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 1pj5_1_A DATA FIRST_RESID 4 DATA SEQUENCE TPRIVIIGAG IVGTNLADEL VTRGWNNITV LDQGPLNMPG GSTSHAPGLV DATA SEQUENCE FQTNPSKTMA SFAKYTVEKL LSLTEDGVSC FNQVGGLEVA TTETRLADLK DATA SEQUENCE RKLGYAAAWG IEGRLLSPAE CQELYPLLDG ENILGGLHVP SDGLASAARA DATA SEQUENCE VQLLIKRTES AGVTYRGSTT VTGIEQSGGR VTGVQTADGV IPADIVVSCA DATA SEQUENCE GFWGAKIGAM IGMAVPLLPL AHQYVKTTPV PAQQGRNDQP NGARLPILRH DATA SEQUENCE QDQDLYYREH GDRYGIGSYA HRPMPVDVDT LGAYAPETVS EHHMPSRLDF DATA SEQUENCE TLEDFLPAWE ATKQLLPALA DSEIEDGFNG IFSFTPDGGP LLGESKELDG DATA SEQUENCE FYVAEAVWVT HSAGVAKAMA ELLTTGRSET DLGECDITRF EDVQLTPEYV DATA SEQUENCE SETSQQNFVE IYDVLHPLQP RLSPRNLRVS PFHARHKELG AFFLEAGGWE DATA SEQUENCE RPYWFEANAA LLKEMPAEWL PPARDAWSGM FSSPIAAAEA WKTRTAVAMY DATA SEQUENCE DMTPLKRLEV SGPGALKLLQ ELTTADLAKK PGAVTYTLLL DHAGGVRSDI DATA SEQUENCE TVARLSEDTF QLGANGNIDT AYFERAARHQ TQSGSATDWV QVRDTTGGTC DATA SEQUENCE CIGLWGPLAR DLVSKVSDDD FTNDGLKYFR AKNVVIGGIP VTAMRLSYVG DATA SEQUENCE ELGWELYTSA DNGQRLWDAL WQAGQPFGVI AAGRAAFSSL RLEKGYRSWG DATA SEQUENCE TDMTTEHDPF EAGLGFAVKM AKESFIGKGA LEGRTEEASA RRLRCLTIDD DATA SEQUENCE GRSIVLGKEP VFYKEQAVGY VTSAAYGYTV AKPIAYSYLP GTVSVGDSVD DATA SEQUENCE IEYFGRRITA TVTEDPLYDP KMTRLRG 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.356 174.700 -0.574 0.000 1.109 4 T CA 0.000 61.673 62.100 -0.712 0.000 1.349 4 T CB 0.000 68.146 68.868 -1.203 0.000 0.612 5 P HA 0.334 nan 4.420 nan 0.000 0.268 5 P C -0.523 176.650 177.300 -0.212 0.000 1.208 5 P CA -0.369 62.526 63.100 -0.341 0.000 0.777 5 P CB 0.286 31.834 31.700 -0.254 0.000 0.875 6 R N 2.145 122.577 120.500 -0.113 0.000 2.267 6 R HA 0.405 4.745 4.340 -0.000 0.000 0.319 6 R C -0.072 176.215 176.300 -0.023 0.000 1.067 6 R CA -0.143 55.917 56.100 -0.066 0.000 0.936 6 R CB 0.014 30.284 30.300 -0.050 0.000 1.006 6 R HN 0.457 nan 8.270 nan 0.000 0.452 7 I N 2.843 123.405 120.570 -0.013 0.000 2.474 7 I HA 0.319 4.489 4.170 -0.000 0.000 0.294 7 I C -0.457 175.642 176.117 -0.029 0.000 1.005 7 I CA -1.112 60.191 61.300 0.004 0.000 1.113 7 I CB 2.150 40.172 38.000 0.036 0.000 1.289 7 I HN 0.219 nan 8.210 nan 0.000 0.436 8 V N 6.970 126.865 119.914 -0.032 0.000 2.448 8 V HA 0.463 4.583 4.120 -0.000 0.000 0.295 8 V C -0.072 175.977 176.094 -0.075 0.000 1.025 8 V CA -0.499 61.768 62.300 -0.054 0.000 0.859 8 V CB 1.905 33.708 31.823 -0.032 0.000 0.988 8 V HN 0.468 nan 8.190 nan 0.000 0.431 9 I N 5.500 126.012 120.570 -0.096 0.000 2.354 9 I HA 0.457 4.627 4.170 -0.000 0.000 0.292 9 I C -0.410 175.654 176.117 -0.089 0.000 0.989 9 I CA -0.425 60.815 61.300 -0.100 0.000 1.188 9 I CB 1.734 39.672 38.000 -0.103 0.000 1.342 9 I HN 0.445 nan 8.210 nan 0.000 0.457 10 I N 5.941 126.464 120.570 -0.079 0.000 2.297 10 I HA 0.540 4.710 4.170 -0.000 0.000 0.291 10 I C 0.450 176.526 176.117 -0.069 0.000 1.033 10 I CA -0.174 61.086 61.300 -0.067 0.000 1.253 10 I CB 0.902 38.878 38.000 -0.039 0.000 1.396 10 I HN 0.815 nan 8.210 nan 0.000 0.476 11 G N 4.490 113.242 108.800 -0.079 0.000 3.326 11 G HA2 0.159 4.119 3.960 -0.000 0.000 0.681 11 G HA3 0.159 4.119 3.960 -0.000 0.000 0.681 11 G C -0.479 174.404 174.900 -0.029 0.000 1.255 11 G CA -0.379 44.674 45.100 -0.077 0.000 0.976 11 G HN 0.863 nan 8.290 nan 0.000 0.563 12 A N 1.639 124.450 122.820 -0.015 0.000 2.965 12 A HA 0.788 5.108 4.320 -0.000 0.000 0.304 12 A C 1.311 178.901 177.584 0.010 0.000 1.214 12 A CA 1.018 53.083 52.037 0.045 0.000 0.977 12 A CB -0.202 18.859 19.000 0.101 0.000 1.127 12 A HN 2.056 nan 8.150 nan 0.000 0.572 13 G N -0.615 108.184 108.800 -0.001 0.000 2.508 13 G HA2 0.372 4.332 3.960 -0.000 0.000 0.278 13 G HA3 0.372 4.332 3.960 -0.000 0.000 0.278 13 G C 0.925 175.830 174.900 0.008 0.000 1.389 13 G CA -0.180 44.920 45.100 -0.000 0.000 1.050 13 G HN 0.281 nan 8.290 nan 0.000 0.522 14 I N -0.629 119.944 120.570 0.005 0.000 2.361 14 I HA -0.130 4.039 4.170 -0.000 0.000 0.251 14 I C 2.580 178.705 176.117 0.014 0.000 1.133 14 I CA 1.050 62.354 61.300 0.007 0.000 1.413 14 I CB 0.007 38.008 38.000 0.003 0.000 1.073 14 I HN 0.138 nan 8.210 nan 0.000 0.424 15 V N 0.458 120.385 119.914 0.022 0.000 2.283 15 V HA -0.122 3.998 4.120 -0.000 0.000 0.243 15 V C 2.540 178.635 176.094 0.002 0.000 1.039 15 V CA 1.907 64.215 62.300 0.013 0.000 1.016 15 V CB -1.607 30.232 31.823 0.027 0.000 0.650 15 V HN 0.521 nan 8.190 nan 0.000 0.449 16 G N 0.251 109.056 108.800 0.008 0.000 2.422 16 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 16 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 16 G C 1.778 176.694 174.900 0.027 0.000 1.146 16 G CA 1.702 46.803 45.100 0.001 0.000 0.769 16 G HN 0.573 nan 8.290 nan 0.000 0.547 17 T N -1.193 113.395 114.554 0.056 0.000 2.857 17 T HA -0.052 4.298 4.350 -0.000 0.000 0.266 17 T C 2.094 176.828 174.700 0.056 0.000 1.048 17 T CA 1.154 63.312 62.100 0.096 0.000 1.139 17 T CB -0.276 68.640 68.868 0.081 0.000 0.874 17 T HN 0.163 nan 8.240 nan 0.000 0.455 18 N N 1.111 119.826 118.700 0.024 0.000 2.188 18 N HA -0.011 4.728 4.740 -0.000 0.000 0.184 18 N C 1.818 177.329 175.510 0.001 0.000 1.018 18 N CA 0.998 54.057 53.050 0.014 0.000 0.858 18 N CB -0.338 38.154 38.487 0.008 0.000 0.989 18 N HN 0.284 nan 8.380 nan 0.000 0.426 19 L N 1.510 122.722 121.223 -0.018 0.000 2.017 19 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 19 L C 2.215 179.062 176.870 -0.038 0.000 1.073 19 L CA 1.574 56.383 54.840 -0.050 0.000 0.745 19 L CB -0.974 41.044 42.059 -0.070 0.000 0.894 19 L HN 0.063 nan 8.230 nan 0.000 0.432 20 A N -0.759 122.054 122.820 -0.011 0.000 1.908 20 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 20 A C 2.095 179.692 177.584 0.022 0.000 1.181 20 A CA 2.012 54.048 52.037 -0.000 0.000 0.627 20 A CB -1.082 17.927 19.000 0.015 0.000 0.818 20 A HN 0.612 nan 8.150 nan 0.000 0.445 21 D N -0.732 119.689 120.400 0.035 0.000 2.117 21 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 21 D C 1.881 178.189 176.300 0.014 0.000 0.987 21 D CA 1.427 55.447 54.000 0.035 0.000 0.829 21 D CB -0.055 40.766 40.800 0.035 0.000 0.961 21 D HN 0.396 nan 8.370 nan 0.000 0.460 22 E N -0.101 120.096 120.200 -0.005 0.000 2.150 22 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 22 E C 2.387 178.943 176.600 -0.074 0.000 0.985 22 E CA 0.366 56.746 56.400 -0.033 0.000 0.814 22 E CB -0.116 29.551 29.700 -0.055 0.000 0.752 22 E HN 0.456 nan 8.360 nan 0.000 0.466 23 L N 0.179 121.359 121.223 -0.071 0.000 2.072 23 L HA -0.129 4.211 4.340 -0.000 0.000 0.205 23 L C 2.538 179.418 176.870 0.017 0.000 1.079 23 L CA 0.595 55.390 54.840 -0.075 0.000 0.752 23 L CB -0.418 41.624 42.059 -0.027 0.000 0.906 23 L HN -0.034 nan 8.230 nan 0.000 0.436 24 V N -0.512 119.424 119.914 0.037 0.000 2.343 24 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 24 V C 2.511 178.633 176.094 0.047 0.000 1.051 24 V CA 2.358 64.694 62.300 0.059 0.000 1.036 24 V CB -0.679 31.175 31.823 0.051 0.000 0.654 24 V HN 0.470 nan 8.190 nan 0.000 0.451 25 T N -0.625 113.941 114.554 0.021 0.000 2.929 25 T HA -0.154 4.196 4.350 -0.000 0.000 0.271 25 T C 1.695 176.399 174.700 0.006 0.000 1.085 25 T CA 1.128 63.237 62.100 0.014 0.000 1.125 25 T CB -0.243 68.630 68.868 0.009 0.000 0.874 25 T HN 0.419 nan 8.240 nan 0.000 0.494 26 R N -0.028 120.465 120.500 -0.012 0.000 2.388 26 R HA 0.310 4.650 4.340 -0.000 0.000 0.247 26 R C 1.522 177.879 176.300 0.095 0.000 0.931 26 R CA 0.290 56.371 56.100 -0.031 0.000 1.082 26 R CB 0.351 30.545 30.300 -0.178 0.000 1.135 26 R HN 0.361 nan 8.270 nan 0.000 0.525 27 G N 0.128 109.011 108.800 0.138 0.000 2.148 27 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.254 27 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.254 27 G C -0.662 174.429 174.900 0.318 0.000 0.981 27 G CA -0.168 45.050 45.100 0.197 0.000 0.670 27 G HN 0.241 nan 8.290 nan 0.000 0.528 28 W N 1.562 122.842 121.300 -0.034 0.000 2.283 28 W HA 0.589 5.249 4.660 -0.000 0.000 0.317 28 W C 0.906 177.400 176.519 -0.041 0.000 1.042 28 W CA -0.860 56.460 57.345 -0.041 0.000 1.348 28 W CB -0.078 29.350 29.460 -0.053 0.000 1.216 28 W HN 0.360 nan 8.180 nan 0.000 0.404 29 N N 0.711 119.474 118.700 0.106 0.000 2.194 29 N HA 0.008 4.748 4.740 -0.000 0.000 0.231 29 N C -0.279 175.232 175.510 0.003 0.000 1.247 29 N CA -0.375 52.707 53.050 0.052 0.000 0.884 29 N CB 0.177 38.688 38.487 0.040 0.000 1.146 29 N HN 0.048 nan 8.380 nan 0.000 0.516 30 N N 1.780 120.466 118.700 -0.022 0.000 3.303 30 N HA 0.260 4.999 4.740 -0.000 0.000 0.304 30 N C -0.965 174.520 175.510 -0.042 0.000 1.302 30 N CA 0.249 53.269 53.050 -0.051 0.000 1.213 30 N CB 0.326 38.755 38.487 -0.096 0.000 1.481 30 N HN 0.440 nan 8.380 nan 0.000 0.546 31 I N -0.061 120.480 120.570 -0.048 0.000 2.545 31 I HA 0.253 4.423 4.170 -0.000 0.000 0.292 31 I C -0.047 175.991 176.117 -0.132 0.000 1.040 31 I CA -0.556 60.699 61.300 -0.074 0.000 1.068 31 I CB 2.203 40.162 38.000 -0.069 0.000 1.251 31 I HN -0.121 nan 8.210 nan 0.000 0.424 32 T N 5.155 119.624 114.554 -0.142 0.000 2.792 32 T HA 0.482 4.831 4.350 -0.000 0.000 0.280 32 T C -0.360 174.200 174.700 -0.235 0.000 0.990 32 T CA -0.458 61.531 62.100 -0.185 0.000 0.960 32 T CB 1.702 70.504 68.868 -0.110 0.000 0.939 32 T HN 0.169 nan 8.240 nan 0.000 0.439 33 V N 5.324 125.005 119.914 -0.388 0.000 2.398 33 V HA 0.500 4.620 4.120 -0.000 0.000 0.286 33 V C -0.214 175.780 176.094 -0.167 0.000 1.026 33 V CA -0.811 61.294 62.300 -0.325 0.000 0.868 33 V CB 1.213 32.701 31.823 -0.559 0.000 0.982 33 V HN 0.709 nan 8.190 nan 0.000 0.443 34 L N 4.337 125.504 121.223 -0.093 0.000 2.329 34 L HA 0.719 5.058 4.340 -0.000 0.000 0.279 34 L C -0.537 176.299 176.870 -0.056 0.000 1.014 34 L CA -0.324 54.482 54.840 -0.057 0.000 0.814 34 L CB 1.875 43.899 42.059 -0.059 0.000 1.257 34 L HN 0.584 nan 8.230 nan 0.000 0.424 35 D N 1.037 121.408 120.400 -0.049 0.000 2.934 35 D HA 0.098 4.738 4.640 -0.000 0.000 0.230 35 D C 0.155 176.391 176.300 -0.106 0.000 1.204 35 D CA -0.349 53.592 54.000 -0.098 0.000 0.873 35 D CB 2.441 43.198 40.800 -0.071 0.000 1.645 35 D HN 0.712 nan 8.370 nan 0.000 0.502 36 Q N 1.660 121.356 119.800 -0.174 0.000 2.291 36 Q HA 0.085 4.424 4.340 -0.000 0.000 0.205 36 Q C 0.787 176.729 176.000 -0.097 0.000 0.970 36 Q CA 0.396 56.113 55.803 -0.143 0.000 0.876 36 Q CB 0.160 28.775 28.738 -0.206 0.000 0.935 36 Q HN 0.287 nan 8.270 nan 0.000 0.455 37 G N 2.260 110.990 108.800 -0.115 0.000 2.522 37 G HA2 0.421 4.380 3.960 -0.000 0.000 0.304 37 G HA3 0.421 4.380 3.960 -0.000 0.000 0.304 37 G C -2.607 172.273 174.900 -0.032 0.000 1.210 37 G CA -1.560 43.502 45.100 -0.062 0.000 0.960 37 G HN 0.097 nan 8.290 nan 0.000 0.497 38 P HA 0.125 nan 4.420 nan 0.000 0.275 38 P C 1.088 178.376 177.300 -0.020 0.000 1.227 38 P CA -0.312 62.784 63.100 -0.007 0.000 0.781 38 P CB 1.446 33.149 31.700 0.005 0.000 0.906 39 L N 2.070 123.281 121.223 -0.019 0.000 2.127 39 L HA -0.200 4.140 4.340 -0.000 0.000 0.211 39 L C 2.303 179.138 176.870 -0.058 0.000 1.089 39 L CA 1.571 56.387 54.840 -0.039 0.000 0.757 39 L CB -0.982 41.048 42.059 -0.048 0.000 0.899 39 L HN 0.516 nan 8.230 nan 0.000 0.434 40 N N 0.414 119.087 118.700 -0.045 0.000 2.459 40 N HA -0.172 4.568 4.740 -0.000 0.000 0.181 40 N C 0.841 176.324 175.510 -0.043 0.000 1.046 40 N CA 0.738 53.760 53.050 -0.047 0.000 0.904 40 N CB 0.307 38.774 38.487 -0.034 0.000 0.964 40 N HN 0.392 nan 8.380 nan 0.000 0.444 41 M N -0.391 119.186 119.600 -0.038 0.000 2.800 41 M HA 0.237 4.717 4.480 -0.000 0.000 0.245 41 M C -2.643 173.635 176.300 -0.037 0.000 1.158 41 M CA -0.961 54.316 55.300 -0.038 0.000 0.810 41 M CB 1.601 34.182 32.600 -0.033 0.000 3.019 41 M HN -0.298 nan 8.290 nan 0.000 0.381 42 P HA 0.023 nan 4.420 nan 0.000 0.216 42 P C 0.960 178.227 177.300 -0.056 0.000 1.150 42 P CA 2.778 65.846 63.100 -0.054 0.000 0.843 42 P CB 0.289 31.953 31.700 -0.059 0.000 0.787 43 G N -3.184 105.596 108.800 -0.033 0.000 2.179 43 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.220 43 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.220 43 G C 0.619 175.583 174.900 0.106 0.000 0.990 43 G CA -0.282 44.810 45.100 -0.013 0.000 0.646 43 G HN 0.661 nan 8.290 nan 0.000 0.517 44 G N -0.015 108.857 108.800 0.119 0.000 2.508 44 G HA2 0.502 4.462 3.960 -0.000 0.000 0.278 44 G HA3 0.502 4.462 3.960 -0.000 0.000 0.278 44 G C 1.308 176.286 174.900 0.130 0.000 1.389 44 G CA 0.961 46.222 45.100 0.269 0.000 1.050 44 G HN 0.643 nan 8.290 nan 0.000 0.522 45 S N -0.896 114.878 115.700 0.123 0.000 2.399 45 S HA -0.137 4.333 4.470 -0.000 0.000 0.231 45 S C 2.492 176.843 174.600 -0.415 0.000 1.022 45 S CA 1.752 59.808 58.200 -0.239 0.000 0.983 45 S CB -0.371 62.850 63.200 0.034 0.000 0.803 45 S HN 0.605 nan 8.310 nan 0.000 0.480 46 T N 2.055 116.512 114.554 -0.161 0.000 2.803 46 T HA -0.052 4.298 4.350 -0.000 0.000 0.269 46 T C 1.837 176.449 174.700 -0.146 0.000 1.052 46 T CA 1.297 63.314 62.100 -0.138 0.000 1.136 46 T CB -0.311 68.521 68.868 -0.061 0.000 0.864 46 T HN 0.357 nan 8.240 nan 0.000 0.467 47 S N 0.520 116.143 115.700 -0.128 0.000 2.603 47 S HA -0.046 4.424 4.470 -0.000 0.000 0.229 47 S C 1.443 175.997 174.600 -0.076 0.000 0.972 47 S CA 0.342 58.489 58.200 -0.089 0.000 0.935 47 S CB -0.293 62.874 63.200 -0.056 0.000 0.769 47 S HN 0.835 nan 8.310 nan 0.000 0.536 48 H N -1.359 117.667 119.070 -0.073 0.000 3.058 48 H HA 0.547 5.103 4.556 -0.000 0.000 0.266 48 H C 0.435 175.737 175.328 -0.043 0.000 1.135 48 H CA -0.153 55.832 56.048 -0.105 0.000 1.174 48 H CB -0.048 29.600 29.762 -0.191 0.000 1.581 48 H HN 0.216 nan 8.280 nan 0.000 0.553 49 A N 3.596 126.353 122.820 -0.105 0.000 2.477 49 A HA 0.196 4.515 4.320 -0.000 0.000 0.246 49 A C -0.922 176.593 177.584 -0.116 0.000 1.078 49 A CA -0.976 50.993 52.037 -0.115 0.000 0.770 49 A CB 0.406 19.285 19.000 -0.202 0.000 1.011 49 A HN 0.361 nan 8.150 nan 0.000 0.494 50 P HA 0.075 nan 4.420 nan 0.000 0.231 50 P C 0.862 178.120 177.300 -0.070 0.000 1.168 50 P CA 1.139 64.149 63.100 -0.150 0.000 0.779 50 P CB 0.188 31.696 31.700 -0.320 0.000 0.844 51 G N -0.353 108.391 108.800 -0.095 0.000 2.142 51 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.225 51 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.225 51 G C -0.315 174.543 174.900 -0.069 0.000 1.015 51 G CA -0.437 44.622 45.100 -0.068 0.000 0.716 51 G HN 0.218 nan 8.290 nan 0.000 0.508 52 L N 0.336 121.503 121.223 -0.093 0.000 2.410 52 L HA 0.496 4.835 4.340 -0.000 0.000 0.273 52 L C 0.671 177.500 176.870 -0.069 0.000 1.152 52 L CA 0.045 54.807 54.840 -0.130 0.000 0.855 52 L CB 1.651 43.632 42.059 -0.129 0.000 1.129 52 L HN 0.022 nan 8.230 nan 0.000 0.463 53 V N 4.987 124.835 119.914 -0.109 0.000 2.349 53 V HA 0.355 4.475 4.120 -0.000 0.000 0.284 53 V C -0.534 175.513 176.094 -0.079 0.000 1.014 53 V CA -0.426 61.895 62.300 0.036 0.000 0.826 53 V CB 0.660 32.615 31.823 0.221 0.000 1.009 53 V HN 0.381 nan 8.190 nan 0.000 0.431 54 F N 3.369 123.414 119.950 0.158 0.000 2.361 54 F HA 0.395 4.922 4.527 -0.000 0.000 0.364 54 F C 1.428 177.312 175.800 0.140 0.000 1.117 54 F CA -0.281 57.812 58.000 0.155 0.000 1.071 54 F CB 1.766 40.862 39.000 0.160 0.000 1.188 54 F HN 0.454 nan 8.300 nan 0.000 0.464 55 Q N 0.749 120.714 119.800 0.274 0.000 2.123 55 Q HA -0.022 4.318 4.340 -0.000 0.000 0.199 55 Q C 0.535 176.678 176.000 0.239 0.000 0.966 55 Q CA 0.785 56.716 55.803 0.213 0.000 0.845 55 Q CB -0.057 28.774 28.738 0.154 0.000 0.907 55 Q HN 0.568 nan 8.270 nan 0.000 0.439 56 T N 2.051 116.760 114.554 0.258 0.000 2.902 56 T HA 0.107 4.457 4.350 -0.000 0.000 0.301 56 T C -0.104 174.742 174.700 0.243 0.000 1.012 56 T CA 0.097 62.355 62.100 0.263 0.000 1.151 56 T CB 0.265 69.272 68.868 0.233 0.000 0.946 56 T HN 0.170 nan 8.240 nan 0.000 0.542 57 N N 2.510 121.354 118.700 0.240 0.000 2.484 57 N HA 0.244 4.984 4.740 -0.000 0.000 0.269 57 N C -2.350 173.115 175.510 -0.074 0.000 1.237 57 N CA -1.876 51.226 53.050 0.085 0.000 0.838 57 N CB 2.581 41.081 38.487 0.021 0.000 1.593 57 N HN 0.137 nan 8.380 nan 0.000 0.485 58 P HA -0.055 nan 4.420 nan 0.000 0.222 58 P C 0.431 177.543 177.300 -0.313 0.000 1.147 58 P CA 0.770 63.362 63.100 -0.846 0.000 0.790 58 P CB 0.245 31.637 31.700 -0.513 0.000 0.780 59 S N 0.057 115.573 115.700 -0.308 0.000 2.452 59 S HA 0.179 4.648 4.470 -0.000 0.000 0.284 59 S C 1.305 175.379 174.600 -0.877 0.000 1.171 59 S CA -0.709 57.213 58.200 -0.464 0.000 1.064 59 S CB 0.614 63.572 63.200 -0.404 0.000 0.967 59 S HN -0.066 nan 8.310 nan 0.000 0.484 60 K N 3.408 122.950 120.400 -1.430 0.000 2.074 60 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 60 K C 1.670 177.605 176.600 -1.109 0.000 1.048 60 K CA 2.148 57.217 56.287 -2.031 0.000 0.926 60 K CB -0.556 30.831 32.500 -1.855 0.000 0.713 60 K HN 0.715 nan 8.250 nan 0.000 0.444 61 T N 1.331 115.364 114.554 -0.869 0.000 2.708 61 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 61 T C 1.798 175.884 174.700 -1.024 0.000 1.037 61 T CA 1.548 63.112 62.100 -0.894 0.000 1.146 61 T CB -0.050 68.346 68.868 -0.786 0.000 0.865 61 T HN 0.200 nan 8.240 nan 0.000 0.435 62 M N 1.125 120.273 119.600 -0.754 0.000 2.175 62 M HA 0.098 4.577 4.480 -0.000 0.000 0.264 62 M C 2.792 178.960 176.300 -0.219 0.000 1.063 62 M CA 1.178 56.156 55.300 -0.536 0.000 1.119 62 M CB -1.642 30.629 32.600 -0.548 0.000 1.377 62 M HN 0.284 nan 8.290 nan 0.000 0.415 63 A N 1.005 123.644 122.820 -0.303 0.000 1.908 63 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 63 A C 2.500 180.042 177.584 -0.071 0.000 1.181 63 A CA 2.614 54.584 52.037 -0.112 0.000 0.627 63 A CB -0.996 17.913 19.000 -0.153 0.000 0.818 63 A HN 0.617 nan 8.150 nan 0.000 0.445 64 S N -0.760 114.800 115.700 -0.234 0.000 2.382 64 S HA -0.132 4.338 4.470 -0.000 0.000 0.228 64 S C 1.898 176.565 174.600 0.111 0.000 1.027 64 S CA 1.298 59.431 58.200 -0.111 0.000 0.991 64 S CB -0.976 62.086 63.200 -0.230 0.000 0.823 64 S HN 0.551 nan 8.310 nan 0.000 0.469 65 F N 2.067 122.023 119.950 0.009 0.000 2.134 65 F HA -0.032 4.495 4.527 -0.000 0.000 0.299 65 F C 3.046 178.946 175.800 0.168 0.000 1.097 65 F CA 0.504 58.566 58.000 0.103 0.000 1.264 65 F CB -0.400 38.666 39.000 0.110 0.000 1.001 65 F HN 0.376 nan 8.300 nan 0.000 0.479 66 A N 0.341 123.384 122.820 0.372 0.000 1.897 66 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 66 A C 2.055 179.689 177.584 0.083 0.000 1.181 66 A CA 1.312 53.460 52.037 0.185 0.000 0.620 66 A CB -0.511 18.586 19.000 0.161 0.000 0.821 66 A HN 0.255 nan 8.150 nan 0.000 0.443 67 K N -1.706 118.756 120.400 0.103 0.000 2.097 67 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 67 K C 1.927 178.553 176.600 0.044 0.000 1.049 67 K CA 1.743 58.061 56.287 0.052 0.000 0.933 67 K CB -0.345 32.200 32.500 0.075 0.000 0.717 67 K HN 0.614 nan 8.250 nan 0.000 0.442 68 Y N 1.797 122.098 120.300 0.002 0.000 2.242 68 Y HA -0.195 4.355 4.550 -0.000 0.000 0.291 68 Y C 2.173 178.034 175.900 -0.065 0.000 1.137 68 Y CA 1.512 59.601 58.100 -0.018 0.000 1.181 68 Y CB -0.342 38.133 38.460 0.025 0.000 0.989 68 Y HN -0.042 nan 8.280 nan 0.000 0.527 69 T N -0.312 114.180 114.554 -0.104 0.000 2.708 69 T HA -0.187 4.163 4.350 -0.000 0.000 0.266 69 T C 2.075 176.542 174.700 -0.388 0.000 1.037 69 T CA 1.750 63.716 62.100 -0.224 0.000 1.146 69 T CB -0.762 68.061 68.868 -0.076 0.000 0.865 69 T HN 0.191 nan 8.240 nan 0.000 0.435 70 V N 1.471 121.118 119.914 -0.444 0.000 2.287 70 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 70 V C 2.561 178.309 176.094 -0.577 0.000 1.053 70 V CA 2.054 63.871 62.300 -0.806 0.000 1.027 70 V CB -0.600 30.814 31.823 -0.681 0.000 0.646 70 V HN 0.574 nan 8.190 nan 0.000 0.447 71 E N 0.277 120.247 120.200 -0.382 0.000 2.058 71 E HA -0.308 4.041 4.350 -0.000 0.000 0.194 71 E C 2.344 178.746 176.600 -0.330 0.000 0.997 71 E CA 1.884 58.111 56.400 -0.288 0.000 0.801 71 E CB -0.129 29.446 29.700 -0.209 0.000 0.746 71 E HN 0.565 nan 8.360 nan 0.000 0.450 72 K N 0.256 120.359 120.400 -0.496 0.000 2.025 72 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 72 K C 2.368 178.819 176.600 -0.247 0.000 1.049 72 K CA 1.050 57.077 56.287 -0.433 0.000 0.933 72 K CB -0.071 32.059 32.500 -0.617 0.000 0.714 72 K HN 0.181 nan 8.250 nan 0.000 0.438 73 L N 0.978 122.056 121.223 -0.241 0.000 2.131 73 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 73 L C 2.305 179.158 176.870 -0.028 0.000 1.092 73 L CA 0.841 55.619 54.840 -0.104 0.000 0.759 73 L CB -0.335 41.698 42.059 -0.042 0.000 0.903 73 L HN 0.226 nan 8.230 nan 0.000 0.435 74 L N -0.410 120.767 121.223 -0.076 0.000 2.201 74 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 74 L C 2.763 179.623 176.870 -0.017 0.000 1.105 74 L CA 1.407 56.251 54.840 0.005 0.000 0.775 74 L CB -0.382 41.663 42.059 -0.024 0.000 0.913 74 L HN 0.384 nan 8.230 nan 0.000 0.440 75 S N -0.976 114.688 115.700 -0.059 0.000 2.496 75 S HA 0.002 4.472 4.470 -0.000 0.000 0.224 75 S C 0.918 175.497 174.600 -0.035 0.000 0.996 75 S CA -0.078 58.093 58.200 -0.049 0.000 0.927 75 S CB -0.135 63.023 63.200 -0.070 0.000 0.774 75 S HN 0.248 nan 8.310 nan 0.000 0.524 76 L N 2.424 123.626 121.223 -0.036 0.000 2.295 76 L HA 0.445 4.785 4.340 -0.000 0.000 0.288 76 L C -0.105 176.758 176.870 -0.012 0.000 1.079 76 L CA -0.047 54.777 54.840 -0.026 0.000 0.830 76 L CB 1.016 43.056 42.059 -0.031 0.000 1.200 76 L HN 0.298 nan 8.230 nan 0.000 0.438 77 T N 3.545 118.092 114.554 -0.012 0.000 2.894 77 T HA 0.468 4.818 4.350 -0.000 0.000 0.309 77 T C -1.451 173.243 174.700 -0.010 0.000 1.208 77 T CA -0.499 61.597 62.100 -0.007 0.000 1.016 77 T CB 2.144 71.010 68.868 -0.003 0.000 1.192 77 T HN 0.677 nan 8.240 nan 0.000 0.491 78 E N 1.725 121.919 120.200 -0.009 0.000 2.335 78 E HA 0.388 4.738 4.350 -0.000 0.000 0.280 78 E C -1.158 175.437 176.600 -0.009 0.000 0.918 78 E CA -0.532 55.861 56.400 -0.011 0.000 0.765 78 E CB 1.084 30.775 29.700 -0.015 0.000 1.218 78 E HN 0.744 nan 8.360 nan 0.000 0.425 79 D N 2.758 123.153 120.400 -0.008 0.000 2.837 79 D HA -0.195 4.445 4.640 -0.000 0.000 0.230 79 D C 0.664 176.961 176.300 -0.006 0.000 1.152 79 D CA 1.685 55.681 54.000 -0.007 0.000 0.736 79 D CB -1.484 39.312 40.800 -0.008 0.000 1.084 79 D HN 0.991 nan 8.370 nan 0.000 0.429 80 G N -1.698 107.099 108.800 -0.004 0.000 2.168 80 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.257 80 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.257 80 G C 0.276 175.175 174.900 -0.003 0.000 0.997 80 G CA 0.449 45.548 45.100 -0.003 0.000 0.708 80 G HN 0.687 nan 8.290 nan 0.000 0.520 81 V N 1.501 121.413 119.914 -0.004 0.000 2.407 81 V HA 0.658 4.778 4.120 -0.000 0.000 0.291 81 V C 0.840 176.934 176.094 -0.000 0.000 1.018 81 V CA -0.200 62.097 62.300 -0.004 0.000 0.842 81 V CB 1.466 33.285 31.823 -0.008 0.000 0.996 81 V HN 0.839 nan 8.190 nan 0.000 0.426 82 S N 3.428 119.132 115.700 0.008 0.000 2.641 82 S HA 0.160 4.630 4.470 -0.000 0.000 0.261 82 S C 0.659 175.274 174.600 0.025 0.000 1.257 82 S CA -0.366 57.846 58.200 0.019 0.000 0.983 82 S CB 1.070 64.293 63.200 0.039 0.000 0.990 82 S HN 0.687 nan 8.310 nan 0.000 0.572 83 C N 0.563 119.890 119.300 0.044 0.000 2.525 83 C HA 0.521 4.981 4.460 -0.000 0.000 0.313 83 C C -0.279 174.800 174.990 0.148 0.000 1.311 83 C CA -0.542 58.510 59.018 0.057 0.000 1.725 83 C CB -2.429 25.333 27.740 0.036 0.000 1.926 83 C HN 0.642 nan 8.230 nan 0.000 0.595 84 F N 2.041 121.962 119.950 -0.049 0.000 2.573 84 F HA 0.445 4.972 4.527 -0.000 0.000 0.316 84 F C -0.701 175.073 175.800 -0.043 0.000 1.148 84 F CA -0.751 57.218 58.000 -0.051 0.000 0.940 84 F CB 0.799 39.765 39.000 -0.057 0.000 1.214 84 F HN -0.036 nan 8.300 nan 0.000 0.448 85 N N 4.602 122.967 118.700 -0.558 0.000 2.546 85 N HA 0.136 4.876 4.740 -0.000 0.000 0.238 85 N C -0.888 174.292 175.510 -0.550 0.000 0.984 85 N CA -0.198 52.623 53.050 -0.382 0.000 0.935 85 N CB 1.067 39.384 38.487 -0.283 0.000 1.122 85 N HN 0.778 nan 8.380 nan 0.000 0.510 86 Q N 3.647 123.304 119.800 -0.239 0.000 3.181 86 Q HA 0.122 4.462 4.340 -0.000 0.000 0.293 86 Q C 0.838 176.811 176.000 -0.045 0.000 1.406 86 Q CA -0.322 55.437 55.803 -0.074 0.000 1.026 86 Q CB -0.008 28.852 28.738 0.204 0.000 1.630 86 Q HN 0.613 nan 8.270 nan 0.000 0.553 87 V N -0.696 119.149 119.914 -0.114 0.000 3.380 87 V HA 0.309 4.428 4.120 -0.000 0.000 0.268 87 V C 0.913 177.037 176.094 0.050 0.000 1.168 87 V CA 0.550 62.828 62.300 -0.037 0.000 1.156 87 V CB -1.170 30.613 31.823 -0.066 0.000 0.785 87 V HN 0.665 nan 8.190 nan 0.000 0.487 88 G N -0.744 108.090 108.800 0.057 0.000 2.796 88 G HA2 0.350 4.310 3.960 -0.000 0.000 0.571 88 G HA3 0.350 4.310 3.960 -0.000 0.000 0.571 88 G C -0.090 174.883 174.900 0.122 0.000 1.370 88 G CA -0.255 44.920 45.100 0.125 0.000 0.856 88 G HN 1.689 nan 8.290 nan 0.000 0.538 89 G N -1.506 107.419 108.800 0.209 0.000 2.638 89 G HA2 0.778 4.737 3.960 -0.000 0.000 0.302 89 G HA3 0.778 4.737 3.960 -0.000 0.000 0.302 89 G C -1.498 173.671 174.900 0.448 0.000 1.365 89 G CA -0.079 45.164 45.100 0.238 0.000 0.987 89 G HN 1.673 nan 8.290 nan 0.000 0.495 90 L N 0.684 122.181 121.223 0.455 0.000 2.376 90 L HA 0.607 4.947 4.340 -0.000 0.000 0.275 90 L C -0.462 176.582 176.870 0.290 0.000 0.987 90 L CA -0.603 54.434 54.840 0.328 0.000 0.828 90 L CB 1.838 44.012 42.059 0.191 0.000 1.249 90 L HN 0.575 nan 8.230 nan 0.000 0.409 91 E N 4.672 124.982 120.200 0.183 0.000 2.133 91 E HA 0.529 4.879 4.350 -0.000 0.000 0.274 91 E C -0.798 175.828 176.600 0.044 0.000 0.930 91 E CA -0.776 55.660 56.400 0.060 0.000 0.770 91 E CB 2.225 31.899 29.700 -0.042 0.000 1.104 91 E HN 0.531 nan 8.360 nan 0.000 0.403 92 V N -0.380 119.556 119.914 0.036 0.000 2.713 92 V HA 0.859 4.979 4.120 -0.000 0.000 0.307 92 V C -0.174 175.946 176.094 0.043 0.000 1.052 92 V CA -0.901 61.408 62.300 0.014 0.000 0.967 92 V CB 1.561 33.354 31.823 -0.050 0.000 1.019 92 V HN 0.663 nan 8.190 nan 0.000 0.459 93 A N 2.402 125.239 122.820 0.028 0.000 2.303 93 A HA 0.689 5.009 4.320 -0.000 0.000 0.320 93 A C 0.695 178.306 177.584 0.045 0.000 1.192 93 A CA 0.079 52.141 52.037 0.042 0.000 0.821 93 A CB 1.331 20.342 19.000 0.018 0.000 1.188 93 A HN 1.471 nan 8.150 nan 0.000 0.492 94 T N -1.357 113.247 114.554 0.084 0.000 3.054 94 T HA 0.286 4.636 4.350 -0.000 0.000 0.255 94 T C 0.621 175.354 174.700 0.055 0.000 1.035 94 T CA 0.713 62.857 62.100 0.074 0.000 0.941 94 T CB -0.516 68.432 68.868 0.133 0.000 1.026 94 T HN 1.031 nan 8.240 nan 0.000 0.533 95 T N -1.667 112.916 114.554 0.048 0.000 2.906 95 T HA 0.508 4.858 4.350 -0.000 0.000 0.295 95 T C 0.539 175.251 174.700 0.021 0.000 1.075 95 T CA -0.829 61.292 62.100 0.034 0.000 1.005 95 T CB 2.387 71.279 68.868 0.041 0.000 1.136 95 T HN -0.003 nan 8.240 nan 0.000 0.498 96 E N 0.539 120.747 120.200 0.013 0.000 2.153 96 E HA -0.113 4.236 4.350 -0.000 0.000 0.194 96 E C 1.821 178.418 176.600 -0.005 0.000 0.988 96 E CA 1.585 57.985 56.400 -0.000 0.000 0.811 96 E CB -0.260 29.438 29.700 -0.005 0.000 0.746 96 E HN 0.735 nan 8.360 nan 0.000 0.466 97 T N 0.685 115.246 114.554 0.012 0.000 2.746 97 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 97 T C 1.861 176.566 174.700 0.008 0.000 1.039 97 T CA 1.490 63.601 62.100 0.018 0.000 1.142 97 T CB -0.130 68.772 68.868 0.056 0.000 0.866 97 T HN -0.003 nan 8.240 nan 0.000 0.444 98 R N 0.834 121.345 120.500 0.018 0.000 2.090 98 R HA 0.100 4.439 4.340 -0.000 0.000 0.228 98 R C 2.168 178.463 176.300 -0.009 0.000 1.110 98 R CA 0.869 56.976 56.100 0.011 0.000 0.973 98 R CB -1.018 29.299 30.300 0.029 0.000 0.869 98 R HN 0.320 nan 8.270 nan 0.000 0.440 99 L N 0.196 121.415 121.223 -0.007 0.000 2.042 99 L HA -0.025 4.315 4.340 -0.000 0.000 0.210 99 L C 2.059 178.914 176.870 -0.025 0.000 1.076 99 L CA 2.263 57.094 54.840 -0.015 0.000 0.749 99 L CB -0.925 41.127 42.059 -0.011 0.000 0.893 99 L HN 0.250 nan 8.230 nan 0.000 0.432 100 A N -0.972 121.831 122.820 -0.028 0.000 1.902 100 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 100 A C 2.103 179.705 177.584 0.030 0.000 1.181 100 A CA 1.892 53.928 52.037 -0.002 0.000 0.623 100 A CB -1.023 17.906 19.000 -0.117 0.000 0.818 100 A HN 0.557 nan 8.150 nan 0.000 0.443 101 D N -0.253 120.119 120.400 -0.046 0.000 2.178 101 D HA -0.097 4.543 4.640 -0.000 0.000 0.201 101 D C 1.797 177.986 176.300 -0.185 0.000 0.980 101 D CA 0.927 54.847 54.000 -0.135 0.000 0.842 101 D CB -0.179 40.569 40.800 -0.088 0.000 0.948 101 D HN 0.448 nan 8.370 nan 0.000 0.472 102 L N -0.047 121.106 121.223 -0.116 0.000 2.131 102 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 102 L C 2.313 179.080 176.870 -0.172 0.000 1.092 102 L CA 0.989 55.758 54.840 -0.119 0.000 0.759 102 L CB -0.345 41.679 42.059 -0.058 0.000 0.903 102 L HN 0.043 nan 8.230 nan 0.000 0.435 103 K N -0.028 120.268 120.400 -0.173 0.000 2.097 103 K HA -0.176 4.143 4.320 -0.000 0.000 0.205 103 K C 2.226 178.563 176.600 -0.439 0.000 1.050 103 K CA 0.968 57.126 56.287 -0.215 0.000 0.938 103 K CB -0.152 32.281 32.500 -0.112 0.000 0.718 103 K HN 0.172 nan 8.250 nan 0.000 0.442 104 R N 1.878 121.958 120.500 -0.701 0.000 2.091 104 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 104 R C 1.842 177.559 176.300 -0.972 0.000 1.136 104 R CA 1.614 57.091 56.100 -1.038 0.000 0.959 104 R CB 0.085 29.624 30.300 -1.268 0.000 0.856 104 R HN 0.048 nan 8.270 nan 0.000 0.437 105 K N 0.164 120.158 120.400 -0.676 0.000 2.148 105 K HA -0.139 4.180 4.320 -0.000 0.000 0.204 105 K C 2.013 178.442 176.600 -0.284 0.000 1.050 105 K CA 1.005 57.004 56.287 -0.480 0.000 0.942 105 K CB -0.156 32.251 32.500 -0.155 0.000 0.724 105 K HN 0.135 nan 8.250 nan 0.000 0.446 106 L N 0.798 121.875 121.223 -0.244 0.000 2.131 106 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 106 L C 2.036 178.805 176.870 -0.168 0.000 1.092 106 L CA 1.784 56.538 54.840 -0.144 0.000 0.759 106 L CB -0.739 41.254 42.059 -0.110 0.000 0.903 106 L HN 0.159 nan 8.230 nan 0.000 0.435 107 G N -1.421 107.202 108.800 -0.295 0.000 2.421 107 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.216 107 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.216 107 G C 1.297 176.017 174.900 -0.300 0.000 1.171 107 G CA 0.981 45.916 45.100 -0.276 0.000 0.775 107 G HN 0.430 nan 8.290 nan 0.000 0.543 108 Y N 1.477 121.549 120.300 -0.380 0.000 2.165 108 Y HA -0.019 4.530 4.550 -0.000 0.000 0.286 108 Y C 3.157 178.688 175.900 -0.614 0.000 1.155 108 Y CA 0.204 57.913 58.100 -0.651 0.000 1.164 108 Y CB -1.214 37.057 38.460 -0.314 0.000 0.978 108 Y HN 0.272 nan 8.280 nan 0.000 0.513 109 A N 0.275 123.040 122.820 -0.092 0.000 1.883 109 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 109 A C 2.561 180.109 177.584 -0.059 0.000 1.186 109 A CA 2.404 54.431 52.037 -0.017 0.000 0.624 109 A CB -1.305 17.710 19.000 0.026 0.000 0.822 109 A HN 0.408 nan 8.150 nan 0.000 0.444 110 A N -0.311 122.459 122.820 -0.083 0.000 1.902 110 A HA 0.155 4.475 4.320 -0.000 0.000 0.217 110 A C 2.519 180.006 177.584 -0.161 0.000 1.181 110 A CA 2.177 54.181 52.037 -0.055 0.000 0.623 110 A CB -1.058 17.976 19.000 0.057 0.000 0.818 110 A HN 1.137 nan 8.150 nan 0.000 0.443 111 A N -1.126 121.480 122.820 -0.356 0.000 1.908 111 A HA -0.172 4.147 4.320 -0.000 0.000 0.218 111 A C 1.897 179.382 177.584 -0.164 0.000 1.181 111 A CA 1.265 53.013 52.037 -0.482 0.000 0.627 111 A CB -0.875 17.436 19.000 -1.150 0.000 0.818 111 A HN 0.821 nan 8.150 nan 0.000 0.445 112 W N -1.462 119.807 121.300 -0.052 0.000 3.278 112 W HA 0.418 5.077 4.660 -0.000 0.000 0.308 112 W C 1.351 177.853 176.519 -0.029 0.000 1.253 112 W CA -0.002 57.296 57.345 -0.077 0.000 1.759 112 W CB 0.262 29.662 29.460 -0.099 0.000 1.093 112 W HN 0.555 nan 8.180 nan 0.000 0.648 113 G N 1.925 110.819 108.800 0.157 0.000 2.182 113 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.248 113 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.248 113 G C -0.408 174.552 174.900 0.100 0.000 1.042 113 G CA -0.451 44.713 45.100 0.107 0.000 0.775 113 G HN 0.261 nan 8.290 nan 0.000 0.501 114 I N 0.529 121.161 120.570 0.104 0.000 2.354 114 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 114 I C 0.138 176.293 176.117 0.062 0.000 0.989 114 I CA -0.964 60.390 61.300 0.090 0.000 1.188 114 I CB 1.367 39.440 38.000 0.123 0.000 1.342 114 I HN -0.052 nan 8.210 nan 0.000 0.457 115 E N 4.650 124.877 120.200 0.046 0.000 2.316 115 E HA 0.522 4.872 4.350 -0.000 0.000 0.275 115 E C 0.045 176.651 176.600 0.011 0.000 1.029 115 E CA -0.032 56.385 56.400 0.028 0.000 0.871 115 E CB 1.694 31.404 29.700 0.016 0.000 1.022 115 E HN 0.856 nan 8.360 nan 0.000 0.418 116 G N 2.252 111.059 108.800 0.012 0.000 2.660 116 G HA2 0.635 4.595 3.960 -0.000 0.000 0.290 116 G HA3 0.635 4.595 3.960 -0.000 0.000 0.290 116 G C -0.968 173.944 174.900 0.019 0.000 1.432 116 G CA -0.716 44.387 45.100 0.005 0.000 0.807 116 G HN 0.297 nan 8.290 nan 0.000 0.485 117 R N -0.408 120.117 120.500 0.041 0.000 2.698 117 R HA 0.409 4.749 4.340 -0.000 0.000 0.275 117 R C -0.879 175.464 176.300 0.072 0.000 1.001 117 R CA -0.869 55.264 56.100 0.055 0.000 0.896 117 R CB 2.355 32.702 30.300 0.079 0.000 1.218 117 R HN 0.401 nan 8.270 nan 0.000 0.462 118 L N 3.868 125.115 121.223 0.041 0.000 2.331 118 L HA 0.421 4.760 4.340 -0.000 0.000 0.278 118 L C -0.218 176.679 176.870 0.045 0.000 1.106 118 L CA -0.307 54.553 54.840 0.034 0.000 0.824 118 L CB 0.474 42.535 42.059 0.004 0.000 1.142 118 L HN 0.312 nan 8.230 nan 0.000 0.443 119 L N 2.339 123.591 121.223 0.049 0.000 2.334 119 L HA 0.444 4.784 4.340 -0.000 0.000 0.276 119 L C 0.501 177.384 176.870 0.021 0.000 1.014 119 L CA -0.573 54.291 54.840 0.040 0.000 0.815 119 L CB 2.042 44.127 42.059 0.043 0.000 1.268 119 L HN 0.716 nan 8.230 nan 0.000 0.428 120 S N 1.605 117.313 115.700 0.014 0.000 2.608 120 S HA 0.263 4.732 4.470 -0.000 0.000 0.261 120 S C -1.959 172.643 174.600 0.004 0.000 1.314 120 S CA -0.972 57.232 58.200 0.007 0.000 0.992 120 S CB 0.872 64.075 63.200 0.005 0.000 0.935 120 S HN 0.421 nan 8.310 nan 0.000 0.564 121 P HA -0.097 nan 4.420 nan 0.000 0.216 121 P C 1.611 178.910 177.300 -0.002 0.000 1.153 121 P CA 2.064 65.162 63.100 -0.004 0.000 0.858 121 P CB -0.297 31.399 31.700 -0.007 0.000 0.789 122 A N -0.081 122.739 122.820 -0.000 0.000 1.902 122 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 122 A C 2.124 179.710 177.584 0.004 0.000 1.181 122 A CA 1.746 53.783 52.037 0.001 0.000 0.623 122 A CB -1.227 17.774 19.000 0.001 0.000 0.818 122 A HN 0.203 nan 8.150 nan 0.000 0.443 123 E N -0.911 119.292 120.200 0.005 0.000 2.150 123 E HA -0.160 4.189 4.350 -0.000 0.000 0.193 123 E C 2.014 178.613 176.600 -0.000 0.000 0.985 123 E CA 1.092 57.496 56.400 0.006 0.000 0.814 123 E CB -0.372 29.336 29.700 0.013 0.000 0.752 123 E HN 0.683 nan 8.360 nan 0.000 0.466 124 C N 0.935 120.237 119.300 0.003 0.000 2.429 124 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 124 C C 2.637 177.647 174.990 0.033 0.000 1.262 124 C CA 0.412 59.435 59.018 0.009 0.000 1.733 124 C CB -0.570 27.170 27.740 0.000 0.000 2.010 124 C HN 0.451 nan 8.230 nan 0.000 0.483 125 Q N 0.486 120.298 119.800 0.021 0.000 2.119 125 Q HA -0.170 4.170 4.340 -0.000 0.000 0.201 125 Q C 2.145 178.160 176.000 0.024 0.000 0.972 125 Q CA 1.329 57.148 55.803 0.028 0.000 0.847 125 Q CB -0.368 28.375 28.738 0.009 0.000 0.903 125 Q HN 0.760 nan 8.270 nan 0.000 0.433 126 E N 0.022 120.228 120.200 0.011 0.000 2.072 126 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 126 E C 1.994 178.591 176.600 -0.006 0.000 0.985 126 E CA 0.678 57.079 56.400 0.001 0.000 0.801 126 E CB 0.036 29.736 29.700 -0.001 0.000 0.750 126 E HN 0.153 nan 8.360 nan 0.000 0.452 127 L N -0.389 120.831 121.223 -0.005 0.000 2.109 127 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 127 L C 0.360 177.242 176.870 0.020 0.000 1.086 127 L CA 1.524 56.350 54.840 -0.023 0.000 0.760 127 L CB 0.102 42.104 42.059 -0.096 0.000 0.910 127 L HN 0.175 nan 8.230 nan 0.000 0.437 128 Y N -0.826 119.448 120.300 -0.043 0.000 2.535 128 Y HA 0.324 4.874 4.550 -0.000 0.000 0.351 128 Y C -1.950 173.934 175.900 -0.026 0.000 1.050 128 Y CA -1.845 56.243 58.100 -0.021 0.000 1.168 128 Y CB 0.786 39.237 38.460 -0.014 0.000 1.116 128 Y HN 0.060 nan 8.280 nan 0.000 0.654 129 P HA -0.174 nan 4.420 nan 0.000 0.220 129 P C 1.264 178.586 177.300 0.037 0.000 1.144 129 P CA 1.533 64.640 63.100 0.013 0.000 0.800 129 P CB 0.263 31.943 31.700 -0.034 0.000 0.772 130 L N -2.123 119.145 121.223 0.076 0.000 2.478 130 L HA -0.019 4.321 4.340 -0.000 0.000 0.223 130 L C 1.073 177.971 176.870 0.047 0.000 1.140 130 L CA -0.027 54.849 54.840 0.060 0.000 0.842 130 L CB -0.636 41.458 42.059 0.059 0.000 0.953 130 L HN -0.003 nan 8.230 nan 0.000 0.452 131 L N 0.878 122.165 121.223 0.107 0.000 2.490 131 L HA -0.041 4.298 4.340 -0.000 0.000 0.274 131 L C 0.541 177.384 176.870 -0.044 0.000 1.201 131 L CA 0.024 54.851 54.840 -0.021 0.000 0.869 131 L CB 0.147 42.192 42.059 -0.024 0.000 1.123 131 L HN 0.023 nan 8.230 nan 0.000 0.484 132 D N 2.643 122.993 120.400 -0.083 0.000 2.352 132 D HA 0.063 4.702 4.640 -0.000 0.000 0.245 132 D C 1.045 177.309 176.300 -0.060 0.000 1.224 132 D CA -0.045 53.914 54.000 -0.067 0.000 0.879 132 D CB 1.676 42.428 40.800 -0.080 0.000 1.057 132 D HN 0.657 nan 8.370 nan 0.000 0.491 133 G N 2.698 111.474 108.800 -0.040 0.000 2.559 133 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 133 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 133 G C 1.373 176.255 174.900 -0.030 0.000 1.126 133 G CA 1.030 46.110 45.100 -0.033 0.000 0.778 133 G HN 0.629 nan 8.290 nan 0.000 0.543 134 E N 0.445 120.626 120.200 -0.030 0.000 2.070 134 E HA -0.252 4.098 4.350 -0.000 0.000 0.197 134 E C 2.128 178.716 176.600 -0.020 0.000 1.004 134 E CA 1.994 58.380 56.400 -0.023 0.000 0.805 134 E CB -1.476 28.210 29.700 -0.023 0.000 0.744 134 E HN 0.697 nan 8.360 nan 0.000 0.451 135 N N 0.207 118.891 118.700 -0.026 0.000 2.398 135 N HA 0.260 5.000 4.740 -0.000 0.000 0.188 135 N C 0.668 176.167 175.510 -0.018 0.000 1.122 135 N CA 0.523 53.563 53.050 -0.016 0.000 0.866 135 N CB 0.043 38.525 38.487 -0.010 0.000 0.970 135 N HN 0.371 nan 8.380 nan 0.000 0.462 136 I N 1.481 122.032 120.570 -0.032 0.000 2.396 136 I HA 0.239 4.409 4.170 -0.000 0.000 0.289 136 I C 1.056 177.164 176.117 -0.015 0.000 1.056 136 I CA -0.313 60.968 61.300 -0.032 0.000 1.365 136 I CB 1.098 39.071 38.000 -0.046 0.000 1.407 136 I HN 0.242 nan 8.210 nan 0.000 0.509 137 L N 5.346 126.565 121.223 -0.006 0.000 2.463 137 L HA 0.367 4.707 4.340 -0.000 0.000 0.219 137 L C 0.990 177.858 176.870 -0.003 0.000 1.088 137 L CA 0.124 54.962 54.840 -0.003 0.000 0.849 137 L CB 0.148 42.208 42.059 0.002 0.000 1.012 137 L HN 0.825 nan 8.230 nan 0.000 0.468 138 G N -1.054 107.744 108.800 -0.003 0.000 2.313 138 G HA2 0.447 4.407 3.960 -0.000 0.000 0.296 138 G HA3 0.447 4.407 3.960 -0.000 0.000 0.296 138 G C -1.591 173.312 174.900 0.005 0.000 1.356 138 G CA -0.081 45.020 45.100 0.001 0.000 0.833 138 G HN 0.058 nan 8.290 nan 0.000 0.552 139 G N -1.539 107.270 108.800 0.016 0.000 2.690 139 G HA2 0.727 4.687 3.960 -0.000 0.000 0.291 139 G HA3 0.727 4.687 3.960 -0.000 0.000 0.291 139 G C -1.945 172.988 174.900 0.054 0.000 1.403 139 G CA -0.611 44.507 45.100 0.031 0.000 0.864 139 G HN 1.469 nan 8.290 nan 0.000 0.480 140 L N 0.694 121.964 121.223 0.078 0.000 2.325 140 L HA 0.591 4.930 4.340 -0.000 0.000 0.281 140 L C -0.531 176.460 176.870 0.202 0.000 1.004 140 L CA -0.739 54.163 54.840 0.104 0.000 0.823 140 L CB 1.330 43.426 42.059 0.062 0.000 1.236 140 L HN 0.713 nan 8.230 nan 0.000 0.415 141 H N 4.834 123.953 119.070 0.082 0.000 2.511 141 H HA 0.604 5.160 4.556 -0.000 0.000 0.328 141 H C -1.556 173.837 175.328 0.107 0.000 1.044 141 H CA -0.876 55.236 56.048 0.107 0.000 1.212 141 H CB 1.665 31.481 29.762 0.090 0.000 1.428 141 H HN 0.496 nan 8.280 nan 0.000 0.483 142 V N 8.435 128.358 119.914 0.015 0.000 2.305 142 V HA 0.149 4.269 4.120 -0.000 0.000 0.275 142 V C -1.837 174.158 176.094 -0.164 0.000 1.020 142 V CA -1.383 60.877 62.300 -0.066 0.000 0.811 142 V CB 1.276 33.159 31.823 0.101 0.000 1.031 142 V HN 0.800 nan 8.190 nan 0.000 0.439 143 P HA -0.128 nan 4.420 nan 0.000 0.221 143 P C 1.547 178.844 177.300 -0.006 0.000 1.145 143 P CA 1.398 64.381 63.100 -0.196 0.000 0.795 143 P CB 0.248 31.840 31.700 -0.180 0.000 0.775 144 S N -2.993 112.719 115.700 0.020 0.000 2.558 144 S HA 0.035 4.505 4.470 -0.000 0.000 0.217 144 S C 0.804 175.503 174.600 0.163 0.000 0.975 144 S CA -0.152 58.098 58.200 0.084 0.000 0.912 144 S CB -0.711 62.519 63.200 0.050 0.000 0.776 144 S HN -0.014 nan 8.310 nan 0.000 0.526 145 D N 1.375 121.855 120.400 0.133 0.000 2.372 145 D HA 0.650 5.290 4.640 -0.000 0.000 0.243 145 D C 0.783 177.181 176.300 0.164 0.000 1.297 145 D CA 1.076 55.165 54.000 0.149 0.000 0.958 145 D CB 0.691 41.499 40.800 0.013 0.000 1.114 145 D HN 0.483 nan 8.370 nan 0.000 0.496 146 G N -1.390 107.434 108.800 0.041 0.000 2.367 146 G HA2 0.286 4.246 3.960 -0.000 0.000 0.272 146 G HA3 0.286 4.246 3.960 -0.000 0.000 0.272 146 G C -1.830 172.730 174.900 -0.566 0.000 1.271 146 G CA -0.846 44.033 45.100 -0.370 0.000 0.893 146 G HN 0.348 nan 8.290 nan 0.000 0.485 147 L N 1.167 121.855 121.223 -0.892 0.000 2.305 147 L HA 0.706 5.046 4.340 -0.000 0.000 0.284 147 L C 0.686 177.255 176.870 -0.501 0.000 1.013 147 L CA -0.803 53.730 54.840 -0.511 0.000 0.819 147 L CB 1.691 43.544 42.059 -0.343 0.000 1.227 147 L HN 0.866 nan 8.230 nan 0.000 0.417 148 A N 2.208 124.962 122.820 -0.110 0.000 2.327 148 A HA 0.563 4.883 4.320 -0.000 0.000 0.283 148 A C 0.148 177.729 177.584 -0.004 0.000 1.127 148 A CA -0.326 51.767 52.037 0.094 0.000 0.810 148 A CB 0.599 19.696 19.000 0.162 0.000 1.066 148 A HN 0.630 nan 8.150 nan 0.000 0.492 149 S N 2.046 117.753 115.700 0.013 0.000 3.170 149 S HA 0.367 4.837 4.470 -0.000 0.000 0.257 149 S C 1.274 175.872 174.600 -0.004 0.000 1.284 149 S CA 0.027 58.222 58.200 -0.009 0.000 0.973 149 S CB 0.698 63.891 63.200 -0.012 0.000 1.330 149 S HN 0.959 nan 8.310 nan 0.000 0.493 150 A N 2.873 125.685 122.820 -0.014 0.000 1.898 150 A HA 0.092 4.412 4.320 -0.000 0.000 0.216 150 A C 2.240 179.806 177.584 -0.030 0.000 1.181 150 A CA 1.459 53.484 52.037 -0.020 0.000 0.620 150 A CB -0.739 18.240 19.000 -0.036 0.000 0.819 150 A HN 0.745 nan 8.150 nan 0.000 0.442 151 A N -0.207 122.591 122.820 -0.036 0.000 1.898 151 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 151 A C 2.251 179.812 177.584 -0.039 0.000 1.181 151 A CA 1.647 53.659 52.037 -0.042 0.000 0.620 151 A CB -0.479 18.493 19.000 -0.046 0.000 0.819 151 A HN 0.554 nan 8.150 nan 0.000 0.442 152 R N -0.285 120.196 120.500 -0.031 0.000 2.092 152 R HA -0.064 4.276 4.340 -0.000 0.000 0.231 152 R C 2.219 178.500 176.300 -0.031 0.000 1.119 152 R CA 1.372 57.454 56.100 -0.030 0.000 0.970 152 R CB -0.395 29.892 30.300 -0.022 0.000 0.864 152 R HN 0.412 nan 8.270 nan 0.000 0.440 153 A N 0.464 123.270 122.820 -0.024 0.000 1.902 153 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 153 A C 2.260 179.824 177.584 -0.034 0.000 1.181 153 A CA 1.558 53.581 52.037 -0.024 0.000 0.623 153 A CB -0.604 18.387 19.000 -0.015 0.000 0.818 153 A HN 0.225 nan 8.150 nan 0.000 0.443 154 V N 0.175 120.066 119.914 -0.038 0.000 2.287 154 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 154 V C 2.788 178.834 176.094 -0.081 0.000 1.053 154 V CA 2.185 64.456 62.300 -0.048 0.000 1.027 154 V CB -0.714 31.081 31.823 -0.047 0.000 0.646 154 V HN 0.571 nan 8.190 nan 0.000 0.447 155 Q N -0.496 119.257 119.800 -0.079 0.000 2.124 155 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 155 Q C 2.225 178.168 176.000 -0.095 0.000 0.977 155 Q CA 1.530 57.274 55.803 -0.099 0.000 0.850 155 Q CB -0.434 28.258 28.738 -0.077 0.000 0.901 155 Q HN 0.559 nan 8.270 nan 0.000 0.429 156 L N -0.108 121.075 121.223 -0.065 0.000 2.156 156 L HA -0.108 4.231 4.340 -0.000 0.000 0.208 156 L C 2.358 179.197 176.870 -0.052 0.000 1.095 156 L CA 0.525 55.333 54.840 -0.053 0.000 0.770 156 L CB -0.411 41.626 42.059 -0.036 0.000 0.914 156 L HN 0.162 nan 8.230 nan 0.000 0.439 157 L N -0.370 120.823 121.223 -0.050 0.000 2.056 157 L HA -0.201 4.139 4.340 -0.000 0.000 0.207 157 L C 2.466 179.306 176.870 -0.051 0.000 1.078 157 L CA 1.221 56.044 54.840 -0.028 0.000 0.749 157 L CB -0.325 41.730 42.059 -0.005 0.000 0.901 157 L HN 0.169 nan 8.230 nan 0.000 0.433 158 I N -0.093 120.377 120.570 -0.167 0.000 2.163 158 I HA -0.343 3.826 4.170 -0.000 0.000 0.243 158 I C 2.716 178.687 176.117 -0.245 0.000 1.085 158 I CA 1.445 62.490 61.300 -0.425 0.000 1.347 158 I CB -0.263 37.349 38.000 -0.646 0.000 1.044 158 I HN 0.240 nan 8.210 nan 0.000 0.408 159 K N 1.414 121.722 120.400 -0.152 0.000 2.032 159 K HA -0.230 4.090 4.320 -0.000 0.000 0.209 159 K C 2.338 178.919 176.600 -0.032 0.000 1.048 159 K CA 1.835 58.072 56.287 -0.085 0.000 0.927 159 K CB -0.110 32.350 32.500 -0.066 0.000 0.712 159 K HN 0.330 nan 8.250 nan 0.000 0.441 160 R N -0.001 120.488 120.500 -0.018 0.000 2.153 160 R HA -0.035 4.304 4.340 -0.000 0.000 0.218 160 R C 1.914 178.237 176.300 0.037 0.000 1.072 160 R CA 1.629 57.734 56.100 0.008 0.000 0.990 160 R CB -0.579 29.724 30.300 0.004 0.000 0.889 160 R HN 0.232 nan 8.270 nan 0.000 0.452 161 T N -1.559 113.036 114.554 0.068 0.000 2.942 161 T HA 0.023 4.372 4.350 -0.000 0.000 0.265 161 T C 1.651 176.443 174.700 0.153 0.000 1.062 161 T CA 0.837 63.010 62.100 0.123 0.000 1.139 161 T CB -0.024 68.959 68.868 0.192 0.000 0.883 161 T HN 0.338 nan 8.240 nan 0.000 0.468 162 E N 1.298 121.600 120.200 0.169 0.000 2.118 162 E HA -0.094 4.255 4.350 -0.000 0.000 0.195 162 E C 2.472 179.118 176.600 0.077 0.000 0.992 162 E CA 1.352 57.842 56.400 0.150 0.000 0.804 162 E CB -0.169 29.588 29.700 0.095 0.000 0.741 162 E HN 0.514 nan 8.360 nan 0.000 0.458 163 S N 0.317 116.046 115.700 0.048 0.000 2.399 163 S HA -0.121 4.349 4.470 -0.000 0.000 0.231 163 S C 1.834 176.453 174.600 0.032 0.000 1.022 163 S CA 0.940 59.158 58.200 0.031 0.000 0.983 163 S CB 0.052 63.263 63.200 0.019 0.000 0.803 163 S HN 0.338 nan 8.310 nan 0.000 0.480 164 A N 0.003 122.848 122.820 0.042 0.000 2.251 164 A HA 0.547 4.867 4.320 -0.000 0.000 0.209 164 A C 1.541 179.146 177.584 0.035 0.000 1.187 164 A CA 0.728 52.787 52.037 0.036 0.000 0.823 164 A CB -0.389 18.636 19.000 0.041 0.000 0.846 164 A HN 0.756 nan 8.150 nan 0.000 0.486 165 G N -1.853 106.970 108.800 0.039 0.000 2.192 165 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.193 165 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.193 165 G C 0.122 175.034 174.900 0.020 0.000 0.999 165 G CA -0.094 45.022 45.100 0.026 0.000 0.659 165 G HN 0.634 nan 8.290 nan 0.000 0.503 166 V N 2.058 121.995 119.914 0.038 0.000 2.637 166 V HA 0.464 4.584 4.120 -0.000 0.000 0.296 166 V C 0.921 177.008 176.094 -0.011 0.000 1.046 166 V CA 0.648 62.938 62.300 -0.017 0.000 1.066 166 V CB 1.374 33.187 31.823 -0.017 0.000 0.968 166 V HN 0.289 nan 8.190 nan 0.000 0.483 167 T N 5.303 119.788 114.554 -0.114 0.000 2.767 167 T HA 0.488 4.838 4.350 -0.000 0.000 0.288 167 T C -0.744 173.820 174.700 -0.226 0.000 0.963 167 T CA 0.050 62.106 62.100 -0.073 0.000 1.019 167 T CB 0.196 69.026 68.868 -0.064 0.000 0.923 167 T HN 0.430 nan 8.240 nan 0.000 0.468 168 Y N 2.347 122.637 120.300 -0.016 0.000 2.341 168 Y HA 0.491 5.041 4.550 -0.000 0.000 0.337 168 Y C 0.880 176.767 175.900 -0.022 0.000 1.014 168 Y CA -0.972 57.115 58.100 -0.021 0.000 1.111 168 Y CB 1.283 39.730 38.460 -0.022 0.000 1.194 168 Y HN 0.376 nan 8.280 nan 0.000 0.462 169 R N 2.457 123.005 120.500 0.080 0.000 2.407 169 R HA 0.432 4.772 4.340 -0.000 0.000 0.298 169 R C 0.241 176.565 176.300 0.041 0.000 1.166 169 R CA -0.595 55.533 56.100 0.046 0.000 1.006 169 R CB 1.256 31.558 30.300 0.004 0.000 1.145 169 R HN 0.864 nan 8.270 nan 0.000 0.538 170 G N 0.029 108.857 108.800 0.046 0.000 2.621 170 G HA2 0.175 4.134 3.960 -0.000 0.000 0.271 170 G HA3 0.175 4.134 3.960 -0.000 0.000 0.271 170 G C 0.150 175.051 174.900 0.001 0.000 1.236 170 G CA -0.421 44.690 45.100 0.018 0.000 0.958 170 G HN 0.530 nan 8.290 nan 0.000 0.512 171 S N -1.773 113.922 115.700 -0.009 0.000 3.533 171 S HA -0.175 4.294 4.470 -0.000 0.000 0.347 171 S C 0.297 174.890 174.600 -0.011 0.000 1.101 171 S CA 1.193 59.390 58.200 -0.006 0.000 1.009 171 S CB -1.654 61.550 63.200 0.006 0.000 0.916 171 S HN 0.939 nan 8.310 nan 0.000 0.496 172 T N 2.103 116.642 114.554 -0.026 0.000 2.864 172 T HA 0.426 4.775 4.350 -0.000 0.000 0.299 172 T C -0.082 174.589 174.700 -0.048 0.000 1.011 172 T CA -0.409 61.674 62.100 -0.027 0.000 0.975 172 T CB 1.646 70.501 68.868 -0.022 0.000 0.962 172 T HN 0.118 nan 8.240 nan 0.000 0.448 173 T N 3.116 117.646 114.554 -0.040 0.000 2.749 173 T HA 0.381 4.731 4.350 -0.000 0.000 0.287 173 T C 0.480 175.158 174.700 -0.036 0.000 0.970 173 T CA -0.490 61.577 62.100 -0.055 0.000 0.980 173 T CB 0.897 69.744 68.868 -0.035 0.000 0.924 173 T HN 0.324 nan 8.240 nan 0.000 0.456 174 V N 4.683 124.571 119.914 -0.044 0.000 2.508 174 V HA 0.170 4.290 4.120 -0.000 0.000 0.281 174 V C 1.642 177.738 176.094 0.003 0.000 1.041 174 V CA 0.282 62.575 62.300 -0.012 0.000 1.016 174 V CB 0.821 32.642 31.823 -0.002 0.000 0.984 174 V HN 1.160 nan 8.190 nan 0.000 0.478 175 T N 0.783 115.347 114.554 0.015 0.000 2.985 175 T HA 0.482 4.831 4.350 -0.000 0.000 0.254 175 T C 0.610 175.327 174.700 0.028 0.000 1.021 175 T CA 0.412 62.526 62.100 0.023 0.000 0.957 175 T CB 0.642 69.521 68.868 0.020 0.000 1.047 175 T HN 0.989 nan 8.240 nan 0.000 0.511 176 G N 0.635 109.454 108.800 0.031 0.000 2.550 176 G HA2 0.556 4.516 3.960 -0.000 0.000 0.293 176 G HA3 0.556 4.516 3.960 -0.000 0.000 0.293 176 G C -2.193 172.732 174.900 0.043 0.000 1.402 176 G CA -0.844 44.273 45.100 0.030 0.000 0.784 176 G HN 0.172 nan 8.290 nan 0.000 0.482 177 I N 0.776 121.365 120.570 0.031 0.000 2.466 177 I HA 0.409 4.579 4.170 -0.000 0.000 0.289 177 I C -0.216 175.918 176.117 0.027 0.000 1.026 177 I CA -0.663 60.667 61.300 0.050 0.000 1.078 177 I CB 1.701 39.724 38.000 0.039 0.000 1.249 177 I HN 0.686 nan 8.210 nan 0.000 0.429 178 E N 6.507 126.732 120.200 0.041 0.000 2.249 178 E HA 0.487 4.837 4.350 -0.000 0.000 0.280 178 E C -1.055 175.564 176.600 0.032 0.000 1.016 178 E CA -0.373 56.044 56.400 0.028 0.000 0.830 178 E CB 1.437 31.153 29.700 0.027 0.000 1.081 178 E HN 0.685 nan 8.360 nan 0.000 0.395 179 Q N 1.379 121.189 119.800 0.018 0.000 2.462 179 Q HA 0.601 4.940 4.340 -0.000 0.000 0.285 179 Q C -1.456 174.552 176.000 0.013 0.000 1.035 179 Q CA -1.063 54.752 55.803 0.019 0.000 0.799 179 Q CB 2.116 30.858 28.738 0.006 0.000 1.452 179 Q HN 0.294 nan 8.270 nan 0.000 0.404 180 S N -0.487 115.223 115.700 0.017 0.000 2.546 180 S HA 0.634 5.104 4.470 -0.000 0.000 0.272 180 S C 0.185 174.794 174.600 0.015 0.000 1.140 180 S CA 0.364 58.571 58.200 0.012 0.000 0.920 180 S CB 1.357 64.563 63.200 0.010 0.000 1.083 180 S HN 1.548 nan 8.310 nan 0.000 0.476 181 G N 2.250 111.057 108.800 0.012 0.000 2.225 181 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.267 181 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.267 181 G C 1.295 176.210 174.900 0.026 0.000 1.024 181 G CA 0.893 46.002 45.100 0.016 0.000 0.784 181 G HN 2.226 nan 8.290 nan 0.000 0.507 182 G N -2.307 106.507 108.800 0.023 0.000 2.148 182 G HA2 0.141 4.101 3.960 -0.000 0.000 0.254 182 G HA3 0.141 4.101 3.960 -0.000 0.000 0.254 182 G C 0.330 175.258 174.900 0.046 0.000 0.981 182 G CA 1.624 46.743 45.100 0.031 0.000 0.670 182 G HN 2.473 nan 8.290 nan 0.000 0.528 183 R N -1.755 118.771 120.500 0.045 0.000 2.744 183 R HA 0.851 5.191 4.340 -0.000 0.000 0.279 183 R C 0.030 176.369 176.300 0.064 0.000 0.977 183 R CA -0.164 55.974 56.100 0.062 0.000 0.906 183 R CB 1.422 31.758 30.300 0.059 0.000 1.197 183 R HN 1.356 nan 8.270 nan 0.000 0.463 184 V N 1.954 121.928 119.914 0.099 0.000 2.740 184 V HA 0.325 4.444 4.120 -0.000 0.000 0.303 184 V C 1.092 177.237 176.094 0.085 0.000 1.054 184 V CA 1.475 63.844 62.300 0.116 0.000 1.106 184 V CB 1.535 33.484 31.823 0.210 0.000 0.957 184 V HN 1.276 nan 8.190 nan 0.000 0.486 185 T N 1.760 116.355 114.554 0.069 0.000 3.016 185 T HA 0.556 4.906 4.350 -0.000 0.000 0.271 185 T C 0.381 175.108 174.700 0.045 0.000 0.968 185 T CA 0.381 62.510 62.100 0.048 0.000 0.891 185 T CB 0.317 69.203 68.868 0.031 0.000 1.149 185 T HN 1.446 nan 8.240 nan 0.000 0.524 186 G N 0.248 109.084 108.800 0.060 0.000 2.356 186 G HA2 0.491 4.451 3.960 -0.000 0.000 0.294 186 G HA3 0.491 4.451 3.960 -0.000 0.000 0.294 186 G C -2.265 172.674 174.900 0.063 0.000 1.423 186 G CA -0.486 44.643 45.100 0.049 0.000 0.806 186 G HN 0.308 nan 8.290 nan 0.000 0.527 187 V N 0.741 120.684 119.914 0.047 0.000 2.487 187 V HA 0.474 4.594 4.120 -0.000 0.000 0.298 187 V C -0.156 175.957 176.094 0.031 0.000 1.028 187 V CA -0.671 61.660 62.300 0.052 0.000 0.860 187 V CB 1.494 33.343 31.823 0.044 0.000 0.991 187 V HN 0.750 nan 8.190 nan 0.000 0.427 188 Q N 2.653 122.472 119.800 0.032 0.000 2.256 188 Q HA 0.636 4.976 4.340 -0.000 0.000 0.254 188 Q C 0.086 176.095 176.000 0.015 0.000 0.916 188 Q CA -0.381 55.434 55.803 0.020 0.000 0.932 188 Q CB 1.860 30.610 28.738 0.020 0.000 1.207 188 Q HN 0.930 nan 8.270 nan 0.000 0.426 189 T N -2.420 112.139 114.554 0.009 0.000 2.887 189 T HA 0.576 4.926 4.350 -0.000 0.000 0.292 189 T C 0.751 175.454 174.700 0.006 0.000 1.087 189 T CA -0.335 61.768 62.100 0.004 0.000 1.009 189 T CB 1.309 70.176 68.868 -0.001 0.000 1.203 189 T HN 0.495 nan 8.240 nan 0.000 0.518 190 A N 0.226 123.049 122.820 0.006 0.000 2.084 190 A HA -0.034 4.286 4.320 -0.000 0.000 0.221 190 A C 1.491 179.078 177.584 0.006 0.000 1.161 190 A CA 1.688 53.730 52.037 0.007 0.000 0.653 190 A CB -0.829 18.176 19.000 0.008 0.000 0.802 190 A HN 0.834 nan 8.150 nan 0.000 0.457 191 D N -1.326 119.076 120.400 0.004 0.000 2.363 191 D HA 0.403 5.043 4.640 -0.000 0.000 0.214 191 D C 0.936 177.237 176.300 0.002 0.000 1.093 191 D CA 1.220 55.222 54.000 0.003 0.000 0.837 191 D CB 0.449 41.250 40.800 0.002 0.000 0.948 191 D HN 0.591 nan 8.370 nan 0.000 0.507 192 G N -0.535 108.267 108.800 0.003 0.000 2.331 192 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.402 192 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.402 192 G C -1.252 173.650 174.900 0.004 0.000 1.275 192 G CA -0.840 44.262 45.100 0.003 0.000 1.003 192 G HN -0.003 nan 8.290 nan 0.000 0.500 193 V N 0.841 120.758 119.914 0.005 0.000 2.394 193 V HA 0.540 4.660 4.120 -0.000 0.000 0.282 193 V C 0.703 176.799 176.094 0.004 0.000 1.031 193 V CA -0.514 61.791 62.300 0.007 0.000 0.881 193 V CB 1.341 33.170 31.823 0.010 0.000 0.982 193 V HN 0.606 nan 8.190 nan 0.000 0.451 194 I N 7.906 128.478 120.570 0.005 0.000 2.312 194 I HA 0.306 4.476 4.170 -0.000 0.000 0.291 194 I C -1.987 174.132 176.117 0.004 0.000 1.031 194 I CA -1.822 59.477 61.300 -0.001 0.000 1.293 194 I CB 1.645 39.641 38.000 -0.007 0.000 1.403 194 I HN 0.416 nan 8.210 nan 0.000 0.484 195 P HA 0.257 nan 4.420 nan 0.000 0.271 195 P C -0.950 176.352 177.300 0.003 0.000 1.218 195 P CA -0.174 62.928 63.100 0.003 0.000 0.780 195 P CB 1.351 33.048 31.700 -0.005 0.000 0.901 196 A N 2.021 124.851 122.820 0.015 0.000 2.540 196 A HA 0.374 4.694 4.320 -0.000 0.000 0.297 196 A C 0.303 177.907 177.584 0.033 0.000 1.056 196 A CA -0.541 51.508 52.037 0.021 0.000 0.700 196 A CB 0.882 19.902 19.000 0.035 0.000 1.280 196 A HN 0.420 nan 8.150 nan 0.000 0.398 197 D N 0.632 121.049 120.400 0.028 0.000 2.271 197 D HA 0.180 4.820 4.640 -0.000 0.000 0.206 197 D C 0.149 176.506 176.300 0.095 0.000 0.967 197 D CA 1.413 55.440 54.000 0.044 0.000 0.867 197 D CB 0.501 41.308 40.800 0.013 0.000 0.960 197 D HN 0.539 nan 8.370 nan 0.000 0.509 198 I N 0.745 121.373 120.570 0.096 0.000 2.619 198 I HA 0.223 4.393 4.170 -0.000 0.000 0.292 198 I C -1.051 175.115 176.117 0.082 0.000 1.100 198 I CA -0.778 60.609 61.300 0.144 0.000 1.043 198 I CB 3.275 41.364 38.000 0.149 0.000 1.239 198 I HN -0.404 nan 8.210 nan 0.000 0.420 199 V N 6.295 126.251 119.914 0.070 0.000 2.588 199 V HA 0.498 4.618 4.120 -0.000 0.000 0.304 199 V C -0.555 175.389 176.094 -0.250 0.000 1.042 199 V CA -0.690 61.562 62.300 -0.080 0.000 0.877 199 V CB 2.409 34.206 31.823 -0.043 0.000 0.996 199 V HN 0.391 nan 8.190 nan 0.000 0.425 200 V N 2.966 122.739 119.914 -0.235 0.000 2.407 200 V HA 0.398 4.518 4.120 -0.000 0.000 0.291 200 V C 0.267 176.212 176.094 -0.249 0.000 1.018 200 V CA -0.441 61.714 62.300 -0.243 0.000 0.842 200 V CB 1.811 33.546 31.823 -0.147 0.000 0.996 200 V HN 0.845 nan 8.190 nan 0.000 0.426 201 S N 3.652 119.169 115.700 -0.305 0.000 2.405 201 S HA 0.180 4.650 4.470 -0.000 0.000 0.291 201 S C 0.227 174.813 174.600 -0.022 0.000 1.137 201 S CA -0.384 57.748 58.200 -0.112 0.000 1.061 201 S CB -0.244 62.966 63.200 0.015 0.000 1.001 201 S HN 0.866 nan 8.310 nan 0.000 0.507 202 C N 5.104 124.394 119.300 -0.017 0.000 2.641 202 C HA 0.531 4.990 4.460 -0.000 0.000 0.294 202 C C 1.520 176.526 174.990 0.027 0.000 1.496 202 C CA -0.694 58.331 59.018 0.011 0.000 1.672 202 C CB -1.380 26.353 27.740 -0.012 0.000 2.763 202 C HN 0.930 nan 8.230 nan 0.000 0.545 203 A N 0.366 123.223 122.820 0.061 0.000 2.379 203 A HA 0.558 4.877 4.320 -0.000 0.000 0.236 203 A C 1.479 179.168 177.584 0.174 0.000 1.272 203 A CA 0.833 52.912 52.037 0.069 0.000 0.886 203 A CB -0.543 18.505 19.000 0.080 0.000 0.962 203 A HN 1.090 nan 8.150 nan 0.000 0.504 204 G N 0.570 109.465 108.800 0.159 0.000 2.596 204 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.295 204 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.295 204 G C 0.659 175.694 174.900 0.225 0.000 1.240 204 G CA 0.878 46.092 45.100 0.190 0.000 0.985 204 G HN 1.359 nan 8.290 nan 0.000 0.555 205 F N -1.446 118.639 119.950 0.225 0.000 2.771 205 F HA 0.317 4.844 4.527 -0.000 0.000 0.299 205 F C 1.845 177.658 175.800 0.022 0.000 1.177 205 F CA 0.624 58.661 58.000 0.063 0.000 1.450 205 F CB -0.270 38.688 39.000 -0.070 0.000 1.114 205 F HN 0.365 nan 8.300 nan 0.000 0.587 206 W N 1.558 122.824 121.300 -0.057 0.000 3.256 206 W HA 0.283 4.943 4.660 -0.000 0.000 0.269 206 W C 2.005 178.569 176.519 0.075 0.000 1.310 206 W CA 0.349 57.715 57.345 0.034 0.000 1.673 206 W CB -0.522 28.883 29.460 -0.093 0.000 1.115 206 W HN 0.288 nan 8.180 nan 0.000 0.686 207 G N 1.412 110.386 108.800 0.290 0.000 2.469 207 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.220 207 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.220 207 G C 1.741 176.762 174.900 0.201 0.000 1.136 207 G CA 1.552 46.790 45.100 0.229 0.000 0.759 207 G HN 0.241 nan 8.290 nan 0.000 0.562 208 A N 0.338 123.267 122.820 0.181 0.000 1.968 208 A HA 0.094 4.413 4.320 -0.000 0.000 0.217 208 A C 2.189 179.853 177.584 0.134 0.000 1.169 208 A CA 1.975 54.093 52.037 0.135 0.000 0.638 208 A CB -0.331 18.732 19.000 0.106 0.000 0.812 208 A HN 0.426 nan 8.150 nan 0.000 0.446 209 K N -0.250 120.255 120.400 0.175 0.000 2.057 209 K HA -0.101 4.218 4.320 -0.000 0.000 0.206 209 K C 1.689 178.379 176.600 0.149 0.000 1.050 209 K CA 1.428 57.817 56.287 0.170 0.000 0.935 209 K CB -0.206 32.441 32.500 0.246 0.000 0.715 209 K HN 0.333 nan 8.250 nan 0.000 0.439 210 I N 1.235 121.912 120.570 0.178 0.000 2.226 210 I HA -0.138 4.031 4.170 -0.000 0.000 0.245 210 I C 2.519 178.712 176.117 0.127 0.000 1.100 210 I CA 1.636 63.037 61.300 0.169 0.000 1.374 210 I CB -1.761 36.373 38.000 0.224 0.000 1.057 210 I HN 0.367 nan 8.210 nan 0.000 0.413 211 G N 0.670 109.546 108.800 0.126 0.000 2.422 211 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 211 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 211 G C 1.816 176.707 174.900 -0.016 0.000 1.146 211 G CA 0.879 46.010 45.100 0.051 0.000 0.769 211 G HN 0.489 nan 8.290 nan 0.000 0.547 212 A N 0.642 123.474 122.820 0.020 0.000 2.076 212 A HA 0.038 4.357 4.320 -0.000 0.000 0.220 212 A C 2.357 179.928 177.584 -0.021 0.000 1.160 212 A CA 1.550 53.589 52.037 0.003 0.000 0.653 212 A CB -0.363 18.654 19.000 0.029 0.000 0.801 212 A HN 0.422 nan 8.150 nan 0.000 0.455 213 M N -0.627 118.958 119.600 -0.024 0.000 2.460 213 M HA -0.005 4.475 4.480 -0.000 0.000 0.263 213 M C 1.455 177.695 176.300 -0.099 0.000 1.071 213 M CA 1.282 56.559 55.300 -0.039 0.000 1.096 213 M CB -0.278 32.316 32.600 -0.009 0.000 1.408 213 M HN 0.708 nan 8.290 nan 0.000 0.463 214 I N -4.742 115.727 120.570 -0.169 0.000 4.050 214 I HA 0.510 4.680 4.170 -0.000 0.000 0.327 214 I C 0.806 176.833 176.117 -0.150 0.000 1.473 214 I CA -0.100 61.071 61.300 -0.215 0.000 1.124 214 I CB 0.196 37.933 38.000 -0.439 0.000 1.129 214 I HN 0.256 nan 8.210 nan 0.000 0.428 215 G N 2.574 111.315 108.800 -0.098 0.000 2.176 215 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.252 215 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.252 215 G C 0.017 174.881 174.900 -0.059 0.000 1.024 215 G CA 0.641 45.703 45.100 -0.063 0.000 0.755 215 G HN 0.627 nan 8.290 nan 0.000 0.507 216 M N 0.815 120.372 119.600 -0.071 0.000 2.238 216 M HA 0.723 5.203 4.480 -0.000 0.000 0.350 216 M C 0.449 176.747 176.300 -0.003 0.000 1.138 216 M CA -0.415 54.861 55.300 -0.040 0.000 1.040 216 M CB 1.280 33.845 32.600 -0.059 0.000 1.639 216 M HN 0.677 nan 8.290 nan 0.000 0.451 217 A N 5.127 127.951 122.820 0.006 0.000 2.354 217 A HA 0.539 4.859 4.320 -0.000 0.000 0.281 217 A C -0.780 176.819 177.584 0.025 0.000 1.174 217 A CA -0.530 51.512 52.037 0.008 0.000 0.828 217 A CB 0.070 19.064 19.000 -0.011 0.000 1.099 217 A HN 0.688 nan 8.150 nan 0.000 0.516 218 V N 6.414 126.350 119.914 0.037 0.000 2.313 218 V HA 0.304 4.424 4.120 -0.000 0.000 0.278 218 V C -2.022 174.083 176.094 0.017 0.000 1.017 218 V CA -1.147 61.189 62.300 0.061 0.000 0.823 218 V CB 1.547 33.437 31.823 0.111 0.000 1.010 218 V HN 0.842 nan 8.190 nan 0.000 0.443 219 P HA 0.261 nan 4.420 nan 0.000 0.225 219 P C -0.843 176.426 177.300 -0.053 0.000 1.813 219 P CA -0.179 62.830 63.100 -0.153 0.000 1.013 219 P CB 0.033 31.419 31.700 -0.524 0.000 1.961 220 L N -0.104 121.141 121.223 0.037 0.000 2.323 220 L HA 0.835 5.175 4.340 -0.000 0.000 0.265 220 L C -0.972 175.953 176.870 0.091 0.000 1.012 220 L CA -1.339 53.557 54.840 0.094 0.000 0.820 220 L CB 1.449 43.595 42.059 0.145 0.000 1.334 220 L HN -0.122 nan 8.230 nan 0.000 0.427 221 L N 2.464 123.754 121.223 0.112 0.000 2.356 221 L HA 0.777 5.116 4.340 -0.000 0.000 0.277 221 L C -2.607 174.313 176.870 0.084 0.000 0.996 221 L CA -1.773 53.111 54.840 0.073 0.000 0.822 221 L CB 1.882 43.964 42.059 0.039 0.000 1.256 221 L HN 0.482 nan 8.230 nan 0.000 0.413 222 P HA 0.309 nan 4.420 nan 0.000 0.271 222 P C -1.190 176.040 177.300 -0.117 0.000 1.226 222 P CA 0.183 63.250 63.100 -0.054 0.000 0.765 222 P CB 0.591 32.188 31.700 -0.172 0.000 0.835 223 L N 1.931 123.088 121.223 -0.109 0.000 2.393 223 L HA 0.760 5.099 4.340 -0.000 0.000 0.260 223 L C -0.045 176.758 176.870 -0.112 0.000 1.002 223 L CA -1.178 53.538 54.840 -0.207 0.000 0.818 223 L CB 2.322 44.139 42.059 -0.403 0.000 1.369 223 L HN 0.273 nan 8.230 nan 0.000 0.412 224 A N 0.580 123.325 122.820 -0.126 0.000 2.303 224 A HA 0.688 5.008 4.320 -0.000 0.000 0.317 224 A C -1.361 176.374 177.584 0.251 0.000 1.149 224 A CA -0.179 51.889 52.037 0.052 0.000 0.822 224 A CB 0.817 19.799 19.000 -0.030 0.000 1.131 224 A HN 0.781 nan 8.150 nan 0.000 0.493 225 H N 0.767 120.022 119.070 0.309 0.000 2.759 225 H HA 0.427 4.983 4.556 -0.000 0.000 0.354 225 H C -0.889 174.570 175.328 0.219 0.000 1.074 225 H CA -0.444 55.918 56.048 0.522 0.000 1.226 225 H CB 1.041 31.285 29.762 0.803 0.000 1.648 225 H HN 0.657 nan 8.280 nan 0.000 0.529 226 Q N 3.484 123.341 119.800 0.096 0.000 2.288 226 Q HA 0.209 4.549 4.340 -0.000 0.000 0.254 226 Q C -1.228 174.421 176.000 -0.584 0.000 0.932 226 Q CA -0.393 55.252 55.803 -0.262 0.000 0.902 226 Q CB 1.634 30.384 28.738 0.019 0.000 1.203 226 Q HN 0.598 nan 8.270 nan 0.000 0.415 227 Y N 1.519 121.239 120.300 -0.966 0.000 2.421 227 Y HA 0.466 5.016 4.550 -0.000 0.000 0.339 227 Y C -1.456 173.918 175.900 -0.876 0.000 0.996 227 Y CA -0.764 56.808 58.100 -0.881 0.000 1.046 227 Y CB 1.361 39.289 38.460 -0.888 0.000 1.226 227 Y HN 0.389 nan 8.280 nan 0.000 0.445 228 V N 6.148 125.371 119.914 -1.152 0.000 2.735 228 V HA 0.507 4.626 4.120 -0.000 0.000 0.310 228 V C -0.955 174.719 176.094 -0.701 0.000 1.061 228 V CA -1.140 60.577 62.300 -0.972 0.000 0.913 228 V CB 2.187 33.309 31.823 -1.168 0.000 1.005 228 V HN 0.673 nan 8.190 nan 0.000 0.428 229 K N 1.899 122.033 120.400 -0.445 0.000 2.207 229 K HA 0.641 4.960 4.320 -0.000 0.000 0.255 229 K C -0.035 176.477 176.600 -0.147 0.000 0.941 229 K CA -0.558 55.595 56.287 -0.223 0.000 0.825 229 K CB 2.126 34.522 32.500 -0.174 0.000 1.119 229 K HN 0.891 nan 8.250 nan 0.000 0.430 230 T N -1.587 112.973 114.554 0.010 0.000 2.847 230 T HA 0.209 4.558 4.350 -0.000 0.000 0.279 230 T C 0.775 175.501 174.700 0.043 0.000 0.984 230 T CA -0.791 61.339 62.100 0.049 0.000 0.988 230 T CB 0.912 69.921 68.868 0.236 0.000 1.040 230 T HN 0.641 nan 8.240 nan 0.000 0.528 231 T N -0.929 113.653 114.554 0.047 0.000 2.726 231 T HA 0.366 4.716 4.350 -0.000 0.000 0.294 231 T C -2.630 172.127 174.700 0.096 0.000 1.013 231 T CA -1.420 60.712 62.100 0.053 0.000 0.996 231 T CB -0.771 68.124 68.868 0.045 0.000 1.016 231 T HN 0.457 nan 8.240 nan 0.000 0.529 232 P HA 0.197 nan 4.420 nan 0.000 0.264 232 P C -0.759 176.607 177.300 0.109 0.000 1.193 232 P CA -0.226 62.930 63.100 0.094 0.000 0.763 232 P CB 0.271 32.010 31.700 0.066 0.000 0.810 233 V N 7.924 127.920 119.914 0.137 0.000 2.406 233 V HA 0.100 4.220 4.120 -0.000 0.000 0.272 233 V C -1.245 174.904 176.094 0.093 0.000 1.043 233 V CA -1.212 61.169 62.300 0.134 0.000 0.915 233 V CB 1.068 33.005 31.823 0.190 0.000 0.988 233 V HN 0.545 nan 8.190 nan 0.000 0.466 234 P HA -0.200 nan 4.420 nan 0.000 0.216 234 P C 1.530 178.855 177.300 0.042 0.000 1.153 234 P CA 1.778 64.907 63.100 0.049 0.000 0.858 234 P CB 0.234 31.957 31.700 0.038 0.000 0.789 235 A N -0.655 122.189 122.820 0.039 0.000 2.070 235 A HA -0.193 4.126 4.320 -0.000 0.000 0.220 235 A C 2.002 179.610 177.584 0.041 0.000 1.159 235 A CA 1.331 53.386 52.037 0.030 0.000 0.656 235 A CB -0.840 18.170 19.000 0.016 0.000 0.800 235 A HN 0.169 nan 8.150 nan 0.000 0.453 236 Q N -0.484 119.357 119.800 0.068 0.000 2.360 236 Q HA 0.035 4.375 4.340 -0.000 0.000 0.202 236 Q C 0.524 176.554 176.000 0.050 0.000 0.915 236 Q CA -0.021 55.826 55.803 0.073 0.000 0.943 236 Q CB -0.029 28.786 28.738 0.128 0.000 1.064 236 Q HN 0.847 nan 8.270 nan 0.000 0.511 237 Q N 0.172 119.998 119.800 0.043 0.000 2.263 237 Q HA 0.124 4.464 4.340 -0.000 0.000 0.289 237 Q C 0.596 176.609 176.000 0.022 0.000 1.061 237 Q CA 1.074 56.897 55.803 0.033 0.000 0.927 237 Q CB 0.066 28.822 28.738 0.029 0.000 1.154 237 Q HN 0.524 nan 8.270 nan 0.000 0.378 238 G N 3.946 112.757 108.800 0.020 0.000 2.184 238 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.264 238 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.264 238 G C 0.756 175.660 174.900 0.007 0.000 0.975 238 G CA 0.564 45.671 45.100 0.012 0.000 0.642 238 G HN 0.749 nan 8.290 nan 0.000 0.536 239 R N -0.287 120.217 120.500 0.007 0.000 2.112 239 R HA 0.109 4.449 4.340 -0.000 0.000 0.216 239 R C 0.541 176.834 176.300 -0.011 0.000 1.080 239 R CA 0.959 57.057 56.100 -0.003 0.000 0.996 239 R CB -0.047 30.250 30.300 -0.005 0.000 0.902 239 R HN 0.405 nan 8.270 nan 0.000 0.449 240 N N 0.813 119.508 118.700 -0.008 0.000 2.404 240 N HA 0.128 4.868 4.740 -0.000 0.000 0.297 240 N C -1.105 174.400 175.510 -0.008 0.000 1.163 240 N CA -0.550 52.490 53.050 -0.017 0.000 0.864 240 N CB 0.872 39.342 38.487 -0.029 0.000 1.247 240 N HN -0.118 nan 8.380 nan 0.000 0.510 241 D N 1.174 121.566 120.400 -0.013 0.000 2.455 241 D HA 0.026 4.666 4.640 -0.000 0.000 0.241 241 D C 0.316 176.616 176.300 0.001 0.000 1.138 241 D CA 0.401 54.397 54.000 -0.006 0.000 0.877 241 D CB 0.683 41.476 40.800 -0.011 0.000 1.187 241 D HN 0.126 nan 8.370 nan 0.000 0.451 242 Q N 1.843 121.648 119.800 0.008 0.000 2.227 242 Q HA 0.275 4.615 4.340 -0.000 0.000 0.245 242 Q C -1.335 174.675 176.000 0.016 0.000 0.926 242 Q CA -1.269 54.544 55.803 0.017 0.000 0.895 242 Q CB 1.029 29.778 28.738 0.018 0.000 1.230 242 Q HN 0.336 nan 8.270 nan 0.000 0.450 243 P HA 0.183 nan 4.420 nan 0.000 0.259 243 P C 0.004 177.344 177.300 0.067 0.000 1.233 243 P CA 0.335 63.459 63.100 0.040 0.000 0.827 243 P CB 0.870 32.591 31.700 0.036 0.000 1.154 244 N N 0.074 118.810 118.700 0.060 0.000 2.299 244 N HA 0.146 4.885 4.740 -0.000 0.000 0.246 244 N C 0.666 176.179 175.510 0.005 0.000 1.254 244 N CA -0.003 53.100 53.050 0.088 0.000 0.879 244 N CB 1.073 39.631 38.487 0.119 0.000 1.214 244 N HN 0.070 nan 8.380 nan 0.000 0.510 245 G N 0.441 109.235 108.800 -0.010 0.000 2.614 245 G HA2 0.481 4.441 3.960 -0.000 0.000 0.239 245 G HA3 0.481 4.441 3.960 -0.000 0.000 0.239 245 G C -0.454 174.398 174.900 -0.080 0.000 1.240 245 G CA 0.002 45.076 45.100 -0.043 0.000 0.842 245 G HN 0.212 nan 8.290 nan 0.000 0.584 246 A N 1.408 124.171 122.820 -0.095 0.000 2.566 246 A HA 0.731 5.051 4.320 -0.000 0.000 0.297 246 A C 0.328 177.855 177.584 -0.095 0.000 1.059 246 A CA -0.686 51.280 52.037 -0.118 0.000 0.691 246 A CB 1.555 20.461 19.000 -0.156 0.000 1.282 246 A HN 0.668 nan 8.150 nan 0.000 0.401 247 R N 0.762 121.209 120.500 -0.089 0.000 2.470 247 R HA 0.314 4.654 4.340 -0.000 0.000 0.210 247 R C -0.030 176.228 176.300 -0.069 0.000 0.873 247 R CA 0.030 56.087 56.100 -0.072 0.000 1.015 247 R CB 0.246 30.507 30.300 -0.065 0.000 1.348 247 R HN 0.657 nan 8.270 nan 0.000 0.650 248 L N 3.241 124.408 121.223 -0.094 0.000 2.439 248 L HA 0.289 4.628 4.340 -0.000 0.000 0.261 248 L C -2.053 174.843 176.870 0.044 0.000 1.153 248 L CA -2.105 52.675 54.840 -0.098 0.000 0.808 248 L CB 0.330 42.207 42.059 -0.305 0.000 1.126 248 L HN -0.131 nan 8.230 nan 0.000 0.460 249 P HA 0.031 nan 4.420 nan 0.000 0.267 249 P C -0.382 177.082 177.300 0.273 0.000 1.200 249 P CA -0.157 63.064 63.100 0.202 0.000 0.772 249 P CB 0.207 32.071 31.700 0.272 0.000 0.855 250 I N -0.190 120.462 120.570 0.138 0.000 2.872 250 I HA 0.156 4.326 4.170 -0.000 0.000 0.291 250 I C -0.179 176.163 176.117 0.375 0.000 1.216 250 I CA -0.129 61.277 61.300 0.177 0.000 1.424 250 I CB -0.115 37.824 38.000 -0.102 0.000 1.351 250 I HN 0.091 nan 8.210 nan 0.000 0.592 251 L N 6.226 127.759 121.223 0.515 0.000 2.349 251 L HA 0.547 4.887 4.340 -0.000 0.000 0.278 251 L C -0.495 176.739 176.870 0.607 0.000 0.996 251 L CA -0.339 54.777 54.840 0.459 0.000 0.825 251 L CB 1.456 43.633 42.059 0.197 0.000 1.243 251 L HN 0.666 nan 8.230 nan 0.000 0.412 252 R N 2.284 123.045 120.500 0.435 0.000 2.460 252 R HA 0.415 4.754 4.340 -0.000 0.000 0.303 252 R C -1.099 175.366 176.300 0.275 0.000 0.968 252 R CA -0.739 55.521 56.100 0.265 0.000 0.889 252 R CB 0.877 31.033 30.300 -0.239 0.000 1.123 252 R HN 0.641 nan 8.270 nan 0.000 0.455 253 H N 2.627 121.831 119.070 0.224 0.000 2.348 253 H HA 0.157 4.713 4.556 -0.000 0.000 0.232 253 H C 0.064 175.499 175.328 0.178 0.000 1.419 253 H CA -0.242 55.922 56.048 0.193 0.000 1.416 253 H CB 0.446 30.397 29.762 0.316 0.000 1.510 253 H HN 0.639 nan 8.280 nan 0.000 0.507 254 Q N 0.742 120.629 119.800 0.144 0.000 2.224 254 Q HA -0.106 4.234 4.340 -0.000 0.000 0.203 254 Q C 0.718 176.763 176.000 0.075 0.000 0.970 254 Q CA 1.141 56.992 55.803 0.079 0.000 0.865 254 Q CB 0.431 29.068 28.738 -0.168 0.000 0.922 254 Q HN 0.574 nan 8.270 nan 0.000 0.445 255 D N 0.493 120.906 120.400 0.021 0.000 2.265 255 D HA -0.125 4.515 4.640 -0.000 0.000 0.208 255 D C 1.177 177.402 176.300 -0.125 0.000 0.977 255 D CA 1.064 55.053 54.000 -0.018 0.000 0.871 255 D CB 0.158 40.981 40.800 0.039 0.000 0.925 255 D HN 0.197 nan 8.370 nan 0.000 0.485 256 Q N 0.192 119.791 119.800 -0.334 0.000 2.155 256 Q HA 0.054 4.394 4.340 -0.000 0.000 0.220 256 Q C -0.510 175.436 176.000 -0.090 0.000 0.819 256 Q CA -0.123 55.517 55.803 -0.272 0.000 1.032 256 Q CB 1.021 29.470 28.738 -0.483 0.000 1.151 256 Q HN 0.056 nan 8.270 nan 0.000 0.487 257 D N 0.591 121.030 120.400 0.065 0.000 2.800 257 D HA -0.180 4.460 4.640 -0.000 0.000 0.232 257 D C -0.737 175.667 176.300 0.175 0.000 1.137 257 D CA 0.752 54.869 54.000 0.195 0.000 0.718 257 D CB -1.186 39.647 40.800 0.055 0.000 1.084 257 D HN 0.273 nan 8.370 nan 0.000 0.432 258 L N -0.072 121.282 121.223 0.217 0.000 2.354 258 L HA 0.660 5.000 4.340 -0.000 0.000 0.264 258 L C -0.080 176.900 176.870 0.183 0.000 1.008 258 L CA -1.221 53.638 54.840 0.032 0.000 0.819 258 L CB 1.743 43.765 42.059 -0.062 0.000 1.339 258 L HN 0.043 nan 8.230 nan 0.000 0.420 259 Y N -0.269 119.968 120.300 -0.106 0.000 2.609 259 Y HA 0.788 5.338 4.550 -0.000 0.000 0.342 259 Y C -1.680 174.052 175.900 -0.281 0.000 1.058 259 Y CA -1.573 56.543 58.100 0.028 0.000 1.055 259 Y CB 1.224 39.932 38.460 0.413 0.000 1.292 259 Y HN 0.329 nan 8.280 nan 0.000 0.476 260 Y N 0.430 121.113 120.300 0.639 0.000 2.562 260 Y HA 0.772 5.321 4.550 -0.000 0.000 0.345 260 Y C -0.515 175.663 175.900 0.464 0.000 1.045 260 Y CA -1.345 57.068 58.100 0.521 0.000 1.028 260 Y CB 2.536 41.299 38.460 0.506 0.000 1.297 260 Y HN 0.800 nan 8.280 nan 0.000 0.463 261 R N -0.553 120.241 120.500 0.490 0.000 2.764 261 R HA 0.660 5.000 4.340 -0.000 0.000 0.270 261 R C -1.627 174.553 176.300 -0.200 0.000 1.014 261 R CA -1.215 54.975 56.100 0.151 0.000 0.904 261 R CB 1.897 32.226 30.300 0.048 0.000 1.236 261 R HN 0.585 nan 8.270 nan 0.000 0.466 262 E N 0.966 120.941 120.200 -0.375 0.000 2.313 262 E HA 0.221 4.571 4.350 -0.000 0.000 0.272 262 E C -0.760 175.605 176.600 -0.392 0.000 1.038 262 E CA -0.619 55.474 56.400 -0.512 0.000 0.863 262 E CB 0.948 30.424 29.700 -0.372 0.000 1.060 262 E HN 0.403 nan 8.360 nan 0.000 0.402 263 H N 1.977 120.978 119.070 -0.116 0.000 2.675 263 H HA 0.215 4.771 4.556 -0.000 0.000 0.258 263 H C 0.704 176.018 175.328 -0.024 0.000 1.271 263 H CA 0.164 56.196 56.048 -0.026 0.000 1.462 263 H CB 0.909 30.691 29.762 0.034 0.000 1.467 263 H HN 0.882 nan 8.280 nan 0.000 0.501 264 G N 3.671 112.496 108.800 0.043 0.000 2.591 264 G HA2 -0.404 3.555 3.960 -0.000 0.000 0.298 264 G HA3 -0.404 3.555 3.960 -0.000 0.000 0.298 264 G C 0.817 175.733 174.900 0.028 0.000 1.195 264 G CA 0.790 45.908 45.100 0.030 0.000 0.989 264 G HN 0.626 nan 8.290 nan 0.000 0.551 265 D N 1.362 121.795 120.400 0.055 0.000 2.319 265 D HA 0.213 4.853 4.640 -0.000 0.000 0.230 265 D C 1.144 177.521 176.300 0.129 0.000 1.094 265 D CA 0.321 54.367 54.000 0.078 0.000 0.856 265 D CB 0.000 40.841 40.800 0.068 0.000 0.915 265 D HN 0.659 nan 8.370 nan 0.000 0.517 266 R N -0.888 119.691 120.500 0.131 0.000 2.758 266 R HA 0.507 4.847 4.340 -0.000 0.000 0.265 266 R C -0.990 175.438 176.300 0.213 0.000 1.016 266 R CA -0.807 55.408 56.100 0.192 0.000 1.040 266 R CB 1.125 31.511 30.300 0.144 0.000 1.152 266 R HN -0.020 nan 8.270 nan 0.000 0.503 267 Y N -0.850 119.570 120.300 0.199 0.000 2.420 267 Y HA 0.466 5.016 4.550 -0.000 0.000 0.334 267 Y C 0.684 176.749 175.900 0.275 0.000 1.094 267 Y CA -0.262 57.994 58.100 0.260 0.000 1.126 267 Y CB 2.239 40.852 38.460 0.256 0.000 1.217 267 Y HN 0.683 nan 8.280 nan 0.000 0.462 268 G N 3.485 112.544 108.800 0.432 0.000 2.379 268 G HA2 0.640 4.600 3.960 -0.000 0.000 0.327 268 G HA3 0.640 4.600 3.960 -0.000 0.000 0.327 268 G C -1.322 173.648 174.900 0.116 0.000 1.145 268 G CA -0.579 44.655 45.100 0.224 0.000 0.905 268 G HN 0.554 nan 8.290 nan 0.000 0.466 269 I N 1.650 121.996 120.570 -0.374 0.000 2.447 269 I HA 0.439 4.608 4.170 -0.000 0.000 0.287 269 I C 0.532 176.283 176.117 -0.611 0.000 1.023 269 I CA -0.752 60.408 61.300 -0.234 0.000 1.083 269 I CB 2.400 40.511 38.000 0.185 0.000 1.245 269 I HN 0.555 nan 8.210 nan 0.000 0.434 270 G N 3.026 111.365 108.800 -0.768 0.000 2.356 270 G HA2 0.533 4.493 3.960 -0.000 0.000 0.322 270 G HA3 0.533 4.493 3.960 -0.000 0.000 0.322 270 G C -0.977 173.487 174.900 -0.727 0.000 1.125 270 G CA -0.348 44.154 45.100 -0.996 0.000 0.885 270 G HN 0.464 nan 8.290 nan 0.000 0.467 271 S N 1.161 116.684 115.700 -0.295 0.000 2.561 271 S HA 0.460 4.930 4.470 -0.000 0.000 0.303 271 S C -0.429 174.154 174.600 -0.028 0.000 1.110 271 S CA -0.724 57.434 58.200 -0.069 0.000 1.034 271 S CB 0.776 64.118 63.200 0.237 0.000 1.010 271 S HN 0.523 nan 8.310 nan 0.000 0.482 272 Y N 2.512 122.797 120.300 -0.024 0.000 2.524 272 Y HA 0.405 4.955 4.550 -0.000 0.000 0.266 272 Y C 1.444 177.116 175.900 -0.381 0.000 1.180 272 Y CA -0.218 57.658 58.100 -0.372 0.000 1.244 272 Y CB 0.392 38.408 38.460 -0.740 0.000 1.125 272 Y HN 0.760 nan 8.280 nan 0.000 0.524 273 A N 1.595 124.400 122.820 -0.025 0.000 3.260 273 A HA 0.265 4.585 4.320 -0.000 0.000 0.268 273 A C -0.161 177.501 177.584 0.130 0.000 1.491 273 A CA -0.203 51.846 52.037 0.020 0.000 1.181 273 A CB -1.227 17.786 19.000 0.023 0.000 1.137 273 A HN 0.538 nan 8.150 nan 0.000 0.642 274 H N -1.325 117.868 119.070 0.205 0.000 3.008 274 H HA 0.503 5.059 4.556 -0.000 0.000 0.354 274 H C -0.376 175.084 175.328 0.220 0.000 1.252 274 H CA -1.153 55.004 56.048 0.183 0.000 1.117 274 H CB 0.567 30.434 29.762 0.175 0.000 1.857 274 H HN 0.452 nan 8.280 nan 0.000 0.547 275 R N 0.736 121.417 120.500 0.302 0.000 2.638 275 R HA 0.144 4.484 4.340 -0.000 0.000 0.268 275 R C -2.527 173.867 176.300 0.156 0.000 1.006 275 R CA -1.118 55.088 56.100 0.177 0.000 1.088 275 R CB -0.628 29.723 30.300 0.085 0.000 0.950 275 R HN 0.279 nan 8.270 nan 0.000 0.419 276 P HA -0.037 nan 4.420 nan 0.000 0.266 276 P C -0.604 176.541 177.300 -0.258 0.000 1.195 276 P CA 0.398 63.289 63.100 -0.349 0.000 0.768 276 P CB 0.498 32.056 31.700 -0.238 0.000 0.838 277 M N 3.813 123.191 119.600 -0.370 0.000 2.236 277 M HA 0.261 4.741 4.480 -0.000 0.000 0.228 277 M C -2.447 173.714 176.300 -0.232 0.000 0.906 277 M CA -1.916 53.249 55.300 -0.224 0.000 0.761 277 M CB 1.779 34.274 32.600 -0.176 0.000 1.439 277 M HN 0.106 nan 8.290 nan 0.000 0.394 278 P HA 0.173 nan 4.420 nan 0.000 0.271 278 P C -0.703 176.517 177.300 -0.133 0.000 1.216 278 P CA -0.150 62.854 63.100 -0.161 0.000 0.776 278 P CB 1.186 32.813 31.700 -0.122 0.000 0.881 279 V N 2.763 122.594 119.914 -0.138 0.000 2.540 279 V HA 0.221 4.341 4.120 -0.000 0.000 0.302 279 V C 0.034 176.068 176.094 -0.100 0.000 1.035 279 V CA -0.495 61.723 62.300 -0.137 0.000 0.873 279 V CB 1.856 33.545 31.823 -0.223 0.000 0.992 279 V HN 0.488 nan 8.190 nan 0.000 0.428 280 D N 3.364 123.727 120.400 -0.061 0.000 2.380 280 D HA 0.175 4.814 4.640 -0.000 0.000 0.230 280 D C 1.101 177.398 176.300 -0.006 0.000 1.154 280 D CA -0.260 53.726 54.000 -0.023 0.000 0.859 280 D CB 1.873 42.669 40.800 -0.006 0.000 1.045 280 D HN 0.389 nan 8.370 nan 0.000 0.495 281 V N 1.596 121.516 119.914 0.009 0.000 2.594 281 V HA -0.148 3.972 4.120 -0.000 0.000 0.253 281 V C 1.225 177.392 176.094 0.123 0.000 1.069 281 V CA 1.306 63.632 62.300 0.044 0.000 1.082 281 V CB -0.307 31.545 31.823 0.049 0.000 0.680 281 V HN 0.347 nan 8.190 nan 0.000 0.469 282 D N 1.427 121.890 120.400 0.105 0.000 2.371 282 D HA -0.064 4.576 4.640 -0.000 0.000 0.221 282 D C 2.215 178.575 176.300 0.100 0.000 0.986 282 D CA 1.758 55.827 54.000 0.114 0.000 0.899 282 D CB 0.048 40.900 40.800 0.087 0.000 0.902 282 D HN 0.803 nan 8.370 nan 0.000 0.530 283 T N -2.527 112.076 114.554 0.083 0.000 3.060 283 T HA 0.139 4.489 4.350 -0.000 0.000 0.249 283 T C 2.082 176.841 174.700 0.099 0.000 1.079 283 T CA -0.169 61.974 62.100 0.072 0.000 1.013 283 T CB -0.163 68.730 68.868 0.041 0.000 0.975 283 T HN 0.054 nan 8.240 nan 0.000 0.518 284 L N 1.258 122.567 121.223 0.144 0.000 2.131 284 L HA 0.244 4.583 4.340 -0.000 0.000 0.210 284 L C 1.600 178.623 176.870 0.255 0.000 1.092 284 L CA 0.963 55.929 54.840 0.210 0.000 0.759 284 L CB -1.211 41.011 42.059 0.272 0.000 0.903 284 L HN 0.703 nan 8.230 nan 0.000 0.435 285 G N -0.581 108.347 108.800 0.213 0.000 2.719 285 G HA2 0.010 3.970 3.960 -0.000 0.000 0.686 285 G HA3 0.010 3.970 3.960 -0.000 0.000 0.686 285 G C -0.414 174.635 174.900 0.250 0.000 1.201 285 G CA -0.623 44.572 45.100 0.158 0.000 0.768 285 G HN 0.423 nan 8.290 nan 0.000 0.629 286 A N 1.449 124.372 122.820 0.172 0.000 2.366 286 A HA 0.673 4.992 4.320 -0.000 0.000 0.272 286 A C -0.315 177.389 177.584 0.201 0.000 1.135 286 A CA -0.186 51.979 52.037 0.213 0.000 0.804 286 A CB 0.292 19.369 19.000 0.128 0.000 1.064 286 A HN 1.117 nan 8.150 nan 0.000 0.499 287 Y N 1.529 121.881 120.300 0.085 0.000 2.350 287 Y HA 0.430 4.979 4.550 -0.000 0.000 0.340 287 Y C 0.992 176.933 175.900 0.070 0.000 1.006 287 Y CA -0.216 57.935 58.100 0.085 0.000 1.166 287 Y CB 1.072 39.573 38.460 0.069 0.000 1.168 287 Y HN 0.815 nan 8.280 nan 0.000 0.502 288 A N 7.314 130.226 122.820 0.153 0.000 2.520 288 A HA 0.164 4.483 4.320 -0.000 0.000 0.245 288 A C -1.346 176.323 177.584 0.141 0.000 1.072 288 A CA -1.064 51.041 52.037 0.113 0.000 0.761 288 A CB 0.008 19.049 19.000 0.069 0.000 1.004 288 A HN 0.620 nan 8.150 nan 0.000 0.499 289 P HA -0.227 nan 4.420 nan 0.000 0.218 289 P C 1.079 178.429 177.300 0.083 0.000 1.148 289 P CA 1.554 64.705 63.100 0.086 0.000 0.822 289 P CB 0.093 31.821 31.700 0.047 0.000 0.784 290 E N 0.559 120.802 120.200 0.071 0.000 2.338 290 E HA -0.123 4.226 4.350 -0.000 0.000 0.197 290 E C 1.326 177.971 176.600 0.075 0.000 1.007 290 E CA 1.754 58.188 56.400 0.057 0.000 0.849 290 E CB -1.371 28.351 29.700 0.037 0.000 0.774 290 E HN 0.329 nan 8.360 nan 0.000 0.506 291 T N -1.346 113.280 114.554 0.122 0.000 3.081 291 T HA 0.188 4.538 4.350 -0.000 0.000 0.250 291 T C 0.883 175.761 174.700 0.297 0.000 1.100 291 T CA -0.232 61.966 62.100 0.162 0.000 1.038 291 T CB -0.027 68.946 68.868 0.176 0.000 0.962 291 T HN -0.057 nan 8.240 nan 0.000 0.516 292 V N 3.567 123.629 119.914 0.247 0.000 2.508 292 V HA 0.532 4.652 4.120 -0.000 0.000 0.281 292 V C 0.478 176.652 176.094 0.135 0.000 1.041 292 V CA -0.035 62.397 62.300 0.221 0.000 1.016 292 V CB 0.265 32.157 31.823 0.115 0.000 0.984 292 V HN 0.815 nan 8.190 nan 0.000 0.478 293 S N 2.420 118.203 115.700 0.138 0.000 2.705 293 S HA 0.397 4.867 4.470 -0.000 0.000 0.280 293 S C 0.731 175.328 174.600 -0.006 0.000 1.174 293 S CA -0.351 57.886 58.200 0.062 0.000 0.823 293 S CB 1.621 64.869 63.200 0.081 0.000 1.162 293 S HN 0.649 nan 8.310 nan 0.000 0.487 294 E N 0.190 120.329 120.200 -0.101 0.000 2.114 294 E HA -0.261 4.089 4.350 -0.000 0.000 0.199 294 E C 0.648 177.015 176.600 -0.388 0.000 1.008 294 E CA 1.684 57.911 56.400 -0.288 0.000 0.810 294 E CB -0.230 29.217 29.700 -0.422 0.000 0.739 294 E HN 0.704 nan 8.360 nan 0.000 0.456 295 H N -2.226 116.831 119.070 -0.021 0.000 2.549 295 H HA 0.120 4.676 4.556 -0.000 0.000 0.279 295 H C -0.266 175.108 175.328 0.077 0.000 1.018 295 H CA 0.291 56.322 56.048 -0.028 0.000 1.175 295 H CB 0.288 30.046 29.762 -0.007 0.000 1.485 295 H HN 0.158 nan 8.280 nan 0.000 0.543 296 H N 1.264 120.379 119.070 0.076 0.000 2.974 296 H HA 0.382 4.938 4.556 -0.000 0.000 0.285 296 H C -0.681 174.744 175.328 0.161 0.000 1.227 296 H CA -0.535 55.611 56.048 0.163 0.000 1.569 296 H CB 0.162 30.030 29.762 0.177 0.000 1.648 296 H HN 0.138 nan 8.280 nan 0.000 0.521 297 M N 2.218 121.703 119.600 -0.192 0.000 2.603 297 M HA 0.463 4.943 4.480 -0.000 0.000 0.275 297 M C -2.614 173.287 176.300 -0.665 0.000 1.226 297 M CA -2.107 52.936 55.300 -0.428 0.000 0.870 297 M CB 2.163 34.659 32.600 -0.174 0.000 1.716 297 M HN -0.025 nan 8.290 nan 0.000 0.482 298 P HA -0.165 nan 4.420 nan 0.000 0.216 298 P C 1.406 178.727 177.300 0.036 0.000 1.150 298 P CA 2.366 65.203 63.100 -0.438 0.000 0.843 298 P CB -0.029 31.717 31.700 0.076 0.000 0.787 299 S N -1.809 113.993 115.700 0.170 0.000 2.515 299 S HA -0.000 4.470 4.470 -0.000 0.000 0.231 299 S C 0.898 175.584 174.600 0.144 0.000 0.987 299 S CA 0.188 58.580 58.200 0.320 0.000 0.936 299 S CB -0.541 62.995 63.200 0.560 0.000 0.766 299 S HN 0.078 nan 8.310 nan 0.000 0.528 300 R N 0.893 121.401 120.500 0.013 0.000 2.295 300 R HA 0.599 4.939 4.340 -0.000 0.000 0.324 300 R C -0.926 175.398 176.300 0.041 0.000 0.968 300 R CA -0.400 55.678 56.100 -0.037 0.000 0.837 300 R CB 1.293 31.449 30.300 -0.241 0.000 1.133 300 R HN 0.278 nan 8.270 nan 0.000 0.450 301 L N 1.589 122.864 121.223 0.086 0.000 2.358 301 L HA 0.319 4.659 4.340 -0.000 0.000 0.268 301 L C 0.101 177.043 176.870 0.120 0.000 1.032 301 L CA -1.138 53.749 54.840 0.079 0.000 0.805 301 L CB 1.048 43.126 42.059 0.032 0.000 1.253 301 L HN 0.406 nan 8.230 nan 0.000 0.452 302 D N 0.976 121.434 120.400 0.097 0.000 2.525 302 D HA -0.044 4.596 4.640 -0.000 0.000 0.235 302 D C -0.257 176.127 176.300 0.140 0.000 1.137 302 D CA 0.332 54.399 54.000 0.112 0.000 0.868 302 D CB 0.367 41.205 40.800 0.064 0.000 1.180 302 D HN 0.103 nan 8.370 nan 0.000 0.465 303 F N 2.215 122.153 119.950 -0.020 0.000 2.572 303 F HA 0.074 4.600 4.527 -0.000 0.000 0.370 303 F C 0.824 176.572 175.800 -0.087 0.000 1.103 303 F CA -0.656 57.294 58.000 -0.083 0.000 1.286 303 F CB 0.340 39.275 39.000 -0.108 0.000 1.105 303 F HN 0.115 nan 8.300 nan 0.000 0.583 304 T N 6.340 120.557 114.554 -0.563 0.000 3.042 304 T HA 0.265 4.614 4.350 -0.000 0.000 0.356 304 T C 0.977 175.126 174.700 -0.918 0.000 1.233 304 T CA -0.712 61.043 62.100 -0.576 0.000 1.038 304 T CB 0.555 69.237 68.868 -0.311 0.000 1.089 304 T HN 0.692 nan 8.240 nan 0.000 0.531 305 L N 2.736 123.375 121.223 -0.974 0.000 2.079 305 L HA 0.008 4.347 4.340 -0.000 0.000 0.210 305 L C 2.652 179.339 176.870 -0.305 0.000 1.081 305 L CA 2.701 57.079 54.840 -0.769 0.000 0.752 305 L CB -0.991 40.859 42.059 -0.348 0.000 0.896 305 L HN 0.777 nan 8.230 nan 0.000 0.433 306 E N -0.785 119.279 120.200 -0.228 0.000 2.160 306 E HA -0.267 4.083 4.350 -0.000 0.000 0.195 306 E C 1.842 178.402 176.600 -0.067 0.000 0.991 306 E CA 1.678 58.014 56.400 -0.107 0.000 0.810 306 E CB -0.962 28.684 29.700 -0.089 0.000 0.742 306 E HN 0.726 nan 8.360 nan 0.000 0.466 307 D N -1.584 118.754 120.400 -0.104 0.000 2.317 307 D HA 0.004 4.644 4.640 -0.000 0.000 0.211 307 D C 1.351 177.706 176.300 0.092 0.000 0.966 307 D CA 0.539 54.528 54.000 -0.018 0.000 0.876 307 D CB -0.028 40.720 40.800 -0.086 0.000 0.927 307 D HN 0.485 nan 8.370 nan 0.000 0.519 308 F N 1.213 121.113 119.950 -0.082 0.000 2.698 308 F HA 0.153 4.680 4.527 -0.000 0.000 0.295 308 F C 1.955 177.824 175.800 0.113 0.000 1.124 308 F CA 0.072 58.101 58.000 0.049 0.000 1.426 308 F CB 0.007 39.080 39.000 0.121 0.000 1.120 308 F HN -0.202 nan 8.300 nan 0.000 0.583 309 L N 0.961 122.217 121.223 0.056 0.000 2.013 309 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 309 L C -0.388 176.482 176.870 0.000 0.000 1.073 309 L CA 1.584 56.460 54.840 0.060 0.000 0.753 309 L CB -2.276 39.825 42.059 0.070 0.000 0.890 309 L HN 0.107 nan 8.230 nan 0.000 0.432 310 P HA -0.137 nan 4.420 nan 0.000 0.217 310 P C 1.477 178.715 177.300 -0.103 0.000 1.150 310 P CA 1.677 64.751 63.100 -0.043 0.000 0.832 310 P CB -0.002 31.688 31.700 -0.016 0.000 0.787 311 A N -0.974 121.707 122.820 -0.231 0.000 1.930 311 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 311 A C 2.233 179.631 177.584 -0.309 0.000 1.175 311 A CA 1.117 52.961 52.037 -0.321 0.000 0.627 311 A CB -1.914 16.776 19.000 -0.517 0.000 0.815 311 A HN 0.304 nan 8.150 nan 0.000 0.443 312 W N 0.827 121.718 121.300 -0.681 0.000 2.358 312 W HA -0.153 4.506 4.660 -0.000 0.000 0.303 312 W C 1.748 178.200 176.519 -0.113 0.000 1.208 312 W CA 1.612 58.766 57.345 -0.319 0.000 1.274 312 W CB 0.020 29.386 29.460 -0.157 0.000 1.138 312 W HN 0.361 nan 8.180 nan 0.000 0.515 313 E N 0.589 120.725 120.200 -0.105 0.000 2.077 313 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 313 E C 2.283 178.792 176.600 -0.152 0.000 0.989 313 E CA 1.595 57.893 56.400 -0.170 0.000 0.800 313 E CB -0.936 28.725 29.700 -0.064 0.000 0.746 313 E HN 0.330 nan 8.360 nan 0.000 0.452 314 A N 0.683 123.457 122.820 -0.078 0.000 1.933 314 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 314 A C 2.440 180.040 177.584 0.027 0.000 1.175 314 A CA 1.946 53.982 52.037 -0.002 0.000 0.628 314 A CB -0.820 18.200 19.000 0.032 0.000 0.814 314 A HN 0.238 nan 8.150 nan 0.000 0.444 315 T N 0.235 114.789 114.554 -0.001 0.000 2.684 315 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 315 T C 1.888 176.433 174.700 -0.258 0.000 1.036 315 T CA 1.834 63.926 62.100 -0.013 0.000 1.148 315 T CB -0.237 68.684 68.868 0.088 0.000 0.863 315 T HN 0.572 nan 8.240 nan 0.000 0.436 316 K N 0.669 120.811 120.400 -0.430 0.000 2.147 316 K HA -0.080 4.239 4.320 -0.000 0.000 0.205 316 K C 2.635 179.086 176.600 -0.249 0.000 1.049 316 K CA 0.869 56.905 56.287 -0.419 0.000 0.936 316 K CB -0.039 32.151 32.500 -0.517 0.000 0.722 316 K HN 0.269 nan 8.250 nan 0.000 0.446 317 Q N 0.527 120.220 119.800 -0.178 0.000 2.083 317 Q HA -0.108 4.232 4.340 -0.000 0.000 0.198 317 Q C 2.226 178.152 176.000 -0.122 0.000 0.969 317 Q CA 1.015 56.749 55.803 -0.115 0.000 0.838 317 Q CB -0.245 28.458 28.738 -0.057 0.000 0.900 317 Q HN 0.246 nan 8.270 nan 0.000 0.436 318 L N -0.367 120.772 121.223 -0.140 0.000 2.072 318 L HA 0.004 4.344 4.340 -0.000 0.000 0.205 318 L C 0.612 177.335 176.870 -0.245 0.000 1.079 318 L CA 1.317 56.027 54.840 -0.217 0.000 0.752 318 L CB 0.190 42.072 42.059 -0.296 0.000 0.906 318 L HN 0.048 nan 8.230 nan 0.000 0.436 319 L N 0.170 121.227 121.223 -0.277 0.000 2.488 319 L HA 0.294 4.634 4.340 -0.000 0.000 0.250 319 L C -1.760 174.961 176.870 -0.250 0.000 1.280 319 L CA -1.227 53.438 54.840 -0.290 0.000 0.929 319 L CB 0.939 42.725 42.059 -0.455 0.000 1.200 319 L HN -0.081 nan 8.230 nan 0.000 0.495 320 P HA -0.197 nan 4.420 nan 0.000 0.219 320 P C 1.616 178.833 177.300 -0.138 0.000 1.146 320 P CA 1.100 64.107 63.100 -0.155 0.000 0.808 320 P CB 0.358 31.992 31.700 -0.108 0.000 0.779 321 A N -0.803 121.942 122.820 -0.125 0.000 2.024 321 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 321 A C 1.876 179.405 177.584 -0.092 0.000 1.164 321 A CA 1.454 53.437 52.037 -0.089 0.000 0.643 321 A CB -1.546 17.410 19.000 -0.073 0.000 0.806 321 A HN 0.121 nan 8.150 nan 0.000 0.451 322 L N -0.821 120.301 121.223 -0.168 0.000 2.465 322 L HA 0.015 4.355 4.340 -0.000 0.000 0.224 322 L C 2.706 179.508 176.870 -0.112 0.000 1.145 322 L CA 1.251 56.014 54.840 -0.129 0.000 0.834 322 L CB -0.634 41.289 42.059 -0.226 0.000 0.944 322 L HN 0.381 nan 8.230 nan 0.000 0.451 323 A N -1.139 121.583 122.820 -0.164 0.000 2.121 323 A HA -0.133 4.186 4.320 -0.000 0.000 0.218 323 A C 1.571 179.167 177.584 0.020 0.000 1.154 323 A CA 1.281 53.247 52.037 -0.119 0.000 0.679 323 A CB -0.331 18.589 19.000 -0.135 0.000 0.795 323 A HN 0.329 nan 8.150 nan 0.000 0.458 324 D N 0.018 120.434 120.400 0.027 0.000 2.325 324 D HA 0.085 4.724 4.640 -0.000 0.000 0.225 324 D C 0.732 177.094 176.300 0.104 0.000 1.096 324 D CA 0.795 54.830 54.000 0.060 0.000 0.844 324 D CB 0.178 40.998 40.800 0.034 0.000 0.925 324 D HN 0.544 nan 8.370 nan 0.000 0.513 325 S N -0.866 114.936 115.700 0.171 0.000 2.751 325 S HA 0.655 5.125 4.470 -0.000 0.000 0.310 325 S C -0.161 174.633 174.600 0.323 0.000 1.128 325 S CA -0.814 57.517 58.200 0.219 0.000 0.931 325 S CB 2.697 66.041 63.200 0.240 0.000 1.177 325 S HN -0.104 nan 8.310 nan 0.000 0.530 326 E N -0.304 120.022 120.200 0.211 0.000 2.359 326 E HA 0.473 4.823 4.350 -0.000 0.000 0.266 326 E C -0.960 175.546 176.600 -0.155 0.000 0.920 326 E CA -0.902 55.549 56.400 0.085 0.000 0.788 326 E CB 1.878 31.597 29.700 0.033 0.000 1.279 326 E HN 0.561 nan 8.360 nan 0.000 0.438 327 I N 2.024 122.324 120.570 -0.450 0.000 2.668 327 I HA -0.085 4.085 4.170 -0.000 0.000 0.285 327 I C 1.390 177.360 176.117 -0.245 0.000 1.168 327 I CA 0.795 61.815 61.300 -0.467 0.000 1.424 327 I CB 0.343 38.017 38.000 -0.544 0.000 1.377 327 I HN 0.717 nan 8.210 nan 0.000 0.560 328 E N 4.360 124.429 120.200 -0.217 0.000 2.094 328 E HA 0.058 4.407 4.350 -0.000 0.000 0.193 328 E C -0.138 176.346 176.600 -0.193 0.000 0.950 328 E CA 0.449 56.757 56.400 -0.153 0.000 0.842 328 E CB 0.646 30.286 29.700 -0.099 0.000 0.816 328 E HN 0.611 nan 8.360 nan 0.000 0.465 329 D N -0.974 119.267 120.400 -0.265 0.000 2.753 329 D HA 0.432 5.072 4.640 -0.000 0.000 0.224 329 D C -0.977 174.999 176.300 -0.540 0.000 1.213 329 D CA -0.294 53.524 54.000 -0.304 0.000 0.833 329 D CB 2.015 42.712 40.800 -0.172 0.000 1.607 329 D HN 0.278 nan 8.370 nan 0.000 0.463 330 G N 0.177 108.498 108.800 -0.798 0.000 2.642 330 G HA2 0.759 4.719 3.960 -0.000 0.000 0.293 330 G HA3 0.759 4.719 3.960 -0.000 0.000 0.293 330 G C -1.426 173.106 174.900 -0.613 0.000 1.341 330 G CA -0.726 43.554 45.100 -1.367 0.000 0.916 330 G HN 0.339 nan 8.290 nan 0.000 0.474 331 F N -1.747 117.905 119.950 -0.496 0.000 2.662 331 F HA 0.685 5.212 4.527 -0.000 0.000 0.312 331 F C -1.287 174.487 175.800 -0.043 0.000 1.113 331 F CA -1.830 56.091 58.000 -0.132 0.000 0.951 331 F CB 1.404 40.338 39.000 -0.111 0.000 1.344 331 F HN 0.221 nan 8.300 nan 0.000 0.462 332 N N 0.815 119.593 118.700 0.130 0.000 2.527 332 N HA 0.490 5.230 4.740 -0.000 0.000 0.236 332 N C -0.305 175.263 175.510 0.098 0.000 0.999 332 N CA -0.342 52.710 53.050 0.004 0.000 0.935 332 N CB 1.531 40.016 38.487 -0.004 0.000 1.132 332 N HN 1.074 nan 8.380 nan 0.000 0.511 333 G N 1.412 110.227 108.800 0.025 0.000 2.348 333 G HA2 0.540 4.500 3.960 -0.000 0.000 0.312 333 G HA3 0.540 4.500 3.960 -0.000 0.000 0.312 333 G C -0.015 175.030 174.900 0.240 0.000 1.126 333 G CA -0.506 44.614 45.100 0.033 0.000 0.865 333 G HN 0.494 nan 8.290 nan 0.000 0.474 334 I N 2.086 122.792 120.570 0.226 0.000 2.395 334 I HA 0.478 4.648 4.170 -0.000 0.000 0.289 334 I C 0.119 176.471 176.117 0.393 0.000 1.023 334 I CA -0.359 60.958 61.300 0.028 0.000 1.350 334 I CB 0.913 38.503 38.000 -0.683 0.000 1.409 334 I HN 0.572 nan 8.210 nan 0.000 0.507 335 F N 2.618 122.668 119.950 0.166 0.000 3.049 335 F HA 0.715 5.242 4.527 -0.000 0.000 0.329 335 F C -0.852 175.148 175.800 0.332 0.000 1.208 335 F CA -1.217 56.974 58.000 0.319 0.000 0.956 335 F CB 0.795 39.981 39.000 0.310 0.000 1.469 335 F HN 0.170 nan 8.300 nan 0.000 0.516 336 S N 0.254 116.151 115.700 0.329 0.000 2.501 336 S HA 0.765 5.235 4.470 -0.000 0.000 0.301 336 S C -1.574 173.041 174.600 0.025 0.000 1.096 336 S CA -0.271 58.064 58.200 0.225 0.000 1.063 336 S CB 1.098 64.464 63.200 0.277 0.000 1.042 336 S HN 0.411 nan 8.310 nan 0.000 0.494 337 F N 1.106 121.067 119.950 0.018 0.000 2.593 337 F HA 0.667 5.193 4.527 -0.000 0.000 0.320 337 F C 0.810 176.656 175.800 0.077 0.000 1.060 337 F CA -0.561 57.472 58.000 0.055 0.000 0.940 337 F CB 2.132 41.147 39.000 0.024 0.000 1.268 337 F HN 0.593 nan 8.300 nan 0.000 0.475 338 T N -1.735 112.960 114.554 0.234 0.000 2.907 338 T HA 0.453 4.802 4.350 -0.000 0.000 0.290 338 T C -2.526 172.289 174.700 0.191 0.000 1.066 338 T CA -2.229 59.979 62.100 0.179 0.000 1.012 338 T CB 2.143 71.126 68.868 0.191 0.000 1.184 338 T HN 0.169 nan 8.240 nan 0.000 0.522 339 P HA -0.040 nan 4.420 nan 0.000 0.218 339 P C 0.605 178.047 177.300 0.237 0.000 1.148 339 P CA 1.296 64.517 63.100 0.202 0.000 0.822 339 P CB -0.025 31.870 31.700 0.325 0.000 0.784 340 D N -3.621 116.952 120.400 0.288 0.000 2.469 340 D HA 0.197 4.837 4.640 -0.000 0.000 0.215 340 D C 1.281 177.654 176.300 0.120 0.000 1.154 340 D CA 0.116 54.235 54.000 0.199 0.000 0.832 340 D CB -0.684 40.232 40.800 0.194 0.000 1.008 340 D HN 0.144 nan 8.370 nan 0.000 0.506 341 G N -0.444 108.431 108.800 0.125 0.000 2.189 341 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.267 341 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.267 341 G C 0.663 175.543 174.900 -0.032 0.000 0.975 341 G CA 0.142 45.264 45.100 0.038 0.000 0.644 341 G HN 0.818 nan 8.290 nan 0.000 0.537 342 G N 0.300 109.120 108.800 0.033 0.000 2.476 342 G HA2 0.718 4.678 3.960 -0.000 0.000 0.286 342 G HA3 0.718 4.678 3.960 -0.000 0.000 0.286 342 G C -1.449 173.487 174.900 0.061 0.000 1.177 342 G CA -0.498 44.601 45.100 -0.001 0.000 0.870 342 G HN 0.285 nan 8.290 nan 0.000 0.528 343 P HA 0.303 nan 4.420 nan 0.000 0.289 343 P C -0.713 176.678 177.300 0.151 0.000 1.299 343 P CA -0.433 62.730 63.100 0.105 0.000 0.766 343 P CB 1.213 32.969 31.700 0.093 0.000 1.226 344 L N 0.369 121.689 121.223 0.162 0.000 2.388 344 L HA 0.469 4.809 4.340 -0.000 0.000 0.267 344 L C -0.122 176.841 176.870 0.154 0.000 0.995 344 L CA -0.318 54.635 54.840 0.189 0.000 0.864 344 L CB 0.761 42.943 42.059 0.206 0.000 1.216 344 L HN 0.176 nan 8.230 nan 0.000 0.430 345 L N 2.385 123.693 121.223 0.142 0.000 2.341 345 L HA 0.982 5.321 4.340 -0.000 0.000 0.267 345 L C 0.463 177.421 176.870 0.146 0.000 1.009 345 L CA -0.722 54.194 54.840 0.125 0.000 0.819 345 L CB 2.093 44.211 42.059 0.099 0.000 1.323 345 L HN 0.725 nan 8.230 nan 0.000 0.425 346 G N 1.224 110.134 108.800 0.184 0.000 2.384 346 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.668 346 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.668 346 G C -1.303 173.712 174.900 0.191 0.000 1.280 346 G CA -0.756 44.479 45.100 0.225 0.000 0.992 346 G HN 0.681 nan 8.290 nan 0.000 0.512 347 E N 0.137 120.348 120.200 0.019 0.000 2.313 347 E HA 0.501 4.850 4.350 -0.000 0.000 0.276 347 E C 1.221 177.764 176.600 -0.095 0.000 1.031 347 E CA 0.202 56.390 56.400 -0.353 0.000 0.857 347 E CB 0.573 29.971 29.700 -0.503 0.000 1.040 347 E HN 0.948 nan 8.360 nan 0.000 0.408 348 S N 3.592 119.273 115.700 -0.031 0.000 2.568 348 S HA 0.025 4.495 4.470 -0.000 0.000 0.282 348 S C 0.792 175.393 174.600 0.002 0.000 1.338 348 S CA -0.241 57.992 58.200 0.054 0.000 1.045 348 S CB 1.248 64.523 63.200 0.124 0.000 0.873 348 S HN 0.609 nan 8.310 nan 0.000 0.516 349 K N 1.466 121.876 120.400 0.015 0.000 2.148 349 K HA -0.086 4.234 4.320 -0.000 0.000 0.204 349 K C 1.679 178.270 176.600 -0.015 0.000 1.050 349 K CA 1.597 57.885 56.287 0.001 0.000 0.942 349 K CB -0.155 32.355 32.500 0.017 0.000 0.724 349 K HN 0.658 nan 8.250 nan 0.000 0.446 350 E N 0.034 120.219 120.200 -0.025 0.000 2.299 350 E HA 0.029 4.379 4.350 -0.000 0.000 0.193 350 E C -0.404 176.169 176.600 -0.045 0.000 0.998 350 E CA 0.374 56.748 56.400 -0.043 0.000 0.851 350 E CB 0.350 30.007 29.700 -0.070 0.000 0.795 350 E HN -0.034 nan 8.360 nan 0.000 0.492 351 L N 1.064 122.266 121.223 -0.035 0.000 2.528 351 L HA 0.303 4.642 4.340 -0.000 0.000 0.267 351 L C -1.742 175.151 176.870 0.038 0.000 0.961 351 L CA -0.679 54.156 54.840 -0.009 0.000 0.866 351 L CB 1.713 43.734 42.059 -0.064 0.000 1.248 351 L HN -0.241 nan 8.230 nan 0.000 0.404 352 D N 3.739 124.173 120.400 0.056 0.000 2.455 352 D HA 0.459 5.099 4.640 -0.000 0.000 0.241 352 D C 1.229 177.585 176.300 0.093 0.000 1.138 352 D CA 1.589 55.634 54.000 0.075 0.000 0.877 352 D CB 1.103 41.987 40.800 0.140 0.000 1.187 352 D HN 0.931 nan 8.370 nan 0.000 0.451 353 G N 1.765 110.600 108.800 0.059 0.000 2.179 353 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.260 353 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.260 353 G C 0.186 175.223 174.900 0.229 0.000 0.977 353 G CA -0.007 45.205 45.100 0.187 0.000 0.641 353 G HN 0.476 nan 8.290 nan 0.000 0.533 354 F N 1.448 121.359 119.950 -0.065 0.000 2.411 354 F HA 0.741 5.267 4.527 -0.000 0.000 0.352 354 F C -0.101 175.632 175.800 -0.112 0.000 1.123 354 F CA -1.238 56.770 58.000 0.013 0.000 1.044 354 F CB 0.717 39.721 39.000 0.006 0.000 1.135 354 F HN 0.044 nan 8.300 nan 0.000 0.461 355 Y N 4.235 124.363 120.300 -0.286 0.000 2.562 355 Y HA 0.622 5.172 4.550 -0.000 0.000 0.343 355 Y C -0.428 175.354 175.900 -0.197 0.000 1.025 355 Y CA -1.222 56.811 58.100 -0.112 0.000 1.082 355 Y CB 1.852 40.258 38.460 -0.090 0.000 1.264 355 Y HN 0.466 nan 8.280 nan 0.000 0.478 356 V N -0.637 119.371 119.914 0.156 0.000 2.715 356 V HA 1.001 5.121 4.120 -0.000 0.000 0.310 356 V C -0.645 175.510 176.094 0.103 0.000 1.054 356 V CA -1.066 61.304 62.300 0.116 0.000 0.928 356 V CB 1.441 33.372 31.823 0.181 0.000 1.007 356 V HN 0.962 nan 8.190 nan 0.000 0.437 357 A N 2.901 125.763 122.820 0.070 0.000 3.007 357 A HA 0.761 5.081 4.320 -0.000 0.000 0.314 357 A C -0.490 177.141 177.584 0.079 0.000 1.153 357 A CA -0.407 51.664 52.037 0.056 0.000 0.780 357 A CB 0.278 19.280 19.000 0.003 0.000 1.258 357 A HN 0.955 nan 8.150 nan 0.000 0.460 358 E N 0.275 120.544 120.200 0.115 0.000 2.393 358 E HA 0.697 5.047 4.350 -0.000 0.000 0.273 358 E C -0.076 176.626 176.600 0.171 0.000 0.918 358 E CA -0.638 55.850 56.400 0.147 0.000 0.773 358 E CB 2.079 31.875 29.700 0.160 0.000 1.275 358 E HN 1.786 nan 8.360 nan 0.000 0.451 359 A N 0.433 123.378 122.820 0.207 0.000 2.632 359 A HA -0.117 4.203 4.320 -0.000 0.000 0.294 359 A C -0.738 176.998 177.584 0.253 0.000 1.447 359 A CA 0.304 52.482 52.037 0.235 0.000 0.728 359 A CB -1.922 17.191 19.000 0.188 0.000 1.102 359 A HN 0.186 nan 8.150 nan 0.000 0.422 360 V N 1.384 121.481 119.914 0.305 0.000 2.483 360 V HA 0.566 4.686 4.120 -0.000 0.000 0.297 360 V C 0.400 176.787 176.094 0.489 0.000 1.027 360 V CA -0.919 61.577 62.300 0.326 0.000 0.855 360 V CB 1.384 33.325 31.823 0.196 0.000 0.995 360 V HN 0.618 nan 8.190 nan 0.000 0.424 361 W N 3.071 124.512 121.300 0.236 0.000 2.112 361 W HA 0.331 4.991 4.660 -0.000 0.000 0.349 361 W C 1.549 178.106 176.519 0.062 0.000 1.289 361 W CA -0.582 56.860 57.345 0.162 0.000 1.256 361 W CB 0.310 29.881 29.460 0.185 0.000 1.148 361 W HN 0.343 nan 8.180 nan 0.000 0.590 362 V N 1.657 121.666 119.914 0.159 0.000 2.324 362 V HA -0.355 3.765 4.120 -0.000 0.000 0.250 362 V C 2.085 178.218 176.094 0.064 0.000 1.060 362 V CA 2.606 64.948 62.300 0.070 0.000 1.042 362 V CB -1.276 30.544 31.823 -0.005 0.000 0.650 362 V HN 0.766 nan 8.190 nan 0.000 0.450 363 T N -0.918 113.670 114.554 0.055 0.000 2.721 363 T HA -0.263 4.087 4.350 -0.000 0.000 0.268 363 T C 1.385 175.938 174.700 -0.244 0.000 1.038 363 T CA 2.250 64.276 62.100 -0.123 0.000 1.145 363 T CB -0.339 68.407 68.868 -0.203 0.000 0.858 363 T HN 0.761 nan 8.240 nan 0.000 0.459 364 H N -0.384 118.808 119.070 0.203 0.000 2.652 364 H HA 0.281 4.837 4.556 -0.000 0.000 0.274 364 H C 2.273 177.624 175.328 0.037 0.000 1.021 364 H CA 0.362 56.506 56.048 0.161 0.000 1.187 364 H CB 0.294 30.178 29.762 0.203 0.000 1.505 364 H HN 0.314 nan 8.280 nan 0.000 0.530 365 S N 0.717 116.484 115.700 0.112 0.000 2.359 365 S HA -0.236 4.234 4.470 -0.000 0.000 0.224 365 S C 2.358 176.953 174.600 -0.009 0.000 1.035 365 S CA 1.010 59.237 58.200 0.045 0.000 1.018 365 S CB -0.385 62.844 63.200 0.047 0.000 0.876 365 S HN 0.436 nan 8.310 nan 0.000 0.448 366 A N 1.683 124.519 122.820 0.027 0.000 1.968 366 A HA 0.333 4.653 4.320 -0.000 0.000 0.217 366 A C 2.342 180.034 177.584 0.179 0.000 1.169 366 A CA 1.283 53.374 52.037 0.091 0.000 0.638 366 A CB -1.546 17.460 19.000 0.010 0.000 0.812 366 A HN 0.644 nan 8.150 nan 0.000 0.446 367 G N -0.474 108.383 108.800 0.096 0.000 2.402 367 G HA2 -0.071 3.888 3.960 -0.000 0.000 0.216 367 G HA3 -0.071 3.888 3.960 -0.000 0.000 0.216 367 G C 1.491 175.858 174.900 -0.888 0.000 1.162 367 G CA 1.132 46.128 45.100 -0.174 0.000 0.777 367 G HN 0.271 nan 8.290 nan 0.000 0.539 368 V N 1.635 120.959 119.914 -0.983 0.000 2.332 368 V HA -0.168 3.952 4.120 -0.000 0.000 0.248 368 V C 3.336 179.200 176.094 -0.383 0.000 1.055 368 V CA 2.115 63.941 62.300 -0.789 0.000 1.038 368 V CB -0.835 30.745 31.823 -0.404 0.000 0.651 368 V HN 0.471 nan 8.190 nan 0.000 0.450 369 A N -0.276 122.403 122.820 -0.235 0.000 1.902 369 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 369 A C 2.342 179.829 177.584 -0.162 0.000 1.181 369 A CA 2.201 54.152 52.037 -0.143 0.000 0.623 369 A CB -0.491 18.472 19.000 -0.061 0.000 0.818 369 A HN 0.552 nan 8.150 nan 0.000 0.443 370 K N -0.239 120.052 120.400 -0.180 0.000 2.026 370 K HA -0.104 4.216 4.320 -0.000 0.000 0.208 370 K C 2.160 178.625 176.600 -0.225 0.000 1.048 370 K CA 1.353 57.503 56.287 -0.229 0.000 0.929 370 K CB -0.384 31.861 32.500 -0.424 0.000 0.713 370 K HN 0.333 nan 8.250 nan 0.000 0.439 371 A N 1.182 123.867 122.820 -0.225 0.000 1.908 371 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 371 A C 2.138 179.638 177.584 -0.140 0.000 1.181 371 A CA 1.694 53.650 52.037 -0.135 0.000 0.627 371 A CB -0.421 18.554 19.000 -0.041 0.000 0.818 371 A HN 0.330 nan 8.150 nan 0.000 0.445 372 M N -0.600 118.899 119.600 -0.168 0.000 2.200 372 M HA -0.034 4.446 4.480 -0.000 0.000 0.265 372 M C 2.502 178.658 176.300 -0.241 0.000 1.066 372 M CA 1.413 56.608 55.300 -0.176 0.000 1.127 372 M CB -1.524 30.978 32.600 -0.163 0.000 1.379 372 M HN 0.485 nan 8.290 nan 0.000 0.420 373 A N 0.318 122.997 122.820 -0.235 0.000 1.902 373 A HA -0.175 4.144 4.320 -0.000 0.000 0.217 373 A C 2.092 179.477 177.584 -0.331 0.000 1.181 373 A CA 1.729 53.590 52.037 -0.292 0.000 0.623 373 A CB -0.660 18.198 19.000 -0.237 0.000 0.818 373 A HN 0.556 nan 8.150 nan 0.000 0.443 374 E N -0.763 119.287 120.200 -0.250 0.000 2.051 374 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 374 E C 1.950 178.426 176.600 -0.206 0.000 0.991 374 E CA 1.209 57.478 56.400 -0.218 0.000 0.799 374 E CB -0.270 29.335 29.700 -0.158 0.000 0.748 374 E HN 0.508 nan 8.360 nan 0.000 0.449 375 L N 0.946 122.063 121.223 -0.177 0.000 2.042 375 L HA -0.179 4.160 4.340 -0.000 0.000 0.210 375 L C 1.988 178.743 176.870 -0.191 0.000 1.076 375 L CA 1.615 56.379 54.840 -0.126 0.000 0.749 375 L CB -0.234 41.783 42.059 -0.070 0.000 0.893 375 L HN 0.133 nan 8.230 nan 0.000 0.432 376 L N -1.104 119.909 121.223 -0.349 0.000 2.072 376 L HA -0.137 4.203 4.340 -0.000 0.000 0.205 376 L C 2.401 178.952 176.870 -0.531 0.000 1.079 376 L CA 1.678 56.255 54.840 -0.437 0.000 0.752 376 L CB -0.907 40.826 42.059 -0.544 0.000 0.906 376 L HN 0.512 nan 8.230 nan 0.000 0.436 377 T N -5.484 108.638 114.554 -0.720 0.000 3.054 377 T HA -0.061 4.289 4.350 -0.000 0.000 0.259 377 T C 1.532 176.059 174.700 -0.287 0.000 1.092 377 T CA 1.066 62.637 62.100 -0.881 0.000 1.121 377 T CB -0.132 68.099 68.868 -1.062 0.000 0.912 377 T HN 0.395 nan 8.240 nan 0.000 0.489 378 T N -3.370 111.065 114.554 -0.197 0.000 2.958 378 T HA 0.533 4.883 4.350 -0.000 0.000 0.256 378 T C 1.835 176.515 174.700 -0.034 0.000 0.983 378 T CA 0.719 62.768 62.100 -0.084 0.000 0.924 378 T CB 0.130 68.948 68.868 -0.082 0.000 1.136 378 T HN 0.881 nan 8.240 nan 0.000 0.506 379 G N 2.254 111.040 108.800 -0.024 0.000 2.175 379 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.244 379 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.244 379 G C 0.046 174.981 174.900 0.059 0.000 0.982 379 G CA 0.081 45.211 45.100 0.049 0.000 0.641 379 G HN 1.017 nan 8.290 nan 0.000 0.527 380 R N -1.032 119.473 120.500 0.009 0.000 2.680 380 R HA 0.760 5.100 4.340 -0.000 0.000 0.269 380 R C -0.517 175.763 176.300 -0.033 0.000 1.026 380 R CA -0.073 56.030 56.100 0.005 0.000 0.889 380 R CB 1.010 31.319 30.300 0.016 0.000 1.241 380 R HN 0.563 nan 8.270 nan 0.000 0.463 381 S N 0.234 115.918 115.700 -0.026 0.000 2.562 381 S HA 0.123 4.593 4.470 -0.000 0.000 0.275 381 S C 0.395 174.965 174.600 -0.051 0.000 1.281 381 S CA -0.600 57.576 58.200 -0.041 0.000 1.045 381 S CB 0.971 64.166 63.200 -0.008 0.000 0.962 381 S HN 0.695 nan 8.310 nan 0.000 0.503 382 E N 2.394 122.552 120.200 -0.070 0.000 2.427 382 E HA 0.046 4.396 4.350 -0.000 0.000 0.196 382 E C 0.152 176.693 176.600 -0.098 0.000 1.028 382 E CA 0.560 56.910 56.400 -0.084 0.000 0.864 382 E CB -0.046 29.597 29.700 -0.096 0.000 0.813 382 E HN 0.564 nan 8.360 nan 0.000 0.514 383 T N 1.322 115.831 114.554 -0.074 0.000 2.823 383 T HA 0.131 4.481 4.350 -0.000 0.000 0.279 383 T C -0.449 174.181 174.700 -0.116 0.000 0.998 383 T CA -0.858 61.172 62.100 -0.115 0.000 0.994 383 T CB 1.792 70.621 68.868 -0.065 0.000 0.960 383 T HN -0.080 nan 8.240 nan 0.000 0.448 384 D N 2.380 122.669 120.400 -0.185 0.000 2.472 384 D HA -0.023 4.617 4.640 -0.000 0.000 0.248 384 D C 0.437 176.658 176.300 -0.132 0.000 1.174 384 D CA 0.227 54.131 54.000 -0.159 0.000 0.883 384 D CB 0.302 40.960 40.800 -0.235 0.000 1.149 384 D HN 0.416 nan 8.370 nan 0.000 0.488 385 L N 3.620 124.822 121.223 -0.035 0.000 2.741 385 L HA 0.282 4.621 4.340 -0.000 0.000 0.237 385 L C 2.209 179.089 176.870 0.017 0.000 1.178 385 L CA -0.150 54.694 54.840 0.005 0.000 0.973 385 L CB 0.200 42.297 42.059 0.062 0.000 1.255 385 L HN 0.626 nan 8.230 nan 0.000 0.498 386 G N 0.283 109.090 108.800 0.013 0.000 2.450 386 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.220 386 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.220 386 G C 1.280 176.181 174.900 0.002 0.000 1.130 386 G CA 0.507 45.658 45.100 0.084 0.000 0.760 386 G HN 0.452 nan 8.290 nan 0.000 0.557 387 E N -1.039 119.116 120.200 -0.075 0.000 2.489 387 E HA 0.079 4.428 4.350 -0.000 0.000 0.193 387 E C 1.445 178.004 176.600 -0.069 0.000 1.057 387 E CA -0.101 56.243 56.400 -0.094 0.000 0.866 387 E CB 0.209 29.826 29.700 -0.137 0.000 0.916 387 E HN 0.455 nan 8.360 nan 0.000 0.500 388 C N 0.430 119.716 119.300 -0.024 0.000 3.364 388 C HA 0.115 4.575 4.460 -0.000 0.000 0.340 388 C C 0.872 175.900 174.990 0.064 0.000 1.336 388 C CA -0.710 58.329 59.018 0.035 0.000 1.778 388 C CB 0.093 27.884 27.740 0.086 0.000 2.398 388 C HN 0.296 nan 8.230 nan 0.000 0.667 389 D N 1.467 121.894 120.400 0.044 0.000 2.390 389 D HA 0.047 4.687 4.640 -0.000 0.000 0.249 389 D C 0.887 177.236 176.300 0.082 0.000 1.144 389 D CA 0.137 54.178 54.000 0.069 0.000 0.880 389 D CB 0.680 41.515 40.800 0.058 0.000 1.182 389 D HN 0.341 nan 8.370 nan 0.000 0.451 390 I N 3.247 123.903 120.570 0.144 0.000 2.423 390 I HA -0.276 3.893 4.170 -0.000 0.000 0.254 390 I C 2.006 178.258 176.117 0.225 0.000 1.151 390 I CA 1.557 62.993 61.300 0.226 0.000 1.421 390 I CB 0.090 38.214 38.000 0.207 0.000 1.079 390 I HN 0.504 nan 8.210 nan 0.000 0.431 391 T N -1.603 113.027 114.554 0.127 0.000 3.160 391 T HA -0.049 4.301 4.350 -0.000 0.000 0.257 391 T C 1.795 176.525 174.700 0.051 0.000 1.147 391 T CA 0.403 62.565 62.100 0.103 0.000 1.064 391 T CB -0.630 68.283 68.868 0.075 0.000 0.949 391 T HN 0.577 nan 8.240 nan 0.000 0.526 392 R N -0.017 120.452 120.500 -0.053 0.000 2.189 392 R HA 0.115 4.455 4.340 -0.000 0.000 0.223 392 R C -0.032 176.130 176.300 -0.229 0.000 1.092 392 R CA 0.238 56.225 56.100 -0.187 0.000 0.989 392 R CB -0.660 29.436 30.300 -0.339 0.000 0.876 392 R HN 0.381 nan 8.270 nan 0.000 0.457 393 F N 2.616 122.597 119.950 0.052 0.000 2.429 393 F HA 0.162 4.689 4.527 -0.000 0.000 0.348 393 F C 1.014 176.813 175.800 -0.002 0.000 1.109 393 F CA -0.599 57.413 58.000 0.020 0.000 1.232 393 F CB 0.716 39.719 39.000 0.006 0.000 1.157 393 F HN -0.100 nan 8.300 nan 0.000 0.564 394 E N 1.589 121.884 120.200 0.158 0.000 2.345 394 E HA 0.020 4.370 4.350 -0.000 0.000 0.259 394 E C 0.393 176.989 176.600 -0.006 0.000 1.117 394 E CA -0.145 56.289 56.400 0.058 0.000 0.913 394 E CB 0.635 30.343 29.700 0.012 0.000 1.057 394 E HN 0.563 nan 8.360 nan 0.000 0.432 395 D N 0.447 120.826 120.400 -0.036 0.000 2.144 395 D HA -0.138 4.502 4.640 -0.000 0.000 0.199 395 D C 1.782 178.000 176.300 -0.137 0.000 0.984 395 D CA 1.235 55.197 54.000 -0.064 0.000 0.834 395 D CB -0.078 40.689 40.800 -0.054 0.000 0.955 395 D HN 0.307 nan 8.370 nan 0.000 0.465 396 V N -1.180 118.616 119.914 -0.197 0.000 2.913 396 V HA -0.131 3.988 4.120 -0.000 0.000 0.260 396 V C 1.556 177.355 176.094 -0.492 0.000 1.098 396 V CA 1.205 63.348 62.300 -0.263 0.000 1.121 396 V CB -0.761 30.908 31.823 -0.256 0.000 0.714 396 V HN 0.092 nan 8.190 nan 0.000 0.487 397 Q N -0.238 119.218 119.800 -0.573 0.000 2.360 397 Q HA 0.361 4.701 4.340 -0.000 0.000 0.202 397 Q C 1.600 177.308 176.000 -0.487 0.000 0.915 397 Q CA 0.342 55.529 55.803 -1.027 0.000 0.943 397 Q CB 0.340 28.791 28.738 -0.478 0.000 1.064 397 Q HN 0.610 nan 8.270 nan 0.000 0.511 398 L N 0.497 121.560 121.223 -0.267 0.000 2.693 398 L HA 0.126 4.466 4.340 -0.000 0.000 0.235 398 L C 0.887 177.708 176.870 -0.083 0.000 1.127 398 L CA -0.143 54.600 54.840 -0.162 0.000 0.914 398 L CB 0.334 42.336 42.059 -0.094 0.000 1.193 398 L HN 0.125 nan 8.230 nan 0.000 0.502 399 T N -3.397 111.122 114.554 -0.058 0.000 2.918 399 T HA 0.135 4.485 4.350 -0.000 0.000 0.302 399 T C -1.667 173.048 174.700 0.025 0.000 1.045 399 T CA -1.387 60.707 62.100 -0.010 0.000 1.114 399 T CB 1.081 69.951 68.868 0.003 0.000 0.965 399 T HN -0.166 nan 8.240 nan 0.000 0.540 400 P HA -0.103 nan 4.420 nan 0.000 0.216 400 P C 1.233 178.548 177.300 0.026 0.000 1.150 400 P CA 1.144 64.253 63.100 0.016 0.000 0.843 400 P CB 0.067 31.771 31.700 0.008 0.000 0.787 401 E N -1.798 118.421 120.200 0.031 0.000 2.077 401 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 401 E C 2.032 178.660 176.600 0.047 0.000 0.989 401 E CA 1.046 57.461 56.400 0.025 0.000 0.800 401 E CB -1.077 28.635 29.700 0.019 0.000 0.746 401 E HN 0.344 nan 8.360 nan 0.000 0.452 402 Y N 0.644 120.917 120.300 -0.045 0.000 2.145 402 Y HA -0.234 4.316 4.550 -0.000 0.000 0.286 402 Y C 2.096 177.969 175.900 -0.045 0.000 1.145 402 Y CA 1.205 59.279 58.100 -0.044 0.000 1.148 402 Y CB -0.115 38.316 38.460 -0.049 0.000 0.981 402 Y HN -0.136 nan 8.280 nan 0.000 0.507 403 V N -0.726 119.287 119.914 0.165 0.000 2.343 403 V HA -0.302 3.817 4.120 -0.000 0.000 0.247 403 V C 2.602 178.692 176.094 -0.007 0.000 1.051 403 V CA 2.070 64.411 62.300 0.068 0.000 1.036 403 V CB -1.006 30.832 31.823 0.025 0.000 0.654 403 V HN 0.521 nan 8.190 nan 0.000 0.451 404 S N -0.689 115.001 115.700 -0.016 0.000 2.356 404 S HA -0.265 4.205 4.470 -0.000 0.000 0.223 404 S C 2.100 176.657 174.600 -0.072 0.000 1.032 404 S CA 2.084 60.261 58.200 -0.039 0.000 1.005 404 S CB -0.238 62.941 63.200 -0.034 0.000 0.867 404 S HN 0.727 nan 8.310 nan 0.000 0.449 405 E N -0.205 119.934 120.200 -0.101 0.000 2.047 405 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 405 E C 2.091 178.600 176.600 -0.153 0.000 0.987 405 E CA 1.780 58.104 56.400 -0.126 0.000 0.799 405 E CB -0.333 29.278 29.700 -0.148 0.000 0.752 405 E HN 0.804 nan 8.360 nan 0.000 0.449 406 T N -1.999 112.409 114.554 -0.243 0.000 2.904 406 T HA 0.020 4.370 4.350 -0.000 0.000 0.267 406 T C 2.087 176.748 174.700 -0.065 0.000 1.059 406 T CA 1.148 63.115 62.100 -0.222 0.000 1.137 406 T CB -0.073 68.555 68.868 -0.401 0.000 0.879 406 T HN -0.046 nan 8.240 nan 0.000 0.467 407 S N 1.589 117.272 115.700 -0.028 0.000 2.406 407 S HA -0.034 4.436 4.470 -0.000 0.000 0.228 407 S C 2.233 176.847 174.600 0.024 0.000 1.020 407 S CA 0.696 58.935 58.200 0.065 0.000 0.965 407 S CB -0.313 62.945 63.200 0.097 0.000 0.798 407 S HN 0.597 nan 8.310 nan 0.000 0.488 408 Q N 1.002 120.775 119.800 -0.046 0.000 2.084 408 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 408 Q C 2.346 178.343 176.000 -0.006 0.000 0.978 408 Q CA 1.226 56.986 55.803 -0.073 0.000 0.844 408 Q CB -0.201 28.483 28.738 -0.090 0.000 0.898 408 Q HN 0.578 nan 8.270 nan 0.000 0.426 409 Q N 0.829 120.622 119.800 -0.012 0.000 2.124 409 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 409 Q C 1.706 177.725 176.000 0.032 0.000 0.977 409 Q CA 1.570 57.375 55.803 0.003 0.000 0.850 409 Q CB -0.014 28.710 28.738 -0.022 0.000 0.901 409 Q HN 0.278 nan 8.270 nan 0.000 0.429 410 N N -0.486 118.253 118.700 0.065 0.000 2.166 410 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 410 N C 1.439 177.020 175.510 0.118 0.000 1.019 410 N CA 1.310 54.436 53.050 0.128 0.000 0.856 410 N CB -0.299 38.325 38.487 0.228 0.000 0.993 410 N HN 0.332 nan 8.380 nan 0.000 0.426 411 F N 0.443 120.290 119.950 -0.172 0.000 2.102 411 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 411 F C 2.001 177.652 175.800 -0.248 0.000 1.105 411 F CA 1.131 58.850 58.000 -0.469 0.000 1.239 411 F CB -0.500 37.977 39.000 -0.871 0.000 0.991 411 F HN -0.105 nan 8.300 nan 0.000 0.474 412 V N 0.396 120.296 119.914 -0.024 0.000 2.392 412 V HA -0.303 3.817 4.120 -0.000 0.000 0.249 412 V C 1.738 177.761 176.094 -0.117 0.000 1.059 412 V CA 2.354 64.617 62.300 -0.063 0.000 1.051 412 V CB -0.704 31.139 31.823 0.033 0.000 0.658 412 V HN 0.389 nan 8.190 nan 0.000 0.455 413 E N -0.816 119.343 120.200 -0.068 0.000 2.463 413 E HA 0.160 4.510 4.350 -0.000 0.000 0.193 413 E C 1.870 178.465 176.600 -0.009 0.000 1.041 413 E CA -0.139 56.253 56.400 -0.013 0.000 0.879 413 E CB 0.179 29.900 29.700 0.035 0.000 0.997 413 E HN 0.600 nan 8.360 nan 0.000 0.478 414 I N 0.375 120.873 120.570 -0.121 0.000 2.248 414 I HA -0.293 3.876 4.170 -0.000 0.000 0.248 414 I C 0.880 177.095 176.117 0.163 0.000 1.107 414 I CA 1.396 62.654 61.300 -0.070 0.000 1.373 414 I CB 0.195 37.968 38.000 -0.377 0.000 1.055 414 I HN 0.155 nan 8.210 nan 0.000 0.418 415 Y N 0.747 120.986 120.300 -0.101 0.000 2.584 415 Y HA 0.264 4.813 4.550 -0.000 0.000 0.254 415 Y C -0.001 175.907 175.900 0.014 0.000 1.177 415 Y CA -1.313 56.774 58.100 -0.021 0.000 1.216 415 Y CB -0.519 37.949 38.460 0.014 0.000 1.172 415 Y HN 0.110 nan 8.280 nan 0.000 0.529 416 D N -0.402 120.091 120.400 0.156 0.000 2.304 416 D HA 0.167 4.807 4.640 -0.000 0.000 0.247 416 D C -0.075 176.311 176.300 0.144 0.000 1.089 416 D CA 0.002 54.079 54.000 0.129 0.000 0.910 416 D CB 1.876 42.743 40.800 0.112 0.000 1.199 416 D HN -0.265 nan 8.370 nan 0.000 0.426 417 V N 3.066 123.073 119.914 0.156 0.000 2.470 417 V HA 0.198 4.318 4.120 -0.000 0.000 0.276 417 V C 0.276 176.555 176.094 0.309 0.000 1.040 417 V CA -0.057 62.374 62.300 0.218 0.000 1.008 417 V CB -0.162 31.782 31.823 0.201 0.000 0.990 417 V HN 0.272 nan 8.190 nan 0.000 0.477 418 L N 4.430 125.876 121.223 0.372 0.000 2.408 418 L HA 0.514 4.854 4.340 -0.000 0.000 0.268 418 L C -0.102 177.045 176.870 0.461 0.000 0.986 418 L CA -0.742 54.313 54.840 0.359 0.000 0.820 418 L CB 2.147 44.343 42.059 0.229 0.000 1.303 418 L HN 0.608 nan 8.230 nan 0.000 0.411 419 H N 4.615 123.789 119.070 0.173 0.000 2.707 419 H HA 0.144 4.700 4.556 -0.000 0.000 0.359 419 H C -1.773 173.595 175.328 0.066 0.000 1.113 419 H CA -1.173 54.816 56.048 -0.099 0.000 1.422 419 H CB 2.022 31.572 29.762 -0.353 0.000 1.443 419 H HN 0.368 nan 8.280 nan 0.000 0.591 420 P HA -0.121 nan 4.420 nan 0.000 0.219 420 P C 1.285 178.642 177.300 0.095 0.000 1.146 420 P CA 1.047 64.156 63.100 0.015 0.000 0.808 420 P CB 0.290 31.989 31.700 -0.002 0.000 0.779 421 L N -1.489 119.901 121.223 0.279 0.000 2.607 421 L HA 0.163 4.503 4.340 -0.000 0.000 0.228 421 L C 1.103 177.686 176.870 -0.478 0.000 1.123 421 L CA -0.341 54.502 54.840 0.006 0.000 0.890 421 L CB -0.512 41.604 42.059 0.094 0.000 1.103 421 L HN -0.066 nan 8.230 nan 0.000 0.468 422 Q N 3.155 122.761 119.800 -0.324 0.000 2.264 422 Q HA 0.068 4.408 4.340 -0.000 0.000 0.296 422 Q C -2.122 173.661 176.000 -0.361 0.000 1.103 422 Q CA -0.825 54.693 55.803 -0.474 0.000 0.967 422 Q CB 0.316 29.040 28.738 -0.023 0.000 1.090 422 Q HN 0.046 nan 8.270 nan 0.000 0.379 423 P HA 0.235 nan 4.420 nan 0.000 0.279 423 P C -0.877 176.359 177.300 -0.106 0.000 1.252 423 P CA -0.410 62.554 63.100 -0.228 0.000 0.811 423 P CB 0.931 32.479 31.700 -0.252 0.000 1.035 424 R N 0.848 121.309 120.500 -0.064 0.000 2.641 424 R HA 0.225 4.565 4.340 -0.000 0.000 0.269 424 R C 1.299 177.572 176.300 -0.045 0.000 1.074 424 R CA -0.414 55.660 56.100 -0.042 0.000 1.133 424 R CB 0.349 30.623 30.300 -0.043 0.000 1.029 424 R HN 0.496 nan 8.270 nan 0.000 0.488 425 L N 0.109 121.314 121.223 -0.031 0.000 2.446 425 L HA 0.103 4.442 4.340 -0.000 0.000 0.219 425 L C 0.795 177.641 176.870 -0.039 0.000 1.116 425 L CA 0.460 55.283 54.840 -0.029 0.000 0.844 425 L CB 0.180 42.234 42.059 -0.009 0.000 0.970 425 L HN 0.505 nan 8.230 nan 0.000 0.457 426 S N -0.558 115.114 115.700 -0.048 0.000 2.542 426 S HA 0.462 4.932 4.470 -0.000 0.000 0.276 426 S C -2.818 171.728 174.600 -0.090 0.000 1.148 426 S CA -0.979 57.186 58.200 -0.059 0.000 0.886 426 S CB 2.009 65.178 63.200 -0.052 0.000 1.109 426 S HN -0.194 nan 8.310 nan 0.000 0.458 427 P HA 0.502 nan 4.420 nan 0.000 0.279 427 P C -0.978 176.304 177.300 -0.030 0.000 1.239 427 P CA -0.562 62.505 63.100 -0.055 0.000 0.789 427 P CB 0.603 32.285 31.700 -0.030 0.000 0.933 428 R N 1.726 122.197 120.500 -0.047 0.000 2.905 428 R HA 0.357 4.697 4.340 -0.000 0.000 0.260 428 R C 0.378 176.618 176.300 -0.101 0.000 1.086 428 R CA -0.825 55.236 56.100 -0.065 0.000 0.978 428 R CB 0.407 30.659 30.300 -0.079 0.000 1.215 428 R HN 0.498 nan 8.270 nan 0.000 0.480 429 N N 0.536 119.146 118.700 -0.151 0.000 2.747 429 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 429 N C 0.870 176.253 175.510 -0.211 0.000 1.107 429 N CA 0.606 53.520 53.050 -0.227 0.000 0.707 429 N CB -1.183 37.171 38.487 -0.222 0.000 1.054 429 N HN 0.482 nan 8.380 nan 0.000 0.555 430 L N -0.542 120.577 121.223 -0.174 0.000 2.044 430 L HA -0.034 4.306 4.340 -0.000 0.000 0.205 430 L C 0.901 177.598 176.870 -0.289 0.000 1.075 430 L CA 1.348 56.076 54.840 -0.186 0.000 0.747 430 L CB -0.021 41.954 42.059 -0.139 0.000 0.903 430 L HN 0.084 nan 8.230 nan 0.000 0.435 431 R N -0.010 120.270 120.500 -0.366 0.000 2.480 431 R HA 0.516 4.856 4.340 -0.000 0.000 0.306 431 R C -1.152 174.940 176.300 -0.347 0.000 0.958 431 R CA -0.394 55.362 56.100 -0.574 0.000 0.861 431 R CB 2.288 31.879 30.300 -1.182 0.000 1.171 431 R HN -0.066 nan 8.270 nan 0.000 0.445 432 V N -0.662 119.099 119.914 -0.256 0.000 2.914 432 V HA 0.672 4.792 4.120 -0.000 0.000 0.314 432 V C 0.276 176.471 176.094 0.168 0.000 1.084 432 V CA -0.976 61.287 62.300 -0.062 0.000 0.963 432 V CB 1.938 33.479 31.823 -0.471 0.000 1.025 432 V HN 0.852 nan 8.190 nan 0.000 0.432 433 S N 2.121 117.967 115.700 0.244 0.000 2.624 433 S HA 0.486 4.956 4.470 -0.000 0.000 0.263 433 S C -1.706 172.752 174.600 -0.237 0.000 1.287 433 S CA -0.692 57.513 58.200 0.009 0.000 0.990 433 S CB 0.731 63.840 63.200 -0.151 0.000 0.950 433 S HN 0.723 nan 8.310 nan 0.000 0.561 434 P HA 0.071 nan 4.420 nan 0.000 0.228 434 P C 0.271 177.349 177.300 -0.370 0.000 1.151 434 P CA 0.969 63.812 63.100 -0.428 0.000 0.770 434 P CB -0.209 31.232 31.700 -0.432 0.000 0.786 435 F N -3.196 116.601 119.950 -0.256 0.000 2.765 435 F HA 0.100 4.626 4.527 -0.000 0.000 0.302 435 F C 2.399 177.775 175.800 -0.707 0.000 1.111 435 F CA -0.327 57.245 58.000 -0.713 0.000 1.359 435 F CB -0.695 37.569 39.000 -1.227 0.000 1.097 435 F HN 0.075 nan 8.300 nan 0.000 0.577 436 H N 1.345 120.268 119.070 -0.246 0.000 2.319 436 H HA -0.213 4.343 4.556 -0.000 0.000 0.297 436 H C 2.218 177.525 175.328 -0.035 0.000 1.097 436 H CA 1.679 57.703 56.048 -0.041 0.000 1.285 436 H CB 0.186 29.922 29.762 -0.044 0.000 1.368 436 H HN 0.335 nan 8.280 nan 0.000 0.495 437 A N 1.417 124.188 122.820 -0.082 0.000 1.933 437 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 437 A C 2.485 179.961 177.584 -0.179 0.000 1.175 437 A CA 1.026 52.998 52.037 -0.109 0.000 0.628 437 A CB -0.261 18.704 19.000 -0.058 0.000 0.814 437 A HN 0.306 nan 8.150 nan 0.000 0.444 438 R N -0.501 119.806 120.500 -0.322 0.000 2.092 438 R HA -0.098 4.242 4.340 -0.000 0.000 0.231 438 R C 1.877 177.989 176.300 -0.313 0.000 1.119 438 R CA 1.764 57.607 56.100 -0.428 0.000 0.970 438 R CB -1.156 28.638 30.300 -0.843 0.000 0.864 438 R HN 0.825 nan 8.270 nan 0.000 0.440 439 H N 0.416 119.307 119.070 -0.299 0.000 2.353 439 H HA -0.039 4.516 4.556 -0.000 0.000 0.300 439 H C 2.021 177.342 175.328 -0.011 0.000 1.090 439 H CA 1.214 57.231 56.048 -0.052 0.000 1.327 439 H CB 0.195 30.010 29.762 0.088 0.000 1.383 439 H HN 0.140 nan 8.280 nan 0.000 0.508 440 K N 0.728 121.160 120.400 0.053 0.000 2.097 440 K HA -0.141 4.178 4.320 -0.000 0.000 0.205 440 K C 1.998 178.615 176.600 0.028 0.000 1.050 440 K CA 1.255 57.565 56.287 0.037 0.000 0.938 440 K CB 0.032 32.512 32.500 -0.033 0.000 0.718 440 K HN 0.409 nan 8.250 nan 0.000 0.442 441 E N 0.778 120.970 120.200 -0.013 0.000 2.118 441 E HA -0.172 4.177 4.350 -0.000 0.000 0.195 441 E C 1.464 178.079 176.600 0.026 0.000 0.992 441 E CA 0.955 57.349 56.400 -0.011 0.000 0.804 441 E CB -0.041 29.623 29.700 -0.061 0.000 0.741 441 E HN 0.249 nan 8.360 nan 0.000 0.458 442 L N -0.318 120.933 121.223 0.046 0.000 2.612 442 L HA 0.177 4.517 4.340 -0.000 0.000 0.230 442 L C 0.960 177.964 176.870 0.225 0.000 1.140 442 L CA 0.085 54.997 54.840 0.120 0.000 0.896 442 L CB 0.061 42.148 42.059 0.047 0.000 1.065 442 L HN 0.224 nan 8.230 nan 0.000 0.447 443 G N 0.922 109.810 108.800 0.147 0.000 2.272 443 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.280 443 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.280 443 G C 0.403 175.307 174.900 0.007 0.000 1.067 443 G CA 0.063 45.227 45.100 0.108 0.000 0.902 443 G HN 0.507 nan 8.290 nan 0.000 0.500 444 A N -0.362 122.353 122.820 -0.175 0.000 2.531 444 A HA 0.520 4.840 4.320 -0.000 0.000 0.236 444 A C 0.089 177.250 177.584 -0.705 0.000 1.062 444 A CA 0.281 51.831 52.037 -0.813 0.000 0.760 444 A CB 0.303 18.462 19.000 -1.403 0.000 0.995 444 A HN 1.489 nan 8.150 nan 0.000 0.501 445 F N 3.229 122.576 119.950 -1.005 0.000 2.334 445 F HA 0.592 5.119 4.527 -0.000 0.000 0.367 445 F C -0.953 174.382 175.800 -0.775 0.000 1.115 445 F CA -0.808 56.679 58.000 -0.854 0.000 1.116 445 F CB 0.262 38.413 39.000 -1.415 0.000 1.230 445 F HN 0.439 nan 8.300 nan 0.000 0.484 446 F N 6.628 126.134 119.950 -0.738 0.000 2.404 446 F HA 0.553 5.080 4.527 -0.000 0.000 0.339 446 F C -0.284 175.207 175.800 -0.516 0.000 1.105 446 F CA -0.585 57.150 58.000 -0.442 0.000 1.087 446 F CB 1.170 40.021 39.000 -0.249 0.000 1.143 446 F HN 0.238 nan 8.300 nan 0.000 0.491 447 L N 1.889 123.083 121.223 -0.048 0.000 2.271 447 L HA 0.598 4.938 4.340 -0.000 0.000 0.265 447 L C -0.512 176.402 176.870 0.073 0.000 1.013 447 L CA -1.017 53.753 54.840 -0.116 0.000 0.820 447 L CB 1.938 43.789 42.059 -0.348 0.000 1.352 447 L HN 0.471 nan 8.230 nan 0.000 0.443 448 E N 0.920 121.144 120.200 0.040 0.000 2.266 448 E HA 0.770 5.120 4.350 -0.000 0.000 0.268 448 E C -2.003 174.681 176.600 0.141 0.000 0.879 448 E CA -0.686 55.780 56.400 0.110 0.000 0.762 448 E CB 2.456 32.189 29.700 0.055 0.000 1.199 448 E HN 0.652 nan 8.360 nan 0.000 0.422 449 A N 1.407 124.349 122.820 0.204 0.000 2.517 449 A HA 0.603 4.923 4.320 -0.000 0.000 0.297 449 A C 0.384 178.123 177.584 0.258 0.000 1.050 449 A CA -0.046 52.114 52.037 0.204 0.000 0.694 449 A CB 1.048 20.167 19.000 0.199 0.000 1.277 449 A HN 1.073 nan 8.150 nan 0.000 0.400 450 G N 0.521 109.445 108.800 0.207 0.000 2.203 450 G HA2 0.137 4.097 3.960 -0.000 0.000 0.263 450 G HA3 0.137 4.097 3.960 -0.000 0.000 0.263 450 G C 1.759 176.712 174.900 0.089 0.000 1.012 450 G CA 1.656 46.870 45.100 0.191 0.000 0.749 450 G HN 2.938 nan 8.290 nan 0.000 0.512 451 G N -2.554 106.287 108.800 0.068 0.000 2.253 451 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.251 451 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.251 451 G C 0.464 175.306 174.900 -0.095 0.000 0.998 451 G CA 0.517 45.580 45.100 -0.061 0.000 0.621 451 G HN 1.105 nan 8.290 nan 0.000 0.524 452 W N 2.015 123.324 121.300 0.016 0.000 2.272 452 W HA 0.622 5.281 4.660 -0.000 0.000 0.318 452 W C 0.408 176.941 176.519 0.022 0.000 1.255 452 W CA -0.703 56.647 57.345 0.009 0.000 1.200 452 W CB 0.726 30.210 29.460 0.040 0.000 1.170 452 W HN -0.057 nan 8.180 nan 0.000 0.549 453 E N 3.562 123.921 120.200 0.266 0.000 2.223 453 E HA 0.222 4.572 4.350 -0.000 0.000 0.282 453 E C -0.398 176.454 176.600 0.419 0.000 1.046 453 E CA -0.307 56.206 56.400 0.189 0.000 0.857 453 E CB 0.832 30.418 29.700 -0.189 0.000 1.055 453 E HN 0.369 nan 8.360 nan 0.000 0.409 454 R N 3.718 124.484 120.500 0.443 0.000 2.451 454 R HA 0.346 4.686 4.340 -0.000 0.000 0.307 454 R C -2.521 173.904 176.300 0.208 0.000 0.965 454 R CA -2.015 54.279 56.100 0.323 0.000 0.865 454 R CB 1.653 32.091 30.300 0.230 0.000 1.174 454 R HN 0.180 nan 8.270 nan 0.000 0.455 455 P HA -0.023 nan 4.420 nan 0.000 0.267 455 P C -0.506 176.582 177.300 -0.354 0.000 1.205 455 P CA 0.150 62.858 63.100 -0.655 0.000 0.765 455 P CB 0.419 31.403 31.700 -1.193 0.000 0.828 456 Y N 2.391 122.420 120.300 -0.452 0.000 2.509 456 Y HA 0.193 4.743 4.550 -0.000 0.000 0.270 456 Y C 0.441 176.374 175.900 0.055 0.000 1.103 456 Y CA 0.805 58.830 58.100 -0.125 0.000 1.278 456 Y CB 0.238 38.675 38.460 -0.039 0.000 1.087 456 Y HN 0.519 nan 8.280 nan 0.000 0.542 457 W N -3.403 117.813 121.300 -0.139 0.000 2.929 457 W HA 0.547 5.206 4.660 -0.000 0.000 0.363 457 W C -2.356 173.885 176.519 -0.463 0.000 1.168 457 W CA -2.045 55.205 57.345 -0.158 0.000 1.163 457 W CB -0.047 29.405 29.460 -0.014 0.000 1.455 457 W HN -0.319 nan 8.180 nan 0.000 0.568 458 F N 1.902 122.023 119.950 0.284 0.000 2.507 458 F HA 0.373 4.900 4.527 -0.000 0.000 0.328 458 F C 1.332 177.276 175.800 0.240 0.000 1.136 458 F CA -0.847 57.234 58.000 0.135 0.000 0.930 458 F CB 2.215 41.244 39.000 0.047 0.000 1.166 458 F HN 0.600 nan 8.300 nan 0.000 0.436 459 E N 1.933 122.346 120.200 0.355 0.000 2.209 459 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 459 E C 2.135 178.862 176.600 0.213 0.000 0.993 459 E CA 1.253 57.820 56.400 0.278 0.000 0.819 459 E CB 0.029 29.860 29.700 0.219 0.000 0.745 459 E HN 0.788 nan 8.360 nan 0.000 0.477 460 A N 1.899 124.854 122.820 0.225 0.000 1.948 460 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 460 A C 1.738 179.415 177.584 0.154 0.000 1.177 460 A CA 1.529 53.672 52.037 0.175 0.000 0.636 460 A CB -0.413 18.694 19.000 0.179 0.000 0.815 460 A HN 0.177 nan 8.150 nan 0.000 0.449 461 N N 0.112 118.922 118.700 0.183 0.000 2.515 461 N HA 0.058 4.798 4.740 -0.000 0.000 0.185 461 N C 1.558 177.128 175.510 0.100 0.000 1.109 461 N CA 0.933 54.063 53.050 0.133 0.000 0.903 461 N CB -0.328 38.247 38.487 0.147 0.000 0.969 461 N HN 0.520 nan 8.380 nan 0.000 0.450 462 A N 0.990 123.868 122.820 0.096 0.000 2.019 462 A HA 0.031 4.351 4.320 -0.000 0.000 0.219 462 A C 2.303 179.918 177.584 0.052 0.000 1.164 462 A CA 1.466 53.534 52.037 0.052 0.000 0.644 462 A CB -0.448 18.580 19.000 0.047 0.000 0.805 462 A HN 0.275 nan 8.150 nan 0.000 0.449 463 A N -0.348 122.511 122.820 0.065 0.000 2.125 463 A HA 0.047 4.367 4.320 -0.000 0.000 0.219 463 A C 1.940 179.564 177.584 0.067 0.000 1.156 463 A CA 1.204 53.276 52.037 0.058 0.000 0.671 463 A CB -0.497 18.538 19.000 0.058 0.000 0.794 463 A HN 0.495 nan 8.150 nan 0.000 0.459 464 L N -0.930 120.347 121.223 0.090 0.000 2.395 464 L HA -0.010 4.330 4.340 -0.000 0.000 0.218 464 L C 2.132 179.097 176.870 0.157 0.000 1.130 464 L CA 0.182 55.115 54.840 0.154 0.000 0.826 464 L CB -0.372 41.802 42.059 0.191 0.000 0.941 464 L HN 0.351 nan 8.230 nan 0.000 0.451 465 L N 0.609 121.877 121.223 0.076 0.000 2.083 465 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 465 L C 2.653 179.513 176.870 -0.017 0.000 1.083 465 L CA 1.405 56.255 54.840 0.016 0.000 0.752 465 L CB -0.465 41.587 42.059 -0.012 0.000 0.899 465 L HN 0.373 nan 8.230 nan 0.000 0.433 466 K N 0.729 121.133 120.400 0.006 0.000 2.442 466 K HA -0.163 4.157 4.320 -0.000 0.000 0.198 466 K C 1.346 177.938 176.600 -0.013 0.000 1.042 466 K CA 1.399 57.681 56.287 -0.008 0.000 0.958 466 K CB -0.136 32.366 32.500 0.004 0.000 0.766 466 K HN 0.546 nan 8.250 nan 0.000 0.474 467 E N 0.645 120.851 120.200 0.010 0.000 2.498 467 E HA 0.073 4.423 4.350 -0.000 0.000 0.203 467 E C 0.346 176.846 176.600 -0.167 0.000 1.013 467 E CA -0.433 55.971 56.400 0.008 0.000 0.927 467 E CB 0.039 29.810 29.700 0.118 0.000 1.012 467 E HN 0.219 nan 8.360 nan 0.000 0.482 468 M N 2.850 122.229 119.600 -0.369 0.000 2.219 468 M HA 0.214 4.694 4.480 -0.000 0.000 0.353 468 M C -2.279 173.664 176.300 -0.594 0.000 1.304 468 M CA -1.857 52.851 55.300 -0.988 0.000 1.115 468 M CB 0.635 32.834 32.600 -0.670 0.000 1.664 468 M HN -0.173 nan 8.290 nan 0.000 0.459 469 P HA 0.054 nan 4.420 nan 0.000 0.266 469 P C -0.352 176.895 177.300 -0.088 0.000 1.195 469 P CA 0.028 63.013 63.100 -0.192 0.000 0.768 469 P CB 0.603 32.286 31.700 -0.028 0.000 0.838 470 A N 3.833 126.616 122.820 -0.063 0.000 1.978 470 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 470 A C 1.816 179.376 177.584 -0.040 0.000 1.170 470 A CA 1.581 53.591 52.037 -0.046 0.000 0.636 470 A CB -0.921 18.055 19.000 -0.041 0.000 0.810 470 A HN 0.701 nan 8.150 nan 0.000 0.448 471 E N -1.098 119.057 120.200 -0.075 0.000 2.265 471 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 471 E C 1.453 177.921 176.600 -0.220 0.000 0.996 471 E CA 1.185 57.481 56.400 -0.174 0.000 0.832 471 E CB -0.508 29.027 29.700 -0.275 0.000 0.756 471 E HN 0.887 nan 8.360 nan 0.000 0.491 472 W N 0.895 122.149 121.300 -0.076 0.000 2.863 472 W HA 0.230 4.890 4.660 -0.000 0.000 0.258 472 W C 0.600 177.128 176.519 0.016 0.000 1.298 472 W CA -0.774 56.557 57.345 -0.022 0.000 1.451 472 W CB 0.151 29.519 29.460 -0.153 0.000 1.107 472 W HN -0.026 nan 8.180 nan 0.000 0.641 473 L N 4.600 125.908 121.223 0.140 0.000 2.433 473 L HA 0.246 4.586 4.340 -0.000 0.000 0.275 473 L C -1.540 175.367 176.870 0.062 0.000 1.128 473 L CA -1.868 53.015 54.840 0.071 0.000 0.875 473 L CB -0.213 41.849 42.059 0.004 0.000 1.171 473 L HN -0.272 nan 8.230 nan 0.000 0.463 474 P HA 0.406 nan 4.420 nan 0.000 0.276 474 P C -2.694 174.526 177.300 -0.133 0.000 1.252 474 P CA -1.264 61.763 63.100 -0.122 0.000 0.802 474 P CB -0.202 31.279 31.700 -0.365 0.000 1.035 475 P HA 0.184 nan 4.420 nan 0.000 0.275 475 P C -0.428 176.802 177.300 -0.117 0.000 1.266 475 P CA -0.367 62.676 63.100 -0.096 0.000 0.793 475 P CB 0.105 31.774 31.700 -0.051 0.000 1.074 476 A N 1.372 124.147 122.820 -0.075 0.000 2.520 476 A HA 0.140 4.460 4.320 -0.000 0.000 0.235 476 A C 0.533 178.079 177.584 -0.064 0.000 1.065 476 A CA 0.065 52.061 52.037 -0.068 0.000 0.764 476 A CB -0.307 18.666 19.000 -0.044 0.000 1.002 476 A HN 0.448 nan 8.150 nan 0.000 0.502 477 R N 0.800 121.264 120.500 -0.059 0.000 2.598 477 R HA 0.307 4.647 4.340 -0.000 0.000 0.279 477 R C -0.434 175.870 176.300 0.007 0.000 0.984 477 R CA -0.723 55.362 56.100 -0.026 0.000 0.999 477 R CB 1.009 31.292 30.300 -0.029 0.000 1.114 477 R HN 0.925 nan 8.270 nan 0.000 0.493 478 D N 1.164 121.596 120.400 0.054 0.000 2.363 478 D HA 0.006 4.646 4.640 -0.000 0.000 0.240 478 D C 0.794 177.147 176.300 0.088 0.000 1.236 478 D CA -0.183 53.863 54.000 0.077 0.000 0.927 478 D CB 0.572 41.449 40.800 0.128 0.000 1.150 478 D HN 0.463 nan 8.370 nan 0.000 0.458 479 A N 0.566 123.432 122.820 0.077 0.000 1.908 479 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 479 A C 2.063 179.743 177.584 0.160 0.000 1.181 479 A CA 1.365 53.447 52.037 0.074 0.000 0.627 479 A CB -1.261 17.775 19.000 0.060 0.000 0.818 479 A HN 0.815 nan 8.150 nan 0.000 0.445 480 W N 1.347 122.666 121.300 0.032 0.000 2.378 480 W HA -0.190 4.470 4.660 -0.000 0.000 0.313 480 W C 2.623 179.341 176.519 0.331 0.000 1.197 480 W CA 2.252 59.703 57.345 0.178 0.000 1.304 480 W CB -0.305 29.217 29.460 0.105 0.000 1.148 480 W HN 0.515 nan 8.180 nan 0.000 0.494 481 S N 0.006 115.979 115.700 0.456 0.000 2.474 481 S HA -0.050 4.420 4.470 -0.000 0.000 0.235 481 S C 1.855 176.542 174.600 0.144 0.000 0.997 481 S CA 1.301 59.698 58.200 0.328 0.000 0.949 481 S CB -0.846 62.526 63.200 0.285 0.000 0.766 481 S HN 0.209 nan 8.310 nan 0.000 0.517 482 G N 0.914 109.748 108.800 0.055 0.000 2.650 482 G HA2 0.213 4.173 3.960 -0.000 0.000 0.214 482 G HA3 0.213 4.173 3.960 -0.000 0.000 0.214 482 G C 0.521 175.308 174.900 -0.189 0.000 1.136 482 G CA -0.289 44.775 45.100 -0.060 0.000 0.789 482 G HN 0.495 nan 8.290 nan 0.000 0.536 483 M N 0.153 119.568 119.600 -0.309 0.000 2.238 483 M HA 0.278 4.758 4.480 -0.000 0.000 0.350 483 M C -0.086 175.882 176.300 -0.553 0.000 1.321 483 M CA 0.198 55.086 55.300 -0.686 0.000 1.097 483 M CB -0.041 31.946 32.600 -1.022 0.000 1.713 483 M HN 0.234 nan 8.290 nan 0.000 0.455 484 F N -0.105 119.740 119.950 -0.176 0.000 3.074 484 F HA -0.259 4.268 4.527 -0.000 0.000 0.287 484 F C 0.396 176.304 175.800 0.181 0.000 0.932 484 F CA 0.415 58.429 58.000 0.024 0.000 0.995 484 F CB -1.785 37.189 39.000 -0.044 0.000 0.966 484 F HN 0.635 nan 8.300 nan 0.000 0.721 485 S N -0.541 115.192 115.700 0.056 0.000 2.569 485 S HA 0.840 5.310 4.470 -0.000 0.000 0.280 485 S C -0.688 173.519 174.600 -0.654 0.000 1.111 485 S CA 0.139 58.271 58.200 -0.113 0.000 0.887 485 S CB 2.356 65.541 63.200 -0.025 0.000 1.095 485 S HN 0.409 nan 8.310 nan 0.000 0.476 486 S N 1.932 117.068 115.700 -0.940 0.000 2.546 486 S HA 0.658 5.128 4.470 -0.000 0.000 0.274 486 S C -2.347 171.913 174.600 -0.566 0.000 1.121 486 S CA -1.395 56.204 58.200 -1.003 0.000 0.887 486 S CB 1.480 63.464 63.200 -2.027 0.000 1.094 486 S HN 0.537 nan 8.310 nan 0.000 0.474 487 P HA 0.057 nan 4.420 nan 0.000 0.225 487 P C 1.225 178.365 177.300 -0.267 0.000 1.148 487 P CA 0.771 63.719 63.100 -0.253 0.000 0.779 487 P CB -0.098 31.489 31.700 -0.187 0.000 0.780 488 I N -0.325 120.028 120.570 -0.361 0.000 2.361 488 I HA -0.245 3.925 4.170 -0.000 0.000 0.251 488 I C 2.301 178.311 176.117 -0.178 0.000 1.133 488 I CA 1.253 62.410 61.300 -0.238 0.000 1.413 488 I CB -0.703 37.147 38.000 -0.250 0.000 1.073 488 I HN -0.058 nan 8.210 nan 0.000 0.424 489 A N 0.802 123.476 122.820 -0.242 0.000 1.972 489 A HA -0.155 4.164 4.320 -0.000 0.000 0.219 489 A C 2.560 179.857 177.584 -0.477 0.000 1.169 489 A CA 1.749 53.688 52.037 -0.165 0.000 0.635 489 A CB -0.658 18.333 19.000 -0.015 0.000 0.810 489 A HN 0.436 nan 8.150 nan 0.000 0.446 490 A N -0.106 122.326 122.820 -0.646 0.000 1.902 490 A HA 0.172 4.492 4.320 -0.000 0.000 0.217 490 A C 2.483 179.941 177.584 -0.211 0.000 1.181 490 A CA 1.953 53.572 52.037 -0.698 0.000 0.623 490 A CB -0.939 17.894 19.000 -0.279 0.000 0.818 490 A HN 1.036 nan 8.150 nan 0.000 0.443 491 A N -0.151 122.618 122.820 -0.086 0.000 1.933 491 A HA -0.153 4.166 4.320 -0.000 0.000 0.218 491 A C 1.899 179.495 177.584 0.021 0.000 1.175 491 A CA 1.582 53.677 52.037 0.097 0.000 0.628 491 A CB -0.472 18.602 19.000 0.123 0.000 0.814 491 A HN 0.646 nan 8.150 nan 0.000 0.444 492 E N -0.249 119.934 120.200 -0.028 0.000 2.150 492 E HA -0.047 4.303 4.350 -0.000 0.000 0.193 492 E C 2.274 178.866 176.600 -0.013 0.000 0.985 492 E CA 0.775 57.168 56.400 -0.012 0.000 0.814 492 E CB -0.241 29.505 29.700 0.077 0.000 0.752 492 E HN 0.624 nan 8.360 nan 0.000 0.466 493 A N 1.231 124.035 122.820 -0.027 0.000 1.898 493 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 493 A C 1.879 179.360 177.584 -0.171 0.000 1.181 493 A CA 1.175 53.236 52.037 0.041 0.000 0.620 493 A CB -0.920 18.194 19.000 0.190 0.000 0.819 493 A HN 0.508 nan 8.150 nan 0.000 0.442 494 W N 1.238 122.149 121.300 -0.648 0.000 2.335 494 W HA -0.176 4.484 4.660 -0.000 0.000 0.311 494 W C 1.708 177.810 176.519 -0.695 0.000 1.213 494 W CA 2.161 58.699 57.345 -1.344 0.000 1.274 494 W CB -0.176 28.535 29.460 -1.249 0.000 1.148 494 W HN 0.106 nan 8.180 nan 0.000 0.498 495 K N -0.187 119.777 120.400 -0.726 0.000 2.155 495 K HA -0.040 4.280 4.320 -0.000 0.000 0.203 495 K C 1.973 178.356 176.600 -0.363 0.000 1.052 495 K CA 1.807 57.649 56.287 -0.742 0.000 0.948 495 K CB -1.116 31.029 32.500 -0.593 0.000 0.728 495 K HN 0.199 nan 8.250 nan 0.000 0.448 496 T N 1.236 115.686 114.554 -0.173 0.000 2.788 496 T HA -0.072 4.278 4.350 -0.000 0.000 0.268 496 T C 1.824 176.510 174.700 -0.025 0.000 1.044 496 T CA 0.960 63.066 62.100 0.011 0.000 1.139 496 T CB 0.060 69.048 68.868 0.199 0.000 0.867 496 T HN 0.132 nan 8.240 nan 0.000 0.454 497 R N 0.906 121.357 120.500 -0.080 0.000 2.193 497 R HA 0.024 4.364 4.340 -0.000 0.000 0.213 497 R C 2.415 178.730 176.300 0.026 0.000 1.055 497 R CA 1.505 57.614 56.100 0.016 0.000 0.995 497 R CB -0.391 29.995 30.300 0.143 0.000 0.893 497 R HN 0.595 nan 8.270 nan 0.000 0.459 498 T N -4.729 109.753 114.554 -0.120 0.000 2.975 498 T HA 0.481 4.831 4.350 -0.000 0.000 0.261 498 T C 0.949 175.557 174.700 -0.152 0.000 0.984 498 T CA 0.251 62.293 62.100 -0.097 0.000 0.911 498 T CB 0.707 69.517 68.868 -0.098 0.000 1.127 498 T HN 0.114 nan 8.240 nan 0.000 0.514 499 A N 0.712 123.404 122.820 -0.213 0.000 2.597 499 A HA 0.894 5.214 4.320 -0.000 0.000 0.191 499 A C -0.783 176.715 177.584 -0.142 0.000 1.336 499 A CA 0.112 52.036 52.037 -0.189 0.000 1.516 499 A CB 0.837 19.664 19.000 -0.288 0.000 1.849 499 A HN 0.853 nan 8.150 nan 0.000 0.640 500 V N -0.901 118.917 119.914 -0.160 0.000 3.000 500 V HA 0.694 4.813 4.120 -0.000 0.000 0.300 500 V C -1.434 174.579 176.094 -0.135 0.000 1.251 500 V CA 0.182 62.410 62.300 -0.120 0.000 0.972 500 V CB 1.465 33.200 31.823 -0.147 0.000 1.065 500 V HN 1.857 nan 8.190 nan 0.000 0.431 501 A N 6.742 129.530 122.820 -0.053 0.000 2.454 501 A HA 0.963 5.283 4.320 -0.000 0.000 0.302 501 A C -1.025 176.512 177.584 -0.080 0.000 1.079 501 A CA -0.778 51.212 52.037 -0.079 0.000 0.731 501 A CB 2.121 21.117 19.000 -0.007 0.000 1.299 501 A HN 0.906 nan 8.150 nan 0.000 0.413 502 M N 2.093 121.574 119.600 -0.199 0.000 2.078 502 M HA 0.382 4.862 4.480 -0.000 0.000 0.320 502 M C -1.737 174.497 176.300 -0.110 0.000 0.969 502 M CA -0.004 55.169 55.300 -0.212 0.000 0.929 502 M CB 1.058 33.381 32.600 -0.462 0.000 1.504 502 M HN 0.693 nan 8.290 nan 0.000 0.419 503 Y N 0.690 120.985 120.300 -0.008 0.000 2.361 503 Y HA 0.270 4.820 4.550 -0.000 0.000 0.332 503 Y C 0.267 176.230 175.900 0.106 0.000 1.101 503 Y CA -0.566 57.601 58.100 0.112 0.000 1.137 503 Y CB 0.998 39.570 38.460 0.187 0.000 1.207 503 Y HN 0.471 nan 8.280 nan 0.000 0.463 504 D N 3.340 123.946 120.400 0.342 0.000 2.380 504 D HA 0.143 4.783 4.640 -0.000 0.000 0.230 504 D C 0.032 176.427 176.300 0.158 0.000 1.154 504 D CA -0.115 54.109 54.000 0.374 0.000 0.859 504 D CB 0.752 41.885 40.800 0.554 0.000 1.045 504 D HN 0.401 nan 8.370 nan 0.000 0.495 505 M N 2.599 122.261 119.600 0.103 0.000 2.383 505 M HA 0.036 4.516 4.480 -0.000 0.000 0.247 505 M C 1.548 177.807 176.300 -0.068 0.000 1.117 505 M CA 0.037 55.328 55.300 -0.015 0.000 0.995 505 M CB -0.546 32.067 32.600 0.022 0.000 1.480 505 M HN 0.231 nan 8.290 nan 0.000 0.485 506 T N 2.006 116.514 114.554 -0.077 0.000 2.699 506 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 506 T C -0.781 173.551 174.700 -0.614 0.000 1.036 506 T CA 1.604 63.555 62.100 -0.248 0.000 1.147 506 T CB -1.083 67.619 68.868 -0.277 0.000 0.862 506 T HN 0.251 nan 8.240 nan 0.000 0.446 507 P HA 0.098 nan 4.420 nan 0.000 0.226 507 P C -0.079 176.883 177.300 -0.562 0.000 1.153 507 P CA 0.306 62.593 63.100 -1.355 0.000 0.777 507 P CB -0.144 30.935 31.700 -1.036 0.000 0.794 508 L N 0.292 121.358 121.223 -0.261 0.000 2.462 508 L HA 0.058 4.398 4.340 -0.000 0.000 0.272 508 L C 0.888 177.772 176.870 0.023 0.000 1.166 508 L CA 0.068 54.875 54.840 -0.055 0.000 0.880 508 L CB -0.407 41.672 42.059 0.033 0.000 1.142 508 L HN -0.213 nan 8.230 nan 0.000 0.473 509 K N 4.140 124.584 120.400 0.073 0.000 2.491 509 K HA 0.063 4.383 4.320 -0.000 0.000 0.279 509 K C -0.356 176.307 176.600 0.104 0.000 1.026 509 K CA 0.806 57.158 56.287 0.107 0.000 1.070 509 K CB 0.184 32.756 32.500 0.120 0.000 0.887 509 K HN 0.430 nan 8.250 nan 0.000 0.481 510 R N 4.877 125.434 120.500 0.096 0.000 2.451 510 R HA 0.394 4.733 4.340 -0.000 0.000 0.307 510 R C -0.907 175.412 176.300 0.031 0.000 0.965 510 R CA -0.643 55.495 56.100 0.064 0.000 0.865 510 R CB 0.848 31.197 30.300 0.081 0.000 1.174 510 R HN 0.530 nan 8.270 nan 0.000 0.455 511 L N 1.920 123.132 121.223 -0.020 0.000 2.334 511 L HA 0.495 4.834 4.340 -0.000 0.000 0.276 511 L C -0.031 176.792 176.870 -0.079 0.000 1.014 511 L CA -0.697 54.110 54.840 -0.056 0.000 0.815 511 L CB 2.062 44.040 42.059 -0.135 0.000 1.268 511 L HN 0.512 nan 8.230 nan 0.000 0.428 512 E N 2.180 122.348 120.200 -0.053 0.000 2.158 512 E HA 0.472 4.822 4.350 -0.000 0.000 0.271 512 E C -1.684 174.893 176.600 -0.039 0.000 0.911 512 E CA -0.614 55.763 56.400 -0.038 0.000 0.767 512 E CB 2.099 31.792 29.700 -0.012 0.000 1.120 512 E HN 0.322 nan 8.360 nan 0.000 0.405 513 V N 4.244 124.142 119.914 -0.027 0.000 2.357 513 V HA 0.368 4.487 4.120 -0.000 0.000 0.284 513 V C -0.235 175.902 176.094 0.073 0.000 1.018 513 V CA -0.433 61.849 62.300 -0.029 0.000 0.841 513 V CB 1.130 32.860 31.823 -0.154 0.000 0.991 513 V HN 0.740 nan 8.190 nan 0.000 0.437 514 S N 3.001 118.737 115.700 0.060 0.000 2.627 514 S HA 1.023 5.492 4.470 -0.000 0.000 0.283 514 S C -0.233 174.356 174.600 -0.018 0.000 1.127 514 S CA -0.204 58.031 58.200 0.059 0.000 0.863 514 S CB 2.217 65.462 63.200 0.074 0.000 1.121 514 S HN 2.124 nan 8.310 nan 0.000 0.479 515 G N 1.127 109.824 108.800 -0.172 0.000 2.515 515 G HA2 0.123 4.083 3.960 -0.000 0.000 0.686 515 G HA3 0.123 4.083 3.960 -0.000 0.000 0.686 515 G C -2.690 171.861 174.900 -0.583 0.000 1.274 515 G CA -0.272 44.422 45.100 -0.676 0.000 0.874 515 G HN 0.591 nan 8.290 nan 0.000 0.631 516 P HA 0.025 nan 4.420 nan 0.000 0.223 516 P C 1.597 178.705 177.300 -0.321 0.000 1.151 516 P CA 1.790 64.599 63.100 -0.485 0.000 0.787 516 P CB 0.014 31.401 31.700 -0.522 0.000 0.788 517 G N -0.407 108.181 108.800 -0.353 0.000 3.042 517 G HA2 0.165 4.125 3.960 -0.000 0.000 0.212 517 G HA3 0.165 4.125 3.960 -0.000 0.000 0.212 517 G C 1.559 176.382 174.900 -0.129 0.000 1.166 517 G CA 0.534 45.527 45.100 -0.178 0.000 0.767 517 G HN 0.276 nan 8.290 nan 0.000 0.546 518 A N 0.927 123.673 122.820 -0.125 0.000 1.883 518 A HA -0.024 4.295 4.320 -0.000 0.000 0.217 518 A C 2.246 179.667 177.584 -0.272 0.000 1.186 518 A CA 1.612 53.575 52.037 -0.123 0.000 0.624 518 A CB -0.390 18.638 19.000 0.046 0.000 0.822 518 A HN 0.472 nan 8.150 nan 0.000 0.444 519 L N 0.113 121.253 121.223 -0.139 0.000 2.017 519 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 519 L C 2.327 179.102 176.870 -0.159 0.000 1.073 519 L CA 2.769 57.493 54.840 -0.193 0.000 0.745 519 L CB -0.616 41.493 42.059 0.084 0.000 0.894 519 L HN 0.485 nan 8.230 nan 0.000 0.432 520 K N -0.755 119.591 120.400 -0.089 0.000 2.044 520 K HA -0.255 4.065 4.320 -0.000 0.000 0.210 520 K C 2.196 178.757 176.600 -0.065 0.000 1.049 520 K CA 2.128 58.380 56.287 -0.058 0.000 0.927 520 K CB -0.420 32.056 32.500 -0.040 0.000 0.713 520 K HN 0.354 nan 8.250 nan 0.000 0.443 521 L N 1.425 122.596 121.223 -0.087 0.000 2.017 521 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 521 L C 2.057 178.887 176.870 -0.066 0.000 1.073 521 L CA 1.570 56.373 54.840 -0.062 0.000 0.745 521 L CB -0.292 41.735 42.059 -0.054 0.000 0.894 521 L HN 0.239 nan 8.230 nan 0.000 0.432 522 L N -1.128 119.999 121.223 -0.160 0.000 2.156 522 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 522 L C 2.637 179.444 176.870 -0.105 0.000 1.095 522 L CA 0.520 55.266 54.840 -0.157 0.000 0.770 522 L CB -0.683 41.136 42.059 -0.400 0.000 0.914 522 L HN 0.340 nan 8.230 nan 0.000 0.439 523 Q N -0.008 119.730 119.800 -0.103 0.000 2.135 523 Q HA -0.252 4.087 4.340 -0.000 0.000 0.204 523 Q C 2.056 178.069 176.000 0.023 0.000 0.981 523 Q CA 1.548 57.328 55.803 -0.038 0.000 0.856 523 Q CB -0.048 28.679 28.738 -0.018 0.000 0.902 523 Q HN 0.422 nan 8.270 nan 0.000 0.425 524 E N 0.350 120.566 120.200 0.027 0.000 2.170 524 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 524 E C 1.887 178.537 176.600 0.082 0.000 0.981 524 E CA 0.508 56.951 56.400 0.071 0.000 0.830 524 E CB -0.028 29.701 29.700 0.048 0.000 0.775 524 E HN 0.266 nan 8.360 nan 0.000 0.470 525 L N 0.244 121.495 121.223 0.046 0.000 2.270 525 L HA 0.103 4.443 4.340 -0.000 0.000 0.210 525 L C 1.297 178.195 176.870 0.047 0.000 1.104 525 L CA 0.968 55.840 54.840 0.053 0.000 0.804 525 L CB -0.415 41.674 42.059 0.050 0.000 0.937 525 L HN 0.159 nan 8.230 nan 0.000 0.450 526 T N -4.432 110.124 114.554 0.003 0.000 2.937 526 T HA 0.224 4.574 4.350 -0.000 0.000 0.283 526 T C 0.861 175.412 174.700 -0.248 0.000 1.012 526 T CA -0.019 62.029 62.100 -0.088 0.000 0.997 526 T CB 1.581 70.395 68.868 -0.091 0.000 1.136 526 T HN 0.107 nan 8.240 nan 0.000 0.551 527 T N -2.063 112.253 114.554 -0.396 0.000 3.163 527 T HA 0.566 4.916 4.350 -0.000 0.000 0.252 527 T C 0.517 174.876 174.700 -0.569 0.000 1.056 527 T CA -0.255 61.372 62.100 -0.788 0.000 0.947 527 T CB -0.423 68.066 68.868 -0.631 0.000 1.016 527 T HN 0.956 nan 8.240 nan 0.000 0.554 528 A N 0.991 123.611 122.820 -0.333 0.000 2.337 528 A HA 0.631 4.951 4.320 -0.000 0.000 0.331 528 A C -0.684 176.826 177.584 -0.124 0.000 1.137 528 A CA -0.767 51.158 52.037 -0.187 0.000 0.807 528 A CB 1.056 19.995 19.000 -0.102 0.000 1.250 528 A HN 0.268 nan 8.150 nan 0.000 0.468 529 D N 1.744 122.108 120.400 -0.061 0.000 2.411 529 D HA 0.338 4.978 4.640 -0.000 0.000 0.225 529 D C 0.252 176.563 176.300 0.017 0.000 1.156 529 D CA -0.024 53.968 54.000 -0.013 0.000 0.874 529 D CB 0.212 41.017 40.800 0.009 0.000 1.034 529 D HN 0.354 nan 8.370 nan 0.000 0.502 530 L N 2.536 123.773 121.223 0.024 0.000 2.592 530 L HA 0.275 4.615 4.340 -0.000 0.000 0.227 530 L C 1.231 178.178 176.870 0.128 0.000 1.127 530 L CA -0.230 54.660 54.840 0.083 0.000 0.884 530 L CB 0.125 42.222 42.059 0.065 0.000 1.065 530 L HN 0.389 nan 8.230 nan 0.000 0.457 531 A N 0.931 123.800 122.820 0.082 0.000 3.056 531 A HA 0.400 4.720 4.320 -0.000 0.000 0.274 531 A C -0.004 177.619 177.584 0.065 0.000 1.661 531 A CA -0.003 52.084 52.037 0.082 0.000 1.363 531 A CB -0.576 18.457 19.000 0.055 0.000 1.139 531 A HN 0.154 nan 8.150 nan 0.000 0.598 532 K N 0.656 121.099 120.400 0.072 0.000 2.395 532 K HA 0.450 4.769 4.320 -0.000 0.000 0.247 532 K C -0.541 176.072 176.600 0.022 0.000 0.973 532 K CA -0.757 55.557 56.287 0.045 0.000 0.828 532 K CB 1.612 34.142 32.500 0.050 0.000 1.272 532 K HN 0.400 nan 8.250 nan 0.000 0.439 533 K N 1.901 122.306 120.400 0.008 0.000 2.527 533 K HA 0.054 4.374 4.320 -0.000 0.000 0.278 533 K C -2.277 174.303 176.600 -0.035 0.000 0.981 533 K CA -1.150 55.128 56.287 -0.015 0.000 1.009 533 K CB -0.356 32.137 32.500 -0.012 0.000 0.895 533 K HN 0.312 nan 8.250 nan 0.000 0.493 534 P HA -0.108 nan 4.420 nan 0.000 0.266 534 P C 0.639 177.894 177.300 -0.076 0.000 1.186 534 P CA 0.807 63.839 63.100 -0.114 0.000 0.767 534 P CB 0.495 32.109 31.700 -0.143 0.000 0.820 535 G N 0.447 109.200 108.800 -0.078 0.000 2.296 535 G HA2 -0.016 3.943 3.960 -0.000 0.000 0.188 535 G HA3 -0.016 3.943 3.960 -0.000 0.000 0.188 535 G C 0.245 175.136 174.900 -0.015 0.000 1.000 535 G CA -0.024 45.048 45.100 -0.048 0.000 0.672 535 G HN 0.820 nan 8.290 nan 0.000 0.483 536 A N 0.338 123.158 122.820 0.001 0.000 2.354 536 A HA 0.733 5.053 4.320 -0.000 0.000 0.269 536 A C 0.157 177.774 177.584 0.054 0.000 1.109 536 A CA 0.060 52.125 52.037 0.047 0.000 0.800 536 A CB 1.214 20.256 19.000 0.069 0.000 1.045 536 A HN 1.077 nan 8.150 nan 0.000 0.489 537 V N 2.493 122.455 119.914 0.080 0.000 2.417 537 V HA 0.542 4.662 4.120 -0.000 0.000 0.291 537 V C 0.016 176.271 176.094 0.270 0.000 1.024 537 V CA -0.247 62.094 62.300 0.067 0.000 0.861 537 V CB 1.516 33.248 31.823 -0.151 0.000 0.985 537 V HN 0.936 nan 8.190 nan 0.000 0.436 538 T N 4.459 119.163 114.554 0.251 0.000 2.841 538 T HA 0.394 4.744 4.350 -0.000 0.000 0.285 538 T C -0.928 173.969 174.700 0.328 0.000 0.991 538 T CA -0.363 61.919 62.100 0.304 0.000 0.966 538 T CB 1.037 70.005 68.868 0.167 0.000 0.962 538 T HN 0.522 nan 8.240 nan 0.000 0.438 539 Y N 2.824 123.309 120.300 0.308 0.000 2.377 539 Y HA 0.537 5.086 4.550 -0.000 0.000 0.330 539 Y C 0.418 176.373 175.900 0.093 0.000 1.108 539 Y CA 0.415 58.656 58.100 0.235 0.000 1.308 539 Y CB 0.762 39.408 38.460 0.310 0.000 1.216 539 Y HN 0.685 nan 8.280 nan 0.000 0.518 540 T N 5.949 120.186 114.554 -0.528 0.000 2.762 540 T HA 0.612 4.962 4.350 -0.000 0.000 0.301 540 T C -1.570 172.802 174.700 -0.547 0.000 1.299 540 T CA -0.785 61.033 62.100 -0.469 0.000 1.005 540 T CB 0.661 69.398 68.868 -0.219 0.000 1.377 540 T HN 0.618 nan 8.240 nan 0.000 0.504 541 L N 2.105 123.089 121.223 -0.398 0.000 2.333 541 L HA 0.659 4.998 4.340 -0.000 0.000 0.269 541 L C -0.753 175.990 176.870 -0.211 0.000 1.010 541 L CA -1.153 53.501 54.840 -0.310 0.000 0.818 541 L CB 1.726 43.615 42.059 -0.282 0.000 1.306 541 L HN 0.444 nan 8.230 nan 0.000 0.430 542 L N 3.404 124.510 121.223 -0.195 0.000 2.287 542 L HA 0.542 4.882 4.340 -0.000 0.000 0.287 542 L C -0.460 176.301 176.870 -0.182 0.000 1.022 542 L CA -0.379 54.355 54.840 -0.176 0.000 0.814 542 L CB 1.376 43.282 42.059 -0.255 0.000 1.217 542 L HN 0.397 nan 8.230 nan 0.000 0.420 543 L N 1.611 122.766 121.223 -0.113 0.000 2.358 543 L HA 0.491 4.831 4.340 -0.000 0.000 0.268 543 L C -0.189 176.593 176.870 -0.146 0.000 1.032 543 L CA -0.996 53.788 54.840 -0.093 0.000 0.805 543 L CB 1.551 43.608 42.059 -0.003 0.000 1.253 543 L HN 0.582 nan 8.230 nan 0.000 0.452 544 D N -2.457 117.869 120.400 -0.124 0.000 2.466 544 D HA 0.071 4.711 4.640 -0.000 0.000 0.262 544 D C 0.861 177.087 176.300 -0.123 0.000 1.177 544 D CA -0.322 53.599 54.000 -0.131 0.000 1.035 544 D CB 0.371 41.136 40.800 -0.058 0.000 1.105 544 D HN 0.375 nan 8.370 nan 0.000 0.551 545 H N -0.655 118.421 119.070 0.010 0.000 2.518 545 H HA 0.023 4.579 4.556 -0.000 0.000 0.289 545 H C 1.320 176.646 175.328 -0.004 0.000 1.051 545 H CA 1.322 57.372 56.048 0.004 0.000 1.280 545 H CB 0.052 29.819 29.762 0.008 0.000 1.380 545 H HN 0.572 nan 8.280 nan 0.000 0.566 546 A N -0.078 122.791 122.820 0.082 0.000 2.251 546 A HA 0.318 4.638 4.320 -0.000 0.000 0.209 546 A C 2.007 179.611 177.584 0.034 0.000 1.187 546 A CA 0.830 52.894 52.037 0.045 0.000 0.823 546 A CB -0.070 18.944 19.000 0.023 0.000 0.846 546 A HN 0.461 nan 8.150 nan 0.000 0.486 547 G N -1.668 107.148 108.800 0.027 0.000 2.176 547 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.253 547 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.253 547 G C 0.727 175.645 174.900 0.029 0.000 0.979 547 G CA 0.255 45.380 45.100 0.041 0.000 0.641 547 G HN 1.389 nan 8.290 nan 0.000 0.530 548 G N -0.773 108.033 108.800 0.011 0.000 2.527 548 G HA2 0.545 4.504 3.960 -0.000 0.000 0.248 548 G HA3 0.545 4.504 3.960 -0.000 0.000 0.248 548 G C 0.212 175.124 174.900 0.020 0.000 1.231 548 G CA 0.204 45.310 45.100 0.011 0.000 0.838 548 G HN 0.952 nan 8.290 nan 0.000 0.570 549 V N 2.973 122.933 119.914 0.078 0.000 2.353 549 V HA 0.149 4.269 4.120 -0.000 0.000 0.264 549 V C 1.413 177.635 176.094 0.214 0.000 1.049 549 V CA -0.259 62.106 62.300 0.108 0.000 0.896 549 V CB 0.673 32.600 31.823 0.173 0.000 1.025 549 V HN 0.856 nan 8.190 nan 0.000 0.475 550 R N 2.176 122.649 120.500 -0.044 0.000 2.153 550 R HA 0.130 4.470 4.340 -0.000 0.000 0.218 550 R C 0.735 176.560 176.300 -0.792 0.000 1.072 550 R CA 0.659 56.612 56.100 -0.244 0.000 0.990 550 R CB 0.239 30.241 30.300 -0.496 0.000 0.889 550 R HN 0.608 nan 8.270 nan 0.000 0.452 551 S N 0.012 115.303 115.700 -0.682 0.000 2.597 551 S HA 0.098 4.568 4.470 -0.000 0.000 0.274 551 S C -2.296 172.092 174.600 -0.353 0.000 1.132 551 S CA -1.044 56.624 58.200 -0.888 0.000 0.835 551 S CB 1.412 64.184 63.200 -0.712 0.000 1.092 551 S HN 0.264 nan 8.310 nan 0.000 0.457 552 D N 2.413 122.701 120.400 -0.187 0.000 2.248 552 D HA 0.641 5.281 4.640 -0.000 0.000 0.246 552 D C -0.565 175.704 176.300 -0.051 0.000 1.027 552 D CA -0.461 53.460 54.000 -0.133 0.000 0.853 552 D CB 0.934 41.732 40.800 -0.004 0.000 1.243 552 D HN 0.371 nan 8.370 nan 0.000 0.462 553 I N 0.598 121.098 120.570 -0.116 0.000 2.769 553 I HA 0.266 4.435 4.170 -0.000 0.000 0.298 553 I C -0.300 175.857 176.117 0.066 0.000 1.128 553 I CA -0.541 60.776 61.300 0.028 0.000 1.031 553 I CB 2.046 40.070 38.000 0.039 0.000 1.235 553 I HN 0.379 nan 8.210 nan 0.000 0.423 554 T N 4.315 118.973 114.554 0.173 0.000 2.771 554 T HA 0.565 4.915 4.350 -0.000 0.000 0.281 554 T C -0.145 174.618 174.700 0.104 0.000 0.982 554 T CA -0.444 61.773 62.100 0.194 0.000 0.978 554 T CB 1.722 70.742 68.868 0.254 0.000 0.930 554 T HN 0.237 nan 8.240 nan 0.000 0.447 555 V N 2.847 122.819 119.914 0.096 0.000 2.370 555 V HA 0.731 4.851 4.120 -0.000 0.000 0.283 555 V C 0.124 176.279 176.094 0.101 0.000 1.023 555 V CA -0.903 61.450 62.300 0.088 0.000 0.857 555 V CB 1.230 33.110 31.823 0.095 0.000 0.985 555 V HN 1.062 nan 8.190 nan 0.000 0.443 556 A N 5.173 128.033 122.820 0.066 0.000 2.303 556 A HA 0.682 5.002 4.320 -0.000 0.000 0.320 556 A C -0.031 177.540 177.584 -0.022 0.000 1.192 556 A CA -0.734 51.311 52.037 0.013 0.000 0.821 556 A CB 0.641 19.605 19.000 -0.060 0.000 1.188 556 A HN 0.817 nan 8.150 nan 0.000 0.492 557 R N 3.528 123.976 120.500 -0.088 0.000 2.220 557 R HA 0.389 4.729 4.340 -0.000 0.000 0.340 557 R C -0.198 175.902 176.300 -0.334 0.000 1.076 557 R CA -0.292 55.563 56.100 -0.408 0.000 0.920 557 R CB 0.134 30.195 30.300 -0.398 0.000 1.062 557 R HN 0.853 nan 8.270 nan 0.000 0.469 558 L N 2.130 123.136 121.223 -0.361 0.000 2.354 558 L HA 0.111 4.450 4.340 -0.000 0.000 0.212 558 L C 0.626 177.365 176.870 -0.219 0.000 1.091 558 L CA 0.358 55.064 54.840 -0.224 0.000 0.828 558 L CB 0.066 42.021 42.059 -0.174 0.000 0.973 558 L HN 0.681 nan 8.230 nan 0.000 0.461 559 S N -2.952 112.568 115.700 -0.301 0.000 2.727 559 S HA 0.211 4.681 4.470 -0.000 0.000 0.278 559 S C 0.341 174.770 174.600 -0.285 0.000 1.186 559 S CA -0.682 57.381 58.200 -0.227 0.000 0.836 559 S CB 1.688 64.797 63.200 -0.151 0.000 1.186 559 S HN -0.131 nan 8.310 nan 0.000 0.499 560 E N 0.578 120.672 120.200 -0.177 0.000 2.097 560 E HA -0.077 4.273 4.350 -0.000 0.000 0.196 560 E C 0.296 176.815 176.600 -0.136 0.000 1.000 560 E CA 2.006 58.322 56.400 -0.141 0.000 0.804 560 E CB -0.127 29.527 29.700 -0.077 0.000 0.740 560 E HN 0.605 nan 8.360 nan 0.000 0.454 561 D N -1.369 118.954 120.400 -0.128 0.000 2.479 561 D HA 0.152 4.792 4.640 -0.000 0.000 0.218 561 D C -0.795 175.485 176.300 -0.035 0.000 1.177 561 D CA 0.141 54.107 54.000 -0.057 0.000 0.830 561 D CB 0.936 41.680 40.800 -0.094 0.000 1.014 561 D HN -0.080 nan 8.370 nan 0.000 0.503 562 T N 0.427 114.876 114.554 -0.176 0.000 2.879 562 T HA 0.482 4.832 4.350 -0.000 0.000 0.290 562 T C -0.759 173.750 174.700 -0.319 0.000 0.993 562 T CA -0.441 61.589 62.100 -0.116 0.000 0.975 562 T CB 1.130 69.935 68.868 -0.105 0.000 0.981 562 T HN -0.227 nan 8.240 nan 0.000 0.439 563 F N 1.848 121.743 119.950 -0.091 0.000 2.520 563 F HA 0.541 5.068 4.527 -0.000 0.000 0.322 563 F C 0.306 176.031 175.800 -0.125 0.000 1.103 563 F CA -1.002 56.936 58.000 -0.103 0.000 0.926 563 F CB 2.143 41.076 39.000 -0.112 0.000 1.154 563 F HN 0.375 nan 8.300 nan 0.000 0.453 564 Q N 2.899 122.711 119.800 0.020 0.000 2.293 564 Q HA 0.650 4.990 4.340 -0.000 0.000 0.261 564 Q C -1.911 174.057 176.000 -0.053 0.000 0.960 564 Q CA -0.836 54.929 55.803 -0.064 0.000 0.882 564 Q CB 1.395 30.035 28.738 -0.164 0.000 1.275 564 Q HN 0.611 nan 8.270 nan 0.000 0.445 565 L N 2.651 123.826 121.223 -0.081 0.000 2.329 565 L HA 0.609 4.948 4.340 -0.000 0.000 0.279 565 L C 0.170 177.033 176.870 -0.012 0.000 1.014 565 L CA -0.154 54.645 54.840 -0.069 0.000 0.814 565 L CB 2.012 43.956 42.059 -0.191 0.000 1.257 565 L HN 0.742 nan 8.230 nan 0.000 0.424 566 G N 1.740 110.578 108.800 0.062 0.000 2.329 566 G HA2 0.679 4.639 3.960 -0.000 0.000 0.309 566 G HA3 0.679 4.639 3.960 -0.000 0.000 0.309 566 G C -0.590 174.399 174.900 0.149 0.000 1.110 566 G CA 0.116 45.301 45.100 0.142 0.000 0.923 566 G HN 0.821 nan 8.290 nan 0.000 0.430 567 A N 2.683 125.583 122.820 0.133 0.000 2.414 567 A HA 0.676 4.996 4.320 -0.000 0.000 0.278 567 A C 0.912 178.571 177.584 0.125 0.000 1.228 567 A CA -0.841 51.271 52.037 0.125 0.000 0.857 567 A CB 1.063 20.141 19.000 0.130 0.000 1.389 567 A HN 0.489 nan 8.150 nan 0.000 0.452 568 N N -0.634 118.112 118.700 0.077 0.000 2.356 568 N HA 0.300 5.040 4.740 -0.000 0.000 0.178 568 N C 0.553 176.132 175.510 0.115 0.000 1.075 568 N CA 1.186 54.300 53.050 0.106 0.000 0.889 568 N CB 0.990 39.522 38.487 0.074 0.000 0.999 568 N HN 0.999 nan 8.380 nan 0.000 0.464 569 G N 0.253 109.105 108.800 0.087 0.000 2.345 569 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.285 569 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.285 569 G C -0.449 174.500 174.900 0.081 0.000 1.297 569 G CA -0.558 44.601 45.100 0.098 0.000 0.875 569 G HN -0.083 nan 8.290 nan 0.000 0.506 570 N N -0.511 118.236 118.700 0.078 0.000 2.515 570 N HA 0.123 4.863 4.740 -0.000 0.000 0.185 570 N C 2.223 177.769 175.510 0.059 0.000 1.109 570 N CA 0.364 53.461 53.050 0.078 0.000 0.903 570 N CB -0.127 38.410 38.487 0.083 0.000 0.969 570 N HN 0.483 nan 8.380 nan 0.000 0.450 571 I N 0.305 120.889 120.570 0.024 0.000 2.252 571 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 571 I C 1.413 177.519 176.117 -0.017 0.000 1.102 571 I CA 1.004 62.299 61.300 -0.008 0.000 1.385 571 I CB -0.112 37.857 38.000 -0.051 0.000 1.064 571 I HN 0.001 nan 8.210 nan 0.000 0.414 572 D N 0.655 121.035 120.400 -0.032 0.000 2.104 572 D HA -0.153 4.486 4.640 -0.000 0.000 0.194 572 D C 2.212 178.654 176.300 0.238 0.000 0.994 572 D CA 1.725 55.756 54.000 0.051 0.000 0.830 572 D CB -0.535 40.326 40.800 0.102 0.000 0.959 572 D HN 0.258 nan 8.370 nan 0.000 0.452 573 T N 0.816 115.490 114.554 0.200 0.000 2.635 573 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 573 T C 2.017 176.819 174.700 0.170 0.000 1.040 573 T CA 1.888 64.111 62.100 0.204 0.000 1.156 573 T CB -0.404 68.542 68.868 0.130 0.000 0.863 573 T HN 0.229 nan 8.240 nan 0.000 0.430 574 A N 0.239 123.128 122.820 0.115 0.000 1.930 574 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 574 A C 2.101 179.723 177.584 0.064 0.000 1.175 574 A CA 1.379 53.462 52.037 0.076 0.000 0.627 574 A CB -0.941 18.097 19.000 0.063 0.000 0.815 574 A HN 0.580 nan 8.150 nan 0.000 0.443 575 Y N -0.529 119.718 120.300 -0.088 0.000 2.145 575 Y HA -0.207 4.342 4.550 -0.000 0.000 0.286 575 Y C 1.906 177.674 175.900 -0.220 0.000 1.145 575 Y CA 1.815 59.793 58.100 -0.203 0.000 1.148 575 Y CB -0.540 37.715 38.460 -0.342 0.000 0.981 575 Y HN 0.300 nan 8.280 nan 0.000 0.507 576 F N 0.473 120.372 119.950 -0.086 0.000 2.186 576 F HA -0.147 4.379 4.527 -0.000 0.000 0.299 576 F C 2.345 178.049 175.800 -0.159 0.000 1.090 576 F CA 1.598 59.495 58.000 -0.172 0.000 1.307 576 F CB -0.312 38.652 39.000 -0.061 0.000 1.019 576 F HN 0.068 nan 8.300 nan 0.000 0.489 577 E N 0.053 120.301 120.200 0.080 0.000 2.058 577 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 577 E C 2.238 178.787 176.600 -0.086 0.000 0.997 577 E CA 1.337 57.745 56.400 0.014 0.000 0.801 577 E CB -0.224 29.488 29.700 0.019 0.000 0.746 577 E HN 0.299 nan 8.360 nan 0.000 0.450 578 R N 0.619 121.018 120.500 -0.167 0.000 2.075 578 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 578 R C 2.225 178.261 176.300 -0.440 0.000 1.126 578 R CA 1.257 57.157 56.100 -0.332 0.000 0.963 578 R CB -0.180 29.920 30.300 -0.334 0.000 0.858 578 R HN 0.139 nan 8.270 nan 0.000 0.435 579 A N 0.903 123.506 122.820 -0.360 0.000 1.902 579 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 579 A C 2.396 179.910 177.584 -0.116 0.000 1.181 579 A CA 1.593 53.461 52.037 -0.282 0.000 0.623 579 A CB -0.834 17.913 19.000 -0.423 0.000 0.818 579 A HN 0.548 nan 8.150 nan 0.000 0.443 580 A N -0.204 122.574 122.820 -0.070 0.000 1.908 580 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 580 A C 2.266 179.865 177.584 0.026 0.000 1.181 580 A CA 1.898 53.938 52.037 0.004 0.000 0.627 580 A CB -0.514 18.507 19.000 0.034 0.000 0.818 580 A HN 0.571 nan 8.150 nan 0.000 0.445 581 R N -1.198 119.292 120.500 -0.016 0.000 2.075 581 R HA -0.156 4.184 4.340 -0.000 0.000 0.232 581 R C 2.024 178.397 176.300 0.122 0.000 1.126 581 R CA 1.771 57.888 56.100 0.029 0.000 0.963 581 R CB -0.462 29.827 30.300 -0.018 0.000 0.858 581 R HN 0.799 nan 8.270 nan 0.000 0.435 582 H N -0.795 118.278 119.070 0.005 0.000 2.389 582 H HA -0.124 4.432 4.556 -0.000 0.000 0.299 582 H C 2.179 177.516 175.328 0.015 0.000 1.081 582 H CA 1.279 57.331 56.048 0.006 0.000 1.345 582 H CB 0.173 29.932 29.762 -0.006 0.000 1.393 582 H HN 0.377 nan 8.280 nan 0.000 0.520 583 Q N 0.572 120.455 119.800 0.139 0.000 2.079 583 Q HA -0.129 4.210 4.340 -0.000 0.000 0.200 583 Q C 1.885 177.941 176.000 0.094 0.000 0.974 583 Q CA 1.739 57.595 55.803 0.088 0.000 0.840 583 Q CB 0.181 28.951 28.738 0.053 0.000 0.898 583 Q HN 0.313 nan 8.270 nan 0.000 0.430 584 T N 0.896 115.518 114.554 0.114 0.000 2.708 584 T HA -0.191 4.158 4.350 -0.000 0.000 0.266 584 T C 1.695 176.462 174.700 0.112 0.000 1.037 584 T CA 1.601 63.786 62.100 0.141 0.000 1.146 584 T CB -0.180 68.783 68.868 0.159 0.000 0.865 584 T HN 0.392 nan 8.240 nan 0.000 0.435 585 Q N 0.656 120.515 119.800 0.099 0.000 2.170 585 Q HA -0.073 4.267 4.340 -0.000 0.000 0.203 585 Q C 2.391 178.423 176.000 0.052 0.000 0.976 585 Q CA 1.563 57.409 55.803 0.072 0.000 0.858 585 Q CB -0.026 28.759 28.738 0.079 0.000 0.907 585 Q HN 0.627 nan 8.270 nan 0.000 0.433 586 S N -1.607 114.124 115.700 0.053 0.000 2.539 586 S HA 0.235 4.705 4.470 -0.000 0.000 0.221 586 S C 0.697 175.320 174.600 0.039 0.000 0.987 586 S CA -0.160 58.059 58.200 0.031 0.000 0.929 586 S CB 0.861 64.069 63.200 0.014 0.000 0.832 586 S HN 0.247 nan 8.310 nan 0.000 0.492 587 G N 1.621 110.455 108.800 0.057 0.000 2.557 587 G HA2 0.555 4.514 3.960 -0.000 0.000 0.302 587 G HA3 0.555 4.514 3.960 -0.000 0.000 0.302 587 G C -0.009 174.932 174.900 0.067 0.000 1.311 587 G CA -0.164 44.971 45.100 0.058 0.000 1.030 587 G HN 0.492 nan 8.290 nan 0.000 0.509 588 S N -1.293 114.446 115.700 0.065 0.000 2.646 588 S HA 0.486 4.956 4.470 -0.000 0.000 0.273 588 S C 1.804 176.476 174.600 0.120 0.000 1.168 588 S CA 0.412 58.656 58.200 0.072 0.000 1.013 588 S CB 0.982 64.213 63.200 0.052 0.000 1.098 588 S HN 1.319 nan 8.310 nan 0.000 0.544 589 A N 0.249 123.144 122.820 0.125 0.000 2.172 589 A HA 0.073 4.393 4.320 -0.000 0.000 0.216 589 A C 1.978 179.700 177.584 0.229 0.000 1.154 589 A CA 1.530 53.688 52.037 0.202 0.000 0.701 589 A CB -1.439 17.647 19.000 0.144 0.000 0.789 589 A HN 1.085 nan 8.150 nan 0.000 0.465 590 T N -4.867 109.742 114.554 0.092 0.000 3.054 590 T HA 0.156 4.505 4.350 -0.000 0.000 0.255 590 T C 0.393 175.033 174.700 -0.100 0.000 1.035 590 T CA 0.471 62.558 62.100 -0.022 0.000 0.941 590 T CB 0.194 69.053 68.868 -0.015 0.000 1.026 590 T HN 0.198 nan 8.240 nan 0.000 0.533 591 D N 1.100 121.490 120.400 -0.016 0.000 2.398 591 D HA 0.137 4.777 4.640 -0.000 0.000 0.210 591 D C 0.627 176.937 176.300 0.016 0.000 1.094 591 D CA -0.408 53.582 54.000 -0.017 0.000 0.839 591 D CB 0.043 40.866 40.800 0.038 0.000 0.963 591 D HN 0.681 nan 8.370 nan 0.000 0.506 592 W N 1.525 122.835 121.300 0.017 0.000 2.170 592 W HA 0.461 5.121 4.660 -0.000 0.000 0.336 592 W C -0.561 175.968 176.519 0.016 0.000 1.283 592 W CA -0.669 56.685 57.345 0.016 0.000 1.224 592 W CB 0.485 29.953 29.460 0.014 0.000 1.132 592 W HN -0.309 nan 8.180 nan 0.000 0.571 593 V N 3.838 123.943 119.914 0.318 0.000 2.891 593 V HA 0.305 4.425 4.120 -0.000 0.000 0.304 593 V C -1.005 175.230 176.094 0.234 0.000 1.171 593 V CA -0.651 61.748 62.300 0.165 0.000 0.943 593 V CB 2.228 34.062 31.823 0.019 0.000 1.037 593 V HN 0.769 nan 8.190 nan 0.000 0.427 594 Q N 3.748 123.680 119.800 0.219 0.000 2.306 594 Q HA 0.722 5.062 4.340 -0.000 0.000 0.265 594 Q C -1.434 174.615 176.000 0.082 0.000 1.022 594 Q CA -0.769 55.129 55.803 0.159 0.000 0.853 594 Q CB 2.802 31.654 28.738 0.190 0.000 1.327 594 Q HN 0.639 nan 8.270 nan 0.000 0.449 595 V N 2.498 122.446 119.914 0.055 0.000 2.487 595 V HA 0.515 4.635 4.120 -0.000 0.000 0.298 595 V C -0.467 175.644 176.094 0.028 0.000 1.028 595 V CA -0.647 61.666 62.300 0.022 0.000 0.860 595 V CB 1.875 33.718 31.823 0.033 0.000 0.991 595 V HN 0.622 nan 8.190 nan 0.000 0.427 596 R N 2.087 122.596 120.500 0.016 0.000 2.628 596 R HA 0.407 4.747 4.340 -0.000 0.000 0.288 596 R C -1.368 174.946 176.300 0.024 0.000 0.980 596 R CA -0.880 55.235 56.100 0.025 0.000 0.891 596 R CB 2.329 32.646 30.300 0.028 0.000 1.188 596 R HN 0.693 nan 8.270 nan 0.000 0.450 597 D N 1.864 122.288 120.400 0.040 0.000 2.365 597 D HA 0.021 4.661 4.640 -0.000 0.000 0.237 597 D C 0.694 177.032 176.300 0.063 0.000 1.190 597 D CA 0.005 54.039 54.000 0.057 0.000 0.867 597 D CB 1.170 42.014 40.800 0.073 0.000 1.050 597 D HN 0.614 nan 8.370 nan 0.000 0.491 598 T N -0.355 114.236 114.554 0.062 0.000 3.086 598 T HA 0.003 4.353 4.350 -0.000 0.000 0.250 598 T C 1.538 176.303 174.700 0.108 0.000 1.074 598 T CA 0.023 62.164 62.100 0.068 0.000 0.988 598 T CB -0.070 68.825 68.868 0.046 0.000 0.988 598 T HN 0.216 nan 8.240 nan 0.000 0.530 599 T N 2.073 116.713 114.554 0.144 0.000 2.665 599 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 599 T C 2.250 177.128 174.700 0.298 0.000 1.035 599 T CA 1.746 63.974 62.100 0.213 0.000 1.151 599 T CB -1.006 68.033 68.868 0.286 0.000 0.862 599 T HN 0.606 nan 8.240 nan 0.000 0.438 600 G N 0.355 109.323 108.800 0.280 0.000 2.534 600 G HA2 0.122 4.082 3.960 -0.000 0.000 0.217 600 G HA3 0.122 4.082 3.960 -0.000 0.000 0.217 600 G C 1.431 176.416 174.900 0.143 0.000 1.128 600 G CA 0.693 45.936 45.100 0.239 0.000 0.784 600 G HN 0.603 nan 8.290 nan 0.000 0.542 601 G N -0.455 108.412 108.800 0.111 0.000 3.088 601 G HA2 0.372 4.332 3.960 -0.000 0.000 0.217 601 G HA3 0.372 4.332 3.960 -0.000 0.000 0.217 601 G C 0.680 175.626 174.900 0.077 0.000 1.159 601 G CA 0.972 46.115 45.100 0.071 0.000 0.760 601 G HN 0.618 nan 8.290 nan 0.000 0.550 602 T N -2.535 112.082 114.554 0.105 0.000 2.742 602 T HA 0.617 4.966 4.350 -0.000 0.000 0.282 602 T C -0.429 174.324 174.700 0.089 0.000 1.025 602 T CA -0.391 61.772 62.100 0.105 0.000 1.020 602 T CB 1.897 70.846 68.868 0.134 0.000 1.317 602 T HN 0.673 nan 8.240 nan 0.000 0.538 603 C N -0.959 118.405 119.300 0.107 0.000 3.318 603 C HA 0.925 5.384 4.460 -0.000 0.000 0.322 603 C C -0.766 174.313 174.990 0.148 0.000 1.398 603 C CA -1.041 58.011 59.018 0.057 0.000 1.339 603 C CB 0.922 28.588 27.740 -0.123 0.000 1.668 603 C HN 1.388 nan 8.230 nan 0.000 0.462 604 C N 1.823 121.210 119.300 0.146 0.000 2.811 604 C HA 0.746 5.206 4.460 -0.000 0.000 0.352 604 C C -1.097 173.939 174.990 0.077 0.000 1.098 604 C CA -0.243 58.733 59.018 -0.069 0.000 1.295 604 C CB 0.061 27.596 27.740 -0.342 0.000 1.758 604 C HN 0.918 nan 8.230 nan 0.000 0.488 605 I N 4.781 125.318 120.570 -0.055 0.000 2.354 605 I HA 0.462 4.632 4.170 -0.000 0.000 0.292 605 I C 0.962 176.877 176.117 -0.337 0.000 0.989 605 I CA -0.024 61.200 61.300 -0.127 0.000 1.188 605 I CB 1.694 39.573 38.000 -0.202 0.000 1.342 605 I HN 0.878 nan 8.210 nan 0.000 0.457 606 G N 6.851 115.365 108.800 -0.478 0.000 2.391 606 G HA2 0.448 4.408 3.960 -0.000 0.000 0.305 606 G HA3 0.448 4.408 3.960 -0.000 0.000 0.305 606 G C -0.875 173.351 174.900 -1.124 0.000 1.072 606 G CA -0.304 44.008 45.100 -1.313 0.000 1.016 606 G HN 0.428 nan 8.290 nan 0.000 0.418 607 L N 4.484 125.135 121.223 -0.954 0.000 2.272 607 L HA 0.654 4.993 4.340 -0.000 0.000 0.284 607 L C -1.260 175.359 176.870 -0.418 0.000 1.045 607 L CA -1.156 53.410 54.840 -0.457 0.000 0.842 607 L CB -0.048 41.900 42.059 -0.185 0.000 1.224 607 L HN 0.439 nan 8.230 nan 0.000 0.430 608 W N 4.756 126.068 121.300 0.021 0.000 2.915 608 W HA 0.791 5.451 4.660 -0.000 0.000 0.337 608 W C 0.207 176.697 176.519 -0.048 0.000 1.102 608 W CA -0.746 56.573 57.345 -0.044 0.000 1.224 608 W CB 2.019 31.487 29.460 0.013 0.000 1.416 608 W HN 0.784 nan 8.180 nan 0.000 0.503 609 G N 2.663 111.543 108.800 0.133 0.000 2.333 609 G HA2 0.027 3.987 3.960 -0.000 0.000 0.330 609 G HA3 0.027 3.987 3.960 -0.000 0.000 0.330 609 G C -2.370 172.510 174.900 -0.033 0.000 1.465 609 G CA -0.835 44.287 45.100 0.037 0.000 0.996 609 G HN 0.076 nan 8.290 nan 0.000 0.655 610 P HA -0.004 nan 4.420 nan 0.000 0.222 610 P C 1.467 178.717 177.300 -0.083 0.000 1.147 610 P CA 0.839 63.913 63.100 -0.043 0.000 0.790 610 P CB 0.183 31.877 31.700 -0.010 0.000 0.780 611 L N -1.400 119.751 121.223 -0.120 0.000 2.629 611 L HA 0.264 4.603 4.340 -0.000 0.000 0.230 611 L C 2.341 179.041 176.870 -0.285 0.000 1.151 611 L CA 0.006 54.713 54.840 -0.221 0.000 0.924 611 L CB -0.624 41.300 42.059 -0.225 0.000 1.137 611 L HN -0.111 nan 8.230 nan 0.000 0.457 612 A N 0.659 123.377 122.820 -0.170 0.000 1.933 612 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 612 A C 2.450 180.046 177.584 0.021 0.000 1.175 612 A CA 1.266 53.241 52.037 -0.103 0.000 0.628 612 A CB -0.243 18.666 19.000 -0.151 0.000 0.814 612 A HN 0.355 nan 8.150 nan 0.000 0.444 613 R N -0.421 120.112 120.500 0.054 0.000 2.075 613 R HA -0.096 4.243 4.340 -0.000 0.000 0.232 613 R C 1.548 177.768 176.300 -0.134 0.000 1.126 613 R CA 1.342 57.514 56.100 0.119 0.000 0.963 613 R CB -0.351 30.041 30.300 0.153 0.000 0.858 613 R HN 0.473 nan 8.270 nan 0.000 0.435 614 D N 1.006 121.226 120.400 -0.299 0.000 2.123 614 D HA -0.191 4.449 4.640 -0.000 0.000 0.196 614 D C 1.876 177.779 176.300 -0.662 0.000 0.992 614 D CA 0.929 54.616 54.000 -0.523 0.000 0.833 614 D CB -0.164 40.099 40.800 -0.895 0.000 0.954 614 D HN 0.166 nan 8.370 nan 0.000 0.455 615 L N 0.294 121.091 121.223 -0.710 0.000 1.988 615 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 615 L C 2.395 179.114 176.870 -0.252 0.000 1.071 615 L CA 0.994 55.581 54.840 -0.422 0.000 0.744 615 L CB -0.245 41.623 42.059 -0.319 0.000 0.893 615 L HN -0.122 nan 8.230 nan 0.000 0.433 616 V N -0.240 119.490 119.914 -0.307 0.000 2.594 616 V HA -0.243 3.877 4.120 -0.000 0.000 0.253 616 V C 2.758 178.643 176.094 -0.349 0.000 1.069 616 V CA 1.874 63.911 62.300 -0.438 0.000 1.082 616 V CB -0.140 31.151 31.823 -0.888 0.000 0.680 616 V HN 0.825 nan 8.190 nan 0.000 0.469 617 S N -0.495 115.060 115.700 -0.243 0.000 2.440 617 S HA -0.186 4.284 4.470 -0.000 0.000 0.238 617 S C 1.808 176.373 174.600 -0.058 0.000 1.010 617 S CA 1.028 59.162 58.200 -0.109 0.000 0.972 617 S CB -0.384 62.780 63.200 -0.060 0.000 0.774 617 S HN 0.584 nan 8.310 nan 0.000 0.501 618 K N 1.287 121.654 120.400 -0.056 0.000 2.366 618 K HA 0.160 4.480 4.320 -0.000 0.000 0.198 618 K C 1.577 178.159 176.600 -0.031 0.000 1.044 618 K CA 1.027 57.306 56.287 -0.014 0.000 0.973 618 K CB -0.126 32.393 32.500 0.033 0.000 0.767 618 K HN 0.646 nan 8.250 nan 0.000 0.475 619 V N -2.864 117.011 119.914 -0.065 0.000 3.252 619 V HA 0.346 4.466 4.120 -0.000 0.000 0.320 619 V C 0.046 176.114 176.094 -0.043 0.000 1.459 619 V CA -0.620 61.647 62.300 -0.054 0.000 1.095 619 V CB 0.488 32.269 31.823 -0.070 0.000 0.997 619 V HN 0.046 nan 8.190 nan 0.000 0.469 620 S N -0.036 115.646 115.700 -0.030 0.000 2.533 620 S HA 0.518 4.988 4.470 -0.000 0.000 0.271 620 S C -0.676 173.953 174.600 0.048 0.000 1.143 620 S CA -0.302 57.916 58.200 0.029 0.000 0.891 620 S CB 2.185 65.448 63.200 0.106 0.000 1.105 620 S HN 0.275 nan 8.310 nan 0.000 0.468 621 D N 1.709 122.135 120.400 0.043 0.000 2.349 621 D HA 0.165 4.805 4.640 -0.000 0.000 0.214 621 D C -0.190 176.124 176.300 0.023 0.000 1.063 621 D CA 0.197 54.215 54.000 0.030 0.000 0.847 621 D CB 0.164 40.970 40.800 0.010 0.000 0.933 621 D HN 0.582 nan 8.370 nan 0.000 0.513 622 D N 1.079 121.497 120.400 0.031 0.000 2.357 622 D HA -0.009 4.630 4.640 -0.000 0.000 0.242 622 D C 0.051 176.292 176.300 -0.099 0.000 1.153 622 D CA 0.190 54.133 54.000 -0.094 0.000 0.918 622 D CB 1.244 41.895 40.800 -0.247 0.000 1.181 622 D HN -0.096 nan 8.370 nan 0.000 0.435 623 D N 0.672 120.945 120.400 -0.213 0.000 2.339 623 D HA 0.068 4.708 4.640 -0.000 0.000 0.241 623 D C -0.303 175.827 176.300 -0.284 0.000 1.183 623 D CA -0.327 53.594 54.000 -0.131 0.000 0.859 623 D CB 0.078 40.819 40.800 -0.099 0.000 1.067 623 D HN 0.191 nan 8.370 nan 0.000 0.484 624 F N 1.245 121.136 119.950 -0.098 0.000 2.664 624 F HA 0.070 4.597 4.527 -0.000 0.000 0.303 624 F C 1.595 177.464 175.800 0.115 0.000 1.092 624 F CA -0.343 57.600 58.000 -0.094 0.000 1.305 624 F CB 0.098 38.906 39.000 -0.320 0.000 1.054 624 F HN 0.209 nan 8.300 nan 0.000 0.565 625 T N -2.809 111.868 114.554 0.205 0.000 2.701 625 T HA -0.034 4.315 4.350 -0.000 0.000 0.303 625 T C 1.335 176.138 174.700 0.172 0.000 1.030 625 T CA -0.170 62.038 62.100 0.180 0.000 1.010 625 T CB 0.583 69.513 68.868 0.104 0.000 1.007 625 T HN 0.150 nan 8.240 nan 0.000 0.532 626 N N 0.589 119.377 118.700 0.147 0.000 2.137 626 N HA -0.154 4.586 4.740 -0.000 0.000 0.190 626 N C 1.384 176.952 175.510 0.097 0.000 1.017 626 N CA 1.852 54.980 53.050 0.131 0.000 0.859 626 N CB -0.395 38.151 38.487 0.098 0.000 1.002 626 N HN 0.625 nan 8.380 nan 0.000 0.428 627 D N -1.288 119.153 120.400 0.068 0.000 2.224 627 D HA -0.035 4.605 4.640 -0.000 0.000 0.205 627 D C 1.720 178.035 176.300 0.025 0.000 0.965 627 D CA 1.075 55.102 54.000 0.043 0.000 0.852 627 D CB -0.421 40.397 40.800 0.030 0.000 0.947 627 D HN 0.475 nan 8.370 nan 0.000 0.494 628 G N -0.016 108.796 108.800 0.020 0.000 2.453 628 G HA2 0.086 4.046 3.960 -0.000 0.000 0.215 628 G HA3 0.086 4.046 3.960 -0.000 0.000 0.215 628 G C 0.460 175.328 174.900 -0.054 0.000 1.147 628 G CA 0.172 45.248 45.100 -0.041 0.000 0.802 628 G HN 0.206 nan 8.290 nan 0.000 0.535 629 L N 0.407 121.646 121.223 0.027 0.000 2.676 629 L HA 0.448 4.788 4.340 -0.000 0.000 0.262 629 L C -0.664 176.313 176.870 0.177 0.000 0.965 629 L CA -0.764 54.116 54.840 0.067 0.000 0.920 629 L CB 1.338 43.409 42.059 0.019 0.000 1.260 629 L HN -0.066 nan 8.230 nan 0.000 0.422 630 K N 2.664 123.154 120.400 0.151 0.000 2.102 630 K HA 0.283 4.603 4.320 -0.000 0.000 0.244 630 K C -0.853 175.907 176.600 0.266 0.000 1.021 630 K CA -0.746 55.659 56.287 0.197 0.000 0.913 630 K CB 0.698 33.289 32.500 0.152 0.000 1.062 630 K HN 0.467 nan 8.250 nan 0.000 0.485 631 Y N 0.986 121.382 120.300 0.159 0.000 2.712 631 Y HA -0.114 4.436 4.550 -0.000 0.000 0.333 631 Y C -0.013 176.081 175.900 0.323 0.000 1.225 631 Y CA 0.489 58.719 58.100 0.217 0.000 1.499 631 Y CB -0.136 38.429 38.460 0.175 0.000 1.288 631 Y HN 0.578 nan 8.280 nan 0.000 0.575 632 F N 3.275 122.962 119.950 -0.438 0.000 3.080 632 F HA -0.275 4.251 4.527 -0.000 0.000 0.292 632 F C 0.007 175.761 175.800 -0.077 0.000 0.891 632 F CA 0.619 58.434 58.000 -0.307 0.000 1.086 632 F CB -0.969 37.830 39.000 -0.336 0.000 1.095 632 F HN 0.470 nan 8.300 nan 0.000 0.633 633 R N 0.021 120.534 120.500 0.022 0.000 2.854 633 R HA 0.943 5.283 4.340 -0.000 0.000 0.271 633 R C -0.215 176.097 176.300 0.020 0.000 0.994 633 R CA -0.354 55.768 56.100 0.037 0.000 0.945 633 R CB 1.917 32.256 30.300 0.065 0.000 1.194 633 R HN 0.069 nan 8.270 nan 0.000 0.476 634 A N 1.219 124.041 122.820 0.004 0.000 2.401 634 A HA 0.751 5.071 4.320 -0.000 0.000 0.310 634 A C -0.948 176.618 177.584 -0.029 0.000 1.075 634 A CA -0.686 51.352 52.037 0.001 0.000 0.746 634 A CB 1.638 20.628 19.000 -0.017 0.000 1.277 634 A HN 0.746 nan 8.150 nan 0.000 0.425 635 K N 0.880 121.254 120.400 -0.044 0.000 2.575 635 K HA 0.451 4.771 4.320 -0.000 0.000 0.279 635 K C -1.531 175.021 176.600 -0.081 0.000 0.969 635 K CA -0.999 55.241 56.287 -0.079 0.000 0.868 635 K CB 0.951 33.380 32.500 -0.118 0.000 1.457 635 K HN 0.415 nan 8.250 nan 0.000 0.426 636 N N 0.805 119.459 118.700 -0.077 0.000 2.514 636 N HA 0.389 5.128 4.740 -0.000 0.000 0.277 636 N C -0.460 174.994 175.510 -0.093 0.000 1.126 636 N CA -0.348 52.666 53.050 -0.060 0.000 0.978 636 N CB 1.458 39.919 38.487 -0.043 0.000 1.106 636 N HN 0.562 nan 8.380 nan 0.000 0.461 637 V N -1.509 118.364 119.914 -0.067 0.000 3.182 637 V HA 0.709 4.828 4.120 -0.000 0.000 0.308 637 V C -0.652 175.436 176.094 -0.010 0.000 1.240 637 V CA -0.896 61.358 62.300 -0.077 0.000 1.063 637 V CB 1.857 33.612 31.823 -0.113 0.000 1.076 637 V HN 0.187 nan 8.190 nan 0.000 0.446 638 V N 1.814 121.732 119.914 0.007 0.000 2.487 638 V HA 0.627 4.747 4.120 -0.000 0.000 0.298 638 V C -0.527 175.589 176.094 0.037 0.000 1.028 638 V CA -0.257 62.056 62.300 0.022 0.000 0.860 638 V CB 1.417 33.246 31.823 0.010 0.000 0.991 638 V HN 0.766 nan 8.190 nan 0.000 0.427 639 I N 3.230 123.816 120.570 0.027 0.000 2.478 639 I HA 0.576 4.746 4.170 -0.000 0.000 0.287 639 I C 1.011 177.127 176.117 -0.001 0.000 1.042 639 I CA -0.461 60.839 61.300 0.000 0.000 1.067 639 I CB 1.892 39.875 38.000 -0.028 0.000 1.233 639 I HN 0.841 nan 8.210 nan 0.000 0.431 640 G N 4.128 112.923 108.800 -0.008 0.000 2.258 640 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.274 640 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.274 640 G C 1.010 175.920 174.900 0.016 0.000 1.021 640 G CA 0.675 45.776 45.100 0.003 0.000 0.798 640 G HN 1.592 nan 8.290 nan 0.000 0.507 641 G N -1.962 106.847 108.800 0.015 0.000 2.176 641 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.253 641 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.253 641 G C 0.243 175.158 174.900 0.025 0.000 0.979 641 G CA 0.462 45.574 45.100 0.019 0.000 0.641 641 G HN 1.152 nan 8.290 nan 0.000 0.530 642 I N 1.547 122.135 120.570 0.031 0.000 2.336 642 I HA 0.357 4.527 4.170 -0.000 0.000 0.292 642 I C -2.191 173.949 176.117 0.038 0.000 0.991 642 I CA -3.242 58.082 61.300 0.040 0.000 1.227 642 I CB 1.246 39.279 38.000 0.056 0.000 1.366 642 I HN -0.187 nan 8.210 nan 0.000 0.466 643 P HA 0.166 nan 4.420 nan 0.000 0.267 643 P C -0.630 176.700 177.300 0.050 0.000 1.209 643 P CA 0.147 63.267 63.100 0.033 0.000 0.763 643 P CB 0.699 32.415 31.700 0.027 0.000 0.816 644 V N 3.703 123.647 119.914 0.050 0.000 2.876 644 V HA 0.369 4.489 4.120 -0.000 0.000 0.312 644 V C -0.012 176.127 176.094 0.075 0.000 1.085 644 V CA -0.457 61.890 62.300 0.078 0.000 0.945 644 V CB 2.667 34.535 31.823 0.075 0.000 1.017 644 V HN 0.334 nan 8.190 nan 0.000 0.428 645 T N 3.792 118.422 114.554 0.126 0.000 2.753 645 T HA 0.622 4.972 4.350 -0.000 0.000 0.297 645 T C 0.039 174.861 174.700 0.202 0.000 0.981 645 T CA -0.103 62.069 62.100 0.120 0.000 0.956 645 T CB 1.052 69.981 68.868 0.102 0.000 0.936 645 T HN 0.913 nan 8.240 nan 0.000 0.463 646 A N 5.207 128.101 122.820 0.122 0.000 2.290 646 A HA 0.786 5.106 4.320 -0.000 0.000 0.310 646 A C -0.052 177.648 177.584 0.194 0.000 1.202 646 A CA -0.712 51.422 52.037 0.162 0.000 0.837 646 A CB 0.373 19.404 19.000 0.051 0.000 1.139 646 A HN 0.824 nan 8.150 nan 0.000 0.509 647 M N 2.473 122.248 119.600 0.292 0.000 2.253 647 M HA 0.385 4.865 4.480 -0.000 0.000 0.314 647 M C 0.001 176.469 176.300 0.281 0.000 1.019 647 M CA -0.327 55.102 55.300 0.216 0.000 0.932 647 M CB 2.163 34.872 32.600 0.182 0.000 1.606 647 M HN 0.787 nan 8.290 nan 0.000 0.430 648 R N 5.644 126.276 120.500 0.221 0.000 2.296 648 R HA 0.656 4.996 4.340 -0.000 0.000 0.327 648 R C -1.432 174.787 176.300 -0.135 0.000 1.137 648 R CA -0.059 56.168 56.100 0.211 0.000 1.020 648 R CB 0.115 30.616 30.300 0.335 0.000 1.110 648 R HN 0.811 nan 8.270 nan 0.000 0.499 649 L N -0.714 120.456 121.223 -0.088 0.000 2.869 649 L HA 0.612 4.952 4.340 -0.000 0.000 0.265 649 L C -1.555 175.302 176.870 -0.022 0.000 1.011 649 L CA -1.029 53.682 54.840 -0.215 0.000 0.913 649 L CB 2.091 43.712 42.059 -0.731 0.000 1.490 649 L HN 0.346 nan 8.230 nan 0.000 0.410 650 S N -0.753 114.804 115.700 -0.239 0.000 2.689 650 S HA 0.493 4.962 4.470 -0.000 0.000 0.274 650 S C -0.134 173.981 174.600 -0.808 0.000 1.176 650 S CA -0.474 57.257 58.200 -0.782 0.000 1.014 650 S CB 0.841 63.518 63.200 -0.871 0.000 1.071 650 S HN 0.704 nan 8.310 nan 0.000 0.478 651 Y N 2.961 122.755 120.300 -0.843 0.000 2.333 651 Y HA -0.104 4.446 4.550 -0.000 0.000 0.290 651 Y C 2.325 177.753 175.900 -0.788 0.000 1.144 651 Y CA 1.574 59.269 58.100 -0.676 0.000 1.228 651 Y CB 0.095 38.173 38.460 -0.637 0.000 0.985 651 Y HN 0.684 nan 8.280 nan 0.000 0.542 652 V N -3.596 115.806 119.914 -0.854 0.000 3.608 652 V HA 0.461 4.580 4.120 -0.000 0.000 0.269 652 V C 1.422 177.305 176.094 -0.353 0.000 1.245 652 V CA 0.588 62.525 62.300 -0.605 0.000 1.138 652 V CB -0.254 31.230 31.823 -0.564 0.000 0.841 652 V HN 0.406 nan 8.190 nan 0.000 0.451 653 G N -0.021 108.568 108.800 -0.351 0.000 2.149 653 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.235 653 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.235 653 G C -0.198 174.674 174.900 -0.048 0.000 1.018 653 G CA 0.331 45.358 45.100 -0.122 0.000 0.728 653 G HN 0.616 nan 8.290 nan 0.000 0.508 654 E N -1.116 118.987 120.200 -0.162 0.000 2.339 654 E HA 0.608 4.958 4.350 -0.000 0.000 0.262 654 E C 0.327 176.874 176.600 -0.087 0.000 0.934 654 E CA -1.307 55.058 56.400 -0.059 0.000 0.802 654 E CB 1.623 31.328 29.700 0.008 0.000 1.275 654 E HN 0.363 nan 8.360 nan 0.000 0.427 655 L N 0.863 122.039 121.223 -0.079 0.000 2.543 655 L HA 0.288 4.627 4.340 -0.000 0.000 0.285 655 L C 0.524 177.244 176.870 -0.250 0.000 1.236 655 L CA 1.892 56.628 54.840 -0.173 0.000 0.871 655 L CB -0.275 41.685 42.059 -0.164 0.000 1.121 655 L HN 0.719 nan 8.230 nan 0.000 0.501 656 G N 2.494 110.890 108.800 -0.674 0.000 2.293 656 G HA2 0.059 4.019 3.960 -0.000 0.000 0.282 656 G HA3 0.059 4.019 3.960 -0.000 0.000 0.282 656 G C -1.819 172.479 174.900 -1.004 0.000 1.299 656 G CA -0.345 44.037 45.100 -1.197 0.000 1.018 656 G HN 0.774 nan 8.290 nan 0.000 0.478 657 W N -0.011 121.371 121.300 0.137 0.000 3.167 657 W HA 0.523 5.183 4.660 -0.000 0.000 0.324 657 W C -0.505 175.948 176.519 -0.109 0.000 1.230 657 W CA -0.780 56.632 57.345 0.112 0.000 1.184 657 W CB 1.640 31.165 29.460 0.108 0.000 1.414 657 W HN 0.665 nan 8.180 nan 0.000 0.551 658 E N 1.881 122.205 120.200 0.206 0.000 2.229 658 E HA 0.408 4.758 4.350 -0.000 0.000 0.283 658 E C -0.684 175.880 176.600 -0.060 0.000 1.030 658 E CA -0.365 56.005 56.400 -0.051 0.000 0.836 658 E CB 1.236 30.972 29.700 0.061 0.000 1.068 658 E HN 0.151 nan 8.360 nan 0.000 0.401 659 L N 4.312 125.391 121.223 -0.239 0.000 2.316 659 L HA 0.398 4.738 4.340 -0.000 0.000 0.280 659 L C -1.054 175.703 176.870 -0.187 0.000 1.006 659 L CA -0.813 53.972 54.840 -0.093 0.000 0.836 659 L CB 0.383 42.411 42.059 -0.051 0.000 1.221 659 L HN 0.503 nan 8.230 nan 0.000 0.418 660 Y N 1.497 121.848 120.300 0.084 0.000 2.360 660 Y HA 0.672 5.222 4.550 -0.000 0.000 0.337 660 Y C 0.554 176.503 175.900 0.082 0.000 1.039 660 Y CA -0.390 57.763 58.100 0.088 0.000 1.109 660 Y CB 2.311 40.812 38.460 0.068 0.000 1.201 660 Y HN 0.461 nan 8.280 nan 0.000 0.458 661 T N 0.579 115.273 114.554 0.233 0.000 2.762 661 T HA 0.338 4.688 4.350 -0.000 0.000 0.301 661 T C -0.870 173.913 174.700 0.138 0.000 1.299 661 T CA -0.711 61.488 62.100 0.165 0.000 1.005 661 T CB 1.315 70.267 68.868 0.139 0.000 1.377 661 T HN 0.569 nan 8.240 nan 0.000 0.504 662 S N 0.629 116.388 115.700 0.099 0.000 2.579 662 S HA 0.461 4.930 4.470 -0.000 0.000 0.275 662 S C 1.719 176.357 174.600 0.063 0.000 1.345 662 S CA 0.286 58.531 58.200 0.074 0.000 1.031 662 S CB 0.395 63.628 63.200 0.056 0.000 0.892 662 S HN 0.910 nan 8.310 nan 0.000 0.529 663 A N 3.270 126.115 122.820 0.041 0.000 1.940 663 A HA -0.158 4.161 4.320 -0.000 0.000 0.219 663 A C 1.773 179.362 177.584 0.008 0.000 1.176 663 A CA 2.034 54.075 52.037 0.007 0.000 0.631 663 A CB -0.858 18.143 19.000 0.001 0.000 0.814 663 A HN 0.981 nan 8.150 nan 0.000 0.446 664 D N -0.321 120.092 120.400 0.021 0.000 2.310 664 D HA -0.126 4.513 4.640 -0.000 0.000 0.212 664 D C 0.843 177.168 176.300 0.042 0.000 0.965 664 D CA 1.124 55.137 54.000 0.023 0.000 0.879 664 D CB -0.599 40.213 40.800 0.020 0.000 0.921 664 D HN 0.389 nan 8.370 nan 0.000 0.510 665 N N 0.169 118.906 118.700 0.061 0.000 2.299 665 N HA 0.088 4.828 4.740 -0.000 0.000 0.187 665 N C 1.863 177.454 175.510 0.135 0.000 1.099 665 N CA 0.686 53.787 53.050 0.084 0.000 0.867 665 N CB 0.331 38.868 38.487 0.083 0.000 0.974 665 N HN 0.370 nan 8.380 nan 0.000 0.477 666 G N 1.074 109.963 108.800 0.148 0.000 2.418 666 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.217 666 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.217 666 G C 1.338 176.504 174.900 0.444 0.000 1.158 666 G CA 0.511 45.796 45.100 0.308 0.000 0.771 666 G HN 0.336 nan 8.290 nan 0.000 0.545 667 Q N -0.142 119.813 119.800 0.259 0.000 2.124 667 Q HA -0.136 4.203 4.340 -0.000 0.000 0.202 667 Q C 2.593 178.738 176.000 0.241 0.000 0.977 667 Q CA 1.446 57.402 55.803 0.255 0.000 0.850 667 Q CB -0.078 28.727 28.738 0.113 0.000 0.901 667 Q HN 0.341 nan 8.270 nan 0.000 0.429 668 R N 0.430 121.033 120.500 0.173 0.000 2.081 668 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 668 R C 2.117 178.499 176.300 0.137 0.000 1.131 668 R CA 1.387 57.567 56.100 0.133 0.000 0.960 668 R CB -0.888 29.468 30.300 0.092 0.000 0.856 668 R HN 0.393 nan 8.270 nan 0.000 0.436 669 L N 0.047 121.365 121.223 0.160 0.000 2.012 669 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 669 L C 2.098 179.008 176.870 0.067 0.000 1.073 669 L CA 2.077 56.982 54.840 0.109 0.000 0.748 669 L CB -0.957 41.185 42.059 0.138 0.000 0.891 669 L HN 0.406 nan 8.230 nan 0.000 0.431 670 W N 0.880 122.151 121.300 -0.050 0.000 2.301 670 W HA -0.301 4.358 4.660 -0.000 0.000 0.325 670 W C 2.048 178.542 176.519 -0.041 0.000 1.250 670 W CA 2.317 59.557 57.345 -0.175 0.000 1.261 670 W CB -0.457 28.839 29.460 -0.274 0.000 1.157 670 W HN 0.316 nan 8.180 nan 0.000 0.473 671 D N 0.059 120.606 120.400 0.245 0.000 2.144 671 D HA -0.108 4.532 4.640 -0.000 0.000 0.200 671 D C 2.328 178.685 176.300 0.096 0.000 0.978 671 D CA 1.901 56.021 54.000 0.200 0.000 0.833 671 D CB -0.790 40.119 40.800 0.182 0.000 0.961 671 D HN 0.175 nan 8.370 nan 0.000 0.470 672 A N 0.675 123.521 122.820 0.042 0.000 1.877 672 A HA -0.120 4.199 4.320 -0.000 0.000 0.216 672 A C 2.379 179.930 177.584 -0.054 0.000 1.186 672 A CA 0.943 52.980 52.037 0.001 0.000 0.620 672 A CB -0.788 18.209 19.000 -0.005 0.000 0.822 672 A HN 0.204 nan 8.150 nan 0.000 0.443 673 L N -1.957 119.192 121.223 -0.123 0.000 2.093 673 L HA -0.180 4.159 4.340 -0.000 0.000 0.208 673 L C 2.619 179.364 176.870 -0.209 0.000 1.085 673 L CA 1.154 55.872 54.840 -0.203 0.000 0.755 673 L CB -0.477 41.396 42.059 -0.311 0.000 0.904 673 L HN 0.744 nan 8.230 nan 0.000 0.435 674 W N 1.277 122.321 121.300 -0.428 0.000 2.354 674 W HA -0.277 4.382 4.660 -0.000 0.000 0.315 674 W C 2.513 178.915 176.519 -0.195 0.000 1.206 674 W CA 2.094 59.212 57.345 -0.378 0.000 1.290 674 W CB -0.160 29.087 29.460 -0.356 0.000 1.152 674 W HN 0.300 nan 8.180 nan 0.000 0.489 675 Q N 0.432 120.238 119.800 0.011 0.000 2.084 675 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 675 Q C 2.324 178.252 176.000 -0.121 0.000 0.978 675 Q CA 2.339 58.115 55.803 -0.045 0.000 0.844 675 Q CB -0.519 28.235 28.738 0.026 0.000 0.898 675 Q HN 0.162 nan 8.270 nan 0.000 0.426 676 A N 0.129 122.890 122.820 -0.097 0.000 1.972 676 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 676 A C 2.122 179.689 177.584 -0.027 0.000 1.169 676 A CA 1.455 53.458 52.037 -0.056 0.000 0.635 676 A CB -0.883 18.086 19.000 -0.052 0.000 0.810 676 A HN 0.586 nan 8.150 nan 0.000 0.446 677 G N -1.615 107.091 108.800 -0.156 0.000 2.712 677 G HA2 0.021 3.981 3.960 -0.000 0.000 0.212 677 G HA3 0.021 3.981 3.960 -0.000 0.000 0.212 677 G C 1.339 176.079 174.900 -0.268 0.000 1.142 677 G CA 0.411 45.425 45.100 -0.144 0.000 0.789 677 G HN 0.399 nan 8.290 nan 0.000 0.535 678 Q N 0.820 120.402 119.800 -0.364 0.000 2.077 678 Q HA -0.111 4.229 4.340 -0.000 0.000 0.206 678 Q C 0.032 175.817 176.000 -0.358 0.000 0.989 678 Q CA 1.560 57.135 55.803 -0.381 0.000 0.853 678 Q CB -1.515 27.039 28.738 -0.306 0.000 0.907 678 Q HN 0.400 nan 8.270 nan 0.000 0.418 679 P HA -0.052 nan 4.420 nan 0.000 0.230 679 P C 0.436 177.295 177.300 -0.734 0.000 1.158 679 P CA 0.906 63.638 63.100 -0.612 0.000 0.769 679 P CB -0.231 30.977 31.700 -0.820 0.000 0.807 680 F N -1.545 118.288 119.950 -0.196 0.000 2.695 680 F HA 0.409 4.935 4.527 -0.000 0.000 0.303 680 F C 1.555 177.213 175.800 -0.236 0.000 1.091 680 F CA 0.116 58.001 58.000 -0.191 0.000 1.300 680 F CB -0.331 38.559 39.000 -0.184 0.000 1.071 680 F HN -0.086 nan 8.300 nan 0.000 0.578 681 G N 1.632 110.322 108.800 -0.183 0.000 2.225 681 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.264 681 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.264 681 G C 0.121 174.844 174.900 -0.294 0.000 1.060 681 G CA 0.168 45.125 45.100 -0.238 0.000 0.833 681 G HN 0.272 nan 8.290 nan 0.000 0.498 682 V N 0.709 120.408 119.914 -0.358 0.000 2.788 682 V HA 0.519 4.639 4.120 -0.000 0.000 0.307 682 V C 0.989 176.775 176.094 -0.513 0.000 1.069 682 V CA 0.779 62.816 62.300 -0.437 0.000 1.173 682 V CB 0.611 32.108 31.823 -0.543 0.000 0.925 682 V HN 0.906 nan 8.190 nan 0.000 0.492 683 I N 4.167 124.540 120.570 -0.329 0.000 3.002 683 I HA 0.919 5.089 4.170 -0.000 0.000 0.310 683 I C -0.111 175.981 176.117 -0.042 0.000 1.087 683 I CA -1.035 60.175 61.300 -0.150 0.000 1.017 683 I CB 2.071 39.986 38.000 -0.142 0.000 1.226 683 I HN 0.673 nan 8.210 nan 0.000 0.443 684 A N 2.894 125.718 122.820 0.008 0.000 2.327 684 A HA 0.858 5.178 4.320 -0.000 0.000 0.283 684 A C -0.103 177.244 177.584 -0.394 0.000 1.127 684 A CA -0.119 51.715 52.037 -0.337 0.000 0.810 684 A CB 0.482 18.895 19.000 -0.977 0.000 1.066 684 A HN 1.214 nan 8.150 nan 0.000 0.492 685 A N 1.580 124.198 122.820 -0.337 0.000 2.414 685 A HA 0.817 5.137 4.320 -0.000 0.000 0.306 685 A C 0.241 177.813 177.584 -0.021 0.000 1.054 685 A CA 0.013 51.895 52.037 -0.259 0.000 0.724 685 A CB 1.376 19.869 19.000 -0.846 0.000 1.267 685 A HN 1.705 nan 8.150 nan 0.000 0.418 686 G N -0.386 108.566 108.800 0.253 0.000 2.705 686 G HA2 0.468 4.428 3.960 -0.000 0.000 0.299 686 G HA3 0.468 4.428 3.960 -0.000 0.000 0.299 686 G C 0.586 175.615 174.900 0.216 0.000 1.315 686 G CA -0.458 44.745 45.100 0.173 0.000 1.045 686 G HN 0.851 nan 8.290 nan 0.000 0.517 687 R N -0.890 119.554 120.500 -0.094 0.000 2.148 687 R HA -0.017 4.322 4.340 -0.000 0.000 0.227 687 R C 2.610 178.905 176.300 -0.009 0.000 1.103 687 R CA 1.748 57.717 56.100 -0.219 0.000 0.983 687 R CB -0.339 29.380 30.300 -0.969 0.000 0.874 687 R HN 0.501 nan 8.270 nan 0.000 0.451 688 A N 0.658 123.547 122.820 0.116 0.000 1.858 688 A HA -0.110 4.209 4.320 -0.000 0.000 0.216 688 A C 2.351 180.174 177.584 0.399 0.000 1.190 688 A CA 1.665 53.927 52.037 0.375 0.000 0.617 688 A CB -0.922 18.416 19.000 0.564 0.000 0.827 688 A HN 0.494 nan 8.150 nan 0.000 0.443 689 A N -1.218 121.840 122.820 0.396 0.000 1.902 689 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 689 A C 2.064 179.894 177.584 0.410 0.000 1.181 689 A CA 1.637 53.919 52.037 0.408 0.000 0.623 689 A CB -0.799 18.410 19.000 0.349 0.000 0.818 689 A HN 0.698 nan 8.150 nan 0.000 0.443 690 F N 1.472 121.611 119.950 0.314 0.000 2.065 690 F HA -0.237 4.289 4.527 -0.000 0.000 0.298 690 F C 2.576 178.382 175.800 0.009 0.000 1.112 690 F CA 2.182 60.237 58.000 0.092 0.000 1.212 690 F CB -0.389 38.658 39.000 0.078 0.000 0.975 690 F HN 0.205 nan 8.300 nan 0.000 0.476 691 S N -0.817 115.004 115.700 0.202 0.000 2.382 691 S HA -0.217 4.253 4.470 -0.000 0.000 0.228 691 S C 2.227 176.845 174.600 0.030 0.000 1.027 691 S CA 1.248 59.495 58.200 0.080 0.000 0.991 691 S CB -0.634 62.698 63.200 0.220 0.000 0.823 691 S HN 0.552 nan 8.310 nan 0.000 0.469 692 S N 1.325 117.105 115.700 0.133 0.000 2.355 692 S HA 0.008 4.478 4.470 -0.000 0.000 0.222 692 S C 1.824 176.445 174.600 0.035 0.000 1.031 692 S CA 0.933 59.207 58.200 0.124 0.000 0.993 692 S CB -0.450 62.926 63.200 0.293 0.000 0.859 692 S HN 0.437 nan 8.310 nan 0.000 0.453 693 L N 1.077 122.304 121.223 0.007 0.000 2.046 693 L HA -0.013 4.327 4.340 -0.000 0.000 0.208 693 L C 2.899 179.645 176.870 -0.206 0.000 1.077 693 L CA 1.616 56.397 54.840 -0.098 0.000 0.747 693 L CB -0.511 41.475 42.059 -0.123 0.000 0.896 693 L HN 0.323 nan 8.230 nan 0.000 0.432 694 R N 0.186 120.467 120.500 -0.364 0.000 2.092 694 R HA -0.180 4.160 4.340 -0.000 0.000 0.231 694 R C 2.288 178.508 176.300 -0.133 0.000 1.119 694 R CA 1.250 57.112 56.100 -0.398 0.000 0.970 694 R CB -0.158 29.664 30.300 -0.797 0.000 0.864 694 R HN 0.188 nan 8.270 nan 0.000 0.440 695 L N 1.562 122.748 121.223 -0.062 0.000 2.141 695 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 695 L C 1.633 178.555 176.870 0.087 0.000 1.094 695 L CA 1.747 56.616 54.840 0.048 0.000 0.763 695 L CB -0.270 41.844 42.059 0.092 0.000 0.908 695 L HN 0.196 nan 8.230 nan 0.000 0.437 696 E N -0.858 119.362 120.200 0.032 0.000 2.267 696 E HA -0.196 4.154 4.350 -0.000 0.000 0.197 696 E C 1.368 178.020 176.600 0.087 0.000 0.998 696 E CA 0.635 57.065 56.400 0.049 0.000 0.830 696 E CB 0.068 29.769 29.700 0.002 0.000 0.751 696 E HN 0.270 nan 8.360 nan 0.000 0.491 697 K N -0.623 119.807 120.400 0.049 0.000 2.444 697 K HA 0.064 4.384 4.320 -0.000 0.000 0.193 697 K C 1.031 177.659 176.600 0.046 0.000 1.024 697 K CA 0.658 56.973 56.287 0.046 0.000 1.077 697 K CB 0.789 33.285 32.500 -0.006 0.000 0.833 697 K HN 0.246 nan 8.250 nan 0.000 0.517 698 G N 1.943 110.788 108.800 0.075 0.000 2.147 698 G HA2 -0.336 3.623 3.960 -0.000 0.000 0.244 698 G HA3 -0.336 3.623 3.960 -0.000 0.000 0.244 698 G C -0.038 174.838 174.900 -0.040 0.000 1.005 698 G CA 0.453 45.581 45.100 0.047 0.000 0.713 698 G HN 0.494 nan 8.290 nan 0.000 0.515 699 Y N 0.989 121.209 120.300 -0.134 0.000 2.610 699 Y HA 0.554 5.104 4.550 -0.000 0.000 0.332 699 Y C 0.656 176.459 175.900 -0.162 0.000 1.201 699 Y CA -0.510 57.529 58.100 -0.103 0.000 1.465 699 Y CB 0.552 38.987 38.460 -0.041 0.000 1.283 699 Y HN 0.192 nan 8.280 nan 0.000 0.563 700 R N 3.580 123.656 120.500 -0.708 0.000 2.297 700 R HA 0.278 4.618 4.340 -0.000 0.000 0.308 700 R C -0.723 174.998 176.300 -0.964 0.000 1.029 700 R CA -0.468 55.246 56.100 -0.643 0.000 0.929 700 R CB 1.465 31.580 30.300 -0.308 0.000 1.046 700 R HN 0.629 nan 8.270 nan 0.000 0.461 701 S N 3.311 118.726 115.700 -0.475 0.000 2.422 701 S HA 0.211 4.681 4.470 -0.000 0.000 0.298 701 S C -0.859 173.733 174.600 -0.013 0.000 1.118 701 S CA -0.773 57.338 58.200 -0.149 0.000 1.083 701 S CB 0.176 63.466 63.200 0.150 0.000 0.971 701 S HN 0.539 nan 8.310 nan 0.000 0.478 702 W N 4.896 126.170 121.300 -0.043 0.000 2.223 702 W HA 0.439 5.099 4.660 -0.000 0.000 0.334 702 W C 1.230 177.768 176.519 0.033 0.000 1.334 702 W CA 1.656 59.001 57.345 0.001 0.000 1.246 702 W CB 0.147 29.616 29.460 0.014 0.000 1.184 702 W HN 1.048 nan 8.180 nan 0.000 0.563 703 G N 2.256 110.367 108.800 -1.149 0.000 2.234 703 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.235 703 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.235 703 G C 0.668 175.315 174.900 -0.422 0.000 0.997 703 G CA 0.557 45.066 45.100 -0.985 0.000 0.623 703 G HN 0.616 nan 8.290 nan 0.000 0.514 704 T N -0.345 114.069 114.554 -0.233 0.000 3.330 704 T HA 0.183 4.533 4.350 -0.000 0.000 0.240 704 T C 1.490 176.184 174.700 -0.011 0.000 0.988 704 T CA 0.944 63.015 62.100 -0.049 0.000 1.253 704 T CB 0.025 68.901 68.868 0.014 0.000 1.163 704 T HN 0.126 nan 8.240 nan 0.000 0.382 705 D N 1.577 121.932 120.400 -0.074 0.000 2.277 705 D HA 0.053 4.693 4.640 -0.000 0.000 0.208 705 D C 0.798 177.053 176.300 -0.076 0.000 0.962 705 D CA 0.773 54.711 54.000 -0.105 0.000 0.865 705 D CB 0.208 40.873 40.800 -0.224 0.000 0.939 705 D HN 0.374 nan 8.370 nan 0.000 0.510 706 M N -0.367 119.177 119.600 -0.093 0.000 2.465 706 M HA 0.408 4.888 4.480 -0.000 0.000 0.284 706 M C -0.811 175.423 176.300 -0.110 0.000 1.212 706 M CA -0.677 54.628 55.300 0.009 0.000 0.910 706 M CB 1.678 34.329 32.600 0.085 0.000 1.725 706 M HN -0.153 nan 8.290 nan 0.000 0.477 707 T N -2.241 112.425 114.554 0.188 0.000 2.645 707 T HA 0.561 4.911 4.350 -0.000 0.000 0.273 707 T C 0.949 175.705 174.700 0.093 0.000 0.960 707 T CA 0.362 62.397 62.100 -0.108 0.000 1.051 707 T CB 0.873 69.586 68.868 -0.258 0.000 1.366 707 T HN 0.858 nan 8.240 nan 0.000 0.536 708 T N -1.581 113.017 114.554 0.074 0.000 3.051 708 T HA 0.017 4.367 4.350 -0.000 0.000 0.269 708 T C 1.239 175.872 174.700 -0.112 0.000 1.127 708 T CA 1.133 63.249 62.100 0.026 0.000 1.107 708 T CB -0.679 68.207 68.868 0.030 0.000 0.898 708 T HN 0.722 nan 8.240 nan 0.000 0.517 709 E N 0.496 120.523 120.200 -0.288 0.000 2.418 709 E HA -0.017 4.332 4.350 -0.000 0.000 0.197 709 E C 0.139 176.385 176.600 -0.590 0.000 1.026 709 E CA 0.485 56.600 56.400 -0.475 0.000 0.862 709 E CB 0.050 29.373 29.700 -0.628 0.000 0.799 709 E HN 0.722 nan 8.360 nan 0.000 0.518 710 H N 0.587 119.595 119.070 -0.102 0.000 2.622 710 H HA 0.158 4.713 4.556 -0.000 0.000 0.363 710 H C -0.429 174.887 175.328 -0.021 0.000 1.151 710 H CA -1.024 54.964 56.048 -0.101 0.000 1.184 710 H CB 1.471 31.162 29.762 -0.117 0.000 1.643 710 H HN 0.061 nan 8.280 nan 0.000 0.531 711 D N 1.476 121.953 120.400 0.127 0.000 2.388 711 D HA 0.180 4.820 4.640 -0.000 0.000 0.254 711 D C -1.961 174.355 176.300 0.027 0.000 1.111 711 D CA -2.223 51.828 54.000 0.085 0.000 0.993 711 D CB 0.942 41.823 40.800 0.135 0.000 1.118 711 D HN 0.060 nan 8.370 nan 0.000 0.502 712 P HA -0.064 nan 4.420 nan 0.000 0.218 712 P C 0.939 178.033 177.300 -0.344 0.000 1.148 712 P CA 1.184 64.081 63.100 -0.338 0.000 0.822 712 P CB -0.077 31.254 31.700 -0.616 0.000 0.784 713 F N -0.071 119.920 119.950 0.069 0.000 2.234 713 F HA -0.039 4.488 4.527 -0.000 0.000 0.296 713 F C 2.301 178.159 175.800 0.098 0.000 1.089 713 F CA 0.955 58.998 58.000 0.072 0.000 1.343 713 F CB -0.904 38.133 39.000 0.062 0.000 1.040 713 F HN -0.074 nan 8.300 nan 0.000 0.498 714 E N 0.489 120.848 120.200 0.265 0.000 2.110 714 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 714 E C 2.220 178.995 176.600 0.292 0.000 0.988 714 E CA 1.046 57.614 56.400 0.279 0.000 0.804 714 E CB -0.297 29.572 29.700 0.282 0.000 0.745 714 E HN 0.371 nan 8.360 nan 0.000 0.458 715 A N 0.325 123.268 122.820 0.205 0.000 2.206 715 A HA 0.190 4.510 4.320 -0.000 0.000 0.211 715 A C 1.700 179.302 177.584 0.029 0.000 1.158 715 A CA 0.807 52.904 52.037 0.101 0.000 0.761 715 A CB -0.398 18.646 19.000 0.074 0.000 0.801 715 A HN 0.333 nan 8.150 nan 0.000 0.473 716 G N -1.136 107.708 108.800 0.073 0.000 2.176 716 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.252 716 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.252 716 G C 0.325 175.316 174.900 0.151 0.000 1.024 716 G CA 0.464 45.630 45.100 0.111 0.000 0.755 716 G HN 0.588 nan 8.290 nan 0.000 0.507 717 L N 0.172 121.389 121.223 -0.009 0.000 2.965 717 L HA 0.342 4.682 4.340 -0.000 0.000 0.254 717 L C 2.392 178.975 176.870 -0.479 0.000 1.220 717 L CA 0.297 54.992 54.840 -0.242 0.000 1.023 717 L CB 0.177 42.102 42.059 -0.224 0.000 1.355 717 L HN 0.244 nan 8.230 nan 0.000 0.545 718 G N 1.315 109.989 108.800 -0.211 0.000 2.450 718 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.220 718 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.220 718 G C 1.354 176.210 174.900 -0.073 0.000 1.130 718 G CA 0.947 45.942 45.100 -0.176 0.000 0.760 718 G HN 0.553 nan 8.290 nan 0.000 0.557 719 F N 1.015 120.991 119.950 0.045 0.000 2.307 719 F HA 0.246 4.773 4.527 -0.000 0.000 0.301 719 F C 2.303 178.121 175.800 0.031 0.000 1.076 719 F CA 0.568 58.596 58.000 0.045 0.000 1.383 719 F CB -0.421 38.598 39.000 0.031 0.000 1.055 719 F HN 0.155 nan 8.300 nan 0.000 0.526 720 A N 0.412 122.782 122.820 -0.750 0.000 2.275 720 A HA 0.393 4.713 4.320 -0.000 0.000 0.212 720 A C 0.465 177.850 177.584 -0.332 0.000 1.201 720 A CA 0.109 51.851 52.037 -0.492 0.000 0.843 720 A CB -0.599 18.012 19.000 -0.649 0.000 0.873 720 A HN 0.148 nan 8.150 nan 0.000 0.492 721 V N 1.034 120.784 119.914 -0.273 0.000 2.347 721 V HA 0.212 4.332 4.120 -0.000 0.000 0.280 721 V C 0.170 176.204 176.094 -0.100 0.000 1.021 721 V CA -0.633 61.530 62.300 -0.228 0.000 0.847 721 V CB 1.323 33.042 31.823 -0.173 0.000 0.990 721 V HN 0.371 nan 8.190 nan 0.000 0.444 722 K N 5.213 125.504 120.400 -0.182 0.000 2.184 722 K HA 0.270 4.590 4.320 -0.000 0.000 0.259 722 K C 1.061 177.707 176.600 0.077 0.000 1.119 722 K CA -0.591 55.667 56.287 -0.049 0.000 0.991 722 K CB 0.399 32.852 32.500 -0.079 0.000 1.522 722 K HN 0.550 nan 8.250 nan 0.000 0.405 723 M N 1.697 121.408 119.600 0.185 0.000 2.446 723 M HA -0.099 4.381 4.480 -0.000 0.000 0.263 723 M C 1.742 178.181 176.300 0.231 0.000 1.066 723 M CA 0.934 56.410 55.300 0.295 0.000 1.087 723 M CB -0.845 31.898 32.600 0.237 0.000 1.406 723 M HN 0.636 nan 8.290 nan 0.000 0.459 724 A N 0.142 123.058 122.820 0.159 0.000 2.067 724 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 724 A C 1.198 178.865 177.584 0.137 0.000 1.158 724 A CA 0.514 52.623 52.037 0.120 0.000 0.661 724 A CB -0.399 18.651 19.000 0.083 0.000 0.801 724 A HN 0.387 nan 8.150 nan 0.000 0.452 725 K N -0.456 120.057 120.400 0.188 0.000 2.561 725 K HA 0.186 4.506 4.320 -0.000 0.000 0.280 725 K C 1.466 178.187 176.600 0.201 0.000 0.975 725 K CA 0.428 56.839 56.287 0.207 0.000 1.024 725 K CB 0.313 32.992 32.500 0.299 0.000 0.883 725 K HN 0.462 nan 8.250 nan 0.000 0.496 726 E N 1.729 122.010 120.200 0.136 0.000 2.106 726 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 726 E C 0.771 177.411 176.600 0.068 0.000 0.984 726 E CA 1.570 58.021 56.400 0.085 0.000 0.806 726 E CB 0.254 29.990 29.700 0.060 0.000 0.750 726 E HN 0.477 nan 8.360 nan 0.000 0.458 727 S N -1.431 114.343 115.700 0.124 0.000 2.543 727 S HA 0.626 5.095 4.470 -0.000 0.000 0.273 727 S C -1.527 173.201 174.600 0.214 0.000 1.152 727 S CA -0.346 57.890 58.200 0.060 0.000 0.910 727 S CB 0.445 63.674 63.200 0.048 0.000 1.105 727 S HN 0.965 nan 8.310 nan 0.000 0.465 728 F N 1.513 121.468 119.950 0.009 0.000 2.725 728 F HA 0.567 5.093 4.527 -0.000 0.000 0.309 728 F C -1.263 174.524 175.800 -0.022 0.000 1.132 728 F CA -1.404 56.589 58.000 -0.010 0.000 0.957 728 F CB 0.399 39.386 39.000 -0.021 0.000 1.286 728 F HN 0.413 nan 8.300 nan 0.000 0.440 729 I N 2.730 123.365 120.570 0.108 0.000 2.741 729 I HA 0.306 4.476 4.170 -0.000 0.000 0.288 729 I C 1.279 177.365 176.117 -0.051 0.000 1.192 729 I CA 1.637 62.879 61.300 -0.096 0.000 1.426 729 I CB 0.206 38.077 38.000 -0.216 0.000 1.367 729 I HN 1.163 nan 8.210 nan 0.000 0.563 730 G N 4.923 113.636 108.800 -0.144 0.000 2.194 730 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.236 730 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.236 730 G C 1.163 175.963 174.900 -0.168 0.000 0.987 730 G CA 0.379 45.434 45.100 -0.074 0.000 0.635 730 G HN 0.695 nan 8.290 nan 0.000 0.520 731 K N 0.653 120.695 120.400 -0.597 0.000 2.032 731 K HA -0.025 4.295 4.320 -0.000 0.000 0.209 731 K C 2.675 179.111 176.600 -0.274 0.000 1.048 731 K CA 2.237 58.045 56.287 -0.798 0.000 0.927 731 K CB -0.811 30.856 32.500 -1.388 0.000 0.712 731 K HN 0.463 nan 8.250 nan 0.000 0.441 732 G N 0.284 108.964 108.800 -0.199 0.000 2.418 732 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.217 732 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.217 732 G C 1.564 176.444 174.900 -0.034 0.000 1.158 732 G CA 0.890 45.936 45.100 -0.090 0.000 0.771 732 G HN 0.453 nan 8.290 nan 0.000 0.545 733 A N 0.313 123.123 122.820 -0.015 0.000 2.019 733 A HA 0.167 4.487 4.320 -0.000 0.000 0.219 733 A C 2.251 179.866 177.584 0.052 0.000 1.164 733 A CA 0.941 52.991 52.037 0.022 0.000 0.644 733 A CB -0.241 18.780 19.000 0.035 0.000 0.805 733 A HN 0.370 nan 8.150 nan 0.000 0.449 734 L N -0.099 121.170 121.223 0.077 0.000 2.558 734 L HA 0.055 4.395 4.340 -0.000 0.000 0.225 734 L C 0.090 177.024 176.870 0.106 0.000 1.128 734 L CA -0.272 54.673 54.840 0.175 0.000 0.868 734 L CB -0.274 41.980 42.059 0.325 0.000 1.006 734 L HN 0.275 nan 8.230 nan 0.000 0.454 735 E N 1.198 121.422 120.200 0.040 0.000 2.558 735 E HA 0.009 4.358 4.350 -0.000 0.000 0.255 735 E C 1.185 177.771 176.600 -0.024 0.000 0.968 735 E CA 1.036 57.441 56.400 0.008 0.000 0.939 735 E CB 0.606 30.303 29.700 -0.006 0.000 0.921 735 E HN 0.376 nan 8.360 nan 0.000 0.477 736 G N 3.892 112.659 108.800 -0.054 0.000 2.234 736 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 736 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 736 G C 0.435 175.234 174.900 -0.168 0.000 0.987 736 G CA 0.332 45.379 45.100 -0.088 0.000 0.625 736 G HN 0.468 nan 8.290 nan 0.000 0.532 737 R N 1.106 121.455 120.500 -0.251 0.000 2.490 737 R HA 0.563 4.903 4.340 -0.000 0.000 0.278 737 R C 0.545 176.320 176.300 -0.875 0.000 1.069 737 R CA 0.696 56.551 56.100 -0.409 0.000 1.080 737 R CB 0.899 31.052 30.300 -0.245 0.000 1.030 737 R HN 0.466 nan 8.270 nan 0.000 0.491 738 T N -2.526 111.659 114.554 -0.616 0.000 2.883 738 T HA 0.216 4.566 4.350 -0.000 0.000 0.296 738 T C 0.718 175.331 174.700 -0.145 0.000 1.117 738 T CA -1.024 60.758 62.100 -0.530 0.000 1.006 738 T CB 1.864 70.597 68.868 -0.224 0.000 1.191 738 T HN 0.542 nan 8.240 nan 0.000 0.508 739 E N 0.383 120.636 120.200 0.089 0.000 2.077 739 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 739 E C 1.632 178.285 176.600 0.089 0.000 0.989 739 E CA 1.356 57.868 56.400 0.187 0.000 0.800 739 E CB -0.050 29.781 29.700 0.218 0.000 0.746 739 E HN 0.717 nan 8.360 nan 0.000 0.452 740 E N 0.522 120.747 120.200 0.042 0.000 2.204 740 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 740 E C 1.541 178.148 176.600 0.011 0.000 0.989 740 E CA 1.085 57.498 56.400 0.023 0.000 0.824 740 E CB -0.035 29.670 29.700 0.009 0.000 0.756 740 E HN 0.254 nan 8.360 nan 0.000 0.477 741 A N 0.139 122.957 122.820 -0.004 0.000 2.275 741 A HA 0.160 4.479 4.320 -0.000 0.000 0.212 741 A C 0.777 178.370 177.584 0.015 0.000 1.201 741 A CA -0.165 51.868 52.037 -0.006 0.000 0.843 741 A CB 0.190 19.171 19.000 -0.032 0.000 0.873 741 A HN 0.041 nan 8.150 nan 0.000 0.492 742 S N 0.263 115.990 115.700 0.044 0.000 2.531 742 S HA 0.373 4.843 4.470 -0.000 0.000 0.279 742 S C 1.509 176.146 174.600 0.062 0.000 1.305 742 S CA 0.143 58.388 58.200 0.075 0.000 1.058 742 S CB 1.393 64.674 63.200 0.134 0.000 0.899 742 S HN 0.600 nan 8.310 nan 0.000 0.493 743 A N 4.524 127.378 122.820 0.057 0.000 1.969 743 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 743 A C 0.947 178.565 177.584 0.056 0.000 1.169 743 A CA 1.064 53.128 52.037 0.045 0.000 0.635 743 A CB 0.051 19.072 19.000 0.036 0.000 0.810 743 A HN 0.735 nan 8.150 nan 0.000 0.445 744 R N -0.953 119.601 120.500 0.089 0.000 2.686 744 R HA 0.652 4.992 4.340 -0.000 0.000 0.283 744 R C -1.159 175.266 176.300 0.209 0.000 0.978 744 R CA -0.585 55.594 56.100 0.131 0.000 0.897 744 R CB 1.978 32.356 30.300 0.129 0.000 1.192 744 R HN 0.244 nan 8.270 nan 0.000 0.457 745 R N 1.471 122.088 120.500 0.194 0.000 2.673 745 R HA 0.322 4.662 4.340 -0.000 0.000 0.281 745 R C -1.143 175.130 176.300 -0.045 0.000 0.991 745 R CA -1.195 54.987 56.100 0.137 0.000 0.896 745 R CB 1.952 32.284 30.300 0.054 0.000 1.201 745 R HN 0.260 nan 8.270 nan 0.000 0.457 746 L N 3.087 124.138 121.223 -0.285 0.000 2.410 746 L HA 0.257 4.597 4.340 -0.000 0.000 0.273 746 L C -0.546 176.184 176.870 -0.234 0.000 1.144 746 L CA 0.599 55.052 54.840 -0.645 0.000 0.863 746 L CB 0.184 41.773 42.059 -0.783 0.000 1.140 746 L HN 0.406 nan 8.230 nan 0.000 0.463 747 R N 3.717 124.087 120.500 -0.216 0.000 2.750 747 R HA 0.399 4.739 4.340 -0.000 0.000 0.281 747 R C -1.204 174.856 176.300 -0.399 0.000 0.972 747 R CA -0.638 55.344 56.100 -0.196 0.000 0.912 747 R CB 1.315 31.503 30.300 -0.186 0.000 1.187 747 R HN 0.720 nan 8.270 nan 0.000 0.464 748 C N 4.274 123.234 119.300 -0.567 0.000 2.347 748 C HA 0.593 5.053 4.460 -0.000 0.000 0.353 748 C C -0.138 174.535 174.990 -0.527 0.000 1.273 748 C CA -0.414 58.000 59.018 -1.007 0.000 1.861 748 C CB -1.000 26.310 27.740 -0.717 0.000 2.420 748 C HN 0.566 nan 8.230 nan 0.000 0.542 749 L N 6.188 127.124 121.223 -0.478 0.000 2.346 749 L HA 0.650 4.990 4.340 -0.000 0.000 0.274 749 L C 0.396 177.138 176.870 -0.213 0.000 1.007 749 L CA -0.224 54.462 54.840 -0.256 0.000 0.818 749 L CB 2.234 44.189 42.059 -0.174 0.000 1.284 749 L HN 0.743 nan 8.230 nan 0.000 0.424 750 T N -0.869 113.594 114.554 -0.153 0.000 2.856 750 T HA 0.653 5.002 4.350 -0.000 0.000 0.283 750 T C -0.457 174.186 174.700 -0.094 0.000 1.008 750 T CA -0.699 61.321 62.100 -0.133 0.000 0.997 750 T CB 1.834 70.621 68.868 -0.134 0.000 0.992 750 T HN 0.160 nan 8.240 nan 0.000 0.454 751 I N 3.484 124.001 120.570 -0.088 0.000 2.396 751 I HA 0.214 4.384 4.170 -0.000 0.000 0.289 751 I C 1.013 177.103 176.117 -0.046 0.000 1.056 751 I CA -0.299 60.969 61.300 -0.054 0.000 1.365 751 I CB 0.699 38.671 38.000 -0.045 0.000 1.407 751 I HN 0.681 nan 8.210 nan 0.000 0.509 752 D N 3.228 123.610 120.400 -0.031 0.000 2.144 752 D HA -0.184 4.455 4.640 -0.000 0.000 0.199 752 D C 1.501 177.790 176.300 -0.020 0.000 0.984 752 D CA 1.322 55.306 54.000 -0.027 0.000 0.834 752 D CB -0.101 40.688 40.800 -0.017 0.000 0.955 752 D HN 0.683 nan 8.370 nan 0.000 0.465 753 D N -0.634 119.761 120.400 -0.010 0.000 2.378 753 D HA 0.030 4.670 4.640 -0.000 0.000 0.227 753 D C 1.590 177.895 176.300 0.010 0.000 1.012 753 D CA 0.965 54.965 54.000 -0.000 0.000 0.905 753 D CB -0.448 40.355 40.800 0.006 0.000 0.895 753 D HN 0.209 nan 8.370 nan 0.000 0.532 754 G N 1.187 109.992 108.800 0.008 0.000 2.175 754 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.265 754 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.265 754 G C 1.097 176.071 174.900 0.123 0.000 0.979 754 G CA 0.857 45.980 45.100 0.040 0.000 0.663 754 G HN 0.676 nan 8.290 nan 0.000 0.533 755 R N -2.030 118.520 120.500 0.083 0.000 2.646 755 R HA 0.372 4.712 4.340 -0.000 0.000 0.226 755 R C 0.608 176.937 176.300 0.047 0.000 0.928 755 R CA 0.549 56.699 56.100 0.083 0.000 1.010 755 R CB 0.012 30.334 30.300 0.037 0.000 1.516 755 R HN 0.214 nan 8.270 nan 0.000 0.621 756 S N 2.437 118.143 115.700 0.011 0.000 2.681 756 S HA 0.343 4.813 4.470 -0.000 0.000 0.313 756 S C 0.049 174.580 174.600 -0.114 0.000 1.137 756 S CA -0.468 57.699 58.200 -0.056 0.000 1.045 756 S CB 0.079 63.253 63.200 -0.043 0.000 1.208 756 S HN 0.171 nan 8.310 nan 0.000 0.523 757 I N 3.800 124.302 120.570 -0.113 0.000 2.529 757 I HA 0.184 4.354 4.170 -0.000 0.000 0.284 757 I C 0.498 176.453 176.117 -0.270 0.000 1.082 757 I CA -0.421 60.834 61.300 -0.076 0.000 1.406 757 I CB 0.761 38.789 38.000 0.047 0.000 1.405 757 I HN 0.293 nan 8.210 nan 0.000 0.548 758 V N 5.111 124.956 119.914 -0.115 0.000 2.994 758 V HA 0.496 4.615 4.120 -0.000 0.000 0.318 758 V C 0.156 176.348 176.094 0.164 0.000 1.085 758 V CA -0.628 61.660 62.300 -0.021 0.000 0.998 758 V CB 2.106 33.961 31.823 0.053 0.000 1.063 758 V HN 0.744 nan 8.190 nan 0.000 0.447 759 L N 1.022 122.417 121.223 0.285 0.000 2.685 759 L HA 0.723 5.063 4.340 -0.000 0.000 0.235 759 L C 0.993 178.018 176.870 0.257 0.000 1.070 759 L CA 0.762 55.778 54.840 0.293 0.000 0.888 759 L CB 0.909 43.190 42.059 0.370 0.000 1.203 759 L HN 1.165 nan 8.230 nan 0.000 0.499 760 G N -0.148 108.809 108.800 0.262 0.000 2.306 760 G HA2 0.091 4.051 3.960 -0.000 0.000 0.340 760 G HA3 0.091 4.051 3.960 -0.000 0.000 0.340 760 G C -0.107 174.958 174.900 0.276 0.000 1.630 760 G CA -0.380 44.874 45.100 0.257 0.000 0.937 760 G HN 0.046 nan 8.290 nan 0.000 0.693 761 K N -1.231 119.349 120.400 0.300 0.000 3.587 761 K HA -0.187 4.133 4.320 -0.000 0.000 0.294 761 K C 0.492 177.153 176.600 0.101 0.000 1.279 761 K CA 1.753 58.190 56.287 0.250 0.000 1.004 761 K CB -0.926 31.746 32.500 0.286 0.000 1.276 761 K HN 0.701 nan 8.250 nan 0.000 0.459 762 E N 2.596 122.878 120.200 0.137 0.000 2.414 762 E HA 0.046 4.395 4.350 -0.000 0.000 0.263 762 E C -2.242 174.389 176.600 0.051 0.000 1.000 762 E CA -1.247 55.194 56.400 0.069 0.000 0.914 762 E CB 0.250 30.039 29.700 0.148 0.000 0.948 762 E HN 0.100 nan 8.360 nan 0.000 0.444 763 P HA 0.036 nan 4.420 nan 0.000 0.275 763 P C -0.782 176.481 177.300 -0.061 0.000 1.228 763 P CA -0.200 62.840 63.100 -0.100 0.000 0.786 763 P CB 0.902 32.484 31.700 -0.196 0.000 0.927 764 V N 3.783 123.584 119.914 -0.188 0.000 2.495 764 V HA 0.417 4.537 4.120 -0.000 0.000 0.298 764 V C -0.156 175.786 176.094 -0.252 0.000 1.031 764 V CA -0.345 61.913 62.300 -0.071 0.000 0.871 764 V CB 0.910 32.724 31.823 -0.015 0.000 0.988 764 V HN 0.371 nan 8.190 nan 0.000 0.432 765 F N 3.756 123.751 119.950 0.076 0.000 2.495 765 F HA 0.601 5.127 4.527 -0.000 0.000 0.327 765 F C -0.617 175.271 175.800 0.147 0.000 1.103 765 F CA -0.688 57.364 58.000 0.088 0.000 0.949 765 F CB 1.795 40.823 39.000 0.046 0.000 1.142 765 F HN 0.490 nan 8.300 nan 0.000 0.457 766 Y N 2.995 123.393 120.300 0.162 0.000 2.361 766 Y HA 0.365 4.915 4.550 -0.000 0.000 0.337 766 Y C -0.017 175.944 175.900 0.103 0.000 0.965 766 Y CA -1.847 56.314 58.100 0.101 0.000 1.091 766 Y CB 1.215 39.706 38.460 0.052 0.000 1.182 766 Y HN 0.675 nan 8.280 nan 0.000 0.450 767 K N 5.726 125.863 120.400 -0.438 0.000 3.177 767 K HA -0.280 4.040 4.320 -0.000 0.000 0.266 767 K C -0.116 176.438 176.600 -0.076 0.000 0.937 767 K CA 1.178 57.279 56.287 -0.310 0.000 0.702 767 K CB -0.745 31.493 32.500 -0.436 0.000 1.365 767 K HN 0.852 nan 8.250 nan 0.000 0.466 768 E N -2.553 117.660 120.200 0.022 0.000 3.916 768 E HA -0.217 4.133 4.350 -0.000 0.000 0.331 768 E C -0.450 176.299 176.600 0.248 0.000 0.729 768 E CA 1.362 57.807 56.400 0.075 0.000 1.222 768 E CB -0.851 28.841 29.700 -0.012 0.000 1.633 768 E HN 0.617 nan 8.360 nan 0.000 0.437 769 Q N -0.191 119.772 119.800 0.272 0.000 2.282 769 Q HA 0.652 4.992 4.340 -0.000 0.000 0.260 769 Q C 0.016 176.132 176.000 0.193 0.000 0.964 769 Q CA 0.016 55.972 55.803 0.255 0.000 0.880 769 Q CB 1.855 30.682 28.738 0.147 0.000 1.286 769 Q HN 0.194 nan 8.270 nan 0.000 0.445 770 A N 2.097 124.907 122.820 -0.017 0.000 2.484 770 A HA 0.273 4.593 4.320 -0.000 0.000 0.268 770 A C 0.895 178.380 177.584 -0.165 0.000 1.114 770 A CA -0.114 51.642 52.037 -0.468 0.000 0.780 770 A CB -0.218 18.498 19.000 -0.473 0.000 1.061 770 A HN 0.618 nan 8.150 nan 0.000 0.505 771 V N 0.400 120.229 119.914 -0.142 0.000 3.398 771 V HA 0.661 4.780 4.120 -0.000 0.000 0.298 771 V C 0.557 176.646 176.094 -0.008 0.000 1.496 771 V CA 0.588 62.877 62.300 -0.018 0.000 1.044 771 V CB -0.444 31.404 31.823 0.042 0.000 0.880 771 V HN 1.445 nan 8.190 nan 0.000 0.443 772 G N 0.107 108.882 108.800 -0.041 0.000 2.490 772 G HA2 0.650 4.610 3.960 -0.000 0.000 0.308 772 G HA3 0.650 4.610 3.960 -0.000 0.000 0.308 772 G C -1.758 173.173 174.900 0.052 0.000 1.286 772 G CA -0.137 44.958 45.100 -0.009 0.000 0.825 772 G HN 1.009 nan 8.290 nan 0.000 0.479 773 Y N -2.373 117.951 120.300 0.040 0.000 2.641 773 Y HA 0.670 5.220 4.550 -0.000 0.000 0.333 773 Y C -0.751 175.201 175.900 0.088 0.000 1.174 773 Y CA -1.573 56.539 58.100 0.020 0.000 1.057 773 Y CB 0.911 39.376 38.460 0.008 0.000 1.322 773 Y HN 0.517 nan 8.280 nan 0.000 0.457 774 V N 3.320 123.375 119.914 0.235 0.000 2.521 774 V HA 0.211 4.331 4.120 -0.000 0.000 0.286 774 V C 0.817 177.077 176.094 0.276 0.000 1.034 774 V CA 0.809 63.217 62.300 0.179 0.000 1.045 774 V CB 0.570 32.500 31.823 0.178 0.000 0.974 774 V HN 1.141 nan 8.190 nan 0.000 0.480 775 T N 2.199 116.852 114.554 0.166 0.000 3.244 775 T HA 0.138 4.488 4.350 -0.000 0.000 0.186 775 T C 0.818 175.623 174.700 0.175 0.000 0.768 775 T CA 0.058 62.273 62.100 0.191 0.000 2.211 775 T CB -0.103 68.816 68.868 0.085 0.000 2.114 775 T HN 0.486 nan 8.240 nan 0.000 0.420 776 S N 1.121 116.902 115.700 0.135 0.000 2.601 776 S HA 0.704 5.174 4.470 -0.000 0.000 0.271 776 S C -0.216 174.501 174.600 0.195 0.000 1.305 776 S CA -0.338 57.949 58.200 0.145 0.000 1.022 776 S CB 0.698 63.940 63.200 0.070 0.000 0.940 776 S HN 0.998 nan 8.310 nan 0.000 0.525 777 A N 0.841 123.771 122.820 0.184 0.000 2.604 777 A HA 0.897 5.216 4.320 -0.000 0.000 0.295 777 A C -1.080 176.600 177.584 0.160 0.000 1.067 777 A CA -0.305 51.832 52.037 0.168 0.000 0.683 777 A CB 1.266 20.362 19.000 0.159 0.000 1.281 777 A HN 1.361 nan 8.150 nan 0.000 0.407 778 A N -0.095 122.796 122.820 0.118 0.000 2.586 778 A HA 0.598 4.918 4.320 -0.000 0.000 0.291 778 A C -1.704 175.900 177.584 0.034 0.000 1.062 778 A CA -0.519 51.588 52.037 0.116 0.000 0.666 778 A CB 0.178 19.250 19.000 0.119 0.000 1.281 778 A HN 1.858 nan 8.150 nan 0.000 0.421 779 Y N 1.213 121.447 120.300 -0.109 0.000 2.402 779 Y HA 0.444 4.994 4.550 -0.000 0.000 0.333 779 Y C 0.964 176.589 175.900 -0.458 0.000 1.076 779 Y CA 0.915 58.848 58.100 -0.278 0.000 1.299 779 Y CB 0.915 39.165 38.460 -0.350 0.000 1.197 779 Y HN 0.858 nan 8.280 nan 0.000 0.517 780 G N 5.921 114.242 108.800 -0.798 0.000 2.391 780 G HA2 0.087 4.046 3.960 -0.000 0.000 0.305 780 G HA3 0.087 4.046 3.960 -0.000 0.000 0.305 780 G C -0.272 174.338 174.900 -0.483 0.000 1.072 780 G CA -0.347 44.453 45.100 -0.501 0.000 1.016 780 G HN 0.931 nan 8.290 nan 0.000 0.418 781 Y N 1.653 122.033 120.300 0.132 0.000 2.373 781 Y HA -0.102 4.448 4.550 -0.000 0.000 0.293 781 Y C 2.932 178.881 175.900 0.081 0.000 1.129 781 Y CA 1.549 59.831 58.100 0.303 0.000 1.226 781 Y CB 0.205 38.958 38.460 0.488 0.000 1.000 781 Y HN 0.499 nan 8.280 nan 0.000 0.549 782 T N -0.803 113.809 114.554 0.096 0.000 2.937 782 T HA -0.096 4.254 4.350 -0.000 0.000 0.260 782 T C 1.938 176.512 174.700 -0.209 0.000 1.051 782 T CA 1.434 63.430 62.100 -0.172 0.000 1.141 782 T CB -0.562 68.244 68.868 -0.104 0.000 0.879 782 T HN 0.326 nan 8.240 nan 0.000 0.459 783 V N -0.828 118.993 119.914 -0.155 0.000 3.541 783 V HA 0.637 4.757 4.120 -0.000 0.000 0.267 783 V C 1.322 177.294 176.094 -0.202 0.000 1.213 783 V CA -0.012 62.192 62.300 -0.159 0.000 1.149 783 V CB -1.369 30.372 31.823 -0.137 0.000 0.822 783 V HN 0.494 nan 8.190 nan 0.000 0.462 784 A N 0.638 123.321 122.820 -0.230 0.000 2.739 784 A HA -0.172 4.147 4.320 -0.000 0.000 0.296 784 A C 0.356 177.796 177.584 -0.240 0.000 1.488 784 A CA 1.585 53.540 52.037 -0.137 0.000 0.746 784 A CB -2.151 16.811 19.000 -0.062 0.000 1.047 784 A HN 1.202 nan 8.150 nan 0.000 0.477 785 K N -2.653 117.354 120.400 -0.655 0.000 2.607 785 K HA 0.695 5.014 4.320 -0.000 0.000 0.287 785 K C -3.673 172.439 176.600 -0.814 0.000 0.996 785 K CA -2.016 53.937 56.287 -0.556 0.000 0.876 785 K CB 1.265 33.617 32.500 -0.247 0.000 1.496 785 K HN -0.016 nan 8.250 nan 0.000 0.415 786 P HA 0.258 nan 4.420 nan 0.000 0.271 786 P C -0.736 176.445 177.300 -0.198 0.000 1.216 786 P CA -0.126 62.831 63.100 -0.240 0.000 0.776 786 P CB 0.430 32.112 31.700 -0.030 0.000 0.881 787 I N 1.402 121.886 120.570 -0.145 0.000 2.569 787 I HA 0.737 4.907 4.170 -0.000 0.000 0.296 787 I C -0.220 175.881 176.117 -0.026 0.000 1.028 787 I CA -0.810 60.429 61.300 -0.102 0.000 1.082 787 I CB 2.157 40.117 38.000 -0.066 0.000 1.264 787 I HN 0.293 nan 8.210 nan 0.000 0.429 788 A N 4.612 127.395 122.820 -0.061 0.000 2.488 788 A HA 0.742 5.062 4.320 -0.000 0.000 0.298 788 A C -1.832 175.697 177.584 -0.091 0.000 1.044 788 A CA -0.382 51.661 52.037 0.009 0.000 0.693 788 A CB 1.005 20.010 19.000 0.009 0.000 1.272 788 A HN 0.539 nan 8.150 nan 0.000 0.402 789 Y N 0.570 120.840 120.300 -0.051 0.000 2.419 789 Y HA 0.743 5.293 4.550 -0.000 0.000 0.328 789 Y C 0.909 176.721 175.900 -0.147 0.000 1.162 789 Y CA 0.187 58.218 58.100 -0.115 0.000 1.174 789 Y CB 2.218 40.596 38.460 -0.138 0.000 1.228 789 Y HN 0.779 nan 8.280 nan 0.000 0.473 790 S N 1.298 116.934 115.700 -0.105 0.000 2.537 790 S HA 0.444 4.914 4.470 -0.000 0.000 0.271 790 S C -1.802 172.626 174.600 -0.287 0.000 1.148 790 S CA -0.734 57.350 58.200 -0.193 0.000 0.868 790 S CB 0.357 63.474 63.200 -0.139 0.000 1.115 790 S HN 0.439 nan 8.310 nan 0.000 0.461 791 Y N 2.683 122.840 120.300 -0.239 0.000 2.497 791 Y HA 0.499 5.049 4.550 -0.000 0.000 0.334 791 Y C 0.447 176.269 175.900 -0.131 0.000 1.199 791 Y CA 0.349 58.350 58.100 -0.166 0.000 1.425 791 Y CB 0.515 38.882 38.460 -0.155 0.000 1.291 791 Y HN 0.488 nan 8.280 nan 0.000 0.562 792 L N 4.501 125.744 121.223 0.032 0.000 2.376 792 L HA 0.484 4.824 4.340 -0.000 0.000 0.258 792 L C -2.589 174.279 176.870 -0.003 0.000 1.013 792 L CA -2.580 52.248 54.840 -0.021 0.000 0.822 792 L CB 2.436 44.435 42.059 -0.101 0.000 1.388 792 L HN 0.359 nan 8.230 nan 0.000 0.413 793 P HA -0.003 nan 4.420 nan 0.000 0.266 793 P C 0.656 177.929 177.300 -0.045 0.000 1.195 793 P CA 0.121 63.209 63.100 -0.020 0.000 0.768 793 P CB 0.680 32.361 31.700 -0.031 0.000 0.838 794 G N 1.870 110.663 108.800 -0.011 0.000 2.479 794 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 794 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 794 G C 1.169 176.046 174.900 -0.039 0.000 1.115 794 G CA 1.236 46.328 45.100 -0.013 0.000 0.757 794 G HN 0.591 nan 8.290 nan 0.000 0.560 795 T N -1.378 113.145 114.554 -0.051 0.000 3.085 795 T HA 0.200 4.550 4.350 -0.000 0.000 0.263 795 T C 0.863 175.486 174.700 -0.128 0.000 1.127 795 T CA -0.004 62.061 62.100 -0.058 0.000 1.103 795 T CB 0.030 68.885 68.868 -0.023 0.000 0.921 795 T HN -0.048 nan 8.240 nan 0.000 0.510 796 V N 2.539 122.317 119.914 -0.226 0.000 2.530 796 V HA 0.403 4.523 4.120 -0.000 0.000 0.282 796 V C 0.274 176.256 176.094 -0.187 0.000 1.048 796 V CA -0.518 61.570 62.300 -0.353 0.000 0.997 796 V CB 1.058 32.558 31.823 -0.538 0.000 0.987 796 V HN 0.417 nan 8.190 nan 0.000 0.477 797 S N 2.875 118.491 115.700 -0.139 0.000 2.664 797 S HA 0.561 5.030 4.470 -0.000 0.000 0.304 797 S C -0.222 174.336 174.600 -0.070 0.000 1.099 797 S CA -0.701 57.451 58.200 -0.079 0.000 1.003 797 S CB 1.925 65.099 63.200 -0.044 0.000 1.092 797 S HN 0.455 nan 8.310 nan 0.000 0.525 798 V N 2.037 121.916 119.914 -0.058 0.000 2.681 798 V HA 0.287 4.407 4.120 -0.000 0.000 0.306 798 V C 1.529 177.600 176.094 -0.038 0.000 1.077 798 V CA 1.877 64.145 62.300 -0.054 0.000 1.224 798 V CB -0.249 31.545 31.823 -0.048 0.000 0.879 798 V HN 1.329 nan 8.190 nan 0.000 0.494 799 G N 3.582 112.361 108.800 -0.036 0.000 2.234 799 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.235 799 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.235 799 G C -0.004 174.897 174.900 0.002 0.000 0.997 799 G CA 0.070 45.158 45.100 -0.020 0.000 0.623 799 G HN 0.673 nan 8.290 nan 0.000 0.514 800 D N 0.579 120.984 120.400 0.008 0.000 2.357 800 D HA 0.518 5.158 4.640 -0.000 0.000 0.242 800 D C 0.422 176.768 176.300 0.076 0.000 1.153 800 D CA 0.749 54.789 54.000 0.067 0.000 0.918 800 D CB 1.447 42.288 40.800 0.068 0.000 1.181 800 D HN 0.203 nan 8.370 nan 0.000 0.435 801 S N -0.064 115.718 115.700 0.137 0.000 2.475 801 S HA 0.650 5.119 4.470 -0.000 0.000 0.298 801 S C -0.557 174.153 174.600 0.182 0.000 1.119 801 S CA -0.663 57.600 58.200 0.106 0.000 1.085 801 S CB 0.517 63.756 63.200 0.065 0.000 1.028 801 S HN 0.284 nan 8.310 nan 0.000 0.489 802 V N 1.340 121.335 119.914 0.135 0.000 3.102 802 V HA 0.757 4.877 4.120 -0.000 0.000 0.312 802 V C -1.400 174.772 176.094 0.130 0.000 1.135 802 V CA -1.023 61.384 62.300 0.178 0.000 1.022 802 V CB 2.052 33.967 31.823 0.154 0.000 1.056 802 V HN 0.693 nan 8.190 nan 0.000 0.436 803 D N 1.270 121.776 120.400 0.176 0.000 2.248 803 D HA 0.695 5.335 4.640 -0.000 0.000 0.246 803 D C -0.716 175.725 176.300 0.235 0.000 1.027 803 D CA -0.016 54.078 54.000 0.157 0.000 0.853 803 D CB 2.197 43.061 40.800 0.106 0.000 1.243 803 D HN 0.666 nan 8.370 nan 0.000 0.462 804 I N 1.126 121.801 120.570 0.175 0.000 2.378 804 I HA 0.199 4.369 4.170 -0.000 0.000 0.291 804 I C 0.391 176.635 176.117 0.212 0.000 0.992 804 I CA -0.733 60.686 61.300 0.199 0.000 1.154 804 I CB 1.741 39.818 38.000 0.127 0.000 1.315 804 I HN 0.144 nan 8.210 nan 0.000 0.448 805 E N 6.043 126.401 120.200 0.264 0.000 2.194 805 E HA 0.176 4.526 4.350 -0.000 0.000 0.284 805 E C -1.763 174.942 176.600 0.175 0.000 1.035 805 E CA -0.456 56.056 56.400 0.187 0.000 0.836 805 E CB 0.958 30.775 29.700 0.194 0.000 1.070 805 E HN 0.474 nan 8.360 nan 0.000 0.401 806 Y N 5.420 125.741 120.300 0.035 0.000 2.326 806 Y HA 0.230 4.780 4.550 -0.000 0.000 0.329 806 Y C -0.827 175.134 175.900 0.101 0.000 0.973 806 Y CA -1.077 57.052 58.100 0.047 0.000 1.162 806 Y CB 0.400 38.950 38.460 0.151 0.000 1.147 806 Y HN 0.710 nan 8.280 nan 0.000 0.456 807 F N 4.677 124.344 119.950 -0.472 0.000 3.004 807 F HA -0.234 4.292 4.527 -0.000 0.000 0.264 807 F C 1.501 177.175 175.800 -0.209 0.000 0.979 807 F CA 1.623 59.366 58.000 -0.429 0.000 0.896 807 F CB -1.176 37.484 39.000 -0.566 0.000 0.813 807 F HN 0.964 nan 8.300 nan 0.000 0.804 808 G N -0.174 108.576 108.800 -0.084 0.000 2.184 808 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.264 808 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.264 808 G C 0.405 175.300 174.900 -0.009 0.000 0.975 808 G CA 0.287 45.358 45.100 -0.048 0.000 0.642 808 G HN 0.731 nan 8.290 nan 0.000 0.536 809 R N 0.425 120.954 120.500 0.048 0.000 2.407 809 R HA 0.577 4.917 4.340 -0.000 0.000 0.303 809 R C 0.075 176.413 176.300 0.064 0.000 0.981 809 R CA -0.947 55.188 56.100 0.058 0.000 0.905 809 R CB 0.501 30.866 30.300 0.108 0.000 1.099 809 R HN 0.045 nan 8.270 nan 0.000 0.459 810 R N 4.980 125.485 120.500 0.009 0.000 2.267 810 R HA 0.263 4.603 4.340 -0.000 0.000 0.319 810 R C -0.336 175.987 176.300 0.037 0.000 1.067 810 R CA -0.239 55.864 56.100 0.004 0.000 0.936 810 R CB 0.386 30.641 30.300 -0.076 0.000 1.006 810 R HN 0.583 nan 8.270 nan 0.000 0.452 811 I N 2.319 122.929 120.570 0.067 0.000 2.336 811 I HA 0.142 4.312 4.170 -0.000 0.000 0.292 811 I C 0.458 176.601 176.117 0.043 0.000 0.991 811 I CA -0.409 60.923 61.300 0.053 0.000 1.227 811 I CB 1.734 39.767 38.000 0.055 0.000 1.366 811 I HN 0.325 nan 8.210 nan 0.000 0.466 812 T N 5.751 120.320 114.554 0.025 0.000 2.851 812 T HA 0.576 4.925 4.350 -0.000 0.000 0.298 812 T C 0.058 174.766 174.700 0.014 0.000 0.977 812 T CA -0.398 61.716 62.100 0.023 0.000 1.126 812 T CB 1.059 69.934 68.868 0.011 0.000 0.916 812 T HN 0.718 nan 8.240 nan 0.000 0.529 813 A N 2.686 125.516 122.820 0.017 0.000 2.515 813 A HA 0.791 5.111 4.320 -0.000 0.000 0.296 813 A C -0.247 177.332 177.584 -0.009 0.000 1.094 813 A CA -0.866 51.167 52.037 -0.007 0.000 0.718 813 A CB 1.639 20.630 19.000 -0.014 0.000 1.307 813 A HN 0.656 nan 8.150 nan 0.000 0.408 814 T N 1.100 115.633 114.554 -0.036 0.000 2.807 814 T HA 0.475 4.825 4.350 -0.000 0.000 0.279 814 T C -0.252 174.405 174.700 -0.071 0.000 0.993 814 T CA -0.360 61.718 62.100 -0.038 0.000 0.970 814 T CB 1.277 70.122 68.868 -0.039 0.000 0.950 814 T HN 0.557 nan 8.240 nan 0.000 0.441 815 V N 4.529 124.403 119.914 -0.067 0.000 2.450 815 V HA 0.206 4.326 4.120 -0.000 0.000 0.281 815 V C 0.668 176.702 176.094 -0.100 0.000 1.019 815 V CA 0.241 62.480 62.300 -0.102 0.000 1.062 815 V CB -0.033 31.733 31.823 -0.095 0.000 0.979 815 V HN 0.972 nan 8.190 nan 0.000 0.477 816 T N 4.647 119.122 114.554 -0.132 0.000 2.863 816 T HA 0.321 4.671 4.350 -0.000 0.000 0.285 816 T C -0.166 174.470 174.700 -0.107 0.000 1.009 816 T CA -0.541 61.491 62.100 -0.113 0.000 0.989 816 T CB 1.783 70.576 68.868 -0.124 0.000 1.004 816 T HN 0.817 nan 8.240 nan 0.000 0.455 817 E N 2.357 122.512 120.200 -0.076 0.000 2.384 817 E HA 0.163 4.513 4.350 -0.000 0.000 0.266 817 E C -0.650 175.920 176.600 -0.051 0.000 1.012 817 E CA -0.394 55.970 56.400 -0.059 0.000 0.901 817 E CB 0.480 30.151 29.700 -0.049 0.000 0.967 817 E HN 0.662 nan 8.360 nan 0.000 0.435 818 D N 3.646 124.029 120.400 -0.027 0.000 2.374 818 D HA 0.426 5.066 4.640 -0.000 0.000 0.239 818 D C -2.516 173.781 176.300 -0.005 0.000 0.991 818 D CA -2.167 51.837 54.000 0.007 0.000 0.960 818 D CB 0.328 41.181 40.800 0.089 0.000 1.284 818 D HN 0.139 nan 8.370 nan 0.000 0.512 819 P HA 0.164 nan 4.420 nan 0.000 0.266 819 P C 0.829 178.139 177.300 0.016 0.000 1.195 819 P CA -0.283 62.830 63.100 0.021 0.000 0.768 819 P CB 0.674 32.371 31.700 -0.004 0.000 0.838 820 L N 0.874 122.123 121.223 0.043 0.000 2.201 820 L HA -0.071 4.269 4.340 -0.000 0.000 0.212 820 L C 0.828 177.747 176.870 0.082 0.000 1.105 820 L CA 1.034 55.893 54.840 0.031 0.000 0.775 820 L CB -0.384 41.684 42.059 0.014 0.000 0.913 820 L HN 0.440 nan 8.230 nan 0.000 0.440 821 Y N 0.131 120.408 120.300 -0.039 0.000 2.364 821 Y HA 0.223 4.772 4.550 -0.000 0.000 0.340 821 Y C 0.004 175.875 175.900 -0.047 0.000 0.975 821 Y CA -1.438 56.640 58.100 -0.037 0.000 1.089 821 Y CB 0.973 39.422 38.460 -0.018 0.000 1.192 821 Y HN 0.069 nan 8.280 nan 0.000 0.454 822 D N 6.201 126.237 120.400 -0.606 0.000 2.735 822 D HA -0.161 4.479 4.640 -0.000 0.000 0.235 822 D C -1.938 174.187 176.300 -0.291 0.000 1.175 822 D CA 0.728 54.380 54.000 -0.580 0.000 0.683 822 D CB 0.117 40.360 40.800 -0.929 0.000 1.008 822 D HN 0.501 nan 8.370 nan 0.000 0.416 823 P HA -0.151 nan 4.420 nan 0.000 0.225 823 P C 0.786 177.995 177.300 -0.151 0.000 1.148 823 P CA 0.854 63.870 63.100 -0.141 0.000 0.779 823 P CB 0.169 31.806 31.700 -0.105 0.000 0.780 824 K N -0.527 119.775 120.400 -0.164 0.000 2.458 824 K HA 0.230 4.549 4.320 -0.000 0.000 0.194 824 K C 0.802 177.297 176.600 -0.174 0.000 1.024 824 K CA -0.105 56.092 56.287 -0.151 0.000 1.108 824 K CB -0.331 32.091 32.500 -0.130 0.000 0.846 824 K HN 0.050 nan 8.250 nan 0.000 0.518 825 M N 0.313 119.791 119.600 -0.204 0.000 2.682 825 M HA -0.252 4.227 4.480 -0.000 0.000 0.196 825 M C 1.274 177.443 176.300 -0.219 0.000 0.542 825 M CA 1.226 56.390 55.300 -0.227 0.000 0.593 825 M CB -2.193 30.253 32.600 -0.257 0.000 2.183 825 M HN 0.304 nan 8.290 nan 0.000 0.663 826 T N -1.988 112.450 114.554 -0.193 0.000 2.803 826 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 826 T C 1.565 176.181 174.700 -0.140 0.000 1.052 826 T CA 1.356 63.363 62.100 -0.154 0.000 1.136 826 T CB -0.119 68.670 68.868 -0.133 0.000 0.864 826 T HN 0.528 nan 8.240 nan 0.000 0.467 827 R N 0.741 121.151 120.500 -0.151 0.000 2.236 827 R HA 0.317 4.656 4.340 -0.000 0.000 0.208 827 R C 2.223 178.454 176.300 -0.115 0.000 1.036 827 R CA 0.433 56.476 56.100 -0.095 0.000 1.001 827 R CB -0.629 29.651 30.300 -0.033 0.000 0.896 827 R HN 0.467 nan 8.270 nan 0.000 0.464 828 L N -0.131 120.979 121.223 -0.188 0.000 2.408 828 L HA 0.130 4.470 4.340 -0.000 0.000 0.215 828 L C 1.540 178.227 176.870 -0.306 0.000 1.081 828 L CA 0.274 54.956 54.840 -0.262 0.000 0.840 828 L CB -0.156 41.648 42.059 -0.426 0.000 1.002 828 L HN 0.026 nan 8.230 nan 0.000 0.468 829 R N 1.026 121.365 120.500 -0.270 0.000 2.528 829 R HA 0.620 4.960 4.340 -0.000 0.000 0.271 829 R C 0.664 176.914 176.300 -0.085 0.000 1.056 829 R CA 0.167 56.149 56.100 -0.198 0.000 1.117 829 R CB -0.354 29.837 30.300 -0.182 0.000 1.085 829 R HN 0.328 nan 8.270 nan 0.000 0.530 830 G N 0.000 108.781 108.800 -0.032 0.000 5.446 830 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 830 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 830 G CA 0.000 45.102 45.100 0.004 0.000 0.502 830 G HN 0.000 nan 8.290 nan 0.000 0.925