108 816 E HN 0.637 nan 8.360 nan 0.000 0.401 817 T N 1.363 115.819 114.554 -0.164 0.000 2.900 817 T HA 0.436 4.799 4.350 0.021 0.000 0.295 817 T C -2.363 172.314 174.700 -0.039 0.000 1.044 817 T CA -1.854 60.193 62.100 -0.088 0.000 0.995 817 T CB 1.728 70.553 68.868 -0.071 0.000 1.072 817 T HN 0.228 nan 8.240 nan 0.000 0.473 818 P HA 0.280 nan 4.420 nan 0.000 0.249 818 P C -0.122 177.167 177.300 -0.017 0.000 1.229 818 P CA -0.112 62.975 63.100 -0.023 0.000 0.788 818 P CB 0.014 31.700 31.700 -0.024 0.000 1.072 819 L N 0.570 121.782 121.223 -0.018 0.000 2.313 819 L HA 0.183 4.535 4.340 0.021 0.000 0.282 819 L C 0.823 177.694 176.870 0.001 0.000 1.092 819 L CA -0.684 54.145 54.840 -0.019 0.000 0.831 819 L CB 0.226 42.266 42.059 -0.031 0.000 1.159 819 L HN -0.101 nan 8.230 nan 0.000 0.442 820 Q N 2.395 122.184 119.800 -0.018 0.000 2.300 820 Q HA 0.088 4.440 4.340 0.021 0.000 0.280 820 Q C 1.180 177.208 176.000 0.046 0.000 1.033 820 Q CA 1.022 56.820 55.803 -0.008 0.000 0.903 820 Q CB 1.006 29.675 28.738 -0.114 0.000 1.195 820 Q HN 0.944 nan 8.270 nan 0.000 0.386 821 G N 1.691 110.552 108.800 0.101 0.000 2.162 821 G HA2 -0.318 3.655 3.960 0.021 0.000 0.260 821 G HA3 -0.318 3.655 3.960 0.021 0.000 0.260 821 G C 0.409 175.345 174.900 0.060 0.000 0.976 821 G CA 0.159 45.318 45.100 0.098 0.000 0.655 821 G HN 0.931 nan 8.290 nan 0.000 0.533 822 A N 0.189 123.038 122.820 0.049 0.000 2.565 822 A HA 0.529 4.862 4.320 0.021 0.000 0.237 822 A C 0.912 178.491 177.584 -0.009 0.000 1.053 822 A CA 0.710 52.729 52.037 -0.030 0.000 0.755 822 A CB 0.160 19.100 19.000 -0.099 0.000 0.980 822 A HN 0.603 nan 8.150 nan 0.000 0.506 823 R N 0.640 121.068 120.500 -0.121 0.000 2.598 823 R HA 0.583 4.935 4.340 0.021 0.000 0.279 823 R C -1.551 174.658 176.300 -0.153 0.000 0.984 823 R CA -0.275 55.752 56.100 -0.122 0.000 0.999 823 R CB 1.287 31.482 30.300 -0.176 0.000 1.114 823 R HN 0.759 nan 8.270 nan 0.000 0.493 824 Y N -0.679 119.518 120.300 -0.172 0.000 2.442 824 Y HA 0.055 4.618 4.550 0.021 0.000 0.344 824 Y C 1.347 177.217 175.900 -0.050 0.000 0.976 824 Y CA -0.696 57.370 58.100 -0.056 0.000 1.040 824 Y CB 2.369 40.861 38.460 0.052 0.000 1.228 824 Y HN 0.745 nan 8.280 nan 0.000 0.451 825 S N -0.071 115.693 115.700 0.108 0.000 2.400 825 S HA -0.114 4.368 4.470 0.021 0.000 0.232 825 S C 0.140 174.831 174.600 0.151 0.000 1.025 825 S CA 1.649 59.895 58.200 0.075 0.000 0.993 825 S CB 0.043 63.258 63.200 0.025 0.000 0.808 825 S HN 0.747 nan 8.310 nan 0.000 0.478 826 D N -0.773 119.748 120.400 0.201 0.000 2.683 826 D HA 0.591 5.244 4.640 0.021 0.000 0.246 826 D C -1.738 174.606 176.300 0.074 0.000 1.238 826 D CA -0.469 53.631 54.000 0.167 0.000 0.759 826 D CB 1.699 42.483 40.800 -0.026 0.000 1.349 826 D HN 0.097 nan 8.370 nan 0.000 0.426 827 N N 0.391 118.913 118.700 -0.297 0.000 3.127 827 N HA 0.360 5.113 4.740 0.021 0.000 0.239 827 N C -1.180 174.042 175.510 -0.480 0.000 1.407 827 N CA -0.492 52.204 53.050 -0.591 0.000 0.891 827 N CB 0.685 38.485 38.487 -1.145 0.000 1.447 827 N HN 0.435 nan 8.380 nan 0.000 0.507 828 F N -0.127 119.487 119.950 -0.560 0.000 2.969 828 F HA -0.219 4.321 4.527 0.020 0.000 0.273 828 F C -0.412 175.244 175.800 -0.241 0.000 0.986 828 F CA 0.768 58.540 58.000 -0.379 0.000 0.926 828 F CB -1.790 37.043 39.000 -0.279 0.000 0.887 828 F HN 0.335 nan 8.300 nan 0.000 0.816 829 F N -2.201 117.715 119.950 -0.056 0.000 2.618 829 F HA 0.759 5.298 4.527 0.020 0.000 0.332 829 F C 0.032 175.789 175.800 -0.073 0.000 1.061 829 F CA -1.958 56.009 58.000 -0.055 0.000 0.974 829 F CB 0.722 39.680 39.000 -0.069 0.000 1.310 829 F HN -0.193 nan 8.300 nan 0.000 0.491 830 D N 2.212 122.707 120.400 0.159 0.000 2.312 830 D HA 0.212 4.865 4.640 0.021 0.000 0.252 830 D C -0.684 175.705 176.300 0.148 0.000 1.150 830 D CA -0.056 53.965 54.000 0.037 0.000 0.870 830 D CB 2.069 42.866 40.800 -0.005 0.000 1.153 830 D HN 0.449 nan 8.370 nan 0.000 0.457 831 L N 4.304 125.560 121.223 0.055 0.000 2.342 831 L HA 0.183 4.536 4.340 0.021 0.000 0.285 831 L C -0.422 176.407 176.870 -0.068 0.000 1.095 831 L CA -0.190 54.690 54.840 0.066 0.000 0.843 831 L CB 0.033 42.094 42.059 0.004 0.000 1.201 831 L HN 0.223 nan 8.230 nan 0.000 0.445 832 L N 7.058 128.240 121.223 -0.067 0.000 2.452 832 L HA 0.334 4.687 4.340 0.021 0.000 0.267 832 L C -1.762 175.087 176.870 -0.035 0.000 1.188 832 L CA -1.938 52.855 54.840 -0.078 0.000 0.821 832 L CB 0.059 42.081 42.059 -0.062 0.000 1.102 832 L HN 0.499 nan 8.230 nan 0.000 0.470 833 P HA -0.030 nan 4.420 nan 0.000 0.262 833 P C 0.746 178.043 177.300 -0.004 0.000 1.199 833 P CA 0.763 63.867 63.100 0.007 0.000 0.763 833 P CB 0.682 32.469 31.700 0.144 0.000 0.790 834 G N 2.813 111.513 108.800 -0.167 0.000 2.162 834 G HA2 -0.260 3.713 3.960 0.021 0.000 0.260 834 G HA3 -0.260 3.713 3.960 0.021 0.000 0.260 834 G C -0.017 175.059 174.900 0.293 0.000 0.976 834 G CA -0.120 45.064 45.100 0.140 0.000 0.655 834 G HN 0.603 nan 8.290 nan 0.000 0.533 835 E N 0.943 121.210 120.200 0.112 0.000 2.173 835 E HA 0.379 4.742 4.350 0.021 0.000 0.249 835 E C 0.506 177.203 176.600 0.162 0.000 0.923 835 E CA -0.711 55.777 56.400 0.147 0.000 0.754 835 E CB 0.980 30.730 29.700 0.082 0.000 1.177 835 E HN 0.206 nan 8.360 nan 0.000 0.430 836 R N 2.098 122.783 120.500 0.308 0.000 2.697 836 R HA 0.006 4.359 4.340 0.021 0.000 0.265 836 R C -0.253 176.113 176.300 0.109 0.000 1.009 836 R CA 0.371 56.636 56.100 0.275 0.000 1.099 836 R CB 0.307 30.735 30.300 0.214 0.000 0.965 836 R HN 0.415 nan 8.270 nan 0.000 0.428 837 K N 1.753 122.202 120.400 0.081 0.000 2.601 837 K HA 0.333 4.665 4.320 0.021 0.000 0.249 837 K C -1.257 175.342 176.600 -0.002 0.000 0.966 837 K CA -0.467 55.810 56.287 -0.018 0.000 0.827 837 K CB 1.372 33.834 32.500 -0.063 0.000 1.178 837 K HN 0.521 nan 8.250 nan 0.000 0.437 838 K N 3.218 123.599 120.400 -0.033 0.000 2.227 838 K HA 0.453 4.785 4.320 0.021 0.000 0.280 838 K C -1.186 175.395 176.600 -0.031 0.000 1.041 838 K CA -0.668 55.612 56.287 -0.012 0.000 0.905 838 K CB 1.038 33.530 32.500 -0.013 0.000 1.068 838 K HN 0.387 nan 8.250 nan 0.000 0.470 839 V N 6.282 126.200 119.914 0.007 0.000 2.540 839 V HA 0.403 4.535 4.120 0.021 0.000 0.302 839 V C -0.296 175.798 176.094 0.000 0.000 1.035 839 V CA -0.883 61.432 62.300 0.024 0.000 0.873 839 V CB 1.632 33.519 31.823 0.107 0.000 0.992 839 V HN 0.691 nan 8.190 nan 0.000 0.428 840 I N 5.460 126.022 120.570 -0.015 0.000 2.353 840 I HA 0.479 4.662 4.170 0.021 0.000 0.293 840 I C -0.453 175.589 176.117 -0.125 0.000 0.992 840 I CA -0.104 61.163 61.300 -0.056 0.000 1.268 840 I CB 1.448 39.421 38.000 -0.044 0.000 1.387 840 I HN 0.428 nan 8.210 nan 0.000 0.478 841 I N 5.339 125.791 120.570 -0.197 0.000 2.436 841 I HA 0.376 4.558 4.170 0.021 0.000 0.289 841 I C -0.074 175.903 176.117 -0.233 0.000 1.010 841 I CA -0.357 60.729 61.300 -0.357 0.000 1.098 841 I CB 2.023 39.727 38.000 -0.495 0.000 1.266 841 I HN 0.559 nan 8.210 nan 0.000 0.434 842 T N 1.610 116.035 114.554 -0.215 0.000 2.912 842 T HA 0.800 5.163 4.350 0.021 0.000 0.288 842 T C -0.503 174.122 174.700 -0.124 0.000 1.030 842 T CA -0.849 61.169 62.100 -0.136 0.000 1.020 842 T CB 1.986 70.797 68.868 -0.094 0.000 1.056 842 T HN 0.570 nan 8.240 nan 0.000 0.480 843 S N 1.709 117.359 115.700 -0.084 0.000 2.604 843 S HA 0.434 4.916 4.470 0.021 0.000 0.296 843 S C -2.546 172.030 174.600 -0.040 0.000 1.097 843 S CA -0.929 57.235 58.200 -0.059 0.000 0.883 843 S CB 1.489 64.648 63.200 -0.068 0.000 1.081 843 S HN 0.509 nan 8.310 nan 0.000 0.448 844 P HA -0.004 nan 4.420 nan 0.000 0.223 844 P C 0.827 178.119 177.300 -0.013 0.000 1.144 844 P CA 0.798 63.890 63.100 -0.013 0.000 0.783 844 P CB -0.038 31.661 31.700 -0.001 0.000 0.771 845 R N -0.886 119.604 120.500 -0.017 0.000 2.276 845 R HA 0.188 4.540 4.340 0.021 0.000 0.196 845 R C 0.951 177.237 176.300 -0.024 0.000 0.961 845 R CA -0.075 56.015 56.100 -0.016 0.000 1.024 845 R CB -0.278 30.014 30.300 -0.014 0.000 0.940 845 R HN 0.237 nan 8.270 nan 0.000 0.480 846 I N 2.723 123.272 120.570 -0.034 0.000 2.581 846 I HA 0.005 4.188 4.170 0.021 0.000 0.285 846 I C 0.493 176.593 176.117 -0.028 0.000 1.129 846 I CA 0.474 61.751 61.300 -0.038 0.000 1.397 846 I CB 0.458 38.425 38.000 -0.055 0.000 1.399 846 I HN 0.109 nan 8.210 nan 0.000 0.537 847 K N 5.069 125.456 120.400 -0.023 0.000 2.292 847 K HA 0.680 5.012 4.320 0.021 0.000 0.257 847 K C 0.136 176.726 176.600 -0.016 0.000 0.940 847 K CA -0.736 55.541 56.287 -0.017 0.000 0.811 847 K CB 1.040 33.532 32.500 -0.012 0.000 1.120 847 K HN 0.630 nan 8.250 nan 0.000 0.428 848 K N 0.240 120.631 120.400 -0.015 0.000 2.477 848 K HA 0.401 4.733 4.320 0.021 0.000 0.275 848 K C 1.434 178.027 176.600 -0.011 0.000 1.054 848 K CA 0.965 57.244 56.287 -0.013 0.000 1.135 848 K CB -1.159 31.334 32.500 -0.011 0.000 0.854 848 K HN 2.451 nan 8.250 nan 0.000 0.484 849 G N 0.522 109.315 108.800 -0.011 0.000 2.175 849 G HA2 -0.226 3.746 3.960 0.021 0.000 0.244 849 G HA3 -0.226 3.746 3.960 0.021 0.000 0.244 849 G C 0.037 174.931 174.900 -0.009 0.000 0.982 849 G CA 0.421 45.515 45.100 -0.009 0.000 0.641 849 G HN 1.285 nan 8.290 nan 0.000 0.527 850 E N 0.696 120.890 120.200 -0.010 0.000 2.255 850 E HA 0.462 4.825 4.350 0.021 0.000 0.245 850 E C -0.057 176.536 176.600 -0.012 0.000 0.909 850 E CA -0.643 55.751 56.400 -0.010 0.000 0.747 850 E CB 0.473 30.167 29.700 -0.010 0.000 1.215 850 E HN 0.392 nan 8.360 nan 0.000 0.424 851 E N 4.197 124.392 120.200 -0.009 0.000 2.376 851 E HA 0.035 4.397 4.350 0.021 0.000 0.266 851 E C -0.660 175.934 176.600 -0.009 0.000 1.009 851 E CA -0.499 55.898 56.400 -0.006 0.000 0.902 851 E CB 0.627 30.328 29.700 0.001 0.000 0.972 851 E HN 0.502 nan 8.360 nan 0.000 0.439 852 L N 7.539 128.754 121.223 -0.014 0.000 2.433 852 L HA 0.287 4.639 4.340 0.021 0.000 0.275 852 L C -2.308 174.546 176.870 -0.025 0.000 1.128 852 L CA -1.517 53.305 54.840 -0.030 0.000 0.875 852 L CB 0.485 42.512 42.059 -0.053 0.000 1.171 852 L HN 0.523 nan 8.230 nan 0.000 0.463 853 P HA 0.137 nan 4.420 nan 0.000 0.267 853 P C -1.277 175.981 177.300 -0.071 0.000 1.205 853 P CA 0.008 63.088 63.100 -0.034 0.000 0.765 853 P CB 0.820 32.497 31.700 -0.037 0.000 0.828 854 V N 3.496 123.365 119.914 -0.075 0.000 2.638 854 V HA 0.479 4.611 4.120 0.021 0.000 0.306 854 V C -0.313 175.673 176.094 -0.181 0.000 1.052 854 V CA -0.509 61.686 62.300 -0.175 0.000 0.885 854 V CB 2.021 33.678 31.823 -0.276 0.000 0.999 854 V HN 0.518 nan 8.190 nan 0.000 0.424 855 N N 4.226 122.765 118.700 -0.268 0.000 2.410 855 N HA 0.563 5.315 4.740 0.021 0.000 0.287 855 N C -1.291 173.989 175.510 -0.384 0.000 1.044 855 N CA -0.413 52.479 53.050 -0.263 0.000 0.881 855 N CB 1.360 39.706 38.487 -0.234 0.000 1.405 855 N HN 0.620 nan 8.380 nan 0.000 0.490 856 I N 2.525 122.907 120.570 -0.314 0.000 2.359 856 I HA 0.363 4.546 4.170 0.021 0.000 0.294 856 I C 0.174 176.090 176.117 -0.335 0.000 0.987 856 I CA -0.625 60.467 61.300 -0.345 0.000 1.225 856 I CB 1.300 39.157 38.000 -0.239 0.000 1.366 856 I HN 0.310 nan 8.210 nan 0.000 0.466 857 K N 4.857 124.986 120.400 -0.453 0.000 2.375 857 K HA 0.664 4.996 4.320 0.021 0.000 0.249 857 K C -1.269 175.032 176.600 -0.498 0.000 0.942 857 K CA -0.910 55.023 56.287 -0.590 0.000 0.806 857 K CB 2.363 34.302 32.500 -0.936 0.000 1.227 857 K HN 0.708 nan 8.250 nan 0.000 0.430 858 H N -1.287 117.562 119.070 -0.369 0.000 3.017 858 H HA 0.329 4.898 4.556 0.021 0.000 0.346 858 H C 0.515 175.874 175.328 0.052 0.000 1.286 858 H CA -0.984 54.988 56.048 -0.126 0.000 1.120 858 H CB 0.449 30.125 29.762 -0.142 0.000 1.860 858 H HN 0.296 nan 8.280 nan 0.000 0.542 859 I N -0.067 120.665 120.570 0.270 0.000 2.194 859 I HA -0.202 3.980 4.170 0.021 0.000 0.246 859 I C 2.365 178.541 176.117 0.099 0.000 1.093 859 I CA 1.463 62.910 61.300 0.244 0.000 1.355 859 I CB -0.773 37.359 38.000 0.220 0.000 1.046 859 I HN 0.682 nan 8.210 nan 0.000 0.413 860 R N 1.751 122.279 120.500 0.048 0.000 2.193 860 R HA -0.151 4.202 4.340 0.021 0.000 0.229 860 R C 1.859 177.881 176.300 -0.464 0.000 1.110 860 R CA 1.249 57.230 56.100 -0.198 0.000 0.988 860 R CB -0.507 29.805 30.300 0.021 0.000 0.871 860 R HN 0.466 nan 8.270 nan 0.000 0.458 861 E N -1.006 118.946 120.200 -0.413 0.000 2.427 861 E HA -0.065 4.297 4.350 0.021 0.000 0.196 861 E C 0.866 177.295 176.600 -0.285 0.000 1.028 861 E CA 1.311 57.474 56.400 -0.395 0.000 0.864 861 E CB 0.144 29.553 29.700 -0.486 0.000 0.813 861 E HN 0.530 nan 8.360 nan 0.000 0.514 862 T N -1.631 112.787 114.554 -0.228 0.000 3.107 862 T HA 0.029 4.392 4.350 0.021 0.000 0.249 862 T C 0.141 174.895 174.700 0.091 0.000 1.096 862 T CA -0.235 61.864 62.100 -0.001 0.000 1.012 862 T CB -0.297 68.672 68.868 0.169 0.000 0.977 862 T HN 0.231 nan 8.240 nan 0.000 0.527 863 Y N -1.343 118.968 120.300 0.018 0.000 2.670 863 Y HA 0.703 5.265 4.550 0.021 0.000 0.334 863 Y C -0.999 174.912 175.900 0.019 0.000 1.185 863 Y CA -2.074 56.040 58.100 0.024 0.000 1.053 863 Y CB 1.280 39.759 38.460 0.032 0.000 1.298 863 Y HN -0.034 nan 8.280 nan 0.000 0.459 864 K N 2.816 123.362 120.400 0.244 0.000 2.367 864 K HA 0.542 4.874 4.320 0.021 0.000 0.263 864 K C -1.669 175.075 176.600 0.240 0.000 1.000 864 K CA -0.462 55.923 56.287 0.163 0.000 0.891 864 K CB 0.832 33.386 32.500 0.090 0.000 1.117 864 K HN 0.865 nan 8.250 nan 0.000 0.443 865 L N 3.269 124.642 121.223 0.251 0.000 2.380 865 L HA 0.232 4.584 4.340 0.021 0.000 0.273 865 L C 0.475 177.405 176.870 0.100 0.000 1.138 865 L CA -0.284 54.666 54.840 0.184 0.000 0.832 865 L CB 1.148 43.322 42.059 0.192 0.000 1.124 865 L HN 0.754 nan 8.230 nan 0.000 0.454 866 E N 0.000 120.241 120.200 0.068 0.000 2.725 866 E HA 0.000 4.362 4.350 0.021 0.000 0.291 866 E CA 0.000 56.428 56.400 0.046 0.000 0.976 866 E CB 0.000 29.721 29.700 0.034 0.000 0.812 866 E HN 0.000 nan 8.360 nan 0.000 0.440