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 1pj7_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 0.000 174.354 174.700 -0.577 0.000 1.109 4 T CA 0.000 61.686 62.100 -0.689 0.000 1.349 4 T CB 0.000 68.118 68.868 -1.250 0.000 0.612 5 P HA 0.418 nan 4.420 nan 0.000 0.269 5 P C -0.567 176.582 177.300 -0.251 0.000 1.215 5 P CA -0.503 62.374 63.100 -0.372 0.000 0.780 5 P CB 0.320 31.827 31.700 -0.322 0.000 0.898 6 R N 2.119 122.537 120.500 -0.137 0.000 2.248 6 R HA 0.369 4.709 4.340 -0.000 0.000 0.328 6 R C -0.161 176.112 176.300 -0.045 0.000 1.067 6 R CA -0.079 55.969 56.100 -0.087 0.000 0.924 6 R CB -0.001 30.260 30.300 -0.065 0.000 1.013 6 R HN 0.459 nan 8.270 nan 0.000 0.454 7 I N 3.201 123.749 120.570 -0.037 0.000 2.404 7 I HA 0.304 4.474 4.170 -0.000 0.000 0.293 7 I C -0.429 175.662 176.117 -0.043 0.000 0.992 7 I CA -1.088 60.203 61.300 -0.014 0.000 1.149 7 I CB 2.043 40.056 38.000 0.022 0.000 1.315 7 I HN 0.213 nan 8.210 nan 0.000 0.446 8 V N 7.205 127.092 119.914 -0.045 0.000 2.409 8 V HA 0.439 4.559 4.120 -0.000 0.000 0.291 8 V C 0.018 176.061 176.094 -0.086 0.000 1.020 8 V CA -0.490 61.770 62.300 -0.067 0.000 0.848 8 V CB 1.835 33.632 31.823 -0.045 0.000 0.990 8 V HN 0.479 nan 8.190 nan 0.000 0.430 9 I N 5.745 126.251 120.570 -0.107 0.000 2.331 9 I HA 0.430 4.599 4.170 -0.000 0.000 0.292 9 I C -0.311 175.747 176.117 -0.099 0.000 0.998 9 I CA -0.262 60.973 61.300 -0.108 0.000 1.267 9 I CB 1.407 39.343 38.000 -0.107 0.000 1.386 9 I HN 0.437 nan 8.210 nan 0.000 0.476 10 I N 5.917 126.431 120.570 -0.092 0.000 2.312 10 I HA 0.574 4.744 4.170 -0.000 0.000 0.290 10 I C 0.460 176.528 176.117 -0.081 0.000 1.008 10 I CA -0.242 61.010 61.300 -0.080 0.000 1.226 10 I CB 1.106 39.072 38.000 -0.056 0.000 1.371 10 I HN 0.815 nan 8.210 nan 0.000 0.468 11 G N 4.460 113.205 108.800 -0.092 0.000 3.233 11 G HA2 0.143 4.103 3.960 -0.000 0.000 0.686 11 G HA3 0.143 4.103 3.960 -0.000 0.000 0.686 11 G C -0.424 174.456 174.900 -0.033 0.000 1.153 11 G CA -0.354 44.694 45.100 -0.087 0.000 0.853 11 G HN 0.914 nan 8.290 nan 0.000 0.582 12 A N 1.739 124.549 122.820 -0.017 0.000 2.827 12 A HA 0.784 5.104 4.320 -0.000 0.000 0.300 12 A C 1.386 178.978 177.584 0.012 0.000 1.237 12 A CA 1.067 53.134 52.037 0.049 0.000 0.964 12 A CB -0.199 18.859 19.000 0.097 0.000 1.143 12 A HN 2.134 nan 8.150 nan 0.000 0.554 13 G N -0.582 108.216 108.800 -0.003 0.000 2.570 13 G HA2 0.328 4.287 3.960 -0.000 0.000 0.276 13 G HA3 0.328 4.287 3.960 -0.000 0.000 0.276 13 G C 0.948 175.855 174.900 0.011 0.000 1.346 13 G CA -0.069 45.032 45.100 0.002 0.000 1.034 13 G HN 0.320 nan 8.290 nan 0.000 0.512 14 I N -0.630 119.948 120.570 0.014 0.000 2.454 14 I HA -0.136 4.034 4.170 -0.000 0.000 0.254 14 I C 2.543 178.670 176.117 0.016 0.000 1.156 14 I CA 1.055 62.365 61.300 0.016 0.000 1.433 14 I CB 0.040 38.055 38.000 0.026 0.000 1.082 14 I HN 0.147 nan 8.210 nan 0.000 0.432 15 V N 0.377 120.301 119.914 0.017 0.000 2.283 15 V HA -0.095 4.025 4.120 -0.000 0.000 0.243 15 V C 2.519 178.610 176.094 -0.004 0.000 1.039 15 V CA 1.863 64.166 62.300 0.005 0.000 1.016 15 V CB -1.567 30.261 31.823 0.008 0.000 0.650 15 V HN 0.516 nan 8.190 nan 0.000 0.449 16 G N 0.204 109.004 108.800 0.001 0.000 2.408 16 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 16 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 16 G C 1.777 176.695 174.900 0.029 0.000 1.150 16 G CA 1.624 46.722 45.100 -0.003 0.000 0.776 16 G HN 0.570 nan 8.290 nan 0.000 0.542 17 T N -1.276 113.313 114.554 0.057 0.000 2.896 17 T HA -0.044 4.305 4.350 -0.000 0.000 0.263 17 T C 2.100 176.833 174.700 0.056 0.000 1.050 17 T CA 1.082 63.241 62.100 0.098 0.000 1.140 17 T CB -0.303 68.614 68.868 0.081 0.000 0.877 17 T HN 0.145 nan 8.240 nan 0.000 0.457 18 N N 1.309 120.024 118.700 0.024 0.000 2.104 18 N HA -0.063 4.677 4.740 -0.000 0.000 0.190 18 N C 1.851 177.363 175.510 0.003 0.000 1.024 18 N CA 1.345 54.403 53.050 0.012 0.000 0.853 18 N CB -0.427 38.063 38.487 0.004 0.000 1.008 18 N HN 0.302 nan 8.380 nan 0.000 0.424 19 L N 1.495 122.709 121.223 -0.015 0.000 2.017 19 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 19 L C 2.262 179.114 176.870 -0.030 0.000 1.073 19 L CA 1.766 56.580 54.840 -0.043 0.000 0.745 19 L CB -1.013 41.006 42.059 -0.067 0.000 0.894 19 L HN 0.103 nan 8.230 nan 0.000 0.432 20 A N -0.584 122.233 122.820 -0.005 0.000 1.884 20 A HA -0.364 3.956 4.320 -0.000 0.000 0.219 20 A C 2.119 179.720 177.584 0.029 0.000 1.197 20 A CA 2.321 54.365 52.037 0.011 0.000 0.637 20 A CB -1.301 17.731 19.000 0.053 0.000 0.827 20 A HN 0.626 nan 8.150 nan 0.000 0.450 21 D N -0.883 119.542 120.400 0.040 0.000 2.092 21 D HA -0.156 4.484 4.640 -0.000 0.000 0.193 21 D C 1.913 178.223 176.300 0.017 0.000 0.994 21 D CA 1.558 55.579 54.000 0.035 0.000 0.828 21 D CB -0.099 40.720 40.800 0.033 0.000 0.963 21 D HN 0.427 nan 8.370 nan 0.000 0.450 22 E N -0.244 119.957 120.200 0.001 0.000 2.204 22 E HA -0.115 4.234 4.350 -0.000 0.000 0.195 22 E C 2.376 178.938 176.600 -0.064 0.000 0.990 22 E CA 0.376 56.762 56.400 -0.023 0.000 0.821 22 E CB -0.112 29.563 29.700 -0.042 0.000 0.750 22 E HN 0.451 nan 8.360 nan 0.000 0.477 23 L N -0.001 121.188 121.223 -0.055 0.000 2.072 23 L HA -0.117 4.223 4.340 -0.000 0.000 0.205 23 L C 2.527 179.414 176.870 0.027 0.000 1.079 23 L CA 0.478 55.285 54.840 -0.054 0.000 0.752 23 L CB -0.404 41.657 42.059 0.004 0.000 0.906 23 L HN -0.050 nan 8.230 nan 0.000 0.436 24 V N 0.150 120.090 119.914 0.044 0.000 2.255 24 V HA -0.338 3.782 4.120 -0.000 0.000 0.247 24 V C 2.740 178.864 176.094 0.049 0.000 1.051 24 V CA 2.550 64.888 62.300 0.063 0.000 1.018 24 V CB -0.978 30.876 31.823 0.052 0.000 0.641 24 V HN 0.714 nan 8.190 nan 0.000 0.445 25 T N -1.771 112.797 114.554 0.023 0.000 3.051 25 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 25 T C 1.618 176.321 174.700 0.005 0.000 1.127 25 T CA 1.032 63.142 62.100 0.017 0.000 1.107 25 T CB -0.365 68.511 68.868 0.013 0.000 0.898 25 T HN 0.449 nan 8.240 nan 0.000 0.517 26 R N 0.290 120.781 120.500 -0.015 0.000 2.388 26 R HA 0.392 4.732 4.340 -0.000 0.000 0.247 26 R C 1.663 178.001 176.300 0.065 0.000 0.931 26 R CA 0.335 56.407 56.100 -0.046 0.000 1.082 26 R CB 0.121 30.308 30.300 -0.189 0.000 1.135 26 R HN 0.555 nan 8.270 nan 0.000 0.525 27 G N -0.063 108.816 108.800 0.132 0.000 2.176 27 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.253 27 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.253 27 G C -0.614 174.501 174.900 0.358 0.000 0.979 27 G CA -0.304 44.923 45.100 0.212 0.000 0.641 27 G HN 0.216 nan 8.290 nan 0.000 0.530 28 W N 1.895 123.175 121.300 -0.035 0.000 2.288 28 W HA 0.651 5.311 4.660 -0.000 0.000 0.325 28 W C 0.736 177.230 176.519 -0.042 0.000 1.019 28 W CA -0.813 56.507 57.345 -0.042 0.000 1.403 28 W CB 0.532 29.959 29.460 -0.055 0.000 1.226 28 W HN 0.311 nan 8.180 nan 0.000 0.391 29 N N 0.448 119.213 118.700 0.109 0.000 2.171 29 N HA -0.031 4.708 4.740 -0.000 0.000 0.212 29 N C 0.111 175.618 175.510 -0.004 0.000 1.184 29 N CA -0.087 52.994 53.050 0.050 0.000 0.888 29 N CB -0.238 38.272 38.487 0.038 0.000 1.038 29 N HN 0.144 nan 8.380 nan 0.000 0.517 30 N N 1.510 120.185 118.700 -0.041 0.000 3.193 30 N HA 0.122 4.862 4.740 -0.000 0.000 0.312 30 N C -1.056 174.418 175.510 -0.059 0.000 1.261 30 N CA 0.021 53.030 53.050 -0.070 0.000 1.208 30 N CB -0.458 37.958 38.487 -0.119 0.000 1.471 30 N HN 0.373 nan 8.380 nan 0.000 0.548 31 I N 0.517 121.052 120.570 -0.059 0.000 2.465 31 I HA 0.196 4.366 4.170 -0.000 0.000 0.291 31 I C -0.009 176.024 176.117 -0.141 0.000 1.014 31 I CA -0.625 60.623 61.300 -0.085 0.000 1.093 31 I CB 2.111 40.065 38.000 -0.077 0.000 1.267 31 I HN -0.063 nan 8.210 nan 0.000 0.431 32 T N 5.429 119.896 114.554 -0.145 0.000 2.771 32 T HA 0.448 4.798 4.350 -0.000 0.000 0.281 32 T C -0.255 174.303 174.700 -0.236 0.000 0.982 32 T CA -0.484 61.504 62.100 -0.187 0.000 0.978 32 T CB 1.579 70.377 68.868 -0.116 0.000 0.930 32 T HN 0.166 nan 8.240 nan 0.000 0.447 33 V N 5.467 125.148 119.914 -0.388 0.000 2.347 33 V HA 0.410 4.530 4.120 -0.000 0.000 0.280 33 V C -0.078 175.907 176.094 -0.181 0.000 1.021 33 V CA -0.776 61.316 62.300 -0.348 0.000 0.847 33 V CB 0.836 32.275 31.823 -0.639 0.000 0.990 33 V HN 0.720 nan 8.190 nan 0.000 0.444 34 L N 4.561 125.720 121.223 -0.108 0.000 2.309 34 L HA 0.711 5.051 4.340 -0.000 0.000 0.282 34 L C -0.363 176.467 176.870 -0.067 0.000 1.036 34 L CA -0.215 54.583 54.840 -0.070 0.000 0.806 34 L CB 1.563 43.580 42.059 -0.070 0.000 1.220 34 L HN 0.567 nan 8.230 nan 0.000 0.429 35 D N 0.993 121.357 120.400 -0.059 0.000 2.947 35 D HA 0.091 4.731 4.640 -0.000 0.000 0.224 35 D C 0.031 176.262 176.300 -0.115 0.000 1.230 35 D CA -0.351 53.586 54.000 -0.106 0.000 0.871 35 D CB 2.326 43.080 40.800 -0.077 0.000 1.671 35 D HN 0.694 nan 8.370 nan 0.000 0.507 36 Q N 1.542 121.231 119.800 -0.186 0.000 2.378 36 Q HA 0.160 4.500 4.340 -0.000 0.000 0.205 36 Q C 0.810 176.745 176.000 -0.107 0.000 0.954 36 Q CA 0.127 55.838 55.803 -0.154 0.000 0.901 36 Q CB 0.316 28.921 28.738 -0.223 0.000 0.981 36 Q HN 0.275 nan 8.270 nan 0.000 0.483 37 G N 2.314 111.040 108.800 -0.123 0.000 2.522 37 G HA2 0.439 4.399 3.960 -0.000 0.000 0.304 37 G HA3 0.439 4.399 3.960 -0.000 0.000 0.304 37 G C -2.642 172.238 174.900 -0.033 0.000 1.210 37 G CA -1.573 43.488 45.100 -0.064 0.000 0.960 37 G HN 0.064 nan 8.290 nan 0.000 0.497 38 P HA 0.147 nan 4.420 nan 0.000 0.275 38 P C 1.112 178.403 177.300 -0.016 0.000 1.228 38 P CA -0.395 62.703 63.100 -0.004 0.000 0.786 38 P CB 1.491 33.196 31.700 0.009 0.000 0.927 39 L N 1.705 122.918 121.223 -0.015 0.000 2.127 39 L HA -0.206 4.134 4.340 -0.000 0.000 0.211 39 L C 2.325 179.164 176.870 -0.052 0.000 1.089 39 L CA 1.678 56.498 54.840 -0.034 0.000 0.757 39 L CB -0.916 41.119 42.059 -0.039 0.000 0.899 39 L HN 0.530 nan 8.230 nan 0.000 0.434 40 N N 0.451 119.129 118.700 -0.037 0.000 2.453 40 N HA -0.187 4.553 4.740 -0.000 0.000 0.183 40 N C 0.839 176.329 175.510 -0.032 0.000 1.041 40 N CA 0.901 53.928 53.050 -0.037 0.000 0.900 40 N CB 0.255 38.727 38.487 -0.024 0.000 0.961 40 N HN 0.379 nan 8.380 nan 0.000 0.443 41 M N -0.429 119.155 119.600 -0.027 0.000 2.800 41 M HA 0.234 4.714 4.480 -0.000 0.000 0.245 41 M C -2.578 173.706 176.300 -0.026 0.000 1.158 41 M CA -0.980 54.305 55.300 -0.025 0.000 0.810 41 M CB 1.514 34.104 32.600 -0.017 0.000 3.019 41 M HN -0.285 nan 8.290 nan 0.000 0.381 42 P HA 0.018 nan 4.420 nan 0.000 0.216 42 P C 0.960 178.229 177.300 -0.051 0.000 1.150 42 P CA 2.597 65.668 63.100 -0.048 0.000 0.843 42 P CB 0.279 31.946 31.700 -0.054 0.000 0.787 43 G N -2.977 105.808 108.800 -0.026 0.000 2.159 43 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.227 43 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.227 43 G C 0.626 175.584 174.900 0.097 0.000 0.986 43 G CA -0.280 44.816 45.100 -0.008 0.000 0.651 43 G HN 0.663 nan 8.290 nan 0.000 0.523 44 G N -0.049 108.820 108.800 0.115 0.000 2.516 44 G HA2 0.484 4.444 3.960 -0.000 0.000 0.276 44 G HA3 0.484 4.444 3.960 -0.000 0.000 0.276 44 G C 1.324 176.306 174.900 0.136 0.000 1.390 44 G CA 0.956 46.209 45.100 0.256 0.000 1.050 44 G HN 0.651 nan 8.290 nan 0.000 0.519 45 S N -0.935 114.842 115.700 0.128 0.000 2.399 45 S HA -0.124 4.346 4.470 -0.000 0.000 0.231 45 S C 2.519 176.928 174.600 -0.318 0.000 1.022 45 S CA 1.703 59.801 58.200 -0.170 0.000 0.983 45 S CB -0.357 62.905 63.200 0.102 0.000 0.803 45 S HN 0.605 nan 8.310 nan 0.000 0.480 46 T N 2.119 116.616 114.554 -0.094 0.000 2.803 46 T HA -0.063 4.287 4.350 -0.000 0.000 0.269 46 T C 1.947 176.597 174.700 -0.083 0.000 1.052 46 T CA 1.360 63.420 62.100 -0.067 0.000 1.136 46 T CB -0.351 68.507 68.868 -0.016 0.000 0.864 46 T HN 0.358 nan 8.240 nan 0.000 0.467 47 S N 0.630 116.284 115.700 -0.078 0.000 2.507 47 S HA -0.092 4.378 4.470 -0.000 0.000 0.235 47 S C 1.529 176.114 174.600 -0.025 0.000 0.988 47 S CA 0.688 58.860 58.200 -0.046 0.000 0.944 47 S CB -0.337 62.847 63.200 -0.027 0.000 0.762 47 S HN 0.845 nan 8.310 nan 0.000 0.526 48 H N -1.237 117.825 119.070 -0.012 0.000 2.893 48 H HA 0.597 5.152 4.556 -0.000 0.000 0.270 48 H C 0.388 175.746 175.328 0.049 0.000 1.095 48 H CA -0.159 55.861 56.048 -0.047 0.000 1.186 48 H CB 0.005 29.673 29.762 -0.156 0.000 1.562 48 H HN 0.220 nan 8.280 nan 0.000 0.536 49 A N 3.337 126.179 122.820 0.036 0.000 2.477 49 A HA 0.212 4.531 4.320 -0.000 0.000 0.246 49 A C -0.991 176.617 177.584 0.040 0.000 1.078 49 A CA -1.072 51.020 52.037 0.091 0.000 0.770 49 A CB 0.465 19.496 19.000 0.052 0.000 1.011 49 A HN 0.333 nan 8.150 nan 0.000 0.494 50 P HA 0.075 nan 4.420 nan 0.000 0.231 50 P C 0.883 178.211 177.300 0.046 0.000 1.168 50 P CA 1.174 64.256 63.100 -0.030 0.000 0.779 50 P CB 0.180 31.789 31.700 -0.151 0.000 0.844 51 G N -0.506 108.326 108.800 0.053 0.000 2.132 51 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.228 51 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.228 51 G C -0.268 174.631 174.900 -0.001 0.000 1.000 51 G CA -0.406 44.719 45.100 0.041 0.000 0.693 51 G HN 0.220 nan 8.290 nan 0.000 0.515 52 L N 0.294 121.502 121.223 -0.025 0.000 2.455 52 L HA 0.480 4.820 4.340 -0.000 0.000 0.272 52 L C 0.673 177.452 176.870 -0.151 0.000 1.174 52 L CA 0.186 54.943 54.840 -0.138 0.000 0.869 52 L CB 1.588 43.556 42.059 -0.150 0.000 1.130 52 L HN 0.025 nan 8.230 nan 0.000 0.474 53 V N 4.961 124.741 119.914 -0.225 0.000 2.357 53 V HA 0.352 4.472 4.120 -0.000 0.000 0.281 53 V C -0.587 175.357 176.094 -0.251 0.000 1.015 53 V CA -0.428 61.803 62.300 -0.115 0.000 0.827 53 V CB 0.746 32.638 31.823 0.115 0.000 1.018 53 V HN 0.382 nan 8.190 nan 0.000 0.432 54 F N 3.318 123.243 119.950 -0.042 0.000 2.361 54 F HA 0.400 4.927 4.527 -0.000 0.000 0.364 54 F C 1.423 177.212 175.800 -0.018 0.000 1.117 54 F CA -0.251 57.741 58.000 -0.014 0.000 1.071 54 F CB 1.834 40.806 39.000 -0.046 0.000 1.188 54 F HN 0.452 nan 8.300 nan 0.000 0.464 55 Q N 0.804 120.706 119.800 0.170 0.000 2.123 55 Q HA -0.023 4.317 4.340 -0.000 0.000 0.199 55 Q C 0.567 176.675 176.000 0.180 0.000 0.966 55 Q CA 0.791 56.674 55.803 0.133 0.000 0.845 55 Q CB -0.041 28.760 28.738 0.105 0.000 0.907 55 Q HN 0.577 nan 8.270 nan 0.000 0.439 56 T N 2.007 116.682 114.554 0.201 0.000 2.928 56 T HA 0.088 4.438 4.350 -0.000 0.000 0.305 56 T C -0.074 174.749 174.700 0.205 0.000 1.035 56 T CA 0.170 62.403 62.100 0.221 0.000 1.145 56 T CB 0.256 69.236 68.868 0.187 0.000 0.963 56 T HN 0.166 nan 8.240 nan 0.000 0.545 57 N N 2.425 121.266 118.700 0.235 0.000 2.446 57 N HA 0.207 4.947 4.740 -0.000 0.000 0.272 57 N C -2.371 173.099 175.510 -0.066 0.000 1.127 57 N CA -1.738 51.367 53.050 0.092 0.000 0.896 57 N CB 2.540 41.064 38.487 0.061 0.000 1.658 57 N HN 0.142 nan 8.380 nan 0.000 0.483 58 P HA -0.079 nan 4.420 nan 0.000 0.221 58 P C 0.443 177.582 177.300 -0.269 0.000 1.145 58 P CA 0.897 63.454 63.100 -0.905 0.000 0.795 58 P CB 0.255 31.684 31.700 -0.452 0.000 0.775 59 S N -0.135 115.434 115.700 -0.218 0.000 2.438 59 S HA 0.201 4.671 4.470 -0.000 0.000 0.293 59 S C 1.280 175.420 174.600 -0.767 0.000 1.141 59 S CA -0.776 57.212 58.200 -0.352 0.000 1.080 59 S CB 0.755 63.782 63.200 -0.289 0.000 0.978 59 S HN -0.073 nan 8.310 nan 0.000 0.479 60 K N 3.406 123.006 120.400 -1.333 0.000 2.044 60 K HA -0.144 4.176 4.320 -0.000 0.000 0.210 60 K C 1.614 177.569 176.600 -1.076 0.000 1.049 60 K CA 2.240 57.325 56.287 -2.003 0.000 0.927 60 K CB -0.694 30.631 32.500 -1.958 0.000 0.713 60 K HN 0.736 nan 8.250 nan 0.000 0.443 61 T N 1.519 115.580 114.554 -0.821 0.000 2.652 61 T HA -0.152 4.197 4.350 -0.000 0.000 0.267 61 T C 1.854 175.959 174.700 -0.992 0.000 1.039 61 T CA 1.644 63.228 62.100 -0.861 0.000 1.153 61 T CB -0.080 68.340 68.868 -0.746 0.000 0.863 61 T HN 0.195 nan 8.240 nan 0.000 0.428 62 M N 1.149 120.337 119.600 -0.687 0.000 2.117 62 M HA 0.048 4.527 4.480 -0.000 0.000 0.262 62 M C 2.781 178.997 176.300 -0.140 0.000 1.065 62 M CA 1.325 56.365 55.300 -0.432 0.000 1.114 62 M CB -1.647 30.724 32.600 -0.381 0.000 1.361 62 M HN 0.307 nan 8.290 nan 0.000 0.408 63 A N 0.548 123.208 122.820 -0.266 0.000 1.933 63 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 63 A C 2.448 179.999 177.584 -0.054 0.000 1.175 63 A CA 2.367 54.349 52.037 -0.092 0.000 0.628 63 A CB -0.914 18.016 19.000 -0.117 0.000 0.814 63 A HN 0.617 nan 8.150 nan 0.000 0.444 64 S N -0.909 114.668 115.700 -0.206 0.000 2.402 64 S HA -0.074 4.396 4.470 -0.000 0.000 0.229 64 S C 1.861 176.554 174.600 0.155 0.000 1.021 64 S CA 1.050 59.208 58.200 -0.070 0.000 0.974 64 S CB -0.923 62.174 63.200 -0.172 0.000 0.800 64 S HN 0.548 nan 8.310 nan 0.000 0.484 65 F N 1.940 121.915 119.950 0.043 0.000 2.171 65 F HA -0.037 4.490 4.527 -0.000 0.000 0.300 65 F C 2.973 178.874 175.800 0.169 0.000 1.090 65 F CA 0.521 58.603 58.000 0.137 0.000 1.293 65 F CB -0.290 38.821 39.000 0.184 0.000 1.013 65 F HN 0.387 nan 8.300 nan 0.000 0.486 66 A N 0.240 123.266 122.820 0.343 0.000 1.898 66 A HA -0.112 4.208 4.320 -0.000 0.000 0.214 66 A C 2.108 179.717 177.584 0.042 0.000 1.183 66 A CA 0.888 52.998 52.037 0.121 0.000 0.622 66 A CB -0.408 18.635 19.000 0.071 0.000 0.824 66 A HN 0.182 nan 8.150 nan 0.000 0.444 67 K N -1.423 119.027 120.400 0.083 0.000 2.063 67 K HA -0.199 4.121 4.320 -0.000 0.000 0.208 67 K C 1.937 178.563 176.600 0.043 0.000 1.048 67 K CA 1.836 58.149 56.287 0.044 0.000 0.928 67 K CB -0.403 32.141 32.500 0.074 0.000 0.713 67 K HN 0.616 nan 8.250 nan 0.000 0.442 68 Y N 2.166 122.465 120.300 -0.001 0.000 2.242 68 Y HA -0.184 4.366 4.550 -0.000 0.000 0.291 68 Y C 2.260 178.116 175.900 -0.073 0.000 1.137 68 Y CA 1.516 59.604 58.100 -0.020 0.000 1.181 68 Y CB -0.353 38.122 38.460 0.025 0.000 0.989 68 Y HN -0.033 nan 8.280 nan 0.000 0.527 69 T N -0.411 114.075 114.554 -0.113 0.000 2.746 69 T HA -0.166 4.183 4.350 -0.000 0.000 0.267 69 T C 2.087 176.540 174.700 -0.412 0.000 1.039 69 T CA 1.628 63.580 62.100 -0.246 0.000 1.142 69 T CB -0.720 68.080 68.868 -0.113 0.000 0.866 69 T HN 0.185 nan 8.240 nan 0.000 0.444 70 V N 1.568 121.205 119.914 -0.463 0.000 2.287 70 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 70 V C 2.578 178.337 176.094 -0.559 0.000 1.053 70 V CA 1.978 63.798 62.300 -0.801 0.000 1.027 70 V CB -0.584 30.847 31.823 -0.653 0.000 0.646 70 V HN 0.573 nan 8.190 nan 0.000 0.447 71 E N 0.292 120.274 120.200 -0.363 0.000 2.058 71 E HA -0.300 4.050 4.350 -0.000 0.000 0.194 71 E C 2.348 178.760 176.600 -0.315 0.000 0.997 71 E CA 1.782 58.021 56.400 -0.267 0.000 0.801 71 E CB -0.116 29.477 29.700 -0.179 0.000 0.746 71 E HN 0.556 nan 8.360 nan 0.000 0.450 72 K N 0.219 120.335 120.400 -0.472 0.000 2.062 72 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 72 K C 2.362 178.812 176.600 -0.250 0.000 1.051 72 K CA 0.792 56.827 56.287 -0.420 0.000 0.941 72 K CB -0.006 32.117 32.500 -0.628 0.000 0.719 72 K HN 0.188 nan 8.250 nan 0.000 0.440 73 L N 0.921 121.988 121.223 -0.260 0.000 2.141 73 L HA -0.150 4.189 4.340 -0.000 0.000 0.209 73 L C 2.282 179.124 176.870 -0.048 0.000 1.094 73 L CA 0.735 55.497 54.840 -0.130 0.000 0.763 73 L CB -0.296 41.707 42.059 -0.094 0.000 0.908 73 L HN 0.199 nan 8.230 nan 0.000 0.437 74 L N -0.335 120.836 121.223 -0.086 0.000 2.131 74 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 74 L C 2.722 179.581 176.870 -0.018 0.000 1.092 74 L CA 1.526 56.368 54.840 0.003 0.000 0.759 74 L CB -0.408 41.643 42.059 -0.014 0.000 0.903 74 L HN 0.389 nan 8.230 nan 0.000 0.435 75 S N -0.887 114.777 115.700 -0.059 0.000 2.528 75 S HA -0.003 4.467 4.470 -0.000 0.000 0.219 75 S C 0.726 175.305 174.600 -0.036 0.000 0.985 75 S CA -0.229 57.944 58.200 -0.046 0.000 0.914 75 S CB -0.091 63.071 63.200 -0.063 0.000 0.776 75 S HN 0.140 nan 8.310 nan 0.000 0.526 76 L N 2.836 124.035 121.223 -0.040 0.000 2.312 76 L HA 0.583 4.923 4.340 -0.000 0.000 0.287 76 L C -0.214 176.648 176.870 -0.013 0.000 1.091 76 L CA 0.514 55.336 54.840 -0.030 0.000 0.846 76 L CB 0.295 42.331 42.059 -0.039 0.000 1.219 76 L HN 0.259 nan 8.230 nan 0.000 0.439 77 T N 4.255 118.802 114.554 -0.011 0.000 2.900 77 T HA 0.601 4.951 4.350 -0.000 0.000 0.303 77 T C -1.453 173.243 174.700 -0.008 0.000 1.142 77 T CA -0.514 61.583 62.100 -0.006 0.000 1.007 77 T CB 1.345 70.211 68.868 -0.003 0.000 1.156 77 T HN 0.682 nan 8.240 nan 0.000 0.490 78 E N 1.749 121.945 120.200 -0.006 0.000 2.363 78 E HA 0.299 4.649 4.350 -0.000 0.000 0.281 78 E C -1.165 175.432 176.600 -0.006 0.000 0.953 78 E CA -0.537 55.859 56.400 -0.007 0.000 0.778 78 E CB 1.195 30.888 29.700 -0.011 0.000 1.220 78 E HN 0.794 nan 8.360 nan 0.000 0.431 79 D N 2.526 122.923 120.400 -0.005 0.000 2.701 79 D HA -0.215 4.425 4.640 -0.000 0.000 0.235 79 D C 0.716 177.014 176.300 -0.003 0.000 1.155 79 D CA 1.649 55.647 54.000 -0.004 0.000 0.649 79 D CB -1.508 39.290 40.800 -0.004 0.000 1.050 79 D HN 0.973 nan 8.370 nan 0.000 0.425 80 G N -1.693 107.105 108.800 -0.002 0.000 2.180 80 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.263 80 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.263 80 G C 0.326 175.226 174.900 -0.001 0.000 0.989 80 G CA 0.459 45.558 45.100 -0.001 0.000 0.692 80 G HN 0.622 nan 8.290 nan 0.000 0.526 81 V N 1.625 121.539 119.914 -0.001 0.000 2.378 81 V HA 0.620 4.739 4.120 -0.000 0.000 0.288 81 V C 0.951 177.047 176.094 0.003 0.000 1.016 81 V CA -0.170 62.129 62.300 -0.001 0.000 0.840 81 V CB 1.405 33.226 31.823 -0.004 0.000 0.994 81 V HN 0.825 nan 8.190 nan 0.000 0.431 82 S N 3.822 119.528 115.700 0.010 0.000 0.000 82 S HA 0.105 4.575 4.470 -0.000 0.000 0.000 82 S C 0.694 175.312 174.600 0.029 0.000 0.000 82 S CA -0.276 57.936 58.200 0.021 0.000 0.000 82 S CB 0.878 64.101 63.200 0.038 0.000 0.000 82 S HN 0.693 nan 8.310 nan 0.000 0.000 83 C N 0.465 119.794 119.300 0.048 0.000 2.688 83 C HA 0.533 4.993 4.460 -0.000 0.000 0.297 83 C C -0.309 174.779 174.990 0.163 0.000 1.308 83 C CA -0.551 58.506 59.018 0.065 0.000 1.726 83 C CB -2.302 25.462 27.740 0.041 0.000 1.982 83 C HN 0.648 nan 8.230 nan 0.000 0.604 84 F N 2.065 121.987 119.950 -0.047 0.000 2.561 84 F HA 0.490 5.016 4.527 -0.000 0.000 0.313 84 F C -0.678 175.095 175.800 -0.045 0.000 1.126 84 F CA -0.851 57.117 58.000 -0.052 0.000 0.918 84 F CB 0.917 39.881 39.000 -0.061 0.000 1.199 84 F HN -0.023 nan 8.300 nan 0.000 0.444 85 N N 4.327 122.722 118.700 -0.508 0.000 2.558 85 N HA 0.148 4.888 4.740 -0.000 0.000 0.242 85 N C -1.038 174.140 175.510 -0.553 0.000 0.979 85 N CA -0.270 52.558 53.050 -0.370 0.000 0.931 85 N CB 1.152 39.480 38.487 -0.266 0.000 1.122 85 N HN 0.762 nan 8.380 nan 0.000 0.508 86 Q N 3.607 123.248 119.800 -0.266 0.000 3.181 86 Q HA 0.135 4.474 4.340 -0.000 0.000 0.293 86 Q C 0.768 176.718 176.000 -0.084 0.000 1.406 86 Q CA -0.321 55.401 55.803 -0.135 0.000 1.026 86 Q CB -0.040 28.775 28.738 0.129 0.000 1.630 86 Q HN 0.610 nan 8.270 nan 0.000 0.553 87 V N -1.000 118.827 119.914 -0.144 0.000 3.380 87 V HA 0.328 4.448 4.120 -0.000 0.000 0.268 87 V C 0.916 177.026 176.094 0.027 0.000 1.168 87 V CA 0.560 62.824 62.300 -0.060 0.000 1.156 87 V CB -1.138 30.633 31.823 -0.087 0.000 0.785 87 V HN 0.642 nan 8.190 nan 0.000 0.487 88 G N -0.881 107.932 108.800 0.021 0.000 2.757 88 G HA2 0.385 4.345 3.960 -0.000 0.000 0.638 88 G HA3 0.385 4.345 3.960 -0.000 0.000 0.638 88 G C -0.145 174.811 174.900 0.093 0.000 1.344 88 G CA -0.251 44.908 45.100 0.099 0.000 0.855 88 G HN 1.666 nan 8.290 nan 0.000 0.537 89 G N -1.543 107.371 108.800 0.190 0.000 2.667 89 G HA2 0.802 4.762 3.960 -0.000 0.000 0.298 89 G HA3 0.802 4.762 3.960 -0.000 0.000 0.298 89 G C -1.586 173.575 174.900 0.434 0.000 1.377 89 G CA -0.001 45.239 45.100 0.234 0.000 0.964 89 G HN 1.756 nan 8.290 nan 0.000 0.493 90 L N 0.491 121.976 121.223 0.435 0.000 2.409 90 L HA 0.626 4.965 4.340 -0.000 0.000 0.272 90 L C -0.583 176.432 176.870 0.241 0.000 0.980 90 L CA -0.622 54.398 54.840 0.299 0.000 0.826 90 L CB 1.934 44.093 42.059 0.168 0.000 1.268 90 L HN 0.607 nan 8.230 nan 0.000 0.407 91 E N 4.890 125.163 120.200 0.123 0.000 2.151 91 E HA 0.554 4.904 4.350 -0.000 0.000 0.275 91 E C -0.801 175.800 176.600 0.001 0.000 0.936 91 E CA -0.918 55.481 56.400 -0.002 0.000 0.777 91 E CB 2.371 31.998 29.700 -0.122 0.000 1.108 91 E HN 0.506 nan 8.360 nan 0.000 0.401 92 V N -0.576 119.338 119.914 0.000 0.000 2.612 92 V HA 0.835 4.955 4.120 -0.000 0.000 0.301 92 V C -0.085 176.022 176.094 0.021 0.000 1.046 92 V CA -0.919 61.373 62.300 -0.013 0.000 0.946 92 V CB 1.453 33.234 31.823 -0.071 0.000 1.003 92 V HN 0.706 nan 8.190 nan 0.000 0.459 93 A N 2.702 125.528 122.820 0.009 0.000 2.288 93 A HA 0.692 5.011 4.320 -0.000 0.000 0.320 93 A C 0.737 178.340 177.584 0.032 0.000 1.217 93 A CA 0.084 52.136 52.037 0.024 0.000 0.840 93 A CB 1.222 20.222 19.000 -0.000 0.000 1.179 93 A HN 1.478 nan 8.150 nan 0.000 0.504 94 T N -1.360 113.236 114.554 0.070 0.000 3.085 94 T HA 0.330 4.680 4.350 -0.000 0.000 0.264 94 T C 0.515 175.242 174.700 0.046 0.000 1.019 94 T CA 0.608 62.747 62.100 0.064 0.000 0.910 94 T CB -0.582 68.360 68.868 0.123 0.000 1.059 94 T HN 1.049 nan 8.240 nan 0.000 0.542 95 T N -1.994 112.582 114.554 0.036 0.000 2.896 95 T HA 0.491 4.841 4.350 -0.000 0.000 0.297 95 T C 0.574 175.281 174.700 0.012 0.000 1.108 95 T CA -0.834 61.281 62.100 0.025 0.000 1.004 95 T CB 2.262 71.149 68.868 0.031 0.000 1.159 95 T HN -0.037 nan 8.240 nan 0.000 0.499 96 E N 0.575 120.779 120.200 0.006 0.000 2.118 96 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 96 E C 1.836 178.430 176.600 -0.010 0.000 0.992 96 E CA 1.820 58.217 56.400 -0.006 0.000 0.804 96 E CB -0.336 29.359 29.700 -0.008 0.000 0.741 96 E HN 0.728 nan 8.360 nan 0.000 0.458 97 T N 0.667 115.224 114.554 0.006 0.000 2.708 97 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 97 T C 1.886 176.586 174.700 -0.000 0.000 1.037 97 T CA 1.556 63.665 62.100 0.014 0.000 1.146 97 T CB -0.139 68.761 68.868 0.053 0.000 0.865 97 T HN 0.011 nan 8.240 nan 0.000 0.435 98 R N 0.759 121.262 120.500 0.006 0.000 2.075 98 R HA 0.077 4.417 4.340 -0.000 0.000 0.232 98 R C 2.194 178.478 176.300 -0.026 0.000 1.126 98 R CA 0.976 57.072 56.100 -0.007 0.000 0.963 98 R CB -0.962 29.342 30.300 0.007 0.000 0.858 98 R HN 0.318 nan 8.270 nan 0.000 0.435 99 L N 0.216 121.427 121.223 -0.021 0.000 2.046 99 L HA -0.012 4.327 4.340 -0.000 0.000 0.208 99 L C 2.103 178.952 176.870 -0.036 0.000 1.077 99 L CA 2.231 57.054 54.840 -0.028 0.000 0.747 99 L CB -0.912 41.135 42.059 -0.021 0.000 0.896 99 L HN 0.262 nan 8.230 nan 0.000 0.432 100 A N -0.852 121.947 122.820 -0.035 0.000 1.883 100 A HA -0.308 4.012 4.320 -0.000 0.000 0.217 100 A C 2.112 179.711 177.584 0.025 0.000 1.186 100 A CA 2.073 54.105 52.037 -0.009 0.000 0.624 100 A CB -1.087 17.840 19.000 -0.122 0.000 0.822 100 A HN 0.567 nan 8.150 nan 0.000 0.444 101 D N -0.427 119.939 120.400 -0.057 0.000 2.218 101 D HA -0.075 4.564 4.640 -0.000 0.000 0.204 101 D C 1.798 177.976 176.300 -0.203 0.000 0.976 101 D CA 0.822 54.730 54.000 -0.152 0.000 0.853 101 D CB -0.162 40.573 40.800 -0.108 0.000 0.939 101 D HN 0.457 nan 8.370 nan 0.000 0.481 102 L N -0.046 121.096 121.223 -0.135 0.000 2.141 102 L HA -0.114 4.225 4.340 -0.000 0.000 0.209 102 L C 2.345 179.104 176.870 -0.184 0.000 1.094 102 L CA 0.930 55.689 54.840 -0.135 0.000 0.763 102 L CB -0.323 41.690 42.059 -0.078 0.000 0.908 102 L HN 0.026 nan 8.230 nan 0.000 0.437 103 K N 0.080 120.370 120.400 -0.182 0.000 2.057 103 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 103 K C 2.234 178.566 176.600 -0.446 0.000 1.049 103 K CA 1.243 57.397 56.287 -0.223 0.000 0.931 103 K CB -0.190 32.241 32.500 -0.115 0.000 0.714 103 K HN 0.161 nan 8.250 nan 0.000 0.440 104 R N 1.725 121.793 120.500 -0.720 0.000 2.105 104 R HA -0.128 4.212 4.340 -0.000 0.000 0.239 104 R C 1.831 177.538 176.300 -0.988 0.000 1.135 104 R CA 1.555 57.026 56.100 -1.049 0.000 0.967 104 R CB 0.109 29.652 30.300 -1.261 0.000 0.861 104 R HN 0.068 nan 8.270 nan 0.000 0.442 105 K N 0.138 120.148 120.400 -0.650 0.000 2.155 105 K HA -0.122 4.198 4.320 -0.000 0.000 0.203 105 K C 2.052 178.486 176.600 -0.277 0.000 1.052 105 K CA 0.961 56.983 56.287 -0.441 0.000 0.948 105 K CB -0.113 32.298 32.500 -0.149 0.000 0.728 105 K HN 0.170 nan 8.250 nan 0.000 0.448 106 L N 0.719 121.793 121.223 -0.249 0.000 2.083 106 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 106 L C 2.139 178.900 176.870 -0.182 0.000 1.083 106 L CA 1.635 56.383 54.840 -0.153 0.000 0.752 106 L CB -0.584 41.404 42.059 -0.119 0.000 0.899 106 L HN 0.175 nan 8.230 nan 0.000 0.433 107 G N -1.157 107.455 108.800 -0.313 0.000 2.446 107 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.217 107 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.217 107 G C 1.243 175.935 174.900 -0.347 0.000 1.168 107 G CA 1.107 46.022 45.100 -0.308 0.000 0.771 107 G HN 0.408 nan 8.290 nan 0.000 0.551 108 Y N 1.473 121.534 120.300 -0.397 0.000 2.128 108 Y HA -0.039 4.510 4.550 -0.000 0.000 0.284 108 Y C 3.198 178.704 175.900 -0.658 0.000 1.154 108 Y CA 0.262 57.951 58.100 -0.686 0.000 1.149 108 Y CB -1.293 36.962 38.460 -0.341 0.000 0.976 108 Y HN 0.275 nan 8.280 nan 0.000 0.505 109 A N 0.405 123.159 122.820 -0.110 0.000 1.869 109 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 109 A C 2.557 180.098 177.584 -0.071 0.000 1.203 109 A CA 2.848 54.867 52.037 -0.030 0.000 0.638 109 A CB -1.407 17.599 19.000 0.009 0.000 0.831 109 A HN 0.437 nan 8.150 nan 0.000 0.450 110 A N -0.661 122.102 122.820 -0.095 0.000 1.930 110 A HA 0.203 4.523 4.320 -0.000 0.000 0.217 110 A C 2.489 179.969 177.584 -0.173 0.000 1.175 110 A CA 2.049 54.048 52.037 -0.064 0.000 0.627 110 A CB -0.964 18.066 19.000 0.050 0.000 0.815 110 A HN 1.163 nan 8.150 nan 0.000 0.443 111 A N -1.028 121.570 122.820 -0.369 0.000 1.902 111 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 111 A C 1.834 179.349 177.584 -0.115 0.000 1.181 111 A CA 1.174 52.919 52.037 -0.487 0.000 0.623 111 A CB -0.820 17.448 19.000 -1.222 0.000 0.818 111 A HN 0.812 nan 8.150 nan 0.000 0.443 112 W N -1.214 120.060 121.300 -0.043 0.000 3.316 112 W HA 0.424 5.084 4.660 -0.000 0.000 0.327 112 W C 1.323 177.827 176.519 -0.025 0.000 1.232 112 W CA -0.045 57.259 57.345 -0.067 0.000 1.805 112 W CB 0.232 29.642 29.460 -0.083 0.000 1.090 112 W HN 0.541 nan 8.180 nan 0.000 0.654 113 G N 2.009 110.908 108.800 0.165 0.000 2.198 113 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.257 113 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.257 113 G C -0.398 174.563 174.900 0.101 0.000 1.042 113 G CA -0.375 44.791 45.100 0.110 0.000 0.791 113 G HN 0.292 nan 8.290 nan 0.000 0.502 114 I N 0.705 121.337 120.570 0.103 0.000 2.339 114 I HA 0.602 4.772 4.170 -0.000 0.000 0.290 114 I C 0.751 176.901 176.117 0.056 0.000 0.994 114 I CA -0.287 61.064 61.300 0.085 0.000 1.191 114 I CB 1.440 39.508 38.000 0.113 0.000 1.343 114 I HN 0.322 nan 8.210 nan 0.000 0.458 115 E N 4.927 125.150 120.200 0.039 0.000 2.324 115 E HA 0.605 4.955 4.350 -0.000 0.000 0.271 115 E C 0.084 176.684 176.600 -0.001 0.000 1.028 115 E CA -0.027 56.385 56.400 0.021 0.000 0.890 115 E CB 1.095 30.802 29.700 0.013 0.000 1.004 115 E HN 0.913 nan 8.360 nan 0.000 0.431 116 G N 1.181 109.982 108.800 0.002 0.000 2.660 116 G HA2 0.681 4.641 3.960 -0.000 0.000 0.290 116 G HA3 0.681 4.641 3.960 -0.000 0.000 0.290 116 G C -0.815 174.090 174.900 0.008 0.000 1.432 116 G CA -0.750 44.345 45.100 -0.009 0.000 0.807 116 G HN 0.551 nan 8.290 nan 0.000 0.485 117 R N -0.764 119.754 120.500 0.029 0.000 2.774 117 R HA 0.494 4.834 4.340 -0.000 0.000 0.272 117 R C -0.949 175.387 176.300 0.059 0.000 1.000 117 R CA -0.909 55.218 56.100 0.044 0.000 0.906 117 R CB 2.376 32.716 30.300 0.067 0.000 1.227 117 R HN 0.366 nan 8.270 nan 0.000 0.468 118 L N 3.220 124.462 121.223 0.031 0.000 2.305 118 L HA 0.437 4.777 4.340 -0.000 0.000 0.281 118 L C -0.400 176.491 176.870 0.034 0.000 1.085 118 L CA -0.460 54.394 54.840 0.023 0.000 0.813 118 L CB 0.633 42.688 42.059 -0.006 0.000 1.157 118 L HN 0.295 nan 8.230 nan 0.000 0.436 119 L N 2.489 123.734 121.223 0.037 0.000 2.317 119 L HA 0.425 4.765 4.340 -0.000 0.000 0.281 119 L C 0.611 177.486 176.870 0.009 0.000 1.024 119 L CA -0.566 54.291 54.840 0.028 0.000 0.810 119 L CB 1.870 43.947 42.059 0.029 0.000 1.240 119 L HN 0.709 nan 8.230 nan 0.000 0.427 120 S N 1.943 117.646 115.700 0.005 0.000 2.589 120 S HA 0.212 4.682 4.470 -0.000 0.000 0.265 120 S C -1.912 172.685 174.600 -0.006 0.000 1.342 120 S CA -0.927 57.272 58.200 -0.002 0.000 1.005 120 S CB 0.804 64.002 63.200 -0.002 0.000 0.909 120 S HN 0.423 nan 8.310 nan 0.000 0.555 121 P HA -0.097 nan 4.420 nan 0.000 0.215 121 P C 1.694 178.988 177.300 -0.011 0.000 1.157 121 P CA 2.102 65.194 63.100 -0.013 0.000 0.874 121 P CB -0.347 31.344 31.700 -0.015 0.000 0.790 122 A N -0.009 122.807 122.820 -0.008 0.000 1.883 122 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 122 A C 2.150 179.732 177.584 -0.003 0.000 1.186 122 A CA 1.971 54.005 52.037 -0.006 0.000 0.624 122 A CB -1.388 17.609 19.000 -0.005 0.000 0.822 122 A HN 0.205 nan 8.150 nan 0.000 0.444 123 E N -1.013 119.186 120.200 -0.002 0.000 2.153 123 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 123 E C 2.012 178.608 176.600 -0.007 0.000 0.988 123 E CA 1.078 57.478 56.400 -0.001 0.000 0.811 123 E CB -0.386 29.318 29.700 0.006 0.000 0.746 123 E HN 0.692 nan 8.360 nan 0.000 0.466 124 C N 0.817 120.113 119.300 -0.007 0.000 2.429 124 C HA -0.112 4.348 4.460 -0.000 0.000 0.277 124 C C 2.637 177.638 174.990 0.018 0.000 1.262 124 C CA 0.426 59.441 59.018 -0.005 0.000 1.733 124 C CB -0.609 27.121 27.740 -0.017 0.000 2.010 124 C HN 0.465 nan 8.230 nan 0.000 0.483 125 Q N 0.463 120.269 119.800 0.010 0.000 2.124 125 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 125 Q C 2.460 178.472 176.000 0.019 0.000 0.977 125 Q CA 2.397 58.211 55.803 0.019 0.000 0.850 125 Q CB -0.313 28.427 28.738 0.003 0.000 0.901 125 Q HN 0.872 nan 8.270 nan 0.000 0.429 126 E N 0.657 120.860 120.200 0.006 0.000 2.106 126 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 126 E C 1.794 178.389 176.600 -0.009 0.000 0.984 126 E CA 1.225 57.624 56.400 -0.002 0.000 0.806 126 E CB -0.617 29.080 29.700 -0.004 0.000 0.750 126 E HN 0.252 nan 8.360 nan 0.000 0.458 127 L N -2.176 119.042 121.223 -0.010 0.000 2.179 127 L HA 0.219 4.558 4.340 -0.000 0.000 0.208 127 L C 0.785 177.668 176.870 0.021 0.000 1.096 127 L CA 1.304 56.126 54.840 -0.030 0.000 0.779 127 L CB 0.277 42.270 42.059 -0.110 0.000 0.922 127 L HN 0.449 nan 8.230 nan 0.000 0.443 128 Y N -0.867 119.400 120.300 -0.055 0.000 2.513 128 Y HA 0.319 4.869 4.550 -0.000 0.000 0.341 128 Y C -2.009 173.871 175.900 -0.034 0.000 1.075 128 Y CA -1.727 56.354 58.100 -0.032 0.000 1.190 128 Y CB 0.763 39.206 38.460 -0.028 0.000 1.111 128 Y HN 0.051 nan 8.280 nan 0.000 0.644 129 P HA -0.177 nan 4.420 nan 0.000 0.221 129 P C 1.415 178.748 177.300 0.054 0.000 1.145 129 P CA 1.500 64.621 63.100 0.033 0.000 0.795 129 P CB 0.258 31.950 31.700 -0.013 0.000 0.775 130 L N -1.922 119.360 121.223 0.098 0.000 2.353 130 L HA -0.091 4.249 4.340 -0.000 0.000 0.220 130 L C 1.070 177.970 176.870 0.050 0.000 1.133 130 L CA 0.237 55.127 54.840 0.083 0.000 0.798 130 L CB -0.793 41.331 42.059 0.109 0.000 0.922 130 L HN 0.023 nan 8.230 nan 0.000 0.445 131 L N 1.245 122.522 121.223 0.091 0.000 2.477 131 L HA -0.022 4.318 4.340 -0.000 0.000 0.272 131 L C 0.551 177.385 176.870 -0.060 0.000 1.157 131 L CA -0.109 54.702 54.840 -0.049 0.000 0.889 131 L CB 0.103 42.120 42.059 -0.070 0.000 1.158 131 L HN 0.037 nan 8.230 nan 0.000 0.473 132 D N 3.195 123.538 120.400 -0.096 0.000 2.382 132 D HA 0.006 4.646 4.640 -0.000 0.000 0.259 132 D C 1.046 177.303 176.300 -0.073 0.000 1.224 132 D CA 0.185 54.138 54.000 -0.078 0.000 0.894 132 D CB 1.763 42.510 40.800 -0.088 0.000 1.127 132 D HN 0.683 nan 8.370 nan 0.000 0.487 133 G N 2.673 111.443 108.800 -0.051 0.000 2.572 133 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 133 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 133 G C 1.404 176.280 174.900 -0.040 0.000 1.133 133 G CA 0.933 46.007 45.100 -0.044 0.000 0.791 133 G HN 0.645 nan 8.290 nan 0.000 0.538 134 E N 1.711 121.888 120.200 -0.038 0.000 2.085 134 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 134 E C 2.032 178.617 176.600 -0.026 0.000 0.994 134 E CA 1.539 57.921 56.400 -0.029 0.000 0.801 134 E CB -0.616 29.068 29.700 -0.028 0.000 0.743 134 E HN 0.431 nan 8.360 nan 0.000 0.453 135 N N -0.106 118.575 118.700 -0.031 0.000 2.280 135 N HA 0.102 4.842 4.740 -0.000 0.000 0.192 135 N C -0.276 175.223 175.510 -0.018 0.000 1.109 135 N CA -0.096 52.944 53.050 -0.017 0.000 0.855 135 N CB 0.472 38.959 38.487 -0.000 0.000 0.974 135 N HN 0.295 nan 8.380 nan 0.000 0.482 136 I N 1.845 122.394 120.570 -0.036 0.000 2.436 136 I HA 0.024 4.194 4.170 -0.000 0.000 0.289 136 I C 1.538 177.641 176.117 -0.023 0.000 1.083 136 I CA 0.129 61.406 61.300 -0.039 0.000 1.372 136 I CB 0.411 38.378 38.000 -0.056 0.000 1.408 136 I HN -0.026 nan 8.210 nan 0.000 0.516 137 L N 5.480 126.694 121.223 -0.015 0.000 2.554 137 L HA 0.360 4.699 4.340 -0.000 0.000 0.225 137 L C 0.962 177.824 176.870 -0.014 0.000 1.104 137 L CA 0.074 54.907 54.840 -0.012 0.000 0.866 137 L CB 0.116 42.170 42.059 -0.008 0.000 1.047 137 L HN 0.829 nan 8.230 nan 0.000 0.468 138 G N -0.977 107.814 108.800 -0.015 0.000 2.328 138 G HA2 0.430 4.390 3.960 -0.000 0.000 0.299 138 G HA3 0.430 4.390 3.960 -0.000 0.000 0.299 138 G C -1.523 173.370 174.900 -0.012 0.000 1.435 138 G CA -0.111 44.982 45.100 -0.013 0.000 0.865 138 G HN 0.047 nan 8.290 nan 0.000 0.601 139 G N -1.449 107.350 108.800 -0.002 0.000 2.672 139 G HA2 0.741 4.701 3.960 -0.000 0.000 0.292 139 G HA3 0.741 4.701 3.960 -0.000 0.000 0.292 139 G C -1.877 173.041 174.900 0.030 0.000 1.375 139 G CA -0.656 44.450 45.100 0.009 0.000 0.890 139 G HN 1.501 nan 8.290 nan 0.000 0.476 140 L N 0.667 121.919 121.223 0.049 0.000 2.325 140 L HA 0.610 4.950 4.340 -0.000 0.000 0.281 140 L C -0.623 176.349 176.870 0.169 0.000 1.004 140 L CA -0.809 54.075 54.840 0.074 0.000 0.823 140 L CB 1.301 43.376 42.059 0.027 0.000 1.236 140 L HN 0.715 nan 8.230 nan 0.000 0.415 141 H N 4.857 123.962 119.070 0.058 0.000 2.539 141 H HA 0.611 5.167 4.556 -0.000 0.000 0.332 141 H C -1.594 173.786 175.328 0.086 0.000 1.031 141 H CA -0.904 55.194 56.048 0.084 0.000 1.206 141 H CB 1.660 31.464 29.762 0.071 0.000 1.446 141 H HN 0.502 nan 8.280 nan 0.000 0.496 142 V N 8.374 128.301 119.914 0.022 0.000 2.304 142 V HA 0.152 4.272 4.120 -0.000 0.000 0.278 142 V C -1.792 174.179 176.094 -0.205 0.000 1.018 142 V CA -1.461 60.785 62.300 -0.090 0.000 0.814 142 V CB 1.238 33.103 31.823 0.070 0.000 1.021 142 V HN 0.804 nan 8.190 nan 0.000 0.440 143 P HA -0.134 nan 4.420 nan 0.000 0.219 143 P C 1.587 178.866 177.300 -0.034 0.000 1.146 143 P CA 1.462 64.424 63.100 -0.229 0.000 0.808 143 P CB 0.235 31.813 31.700 -0.203 0.000 0.779 144 S N -2.888 112.810 115.700 -0.005 0.000 2.562 144 S HA 0.017 4.487 4.470 -0.000 0.000 0.221 144 S C 0.822 175.508 174.600 0.144 0.000 0.975 144 S CA -0.087 58.153 58.200 0.066 0.000 0.918 144 S CB -0.814 62.410 63.200 0.041 0.000 0.772 144 S HN 0.004 nan 8.310 nan 0.000 0.531 145 D N 1.521 121.981 120.400 0.100 0.000 2.352 145 D HA 0.607 5.246 4.640 -0.000 0.000 0.238 145 D C 0.742 177.106 176.300 0.106 0.000 1.286 145 D CA 1.237 55.299 54.000 0.103 0.000 0.923 145 D CB 0.570 41.353 40.800 -0.028 0.000 1.146 145 D HN 0.491 nan 8.370 nan 0.000 0.471 146 G N -1.327 107.467 108.800 -0.010 0.000 2.336 146 G HA2 0.315 4.275 3.960 -0.000 0.000 0.286 146 G HA3 0.315 4.275 3.960 -0.000 0.000 0.286 146 G C -1.778 172.760 174.900 -0.604 0.000 1.269 146 G CA -0.858 43.966 45.100 -0.461 0.000 0.873 146 G HN 0.351 nan 8.290 nan 0.000 0.494 147 L N 1.231 121.917 121.223 -0.895 0.000 2.287 147 L HA 0.689 5.028 4.340 -0.000 0.000 0.287 147 L C 0.781 177.373 176.870 -0.463 0.000 1.022 147 L CA -0.775 53.762 54.840 -0.506 0.000 0.814 147 L CB 1.576 43.431 42.059 -0.340 0.000 1.217 147 L HN 0.834 nan 8.230 nan 0.000 0.420 148 A N 2.321 125.125 122.820 -0.026 0.000 2.316 148 A HA 0.581 4.901 4.320 -0.000 0.000 0.284 148 A C 0.128 177.743 177.584 0.052 0.000 1.115 148 A CA -0.338 51.809 52.037 0.184 0.000 0.812 148 A CB 0.560 19.692 19.000 0.219 0.000 1.064 148 A HN 0.640 nan 8.150 nan 0.000 0.489 149 S N 1.748 117.484 115.700 0.060 0.000 2.665 149 S HA 0.400 4.870 4.470 -0.000 0.000 0.230 149 S C 1.138 175.757 174.600 0.032 0.000 1.326 149 S CA 0.004 58.222 58.200 0.029 0.000 1.055 149 S CB 0.900 64.109 63.200 0.015 0.000 1.178 149 S HN 0.977 nan 8.310 nan 0.000 0.489 150 A N 2.868 125.708 122.820 0.033 0.000 1.898 150 A HA 0.122 4.442 4.320 -0.000 0.000 0.216 150 A C 2.248 179.837 177.584 0.007 0.000 1.181 150 A CA 1.442 53.495 52.037 0.025 0.000 0.620 150 A CB -0.821 18.198 19.000 0.031 0.000 0.819 150 A HN 0.760 nan 8.150 nan 0.000 0.442 151 A N -0.183 122.638 122.820 0.002 0.000 1.933 151 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 151 A C 2.235 179.809 177.584 -0.016 0.000 1.175 151 A CA 1.815 53.846 52.037 -0.011 0.000 0.628 151 A CB -0.462 18.530 19.000 -0.012 0.000 0.814 151 A HN 0.560 nan 8.150 nan 0.000 0.444 152 R N -0.437 120.058 120.500 -0.008 0.000 2.092 152 R HA -0.029 4.310 4.340 -0.000 0.000 0.231 152 R C 2.270 178.559 176.300 -0.017 0.000 1.119 152 R CA 1.378 57.470 56.100 -0.013 0.000 0.970 152 R CB -0.410 29.888 30.300 -0.004 0.000 0.864 152 R HN 0.416 nan 8.270 nan 0.000 0.440 153 A N 0.373 123.188 122.820 -0.009 0.000 1.877 153 A HA -0.124 4.195 4.320 -0.000 0.000 0.216 153 A C 2.254 179.823 177.584 -0.025 0.000 1.186 153 A CA 1.714 53.743 52.037 -0.014 0.000 0.620 153 A CB -0.785 18.212 19.000 -0.005 0.000 0.822 153 A HN 0.213 nan 8.150 nan 0.000 0.443 154 V N 0.329 120.228 119.914 -0.025 0.000 2.278 154 V HA -0.342 3.778 4.120 -0.000 0.000 0.251 154 V C 2.771 178.820 176.094 -0.074 0.000 1.062 154 V CA 2.300 64.576 62.300 -0.040 0.000 1.038 154 V CB -0.825 30.977 31.823 -0.035 0.000 0.646 154 V HN 0.588 nan 8.190 nan 0.000 0.447 155 Q N -0.679 119.080 119.800 -0.069 0.000 2.124 155 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 155 Q C 2.198 178.144 176.000 -0.090 0.000 0.977 155 Q CA 1.438 57.186 55.803 -0.091 0.000 0.850 155 Q CB -0.326 28.372 28.738 -0.067 0.000 0.901 155 Q HN 0.578 nan 8.270 nan 0.000 0.429 156 L N -0.217 120.969 121.223 -0.062 0.000 2.270 156 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 156 L C 2.264 179.104 176.870 -0.050 0.000 1.104 156 L CA 0.307 55.117 54.840 -0.050 0.000 0.804 156 L CB -0.295 41.744 42.059 -0.032 0.000 0.937 156 L HN 0.145 nan 8.230 nan 0.000 0.450 157 L N -0.370 120.823 121.223 -0.050 0.000 2.056 157 L HA -0.196 4.143 4.340 -0.000 0.000 0.207 157 L C 2.455 179.292 176.870 -0.055 0.000 1.078 157 L CA 1.245 56.067 54.840 -0.030 0.000 0.749 157 L CB -0.334 41.720 42.059 -0.007 0.000 0.901 157 L HN 0.176 nan 8.230 nan 0.000 0.433 158 I N 0.064 120.529 120.570 -0.176 0.000 2.163 158 I HA -0.349 3.821 4.170 -0.000 0.000 0.243 158 I C 2.749 178.715 176.117 -0.252 0.000 1.085 158 I CA 1.523 62.559 61.300 -0.439 0.000 1.347 158 I CB -0.247 37.381 38.000 -0.620 0.000 1.044 158 I HN 0.247 nan 8.210 nan 0.000 0.408 159 K N 1.431 121.738 120.400 -0.155 0.000 2.026 159 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 159 K C 2.353 178.935 176.600 -0.029 0.000 1.048 159 K CA 1.816 58.054 56.287 -0.082 0.000 0.929 159 K CB -0.127 32.334 32.500 -0.064 0.000 0.713 159 K HN 0.318 nan 8.250 nan 0.000 0.439 160 R N 0.165 120.654 120.500 -0.018 0.000 2.115 160 R HA -0.055 4.285 4.340 -0.000 0.000 0.226 160 R C 2.018 178.339 176.300 0.035 0.000 1.100 160 R CA 1.727 57.831 56.100 0.007 0.000 0.980 160 R CB -0.821 29.481 30.300 0.004 0.000 0.875 160 R HN 0.252 nan 8.270 nan 0.000 0.445 161 T N -1.143 113.450 114.554 0.065 0.000 2.812 161 T HA -0.065 4.285 4.350 -0.000 0.000 0.264 161 T C 1.725 176.511 174.700 0.143 0.000 1.042 161 T CA 1.135 63.307 62.100 0.119 0.000 1.140 161 T CB -0.227 68.760 68.868 0.199 0.000 0.870 161 T HN 0.365 nan 8.240 nan 0.000 0.445 162 E N 1.170 121.470 120.200 0.166 0.000 2.114 162 E HA -0.145 4.205 4.350 -0.000 0.000 0.199 162 E C 2.440 179.084 176.600 0.074 0.000 1.008 162 E CA 1.555 58.041 56.400 0.143 0.000 0.810 162 E CB -0.218 29.533 29.700 0.085 0.000 0.739 162 E HN 0.532 nan 8.360 nan 0.000 0.456 163 S N -0.187 115.541 115.700 0.047 0.000 2.447 163 S HA -0.075 4.395 4.470 -0.000 0.000 0.233 163 S C 1.650 176.268 174.600 0.031 0.000 1.006 163 S CA 0.799 59.017 58.200 0.030 0.000 0.957 163 S CB 0.185 63.396 63.200 0.019 0.000 0.773 163 S HN 0.343 nan 8.310 nan 0.000 0.507 164 A N 0.082 122.926 122.820 0.040 0.000 2.307 164 A HA 0.572 4.891 4.320 -0.000 0.000 0.218 164 A C 1.486 179.089 177.584 0.032 0.000 1.228 164 A CA 0.569 52.627 52.037 0.035 0.000 0.857 164 A CB -0.430 18.593 19.000 0.039 0.000 0.897 164 A HN 0.718 nan 8.150 nan 0.000 0.495 165 G N -1.718 107.103 108.800 0.035 0.000 2.184 165 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.206 165 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.206 165 G C 0.149 175.058 174.900 0.016 0.000 0.995 165 G CA -0.047 45.066 45.100 0.021 0.000 0.651 165 G HN 0.647 nan 8.290 nan 0.000 0.511 166 V N 2.029 121.964 119.914 0.035 0.000 2.614 166 V HA 0.489 4.608 4.120 -0.000 0.000 0.291 166 V C 0.887 176.969 176.094 -0.021 0.000 1.049 166 V CA 0.614 62.905 62.300 -0.015 0.000 1.038 166 V CB 1.433 33.255 31.823 -0.002 0.000 0.980 166 V HN 0.298 nan 8.190 nan 0.000 0.481 167 T N 5.415 119.894 114.554 -0.124 0.000 2.767 167 T HA 0.493 4.842 4.350 -0.000 0.000 0.288 167 T C -0.781 173.767 174.700 -0.253 0.000 0.963 167 T CA 0.019 62.064 62.100 -0.092 0.000 1.019 167 T CB 0.267 69.091 68.868 -0.074 0.000 0.923 167 T HN 0.429 nan 8.240 nan 0.000 0.468 168 Y N 2.317 122.605 120.300 -0.019 0.000 2.331 168 Y HA 0.476 5.025 4.550 -0.000 0.000 0.338 168 Y C 0.855 176.740 175.900 -0.025 0.000 0.992 168 Y CA -0.917 57.168 58.100 -0.024 0.000 1.121 168 Y CB 1.239 39.684 38.460 -0.024 0.000 1.184 168 Y HN 0.367 nan 8.280 nan 0.000 0.469 169 R N 2.496 123.035 120.500 0.066 0.000 2.358 169 R HA 0.440 4.780 4.340 -0.000 0.000 0.309 169 R C 0.248 176.569 176.300 0.036 0.000 1.026 169 R CA -0.597 55.526 56.100 0.038 0.000 0.909 169 R CB 1.258 31.556 30.300 -0.004 0.000 1.153 169 R HN 0.860 nan 8.270 nan 0.000 0.515 170 G N 0.014 108.839 108.800 0.043 0.000 2.580 170 G HA2 0.205 4.165 3.960 -0.000 0.000 0.278 170 G HA3 0.205 4.165 3.960 -0.000 0.000 0.278 170 G C 0.108 175.006 174.900 -0.002 0.000 1.212 170 G CA -0.432 44.677 45.100 0.016 0.000 0.939 170 G HN 0.559 nan 8.290 nan 0.000 0.513 171 S N -1.712 113.980 115.700 -0.014 0.000 3.533 171 S HA -0.180 4.290 4.470 -0.000 0.000 0.347 171 S C 0.317 174.906 174.600 -0.018 0.000 1.101 171 S CA 1.151 59.344 58.200 -0.011 0.000 1.009 171 S CB -1.817 61.386 63.200 0.004 0.000 0.916 171 S HN 0.968 nan 8.310 nan 0.000 0.496 172 T N 2.159 116.693 114.554 -0.034 0.000 2.864 172 T HA 0.433 4.783 4.350 -0.000 0.000 0.299 172 T C -0.010 174.654 174.700 -0.059 0.000 1.011 172 T CA -0.435 61.643 62.100 -0.036 0.000 0.975 172 T CB 1.632 70.483 68.868 -0.028 0.000 0.962 172 T HN 0.134 nan 8.240 nan 0.000 0.448 173 T N 3.178 117.701 114.554 -0.052 0.000 2.744 173 T HA 0.356 4.705 4.350 -0.000 0.000 0.291 173 T C 0.542 175.212 174.700 -0.049 0.000 0.957 173 T CA -0.467 61.592 62.100 -0.068 0.000 1.002 173 T CB 0.778 69.617 68.868 -0.049 0.000 0.919 173 T HN 0.332 nan 8.240 nan 0.000 0.468 174 V N 4.787 124.665 119.914 -0.060 0.000 2.508 174 V HA 0.172 4.292 4.120 -0.000 0.000 0.281 174 V C 1.584 177.670 176.094 -0.013 0.000 1.041 174 V CA 0.275 62.558 62.300 -0.027 0.000 1.016 174 V CB 0.824 32.637 31.823 -0.017 0.000 0.984 174 V HN 1.159 nan 8.190 nan 0.000 0.478 175 T N 0.617 115.171 114.554 0.001 0.000 3.010 175 T HA 0.519 4.869 4.350 -0.000 0.000 0.257 175 T C 0.551 175.260 174.700 0.015 0.000 1.020 175 T CA 0.356 62.462 62.100 0.009 0.000 0.938 175 T CB 0.618 69.490 68.868 0.007 0.000 1.049 175 T HN 1.032 nan 8.240 nan 0.000 0.522 176 G N 0.720 109.531 108.800 0.019 0.000 2.441 176 G HA2 0.537 4.497 3.960 -0.000 0.000 0.294 176 G HA3 0.537 4.497 3.960 -0.000 0.000 0.294 176 G C -2.265 172.654 174.900 0.032 0.000 1.393 176 G CA -0.859 44.251 45.100 0.017 0.000 0.796 176 G HN 0.172 nan 8.290 nan 0.000 0.494 177 I N 0.430 121.012 120.570 0.019 0.000 2.533 177 I HA 0.668 4.838 4.170 -0.000 0.000 0.290 177 I C 0.307 176.433 176.117 0.015 0.000 1.056 177 I CA -0.900 60.424 61.300 0.041 0.000 1.057 177 I CB 0.994 39.007 38.000 0.021 0.000 1.240 177 I HN 0.910 nan 8.210 nan 0.000 0.423 178 E N 5.770 125.989 120.200 0.032 0.000 2.204 178 E HA 0.682 5.032 4.350 -0.000 0.000 0.276 178 E C -0.573 176.040 176.600 0.022 0.000 0.974 178 E CA -0.721 55.690 56.400 0.018 0.000 0.815 178 E CB 1.815 31.526 29.700 0.018 0.000 1.119 178 E HN 0.632 nan 8.360 nan 0.000 0.393 179 Q N -1.123 118.682 119.800 0.008 0.000 2.511 179 Q HA 0.774 5.114 4.340 -0.000 0.000 0.289 179 Q C -0.822 175.181 176.000 0.005 0.000 1.021 179 Q CA -1.006 54.803 55.803 0.011 0.000 0.785 179 Q CB 2.090 30.826 28.738 -0.003 0.000 1.472 179 Q HN 0.536 nan 8.270 nan 0.000 0.411 180 S N -0.625 115.081 115.700 0.009 0.000 2.592 180 S HA 0.563 5.033 4.470 -0.000 0.000 0.275 180 S C 0.059 174.664 174.600 0.008 0.000 1.169 180 S CA 0.359 58.562 58.200 0.005 0.000 0.958 180 S CB 1.113 64.315 63.200 0.004 0.000 1.095 180 S HN 1.648 nan 8.310 nan 0.000 0.471 181 G N 2.691 111.494 108.800 0.005 0.000 2.249 181 G HA2 0.047 4.006 3.960 -0.000 0.000 0.273 181 G HA3 0.047 4.006 3.960 -0.000 0.000 0.273 181 G C 1.377 176.289 174.900 0.020 0.000 1.036 181 G CA 0.977 46.082 45.100 0.009 0.000 0.824 181 G HN 2.318 nan 8.290 nan 0.000 0.504 182 G N -2.382 106.427 108.800 0.016 0.000 2.148 182 G HA2 0.110 4.070 3.960 -0.000 0.000 0.254 182 G HA3 0.110 4.070 3.960 -0.000 0.000 0.254 182 G C 0.376 175.301 174.900 0.042 0.000 0.981 182 G CA 1.548 46.663 45.100 0.025 0.000 0.670 182 G HN 2.360 nan 8.290 nan 0.000 0.528 183 R N -1.736 118.788 120.500 0.040 0.000 2.803 183 R HA 0.860 5.200 4.340 -0.000 0.000 0.276 183 R C 0.118 176.454 176.300 0.059 0.000 0.978 183 R CA -0.245 55.889 56.100 0.057 0.000 0.939 183 R CB 1.464 31.797 30.300 0.055 0.000 1.179 183 R HN 1.299 nan 8.270 nan 0.000 0.472 184 V N 1.635 121.606 119.914 0.095 0.000 2.715 184 V HA 0.318 4.438 4.120 -0.000 0.000 0.299 184 V C 1.020 177.161 176.094 0.080 0.000 1.054 184 V CA 1.346 63.715 62.300 0.115 0.000 1.077 184 V CB 1.470 33.422 31.823 0.214 0.000 0.972 184 V HN 1.245 nan 8.190 nan 0.000 0.484 185 T N 1.968 116.559 114.554 0.061 0.000 2.986 185 T HA 0.552 4.901 4.350 -0.000 0.000 0.264 185 T C 0.445 175.166 174.700 0.036 0.000 0.964 185 T CA 0.372 62.496 62.100 0.040 0.000 0.895 185 T CB 0.404 69.285 68.868 0.023 0.000 1.163 185 T HN 1.377 nan 8.240 nan 0.000 0.517 186 G N 0.274 109.104 108.800 0.050 0.000 2.451 186 G HA2 0.503 4.463 3.960 -0.000 0.000 0.292 186 G HA3 0.503 4.463 3.960 -0.000 0.000 0.292 186 G C -2.220 172.713 174.900 0.055 0.000 1.427 186 G CA -0.537 44.588 45.100 0.041 0.000 0.792 186 G HN 0.254 nan 8.290 nan 0.000 0.498 187 V N 0.768 120.706 119.914 0.040 0.000 2.448 187 V HA 0.446 4.566 4.120 -0.000 0.000 0.295 187 V C -0.094 176.014 176.094 0.023 0.000 1.025 187 V CA -0.677 61.650 62.300 0.045 0.000 0.859 187 V CB 1.454 33.299 31.823 0.037 0.000 0.988 187 V HN 0.745 nan 8.190 nan 0.000 0.431 188 Q N 2.691 122.505 119.800 0.023 0.000 2.267 188 Q HA 0.577 4.916 4.340 -0.000 0.000 0.255 188 Q C 0.168 176.171 176.000 0.005 0.000 0.923 188 Q CA -0.324 55.486 55.803 0.011 0.000 0.925 188 Q CB 1.589 30.333 28.738 0.010 0.000 1.195 188 Q HN 0.925 nan 8.270 nan 0.000 0.417 189 T N -2.334 112.220 114.554 -0.000 0.000 2.907 189 T HA 0.590 4.939 4.350 -0.000 0.000 0.290 189 T C 0.699 175.398 174.700 -0.002 0.000 1.066 189 T CA -0.377 61.721 62.100 -0.004 0.000 1.012 189 T CB 1.394 70.256 68.868 -0.010 0.000 1.184 189 T HN 0.499 nan 8.240 nan 0.000 0.522 190 A N -0.046 122.773 122.820 -0.002 0.000 2.125 190 A HA 0.061 4.381 4.320 -0.000 0.000 0.219 190 A C 1.246 178.830 177.584 -0.001 0.000 1.156 190 A CA 1.122 53.160 52.037 0.000 0.000 0.671 190 A CB -0.820 18.181 19.000 0.002 0.000 0.794 190 A HN 0.792 nan 8.150 nan 0.000 0.459 191 D N 0.056 120.455 120.400 -0.003 0.000 2.881 191 D HA 0.416 5.056 4.640 -0.000 0.000 0.240 191 D C 1.044 177.342 176.300 -0.004 0.000 1.249 191 D CA 1.184 55.182 54.000 -0.003 0.000 0.839 191 D CB -0.472 40.325 40.800 -0.005 0.000 1.042 191 D HN 0.570 nan 8.370 nan 0.000 0.475 192 G N -0.554 108.245 108.800 -0.002 0.000 2.877 192 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.279 192 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.279 192 G C -0.070 174.828 174.900 -0.002 0.000 1.431 192 G CA -0.568 44.531 45.100 -0.002 0.000 0.883 192 G HN 0.196 nan 8.290 nan 0.000 0.547 193 V N 0.711 120.624 119.914 -0.002 0.000 2.583 193 V HA 0.451 4.571 4.120 -0.000 0.000 0.287 193 V C 1.095 177.187 176.094 -0.003 0.000 1.051 193 V CA -0.115 62.185 62.300 0.000 0.000 1.010 193 V CB 1.376 33.201 31.823 0.003 0.000 0.988 193 V HN 0.588 nan 8.190 nan 0.000 0.478 194 I N 7.318 127.886 120.570 -0.003 0.000 2.306 194 I HA 0.305 4.475 4.170 -0.000 0.000 0.288 194 I C -2.023 174.091 176.117 -0.005 0.000 1.036 194 I CA -1.913 59.382 61.300 -0.009 0.000 1.221 194 I CB 1.660 39.650 38.000 -0.015 0.000 1.385 194 I HN 0.437 nan 8.210 nan 0.000 0.472 195 P HA 0.141 nan 4.420 nan 0.000 0.267 195 P C -0.767 176.530 177.300 -0.005 0.000 1.200 195 P CA -0.013 63.084 63.100 -0.005 0.000 0.772 195 P CB 1.164 32.856 31.700 -0.012 0.000 0.855 196 A N 2.005 124.829 122.820 0.007 0.000 2.566 196 A HA 0.391 4.710 4.320 -0.000 0.000 0.297 196 A C 0.355 177.953 177.584 0.023 0.000 1.059 196 A CA -0.569 51.474 52.037 0.010 0.000 0.691 196 A CB 0.944 19.958 19.000 0.024 0.000 1.282 196 A HN 0.412 nan 8.150 nan 0.000 0.401 197 D N 0.508 120.917 120.400 0.016 0.000 2.240 197 D HA 0.158 4.798 4.640 -0.000 0.000 0.206 197 D C 0.125 176.478 176.300 0.088 0.000 0.963 197 D CA 1.419 55.440 54.000 0.034 0.000 0.863 197 D CB 0.473 41.273 40.800 0.001 0.000 0.973 197 D HN 0.513 nan 8.370 nan 0.000 0.501 198 I N 1.095 121.717 120.570 0.088 0.000 2.534 198 I HA 0.180 4.349 4.170 -0.000 0.000 0.288 198 I C -1.014 175.144 176.117 0.069 0.000 1.077 198 I CA -0.733 60.650 61.300 0.138 0.000 1.051 198 I CB 3.083 41.167 38.000 0.141 0.000 1.234 198 I HN -0.391 nan 8.210 nan 0.000 0.425 199 V N 6.843 126.789 119.914 0.054 0.000 2.448 199 V HA 0.449 4.569 4.120 -0.000 0.000 0.295 199 V C -0.273 175.652 176.094 -0.282 0.000 1.025 199 V CA -0.726 61.504 62.300 -0.116 0.000 0.859 199 V CB 2.041 33.799 31.823 -0.108 0.000 0.988 199 V HN 0.384 nan 8.190 nan 0.000 0.431 200 V N 3.310 123.078 119.914 -0.245 0.000 2.350 200 V HA 0.329 4.449 4.120 -0.000 0.000 0.285 200 V C 0.454 176.397 176.094 -0.252 0.000 1.014 200 V CA -0.349 61.805 62.300 -0.243 0.000 0.831 200 V CB 1.625 33.355 31.823 -0.155 0.000 1.000 200 V HN 0.868 nan 8.190 nan 0.000 0.433 201 S N 3.855 119.361 115.700 -0.323 0.000 2.429 201 S HA 0.117 4.586 4.470 -0.000 0.000 0.292 201 S C 0.335 174.907 174.600 -0.047 0.000 1.183 201 S CA -0.366 57.754 58.200 -0.132 0.000 1.088 201 S CB -0.355 62.842 63.200 -0.005 0.000 1.018 201 S HN 0.867 nan 8.310 nan 0.000 0.511 202 C N 5.217 124.492 119.300 -0.042 0.000 2.641 202 C HA 0.525 4.985 4.460 -0.000 0.000 0.294 202 C C 1.477 176.463 174.990 -0.006 0.000 1.496 202 C CA -0.732 58.275 59.018 -0.019 0.000 1.672 202 C CB -1.422 26.299 27.740 -0.032 0.000 2.763 202 C HN 0.928 nan 8.230 nan 0.000 0.545 203 A N 0.397 123.230 122.820 0.022 0.000 2.462 203 A HA 0.553 4.873 4.320 -0.000 0.000 0.261 203 A C 1.507 179.156 177.584 0.107 0.000 1.323 203 A CA 0.770 52.827 52.037 0.033 0.000 0.913 203 A CB -0.614 18.412 19.000 0.044 0.000 1.028 203 A HN 1.020 nan 8.150 nan 0.000 0.511 204 G N 0.786 109.628 108.800 0.071 0.000 2.672 204 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.324 204 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.324 204 G C 0.708 175.646 174.900 0.064 0.000 1.286 204 G CA 1.176 46.313 45.100 0.062 0.000 1.004 204 G HN 1.366 nan 8.290 nan 0.000 0.548 205 F N -1.769 118.215 119.950 0.055 0.000 2.748 205 F HA 0.376 4.903 4.527 -0.000 0.000 0.299 205 F C 1.920 177.638 175.800 -0.137 0.000 1.154 205 F CA 0.331 58.255 58.000 -0.126 0.000 1.446 205 F CB -0.306 38.525 39.000 -0.282 0.000 1.112 205 F HN 0.363 nan 8.300 nan 0.000 0.584 206 W N 1.887 123.073 121.300 -0.189 0.000 3.077 206 W HA 0.209 4.869 4.660 -0.000 0.000 0.245 206 W C 2.093 178.612 176.519 0.001 0.000 1.316 206 W CA 0.586 57.894 57.345 -0.062 0.000 1.537 206 W CB -0.799 28.557 29.460 -0.174 0.000 1.131 206 W HN 0.307 nan 8.180 nan 0.000 0.695 207 G N 1.476 110.395 108.800 0.199 0.000 2.547 207 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.221 207 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.221 207 G C 1.749 176.732 174.900 0.139 0.000 1.140 207 G CA 1.778 46.970 45.100 0.153 0.000 0.760 207 G HN 0.264 nan 8.290 nan 0.000 0.583 208 A N 0.309 123.199 122.820 0.116 0.000 1.929 208 A HA 0.110 4.430 4.320 -0.000 0.000 0.216 208 A C 2.204 179.843 177.584 0.091 0.000 1.176 208 A CA 1.961 54.048 52.037 0.082 0.000 0.628 208 A CB -0.352 18.678 19.000 0.051 0.000 0.816 208 A HN 0.416 nan 8.150 nan 0.000 0.444 209 K N -0.268 120.209 120.400 0.130 0.000 2.097 209 K HA -0.109 4.210 4.320 -0.000 0.000 0.206 209 K C 1.679 178.350 176.600 0.118 0.000 1.049 209 K CA 1.427 57.794 56.287 0.134 0.000 0.933 209 K CB -0.204 32.420 32.500 0.206 0.000 0.717 209 K HN 0.344 nan 8.250 nan 0.000 0.442 210 I N 1.171 121.828 120.570 0.145 0.000 2.252 210 I HA -0.131 4.039 4.170 -0.000 0.000 0.245 210 I C 2.493 178.672 176.117 0.104 0.000 1.102 210 I CA 1.528 62.913 61.300 0.142 0.000 1.385 210 I CB -1.630 36.485 38.000 0.192 0.000 1.064 210 I HN 0.361 nan 8.210 nan 0.000 0.414 211 G N 0.684 109.542 108.800 0.098 0.000 2.422 211 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 211 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 211 G C 1.779 176.658 174.900 -0.035 0.000 1.146 211 G CA 0.817 45.938 45.100 0.034 0.000 0.769 211 G HN 0.480 nan 8.290 nan 0.000 0.547 212 A N 0.414 123.232 122.820 -0.003 0.000 2.125 212 A HA 0.125 4.444 4.320 -0.000 0.000 0.219 212 A C 2.325 179.884 177.584 -0.041 0.000 1.156 212 A CA 1.339 53.365 52.037 -0.019 0.000 0.671 212 A CB -0.340 18.663 19.000 0.005 0.000 0.794 212 A HN 0.422 nan 8.150 nan 0.000 0.459 213 M N -0.637 118.934 119.600 -0.049 0.000 2.476 213 M HA 0.051 4.531 4.480 -0.000 0.000 0.262 213 M C 1.433 177.660 176.300 -0.121 0.000 1.079 213 M CA 1.147 56.411 55.300 -0.060 0.000 1.104 213 M CB -0.181 32.400 32.600 -0.032 0.000 1.409 213 M HN 0.680 nan 8.290 nan 0.000 0.467 214 I N -4.461 115.991 120.570 -0.197 0.000 4.050 214 I HA 0.523 4.692 4.170 -0.000 0.000 0.327 214 I C 0.763 176.781 176.117 -0.164 0.000 1.473 214 I CA -0.085 61.074 61.300 -0.235 0.000 1.124 214 I CB 0.159 37.889 38.000 -0.452 0.000 1.129 214 I HN 0.281 nan 8.210 nan 0.000 0.428 215 G N 2.426 111.159 108.800 -0.113 0.000 2.147 215 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.244 215 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.244 215 G C -0.003 174.855 174.900 -0.070 0.000 1.005 215 G CA 0.514 45.568 45.100 -0.077 0.000 0.713 215 G HN 0.622 nan 8.290 nan 0.000 0.515 216 M N 0.831 120.383 119.600 -0.080 0.000 2.205 216 M HA 0.757 5.237 4.480 -0.000 0.000 0.344 216 M C 0.362 176.651 176.300 -0.019 0.000 1.085 216 M CA -0.461 54.809 55.300 -0.051 0.000 1.001 216 M CB 1.454 34.014 32.600 -0.066 0.000 1.626 216 M HN 0.735 nan 8.290 nan 0.000 0.442 217 A N 5.043 127.856 122.820 -0.011 0.000 2.396 217 A HA 0.522 4.842 4.320 -0.000 0.000 0.279 217 A C -0.712 176.871 177.584 -0.001 0.000 1.165 217 A CA -0.473 51.556 52.037 -0.013 0.000 0.824 217 A CB -0.034 18.949 19.000 -0.027 0.000 1.100 217 A HN 0.695 nan 8.150 nan 0.000 0.516 218 V N 6.666 126.583 119.914 0.004 0.000 2.293 218 V HA 0.284 4.403 4.120 -0.000 0.000 0.275 218 V C -1.949 174.127 176.094 -0.029 0.000 1.021 218 V CA -1.150 61.162 62.300 0.020 0.000 0.815 218 V CB 1.567 33.429 31.823 0.065 0.000 1.025 218 V HN 0.845 nan 8.190 nan 0.000 0.448 219 P HA 0.209 nan 4.420 nan 0.000 0.226 219 P C -0.810 176.424 177.300 -0.109 0.000 1.783 219 P CA -0.130 62.853 63.100 -0.195 0.000 0.980 219 P CB -0.062 31.308 31.700 -0.551 0.000 1.967 220 L N -0.323 120.878 121.223 -0.037 0.000 2.323 220 L HA 0.828 5.167 4.340 -0.000 0.000 0.265 220 L C -0.956 175.904 176.870 -0.017 0.000 1.012 220 L CA -1.384 53.450 54.840 -0.011 0.000 0.820 220 L CB 1.240 43.302 42.059 0.005 0.000 1.334 220 L HN -0.156 nan 8.230 nan 0.000 0.427 221 L N 2.349 123.557 121.223 -0.025 0.000 2.356 221 L HA 0.793 5.133 4.340 -0.000 0.000 0.277 221 L C -2.596 174.207 176.870 -0.111 0.000 0.996 221 L CA -1.870 52.937 54.840 -0.056 0.000 0.822 221 L CB 1.853 43.878 42.059 -0.056 0.000 1.256 221 L HN 0.499 nan 8.230 nan 0.000 0.413 222 P HA 0.322 nan 4.420 nan 0.000 0.276 222 P C -1.250 175.876 177.300 -0.290 0.000 1.235 222 P CA 0.089 63.025 63.100 -0.274 0.000 0.772 222 P CB 0.616 32.101 31.700 -0.358 0.000 0.871 223 L N 1.794 122.814 121.223 -0.339 0.000 2.422 223 L HA 0.718 5.057 4.340 -0.000 0.000 0.264 223 L C -0.039 176.795 176.870 -0.059 0.000 0.984 223 L CA -1.175 53.516 54.840 -0.247 0.000 0.819 223 L CB 2.361 44.263 42.059 -0.262 0.000 1.330 223 L HN 0.295 nan 8.230 nan 0.000 0.410 224 A N 1.384 124.203 122.820 -0.002 0.000 2.303 224 A HA 0.594 4.914 4.320 -0.000 0.000 0.317 224 A C -1.022 176.820 177.584 0.431 0.000 1.149 224 A CA -0.262 51.876 52.037 0.169 0.000 0.822 224 A CB 0.689 19.702 19.000 0.020 0.000 1.131 224 A HN 0.877 nan 8.150 nan 0.000 0.493 225 H N 1.680 120.983 119.070 0.388 0.000 2.856 225 H HA 0.322 4.878 4.556 -0.000 0.000 0.355 225 H C -1.141 174.312 175.328 0.209 0.000 1.079 225 H CA -0.532 55.839 56.048 0.538 0.000 1.240 225 H CB 1.111 31.239 29.762 0.610 0.000 1.701 225 H HN 0.764 nan 8.280 nan 0.000 0.527 226 Q N 3.510 123.394 119.800 0.140 0.000 2.288 226 Q HA 0.137 4.476 4.340 -0.000 0.000 0.254 226 Q C -1.437 174.244 176.000 -0.532 0.000 0.932 226 Q CA -0.342 55.342 55.803 -0.198 0.000 0.902 226 Q CB 1.828 30.623 28.738 0.097 0.000 1.203 226 Q HN 0.458 nan 8.270 nan 0.000 0.415 227 Y N 1.416 121.145 120.300 -0.952 0.000 2.421 227 Y HA 0.468 5.017 4.550 -0.000 0.000 0.339 227 Y C -1.505 173.876 175.900 -0.865 0.000 0.996 227 Y CA -0.760 56.804 58.100 -0.894 0.000 1.046 227 Y CB 1.355 39.244 38.460 -0.951 0.000 1.226 227 Y HN 0.398 nan 8.280 nan 0.000 0.445 228 V N 6.397 125.598 119.914 -1.188 0.000 2.656 228 V HA 0.481 4.600 4.120 -0.000 0.000 0.307 228 V C -1.004 174.674 176.094 -0.694 0.000 1.051 228 V CA -1.137 60.581 62.300 -0.971 0.000 0.893 228 V CB 2.164 33.286 31.823 -1.167 0.000 0.999 228 V HN 0.664 nan 8.190 nan 0.000 0.426 229 K N 2.299 122.441 120.400 -0.430 0.000 2.182 229 K HA 0.602 4.922 4.320 -0.000 0.000 0.262 229 K C 0.141 176.668 176.600 -0.122 0.000 0.957 229 K CA -0.534 55.627 56.287 -0.211 0.000 0.842 229 K CB 2.030 34.428 32.500 -0.169 0.000 1.099 229 K HN 0.880 nan 8.250 nan 0.000 0.438 230 T N -1.306 113.273 114.554 0.041 0.000 2.770 230 T HA 0.160 4.510 4.350 -0.000 0.000 0.281 230 T C 0.836 175.573 174.700 0.063 0.000 0.981 230 T CA -0.752 61.399 62.100 0.085 0.000 0.955 230 T CB 0.690 69.722 68.868 0.272 0.000 1.060 230 T HN 0.627 nan 8.240 nan 0.000 0.531 231 T N -1.235 113.362 114.554 0.071 0.000 2.754 231 T HA 0.389 4.738 4.350 -0.000 0.000 0.286 231 T C -2.669 172.096 174.700 0.109 0.000 0.997 231 T CA -1.562 60.579 62.100 0.068 0.000 0.982 231 T CB -0.697 68.204 68.868 0.055 0.000 1.027 231 T HN 0.441 nan 8.240 nan 0.000 0.529 232 P HA 0.167 nan 4.420 nan 0.000 0.261 232 P C -0.767 176.601 177.300 0.113 0.000 1.183 232 P CA -0.123 63.036 63.100 0.100 0.000 0.761 232 P CB 0.217 31.959 31.700 0.071 0.000 0.785 233 V N 8.228 128.226 119.914 0.140 0.000 2.408 233 V HA 0.087 4.207 4.120 -0.000 0.000 0.267 233 V C -1.213 174.937 176.094 0.093 0.000 1.047 233 V CA -1.212 61.168 62.300 0.134 0.000 0.937 233 V CB 1.041 32.978 31.823 0.189 0.000 0.999 233 V HN 0.548 nan 8.190 nan 0.000 0.472 234 P HA -0.237 nan 4.420 nan 0.000 0.215 234 P C 1.608 178.934 177.300 0.043 0.000 1.163 234 P CA 2.014 65.143 63.100 0.049 0.000 0.894 234 P CB 0.191 31.914 31.700 0.038 0.000 0.791 235 A N -0.694 122.150 122.820 0.039 0.000 2.076 235 A HA -0.229 4.090 4.320 -0.000 0.000 0.220 235 A C 2.028 179.638 177.584 0.043 0.000 1.160 235 A CA 1.501 53.556 52.037 0.031 0.000 0.653 235 A CB -0.946 18.065 19.000 0.019 0.000 0.801 235 A HN 0.194 nan 8.150 nan 0.000 0.455 236 Q N -0.607 119.235 119.800 0.069 0.000 2.360 236 Q HA 0.050 4.390 4.340 -0.000 0.000 0.202 236 Q C 0.534 176.564 176.000 0.050 0.000 0.915 236 Q CA -0.005 55.843 55.803 0.074 0.000 0.943 236 Q CB 0.036 28.850 28.738 0.127 0.000 1.064 236 Q HN 0.855 nan 8.270 nan 0.000 0.511 237 Q N -0.094 119.732 119.800 0.043 0.000 2.263 237 Q HA 0.165 4.505 4.340 -0.000 0.000 0.289 237 Q C 0.630 176.643 176.000 0.022 0.000 1.061 237 Q CA 1.088 56.911 55.803 0.033 0.000 0.927 237 Q CB 0.136 28.892 28.738 0.030 0.000 1.154 237 Q HN 0.506 nan 8.270 nan 0.000 0.378 238 G N 3.821 112.632 108.800 0.019 0.000 2.179 238 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 238 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 238 G C 0.790 175.693 174.900 0.005 0.000 0.977 238 G CA 0.529 45.636 45.100 0.011 0.000 0.641 238 G HN 0.728 nan 8.290 nan 0.000 0.533 239 R N -0.187 120.315 120.500 0.004 0.000 2.090 239 R HA 0.117 4.457 4.340 -0.000 0.000 0.219 239 R C 0.446 176.737 176.300 -0.015 0.000 1.100 239 R CA 0.865 56.961 56.100 -0.007 0.000 0.991 239 R CB -0.064 30.231 30.300 -0.009 0.000 0.893 239 R HN 0.391 nan 8.270 nan 0.000 0.443 240 N N 0.757 119.450 118.700 -0.012 0.000 2.430 240 N HA 0.143 4.883 4.740 -0.000 0.000 0.298 240 N C -0.828 174.677 175.510 -0.009 0.000 1.130 240 N CA -0.077 52.961 53.050 -0.020 0.000 0.894 240 N CB 0.712 39.179 38.487 -0.033 0.000 1.209 240 N HN 0.163 nan 8.380 nan 0.000 0.503 241 D N -0.392 120.001 120.400 -0.013 0.000 2.488 241 D HA 0.410 5.050 4.640 -0.000 0.000 0.238 241 D C 0.595 176.897 176.300 0.003 0.000 1.138 241 D CA 0.290 54.287 54.000 -0.005 0.000 0.873 241 D CB -0.195 nan 40.800 nan 0.000 1.183 241 D HN 0.649 nan 8.370 nan 0.000 0.458 242 Q N 0.907 120.713 119.800 0.011 0.000 2.221 242 Q HA 0.605 4.945 4.340 -0.000 0.000 0.242 242 Q C -1.256 174.757 176.000 0.022 0.000 0.940 242 Q CA -0.457 55.359 55.803 0.022 0.000 0.896 242 Q CB 0.562 29.315 28.738 0.024 0.000 1.226 242 Q HN 0.710 nan 8.270 nan 0.000 0.463 243 P HA 0.156 nan 4.420 nan 0.000 0.264 243 P C -0.507 176.837 177.300 0.073 0.000 1.259 243 P CA 0.241 63.371 63.100 0.049 0.000 0.841 243 P CB 0.858 32.588 31.700 0.050 0.000 1.232 244 N N 0.144 118.879 118.700 0.059 0.000 2.377 244 N HA 0.156 4.895 4.740 -0.000 0.000 0.259 244 N C 0.535 176.044 175.510 -0.002 0.000 1.332 244 N CA -0.001 53.094 53.050 0.074 0.000 0.877 244 N CB 1.195 39.744 38.487 0.102 0.000 1.299 244 N HN 0.080 nan 8.380 nan 0.000 0.501 245 G N 0.266 109.057 108.800 -0.014 0.000 2.636 245 G HA2 0.547 4.506 3.960 -0.000 0.000 0.246 245 G HA3 0.547 4.506 3.960 -0.000 0.000 0.246 245 G C -0.549 174.298 174.900 -0.088 0.000 1.216 245 G CA -0.081 44.990 45.100 -0.048 0.000 0.854 245 G HN 0.195 nan 8.290 nan 0.000 0.572 246 A N 0.445 123.202 122.820 -0.105 0.000 2.547 246 A HA 0.693 5.013 4.320 -0.000 0.000 0.297 246 A C 0.273 177.790 177.584 -0.110 0.000 1.056 246 A CA -0.663 51.294 52.037 -0.132 0.000 0.688 246 A CB 1.805 20.704 19.000 -0.168 0.000 1.282 246 A HN 0.661 nan 8.150 nan 0.000 0.400 247 R N 0.690 121.124 120.500 -0.109 0.000 2.470 247 R HA 0.380 4.720 4.340 -0.000 0.000 0.210 247 R C 0.506 176.750 176.300 -0.094 0.000 0.873 247 R CA 0.427 56.472 56.100 -0.091 0.000 1.015 247 R CB -0.258 29.994 30.300 -0.080 0.000 1.348 247 R HN 0.697 nan 8.270 nan 0.000 0.650 248 L N 2.781 123.926 121.223 -0.129 0.000 2.418 248 L HA 0.405 4.745 4.340 -0.000 0.000 0.265 248 L C -2.100 174.774 176.870 0.006 0.000 1.143 248 L CA -2.189 52.565 54.840 -0.145 0.000 0.809 248 L CB 0.474 42.303 42.059 -0.382 0.000 1.124 248 L HN 0.022 nan 8.230 nan 0.000 0.456 249 P HA 0.004 nan 4.420 nan 0.000 0.267 249 P C -0.349 177.100 177.300 0.249 0.000 1.200 249 P CA -0.103 63.106 63.100 0.181 0.000 0.772 249 P CB 0.132 31.988 31.700 0.260 0.000 0.855 250 I N 0.083 120.725 120.570 0.119 0.000 2.880 250 I HA 0.111 4.281 4.170 -0.000 0.000 0.296 250 I C -0.126 176.211 176.117 0.366 0.000 1.220 250 I CA -0.045 61.354 61.300 0.164 0.000 1.435 250 I CB -0.177 37.747 38.000 -0.127 0.000 1.339 250 I HN 0.097 nan 8.210 nan 0.000 0.583 251 L N 6.515 128.039 121.223 0.502 0.000 2.356 251 L HA 0.569 4.909 4.340 -0.000 0.000 0.277 251 L C -0.578 176.633 176.870 0.568 0.000 0.996 251 L CA -0.358 54.752 54.840 0.450 0.000 0.822 251 L CB 1.527 43.726 42.059 0.233 0.000 1.256 251 L HN 0.681 nan 8.230 nan 0.000 0.413 252 R N 2.348 123.075 120.500 0.378 0.000 2.514 252 R HA 0.417 4.756 4.340 -0.000 0.000 0.301 252 R C -1.194 175.249 176.300 0.239 0.000 0.962 252 R CA -0.794 55.435 56.100 0.216 0.000 0.882 252 R CB 0.999 31.113 30.300 -0.310 0.000 1.143 252 R HN 0.668 nan 8.270 nan 0.000 0.452 253 H N 2.690 121.869 119.070 0.181 0.000 2.336 253 H HA 0.159 4.715 4.556 -0.000 0.000 0.230 253 H C 0.062 175.476 175.328 0.143 0.000 1.426 253 H CA -0.246 55.898 56.048 0.161 0.000 1.359 253 H CB 0.468 30.405 29.762 0.292 0.000 1.555 253 H HN 0.626 nan 8.280 nan 0.000 0.512 254 Q N 0.573 120.429 119.800 0.094 0.000 2.291 254 Q HA -0.094 4.246 4.340 -0.000 0.000 0.205 254 Q C 0.594 176.614 176.000 0.033 0.000 0.970 254 Q CA 1.024 56.838 55.803 0.019 0.000 0.876 254 Q CB 0.469 29.057 28.738 -0.250 0.000 0.935 254 Q HN 0.565 nan 8.270 nan 0.000 0.455 255 D N 0.444 120.829 120.400 -0.026 0.000 2.310 255 D HA -0.098 4.542 4.640 -0.000 0.000 0.212 255 D C 1.097 177.306 176.300 -0.151 0.000 0.965 255 D CA 0.967 54.936 54.000 -0.053 0.000 0.879 255 D CB 0.236 41.041 40.800 0.008 0.000 0.921 255 D HN 0.194 nan 8.370 nan 0.000 0.510 256 Q N 0.228 119.823 119.800 -0.341 0.000 2.135 256 Q HA 0.056 4.396 4.340 -0.000 0.000 0.222 256 Q C -0.551 175.379 176.000 -0.116 0.000 0.808 256 Q CA -0.133 55.500 55.803 -0.284 0.000 1.049 256 Q CB 1.153 29.606 28.738 -0.475 0.000 1.168 256 Q HN 0.037 nan 8.270 nan 0.000 0.483 257 D N 0.643 121.062 120.400 0.032 0.000 2.800 257 D HA -0.182 4.458 4.640 -0.000 0.000 0.232 257 D C -0.692 175.683 176.300 0.126 0.000 1.137 257 D CA 0.785 54.872 54.000 0.145 0.000 0.718 257 D CB -1.131 39.681 40.800 0.019 0.000 1.084 257 D HN 0.279 nan 8.370 nan 0.000 0.432 258 L N -0.059 121.273 121.223 0.183 0.000 2.388 258 L HA 0.647 4.987 4.340 -0.000 0.000 0.264 258 L C -0.180 176.767 176.870 0.128 0.000 0.998 258 L CA -1.176 53.655 54.840 -0.015 0.000 0.817 258 L CB 1.848 43.854 42.059 -0.088 0.000 1.338 258 L HN 0.051 nan 8.230 nan 0.000 0.414 259 Y N -0.134 120.067 120.300 -0.165 0.000 2.615 259 Y HA 0.791 5.340 4.550 -0.000 0.000 0.341 259 Y C -1.716 174.005 175.900 -0.299 0.000 1.089 259 Y CA -1.490 56.588 58.100 -0.037 0.000 1.049 259 Y CB 1.311 39.975 38.460 0.341 0.000 1.296 259 Y HN 0.330 nan 8.280 nan 0.000 0.470 260 Y N 0.270 120.946 120.300 0.627 0.000 2.571 260 Y HA 0.761 5.310 4.550 -0.000 0.000 0.341 260 Y C -0.626 175.552 175.900 0.463 0.000 1.076 260 Y CA -1.332 57.075 58.100 0.511 0.000 1.029 260 Y CB 2.557 41.321 38.460 0.507 0.000 1.308 260 Y HN 0.803 nan 8.280 nan 0.000 0.461 261 R N -0.519 120.280 120.500 0.498 0.000 2.739 261 R HA 0.647 4.987 4.340 -0.000 0.000 0.271 261 R C -1.724 174.472 176.300 -0.174 0.000 1.010 261 R CA -1.184 55.009 56.100 0.155 0.000 0.897 261 R CB 1.911 32.260 30.300 0.082 0.000 1.236 261 R HN 0.592 nan 8.270 nan 0.000 0.466 262 E N 1.346 121.320 120.200 -0.377 0.000 2.313 262 E HA 0.217 4.566 4.350 -0.000 0.000 0.272 262 E C -0.744 175.628 176.600 -0.381 0.000 1.038 262 E CA -0.636 55.476 56.400 -0.479 0.000 0.863 262 E CB 0.956 30.427 29.700 -0.382 0.000 1.060 262 E HN 0.401 nan 8.360 nan 0.000 0.402 263 H N 1.971 120.991 119.070 -0.084 0.000 2.791 263 H HA 0.219 4.775 4.556 -0.000 0.000 0.272 263 H C 0.764 176.086 175.328 -0.010 0.000 1.188 263 H CA 0.145 56.190 56.048 -0.005 0.000 1.436 263 H CB 1.029 30.827 29.762 0.059 0.000 1.467 263 H HN 0.884 nan 8.280 nan 0.000 0.500 264 G N 3.965 112.790 108.800 0.042 0.000 2.622 264 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.307 264 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.307 264 G C 0.806 175.723 174.900 0.028 0.000 1.226 264 G CA 0.839 45.959 45.100 0.032 0.000 0.997 264 G HN 0.647 nan 8.290 nan 0.000 0.551 265 D N 1.268 121.703 120.400 0.057 0.000 2.328 265 D HA 0.206 4.846 4.640 -0.000 0.000 0.221 265 D C 1.178 177.559 176.300 0.135 0.000 1.072 265 D CA 0.265 54.312 54.000 0.079 0.000 0.850 265 D CB -0.009 40.833 40.800 0.070 0.000 0.922 265 D HN 0.662 nan 8.370 nan 0.000 0.516 266 R N -0.814 119.772 120.500 0.143 0.000 2.596 266 R HA 0.496 4.835 4.340 -0.000 0.000 0.267 266 R C -0.893 175.558 176.300 0.253 0.000 1.026 266 R CA -0.733 55.491 56.100 0.208 0.000 1.087 266 R CB 0.925 31.323 30.300 0.163 0.000 1.132 266 R HN -0.004 nan 8.270 nan 0.000 0.531 267 Y N -0.926 119.500 120.300 0.210 0.000 2.409 267 Y HA 0.428 4.978 4.550 -0.000 0.000 0.339 267 Y C 0.639 176.710 175.900 0.285 0.000 1.033 267 Y CA -0.351 57.913 58.100 0.273 0.000 1.094 267 Y CB 2.272 40.886 38.460 0.257 0.000 1.210 267 Y HN 0.683 nan 8.280 nan 0.000 0.456 268 G N 3.952 113.051 108.800 0.498 0.000 2.343 268 G HA2 0.609 4.569 3.960 -0.000 0.000 0.319 268 G HA3 0.609 4.569 3.960 -0.000 0.000 0.319 268 G C -1.199 173.775 174.900 0.125 0.000 1.126 268 G CA -0.513 44.739 45.100 0.254 0.000 0.889 268 G HN 0.559 nan 8.290 nan 0.000 0.457 269 I N 1.879 122.251 120.570 -0.330 0.000 2.418 269 I HA 0.441 4.611 4.170 -0.000 0.000 0.287 269 I C 0.635 176.409 176.117 -0.571 0.000 1.008 269 I CA -0.677 60.507 61.300 -0.194 0.000 1.104 269 I CB 2.346 40.472 38.000 0.210 0.000 1.264 269 I HN 0.527 nan 8.210 nan 0.000 0.438 270 G N 3.129 111.455 108.800 -0.791 0.000 2.343 270 G HA2 0.517 4.477 3.960 -0.000 0.000 0.319 270 G HA3 0.517 4.477 3.960 -0.000 0.000 0.319 270 G C -0.926 173.532 174.900 -0.737 0.000 1.126 270 G CA -0.344 44.142 45.100 -1.023 0.000 0.889 270 G HN 0.471 nan 8.290 nan 0.000 0.457 271 S N 1.445 116.977 115.700 -0.281 0.000 2.605 271 S HA 0.432 4.902 4.470 -0.000 0.000 0.308 271 S C -0.382 174.189 174.600 -0.049 0.000 1.113 271 S CA -0.744 57.410 58.200 -0.076 0.000 1.049 271 S CB 0.727 64.074 63.200 0.246 0.000 1.001 271 S HN 0.524 nan 8.310 nan 0.000 0.480 272 Y N 2.704 122.961 120.300 -0.072 0.000 2.532 272 Y HA 0.389 4.938 4.550 -0.000 0.000 0.283 272 Y C 1.491 177.122 175.900 -0.448 0.000 1.181 272 Y CA -0.213 57.643 58.100 -0.407 0.000 1.256 272 Y CB 0.295 38.306 38.460 -0.748 0.000 1.112 272 Y HN 0.784 nan 8.280 nan 0.000 0.521 273 A N 1.684 124.448 122.820 -0.093 0.000 3.202 273 A HA 0.262 4.582 4.320 -0.000 0.000 0.258 273 A C -0.114 177.542 177.584 0.119 0.000 1.572 273 A CA -0.136 51.897 52.037 -0.006 0.000 1.241 273 A CB -1.281 17.721 19.000 0.002 0.000 1.127 273 A HN 0.567 nan 8.150 nan 0.000 0.648 274 H N -1.485 117.729 119.070 0.241 0.000 2.981 274 H HA 0.476 5.032 4.556 -0.000 0.000 0.327 274 H C -0.481 175.015 175.328 0.280 0.000 1.342 274 H CA -1.192 54.991 56.048 0.226 0.000 1.123 274 H CB 0.492 30.389 29.762 0.225 0.000 1.851 274 H HN 0.446 nan 8.280 nan 0.000 0.531 275 R N 0.627 121.348 120.500 0.369 0.000 2.679 275 R HA 0.242 4.581 4.340 -0.000 0.000 0.268 275 R C -2.602 173.851 176.300 0.255 0.000 1.044 275 R CA -1.328 54.914 56.100 0.238 0.000 1.105 275 R CB -0.424 29.948 30.300 0.120 0.000 0.989 275 R HN 0.251 nan 8.270 nan 0.000 0.447 276 P HA -0.005 nan 4.420 nan 0.000 0.268 276 P C -0.725 176.470 177.300 -0.176 0.000 1.205 276 P CA 0.285 63.245 63.100 -0.233 0.000 0.771 276 P CB 0.522 32.132 31.700 -0.151 0.000 0.858 277 M N 3.721 123.161 119.600 -0.266 0.000 1.960 277 M HA 0.302 4.782 4.480 -0.000 0.000 0.271 277 M C -2.558 173.639 176.300 -0.173 0.000 0.862 277 M CA -1.930 53.277 55.300 -0.154 0.000 0.854 277 M CB 1.831 34.360 32.600 -0.118 0.000 1.575 277 M HN 0.079 nan 8.290 nan 0.000 0.375 278 P HA 0.158 nan 4.420 nan 0.000 0.269 278 P C -0.834 176.385 177.300 -0.135 0.000 1.209 278 P CA -0.291 62.721 63.100 -0.147 0.000 0.776 278 P CB 0.861 32.492 31.700 -0.114 0.000 0.876 279 V N 2.548 122.368 119.914 -0.157 0.000 2.531 279 V HA 0.196 4.316 4.120 -0.000 0.000 0.301 279 V C -0.185 175.831 176.094 -0.130 0.000 1.034 279 V CA -0.537 61.666 62.300 -0.162 0.000 0.865 279 V CB 1.801 33.464 31.823 -0.266 0.000 0.995 279 V HN 0.481 nan 8.190 nan 0.000 0.424 280 D N 3.628 123.979 120.400 -0.082 0.000 2.344 280 D HA 0.102 4.742 4.640 -0.000 0.000 0.253 280 D C 1.228 177.511 176.300 -0.028 0.000 1.255 280 D CA -0.079 53.895 54.000 -0.045 0.000 0.894 280 D CB 1.758 42.547 40.800 -0.019 0.000 1.067 280 D HN 0.425 nan 8.370 nan 0.000 0.492 281 V N 1.646 121.546 119.914 -0.023 0.000 2.568 281 V HA -0.183 3.937 4.120 -0.000 0.000 0.253 281 V C 1.393 177.554 176.094 0.111 0.000 1.072 281 V CA 1.328 63.642 62.300 0.022 0.000 1.084 281 V CB -0.292 31.549 31.823 0.029 0.000 0.676 281 V HN 0.349 nan 8.190 nan 0.000 0.469 282 D N 1.533 121.988 120.400 0.092 0.000 2.310 282 D HA -0.099 4.541 4.640 -0.000 0.000 0.212 282 D C 2.311 178.667 176.300 0.095 0.000 0.965 282 D CA 1.965 56.027 54.000 0.104 0.000 0.879 282 D CB -0.129 40.715 40.800 0.073 0.000 0.921 282 D HN 0.789 nan 8.370 nan 0.000 0.510 283 T N -1.886 112.712 114.554 0.073 0.000 3.129 283 T HA 0.100 4.450 4.350 -0.000 0.000 0.251 283 T C 2.129 176.889 174.700 0.100 0.000 1.117 283 T CA -0.073 62.068 62.100 0.068 0.000 1.034 283 T CB -0.226 68.664 68.868 0.037 0.000 0.968 283 T HN 0.094 nan 8.240 nan 0.000 0.526 284 L N 1.046 122.358 121.223 0.149 0.000 2.141 284 L HA 0.235 4.575 4.340 -0.000 0.000 0.209 284 L C 1.617 178.658 176.870 0.284 0.000 1.094 284 L CA 0.876 55.851 54.840 0.226 0.000 0.763 284 L CB -1.297 40.938 42.059 0.295 0.000 0.908 284 L HN 0.697 nan 8.230 nan 0.000 0.437 285 G N -0.502 108.434 108.800 0.228 0.000 2.705 285 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.686 285 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.686 285 G C -0.350 174.711 174.900 0.268 0.000 1.285 285 G CA -0.590 44.616 45.100 0.177 0.000 0.800 285 G HN 0.410 nan 8.290 nan 0.000 0.611 286 A N 1.529 124.454 122.820 0.174 0.000 2.350 286 A HA 0.615 4.935 4.320 -0.000 0.000 0.293 286 A C -0.102 177.605 177.584 0.204 0.000 1.231 286 A CA -0.171 51.981 52.037 0.192 0.000 0.883 286 A CB -0.034 19.030 19.000 0.107 0.000 1.133 286 A HN 1.054 nan 8.150 nan 0.000 0.533 287 Y N 1.810 122.157 120.300 0.077 0.000 2.436 287 Y HA 0.342 4.891 4.550 -0.000 0.000 0.336 287 Y C 1.130 177.069 175.900 0.064 0.000 1.049 287 Y CA 0.064 58.212 58.100 0.081 0.000 1.294 287 Y CB 0.699 39.200 38.460 0.070 0.000 1.179 287 Y HN 0.802 nan 8.280 nan 0.000 0.520 288 A N 7.349 130.264 122.820 0.159 0.000 2.548 288 A HA 0.138 4.458 4.320 -0.000 0.000 0.247 288 A C -1.539 176.131 177.584 0.144 0.000 1.067 288 A CA -1.026 51.079 52.037 0.113 0.000 0.757 288 A CB 0.014 19.055 19.000 0.069 0.000 0.996 288 A HN 0.624 nan 8.150 nan 0.000 0.504 289 P HA -0.226 nan 4.420 nan 0.000 0.215 289 P C 1.463 178.815 177.300 0.088 0.000 1.153 289 P CA 1.556 64.709 63.100 0.087 0.000 0.853 289 P CB 0.098 31.826 31.700 0.047 0.000 0.788 290 E N 0.033 120.275 120.200 0.070 0.000 2.267 290 E HA -0.193 4.157 4.350 -0.000 0.000 0.197 290 E C 1.412 178.058 176.600 0.077 0.000 0.998 290 E CA 2.083 58.518 56.400 0.057 0.000 0.830 290 E CB -1.453 28.269 29.700 0.037 0.000 0.751 290 E HN 0.336 nan 8.360 nan 0.000 0.491 291 T N -1.268 113.359 114.554 0.122 0.000 3.067 291 T HA 0.138 4.488 4.350 -0.000 0.000 0.257 291 T C 0.959 175.841 174.700 0.304 0.000 1.105 291 T CA -0.026 62.171 62.100 0.162 0.000 1.104 291 T CB -0.137 68.834 68.868 0.172 0.000 0.925 291 T HN -0.034 nan 8.240 nan 0.000 0.498 292 V N 3.644 123.724 119.914 0.277 0.000 2.485 292 V HA 0.471 4.590 4.120 -0.000 0.000 0.287 292 V C 0.569 176.759 176.094 0.160 0.000 1.022 292 V CA 0.114 62.565 62.300 0.253 0.000 1.067 292 V CB 0.125 32.028 31.823 0.132 0.000 0.967 292 V HN 0.834 nan 8.190 nan 0.000 0.479 293 S N 2.003 117.803 115.700 0.167 0.000 2.720 293 S HA 0.312 4.782 4.470 -0.000 0.000 0.287 293 S C 0.717 175.329 174.600 0.020 0.000 1.168 293 S CA 0.068 58.319 58.200 0.086 0.000 0.832 293 S CB 1.652 64.913 63.200 0.101 0.000 1.166 293 S HN 0.490 nan 8.310 nan 0.000 0.493 294 E N 0.106 120.266 120.200 -0.067 0.000 2.171 294 E HA -0.208 4.142 4.350 -0.000 0.000 0.197 294 E C 0.925 177.270 176.600 -0.426 0.000 0.997 294 E CA 1.937 58.183 56.400 -0.257 0.000 0.810 294 E CB -0.705 28.789 29.700 -0.343 0.000 0.738 294 E HN 0.716 nan 8.360 nan 0.000 0.467 295 H N -2.463 116.606 119.070 -0.001 0.000 2.652 295 H HA 0.217 4.773 4.556 -0.000 0.000 0.274 295 H C 0.424 175.811 175.328 0.098 0.000 1.021 295 H CA 0.273 56.316 56.048 -0.007 0.000 1.187 295 H CB 0.272 30.042 29.762 0.013 0.000 1.505 295 H HN 0.308 nan 8.280 nan 0.000 0.530 296 H N 1.496 120.620 119.070 0.091 0.000 2.607 296 H HA 0.309 4.865 4.556 -0.000 0.000 0.248 296 H C -0.773 174.669 175.328 0.190 0.000 1.355 296 H CA -0.281 55.881 56.048 0.189 0.000 1.524 296 H CB 0.230 30.110 29.762 0.196 0.000 1.563 296 H HN 0.212 nan 8.280 nan 0.000 0.509 297 M N 1.766 121.284 119.600 -0.137 0.000 2.520 297 M HA 0.435 4.915 4.480 -0.000 0.000 0.283 297 M C -2.693 173.255 176.300 -0.587 0.000 1.237 297 M CA -2.018 53.066 55.300 -0.359 0.000 0.885 297 M CB 2.693 35.208 32.600 -0.141 0.000 1.727 297 M HN -0.158 nan 8.290 nan 0.000 0.468 298 P HA -0.150 nan 4.420 nan 0.000 0.217 298 P C 1.343 178.668 177.300 0.042 0.000 1.148 298 P CA 2.126 64.954 63.100 -0.453 0.000 0.828 298 P CB -0.066 31.629 31.700 -0.009 0.000 0.783 299 S N -1.807 113.999 115.700 0.175 0.000 2.555 299 S HA 0.011 4.481 4.470 -0.000 0.000 0.230 299 S C 0.890 175.583 174.600 0.155 0.000 0.978 299 S CA 0.114 58.498 58.200 0.306 0.000 0.934 299 S CB -0.529 63.007 63.200 0.561 0.000 0.766 299 S HN 0.069 nan 8.310 nan 0.000 0.533 300 R N 0.953 121.473 120.500 0.035 0.000 2.337 300 R HA 0.551 4.891 4.340 -0.000 0.000 0.319 300 R C -1.039 175.296 176.300 0.059 0.000 0.954 300 R CA -0.381 55.715 56.100 -0.007 0.000 0.840 300 R CB 1.296 31.482 30.300 -0.190 0.000 1.164 300 R HN 0.289 nan 8.270 nan 0.000 0.472 301 L N 1.814 123.096 121.223 0.097 0.000 2.375 301 L HA 0.273 4.613 4.340 -0.000 0.000 0.268 301 L C 0.178 177.128 176.870 0.134 0.000 1.058 301 L CA -1.019 53.874 54.840 0.089 0.000 0.803 301 L CB 0.956 43.038 42.059 0.039 0.000 1.212 301 L HN 0.392 nan 8.230 nan 0.000 0.451 302 D N 1.157 121.625 120.400 0.113 0.000 2.648 302 D HA -0.114 4.526 4.640 -0.000 0.000 0.229 302 D C -0.257 176.139 176.300 0.160 0.000 1.119 302 D CA 0.508 54.584 54.000 0.128 0.000 0.850 302 D CB 0.247 41.093 40.800 0.077 0.000 1.169 302 D HN 0.102 nan 8.370 nan 0.000 0.489 303 F N 2.248 122.198 119.950 0.001 0.000 2.529 303 F HA 0.096 4.623 4.527 -0.000 0.000 0.365 303 F C 0.870 176.632 175.800 -0.064 0.000 1.102 303 F CA -0.631 57.334 58.000 -0.059 0.000 1.271 303 F CB 0.399 39.349 39.000 -0.084 0.000 1.120 303 F HN 0.135 nan 8.300 nan 0.000 0.579 304 T N 6.164 120.386 114.554 -0.553 0.000 3.154 304 T HA 0.256 4.605 4.350 -0.000 0.000 0.381 304 T C 0.995 175.171 174.700 -0.874 0.000 1.368 304 T CA -0.685 61.091 62.100 -0.540 0.000 1.155 304 T CB 0.432 69.136 68.868 -0.273 0.000 1.120 304 T HN 0.702 nan 8.240 nan 0.000 0.570 305 L N 2.557 123.181 121.223 -0.998 0.000 2.089 305 L HA -0.043 4.297 4.340 -0.000 0.000 0.213 305 L C 2.646 179.346 176.870 -0.282 0.000 1.079 305 L CA 2.834 57.213 54.840 -0.767 0.000 0.758 305 L CB -0.906 40.956 42.059 -0.330 0.000 0.891 305 L HN 0.758 nan 8.230 nan 0.000 0.433 306 E N -0.768 119.305 120.200 -0.212 0.000 2.118 306 E HA -0.276 4.074 4.350 -0.000 0.000 0.195 306 E C 1.875 178.447 176.600 -0.048 0.000 0.992 306 E CA 1.672 58.018 56.400 -0.089 0.000 0.804 306 E CB -1.024 28.631 29.700 -0.075 0.000 0.741 306 E HN 0.730 nan 8.360 nan 0.000 0.458 307 D N -1.424 118.925 120.400 -0.085 0.000 2.264 307 D HA -0.024 4.616 4.640 -0.000 0.000 0.208 307 D C 1.419 177.797 176.300 0.129 0.000 0.966 307 D CA 0.691 54.699 54.000 0.013 0.000 0.864 307 D CB -0.082 40.691 40.800 -0.045 0.000 0.933 307 D HN 0.481 nan 8.370 nan 0.000 0.499 308 F N 1.155 121.069 119.950 -0.060 0.000 2.698 308 F HA 0.144 4.671 4.527 -0.000 0.000 0.295 308 F C 1.969 177.848 175.800 0.131 0.000 1.124 308 F CA 0.077 58.122 58.000 0.075 0.000 1.426 308 F CB -0.038 39.043 39.000 0.135 0.000 1.120 308 F HN -0.194 nan 8.300 nan 0.000 0.583 309 L N 0.931 122.200 121.223 0.077 0.000 2.013 309 L HA -0.200 4.139 4.340 -0.000 0.000 0.212 309 L C -0.394 176.483 176.870 0.013 0.000 1.073 309 L CA 1.638 56.524 54.840 0.077 0.000 0.753 309 L CB -2.262 39.847 42.059 0.083 0.000 0.890 309 L HN 0.103 nan 8.230 nan 0.000 0.432 310 P HA -0.116 nan 4.420 nan 0.000 0.218 310 P C 1.439 178.677 177.300 -0.104 0.000 1.149 310 P CA 1.577 64.656 63.100 -0.036 0.000 0.817 310 P CB 0.010 31.703 31.700 -0.011 0.000 0.785 311 A N -0.940 121.734 122.820 -0.244 0.000 1.930 311 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 311 A C 2.212 179.610 177.584 -0.310 0.000 1.175 311 A CA 1.048 52.885 52.037 -0.334 0.000 0.627 311 A CB -1.902 16.763 19.000 -0.558 0.000 0.815 311 A HN 0.298 nan 8.150 nan 0.000 0.443 312 W N 0.942 121.836 121.300 -0.677 0.000 2.355 312 W HA -0.163 4.497 4.660 -0.000 0.000 0.309 312 W C 1.772 178.226 176.519 -0.108 0.000 1.206 312 W CA 1.674 58.827 57.345 -0.321 0.000 1.284 312 W CB -0.024 29.348 29.460 -0.147 0.000 1.145 312 W HN 0.365 nan 8.180 nan 0.000 0.502 313 E N 0.712 120.849 120.200 -0.105 0.000 2.038 313 E HA -0.221 4.128 4.350 -0.000 0.000 0.195 313 E C 2.290 178.796 176.600 -0.155 0.000 1.000 313 E CA 1.789 58.088 56.400 -0.169 0.000 0.803 313 E CB -1.159 28.505 29.700 -0.059 0.000 0.750 313 E HN 0.330 nan 8.360 nan 0.000 0.448 314 A N 0.745 123.516 122.820 -0.082 0.000 1.978 314 A HA -0.181 4.138 4.320 -0.000 0.000 0.220 314 A C 2.452 180.040 177.584 0.007 0.000 1.170 314 A CA 2.124 54.153 52.037 -0.013 0.000 0.636 314 A CB -0.889 18.125 19.000 0.022 0.000 0.810 314 A HN 0.268 nan 8.150 nan 0.000 0.448 315 T N -0.004 114.528 114.554 -0.038 0.000 2.674 315 T HA -0.144 4.206 4.350 -0.000 0.000 0.265 315 T C 1.927 176.468 174.700 -0.264 0.000 1.039 315 T CA 1.776 63.852 62.100 -0.041 0.000 1.150 315 T CB -0.207 68.678 68.868 0.028 0.000 0.864 315 T HN 0.573 nan 8.240 nan 0.000 0.427 316 K N 0.665 120.813 120.400 -0.420 0.000 2.097 316 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 316 K C 2.666 179.114 176.600 -0.253 0.000 1.049 316 K CA 0.883 56.920 56.287 -0.417 0.000 0.933 316 K CB -0.060 32.136 32.500 -0.507 0.000 0.717 316 K HN 0.271 nan 8.250 nan 0.000 0.442 317 Q N 0.671 120.361 119.800 -0.183 0.000 2.050 317 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 317 Q C 2.259 178.184 176.000 -0.125 0.000 0.980 317 Q CA 1.162 56.895 55.803 -0.118 0.000 0.840 317 Q CB -0.357 28.345 28.738 -0.059 0.000 0.898 317 Q HN 0.244 nan 8.270 nan 0.000 0.424 318 L N -0.358 120.782 121.223 -0.139 0.000 2.072 318 L HA -0.002 4.338 4.340 -0.000 0.000 0.205 318 L C 0.614 177.328 176.870 -0.260 0.000 1.079 318 L CA 1.299 56.005 54.840 -0.222 0.000 0.752 318 L CB 0.156 42.023 42.059 -0.319 0.000 0.906 318 L HN 0.051 nan 8.230 nan 0.000 0.436 319 L N 0.451 121.496 121.223 -0.297 0.000 2.457 319 L HA 0.302 4.642 4.340 -0.000 0.000 0.252 319 L C -1.732 174.978 176.870 -0.266 0.000 1.132 319 L CA -1.315 53.339 54.840 -0.310 0.000 0.938 319 L CB 0.994 42.766 42.059 -0.478 0.000 1.246 319 L HN -0.073 nan 8.230 nan 0.000 0.476 320 P HA -0.174 nan 4.420 nan 0.000 0.219 320 P C 1.588 178.800 177.300 -0.147 0.000 1.146 320 P CA 0.988 63.990 63.100 -0.164 0.000 0.808 320 P CB 0.345 31.976 31.700 -0.114 0.000 0.779 321 A N -0.632 122.108 122.820 -0.133 0.000 2.032 321 A HA -0.189 4.131 4.320 -0.000 0.000 0.221 321 A C 1.919 179.438 177.584 -0.107 0.000 1.165 321 A CA 1.508 53.488 52.037 -0.096 0.000 0.645 321 A CB -1.593 17.363 19.000 -0.074 0.000 0.807 321 A HN 0.126 nan 8.150 nan 0.000 0.453 322 L N -0.967 120.140 121.223 -0.193 0.000 2.395 322 L HA 0.048 4.388 4.340 -0.000 0.000 0.218 322 L C 2.727 179.509 176.870 -0.147 0.000 1.130 322 L CA 1.242 55.978 54.840 -0.173 0.000 0.826 322 L CB -0.618 41.266 42.059 -0.293 0.000 0.941 322 L HN 0.372 nan 8.230 nan 0.000 0.451 323 A N -1.019 121.692 122.820 -0.181 0.000 2.125 323 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 323 A C 1.501 179.094 177.584 0.014 0.000 1.156 323 A CA 1.402 53.364 52.037 -0.126 0.000 0.671 323 A CB -0.359 18.562 19.000 -0.130 0.000 0.794 323 A HN 0.348 nan 8.150 nan 0.000 0.459 324 D N -0.031 120.382 120.400 0.022 0.000 2.336 324 D HA 0.097 4.737 4.640 -0.000 0.000 0.228 324 D C 0.674 177.036 176.300 0.102 0.000 1.120 324 D CA 0.754 54.789 54.000 0.058 0.000 0.839 324 D CB 0.170 40.990 40.800 0.032 0.000 0.932 324 D HN 0.539 nan 8.370 nan 0.000 0.509 325 S N -0.795 115.004 115.700 0.166 0.000 2.759 325 S HA 0.641 5.110 4.470 -0.000 0.000 0.310 325 S C -0.091 174.702 174.600 0.320 0.000 1.123 325 S CA -0.816 57.515 58.200 0.219 0.000 0.959 325 S CB 2.638 65.984 63.200 0.243 0.000 1.172 325 S HN -0.094 nan 8.310 nan 0.000 0.539 326 E N -0.303 120.031 120.200 0.224 0.000 2.359 326 E HA 0.460 4.810 4.350 -0.000 0.000 0.266 326 E C -0.922 175.621 176.600 -0.096 0.000 0.920 326 E CA -0.948 55.520 56.400 0.113 0.000 0.788 326 E CB 1.732 31.456 29.700 0.039 0.000 1.279 326 E HN 0.556 nan 8.360 nan 0.000 0.438 327 I N 2.097 122.424 120.570 -0.406 0.000 2.664 327 I HA -0.090 4.079 4.170 -0.000 0.000 0.284 327 I C 1.395 177.368 176.117 -0.239 0.000 1.154 327 I CA 0.771 61.802 61.300 -0.449 0.000 1.402 327 I CB 0.195 37.855 38.000 -0.567 0.000 1.395 327 I HN 0.699 nan 8.210 nan 0.000 0.545 328 E N 4.293 124.371 120.200 -0.203 0.000 2.065 328 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 328 E C -0.090 176.404 176.600 -0.176 0.000 0.960 328 E CA 0.405 56.721 56.400 -0.139 0.000 0.824 328 E CB 0.541 30.190 29.700 -0.085 0.000 0.793 328 E HN 0.752 nan 8.360 nan 0.000 0.459 329 D N -1.131 119.124 120.400 -0.241 0.000 2.857 329 D HA 0.479 5.119 4.640 -0.000 0.000 0.227 329 D C -1.066 174.940 176.300 -0.489 0.000 1.192 329 D CA -0.585 53.262 54.000 -0.255 0.000 0.857 329 D CB 1.924 42.668 40.800 -0.093 0.000 1.645 329 D HN 0.212 nan 8.370 nan 0.000 0.482 330 G N 0.822 109.185 108.800 -0.729 0.000 2.619 330 G HA2 0.700 4.660 3.960 -0.000 0.000 0.296 330 G HA3 0.700 4.660 3.960 -0.000 0.000 0.296 330 G C -1.455 173.109 174.900 -0.561 0.000 1.334 330 G CA -0.933 43.373 45.100 -1.323 0.000 0.934 330 G HN 0.532 nan 8.290 nan 0.000 0.476 331 F N -1.384 118.299 119.950 -0.445 0.000 2.662 331 F HA 0.695 5.221 4.527 -0.000 0.000 0.312 331 F C -1.175 174.617 175.800 -0.014 0.000 1.113 331 F CA -1.848 56.090 58.000 -0.103 0.000 0.951 331 F CB 1.465 40.407 39.000 -0.096 0.000 1.344 331 F HN 0.220 nan 8.300 nan 0.000 0.462 332 N N 0.908 119.697 118.700 0.149 0.000 2.527 332 N HA 0.481 5.220 4.740 -0.000 0.000 0.236 332 N C -0.241 175.339 175.510 0.117 0.000 0.999 332 N CA -0.309 52.761 53.050 0.033 0.000 0.935 332 N CB 1.472 39.974 38.487 0.024 0.000 1.132 332 N HN 1.065 nan 8.380 nan 0.000 0.511 333 G N 1.295 110.123 108.800 0.047 0.000 2.367 333 G HA2 0.557 4.516 3.960 -0.000 0.000 0.314 333 G HA3 0.557 4.516 3.960 -0.000 0.000 0.314 333 G C -0.073 174.984 174.900 0.262 0.000 1.130 333 G CA -0.508 44.624 45.100 0.053 0.000 0.864 333 G HN 0.490 nan 8.290 nan 0.000 0.486 334 I N 1.843 122.568 120.570 0.258 0.000 2.365 334 I HA 0.492 4.662 4.170 -0.000 0.000 0.291 334 I C 0.151 176.499 176.117 0.385 0.000 1.004 334 I CA -0.411 60.917 61.300 0.047 0.000 1.311 334 I CB 0.935 38.517 38.000 -0.696 0.000 1.401 334 I HN 0.622 nan 8.210 nan 0.000 0.491 335 F N 2.098 122.079 119.950 0.051 0.000 3.084 335 F HA 0.715 5.241 4.527 -0.000 0.000 0.336 335 F C -0.676 175.146 175.800 0.036 0.000 1.230 335 F CA -0.963 57.107 58.000 0.117 0.000 0.993 335 F CB 1.086 40.133 39.000 0.077 0.000 1.496 335 F HN 0.171 nan 8.300 nan 0.000 0.522 336 S N 0.213 115.520 115.700 -0.655 0.000 2.549 336 S HA 0.672 5.142 4.470 -0.000 0.000 0.297 336 S C -1.495 172.683 174.600 -0.704 0.000 1.115 336 S CA -0.391 57.515 58.200 -0.491 0.000 1.059 336 S CB 1.381 64.475 63.200 -0.178 0.000 1.046 336 S HN 0.467 nan 8.310 nan 0.000 0.506 337 F N 0.963 120.674 119.950 -0.399 0.000 2.593 337 F HA 0.638 5.165 4.527 -0.000 0.000 0.320 337 F C 0.530 176.286 175.800 -0.074 0.000 1.060 337 F CA -0.358 57.529 58.000 -0.189 0.000 0.940 337 F CB 2.325 41.239 39.000 -0.143 0.000 1.268 337 F HN 0.627 nan 8.300 nan 0.000 0.475 338 T N -0.685 114.063 114.554 0.323 0.000 2.901 338 T HA 0.417 4.766 4.350 -0.000 0.000 0.293 338 T C -2.572 172.289 174.700 0.267 0.000 1.084 338 T CA -2.138 60.091 62.100 0.214 0.000 1.008 338 T CB 2.163 71.155 68.868 0.206 0.000 1.170 338 T HN 0.168 nan 8.240 nan 0.000 0.509 339 P HA -0.059 nan 4.420 nan 0.000 0.218 339 P C 0.605 178.078 177.300 0.287 0.000 1.148 339 P CA 1.366 64.601 63.100 0.225 0.000 0.822 339 P CB 0.024 31.929 31.700 0.341 0.000 0.784 340 D N -3.941 116.679 120.400 0.367 0.000 2.503 340 D HA 0.196 4.835 4.640 -0.000 0.000 0.218 340 D C 1.282 177.750 176.300 0.279 0.000 1.183 340 D CA 0.203 54.382 54.000 0.299 0.000 0.827 340 D CB -0.534 40.438 40.800 0.287 0.000 1.034 340 D HN 0.154 nan 8.370 nan 0.000 0.510 341 G N -0.453 108.546 108.800 0.332 0.000 2.205 341 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.261 341 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.261 341 G C 0.685 175.735 174.900 0.251 0.000 0.980 341 G CA 0.055 45.357 45.100 0.336 0.000 0.632 341 G HN 0.812 nan 8.290 nan 0.000 0.533 342 G N 0.683 109.618 108.800 0.225 0.000 2.476 342 G HA2 0.681 4.641 3.960 -0.000 0.000 0.286 342 G HA3 0.681 4.641 3.960 -0.000 0.000 0.286 342 G C -1.378 173.635 174.900 0.188 0.000 1.177 342 G CA -0.379 44.824 45.100 0.173 0.000 0.870 342 G HN 0.308 nan 8.290 nan 0.000 0.528 343 P HA 0.279 nan 4.420 nan 0.000 0.286 343 P C -0.688 176.722 177.300 0.182 0.000 1.293 343 P CA -0.415 62.778 63.100 0.155 0.000 0.770 343 P CB 1.181 32.974 31.700 0.156 0.000 1.206 344 L N 0.328 121.648 121.223 0.162 0.000 2.377 344 L HA 0.469 4.809 4.340 -0.000 0.000 0.270 344 L C -0.091 176.871 176.870 0.154 0.000 0.991 344 L CA -0.336 54.615 54.840 0.186 0.000 0.851 344 L CB 0.743 42.906 42.059 0.172 0.000 1.218 344 L HN 0.181 nan 8.230 nan 0.000 0.420 345 L N 2.346 123.663 121.223 0.157 0.000 2.333 345 L HA 1.005 5.344 4.340 -0.000 0.000 0.263 345 L C 0.442 177.408 176.870 0.160 0.000 1.014 345 L CA -0.831 54.092 54.840 0.140 0.000 0.820 345 L CB 2.092 44.223 42.059 0.121 0.000 1.352 345 L HN 0.703 nan 8.230 nan 0.000 0.421 346 G N 0.903 109.821 108.800 0.196 0.000 2.384 346 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.668 346 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.668 346 G C -1.234 173.793 174.900 0.213 0.000 1.280 346 G CA -0.763 44.484 45.100 0.245 0.000 0.992 346 G HN 0.724 nan 8.290 nan 0.000 0.512 347 E N 0.173 120.392 120.200 0.030 0.000 2.344 347 E HA 0.474 4.824 4.350 -0.000 0.000 0.270 347 E C 1.308 177.841 176.600 -0.112 0.000 1.021 347 E CA 0.276 56.441 56.400 -0.392 0.000 0.887 347 E CB 0.475 29.866 29.700 -0.514 0.000 0.997 347 E HN 0.982 nan 8.360 nan 0.000 0.429 348 S N 3.716 119.387 115.700 -0.048 0.000 2.573 348 S HA 0.011 4.481 4.470 -0.000 0.000 0.277 348 S C 0.793 175.387 174.600 -0.010 0.000 1.346 348 S CA -0.165 58.057 58.200 0.037 0.000 1.034 348 S CB 1.206 64.473 63.200 0.113 0.000 0.879 348 S HN 0.621 nan 8.310 nan 0.000 0.528 349 K N 1.176 121.580 120.400 0.007 0.000 2.155 349 K HA -0.047 4.273 4.320 -0.000 0.000 0.203 349 K C 1.760 178.347 176.600 -0.021 0.000 1.052 349 K CA 1.416 57.700 56.287 -0.006 0.000 0.948 349 K CB -0.154 32.353 32.500 0.011 0.000 0.728 349 K HN 0.642 nan 8.250 nan 0.000 0.448 350 E N 0.128 120.311 120.200 -0.029 0.000 2.230 350 E HA 0.013 4.363 4.350 -0.000 0.000 0.192 350 E C -0.329 176.243 176.600 -0.047 0.000 0.987 350 E CA 0.446 56.818 56.400 -0.047 0.000 0.841 350 E CB 0.310 29.965 29.700 -0.076 0.000 0.783 350 E HN -0.043 nan 8.360 nan 0.000 0.481 351 L N 1.057 122.260 121.223 -0.035 0.000 2.528 351 L HA 0.311 4.651 4.340 -0.000 0.000 0.267 351 L C -1.705 175.185 176.870 0.034 0.000 0.961 351 L CA -0.694 54.141 54.840 -0.009 0.000 0.866 351 L CB 1.789 43.812 42.059 -0.059 0.000 1.248 351 L HN -0.237 nan 8.230 nan 0.000 0.404 352 D N 3.553 123.984 120.400 0.050 0.000 2.455 352 D HA 0.472 5.112 4.640 -0.000 0.000 0.241 352 D C 1.214 177.563 176.300 0.083 0.000 1.138 352 D CA 1.542 55.582 54.000 0.068 0.000 0.877 352 D CB 1.159 42.043 40.800 0.141 0.000 1.187 352 D HN 0.916 nan 8.370 nan 0.000 0.451 353 G N 1.782 110.609 108.800 0.045 0.000 2.179 353 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 353 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 353 G C 0.222 175.251 174.900 0.216 0.000 0.977 353 G CA 0.057 45.264 45.100 0.178 0.000 0.641 353 G HN 0.476 nan 8.290 nan 0.000 0.533 354 F N 1.560 121.470 119.950 -0.068 0.000 2.404 354 F HA 0.738 5.265 4.527 -0.000 0.000 0.354 354 F C -0.104 175.648 175.800 -0.081 0.000 1.122 354 F CA -1.237 56.776 58.000 0.023 0.000 1.080 354 F CB 0.676 39.677 39.000 0.002 0.000 1.131 354 F HN 0.048 nan 8.300 nan 0.000 0.471 355 Y N 4.109 124.244 120.300 -0.276 0.000 2.598 355 Y HA 0.644 5.194 4.550 -0.000 0.000 0.340 355 Y C -0.455 175.340 175.900 -0.175 0.000 1.038 355 Y CA -1.299 56.739 58.100 -0.104 0.000 1.100 355 Y CB 1.771 40.182 38.460 -0.081 0.000 1.281 355 Y HN 0.458 nan 8.280 nan 0.000 0.488 356 V N -0.858 119.153 119.914 0.162 0.000 2.815 356 V HA 1.008 5.127 4.120 -0.000 0.000 0.314 356 V C -0.684 175.463 176.094 0.087 0.000 1.064 356 V CA -1.143 61.220 62.300 0.104 0.000 0.952 356 V CB 1.487 33.404 31.823 0.155 0.000 1.020 356 V HN 0.984 nan 8.190 nan 0.000 0.439 357 A N 2.616 125.465 122.820 0.049 0.000 3.007 357 A HA 0.760 5.080 4.320 -0.000 0.000 0.314 357 A C -0.518 177.091 177.584 0.040 0.000 1.153 357 A CA -0.359 51.699 52.037 0.035 0.000 0.780 357 A CB 0.284 19.278 19.000 -0.011 0.000 1.258 357 A HN 0.944 nan 8.150 nan 0.000 0.460 358 E N 0.285 120.524 120.200 0.065 0.000 2.367 358 E HA 0.693 5.042 4.350 -0.000 0.000 0.273 358 E C -0.107 176.529 176.600 0.059 0.000 0.903 358 E CA -0.511 55.926 56.400 0.063 0.000 0.764 358 E CB 2.094 31.840 29.700 0.078 0.000 1.252 358 E HN 1.812 nan 8.360 nan 0.000 0.446 359 A N 0.585 123.422 122.820 0.028 0.000 2.632 359 A HA -0.108 4.212 4.320 -0.000 0.000 0.294 359 A C -0.877 176.696 177.584 -0.019 0.000 1.447 359 A CA 0.294 52.315 52.037 -0.028 0.000 0.728 359 A CB -1.899 17.093 19.000 -0.013 0.000 1.102 359 A HN 0.188 nan 8.150 nan 0.000 0.422 360 V N 0.500 120.416 119.914 0.003 0.000 2.577 360 V HA 0.586 4.706 4.120 -0.000 0.000 0.303 360 V C 0.353 176.534 176.094 0.144 0.000 1.042 360 V CA -0.843 61.529 62.300 0.120 0.000 0.872 360 V CB 1.546 33.442 31.823 0.121 0.000 0.998 360 V HN 0.634 nan 8.190 nan 0.000 0.423 361 W N 2.749 124.192 121.300 0.239 0.000 2.126 361 W HA 0.359 5.019 4.660 -0.000 0.000 0.346 361 W C 1.518 178.101 176.519 0.106 0.000 1.279 361 W CA -0.054 57.407 57.345 0.193 0.000 1.259 361 W CB 0.500 30.095 29.460 0.225 0.000 1.133 361 W HN 0.358 nan 8.180 nan 0.000 0.592 362 V N 1.278 121.393 119.914 0.334 0.000 2.380 362 V HA -0.342 3.778 4.120 -0.000 0.000 0.251 362 V C 2.004 178.158 176.094 0.099 0.000 1.063 362 V CA 2.497 64.899 62.300 0.171 0.000 1.055 362 V CB -1.243 30.660 31.823 0.134 0.000 0.657 362 V HN 0.814 nan 8.190 nan 0.000 0.455 363 T N -1.061 113.521 114.554 0.047 0.000 2.760 363 T HA -0.221 4.129 4.350 -0.000 0.000 0.269 363 T C 1.506 176.018 174.700 -0.314 0.000 1.047 363 T CA 1.792 63.757 62.100 -0.225 0.000 1.139 363 T CB -0.312 68.265 68.868 -0.484 0.000 0.855 363 T HN 0.641 nan 8.240 nan 0.000 0.471 364 H N -0.260 118.929 119.070 0.198 0.000 2.705 364 H HA 0.299 4.855 4.556 -0.000 0.000 0.269 364 H C 2.465 177.829 175.328 0.059 0.000 0.998 364 H CA 0.698 56.864 56.048 0.197 0.000 1.193 364 H CB -0.072 29.877 29.762 0.311 0.000 1.485 364 H HN 0.440 nan 8.280 nan 0.000 0.521 365 S N 1.523 117.301 115.700 0.130 0.000 2.369 365 S HA -0.248 4.221 4.470 -0.000 0.000 0.225 365 S C 2.407 177.001 174.600 -0.009 0.000 1.043 365 S CA 1.353 59.584 58.200 0.050 0.000 1.074 365 S CB -0.559 62.673 63.200 0.052 0.000 0.962 365 S HN 0.384 nan 8.310 nan 0.000 0.433 366 A N 1.780 124.610 122.820 0.017 0.000 1.969 366 A HA 0.270 4.590 4.320 -0.000 0.000 0.218 366 A C 2.419 180.108 177.584 0.176 0.000 1.169 366 A CA 1.520 53.602 52.037 0.076 0.000 0.635 366 A CB -1.704 17.265 19.000 -0.051 0.000 0.810 366 A HN 0.713 nan 8.150 nan 0.000 0.445 367 G N -0.624 108.230 108.800 0.090 0.000 2.402 367 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.216 367 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.216 367 G C 1.498 175.857 174.900 -0.902 0.000 1.162 367 G CA 1.197 46.187 45.100 -0.183 0.000 0.777 367 G HN 0.295 nan 8.290 nan 0.000 0.539 368 V N 1.423 120.808 119.914 -0.881 0.000 2.358 368 V HA -0.071 4.049 4.120 -0.000 0.000 0.246 368 V C 3.314 179.183 176.094 -0.375 0.000 1.047 368 V CA 1.886 63.721 62.300 -0.775 0.000 1.035 368 V CB -0.662 30.936 31.823 -0.374 0.000 0.658 368 V HN 0.467 nan 8.190 nan 0.000 0.452 369 A N -0.090 122.596 122.820 -0.223 0.000 1.883 369 A HA -0.302 4.018 4.320 -0.000 0.000 0.217 369 A C 2.339 179.833 177.584 -0.150 0.000 1.186 369 A CA 2.386 54.344 52.037 -0.131 0.000 0.624 369 A CB -0.514 18.455 19.000 -0.051 0.000 0.822 369 A HN 0.534 nan 8.150 nan 0.000 0.444 370 K N -0.399 119.904 120.400 -0.161 0.000 2.026 370 K HA -0.077 4.243 4.320 -0.000 0.000 0.208 370 K C 2.174 178.643 176.600 -0.219 0.000 1.048 370 K CA 1.250 57.411 56.287 -0.211 0.000 0.929 370 K CB -0.366 31.901 32.500 -0.388 0.000 0.713 370 K HN 0.348 nan 8.250 nan 0.000 0.439 371 A N 1.206 123.893 122.820 -0.222 0.000 1.908 371 A HA -0.180 4.139 4.320 -0.000 0.000 0.218 371 A C 2.115 179.619 177.584 -0.133 0.000 1.181 371 A CA 1.638 53.599 52.037 -0.128 0.000 0.627 371 A CB -0.424 18.558 19.000 -0.031 0.000 0.818 371 A HN 0.313 nan 8.150 nan 0.000 0.445 372 M N -0.540 118.963 119.600 -0.161 0.000 2.175 372 M HA -0.051 4.428 4.480 -0.000 0.000 0.264 372 M C 2.475 178.635 176.300 -0.234 0.000 1.063 372 M CA 1.420 56.618 55.300 -0.170 0.000 1.119 372 M CB -1.546 30.958 32.600 -0.161 0.000 1.377 372 M HN 0.490 nan 8.290 nan 0.000 0.415 373 A N 0.031 122.715 122.820 -0.227 0.000 1.930 373 A HA -0.162 4.157 4.320 -0.000 0.000 0.217 373 A C 2.099 179.490 177.584 -0.322 0.000 1.175 373 A CA 1.635 53.505 52.037 -0.278 0.000 0.627 373 A CB -0.590 18.276 19.000 -0.224 0.000 0.815 373 A HN 0.553 nan 8.150 nan 0.000 0.443 374 E N -0.700 119.353 120.200 -0.244 0.000 2.047 374 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 374 E C 1.944 178.420 176.600 -0.207 0.000 0.987 374 E CA 1.099 57.368 56.400 -0.218 0.000 0.799 374 E CB -0.271 29.335 29.700 -0.157 0.000 0.752 374 E HN 0.485 nan 8.360 nan 0.000 0.449 375 L N 1.131 122.251 121.223 -0.171 0.000 1.990 375 L HA -0.216 4.123 4.340 -0.000 0.000 0.213 375 L C 2.025 178.780 176.870 -0.192 0.000 1.072 375 L CA 1.717 56.484 54.840 -0.123 0.000 0.755 375 L CB -0.398 41.624 42.059 -0.062 0.000 0.889 375 L HN 0.142 nan 8.230 nan 0.000 0.432 376 L N -1.086 119.934 121.223 -0.340 0.000 2.027 376 L HA -0.183 4.157 4.340 -0.000 0.000 0.206 376 L C 2.469 179.030 176.870 -0.515 0.000 1.074 376 L CA 1.874 56.463 54.840 -0.418 0.000 0.745 376 L CB -1.050 40.717 42.059 -0.487 0.000 0.898 376 L HN 0.539 nan 8.230 nan 0.000 0.433 377 T N -5.358 108.740 114.554 -0.760 0.000 3.014 377 T HA -0.076 4.274 4.350 -0.000 0.000 0.263 377 T C 1.539 176.025 174.700 -0.356 0.000 1.078 377 T CA 1.157 62.672 62.100 -0.975 0.000 1.135 377 T CB -0.195 67.953 68.868 -1.200 0.000 0.895 377 T HN 0.422 nan 8.240 nan 0.000 0.480 378 T N -3.412 110.998 114.554 -0.240 0.000 2.975 378 T HA 0.538 4.888 4.350 -0.000 0.000 0.261 378 T C 1.814 176.465 174.700 -0.081 0.000 0.984 378 T CA 0.728 62.752 62.100 -0.127 0.000 0.911 378 T CB 0.151 68.951 68.868 -0.113 0.000 1.127 378 T HN 0.883 nan 8.240 nan 0.000 0.514 379 G N 2.183 110.943 108.800 -0.066 0.000 2.195 379 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.246 379 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.246 379 G C 0.059 174.973 174.900 0.024 0.000 0.984 379 G CA 0.131 45.229 45.100 -0.004 0.000 0.633 379 G HN 1.015 nan 8.290 nan 0.000 0.525 380 R N -1.068 119.425 120.500 -0.012 0.000 2.710 380 R HA 0.775 5.115 4.340 -0.000 0.000 0.270 380 R C -0.623 175.657 176.300 -0.033 0.000 1.021 380 R CA -0.098 56.002 56.100 0.000 0.000 0.889 380 R CB 0.892 31.203 30.300 0.018 0.000 1.243 380 R HN 0.585 nan 8.270 nan 0.000 0.464 381 S N -0.069 115.620 115.700 -0.019 0.000 2.554 381 S HA 0.159 4.629 4.470 -0.000 0.000 0.278 381 S C 0.326 174.904 174.600 -0.038 0.000 1.242 381 S CA -0.666 57.515 58.200 -0.031 0.000 1.051 381 S CB 1.045 64.251 63.200 0.008 0.000 0.986 381 S HN 0.669 nan 8.310 nan 0.000 0.502 382 E N 2.445 122.609 120.200 -0.059 0.000 2.418 382 E HA 0.020 4.370 4.350 -0.000 0.000 0.197 382 E C 0.120 176.673 176.600 -0.079 0.000 1.026 382 E CA 0.619 56.976 56.400 -0.071 0.000 0.862 382 E CB -0.102 29.546 29.700 -0.087 0.000 0.799 382 E HN 0.554 nan 8.360 nan 0.000 0.518 383 T N 1.311 115.835 114.554 -0.050 0.000 2.829 383 T HA 0.137 4.487 4.350 -0.000 0.000 0.280 383 T C -0.470 174.183 174.700 -0.079 0.000 0.999 383 T CA -0.893 61.158 62.100 -0.082 0.000 0.983 383 T CB 1.868 70.726 68.868 -0.017 0.000 0.968 383 T HN -0.077 nan 8.240 nan 0.000 0.446 384 D N 2.335 122.649 120.400 -0.143 0.000 2.472 384 D HA -0.019 4.621 4.640 -0.000 0.000 0.248 384 D C 0.442 176.699 176.300 -0.072 0.000 1.174 384 D CA 0.191 54.127 54.000 -0.107 0.000 0.883 384 D CB 0.338 41.032 40.800 -0.177 0.000 1.149 384 D HN 0.421 nan 8.370 nan 0.000 0.488 385 L N 3.669 124.905 121.223 0.022 0.000 2.741 385 L HA 0.284 4.624 4.340 -0.000 0.000 0.237 385 L C 2.243 179.160 176.870 0.077 0.000 1.178 385 L CA -0.167 54.708 54.840 0.058 0.000 0.973 385 L CB 0.112 42.234 42.059 0.104 0.000 1.255 385 L HN 0.642 nan 8.230 nan 0.000 0.498 386 G N 0.747 109.602 108.800 0.090 0.000 2.505 386 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.220 386 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.220 386 G C 1.373 176.317 174.900 0.074 0.000 1.145 386 G CA 1.345 46.545 45.100 0.167 0.000 0.761 386 G HN 0.535 nan 8.290 nan 0.000 0.571 387 E N -1.095 119.106 120.200 0.003 0.000 2.479 387 E HA 0.245 4.595 4.350 -0.000 0.000 0.193 387 E C 1.824 178.432 176.600 0.013 0.000 1.049 387 E CA 0.830 57.222 56.400 -0.013 0.000 0.870 387 E CB -0.655 29.018 29.700 -0.045 0.000 0.944 387 E HN 0.511 nan 8.360 nan 0.000 0.492 388 C N 0.476 119.806 119.300 0.050 0.000 3.188 388 C HA 0.224 4.684 4.460 -0.000 0.000 0.315 388 C C 0.908 175.971 174.990 0.122 0.000 1.285 388 C CA -0.839 58.243 59.018 0.106 0.000 1.729 388 C CB 0.083 27.915 27.740 0.153 0.000 2.257 388 C HN 0.561 nan 8.230 nan 0.000 0.645 389 D N 1.592 122.050 120.400 0.097 0.000 2.458 389 D HA 0.005 4.644 4.640 -0.000 0.000 0.243 389 D C 0.913 177.290 176.300 0.128 0.000 1.146 389 D CA 0.211 54.276 54.000 0.109 0.000 0.877 389 D CB 0.626 41.479 40.800 0.089 0.000 1.176 389 D HN 0.364 nan 8.370 nan 0.000 0.461 390 I N 3.236 123.911 120.570 0.174 0.000 2.423 390 I HA -0.268 3.901 4.170 -0.000 0.000 0.254 390 I C 1.966 178.234 176.117 0.251 0.000 1.151 390 I CA 1.613 63.063 61.300 0.249 0.000 1.421 390 I CB 0.071 38.193 38.000 0.202 0.000 1.079 390 I HN 0.491 nan 8.210 nan 0.000 0.431 391 T N -1.686 112.956 114.554 0.147 0.000 3.129 391 T HA 0.003 4.353 4.350 -0.000 0.000 0.251 391 T C 1.780 176.523 174.700 0.072 0.000 1.117 391 T CA 0.286 62.458 62.100 0.121 0.000 1.034 391 T CB -0.620 68.299 68.868 0.084 0.000 0.968 391 T HN 0.572 nan 8.240 nan 0.000 0.526 392 R N 0.043 120.534 120.500 -0.014 0.000 2.237 392 R HA 0.094 4.434 4.340 -0.000 0.000 0.219 392 R C -0.084 176.093 176.300 -0.205 0.000 1.080 392 R CA 0.341 56.351 56.100 -0.150 0.000 0.995 392 R CB -0.714 29.413 30.300 -0.289 0.000 0.875 392 R HN 0.376 nan 8.270 nan 0.000 0.462 393 F N 2.405 122.389 119.950 0.056 0.000 2.399 393 F HA 0.190 4.717 4.527 -0.000 0.000 0.342 393 F C 0.975 176.771 175.800 -0.007 0.000 1.106 393 F CA -0.727 57.285 58.000 0.020 0.000 1.196 393 F CB 0.761 39.764 39.000 0.005 0.000 1.163 393 F HN -0.119 nan 8.300 nan 0.000 0.547 394 E N 1.523 121.804 120.200 0.134 0.000 2.349 394 E HA 0.019 4.369 4.350 -0.000 0.000 0.262 394 E C 0.380 176.966 176.600 -0.024 0.000 1.088 394 E CA -0.146 56.276 56.400 0.036 0.000 0.899 394 E CB 0.680 30.372 29.700 -0.014 0.000 1.044 394 E HN 0.570 nan 8.360 nan 0.000 0.420 395 D N 0.726 121.098 120.400 -0.047 0.000 2.133 395 D HA -0.157 4.482 4.640 -0.000 0.000 0.195 395 D C 1.817 178.032 176.300 -0.142 0.000 0.997 395 D CA 1.548 55.504 54.000 -0.073 0.000 0.840 395 D CB -0.178 40.584 40.800 -0.063 0.000 0.947 395 D HN 0.343 nan 8.370 nan 0.000 0.452 396 V N -0.955 118.839 119.914 -0.200 0.000 2.867 396 V HA -0.169 3.951 4.120 -0.000 0.000 0.260 396 V C 1.522 177.334 176.094 -0.471 0.000 1.099 396 V CA 1.296 63.442 62.300 -0.257 0.000 1.122 396 V CB -0.874 30.793 31.823 -0.261 0.000 0.708 396 V HN 0.125 nan 8.190 nan 0.000 0.490 397 Q N -0.161 119.306 119.800 -0.556 0.000 2.365 397 Q HA 0.370 4.710 4.340 -0.000 0.000 0.203 397 Q C 1.454 177.175 176.000 -0.465 0.000 0.929 397 Q CA 0.311 55.486 55.803 -1.047 0.000 0.948 397 Q CB 0.286 28.683 28.738 -0.569 0.000 1.043 397 Q HN 0.609 nan 8.270 nan 0.000 0.505 398 L N 0.323 121.395 121.223 -0.251 0.000 2.766 398 L HA 0.135 4.474 4.340 -0.000 0.000 0.242 398 L C 0.808 177.631 176.870 -0.077 0.000 1.136 398 L CA -0.177 54.573 54.840 -0.149 0.000 0.933 398 L CB 0.530 42.534 42.059 -0.092 0.000 1.241 398 L HN 0.118 nan 8.230 nan 0.000 0.522 399 T N -3.461 111.064 114.554 -0.049 0.000 2.918 399 T HA 0.147 4.497 4.350 -0.000 0.000 0.302 399 T C -1.697 173.016 174.700 0.021 0.000 1.045 399 T CA -1.363 60.732 62.100 -0.008 0.000 1.114 399 T CB 1.147 70.017 68.868 0.003 0.000 0.965 399 T HN -0.172 nan 8.240 nan 0.000 0.540 400 P HA -0.118 nan 4.420 nan 0.000 0.216 400 P C 1.172 178.478 177.300 0.010 0.000 1.150 400 P CA 1.176 64.276 63.100 0.001 0.000 0.843 400 P CB 0.066 31.761 31.700 -0.008 0.000 0.787 401 E N -2.029 118.183 120.200 0.018 0.000 2.106 401 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 401 E C 1.962 178.576 176.600 0.024 0.000 0.984 401 E CA 0.901 57.306 56.400 0.010 0.000 0.806 401 E CB -1.131 28.572 29.700 0.005 0.000 0.750 401 E HN 0.349 nan 8.360 nan 0.000 0.458 402 Y N 0.872 121.139 120.300 -0.054 0.000 2.145 402 Y HA -0.253 4.296 4.550 -0.000 0.000 0.286 402 Y C 2.088 177.955 175.900 -0.055 0.000 1.145 402 Y CA 1.313 59.382 58.100 -0.052 0.000 1.148 402 Y CB -0.177 38.251 38.460 -0.053 0.000 0.981 402 Y HN -0.130 nan 8.280 nan 0.000 0.507 403 V N -0.739 119.254 119.914 0.132 0.000 2.343 403 V HA -0.308 3.812 4.120 -0.000 0.000 0.247 403 V C 2.619 178.684 176.094 -0.048 0.000 1.051 403 V CA 2.052 64.375 62.300 0.038 0.000 1.036 403 V CB -1.087 30.737 31.823 0.002 0.000 0.654 403 V HN 0.531 nan 8.190 nan 0.000 0.451 404 S N -0.544 115.125 115.700 -0.051 0.000 2.348 404 S HA -0.293 4.176 4.470 -0.000 0.000 0.221 404 S C 2.124 176.661 174.600 -0.105 0.000 1.033 404 S CA 2.252 60.409 58.200 -0.072 0.000 1.010 404 S CB -0.291 62.873 63.200 -0.059 0.000 0.891 404 S HN 0.740 nan 8.310 nan 0.000 0.442 405 E N -0.294 119.828 120.200 -0.131 0.000 2.047 405 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 405 E C 2.100 178.586 176.600 -0.190 0.000 0.987 405 E CA 1.770 58.078 56.400 -0.152 0.000 0.799 405 E CB -0.380 29.224 29.700 -0.161 0.000 0.752 405 E HN 0.810 nan 8.360 nan 0.000 0.449 406 T N -1.827 112.553 114.554 -0.289 0.000 2.904 406 T HA 0.011 4.361 4.350 -0.000 0.000 0.267 406 T C 2.099 176.723 174.700 -0.126 0.000 1.059 406 T CA 1.145 63.089 62.100 -0.260 0.000 1.137 406 T CB -0.134 68.481 68.868 -0.423 0.000 0.879 406 T HN -0.036 nan 8.240 nan 0.000 0.467 407 S N 1.625 117.268 115.700 -0.095 0.000 2.428 407 S HA -0.053 4.417 4.470 -0.000 0.000 0.230 407 S C 2.215 176.715 174.600 -0.166 0.000 1.014 407 S CA 0.771 58.947 58.200 -0.040 0.000 0.957 407 S CB -0.316 62.895 63.200 0.019 0.000 0.784 407 S HN 0.605 nan 8.310 nan 0.000 0.499 408 Q N 0.944 120.657 119.800 -0.146 0.000 2.046 408 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 408 Q C 2.365 178.305 176.000 -0.100 0.000 0.975 408 Q CA 1.130 56.849 55.803 -0.140 0.000 0.836 408 Q CB -0.198 28.475 28.738 -0.108 0.000 0.896 408 Q HN 0.560 nan 8.270 nan 0.000 0.428 409 Q N 0.539 120.281 119.800 -0.096 0.000 2.135 409 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 409 Q C 1.580 177.522 176.000 -0.097 0.000 0.981 409 Q CA 1.178 56.939 55.803 -0.071 0.000 0.856 409 Q CB 0.126 28.824 28.738 -0.067 0.000 0.902 409 Q HN 0.309 nan 8.270 nan 0.000 0.425 410 N N -0.152 118.465 118.700 -0.139 0.000 2.244 410 N HA -0.145 4.595 4.740 -0.000 0.000 0.183 410 N C 1.360 176.609 175.510 -0.436 0.000 1.016 410 N CA 0.907 53.875 53.050 -0.136 0.000 0.866 410 N CB -0.368 38.151 38.487 0.054 0.000 0.980 410 N HN 0.291 nan 8.380 nan 0.000 0.430 411 F N 1.516 120.869 119.950 -0.995 0.000 2.134 411 F HA -0.139 4.387 4.527 -0.000 0.000 0.299 411 F C 2.071 177.664 175.800 -0.347 0.000 1.097 411 F CA 0.931 58.381 58.000 -0.916 0.000 1.264 411 F CB -0.239 38.315 39.000 -0.744 0.000 1.001 411 F HN -0.221 nan 8.300 nan 0.000 0.479 412 V N 0.334 120.193 119.914 -0.090 0.000 2.490 412 V HA -0.278 3.842 4.120 -0.000 0.000 0.250 412 V C 1.603 177.613 176.094 -0.140 0.000 1.061 412 V CA 2.304 64.559 62.300 -0.075 0.000 1.064 412 V CB -0.628 31.209 31.823 0.024 0.000 0.670 412 V HN 0.395 nan 8.190 nan 0.000 0.461 413 E N -0.932 119.197 120.200 -0.119 0.000 2.476 413 E HA 0.195 4.545 4.350 -0.000 0.000 0.196 413 E C 1.850 178.440 176.600 -0.017 0.000 1.029 413 E CA -0.172 56.205 56.400 -0.038 0.000 0.896 413 E CB 0.300 30.010 29.700 0.017 0.000 1.012 413 E HN 0.553 nan 8.360 nan 0.000 0.475 414 I N 0.490 120.985 120.570 -0.126 0.000 2.248 414 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 414 I C 0.845 177.068 176.117 0.176 0.000 1.107 414 I CA 1.409 62.695 61.300 -0.023 0.000 1.373 414 I CB 0.194 38.030 38.000 -0.275 0.000 1.055 414 I HN 0.164 nan 8.210 nan 0.000 0.418 415 Y N 0.852 121.066 120.300 -0.145 0.000 2.607 415 Y HA 0.250 4.800 4.550 -0.000 0.000 0.266 415 Y C 0.015 175.903 175.900 -0.020 0.000 1.178 415 Y CA -1.240 56.816 58.100 -0.073 0.000 1.226 415 Y CB -0.590 37.843 38.460 -0.045 0.000 1.144 415 Y HN 0.112 nan 8.280 nan 0.000 0.528 416 D N -0.556 119.921 120.400 0.129 0.000 2.283 416 D HA 0.199 4.839 4.640 -0.000 0.000 0.248 416 D C -0.118 176.261 176.300 0.131 0.000 1.072 416 D CA -0.125 53.943 54.000 0.113 0.000 0.929 416 D CB 2.002 42.867 40.800 0.107 0.000 1.182 416 D HN -0.274 nan 8.370 nan 0.000 0.433 417 V N 2.833 122.834 119.914 0.146 0.000 2.470 417 V HA 0.212 4.332 4.120 -0.000 0.000 0.276 417 V C 0.242 176.530 176.094 0.323 0.000 1.040 417 V CA -0.076 62.351 62.300 0.212 0.000 1.008 417 V CB -0.118 31.818 31.823 0.190 0.000 0.990 417 V HN 0.267 nan 8.190 nan 0.000 0.477 418 L N 4.386 125.847 121.223 0.396 0.000 2.436 418 L HA 0.492 4.831 4.340 -0.000 0.000 0.268 418 L C -0.062 177.118 176.870 0.517 0.000 0.974 418 L CA -0.735 54.340 54.840 0.392 0.000 0.826 418 L CB 2.071 44.281 42.059 0.253 0.000 1.291 418 L HN 0.619 nan 8.230 nan 0.000 0.406 419 H N 4.874 124.085 119.070 0.235 0.000 2.815 419 H HA 0.096 4.651 4.556 -0.000 0.000 0.350 419 H C -1.755 173.639 175.328 0.110 0.000 1.080 419 H CA -0.913 55.097 56.048 -0.064 0.000 1.433 419 H CB 1.893 31.462 29.762 -0.323 0.000 1.432 419 H HN 0.362 nan 8.280 nan 0.000 0.592 420 P HA -0.087 nan 4.420 nan 0.000 0.225 420 P C 1.217 178.586 177.300 0.116 0.000 1.148 420 P CA 0.945 64.075 63.100 0.049 0.000 0.779 420 P CB 0.259 31.983 31.700 0.041 0.000 0.780 421 L N -1.528 119.876 121.223 0.300 0.000 2.640 421 L HA 0.177 4.517 4.340 -0.000 0.000 0.230 421 L C 1.043 177.604 176.870 -0.516 0.000 1.123 421 L CA -0.330 54.507 54.840 -0.005 0.000 0.900 421 L CB -0.411 41.702 42.059 0.091 0.000 1.146 421 L HN -0.079 nan 8.230 nan 0.000 0.484 422 Q N 3.282 122.853 119.800 -0.382 0.000 2.239 422 Q HA 0.072 4.412 4.340 -0.000 0.000 0.286 422 Q C -2.146 173.622 176.000 -0.387 0.000 1.102 422 Q CA -0.872 54.609 55.803 -0.536 0.000 0.936 422 Q CB 0.310 29.025 28.738 -0.038 0.000 1.127 422 Q HN 0.045 nan 8.270 nan 0.000 0.380 423 P HA 0.227 nan 4.420 nan 0.000 0.279 423 P C -0.838 176.397 177.300 -0.108 0.000 1.252 423 P CA -0.391 62.565 63.100 -0.239 0.000 0.811 423 P CB 0.956 32.494 31.700 -0.269 0.000 1.035 424 R N 0.831 121.293 120.500 -0.063 0.000 2.641 424 R HA 0.244 4.584 4.340 -0.000 0.000 0.269 424 R C 1.364 177.638 176.300 -0.043 0.000 1.074 424 R CA -0.509 55.567 56.100 -0.040 0.000 1.133 424 R CB 0.372 30.649 30.300 -0.038 0.000 1.029 424 R HN 0.504 nan 8.270 nan 0.000 0.488 425 L N -0.001 121.204 121.223 -0.030 0.000 2.446 425 L HA 0.080 4.420 4.340 -0.000 0.000 0.219 425 L C 0.753 177.600 176.870 -0.039 0.000 1.116 425 L CA 0.586 55.409 54.840 -0.028 0.000 0.844 425 L CB 0.198 42.252 42.059 -0.008 0.000 0.970 425 L HN 0.520 nan 8.230 nan 0.000 0.457 426 S N -0.556 115.114 115.700 -0.049 0.000 2.548 426 S HA 0.423 4.893 4.470 -0.000 0.000 0.278 426 S C -2.818 171.728 174.600 -0.090 0.000 1.150 426 S CA -0.936 57.229 58.200 -0.060 0.000 0.907 426 S CB 1.971 65.139 63.200 -0.053 0.000 1.108 426 S HN -0.198 nan 8.310 nan 0.000 0.459 427 P HA 0.490 nan 4.420 nan 0.000 0.280 427 P C -0.924 176.358 177.300 -0.030 0.000 1.244 427 P CA -0.555 62.512 63.100 -0.055 0.000 0.784 427 P CB 0.564 32.246 31.700 -0.030 0.000 0.913 428 R N 2.171 122.641 120.500 -0.050 0.000 2.939 428 R HA 0.382 4.721 4.340 -0.000 0.000 0.254 428 R C 0.480 176.715 176.300 -0.108 0.000 1.123 428 R CA -0.793 55.265 56.100 -0.071 0.000 1.020 428 R CB 0.407 30.657 30.300 -0.083 0.000 1.206 428 R HN 0.494 nan 8.270 nan 0.000 0.491 429 N N 0.480 119.082 118.700 -0.163 0.000 2.747 429 N HA -0.185 4.555 4.740 -0.000 0.000 0.249 429 N C 0.850 176.227 175.510 -0.221 0.000 1.107 429 N CA 0.578 53.483 53.050 -0.241 0.000 0.707 429 N CB -1.268 37.074 38.487 -0.241 0.000 1.054 429 N HN 0.482 nan 8.380 nan 0.000 0.555 430 L N -0.542 120.571 121.223 -0.182 0.000 2.044 430 L HA -0.018 4.321 4.340 -0.000 0.000 0.205 430 L C 0.955 177.654 176.870 -0.285 0.000 1.075 430 L CA 1.319 56.044 54.840 -0.191 0.000 0.747 430 L CB -0.011 41.959 42.059 -0.147 0.000 0.903 430 L HN 0.076 nan 8.230 nan 0.000 0.435 431 R N -0.120 120.166 120.500 -0.358 0.000 2.513 431 R HA 0.548 4.888 4.340 -0.000 0.000 0.301 431 R C -1.231 174.894 176.300 -0.292 0.000 0.968 431 R CA -0.406 55.375 56.100 -0.531 0.000 0.872 431 R CB 2.462 32.076 30.300 -1.144 0.000 1.177 431 R HN -0.074 nan 8.270 nan 0.000 0.444 432 V N -0.816 118.987 119.914 -0.186 0.000 2.962 432 V HA 0.676 4.796 4.120 -0.000 0.000 0.313 432 V C 0.177 176.386 176.094 0.191 0.000 1.099 432 V CA -0.969 61.332 62.300 0.002 0.000 0.971 432 V CB 1.969 33.561 31.823 -0.384 0.000 1.028 432 V HN 0.859 nan 8.190 nan 0.000 0.430 433 S N 1.748 117.588 115.700 0.234 0.000 2.655 433 S HA 0.530 5.000 4.470 -0.000 0.000 0.265 433 S C -1.866 172.595 174.600 -0.232 0.000 1.240 433 S CA -0.853 57.338 58.200 -0.015 0.000 0.986 433 S CB 0.741 63.831 63.200 -0.182 0.000 0.985 433 S HN 0.726 nan 8.310 nan 0.000 0.562 434 P HA 0.123 nan 4.420 nan 0.000 0.239 434 P C 0.138 177.218 177.300 -0.367 0.000 1.184 434 P CA 0.788 63.638 63.100 -0.416 0.000 0.760 434 P CB -0.260 31.196 31.700 -0.407 0.000 0.884 435 F N -3.084 116.708 119.950 -0.264 0.000 2.693 435 F HA 0.129 4.656 4.527 -0.000 0.000 0.303 435 F C 2.368 177.712 175.800 -0.760 0.000 1.097 435 F CA -0.393 57.160 58.000 -0.746 0.000 1.330 435 F CB -0.640 37.620 39.000 -1.234 0.000 1.067 435 F HN 0.072 nan 8.300 nan 0.000 0.565 436 H N 1.462 120.382 119.070 -0.249 0.000 2.319 436 H HA -0.177 4.378 4.556 -0.000 0.000 0.299 436 H C 2.214 177.517 175.328 -0.042 0.000 1.092 436 H CA 1.685 57.707 56.048 -0.044 0.000 1.302 436 H CB 0.130 29.865 29.762 -0.044 0.000 1.373 436 H HN 0.319 nan 8.280 nan 0.000 0.497 437 A N 1.527 124.296 122.820 -0.085 0.000 1.940 437 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 437 A C 2.496 179.963 177.584 -0.195 0.000 1.176 437 A CA 1.211 53.182 52.037 -0.109 0.000 0.631 437 A CB -0.286 18.680 19.000 -0.056 0.000 0.814 437 A HN 0.314 nan 8.150 nan 0.000 0.446 438 R N -0.873 119.415 120.500 -0.354 0.000 2.090 438 R HA -0.048 4.291 4.340 -0.000 0.000 0.228 438 R C 1.904 177.995 176.300 -0.348 0.000 1.110 438 R CA 1.324 57.146 56.100 -0.464 0.000 0.973 438 R CB -0.955 28.796 30.300 -0.915 0.000 0.869 438 R HN 0.657 nan 8.270 nan 0.000 0.440 439 H N 1.040 119.918 119.070 -0.319 0.000 2.387 439 H HA 0.000 4.556 4.556 -0.000 0.000 0.299 439 H C 1.914 177.217 175.328 -0.041 0.000 1.090 439 H CA 1.147 57.160 56.048 -0.059 0.000 1.332 439 H CB 0.091 29.885 29.762 0.053 0.000 1.386 439 H HN 0.137 nan 8.280 nan 0.000 0.516 440 K N 0.620 121.027 120.400 0.010 0.000 2.057 440 K HA -0.122 4.197 4.320 -0.000 0.000 0.206 440 K C 2.151 178.766 176.600 0.024 0.000 1.050 440 K CA 1.148 57.446 56.287 0.018 0.000 0.935 440 K CB 0.058 32.538 32.500 -0.033 0.000 0.715 440 K HN 0.343 nan 8.250 nan 0.000 0.439 441 E N 0.646 120.837 120.200 -0.016 0.000 2.130 441 E HA -0.184 4.165 4.350 -0.000 0.000 0.196 441 E C 1.371 177.993 176.600 0.037 0.000 0.998 441 E CA 1.021 57.418 56.400 -0.005 0.000 0.806 441 E CB -0.025 29.645 29.700 -0.051 0.000 0.738 441 E HN 0.235 nan 8.360 nan 0.000 0.459 442 L N -0.382 120.877 121.223 0.060 0.000 2.627 442 L HA 0.187 4.527 4.340 -0.000 0.000 0.232 442 L C 0.972 177.982 176.870 0.234 0.000 1.150 442 L CA 0.082 55.006 54.840 0.140 0.000 0.917 442 L CB 0.037 42.149 42.059 0.089 0.000 1.104 442 L HN 0.228 nan 8.230 nan 0.000 0.445 443 G N 0.840 109.726 108.800 0.144 0.000 2.246 443 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.273 443 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.273 443 G C 0.439 175.334 174.900 -0.008 0.000 1.055 443 G CA 0.049 45.211 45.100 0.104 0.000 0.851 443 G HN 0.526 nan 8.290 nan 0.000 0.500 444 A N -0.347 122.350 122.820 -0.205 0.000 2.567 444 A HA 0.457 4.776 4.320 -0.000 0.000 0.240 444 A C 0.133 177.268 177.584 -0.747 0.000 1.053 444 A CA 0.464 51.977 52.037 -0.873 0.000 0.755 444 A CB 0.185 18.362 19.000 -1.373 0.000 0.978 444 A HN 1.530 nan 8.150 nan 0.000 0.507 445 F N 3.634 122.983 119.950 -1.002 0.000 2.361 445 F HA 0.607 5.134 4.527 -0.000 0.000 0.364 445 F C -0.908 174.427 175.800 -0.774 0.000 1.120 445 F CA -0.866 56.640 58.000 -0.822 0.000 1.102 445 F CB 0.373 38.604 39.000 -1.281 0.000 1.183 445 F HN 0.449 nan 8.300 nan 0.000 0.476 446 F N 6.842 126.375 119.950 -0.695 0.000 2.420 446 F HA 0.533 5.060 4.527 -0.000 0.000 0.342 446 F C -0.294 175.196 175.800 -0.517 0.000 1.113 446 F CA -0.589 57.158 58.000 -0.421 0.000 1.059 446 F CB 1.216 40.071 39.000 -0.241 0.000 1.128 446 F HN 0.262 nan 8.300 nan 0.000 0.475 447 L N 1.899 123.069 121.223 -0.088 0.000 2.298 447 L HA 0.643 4.983 4.340 -0.000 0.000 0.268 447 L C -0.823 176.081 176.870 0.055 0.000 1.010 447 L CA -1.103 53.637 54.840 -0.166 0.000 0.812 447 L CB 2.045 43.835 42.059 -0.448 0.000 1.331 447 L HN 0.537 nan 8.230 nan 0.000 0.450 448 E N 0.614 120.833 120.200 0.031 0.000 2.343 448 E HA 0.832 5.182 4.350 -0.000 0.000 0.270 448 E C -1.603 175.085 176.600 0.146 0.000 0.895 448 E CA -0.802 55.668 56.400 0.118 0.000 0.767 448 E CB 2.250 31.994 29.700 0.074 0.000 1.248 448 E HN 0.695 nan 8.360 nan 0.000 0.440 449 A N 0.978 123.924 122.820 0.211 0.000 2.566 449 A HA 0.687 5.006 4.320 -0.000 0.000 0.297 449 A C 0.542 178.279 177.584 0.256 0.000 1.059 449 A CA -0.362 51.801 52.037 0.210 0.000 0.691 449 A CB 0.944 20.075 19.000 0.218 0.000 1.282 449 A HN 1.821 nan 8.150 nan 0.000 0.401 450 G N 0.293 109.211 108.800 0.196 0.000 2.153 450 G HA2 0.171 4.131 3.960 -0.000 0.000 0.252 450 G HA3 0.171 4.131 3.960 -0.000 0.000 0.252 450 G C 1.768 176.676 174.900 0.014 0.000 0.994 450 G CA 1.465 46.665 45.100 0.166 0.000 0.698 450 G HN 2.937 nan 8.290 nan 0.000 0.521 451 G N -2.188 106.617 108.800 0.009 0.000 2.234 451 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.260 451 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.260 451 G C 0.513 175.329 174.900 -0.139 0.000 0.987 451 G CA 0.672 45.707 45.100 -0.108 0.000 0.625 451 G HN 1.192 nan 8.290 nan 0.000 0.532 452 W N 2.052 123.363 121.300 0.019 0.000 2.272 452 W HA 0.596 5.256 4.660 -0.000 0.000 0.318 452 W C 0.475 177.011 176.519 0.028 0.000 1.255 452 W CA -0.716 56.639 57.345 0.016 0.000 1.200 452 W CB 0.672 30.163 29.460 0.052 0.000 1.170 452 W HN -0.037 nan 8.180 nan 0.000 0.549 453 E N 3.679 124.026 120.200 0.246 0.000 2.290 453 E HA 0.214 4.563 4.350 -0.000 0.000 0.277 453 E C -0.327 176.521 176.600 0.414 0.000 1.035 453 E CA -0.231 56.276 56.400 0.178 0.000 0.873 453 E CB 0.774 30.340 29.700 -0.225 0.000 1.029 453 E HN 0.385 nan 8.360 nan 0.000 0.419 454 R N 3.659 124.435 120.500 0.460 0.000 2.476 454 R HA 0.355 4.694 4.340 -0.000 0.000 0.305 454 R C -2.546 173.893 176.300 0.231 0.000 0.965 454 R CA -2.010 54.302 56.100 0.354 0.000 0.867 454 R CB 1.770 32.238 30.300 0.280 0.000 1.176 454 R HN 0.192 nan 8.270 nan 0.000 0.447 455 P HA 0.005 nan 4.420 nan 0.000 0.271 455 P C -0.468 176.663 177.300 -0.281 0.000 1.220 455 P CA 0.028 62.733 63.100 -0.658 0.000 0.768 455 P CB 0.445 31.385 31.700 -1.266 0.000 0.848 456 Y N 2.225 122.272 120.300 -0.421 0.000 2.476 456 Y HA 0.166 4.716 4.550 -0.000 0.000 0.283 456 Y C 0.525 176.487 175.900 0.104 0.000 1.109 456 Y CA 0.917 58.960 58.100 -0.095 0.000 1.246 456 Y CB 0.138 38.590 38.460 -0.013 0.000 1.068 456 Y HN 0.526 nan 8.280 nan 0.000 0.552 457 W N -3.589 117.682 121.300 -0.048 0.000 2.926 457 W HA 0.556 5.215 4.660 -0.000 0.000 0.361 457 W C -2.330 173.991 176.519 -0.329 0.000 1.195 457 W CA -2.040 55.263 57.345 -0.071 0.000 1.177 457 W CB -0.009 29.471 29.460 0.033 0.000 1.453 457 W HN -0.335 nan 8.180 nan 0.000 0.571 458 F N 1.807 121.936 119.950 0.298 0.000 2.507 458 F HA 0.374 4.901 4.527 -0.000 0.000 0.328 458 F C 1.331 177.277 175.800 0.243 0.000 1.136 458 F CA -0.853 57.233 58.000 0.143 0.000 0.930 458 F CB 2.238 41.273 39.000 0.059 0.000 1.166 458 F HN 0.607 nan 8.300 nan 0.000 0.436 459 E N 1.962 122.377 120.200 0.360 0.000 2.160 459 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 459 E C 2.122 178.851 176.600 0.215 0.000 0.991 459 E CA 1.269 57.837 56.400 0.279 0.000 0.810 459 E CB 0.054 29.885 29.700 0.218 0.000 0.742 459 E HN 0.785 nan 8.360 nan 0.000 0.466 460 A N 1.679 124.635 122.820 0.227 0.000 1.986 460 A HA -0.223 4.096 4.320 -0.000 0.000 0.220 460 A C 1.712 179.390 177.584 0.156 0.000 1.171 460 A CA 1.443 53.587 52.037 0.177 0.000 0.640 460 A CB -0.347 18.763 19.000 0.183 0.000 0.811 460 A HN 0.168 nan 8.150 nan 0.000 0.451 461 N N -0.105 118.705 118.700 0.183 0.000 2.461 461 N HA 0.112 4.851 4.740 -0.000 0.000 0.188 461 N C 1.590 177.160 175.510 0.100 0.000 1.134 461 N CA 0.871 54.001 53.050 0.133 0.000 0.878 461 N CB -0.247 38.327 38.487 0.145 0.000 0.972 461 N HN 0.494 nan 8.380 nan 0.000 0.456 462 A N 1.145 124.022 122.820 0.095 0.000 1.978 462 A HA -0.053 4.267 4.320 -0.000 0.000 0.220 462 A C 2.311 179.923 177.584 0.047 0.000 1.170 462 A CA 1.656 53.722 52.037 0.049 0.000 0.636 462 A CB -0.550 18.475 19.000 0.042 0.000 0.810 462 A HN 0.276 nan 8.150 nan 0.000 0.448 463 A N -0.480 122.377 122.820 0.062 0.000 2.076 463 A HA 0.007 4.327 4.320 -0.000 0.000 0.220 463 A C 1.938 179.561 177.584 0.065 0.000 1.160 463 A CA 1.311 53.381 52.037 0.055 0.000 0.653 463 A CB -0.513 18.521 19.000 0.057 0.000 0.801 463 A HN 0.501 nan 8.150 nan 0.000 0.455 464 L N -0.906 120.369 121.223 0.087 0.000 2.492 464 L HA 0.019 4.358 4.340 -0.000 0.000 0.223 464 L C 2.017 178.973 176.870 0.144 0.000 1.132 464 L CA 0.095 55.025 54.840 0.150 0.000 0.850 464 L CB -0.272 41.901 42.059 0.189 0.000 0.966 464 L HN 0.365 nan 8.230 nan 0.000 0.454 465 L N 0.324 121.583 121.223 0.060 0.000 2.141 465 L HA -0.183 4.156 4.340 -0.000 0.000 0.209 465 L C 2.680 179.532 176.870 -0.030 0.000 1.094 465 L CA 1.170 56.010 54.840 -0.000 0.000 0.763 465 L CB -0.459 41.583 42.059 -0.028 0.000 0.908 465 L HN 0.349 nan 8.230 nan 0.000 0.437 466 K N 0.102 120.500 120.400 -0.005 0.000 2.211 466 K HA -0.116 4.204 4.320 -0.000 0.000 0.203 466 K C 1.762 178.348 176.600 -0.023 0.000 1.050 466 K CA 1.530 57.807 56.287 -0.015 0.000 0.945 466 K CB -0.379 32.121 32.500 0.000 0.000 0.732 466 K HN 0.340 nan 8.250 nan 0.000 0.451 467 E N 1.789 121.994 120.200 0.008 0.000 2.478 467 E HA 0.104 4.454 4.350 -0.000 0.000 0.194 467 E C 0.733 177.232 176.600 -0.168 0.000 1.045 467 E CA 0.092 56.507 56.400 0.026 0.000 0.868 467 E CB -0.273 29.535 29.700 0.181 0.000 0.885 467 E HN 0.418 nan 8.360 nan 0.000 0.505 468 M N 1.480 120.849 119.600 -0.385 0.000 2.228 468 M HA 0.273 4.753 4.480 -0.000 0.000 0.351 468 M C -2.428 173.512 176.300 -0.600 0.000 1.233 468 M CA -1.928 52.770 55.300 -1.003 0.000 1.129 468 M CB 1.147 33.324 32.600 -0.705 0.000 1.604 468 M HN -0.082 nan 8.290 nan 0.000 0.457 469 P HA 0.051 nan 4.420 nan 0.000 0.265 469 P C -0.328 176.916 177.300 -0.092 0.000 1.193 469 P CA 0.042 63.036 63.100 -0.176 0.000 0.765 469 P CB 0.635 32.334 31.700 -0.002 0.000 0.823 470 A N 4.291 127.069 122.820 -0.069 0.000 1.958 470 A HA -0.244 4.076 4.320 -0.000 0.000 0.221 470 A C 1.815 179.375 177.584 -0.040 0.000 1.178 470 A CA 1.759 53.765 52.037 -0.051 0.000 0.642 470 A CB -0.966 18.007 19.000 -0.045 0.000 0.816 470 A HN 0.704 nan 8.150 nan 0.000 0.453 471 E N -1.332 118.824 120.200 -0.074 0.000 2.396 471 E HA -0.235 4.115 4.350 -0.000 0.000 0.200 471 E C 1.364 177.842 176.600 -0.202 0.000 1.023 471 E CA 1.138 57.441 56.400 -0.163 0.000 0.857 471 E CB -0.454 29.092 29.700 -0.256 0.000 0.775 471 E HN 0.893 nan 8.360 nan 0.000 0.525 472 W N 0.605 121.850 121.300 -0.092 0.000 3.114 472 W HA 0.259 4.918 4.660 -0.000 0.000 0.279 472 W C 0.444 176.963 176.519 -0.001 0.000 1.277 472 W CA -0.844 56.476 57.345 -0.042 0.000 1.630 472 W CB 0.319 29.660 29.460 -0.199 0.000 1.087 472 W HN -0.040 nan 8.180 nan 0.000 0.637 473 L N 4.659 125.958 121.223 0.127 0.000 2.433 473 L HA 0.224 4.564 4.340 -0.000 0.000 0.275 473 L C -1.566 175.332 176.870 0.047 0.000 1.128 473 L CA -1.896 52.977 54.840 0.055 0.000 0.875 473 L CB -0.222 41.832 42.059 -0.009 0.000 1.171 473 L HN -0.261 nan 8.230 nan 0.000 0.463 474 P HA 0.377 nan 4.420 nan 0.000 0.276 474 P C -2.697 174.500 177.300 -0.171 0.000 1.244 474 P CA -1.305 61.692 63.100 -0.171 0.000 0.801 474 P CB -0.148 31.356 31.700 -0.328 0.000 1.006 475 P HA 0.152 nan 4.420 nan 0.000 0.273 475 P C -0.303 176.917 177.300 -0.133 0.000 1.250 475 P CA -0.295 62.732 63.100 -0.122 0.000 0.793 475 P CB 0.168 31.823 31.700 -0.074 0.000 1.011 476 A N 1.974 124.744 122.820 -0.084 0.000 2.555 476 A HA 0.083 4.403 4.320 -0.000 0.000 0.233 476 A C 0.521 178.066 177.584 -0.065 0.000 1.060 476 A CA 0.260 52.254 52.037 -0.072 0.000 0.759 476 A CB -0.330 18.642 19.000 -0.047 0.000 0.995 476 A HN 0.485 nan 8.150 nan 0.000 0.506 477 R N 0.758 121.225 120.500 -0.054 0.000 2.604 477 R HA 0.299 4.639 4.340 -0.000 0.000 0.287 477 R C -0.431 175.876 176.300 0.012 0.000 0.970 477 R CA -0.759 55.330 56.100 -0.018 0.000 0.946 477 R CB 1.208 31.496 30.300 -0.020 0.000 1.127 477 R HN 0.943 nan 8.270 nan 0.000 0.473 478 D N 1.460 121.897 120.400 0.061 0.000 2.369 478 D HA -0.026 4.614 4.640 -0.000 0.000 0.241 478 D C 0.716 177.070 176.300 0.089 0.000 1.271 478 D CA -0.121 53.928 54.000 0.082 0.000 0.942 478 D CB 0.605 41.487 40.800 0.137 0.000 1.129 478 D HN 0.478 nan 8.370 nan 0.000 0.476 479 A N 0.348 123.215 122.820 0.079 0.000 1.930 479 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 479 A C 2.055 179.727 177.584 0.147 0.000 1.175 479 A CA 1.012 53.091 52.037 0.071 0.000 0.627 479 A CB -1.122 17.912 19.000 0.058 0.000 0.815 479 A HN 0.804 nan 8.150 nan 0.000 0.443 480 W N 1.517 122.836 121.300 0.031 0.000 2.378 480 W HA -0.190 4.470 4.660 -0.000 0.000 0.313 480 W C 2.490 179.206 176.519 0.329 0.000 1.197 480 W CA 2.214 59.663 57.345 0.172 0.000 1.304 480 W CB -0.319 29.187 29.460 0.077 0.000 1.148 480 W HN 0.502 nan 8.180 nan 0.000 0.494 481 S N -0.068 115.896 115.700 0.439 0.000 2.507 481 S HA -0.032 4.438 4.470 -0.000 0.000 0.235 481 S C 1.793 176.478 174.600 0.142 0.000 0.988 481 S CA 1.204 59.599 58.200 0.326 0.000 0.944 481 S CB -0.751 62.625 63.200 0.294 0.000 0.762 481 S HN 0.217 nan 8.310 nan 0.000 0.526 482 G N 0.697 109.524 108.800 0.046 0.000 2.712 482 G HA2 0.273 4.232 3.960 -0.000 0.000 0.212 482 G HA3 0.273 4.232 3.960 -0.000 0.000 0.212 482 G C 0.440 175.227 174.900 -0.189 0.000 1.142 482 G CA -0.426 44.637 45.100 -0.062 0.000 0.789 482 G HN 0.472 nan 8.290 nan 0.000 0.535 483 M N 0.212 119.623 119.600 -0.315 0.000 2.239 483 M HA 0.293 4.773 4.480 -0.000 0.000 0.348 483 M C -0.077 175.920 176.300 -0.504 0.000 1.239 483 M CA 0.095 54.999 55.300 -0.660 0.000 1.114 483 M CB 0.044 32.059 32.600 -0.975 0.000 1.641 483 M HN 0.231 nan 8.290 nan 0.000 0.453 484 F N -0.111 119.768 119.950 -0.119 0.000 3.067 484 F HA -0.264 4.263 4.527 -0.000 0.000 0.279 484 F C 0.376 176.353 175.800 0.294 0.000 0.945 484 F CA 0.421 58.497 58.000 0.126 0.000 0.948 484 F CB -1.836 37.183 39.000 0.032 0.000 0.898 484 F HN 0.624 nan 8.300 nan 0.000 0.746 485 S N -0.595 115.189 115.700 0.139 0.000 2.588 485 S HA 0.838 5.307 4.470 -0.000 0.000 0.275 485 S C -0.766 173.419 174.600 -0.691 0.000 1.130 485 S CA 0.128 58.277 58.200 -0.084 0.000 0.855 485 S CB 2.359 65.561 63.200 0.003 0.000 1.116 485 S HN 0.482 nan 8.310 nan 0.000 0.472 486 S N 2.013 117.130 115.700 -0.970 0.000 2.536 486 S HA 0.622 5.091 4.470 -0.000 0.000 0.271 486 S C -2.390 171.859 174.600 -0.586 0.000 1.134 486 S CA -1.257 56.322 58.200 -1.035 0.000 0.897 486 S CB 1.460 63.435 63.200 -2.042 0.000 1.094 486 S HN 0.487 nan 8.310 nan 0.000 0.473 487 P HA -0.030 nan 4.420 nan 0.000 0.220 487 P C 1.245 178.370 177.300 -0.292 0.000 1.144 487 P CA 1.018 63.960 63.100 -0.264 0.000 0.800 487 P CB -0.070 31.508 31.700 -0.203 0.000 0.772 488 I N -0.648 119.687 120.570 -0.391 0.000 2.423 488 I HA -0.270 3.900 4.170 -0.000 0.000 0.254 488 I C 2.239 178.239 176.117 -0.194 0.000 1.151 488 I CA 1.339 62.482 61.300 -0.261 0.000 1.421 488 I CB -0.689 37.154 38.000 -0.261 0.000 1.079 488 I HN -0.058 nan 8.210 nan 0.000 0.431 489 A N 0.683 123.346 122.820 -0.263 0.000 2.019 489 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 489 A C 2.557 179.822 177.584 -0.532 0.000 1.164 489 A CA 1.612 53.541 52.037 -0.179 0.000 0.644 489 A CB -0.616 18.379 19.000 -0.008 0.000 0.805 489 A HN 0.431 nan 8.150 nan 0.000 0.449 490 A N 0.072 122.453 122.820 -0.732 0.000 1.877 490 A HA 0.143 4.463 4.320 -0.000 0.000 0.216 490 A C 2.513 179.946 177.584 -0.252 0.000 1.186 490 A CA 2.055 53.613 52.037 -0.799 0.000 0.620 490 A CB -1.045 17.771 19.000 -0.306 0.000 0.822 490 A HN 1.046 nan 8.150 nan 0.000 0.443 491 A N -0.137 122.615 122.820 -0.113 0.000 1.902 491 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 491 A C 1.901 179.505 177.584 0.033 0.000 1.181 491 A CA 1.652 53.742 52.037 0.089 0.000 0.623 491 A CB -0.542 18.528 19.000 0.116 0.000 0.818 491 A HN 0.656 nan 8.150 nan 0.000 0.443 492 E N -0.273 119.913 120.200 -0.024 0.000 2.150 492 E HA -0.048 4.302 4.350 -0.000 0.000 0.193 492 E C 2.250 178.852 176.600 0.003 0.000 0.985 492 E CA 0.765 57.161 56.400 -0.006 0.000 0.814 492 E CB -0.238 29.508 29.700 0.078 0.000 0.752 492 E HN 0.635 nan 8.360 nan 0.000 0.466 493 A N 1.269 124.085 122.820 -0.007 0.000 1.872 493 A HA -0.166 4.154 4.320 -0.000 0.000 0.214 493 A C 1.876 179.387 177.584 -0.121 0.000 1.187 493 A CA 1.088 53.168 52.037 0.072 0.000 0.614 493 A CB -0.967 18.159 19.000 0.209 0.000 0.826 493 A HN 0.489 nan 8.150 nan 0.000 0.442 494 W N 1.318 122.236 121.300 -0.637 0.000 2.302 494 W HA -0.224 4.436 4.660 -0.000 0.000 0.320 494 W C 1.760 177.865 176.519 -0.690 0.000 1.241 494 W CA 2.376 58.914 57.345 -1.345 0.000 1.264 494 W CB -0.219 28.440 29.460 -1.335 0.000 1.154 494 W HN 0.114 nan 8.180 nan 0.000 0.483 495 K N -0.231 119.751 120.400 -0.697 0.000 2.148 495 K HA -0.067 4.253 4.320 -0.000 0.000 0.204 495 K C 1.995 178.375 176.600 -0.367 0.000 1.050 495 K CA 1.911 57.749 56.287 -0.749 0.000 0.942 495 K CB -1.178 30.986 32.500 -0.561 0.000 0.724 495 K HN 0.232 nan 8.250 nan 0.000 0.446 496 T N 1.195 115.648 114.554 -0.168 0.000 2.788 496 T HA -0.067 4.283 4.350 -0.000 0.000 0.268 496 T C 1.816 176.503 174.700 -0.023 0.000 1.044 496 T CA 0.949 63.058 62.100 0.015 0.000 1.139 496 T CB 0.062 69.061 68.868 0.218 0.000 0.867 496 T HN 0.147 nan 8.240 nan 0.000 0.454 497 R N 0.972 121.427 120.500 -0.075 0.000 2.193 497 R HA 0.027 4.367 4.340 -0.000 0.000 0.213 497 R C 2.335 178.648 176.300 0.021 0.000 1.055 497 R CA 1.497 57.606 56.100 0.015 0.000 0.995 497 R CB -0.413 29.979 30.300 0.153 0.000 0.893 497 R HN 0.586 nan 8.270 nan 0.000 0.459 498 T N -4.735 109.739 114.554 -0.133 0.000 3.004 498 T HA 0.496 4.846 4.350 -0.000 0.000 0.266 498 T C 0.941 175.540 174.700 -0.168 0.000 0.986 498 T CA 0.222 62.264 62.100 -0.098 0.000 0.902 498 T CB 0.746 69.562 68.868 -0.085 0.000 1.118 498 T HN 0.118 nan 8.240 nan 0.000 0.522 499 A N 0.785 123.465 122.820 -0.233 0.000 2.364 499 A HA 0.893 5.213 4.320 -0.000 0.000 0.193 499 A C -0.633 176.859 177.584 -0.154 0.000 1.530 499 A CA 0.194 52.110 52.037 -0.202 0.000 1.613 499 A CB 0.805 19.619 19.000 -0.310 0.000 1.767 499 A HN 0.901 nan 8.150 nan 0.000 0.657 500 V N -0.889 118.924 119.914 -0.168 0.000 2.950 500 V HA 0.685 4.805 4.120 -0.000 0.000 0.295 500 V C -1.480 174.536 176.094 -0.130 0.000 1.297 500 V CA 0.157 62.383 62.300 -0.124 0.000 0.962 500 V CB 1.412 33.141 31.823 -0.157 0.000 1.081 500 V HN 1.821 nan 8.190 nan 0.000 0.432 501 A N 6.768 129.563 122.820 -0.041 0.000 2.454 501 A HA 0.976 5.296 4.320 -0.000 0.000 0.302 501 A C -0.998 176.549 177.584 -0.061 0.000 1.079 501 A CA -0.796 51.206 52.037 -0.059 0.000 0.731 501 A CB 2.138 21.163 19.000 0.042 0.000 1.299 501 A HN 0.938 nan 8.150 nan 0.000 0.413 502 M N 1.980 121.463 119.600 -0.195 0.000 2.078 502 M HA 0.395 4.875 4.480 -0.000 0.000 0.320 502 M C -1.768 174.456 176.300 -0.127 0.000 0.969 502 M CA -0.012 55.149 55.300 -0.233 0.000 0.929 502 M CB 1.161 33.442 32.600 -0.532 0.000 1.504 502 M HN 0.692 nan 8.290 nan 0.000 0.419 503 Y N 0.635 120.914 120.300 -0.035 0.000 2.361 503 Y HA 0.269 4.819 4.550 -0.000 0.000 0.332 503 Y C 0.283 176.230 175.900 0.078 0.000 1.101 503 Y CA -0.631 57.527 58.100 0.096 0.000 1.137 503 Y CB 0.989 39.572 38.460 0.205 0.000 1.207 503 Y HN 0.469 nan 8.280 nan 0.000 0.463 504 D N 3.282 123.878 120.400 0.327 0.000 2.393 504 D HA 0.114 4.754 4.640 -0.000 0.000 0.232 504 D C 0.196 176.585 176.300 0.149 0.000 1.192 504 D CA 0.065 54.287 54.000 0.369 0.000 0.882 504 D CB 0.666 41.781 40.800 0.526 0.000 1.038 504 D HN 0.443 nan 8.370 nan 0.000 0.499 505 M N 2.375 122.031 119.600 0.093 0.000 2.428 505 M HA -0.004 4.476 4.480 -0.000 0.000 0.239 505 M C 1.594 177.848 176.300 -0.078 0.000 1.121 505 M CA 0.133 55.422 55.300 -0.019 0.000 1.019 505 M CB -0.366 32.218 32.600 -0.026 0.000 1.485 505 M HN 0.248 nan 8.290 nan 0.000 0.484 506 T N 2.050 116.559 114.554 -0.075 0.000 2.653 506 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 506 T C -0.851 173.479 174.700 -0.617 0.000 1.035 506 T CA 1.651 63.596 62.100 -0.258 0.000 1.154 506 T CB -1.232 67.461 68.868 -0.292 0.000 0.862 506 T HN 0.259 nan 8.240 nan 0.000 0.441 507 P HA 0.109 nan 4.420 nan 0.000 0.230 507 P C 0.370 177.393 177.300 -0.462 0.000 1.158 507 P CA 0.065 62.423 63.100 -1.237 0.000 0.769 507 P CB -0.206 30.904 31.700 -0.983 0.000 0.807 508 L N 0.446 121.539 121.223 -0.217 0.000 2.584 508 L HA 0.019 4.359 4.340 -0.000 0.000 0.272 508 L C 0.560 177.438 176.870 0.013 0.000 1.195 508 L CA -0.267 54.551 54.840 -0.037 0.000 0.920 508 L CB -0.473 41.614 42.059 0.047 0.000 1.173 508 L HN -0.251 nan 8.230 nan 0.000 0.489 509 K N 5.181 125.612 120.400 0.052 0.000 2.504 509 K HA 0.023 4.343 4.320 -0.000 0.000 0.278 509 K C -0.441 176.197 176.600 0.063 0.000 1.025 509 K CA 0.877 57.212 56.287 0.080 0.000 1.093 509 K CB 0.163 32.716 32.500 0.090 0.000 0.873 509 K HN 0.691 nan 8.250 nan 0.000 0.483 510 R N 4.782 125.319 120.500 0.062 0.000 2.451 510 R HA 0.413 4.753 4.340 -0.000 0.000 0.307 510 R C -1.058 175.239 176.300 -0.005 0.000 0.965 510 R CA -0.576 55.540 56.100 0.025 0.000 0.865 510 R CB 0.756 31.087 30.300 0.053 0.000 1.174 510 R HN 0.559 nan 8.270 nan 0.000 0.455 511 L N 2.556 123.741 121.223 -0.063 0.000 2.341 511 L HA 0.467 4.807 4.340 -0.000 0.000 0.278 511 L C -0.198 176.604 176.870 -0.114 0.000 1.005 511 L CA -0.680 54.101 54.840 -0.098 0.000 0.818 511 L CB 2.077 44.017 42.059 -0.198 0.000 1.259 511 L HN 0.543 nan 8.230 nan 0.000 0.418 512 E N 2.780 122.936 120.200 -0.073 0.000 2.109 512 E HA 0.414 4.764 4.350 -0.000 0.000 0.278 512 E C -1.490 175.082 176.600 -0.047 0.000 0.954 512 E CA -0.606 55.764 56.400 -0.051 0.000 0.779 512 E CB 1.703 31.391 29.700 -0.021 0.000 1.093 512 E HN 0.327 nan 8.360 nan 0.000 0.401 513 V N 4.350 124.241 119.914 -0.039 0.000 2.347 513 V HA 0.365 4.484 4.120 -0.000 0.000 0.280 513 V C -0.080 176.063 176.094 0.080 0.000 1.021 513 V CA -0.445 61.834 62.300 -0.035 0.000 0.847 513 V CB 1.013 32.737 31.823 -0.166 0.000 0.990 513 V HN 0.710 nan 8.190 nan 0.000 0.444 514 S N 3.281 119.023 115.700 0.070 0.000 2.588 514 S HA 1.004 5.474 4.470 -0.000 0.000 0.275 514 S C -0.313 174.302 174.600 0.025 0.000 1.130 514 S CA 0.005 58.254 58.200 0.082 0.000 0.855 514 S CB 2.187 65.437 63.200 0.084 0.000 1.116 514 S HN 2.224 nan 8.310 nan 0.000 0.472 515 G N 1.708 110.443 108.800 -0.109 0.000 2.497 515 G HA2 0.107 4.067 3.960 -0.000 0.000 0.686 515 G HA3 0.107 4.067 3.960 -0.000 0.000 0.686 515 G C -2.602 171.980 174.900 -0.530 0.000 1.288 515 G CA -0.216 44.558 45.100 -0.543 0.000 0.899 515 G HN 0.627 nan 8.290 nan 0.000 0.608 516 P HA 0.017 nan 4.420 nan 0.000 0.222 516 P C 1.586 178.701 177.300 -0.308 0.000 1.147 516 P CA 1.916 64.727 63.100 -0.481 0.000 0.790 516 P CB -0.029 31.348 31.700 -0.538 0.000 0.780 517 G N -0.632 107.976 108.800 -0.320 0.000 3.042 517 G HA2 0.200 4.160 3.960 -0.000 0.000 0.212 517 G HA3 0.200 4.160 3.960 -0.000 0.000 0.212 517 G C 1.522 176.351 174.900 -0.118 0.000 1.166 517 G CA 0.524 45.531 45.100 -0.155 0.000 0.767 517 G HN 0.281 nan 8.290 nan 0.000 0.546 518 A N 1.019 123.768 122.820 -0.119 0.000 1.865 518 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 518 A C 2.249 179.649 177.584 -0.307 0.000 1.191 518 A CA 1.644 53.597 52.037 -0.139 0.000 0.623 518 A CB -0.476 18.538 19.000 0.022 0.000 0.826 518 A HN 0.497 nan 8.150 nan 0.000 0.444 519 L N 0.143 121.249 121.223 -0.195 0.000 2.042 519 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 519 L C 2.315 179.078 176.870 -0.179 0.000 1.076 519 L CA 2.783 57.469 54.840 -0.256 0.000 0.749 519 L CB -0.635 41.452 42.059 0.047 0.000 0.893 519 L HN 0.499 nan 8.230 nan 0.000 0.432 520 K N -0.798 119.540 120.400 -0.103 0.000 2.063 520 K HA -0.244 4.076 4.320 -0.000 0.000 0.208 520 K C 2.198 178.756 176.600 -0.070 0.000 1.048 520 K CA 2.020 58.268 56.287 -0.066 0.000 0.928 520 K CB -0.391 32.082 32.500 -0.045 0.000 0.713 520 K HN 0.353 nan 8.250 nan 0.000 0.442 521 L N 1.555 122.724 121.223 -0.089 0.000 2.017 521 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 521 L C 2.079 178.911 176.870 -0.063 0.000 1.073 521 L CA 1.555 56.358 54.840 -0.063 0.000 0.745 521 L CB -0.326 41.705 42.059 -0.048 0.000 0.894 521 L HN 0.233 nan 8.230 nan 0.000 0.432 522 L N -1.201 119.934 121.223 -0.146 0.000 2.056 522 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 522 L C 2.678 179.488 176.870 -0.100 0.000 1.078 522 L CA 0.762 55.518 54.840 -0.141 0.000 0.749 522 L CB -0.740 41.094 42.059 -0.374 0.000 0.901 522 L HN 0.335 nan 8.230 nan 0.000 0.433 523 Q N -0.082 119.654 119.800 -0.106 0.000 2.135 523 Q HA -0.263 4.076 4.340 -0.000 0.000 0.204 523 Q C 2.068 178.073 176.000 0.008 0.000 0.981 523 Q CA 1.646 57.422 55.803 -0.046 0.000 0.856 523 Q CB -0.101 28.620 28.738 -0.027 0.000 0.902 523 Q HN 0.437 nan 8.270 nan 0.000 0.425 524 E N 0.394 120.600 120.200 0.009 0.000 2.122 524 E HA -0.017 4.333 4.350 -0.000 0.000 0.190 524 E C 1.920 178.552 176.600 0.053 0.000 0.977 524 E CA 0.515 56.943 56.400 0.047 0.000 0.820 524 E CB -0.056 29.661 29.700 0.028 0.000 0.770 524 E HN 0.276 nan 8.360 nan 0.000 0.462 525 L N 0.408 121.641 121.223 0.017 0.000 2.240 525 L HA 0.094 4.434 4.340 -0.000 0.000 0.211 525 L C 1.271 178.151 176.870 0.017 0.000 1.106 525 L CA 0.995 55.848 54.840 0.021 0.000 0.793 525 L CB -0.605 41.447 42.059 -0.012 0.000 0.927 525 L HN 0.166 nan 8.230 nan 0.000 0.446 526 T N -4.406 110.132 114.554 -0.027 0.000 2.937 526 T HA 0.259 4.609 4.350 -0.000 0.000 0.283 526 T C 0.831 175.346 174.700 -0.308 0.000 1.012 526 T CA -0.040 61.987 62.100 -0.121 0.000 0.997 526 T CB 1.654 70.461 68.868 -0.102 0.000 1.136 526 T HN 0.102 nan 8.240 nan 0.000 0.551 527 T N -2.131 112.151 114.554 -0.453 0.000 3.145 527 T HA 0.576 4.926 4.350 -0.000 0.000 0.255 527 T C 0.508 174.840 174.700 -0.613 0.000 1.039 527 T CA -0.243 61.341 62.100 -0.860 0.000 0.928 527 T CB -0.369 68.062 68.868 -0.728 0.000 1.029 527 T HN 0.964 nan 8.240 nan 0.000 0.554 528 A N 0.886 123.489 122.820 -0.360 0.000 2.337 528 A HA 0.637 4.957 4.320 -0.000 0.000 0.331 528 A C -0.746 176.758 177.584 -0.133 0.000 1.137 528 A CA -0.757 51.154 52.037 -0.210 0.000 0.807 528 A CB 1.072 19.989 19.000 -0.137 0.000 1.250 528 A HN 0.243 nan 8.150 nan 0.000 0.468 529 D N 1.589 121.947 120.400 -0.071 0.000 2.365 529 D HA 0.326 4.966 4.640 -0.000 0.000 0.237 529 D C 0.329 176.632 176.300 0.004 0.000 1.190 529 D CA 0.013 54.000 54.000 -0.021 0.000 0.867 529 D CB 0.329 41.130 40.800 0.003 0.000 1.050 529 D HN 0.370 nan 8.370 nan 0.000 0.491 530 L N 2.525 123.756 121.223 0.013 0.000 2.607 530 L HA 0.261 4.600 4.340 -0.000 0.000 0.228 530 L C 1.217 178.156 176.870 0.115 0.000 1.123 530 L CA -0.223 54.657 54.840 0.066 0.000 0.890 530 L CB 0.144 42.223 42.059 0.034 0.000 1.103 530 L HN 0.374 nan 8.230 nan 0.000 0.468 531 A N 0.717 123.581 122.820 0.073 0.000 3.091 531 A HA 0.326 4.646 4.320 -0.000 0.000 0.264 531 A C 0.016 177.637 177.584 0.062 0.000 1.673 531 A CA -0.039 52.044 52.037 0.077 0.000 1.362 531 A CB -0.516 18.514 19.000 0.050 0.000 1.137 531 A HN 0.066 nan 8.150 nan 0.000 0.617 532 K N 0.076 120.519 120.400 0.072 0.000 2.375 532 K HA 0.410 4.730 4.320 -0.000 0.000 0.249 532 K C 0.038 176.655 176.600 0.028 0.000 0.942 532 K CA -0.940 55.375 56.287 0.047 0.000 0.806 532 K CB 1.878 34.408 32.500 0.051 0.000 1.227 532 K HN 0.496 nan 8.250 nan 0.000 0.430 533 K N 2.263 122.669 120.400 0.010 0.000 2.559 533 K HA 0.059 4.378 4.320 -0.000 0.000 0.279 533 K C -2.310 174.268 176.600 -0.035 0.000 0.967 533 K CA -0.840 55.438 56.287 -0.014 0.000 1.000 533 K CB -0.100 32.394 32.500 -0.010 0.000 0.890 533 K HN 0.499 nan 8.250 nan 0.000 0.501 534 P HA 0.153 nan 4.420 nan 0.000 0.267 534 P C 0.778 178.036 177.300 -0.071 0.000 1.200 534 P CA 0.961 63.991 63.100 -0.117 0.000 0.772 534 P CB 0.544 32.156 31.700 -0.147 0.000 0.855 535 G N 0.282 109.041 108.800 -0.068 0.000 2.296 535 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.188 535 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.188 535 G C 0.205 175.108 174.900 0.005 0.000 1.000 535 G CA -0.000 45.081 45.100 -0.032 0.000 0.672 535 G HN 0.813 nan 8.290 nan 0.000 0.483 536 A N 0.294 123.123 122.820 0.015 0.000 2.327 536 A HA 0.783 5.103 4.320 -0.000 0.000 0.283 536 A C 0.045 177.679 177.584 0.083 0.000 1.127 536 A CA -0.057 52.018 52.037 0.062 0.000 0.810 536 A CB 1.397 20.438 19.000 0.068 0.000 1.066 536 A HN 1.094 nan 8.150 nan 0.000 0.492 537 V N 2.043 122.040 119.914 0.138 0.000 2.495 537 V HA 0.605 4.725 4.120 -0.000 0.000 0.298 537 V C -0.017 176.273 176.094 0.326 0.000 1.031 537 V CA -0.332 62.078 62.300 0.183 0.000 0.871 537 V CB 1.782 33.662 31.823 0.095 0.000 0.988 537 V HN 0.935 nan 8.190 nan 0.000 0.432 538 T N 3.999 118.716 114.554 0.273 0.000 2.841 538 T HA 0.402 4.752 4.350 -0.000 0.000 0.285 538 T C -1.038 173.821 174.700 0.265 0.000 0.991 538 T CA -0.351 61.882 62.100 0.221 0.000 0.966 538 T CB 1.049 69.978 68.868 0.101 0.000 0.962 538 T HN 0.531 nan 8.240 nan 0.000 0.438 539 Y N 2.883 123.248 120.300 0.108 0.000 2.359 539 Y HA 0.552 5.102 4.550 -0.000 0.000 0.334 539 Y C 0.392 176.273 175.900 -0.030 0.000 1.058 539 Y CA 0.305 58.458 58.100 0.087 0.000 1.244 539 Y CB 0.751 39.258 38.460 0.079 0.000 1.187 539 Y HN 0.694 nan 8.280 nan 0.000 0.510 540 T N 5.949 120.197 114.554 -0.510 0.000 2.762 540 T HA 0.610 4.960 4.350 -0.000 0.000 0.301 540 T C -1.541 172.857 174.700 -0.503 0.000 1.299 540 T CA -0.784 61.041 62.100 -0.458 0.000 1.005 540 T CB 0.625 69.349 68.868 -0.240 0.000 1.377 540 T HN 0.606 nan 8.240 nan 0.000 0.504 541 L N 2.076 123.060 121.223 -0.398 0.000 2.322 541 L HA 0.667 5.007 4.340 -0.000 0.000 0.269 541 L C -0.679 176.064 176.870 -0.212 0.000 1.012 541 L CA -1.164 53.490 54.840 -0.310 0.000 0.815 541 L CB 1.571 43.457 42.059 -0.289 0.000 1.295 541 L HN 0.448 nan 8.230 nan 0.000 0.438 542 L N 3.095 124.209 121.223 -0.181 0.000 2.296 542 L HA 0.568 4.908 4.340 -0.000 0.000 0.286 542 L C -0.480 176.290 176.870 -0.167 0.000 1.023 542 L CA -0.347 54.398 54.840 -0.159 0.000 0.812 542 L CB 1.447 43.377 42.059 -0.215 0.000 1.223 542 L HN 0.395 nan 8.230 nan 0.000 0.421 543 L N 1.221 122.378 121.223 -0.109 0.000 2.286 543 L HA 0.556 4.896 4.340 -0.000 0.000 0.265 543 L C -0.483 176.319 176.870 -0.114 0.000 1.012 543 L CA -1.080 53.713 54.840 -0.079 0.000 0.818 543 L CB 1.762 43.823 42.059 0.003 0.000 1.337 543 L HN 0.561 nan 8.230 nan 0.000 0.438 544 D N -2.662 117.691 120.400 -0.079 0.000 2.466 544 D HA 0.094 4.734 4.640 -0.000 0.000 0.262 544 D C 0.816 177.092 176.300 -0.038 0.000 1.177 544 D CA -0.329 53.645 54.000 -0.043 0.000 1.035 544 D CB 0.367 41.172 40.800 0.008 0.000 1.105 544 D HN 0.406 nan 8.370 nan 0.000 0.551 545 H N -0.736 118.347 119.070 0.020 0.000 2.521 545 H HA 0.032 4.588 4.556 -0.000 0.000 0.286 545 H C 1.118 176.451 175.328 0.008 0.000 1.034 545 H CA 1.181 57.239 56.048 0.017 0.000 1.278 545 H CB 0.179 29.951 29.762 0.018 0.000 1.386 545 H HN 0.550 nan 8.280 nan 0.000 0.567 546 A N 0.054 122.935 122.820 0.101 0.000 2.307 546 A HA 0.339 4.659 4.320 -0.000 0.000 0.218 546 A C 1.958 179.572 177.584 0.049 0.000 1.228 546 A CA 0.733 52.805 52.037 0.059 0.000 0.857 546 A CB -0.090 18.932 19.000 0.036 0.000 0.897 546 A HN 0.463 nan 8.150 nan 0.000 0.495 547 G N -1.564 107.264 108.800 0.046 0.000 2.176 547 G HA2 -0.082 3.877 3.960 -0.000 0.000 0.253 547 G HA3 -0.082 3.877 3.960 -0.000 0.000 0.253 547 G C 0.748 175.680 174.900 0.054 0.000 0.979 547 G CA 0.260 45.398 45.100 0.064 0.000 0.641 547 G HN 1.413 nan 8.290 nan 0.000 0.530 548 G N -0.717 108.105 108.800 0.036 0.000 2.527 548 G HA2 0.550 4.510 3.960 -0.000 0.000 0.248 548 G HA3 0.550 4.510 3.960 -0.000 0.000 0.248 548 G C 0.225 175.156 174.900 0.052 0.000 1.231 548 G CA 0.212 45.336 45.100 0.040 0.000 0.838 548 G HN 0.956 nan 8.290 nan 0.000 0.570 549 V N 2.825 122.806 119.914 0.111 0.000 2.389 549 V HA 0.152 4.272 4.120 -0.000 0.000 0.264 549 V C 1.362 177.617 176.094 0.267 0.000 1.049 549 V CA -0.194 62.193 62.300 0.145 0.000 0.932 549 V CB 0.799 32.743 31.823 0.201 0.000 1.011 549 V HN 0.863 nan 8.190 nan 0.000 0.475 550 R N 2.241 122.742 120.500 0.001 0.000 2.161 550 R HA 0.192 4.532 4.340 -0.000 0.000 0.213 550 R C 0.626 176.481 176.300 -0.741 0.000 1.055 550 R CA 0.484 56.463 56.100 -0.203 0.000 0.996 550 R CB 0.337 30.360 30.300 -0.461 0.000 0.901 550 R HN 0.612 nan 8.270 nan 0.000 0.456 551 S N 0.280 115.665 115.700 -0.525 0.000 2.580 551 S HA 0.082 4.551 4.470 -0.000 0.000 0.281 551 S C -2.319 172.142 174.600 -0.231 0.000 1.129 551 S CA -1.044 56.756 58.200 -0.667 0.000 0.862 551 S CB 1.357 64.223 63.200 -0.558 0.000 1.090 551 S HN 0.275 nan 8.310 nan 0.000 0.451 552 D N 3.116 123.463 120.400 -0.088 0.000 2.278 552 D HA 0.621 5.261 4.640 -0.000 0.000 0.245 552 D C -0.387 175.872 176.300 -0.069 0.000 1.052 552 D CA -0.441 53.483 54.000 -0.127 0.000 0.834 552 D CB 0.914 41.703 40.800 -0.018 0.000 1.194 552 D HN 0.371 nan 8.370 nan 0.000 0.481 553 I N 0.655 121.129 120.570 -0.160 0.000 3.074 553 I HA 0.335 4.504 4.170 -0.000 0.000 0.310 553 I C 0.166 176.313 176.117 0.049 0.000 1.153 553 I CA -0.674 60.619 61.300 -0.011 0.000 0.993 553 I CB 2.117 40.117 38.000 -0.001 0.000 1.237 553 I HN 0.573 nan 8.210 nan 0.000 0.443 554 T N 0.541 115.169 114.554 0.123 0.000 2.859 554 T HA 0.754 5.104 4.350 -0.000 0.000 0.281 554 T C -0.572 174.176 174.700 0.080 0.000 1.005 554 T CA -0.682 61.514 62.100 0.160 0.000 1.025 554 T CB 1.890 70.875 68.868 0.196 0.000 0.977 554 T HN 0.236 nan 8.240 nan 0.000 0.458 555 V N 2.010 121.981 119.914 0.096 0.000 2.407 555 V HA 0.719 4.839 4.120 -0.000 0.000 0.291 555 V C 0.163 176.333 176.094 0.126 0.000 1.018 555 V CA -0.945 61.408 62.300 0.090 0.000 0.842 555 V CB 1.032 32.905 31.823 0.083 0.000 0.996 555 V HN 1.279 nan 8.190 nan 0.000 0.426 556 A N 5.117 127.990 122.820 0.087 0.000 2.288 556 A HA 0.715 5.035 4.320 -0.000 0.000 0.320 556 A C -0.024 177.559 177.584 -0.002 0.000 1.217 556 A CA -0.697 51.363 52.037 0.038 0.000 0.840 556 A CB 0.614 19.592 19.000 -0.037 0.000 1.179 556 A HN 0.821 nan 8.150 nan 0.000 0.504 557 R N 3.411 123.864 120.500 -0.078 0.000 2.220 557 R HA 0.411 4.751 4.340 -0.000 0.000 0.340 557 R C -0.208 175.878 176.300 -0.357 0.000 1.076 557 R CA -0.305 55.533 56.100 -0.438 0.000 0.920 557 R CB 0.116 30.190 30.300 -0.377 0.000 1.062 557 R HN 0.833 nan 8.270 nan 0.000 0.469 558 L N 2.219 123.208 121.223 -0.389 0.000 2.416 558 L HA 0.144 4.484 4.340 -0.000 0.000 0.216 558 L C 0.478 177.208 176.870 -0.234 0.000 1.098 558 L CA 0.179 54.875 54.840 -0.241 0.000 0.840 558 L CB 0.023 41.977 42.059 -0.176 0.000 0.981 558 L HN 0.676 nan 8.230 nan 0.000 0.462 559 S N -2.994 112.510 115.700 -0.328 0.000 2.655 559 S HA 0.185 4.655 4.470 -0.000 0.000 0.266 559 S C 0.293 174.707 174.600 -0.310 0.000 1.149 559 S CA -0.694 57.361 58.200 -0.242 0.000 0.818 559 S CB 1.720 64.824 63.200 -0.161 0.000 1.130 559 S HN -0.095 nan 8.310 nan 0.000 0.476 560 E N 0.606 120.695 120.200 -0.187 0.000 2.086 560 E HA -0.135 4.214 4.350 -0.000 0.000 0.200 560 E C 0.358 176.890 176.600 -0.112 0.000 1.012 560 E CA 2.226 58.545 56.400 -0.135 0.000 0.812 560 E CB -0.157 29.500 29.700 -0.072 0.000 0.743 560 E HN 0.617 nan 8.360 nan 0.000 0.453 561 D N -1.178 119.157 120.400 -0.108 0.000 2.462 561 D HA 0.161 4.801 4.640 -0.000 0.000 0.221 561 D C -0.808 175.494 176.300 0.002 0.000 1.173 561 D CA 0.172 54.154 54.000 -0.030 0.000 0.831 561 D CB 0.898 41.648 40.800 -0.084 0.000 1.001 561 D HN -0.074 nan 8.370 nan 0.000 0.499 562 T N 0.353 114.803 114.554 -0.173 0.000 3.011 562 T HA 0.452 4.802 4.350 -0.000 0.000 0.303 562 T C -0.929 173.571 174.700 -0.333 0.000 0.997 562 T CA -0.446 61.582 62.100 -0.120 0.000 1.007 562 T CB 1.000 69.804 68.868 -0.107 0.000 1.017 562 T HN -0.221 nan 8.240 nan 0.000 0.443 563 F N 1.838 121.734 119.950 -0.090 0.000 2.556 563 F HA 0.557 5.084 4.527 -0.000 0.000 0.314 563 F C 0.159 175.879 175.800 -0.134 0.000 1.106 563 F CA -0.924 57.013 58.000 -0.105 0.000 0.911 563 F CB 2.295 41.229 39.000 -0.110 0.000 1.190 563 F HN 0.352 nan 8.300 nan 0.000 0.448 564 Q N 3.168 122.980 119.800 0.021 0.000 2.331 564 Q HA 0.658 4.998 4.340 -0.000 0.000 0.267 564 Q C -1.961 173.991 176.000 -0.080 0.000 1.006 564 Q CA -0.849 54.905 55.803 -0.082 0.000 0.818 564 Q CB 1.536 30.166 28.738 -0.180 0.000 1.276 564 Q HN 0.628 nan 8.270 nan 0.000 0.450 565 L N 2.422 123.574 121.223 -0.118 0.000 2.334 565 L HA 0.671 5.010 4.340 -0.000 0.000 0.276 565 L C 0.207 177.034 176.870 -0.073 0.000 1.014 565 L CA -0.200 54.573 54.840 -0.112 0.000 0.815 565 L CB 2.073 43.987 42.059 -0.242 0.000 1.268 565 L HN 0.725 nan 8.230 nan 0.000 0.428 566 G N 1.338 110.133 108.800 -0.010 0.000 2.370 566 G HA2 0.702 4.662 3.960 -0.000 0.000 0.317 566 G HA3 0.702 4.662 3.960 -0.000 0.000 0.317 566 G C -0.688 174.238 174.900 0.044 0.000 1.162 566 G CA 0.038 45.162 45.100 0.040 0.000 0.922 566 G HN 0.825 nan 8.290 nan 0.000 0.454 567 A N 2.559 125.406 122.820 0.044 0.000 2.468 567 A HA 0.670 4.990 4.320 -0.000 0.000 0.277 567 A C 0.919 178.535 177.584 0.054 0.000 1.203 567 A CA -0.855 51.213 52.037 0.052 0.000 0.932 567 A CB 0.982 20.026 19.000 0.072 0.000 1.438 567 A HN 0.503 nan 8.150 nan 0.000 0.468 568 N N -0.434 118.283 118.700 0.028 0.000 2.299 568 N HA 0.311 5.051 4.740 -0.000 0.000 0.187 568 N C 0.508 176.066 175.510 0.079 0.000 1.099 568 N CA 1.076 54.161 53.050 0.059 0.000 0.867 568 N CB 1.042 39.561 38.487 0.054 0.000 0.974 568 N HN 0.990 nan 8.380 nan 0.000 0.477 569 G N 0.478 109.315 108.800 0.062 0.000 2.352 569 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.283 569 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.283 569 G C -0.464 174.478 174.900 0.070 0.000 1.308 569 G CA -0.574 44.578 45.100 0.086 0.000 0.892 569 G HN -0.080 nan 8.290 nan 0.000 0.504 570 N N -0.543 118.199 118.700 0.071 0.000 2.467 570 N HA 0.132 4.871 4.740 -0.000 0.000 0.184 570 N C 2.238 177.783 175.510 0.057 0.000 1.106 570 N CA 0.377 53.470 53.050 0.073 0.000 0.892 570 N CB -0.119 38.414 38.487 0.078 0.000 0.969 570 N HN 0.480 nan 8.380 nan 0.000 0.454 571 I N 0.360 120.944 120.570 0.023 0.000 2.252 571 I HA -0.240 3.929 4.170 -0.000 0.000 0.245 571 I C 1.448 177.564 176.117 -0.001 0.000 1.102 571 I CA 1.036 62.334 61.300 -0.003 0.000 1.385 571 I CB -0.084 37.885 38.000 -0.052 0.000 1.064 571 I HN -0.004 nan 8.210 nan 0.000 0.414 572 D N 0.523 120.912 120.400 -0.018 0.000 2.104 572 D HA -0.156 4.484 4.640 -0.000 0.000 0.194 572 D C 2.226 178.687 176.300 0.268 0.000 0.994 572 D CA 1.690 55.741 54.000 0.085 0.000 0.830 572 D CB -0.523 40.344 40.800 0.112 0.000 0.959 572 D HN 0.244 nan 8.370 nan 0.000 0.452 573 T N 0.721 115.396 114.554 0.201 0.000 2.635 573 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 573 T C 2.008 176.814 174.700 0.176 0.000 1.040 573 T CA 1.930 64.150 62.100 0.201 0.000 1.156 573 T CB -0.472 68.468 68.868 0.120 0.000 0.863 573 T HN 0.226 nan 8.240 nan 0.000 0.430 574 A N 0.294 123.185 122.820 0.118 0.000 1.972 574 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 574 A C 2.103 179.727 177.584 0.067 0.000 1.169 574 A CA 1.604 53.688 52.037 0.077 0.000 0.635 574 A CB -0.945 18.094 19.000 0.065 0.000 0.810 574 A HN 0.605 nan 8.150 nan 0.000 0.446 575 Y N -0.599 119.657 120.300 -0.073 0.000 2.163 575 Y HA -0.175 4.374 4.550 -0.000 0.000 0.288 575 Y C 1.927 177.691 175.900 -0.227 0.000 1.136 575 Y CA 1.650 59.636 58.100 -0.190 0.000 1.147 575 Y CB -0.638 37.636 38.460 -0.310 0.000 0.987 575 Y HN 0.286 nan 8.280 nan 0.000 0.509 576 F N 0.766 120.646 119.950 -0.117 0.000 2.095 576 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 576 F C 2.424 178.121 175.800 -0.172 0.000 1.104 576 F CA 1.935 59.820 58.000 -0.191 0.000 1.232 576 F CB -0.525 38.428 39.000 -0.079 0.000 0.987 576 F HN 0.070 nan 8.300 nan 0.000 0.475 577 E N -0.110 120.133 120.200 0.072 0.000 2.070 577 E HA -0.303 4.047 4.350 -0.000 0.000 0.197 577 E C 2.255 178.801 176.600 -0.091 0.000 1.004 577 E CA 1.668 58.072 56.400 0.007 0.000 0.805 577 E CB -0.213 29.495 29.700 0.013 0.000 0.744 577 E HN 0.302 nan 8.360 nan 0.000 0.451 578 R N 0.411 120.805 120.500 -0.177 0.000 2.062 578 R HA -0.065 4.275 4.340 -0.000 0.000 0.229 578 R C 2.250 178.282 176.300 -0.447 0.000 1.128 578 R CA 1.284 57.179 56.100 -0.341 0.000 0.960 578 R CB -0.232 29.863 30.300 -0.342 0.000 0.855 578 R HN 0.142 nan 8.270 nan 0.000 0.432 579 A N 0.807 123.402 122.820 -0.375 0.000 1.933 579 A HA -0.087 4.232 4.320 -0.000 0.000 0.218 579 A C 2.361 179.867 177.584 -0.130 0.000 1.175 579 A CA 1.704 53.562 52.037 -0.300 0.000 0.628 579 A CB -0.794 17.913 19.000 -0.488 0.000 0.814 579 A HN 0.567 nan 8.150 nan 0.000 0.444 580 A N -0.504 122.265 122.820 -0.084 0.000 1.929 580 A HA -0.092 4.227 4.320 -0.000 0.000 0.216 580 A C 2.233 179.831 177.584 0.024 0.000 1.176 580 A CA 1.553 53.591 52.037 0.001 0.000 0.628 580 A CB -0.426 18.596 19.000 0.037 0.000 0.816 580 A HN 0.559 nan 8.150 nan 0.000 0.444 581 R N -1.084 119.406 120.500 -0.017 0.000 2.090 581 R HA -0.124 4.216 4.340 -0.000 0.000 0.228 581 R C 1.946 178.320 176.300 0.123 0.000 1.110 581 R CA 1.593 57.711 56.100 0.030 0.000 0.973 581 R CB -0.451 29.843 30.300 -0.011 0.000 0.869 581 R HN 0.775 nan 8.270 nan 0.000 0.440 582 H N -0.575 118.495 119.070 -0.001 0.000 2.357 582 H HA -0.133 4.422 4.556 -0.000 0.000 0.301 582 H C 2.187 177.522 175.328 0.011 0.000 1.082 582 H CA 1.324 57.373 56.048 0.001 0.000 1.342 582 H CB 0.150 29.906 29.762 -0.010 0.000 1.389 582 H HN 0.363 nan 8.280 nan 0.000 0.511 583 Q N 0.541 120.420 119.800 0.131 0.000 2.084 583 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 583 Q C 1.961 178.016 176.000 0.091 0.000 0.978 583 Q CA 1.925 57.779 55.803 0.084 0.000 0.844 583 Q CB 0.111 28.880 28.738 0.051 0.000 0.898 583 Q HN 0.347 nan 8.270 nan 0.000 0.426 584 T N 0.922 115.543 114.554 0.112 0.000 2.684 584 T HA -0.207 4.142 4.350 -0.000 0.000 0.267 584 T C 1.709 176.473 174.700 0.106 0.000 1.036 584 T CA 1.696 63.880 62.100 0.139 0.000 1.148 584 T CB -0.189 68.769 68.868 0.151 0.000 0.863 584 T HN 0.405 nan 8.240 nan 0.000 0.436 585 Q N 0.691 120.545 119.800 0.090 0.000 2.167 585 Q HA -0.038 4.302 4.340 -0.000 0.000 0.202 585 Q C 2.164 178.191 176.000 0.044 0.000 0.970 585 Q CA 1.424 57.264 55.803 0.062 0.000 0.855 585 Q CB 0.025 28.801 28.738 0.063 0.000 0.911 585 Q HN 0.599 nan 8.270 nan 0.000 0.438 586 S N -1.470 114.257 115.700 0.045 0.000 2.593 586 S HA 0.329 4.799 4.470 -0.000 0.000 0.236 586 S C 0.409 175.031 174.600 0.036 0.000 0.991 586 S CA -0.314 57.903 58.200 0.028 0.000 0.963 586 S CB 0.983 64.188 63.200 0.007 0.000 0.865 586 S HN 0.222 nan 8.310 nan 0.000 0.488 587 G N 1.390 110.222 108.800 0.054 0.000 2.552 587 G HA2 0.583 4.543 3.960 -0.000 0.000 0.324 587 G HA3 0.583 4.543 3.960 -0.000 0.000 0.324 587 G C -0.000 174.940 174.900 0.068 0.000 1.217 587 G CA -0.296 44.839 45.100 0.057 0.000 0.989 587 G HN 0.443 nan 8.290 nan 0.000 0.490 588 S N -0.757 114.981 115.700 0.064 0.000 2.596 588 S HA 0.433 4.902 4.470 -0.000 0.000 0.262 588 S C 1.736 176.410 174.600 0.124 0.000 1.218 588 S CA 0.386 58.630 58.200 0.073 0.000 0.998 588 S CB 0.687 63.918 63.200 0.052 0.000 1.060 588 S HN 1.356 nan 8.310 nan 0.000 0.552 589 A N 0.101 122.999 122.820 0.130 0.000 2.235 589 A HA 0.175 4.495 4.320 -0.000 0.000 0.208 589 A C 1.872 179.565 177.584 0.183 0.000 1.172 589 A CA 1.040 53.209 52.037 0.218 0.000 0.786 589 A CB -1.320 17.780 19.000 0.167 0.000 0.804 589 A HN 1.017 nan 8.150 nan 0.000 0.479 590 T N -4.976 109.618 114.554 0.067 0.000 3.010 590 T HA 0.094 4.444 4.350 -0.000 0.000 0.257 590 T C 0.448 175.089 174.700 -0.100 0.000 1.020 590 T CA 0.555 62.628 62.100 -0.045 0.000 0.938 590 T CB 0.052 68.903 68.868 -0.028 0.000 1.049 590 T HN 0.190 nan 8.240 nan 0.000 0.522 591 D N 1.343 121.734 120.400 -0.014 0.000 2.349 591 D HA 0.124 4.764 4.640 -0.000 0.000 0.214 591 D C 0.762 177.083 176.300 0.035 0.000 1.063 591 D CA -0.365 53.629 54.000 -0.010 0.000 0.847 591 D CB -0.141 40.680 40.800 0.036 0.000 0.933 591 D HN 0.698 nan 8.370 nan 0.000 0.513 592 W N 1.459 122.768 121.300 0.014 0.000 2.158 592 W HA 0.414 5.074 4.660 -0.000 0.000 0.339 592 W C -0.522 176.005 176.519 0.014 0.000 1.294 592 W CA -0.615 56.737 57.345 0.013 0.000 1.231 592 W CB 0.488 29.956 29.460 0.012 0.000 1.143 592 W HN -0.303 nan 8.180 nan 0.000 0.571 593 V N 3.868 123.992 119.914 0.349 0.000 2.852 593 V HA 0.246 4.366 4.120 -0.000 0.000 0.300 593 V C -0.972 175.260 176.094 0.231 0.000 1.205 593 V CA -0.612 61.803 62.300 0.193 0.000 0.940 593 V CB 2.077 33.925 31.823 0.040 0.000 1.047 593 V HN 0.777 nan 8.190 nan 0.000 0.429 594 Q N 3.989 123.924 119.800 0.224 0.000 2.306 594 Q HA 0.729 5.068 4.340 -0.000 0.000 0.265 594 Q C -1.341 174.707 176.000 0.081 0.000 1.022 594 Q CA -0.801 55.094 55.803 0.153 0.000 0.853 594 Q CB 2.893 31.736 28.738 0.174 0.000 1.327 594 Q HN 0.628 nan 8.270 nan 0.000 0.449 595 V N 1.645 121.590 119.914 0.053 0.000 2.487 595 V HA 0.455 4.575 4.120 -0.000 0.000 0.298 595 V C -0.324 175.782 176.094 0.021 0.000 1.028 595 V CA -0.704 61.607 62.300 0.018 0.000 0.860 595 V CB 1.744 33.587 31.823 0.033 0.000 0.991 595 V HN 0.542 nan 8.190 nan 0.000 0.427 596 R N 1.890 122.394 120.500 0.006 0.000 2.562 596 R HA 0.462 4.802 4.340 -0.000 0.000 0.298 596 R C -0.826 175.479 176.300 0.008 0.000 0.961 596 R CA -0.984 55.124 56.100 0.014 0.000 0.881 596 R CB 2.006 32.316 30.300 0.018 0.000 1.159 596 R HN 0.914 nan 8.270 nan 0.000 0.450 597 D N 1.241 121.656 120.400 0.026 0.000 2.365 597 D HA 0.070 4.710 4.640 -0.000 0.000 0.237 597 D C 0.798 177.128 176.300 0.049 0.000 1.190 597 D CA -0.058 53.966 54.000 0.040 0.000 0.867 597 D CB 1.221 42.056 40.800 0.058 0.000 1.050 597 D HN 0.668 nan 8.370 nan 0.000 0.491 598 T N -0.355 114.227 114.554 0.046 0.000 3.105 598 T HA 0.016 4.366 4.350 -0.000 0.000 0.253 598 T C 1.586 176.344 174.700 0.096 0.000 1.047 598 T CA -0.069 62.065 62.100 0.057 0.000 0.944 598 T CB -0.069 68.820 68.868 0.035 0.000 1.016 598 T HN 0.222 nan 8.240 nan 0.000 0.544 599 T N 2.309 116.940 114.554 0.129 0.000 2.624 599 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 599 T C 2.214 177.082 174.700 0.280 0.000 1.050 599 T CA 2.056 64.276 62.100 0.200 0.000 1.163 599 T CB -1.089 67.947 68.868 0.281 0.000 0.861 599 T HN 0.629 nan 8.240 nan 0.000 0.443 600 G N 0.154 109.116 108.800 0.271 0.000 2.534 600 G HA2 0.156 4.116 3.960 -0.000 0.000 0.217 600 G HA3 0.156 4.116 3.960 -0.000 0.000 0.217 600 G C 1.327 176.314 174.900 0.145 0.000 1.128 600 G CA 0.713 45.959 45.100 0.244 0.000 0.784 600 G HN 0.630 nan 8.290 nan 0.000 0.542 601 G N -0.359 108.505 108.800 0.107 0.000 3.233 601 G HA2 0.415 4.374 3.960 -0.000 0.000 0.234 601 G HA3 0.415 4.374 3.960 -0.000 0.000 0.234 601 G C 0.490 175.430 174.900 0.068 0.000 1.137 601 G CA 0.800 45.940 45.100 0.066 0.000 0.763 601 G HN 0.621 nan 8.290 nan 0.000 0.549 602 T N -2.686 111.923 114.554 0.091 0.000 2.778 602 T HA 0.625 4.975 4.350 -0.000 0.000 0.293 602 T C -0.492 174.252 174.700 0.073 0.000 1.144 602 T CA -0.392 61.764 62.100 0.094 0.000 1.010 602 T CB 1.964 70.909 68.868 0.127 0.000 1.325 602 T HN 0.699 nan 8.240 nan 0.000 0.515 603 C N -0.899 118.456 119.300 0.093 0.000 3.321 603 C HA 0.937 5.396 4.460 -0.000 0.000 0.329 603 C C -0.745 174.327 174.990 0.136 0.000 1.394 603 C CA -1.003 58.038 59.018 0.037 0.000 1.291 603 C CB 0.949 28.591 27.740 -0.164 0.000 1.606 603 C HN 1.433 nan 8.230 nan 0.000 0.463 604 C N 1.542 120.923 119.300 0.135 0.000 2.811 604 C HA 0.754 5.214 4.460 -0.000 0.000 0.352 604 C C -1.178 173.849 174.990 0.062 0.000 1.098 604 C CA -0.235 58.730 59.018 -0.088 0.000 1.295 604 C CB 0.153 27.595 27.740 -0.496 0.000 1.758 604 C HN 0.920 nan 8.230 nan 0.000 0.488 605 I N 4.592 125.112 120.570 -0.084 0.000 2.378 605 I HA 0.486 4.656 4.170 -0.000 0.000 0.291 605 I C 0.957 176.836 176.117 -0.396 0.000 0.992 605 I CA -0.011 61.184 61.300 -0.174 0.000 1.154 605 I CB 1.721 39.571 38.000 -0.251 0.000 1.315 605 I HN 0.873 nan 8.210 nan 0.000 0.448 606 G N 6.666 115.120 108.800 -0.576 0.000 2.356 606 G HA2 0.458 4.418 3.960 -0.000 0.000 0.300 606 G HA3 0.458 4.418 3.960 -0.000 0.000 0.300 606 G C -0.888 173.250 174.900 -1.270 0.000 1.107 606 G CA -0.308 43.882 45.100 -1.516 0.000 0.960 606 G HN 0.444 nan 8.290 nan 0.000 0.418 607 L N 4.492 125.086 121.223 -1.049 0.000 2.272 607 L HA 0.655 4.994 4.340 -0.000 0.000 0.284 607 L C -1.272 175.350 176.870 -0.413 0.000 1.045 607 L CA -1.161 53.383 54.840 -0.493 0.000 0.842 607 L CB -0.062 41.867 42.059 -0.217 0.000 1.224 607 L HN 0.445 nan 8.230 nan 0.000 0.430 608 W N 4.705 126.012 121.300 0.012 0.000 2.915 608 W HA 0.794 5.454 4.660 -0.000 0.000 0.337 608 W C 0.231 176.718 176.519 -0.053 0.000 1.102 608 W CA -0.663 56.653 57.345 -0.048 0.000 1.224 608 W CB 2.009 31.475 29.460 0.009 0.000 1.416 608 W HN 0.801 nan 8.180 nan 0.000 0.503 609 G N 2.548 111.429 108.800 0.135 0.000 2.326 609 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.413 609 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.413 609 G C -2.271 172.606 174.900 -0.039 0.000 1.444 609 G CA -0.857 44.265 45.100 0.038 0.000 1.002 609 G HN 0.091 nan 8.290 nan 0.000 0.649 610 P HA -0.037 nan 4.420 nan 0.000 0.221 610 P C 1.563 178.807 177.300 -0.094 0.000 1.145 610 P CA 0.934 64.004 63.100 -0.050 0.000 0.795 610 P CB 0.152 31.842 31.700 -0.018 0.000 0.775 611 L N -1.421 119.721 121.223 -0.134 0.000 2.629 611 L HA 0.234 4.574 4.340 -0.000 0.000 0.230 611 L C 2.359 179.044 176.870 -0.308 0.000 1.151 611 L CA 0.008 54.700 54.840 -0.246 0.000 0.924 611 L CB -0.675 41.227 42.059 -0.262 0.000 1.137 611 L HN -0.103 nan 8.230 nan 0.000 0.457 612 A N 0.614 123.320 122.820 -0.191 0.000 1.940 612 A HA -0.206 4.113 4.320 -0.000 0.000 0.219 612 A C 2.468 180.038 177.584 -0.023 0.000 1.176 612 A CA 1.478 53.435 52.037 -0.133 0.000 0.631 612 A CB -0.297 18.583 19.000 -0.199 0.000 0.814 612 A HN 0.363 nan 8.150 nan 0.000 0.446 613 R N -0.629 119.882 120.500 0.018 0.000 2.073 613 R HA -0.090 4.250 4.340 -0.000 0.000 0.229 613 R C 1.546 177.768 176.300 -0.129 0.000 1.120 613 R CA 1.268 57.435 56.100 0.112 0.000 0.967 613 R CB -0.255 30.138 30.300 0.155 0.000 0.862 613 R HN 0.488 nan 8.270 nan 0.000 0.436 614 D N 0.899 121.121 120.400 -0.297 0.000 2.123 614 D HA -0.215 4.425 4.640 -0.000 0.000 0.196 614 D C 1.845 177.783 176.300 -0.602 0.000 0.992 614 D CA 0.981 54.679 54.000 -0.503 0.000 0.833 614 D CB -0.143 40.134 40.800 -0.872 0.000 0.954 614 D HN 0.209 nan 8.370 nan 0.000 0.455 615 L N 0.263 121.084 121.223 -0.671 0.000 1.988 615 L HA -0.111 4.228 4.340 -0.000 0.000 0.207 615 L C 2.376 179.114 176.870 -0.221 0.000 1.071 615 L CA 0.972 55.577 54.840 -0.392 0.000 0.744 615 L CB -0.207 41.664 42.059 -0.313 0.000 0.893 615 L HN -0.122 nan 8.230 nan 0.000 0.433 616 V N -0.365 119.382 119.914 -0.279 0.000 2.626 616 V HA -0.205 3.915 4.120 -0.000 0.000 0.252 616 V C 2.665 178.572 176.094 -0.311 0.000 1.067 616 V CA 1.790 63.851 62.300 -0.398 0.000 1.081 616 V CB -0.073 31.262 31.823 -0.813 0.000 0.686 616 V HN 0.805 nan 8.190 nan 0.000 0.468 617 S N -0.688 114.890 115.700 -0.204 0.000 2.474 617 S HA -0.146 4.324 4.470 -0.000 0.000 0.235 617 S C 1.904 176.486 174.600 -0.030 0.000 0.997 617 S CA 1.224 59.383 58.200 -0.069 0.000 0.949 617 S CB -0.355 62.830 63.200 -0.025 0.000 0.766 617 S HN 0.513 nan 8.310 nan 0.000 0.517 618 K N 0.874 121.254 120.400 -0.033 0.000 2.432 618 K HA 0.194 4.514 4.320 -0.000 0.000 0.196 618 K C 1.468 178.060 176.600 -0.014 0.000 1.038 618 K CA 0.858 57.147 56.287 0.003 0.000 0.986 618 K CB -0.023 32.505 32.500 0.046 0.000 0.782 618 K HN 0.755 nan 8.250 nan 0.000 0.485 619 V N -3.192 116.697 119.914 -0.041 0.000 3.199 619 V HA 0.493 4.612 4.120 -0.000 0.000 0.331 619 V C -0.137 175.945 176.094 -0.019 0.000 1.446 619 V CA -0.488 61.793 62.300 -0.033 0.000 1.120 619 V CB 0.540 32.333 31.823 -0.050 0.000 1.051 619 V HN 0.132 nan 8.190 nan 0.000 0.495 620 S N 0.033 115.733 115.700 0.001 0.000 2.537 620 S HA 0.543 5.013 4.470 -0.000 0.000 0.270 620 S C -0.832 173.808 174.600 0.066 0.000 1.142 620 S CA -0.300 57.935 58.200 0.058 0.000 0.870 620 S CB 2.229 65.527 63.200 0.164 0.000 1.112 620 S HN 0.312 nan 8.310 nan 0.000 0.466 621 D N 2.095 122.524 120.400 0.048 0.000 2.395 621 D HA 0.187 4.827 4.640 -0.000 0.000 0.213 621 D C -0.475 175.830 176.300 0.009 0.000 1.110 621 D CA 0.107 54.124 54.000 0.029 0.000 0.835 621 D CB 0.248 41.053 40.800 0.008 0.000 0.965 621 D HN 0.567 nan 8.370 nan 0.000 0.505 622 D N 0.898 121.300 120.400 0.004 0.000 2.357 622 D HA 0.024 4.664 4.640 -0.000 0.000 0.242 622 D C 0.186 176.376 176.300 -0.183 0.000 1.153 622 D CA 0.054 53.964 54.000 -0.150 0.000 0.918 622 D CB 0.969 41.582 40.800 -0.310 0.000 1.181 622 D HN -0.202 nan 8.370 nan 0.000 0.435 623 D N 0.947 121.188 120.400 -0.266 0.000 2.352 623 D HA 0.051 4.691 4.640 -0.000 0.000 0.245 623 D C -0.480 175.593 176.300 -0.378 0.000 1.224 623 D CA -0.133 53.752 54.000 -0.191 0.000 0.879 623 D CB 0.139 40.863 40.800 -0.126 0.000 1.057 623 D HN 0.297 nan 8.370 nan 0.000 0.491 624 F N 1.266 121.155 119.950 -0.102 0.000 2.727 624 F HA 0.047 4.574 4.527 -0.000 0.000 0.302 624 F C 1.687 177.543 175.800 0.094 0.000 1.097 624 F CA -0.254 57.680 58.000 -0.111 0.000 1.330 624 F CB 0.107 38.929 39.000 -0.297 0.000 1.084 624 F HN 0.235 nan 8.300 nan 0.000 0.578 625 T N -2.534 112.129 114.554 0.182 0.000 2.680 625 T HA -0.077 4.273 4.350 -0.000 0.000 0.314 625 T C 1.303 176.106 174.700 0.172 0.000 1.045 625 T CA -0.109 62.093 62.100 0.171 0.000 1.025 625 T CB 0.503 69.429 68.868 0.097 0.000 1.000 625 T HN 0.143 nan 8.240 nan 0.000 0.535 626 N N 0.802 119.592 118.700 0.150 0.000 2.166 626 N HA -0.088 4.652 4.740 -0.000 0.000 0.186 626 N C 1.988 177.562 175.510 0.107 0.000 1.019 626 N CA 2.053 55.188 53.050 0.142 0.000 0.856 626 N CB -0.837 37.715 38.487 0.108 0.000 0.993 626 N HN 0.851 nan 8.380 nan 0.000 0.426 627 D N -1.501 118.944 120.400 0.075 0.000 2.355 627 D HA 0.160 4.799 4.640 -0.000 0.000 0.218 627 D C 1.769 178.085 176.300 0.026 0.000 1.004 627 D CA 0.860 54.889 54.000 0.048 0.000 0.880 627 D CB -0.665 40.156 40.800 0.035 0.000 0.911 627 D HN 0.455 nan 8.370 nan 0.000 0.528 628 G N -0.878 107.935 108.800 0.022 0.000 2.545 628 G HA2 0.391 4.350 3.960 -0.000 0.000 0.212 628 G HA3 0.391 4.350 3.960 -0.000 0.000 0.212 628 G C 0.332 175.200 174.900 -0.052 0.000 1.144 628 G CA 0.531 45.604 45.100 -0.044 0.000 0.813 628 G HN 0.543 nan 8.290 nan 0.000 0.531 629 L N 0.530 121.774 121.223 0.036 0.000 2.661 629 L HA 0.466 4.806 4.340 -0.000 0.000 0.263 629 L C -0.738 176.251 176.870 0.198 0.000 0.956 629 L CA -0.741 54.148 54.840 0.083 0.000 0.918 629 L CB 1.537 43.623 42.059 0.046 0.000 1.280 629 L HN -0.066 nan 8.230 nan 0.000 0.416 630 K N 2.557 123.061 120.400 0.172 0.000 2.107 630 K HA 0.310 4.630 4.320 -0.000 0.000 0.251 630 K C -0.894 175.883 176.600 0.295 0.000 1.012 630 K CA -0.682 55.736 56.287 0.219 0.000 0.920 630 K CB 0.639 33.244 32.500 0.175 0.000 1.033 630 K HN 0.463 nan 8.250 nan 0.000 0.478 631 Y N 1.228 121.634 120.300 0.176 0.000 2.712 631 Y HA -0.108 4.442 4.550 -0.000 0.000 0.333 631 Y C -0.034 176.050 175.900 0.307 0.000 1.225 631 Y CA 0.292 58.517 58.100 0.210 0.000 1.499 631 Y CB -0.194 38.388 38.460 0.203 0.000 1.288 631 Y HN 0.610 nan 8.280 nan 0.000 0.575 632 F N 3.164 122.906 119.950 -0.346 0.000 3.074 632 F HA -0.295 4.232 4.527 -0.000 0.000 0.289 632 F C 0.191 175.962 175.800 -0.048 0.000 0.863 632 F CA 0.876 58.714 58.000 -0.269 0.000 1.121 632 F CB -0.848 37.934 39.000 -0.363 0.000 1.169 632 F HN 0.480 nan 8.300 nan 0.000 0.570 633 R N 0.093 120.643 120.500 0.083 0.000 2.854 633 R HA 0.933 5.273 4.340 -0.000 0.000 0.271 633 R C -0.262 176.082 176.300 0.074 0.000 0.996 633 R CA -0.346 55.806 56.100 0.086 0.000 0.961 633 R CB 2.027 32.386 30.300 0.098 0.000 1.182 633 R HN 0.066 nan 8.270 nan 0.000 0.479 634 A N 1.436 124.283 122.820 0.045 0.000 2.401 634 A HA 0.710 5.030 4.320 -0.000 0.000 0.310 634 A C -0.906 176.675 177.584 -0.004 0.000 1.075 634 A CA -0.727 51.333 52.037 0.038 0.000 0.746 634 A CB 1.658 20.668 19.000 0.017 0.000 1.277 634 A HN 0.774 nan 8.150 nan 0.000 0.425 635 K N 0.869 121.255 120.400 -0.024 0.000 2.548 635 K HA 0.490 4.810 4.320 -0.000 0.000 0.282 635 K C -1.430 175.132 176.600 -0.063 0.000 1.006 635 K CA -1.053 55.197 56.287 -0.063 0.000 0.892 635 K CB 0.960 33.400 32.500 -0.100 0.000 1.499 635 K HN 0.410 nan 8.250 nan 0.000 0.433 636 N N 0.695 119.355 118.700 -0.067 0.000 2.514 636 N HA 0.378 5.118 4.740 -0.000 0.000 0.277 636 N C -0.480 174.980 175.510 -0.083 0.000 1.126 636 N CA -0.356 52.663 53.050 -0.051 0.000 0.978 636 N CB 1.444 39.907 38.487 -0.040 0.000 1.106 636 N HN 0.552 nan 8.380 nan 0.000 0.461 637 V N -1.414 118.466 119.914 -0.058 0.000 3.182 637 V HA 0.702 4.822 4.120 -0.000 0.000 0.308 637 V C -0.569 175.521 176.094 -0.007 0.000 1.240 637 V CA -0.909 61.348 62.300 -0.072 0.000 1.063 637 V CB 1.836 33.594 31.823 -0.109 0.000 1.076 637 V HN 0.180 nan 8.190 nan 0.000 0.446 638 V N 1.715 121.634 119.914 0.009 0.000 2.487 638 V HA 0.626 4.745 4.120 -0.000 0.000 0.298 638 V C -0.556 175.564 176.094 0.043 0.000 1.028 638 V CA -0.221 62.093 62.300 0.024 0.000 0.860 638 V CB 1.357 33.187 31.823 0.011 0.000 0.991 638 V HN 0.754 nan 8.190 nan 0.000 0.427 639 I N 3.222 123.813 120.570 0.035 0.000 2.478 639 I HA 0.572 4.742 4.170 -0.000 0.000 0.287 639 I C 1.017 177.141 176.117 0.011 0.000 1.042 639 I CA -0.506 60.802 61.300 0.014 0.000 1.067 639 I CB 1.927 39.918 38.000 -0.014 0.000 1.233 639 I HN 0.828 nan 8.210 nan 0.000 0.431 640 G N 4.163 112.965 108.800 0.004 0.000 2.321 640 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.287 640 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.287 640 G C 1.010 175.924 174.900 0.024 0.000 1.018 640 G CA 0.748 45.856 45.100 0.013 0.000 0.855 640 G HN 1.617 nan 8.290 nan 0.000 0.507 641 G N -2.003 106.810 108.800 0.022 0.000 2.159 641 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.256 641 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.256 641 G C 0.210 175.127 174.900 0.029 0.000 0.977 641 G CA 0.429 45.543 45.100 0.024 0.000 0.652 641 G HN 1.145 nan 8.290 nan 0.000 0.531 642 I N 1.434 122.026 120.570 0.035 0.000 2.354 642 I HA 0.362 4.532 4.170 -0.000 0.000 0.292 642 I C -2.199 173.944 176.117 0.042 0.000 0.989 642 I CA -3.290 58.037 61.300 0.045 0.000 1.188 642 I CB 1.292 39.329 38.000 0.062 0.000 1.342 642 I HN -0.189 nan 8.210 nan 0.000 0.457 643 P HA 0.206 nan 4.420 nan 0.000 0.271 643 P C -0.549 176.784 177.300 0.054 0.000 1.226 643 P CA 0.069 63.190 63.100 0.036 0.000 0.765 643 P CB 0.829 32.546 31.700 0.028 0.000 0.835 644 V N 3.565 123.512 119.914 0.056 0.000 2.925 644 V HA 0.375 4.495 4.120 -0.000 0.000 0.311 644 V C -0.051 176.095 176.094 0.087 0.000 1.104 644 V CA -0.453 61.899 62.300 0.086 0.000 0.954 644 V CB 2.708 34.581 31.823 0.083 0.000 1.022 644 V HN 0.362 nan 8.190 nan 0.000 0.427 645 T N 3.687 118.325 114.554 0.140 0.000 2.744 645 T HA 0.636 4.986 4.350 -0.000 0.000 0.291 645 T C -0.020 174.812 174.700 0.221 0.000 0.957 645 T CA -0.117 62.062 62.100 0.132 0.000 1.002 645 T CB 1.153 70.081 68.868 0.100 0.000 0.919 645 T HN 0.912 nan 8.240 nan 0.000 0.468 646 A N 5.176 128.084 122.820 0.147 0.000 2.260 646 A HA 0.766 5.086 4.320 -0.000 0.000 0.314 646 A C -0.101 177.618 177.584 0.225 0.000 1.257 646 A CA -0.731 51.419 52.037 0.189 0.000 0.871 646 A CB 0.325 19.376 19.000 0.085 0.000 1.166 646 A HN 0.834 nan 8.150 nan 0.000 0.522 647 M N 2.576 122.373 119.600 0.329 0.000 2.243 647 M HA 0.394 4.874 4.480 -0.000 0.000 0.324 647 M C 0.126 176.630 176.300 0.339 0.000 1.031 647 M CA -0.334 55.123 55.300 0.260 0.000 0.949 647 M CB 2.142 34.876 32.600 0.223 0.000 1.615 647 M HN 0.776 nan 8.290 nan 0.000 0.430 648 R N 5.651 126.323 120.500 0.287 0.000 2.408 648 R HA 0.615 4.955 4.340 -0.000 0.000 0.308 648 R C -1.459 174.797 176.300 -0.074 0.000 1.210 648 R CA -0.065 56.210 56.100 0.291 0.000 1.115 648 R CB -0.021 30.550 30.300 0.452 0.000 1.127 648 R HN 0.819 nan 8.270 nan 0.000 0.523 649 L N -0.961 120.231 121.223 -0.052 0.000 2.765 649 L HA 0.694 5.033 4.340 -0.000 0.000 0.263 649 L C -1.296 175.626 176.870 0.088 0.000 1.068 649 L CA -1.085 53.637 54.840 -0.197 0.000 0.903 649 L CB 2.154 43.727 42.059 -0.809 0.000 1.512 649 L HN 0.278 nan 8.230 nan 0.000 0.404 650 S N -0.844 114.792 115.700 -0.107 0.000 2.599 650 S HA 0.302 4.772 4.470 -0.000 0.000 0.269 650 S C -0.589 173.684 174.600 -0.545 0.000 1.135 650 S CA -0.470 57.317 58.200 -0.687 0.000 1.027 650 S CB 0.732 63.416 63.200 -0.860 0.000 1.129 650 S HN 0.738 nan 8.310 nan 0.000 0.458 651 Y N 4.864 124.685 120.300 -0.799 0.000 2.616 651 Y HA 0.072 4.622 4.550 -0.000 0.000 0.296 651 Y C 1.734 177.336 175.900 -0.496 0.000 1.154 651 Y CA 1.790 59.591 58.100 -0.498 0.000 1.325 651 Y CB 0.265 38.464 38.460 -0.435 0.000 1.007 651 Y HN 0.621 nan 8.280 nan 0.000 0.542 652 V N -3.441 116.004 119.914 -0.781 0.000 3.647 652 V HA 0.466 4.585 4.120 -0.000 0.000 0.279 652 V C 1.436 177.314 176.094 -0.359 0.000 1.314 652 V CA 0.649 62.588 62.300 -0.602 0.000 1.125 652 V CB -0.335 31.160 31.823 -0.547 0.000 0.907 652 V HN 0.393 nan 8.190 nan 0.000 0.434 653 G N 0.049 108.696 108.800 -0.254 0.000 2.149 653 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.235 653 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.235 653 G C -0.181 174.701 174.900 -0.031 0.000 1.018 653 G CA 0.393 45.453 45.100 -0.066 0.000 0.728 653 G HN 0.626 nan 8.290 nan 0.000 0.508 654 E N -1.150 118.962 120.200 -0.146 0.000 2.378 654 E HA 0.598 4.948 4.350 -0.000 0.000 0.265 654 E C 0.222 176.770 176.600 -0.088 0.000 0.932 654 E CA -1.292 55.075 56.400 -0.056 0.000 0.795 654 E CB 1.663 31.369 29.700 0.009 0.000 1.296 654 E HN 0.362 nan 8.360 nan 0.000 0.438 655 L N 0.867 122.038 121.223 -0.088 0.000 2.543 655 L HA 0.308 4.648 4.340 -0.000 0.000 0.285 655 L C 0.527 177.240 176.870 -0.261 0.000 1.236 655 L CA 1.866 56.594 54.840 -0.187 0.000 0.871 655 L CB -0.229 41.724 42.059 -0.177 0.000 1.121 655 L HN 0.727 nan 8.230 nan 0.000 0.501 656 G N 2.432 110.817 108.800 -0.691 0.000 2.302 656 G HA2 0.067 4.026 3.960 -0.000 0.000 0.276 656 G HA3 0.067 4.026 3.960 -0.000 0.000 0.276 656 G C -1.854 172.392 174.900 -1.091 0.000 1.316 656 G CA -0.340 44.002 45.100 -1.263 0.000 0.988 656 G HN 0.774 nan 8.290 nan 0.000 0.479 657 W N 0.087 121.471 121.300 0.141 0.000 3.167 657 W HA 0.515 5.175 4.660 -0.000 0.000 0.324 657 W C -0.542 175.917 176.519 -0.100 0.000 1.230 657 W CA -0.786 56.630 57.345 0.119 0.000 1.184 657 W CB 1.655 31.181 29.460 0.110 0.000 1.414 657 W HN 0.661 nan 8.180 nan 0.000 0.551 658 E N 1.956 122.300 120.200 0.238 0.000 2.229 658 E HA 0.384 4.734 4.350 -0.000 0.000 0.283 658 E C -0.623 175.965 176.600 -0.019 0.000 1.030 658 E CA -0.358 56.019 56.400 -0.037 0.000 0.836 658 E CB 1.248 30.983 29.700 0.059 0.000 1.068 658 E HN 0.157 nan 8.360 nan 0.000 0.401 659 L N 4.564 125.662 121.223 -0.209 0.000 2.318 659 L HA 0.377 4.716 4.340 -0.000 0.000 0.277 659 L C -1.035 175.751 176.870 -0.140 0.000 1.008 659 L CA -0.752 54.048 54.840 -0.066 0.000 0.846 659 L CB 0.195 42.221 42.059 -0.055 0.000 1.220 659 L HN 0.499 nan 8.230 nan 0.000 0.423 660 Y N 1.450 121.798 120.300 0.081 0.000 2.387 660 Y HA 0.671 5.221 4.550 -0.000 0.000 0.336 660 Y C 0.597 176.544 175.900 0.078 0.000 1.067 660 Y CA -0.426 57.724 58.100 0.083 0.000 1.114 660 Y CB 2.255 40.751 38.460 0.061 0.000 1.208 660 Y HN 0.431 nan 8.280 nan 0.000 0.458 661 T N 0.340 115.038 114.554 0.240 0.000 2.762 661 T HA 0.354 4.704 4.350 -0.000 0.000 0.301 661 T C -0.896 173.884 174.700 0.135 0.000 1.299 661 T CA -0.718 61.481 62.100 0.165 0.000 1.005 661 T CB 1.283 70.235 68.868 0.141 0.000 1.377 661 T HN 0.585 nan 8.240 nan 0.000 0.504 662 S N 0.706 116.463 115.700 0.095 0.000 2.572 662 S HA 0.474 4.944 4.470 -0.000 0.000 0.279 662 S C 1.749 176.382 174.600 0.056 0.000 1.341 662 S CA 0.261 58.502 58.200 0.070 0.000 1.043 662 S CB 0.384 63.615 63.200 0.051 0.000 0.887 662 S HN 0.942 nan 8.310 nan 0.000 0.516 663 A N 3.391 126.231 122.820 0.034 0.000 1.948 663 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 663 A C 1.755 179.339 177.584 0.000 0.000 1.177 663 A CA 2.144 54.179 52.037 -0.002 0.000 0.636 663 A CB -0.884 18.111 19.000 -0.008 0.000 0.815 663 A HN 0.980 nan 8.150 nan 0.000 0.449 664 D N -0.376 120.034 120.400 0.016 0.000 2.310 664 D HA -0.122 4.518 4.640 -0.000 0.000 0.212 664 D C 0.938 177.260 176.300 0.037 0.000 0.965 664 D CA 1.139 55.150 54.000 0.018 0.000 0.879 664 D CB -0.620 40.190 40.800 0.017 0.000 0.921 664 D HN 0.395 nan 8.370 nan 0.000 0.510 665 N N 0.302 119.035 118.700 0.056 0.000 2.325 665 N HA 0.071 4.811 4.740 -0.000 0.000 0.182 665 N C 1.922 177.509 175.510 0.128 0.000 1.088 665 N CA 0.802 53.900 53.050 0.081 0.000 0.879 665 N CB 0.053 38.589 38.487 0.082 0.000 0.983 665 N HN 0.379 nan 8.380 nan 0.000 0.471 666 G N 1.073 109.955 108.800 0.136 0.000 2.418 666 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.217 666 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.217 666 G C 1.358 176.515 174.900 0.429 0.000 1.158 666 G CA 0.562 45.836 45.100 0.289 0.000 0.771 666 G HN 0.340 nan 8.290 nan 0.000 0.545 667 Q N -0.106 119.847 119.800 0.254 0.000 2.124 667 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 667 Q C 2.583 178.724 176.000 0.235 0.000 0.977 667 Q CA 1.566 57.518 55.803 0.248 0.000 0.850 667 Q CB -0.085 28.715 28.738 0.103 0.000 0.901 667 Q HN 0.373 nan 8.270 nan 0.000 0.429 668 R N 0.336 120.938 120.500 0.170 0.000 2.096 668 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 668 R C 2.112 178.501 176.300 0.149 0.000 1.127 668 R CA 1.367 57.549 56.100 0.136 0.000 0.968 668 R CB -0.708 29.648 30.300 0.095 0.000 0.861 668 R HN 0.400 nan 8.270 nan 0.000 0.440 669 L N -0.140 121.188 121.223 0.175 0.000 2.056 669 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 669 L C 2.073 179.004 176.870 0.101 0.000 1.078 669 L CA 1.852 56.768 54.840 0.126 0.000 0.749 669 L CB -0.856 41.294 42.059 0.151 0.000 0.901 669 L HN 0.384 nan 8.230 nan 0.000 0.433 670 W N 1.010 122.297 121.300 -0.022 0.000 2.333 670 W HA -0.262 4.398 4.660 -0.000 0.000 0.316 670 W C 1.928 178.429 176.519 -0.029 0.000 1.215 670 W CA 2.162 59.417 57.345 -0.150 0.000 1.278 670 W CB -0.401 28.913 29.460 -0.244 0.000 1.154 670 W HN 0.312 nan 8.180 nan 0.000 0.486 671 D N 0.287 120.867 120.400 0.301 0.000 2.144 671 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 671 D C 2.334 178.711 176.300 0.128 0.000 0.984 671 D CA 1.910 56.055 54.000 0.241 0.000 0.834 671 D CB -0.795 40.125 40.800 0.200 0.000 0.955 671 D HN 0.181 nan 8.370 nan 0.000 0.465 672 A N 0.654 123.515 122.820 0.069 0.000 1.902 672 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 672 A C 2.376 179.941 177.584 -0.032 0.000 1.181 672 A CA 0.945 52.995 52.037 0.021 0.000 0.623 672 A CB -0.740 18.265 19.000 0.010 0.000 0.818 672 A HN 0.202 nan 8.150 nan 0.000 0.443 673 L N -1.993 119.172 121.223 -0.096 0.000 2.109 673 L HA -0.154 4.185 4.340 -0.000 0.000 0.207 673 L C 2.592 179.352 176.870 -0.182 0.000 1.086 673 L CA 1.048 55.781 54.840 -0.178 0.000 0.760 673 L CB -0.460 41.428 42.059 -0.285 0.000 0.910 673 L HN 0.750 nan 8.230 nan 0.000 0.437 674 W N 1.189 122.250 121.300 -0.399 0.000 2.355 674 W HA -0.254 4.406 4.660 -0.000 0.000 0.309 674 W C 2.433 178.845 176.519 -0.179 0.000 1.206 674 W CA 1.969 59.099 57.345 -0.358 0.000 1.284 674 W CB -0.148 29.109 29.460 -0.339 0.000 1.145 674 W HN 0.292 nan 8.180 nan 0.000 0.502 675 Q N 0.392 120.201 119.800 0.015 0.000 2.020 675 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 675 Q C 2.442 178.374 176.000 -0.115 0.000 0.982 675 Q CA 2.272 58.049 55.803 -0.044 0.000 0.838 675 Q CB -0.578 28.184 28.738 0.040 0.000 0.899 675 Q HN 0.180 nan 8.270 nan 0.000 0.423 676 A N 0.294 123.066 122.820 -0.080 0.000 1.958 676 A HA -0.177 4.143 4.320 -0.000 0.000 0.221 676 A C 2.110 179.682 177.584 -0.020 0.000 1.178 676 A CA 1.818 53.828 52.037 -0.045 0.000 0.642 676 A CB -1.112 17.864 19.000 -0.040 0.000 0.816 676 A HN 0.603 nan 8.150 nan 0.000 0.453 677 G N -1.903 106.815 108.800 -0.135 0.000 2.813 677 G HA2 0.059 4.019 3.960 -0.000 0.000 0.209 677 G HA3 0.059 4.019 3.960 -0.000 0.000 0.209 677 G C 1.310 176.052 174.900 -0.264 0.000 1.150 677 G CA 0.498 45.527 45.100 -0.118 0.000 0.785 677 G HN 0.409 nan 8.290 nan 0.000 0.535 678 Q N 0.902 120.485 119.800 -0.363 0.000 2.045 678 Q HA -0.116 4.223 4.340 -0.000 0.000 0.206 678 Q C 0.161 175.945 176.000 -0.361 0.000 0.991 678 Q CA 1.654 57.228 55.803 -0.382 0.000 0.851 678 Q CB -1.613 26.944 28.738 -0.301 0.000 0.911 678 Q HN 0.376 nan 8.270 nan 0.000 0.418 679 P HA -0.077 nan 4.420 nan 0.000 0.226 679 P C 0.446 177.315 177.300 -0.718 0.000 1.153 679 P CA 0.938 63.673 63.100 -0.609 0.000 0.777 679 P CB -0.158 31.033 31.700 -0.849 0.000 0.794 680 F N -1.826 118.005 119.950 -0.198 0.000 2.664 680 F HA 0.379 4.905 4.527 -0.000 0.000 0.303 680 F C 1.556 177.213 175.800 -0.238 0.000 1.092 680 F CA 0.055 57.939 58.000 -0.194 0.000 1.305 680 F CB -0.450 38.438 39.000 -0.187 0.000 1.054 680 F HN -0.110 nan 8.300 nan 0.000 0.565 681 G N 1.579 110.270 108.800 -0.181 0.000 2.273 681 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.280 681 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.280 681 G C 0.188 174.910 174.900 -0.297 0.000 1.047 681 G CA 0.233 45.190 45.100 -0.238 0.000 0.869 681 G HN 0.288 nan 8.290 nan 0.000 0.502 682 V N 0.585 120.282 119.914 -0.362 0.000 2.901 682 V HA 0.518 4.638 4.120 -0.000 0.000 0.307 682 V C 1.003 176.800 176.094 -0.494 0.000 1.084 682 V CA 0.744 62.786 62.300 -0.430 0.000 1.184 682 V CB 0.622 32.124 31.823 -0.535 0.000 0.941 682 V HN 0.879 nan 8.190 nan 0.000 0.493 683 I N 4.010 124.392 120.570 -0.313 0.000 3.002 683 I HA 0.914 5.083 4.170 -0.000 0.000 0.310 683 I C -0.098 176.002 176.117 -0.029 0.000 1.087 683 I CA -1.070 60.146 61.300 -0.140 0.000 1.017 683 I CB 2.058 39.977 38.000 -0.135 0.000 1.226 683 I HN 0.670 nan 8.210 nan 0.000 0.443 684 A N 2.686 125.512 122.820 0.010 0.000 2.331 684 A HA 0.833 5.152 4.320 -0.000 0.000 0.283 684 A C -0.075 177.235 177.584 -0.457 0.000 1.142 684 A CA -0.143 51.679 52.037 -0.358 0.000 0.812 684 A CB 0.320 18.766 19.000 -0.923 0.000 1.074 684 A HN 1.157 nan 8.150 nan 0.000 0.497 685 A N 1.975 124.561 122.820 -0.390 0.000 2.386 685 A HA 0.821 5.140 4.320 -0.000 0.000 0.311 685 A C 0.343 177.858 177.584 -0.115 0.000 1.068 685 A CA 0.023 51.866 52.037 -0.323 0.000 0.743 685 A CB 1.316 19.816 19.000 -0.833 0.000 1.258 685 A HN 1.629 nan 8.150 nan 0.000 0.429 686 G N -0.326 108.608 108.800 0.225 0.000 2.753 686 G HA2 0.458 4.418 3.960 -0.000 0.000 0.285 686 G HA3 0.458 4.418 3.960 -0.000 0.000 0.285 686 G C 0.592 175.623 174.900 0.218 0.000 1.344 686 G CA -0.452 44.754 45.100 0.177 0.000 1.050 686 G HN 0.818 nan 8.290 nan 0.000 0.532 687 R N -1.020 119.429 120.500 -0.086 0.000 2.148 687 R HA 0.032 4.371 4.340 -0.000 0.000 0.227 687 R C 2.577 178.881 176.300 0.006 0.000 1.103 687 R CA 1.567 57.543 56.100 -0.206 0.000 0.983 687 R CB -0.330 29.443 30.300 -0.878 0.000 0.874 687 R HN 0.487 nan 8.270 nan 0.000 0.451 688 A N 0.745 123.639 122.820 0.123 0.000 1.858 688 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 688 A C 2.345 180.194 177.584 0.443 0.000 1.190 688 A CA 1.686 53.970 52.037 0.411 0.000 0.617 688 A CB -0.939 18.427 19.000 0.609 0.000 0.827 688 A HN 0.483 nan 8.150 nan 0.000 0.443 689 A N -1.253 121.830 122.820 0.439 0.000 1.877 689 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 689 A C 2.067 179.945 177.584 0.490 0.000 1.186 689 A CA 1.660 53.972 52.037 0.459 0.000 0.620 689 A CB -0.820 18.414 19.000 0.391 0.000 0.822 689 A HN 0.678 nan 8.150 nan 0.000 0.443 690 F N 1.505 121.687 119.950 0.387 0.000 2.063 690 F HA -0.249 4.277 4.527 -0.000 0.000 0.298 690 F C 2.620 178.501 175.800 0.135 0.000 1.109 690 F CA 2.184 60.313 58.000 0.216 0.000 1.212 690 F CB -0.451 38.709 39.000 0.266 0.000 0.973 690 F HN 0.209 nan 8.300 nan 0.000 0.480 691 S N -0.837 115.082 115.700 0.365 0.000 2.370 691 S HA -0.239 4.231 4.470 -0.000 0.000 0.226 691 S C 2.243 176.894 174.600 0.085 0.000 1.033 691 S CA 1.357 59.679 58.200 0.204 0.000 1.011 691 S CB -0.695 62.686 63.200 0.302 0.000 0.852 691 S HN 0.555 nan 8.310 nan 0.000 0.457 692 S N 1.135 116.935 115.700 0.166 0.000 2.355 692 S HA 0.039 4.508 4.470 -0.000 0.000 0.222 692 S C 1.829 176.428 174.600 -0.001 0.000 1.031 692 S CA 0.792 59.057 58.200 0.108 0.000 0.993 692 S CB -0.432 62.929 63.200 0.268 0.000 0.859 692 S HN 0.428 nan 8.310 nan 0.000 0.453 693 L N 1.481 122.708 121.223 0.006 0.000 2.046 693 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 693 L C 2.750 179.423 176.870 -0.327 0.000 1.077 693 L CA 1.812 56.570 54.840 -0.136 0.000 0.747 693 L CB -0.580 41.410 42.059 -0.115 0.000 0.896 693 L HN 0.429 nan 8.230 nan 0.000 0.432 694 R N 0.187 120.407 120.500 -0.467 0.000 2.189 694 R HA -0.097 4.243 4.340 -0.000 0.000 0.223 694 R C 1.943 177.920 176.300 -0.539 0.000 1.092 694 R CA 1.298 56.970 56.100 -0.714 0.000 0.989 694 R CB -0.824 28.728 30.300 -1.247 0.000 0.876 694 R HN 0.281 nan 8.270 nan 0.000 0.457 695 L N 0.511 121.543 121.223 -0.317 0.000 2.179 695 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 695 L C 1.971 178.755 176.870 -0.144 0.000 1.096 695 L CA 1.390 56.119 54.840 -0.185 0.000 0.779 695 L CB -0.209 41.821 42.059 -0.048 0.000 0.922 695 L HN 0.375 nan 8.230 nan 0.000 0.443 696 E N -0.306 119.783 120.200 -0.185 0.000 2.204 696 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 696 E C 1.590 178.081 176.600 -0.183 0.000 0.989 696 E CA 0.635 56.946 56.400 -0.150 0.000 0.824 696 E CB 0.235 29.840 29.700 -0.159 0.000 0.756 696 E HN 0.196 nan 8.360 nan 0.000 0.477 697 K N -0.548 119.619 120.400 -0.390 0.000 2.459 697 K HA 0.044 4.364 4.320 -0.000 0.000 0.193 697 K C 1.138 177.314 176.600 -0.707 0.000 1.030 697 K CA 0.707 56.590 56.287 -0.673 0.000 1.026 697 K CB 0.547 32.254 32.500 -1.321 0.000 0.809 697 K HN 0.259 nan 8.250 nan 0.000 0.504 698 G N 1.393 109.945 108.800 -0.414 0.000 2.153 698 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.252 698 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.252 698 G C -0.092 174.644 174.900 -0.273 0.000 0.994 698 G CA 0.195 45.147 45.100 -0.247 0.000 0.698 698 G HN 0.384 nan 8.290 nan 0.000 0.521 699 Y N -0.356 119.762 120.300 -0.303 0.000 2.309 699 Y HA 0.572 5.122 4.550 -0.000 0.000 0.327 699 Y C 1.240 177.031 175.900 -0.183 0.000 1.172 699 Y CA -1.055 56.899 58.100 -0.243 0.000 1.280 699 Y CB 0.672 38.906 38.460 -0.376 0.000 1.234 699 Y HN 0.059 nan 8.280 nan 0.000 0.512 700 R N 0.897 121.507 120.500 0.183 0.000 2.500 700 R HA 0.324 4.663 4.340 -0.000 0.000 0.277 700 R C -0.673 175.770 176.300 0.238 0.000 1.026 700 R CA -0.636 55.525 56.100 0.102 0.000 1.058 700 R CB 1.493 31.879 30.300 0.143 0.000 1.078 700 R HN 0.501 nan 8.270 nan 0.000 0.509 701 S N 1.939 117.741 115.700 0.171 0.000 2.530 701 S HA 0.262 4.732 4.470 -0.000 0.000 0.322 701 S C -1.188 173.544 174.600 0.220 0.000 1.085 701 S CA -0.760 57.589 58.200 0.248 0.000 1.096 701 S CB 0.185 63.520 63.200 0.223 0.000 0.988 701 S HN 0.510 nan 8.310 nan 0.000 0.466 702 W N 4.844 126.224 121.300 0.133 0.000 2.223 702 W HA 0.458 5.118 4.660 -0.000 0.000 0.334 702 W C 1.212 177.794 176.519 0.106 0.000 1.334 702 W CA 1.803 59.212 57.345 0.106 0.000 1.246 702 W CB 0.239 29.747 29.460 0.079 0.000 1.184 702 W HN 1.051 nan 8.180 nan 0.000 0.563 703 G N 2.167 110.331 108.800 -1.060 0.000 2.284 703 G HA2 -0.349 3.610 3.960 -0.000 0.000 0.216 703 G HA3 -0.349 3.610 3.960 -0.000 0.000 0.216 703 G C 0.670 175.340 174.900 -0.383 0.000 1.009 703 G CA 0.913 45.461 45.100 -0.919 0.000 0.625 703 G HN 0.959 nan 8.290 nan 0.000 0.501 704 T N -2.880 111.569 114.554 -0.175 0.000 3.272 704 T HA 0.229 4.579 4.350 -0.000 0.000 0.247 704 T C 1.447 176.175 174.700 0.046 0.000 0.990 704 T CA 1.222 63.323 62.100 0.001 0.000 1.213 704 T CB 0.000 68.921 68.868 0.088 0.000 1.124 704 T HN -0.053 nan 8.240 nan 0.000 0.401 705 D N 2.379 122.789 120.400 0.017 0.000 2.178 705 D HA 0.038 4.678 4.640 -0.000 0.000 0.201 705 D C 1.104 177.412 176.300 0.013 0.000 0.980 705 D CA 1.172 55.173 54.000 0.000 0.000 0.842 705 D CB -0.066 40.692 40.800 -0.069 0.000 0.948 705 D HN 0.505 nan 8.370 nan 0.000 0.472 706 M N -0.896 118.679 119.600 -0.042 0.000 2.465 706 M HA 0.462 4.941 4.480 -0.000 0.000 0.284 706 M C -0.713 175.483 176.300 -0.174 0.000 1.212 706 M CA -0.726 54.571 55.300 -0.006 0.000 0.910 706 M CB 1.694 34.360 32.600 0.109 0.000 1.725 706 M HN -0.105 nan 8.290 nan 0.000 0.477 707 T N -2.562 112.060 114.554 0.114 0.000 2.669 707 T HA 0.552 4.902 4.350 -0.000 0.000 0.283 707 T C 0.923 175.694 174.700 0.118 0.000 1.019 707 T CA 0.297 62.307 62.100 -0.150 0.000 1.039 707 T CB 0.918 69.637 68.868 -0.248 0.000 1.374 707 T HN 0.874 nan 8.240 nan 0.000 0.523 708 T N -1.587 113.049 114.554 0.136 0.000 3.025 708 T HA -0.029 4.321 4.350 -0.000 0.000 0.270 708 T C 1.186 175.842 174.700 -0.074 0.000 1.126 708 T CA 1.298 63.441 62.100 0.072 0.000 1.105 708 T CB -0.699 68.211 68.868 0.071 0.000 0.884 708 T HN 0.737 nan 8.240 nan 0.000 0.522 709 E N 0.430 120.485 120.200 -0.241 0.000 2.482 709 E HA 0.003 4.353 4.350 -0.000 0.000 0.196 709 E C 0.081 176.311 176.600 -0.616 0.000 1.047 709 E CA 0.371 56.508 56.400 -0.439 0.000 0.869 709 E CB 0.087 29.448 29.700 -0.566 0.000 0.836 709 E HN 0.726 nan 8.360 nan 0.000 0.520 710 H N 0.707 119.729 119.070 -0.081 0.000 2.572 710 H HA 0.148 4.704 4.556 -0.000 0.000 0.359 710 H C -0.461 174.875 175.328 0.014 0.000 1.134 710 H CA -1.039 54.968 56.048 -0.068 0.000 1.187 710 H CB 1.442 31.153 29.762 -0.084 0.000 1.597 710 H HN 0.072 nan 8.280 nan 0.000 0.524 711 D N 1.727 122.224 120.400 0.163 0.000 2.388 711 D HA 0.163 4.803 4.640 -0.000 0.000 0.254 711 D C -1.958 174.384 176.300 0.068 0.000 1.111 711 D CA -2.151 51.924 54.000 0.126 0.000 0.993 711 D CB 0.943 41.853 40.800 0.184 0.000 1.118 711 D HN 0.064 nan 8.370 nan 0.000 0.502 712 P HA -0.070 nan 4.420 nan 0.000 0.218 712 P C 0.787 177.892 177.300 -0.325 0.000 1.148 712 P CA 1.147 64.053 63.100 -0.323 0.000 0.822 712 P CB -0.065 31.254 31.700 -0.635 0.000 0.784 713 F N -0.142 119.861 119.950 0.088 0.000 2.187 713 F HA -0.036 4.491 4.527 -0.000 0.000 0.295 713 F C 2.276 178.149 175.800 0.122 0.000 1.091 713 F CA 0.938 58.993 58.000 0.092 0.000 1.308 713 F CB -1.162 37.884 39.000 0.076 0.000 1.030 713 F HN -0.082 nan 8.300 nan 0.000 0.487 714 E N 0.552 120.934 120.200 0.303 0.000 2.118 714 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 714 E C 2.164 178.963 176.600 0.332 0.000 0.992 714 E CA 1.155 57.747 56.400 0.320 0.000 0.804 714 E CB -0.328 29.580 29.700 0.346 0.000 0.741 714 E HN 0.394 nan 8.360 nan 0.000 0.458 715 A N 0.206 123.174 122.820 0.247 0.000 2.238 715 A HA 0.257 4.577 4.320 -0.000 0.000 0.208 715 A C 1.618 179.251 177.584 0.082 0.000 1.177 715 A CA 0.703 52.832 52.037 0.154 0.000 0.804 715 A CB -0.238 18.849 19.000 0.146 0.000 0.823 715 A HN 0.314 nan 8.150 nan 0.000 0.482 716 G N -0.889 107.977 108.800 0.110 0.000 2.198 716 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.257 716 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.257 716 G C 0.339 175.356 174.900 0.194 0.000 1.042 716 G CA 0.519 45.706 45.100 0.146 0.000 0.791 716 G HN 0.605 nan 8.290 nan 0.000 0.502 717 L N -0.083 121.163 121.223 0.039 0.000 2.910 717 L HA 0.338 4.677 4.340 -0.000 0.000 0.252 717 L C 2.492 179.090 176.870 -0.454 0.000 1.195 717 L CA 0.263 54.999 54.840 -0.174 0.000 1.003 717 L CB 0.127 42.079 42.059 -0.178 0.000 1.328 717 L HN 0.243 nan 8.230 nan 0.000 0.540 718 G N 1.796 110.445 108.800 -0.252 0.000 2.505 718 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.220 718 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.220 718 G C 1.395 176.228 174.900 -0.112 0.000 1.145 718 G CA 1.422 46.387 45.100 -0.225 0.000 0.761 718 G HN 0.552 nan 8.290 nan 0.000 0.571 719 F N 1.329 121.303 119.950 0.039 0.000 2.184 719 F HA 0.028 4.555 4.527 -0.000 0.000 0.301 719 F C 2.416 178.219 175.800 0.005 0.000 1.076 719 F CA 0.975 58.999 58.000 0.040 0.000 1.295 719 F CB -0.659 38.367 39.000 0.043 0.000 1.026 719 F HN 0.195 nan 8.300 nan 0.000 0.494 720 A N 0.450 122.748 122.820 -0.871 0.000 2.251 720 A HA 0.367 4.687 4.320 -0.000 0.000 0.209 720 A C 0.535 177.871 177.584 -0.414 0.000 1.187 720 A CA 0.245 51.893 52.037 -0.648 0.000 0.823 720 A CB -0.678 17.797 19.000 -0.875 0.000 0.846 720 A HN 0.159 nan 8.150 nan 0.000 0.486 721 V N 0.794 120.510 119.914 -0.330 0.000 2.370 721 V HA 0.543 4.663 4.120 -0.000 0.000 0.279 721 V C 0.459 176.493 176.094 -0.100 0.000 1.029 721 V CA -0.170 61.977 62.300 -0.253 0.000 0.870 721 V CB 0.892 32.602 31.823 -0.188 0.000 0.984 721 V HN 0.323 nan 8.190 nan 0.000 0.451 722 K N 4.881 125.182 120.400 -0.165 0.000 2.231 722 K HA 0.392 4.712 4.320 -0.000 0.000 0.255 722 K C 0.707 177.380 176.600 0.122 0.000 1.108 722 K CA -0.519 55.748 56.287 -0.033 0.000 0.997 722 K CB 0.396 32.846 32.500 -0.083 0.000 1.549 722 K HN 0.591 nan 8.250 nan 0.000 0.419 723 M N 0.698 120.423 119.600 0.208 0.000 2.358 723 M HA -0.051 4.429 4.480 -0.000 0.000 0.264 723 M C 2.293 178.735 176.300 0.237 0.000 1.064 723 M CA 1.617 57.100 55.300 0.306 0.000 1.093 723 M CB -0.934 31.802 32.600 0.228 0.000 1.401 723 M HN 0.734 nan 8.290 nan 0.000 0.440 724 A N -0.194 122.726 122.820 0.167 0.000 2.066 724 A HA -0.077 4.242 4.320 -0.000 0.000 0.218 724 A C 1.198 178.862 177.584 0.134 0.000 1.157 724 A CA 0.420 52.529 52.037 0.119 0.000 0.670 724 A CB -0.406 18.644 19.000 0.083 0.000 0.804 724 A HN 0.374 nan 8.150 nan 0.000 0.453 725 K N -0.094 120.422 120.400 0.194 0.000 2.569 725 K HA 0.128 4.447 4.320 -0.000 0.000 0.280 725 K C 1.528 178.232 176.600 0.174 0.000 0.984 725 K CA 0.407 56.821 56.287 0.211 0.000 1.064 725 K CB 0.317 33.020 32.500 0.338 0.000 0.866 725 K HN 0.507 nan 8.250 nan 0.000 0.492 726 E N 2.209 122.475 120.200 0.111 0.000 2.049 726 E HA -0.158 4.192 4.350 -0.000 0.000 0.198 726 E C 0.829 177.452 176.600 0.038 0.000 1.007 726 E CA 1.954 58.390 56.400 0.060 0.000 0.809 726 E CB 0.067 29.794 29.700 0.045 0.000 0.749 726 E HN 0.504 nan 8.360 nan 0.000 0.450 727 S N -1.182 114.570 115.700 0.088 0.000 2.572 727 S HA 0.628 5.098 4.470 -0.000 0.000 0.274 727 S C -1.410 173.298 174.600 0.179 0.000 1.150 727 S CA -0.317 57.901 58.200 0.031 0.000 0.944 727 S CB 0.451 63.669 63.200 0.029 0.000 1.071 727 S HN 0.980 nan 8.310 nan 0.000 0.479 728 F N 1.753 121.691 119.950 -0.020 0.000 2.708 728 F HA 0.554 5.080 4.527 -0.000 0.000 0.309 728 F C -1.154 174.603 175.800 -0.073 0.000 1.120 728 F CA -1.399 56.575 58.000 -0.043 0.000 0.978 728 F CB 0.359 39.333 39.000 -0.044 0.000 1.283 728 F HN 0.401 nan 8.300 nan 0.000 0.439 729 I N 3.107 123.726 120.570 0.082 0.000 2.828 729 I HA 0.249 4.419 4.170 -0.000 0.000 0.292 729 I C 1.304 177.386 176.117 -0.058 0.000 1.206 729 I CA 1.832 63.040 61.300 -0.153 0.000 1.420 729 I CB -0.063 37.795 38.000 -0.236 0.000 1.368 729 I HN 1.179 nan 8.210 nan 0.000 0.556 730 G N 4.960 113.654 108.800 -0.177 0.000 2.213 730 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.236 730 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.236 730 G C 1.158 175.974 174.900 -0.140 0.000 0.991 730 G CA 0.383 45.442 45.100 -0.068 0.000 0.629 730 G HN 0.695 nan 8.290 nan 0.000 0.517 731 K N 0.739 120.814 120.400 -0.542 0.000 2.032 731 K HA 0.001 4.321 4.320 -0.000 0.000 0.209 731 K C 2.643 179.068 176.600 -0.292 0.000 1.048 731 K CA 2.317 58.116 56.287 -0.813 0.000 0.927 731 K CB -0.839 30.780 32.500 -1.468 0.000 0.712 731 K HN 0.481 nan 8.250 nan 0.000 0.441 732 G N 0.234 108.907 108.800 -0.212 0.000 2.422 732 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 732 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 732 G C 1.590 176.464 174.900 -0.044 0.000 1.146 732 G CA 0.832 45.870 45.100 -0.103 0.000 0.769 732 G HN 0.459 nan 8.290 nan 0.000 0.547 733 A N 0.323 123.130 122.820 -0.022 0.000 1.978 733 A HA 0.133 4.452 4.320 -0.000 0.000 0.220 733 A C 2.196 179.808 177.584 0.047 0.000 1.170 733 A CA 1.017 53.066 52.037 0.019 0.000 0.636 733 A CB -0.247 18.775 19.000 0.037 0.000 0.810 733 A HN 0.371 nan 8.150 nan 0.000 0.448 734 L N -0.101 121.164 121.223 0.070 0.000 2.607 734 L HA 0.043 4.383 4.340 -0.000 0.000 0.228 734 L C 0.180 177.094 176.870 0.073 0.000 1.123 734 L CA -0.349 54.587 54.840 0.161 0.000 0.890 734 L CB -0.057 42.211 42.059 0.349 0.000 1.103 734 L HN 0.166 nan 8.230 nan 0.000 0.468 735 E N 0.513 120.722 120.200 0.015 0.000 2.652 735 E HA 0.156 4.505 4.350 -0.000 0.000 0.255 735 E C 1.244 177.814 176.600 -0.050 0.000 0.952 735 E CA 0.727 57.116 56.400 -0.018 0.000 0.947 735 E CB 0.508 30.194 29.700 -0.024 0.000 0.912 735 E HN 0.607 nan 8.360 nan 0.000 0.489 736 G N 3.093 111.845 108.800 -0.080 0.000 2.245 736 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.264 736 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.264 736 G C 0.440 175.230 174.900 -0.183 0.000 0.985 736 G CA 0.581 45.618 45.100 -0.104 0.000 0.625 736 G HN 0.565 nan 8.290 nan 0.000 0.536 737 R N 0.946 121.275 120.500 -0.286 0.000 2.490 737 R HA 0.591 4.931 4.340 -0.000 0.000 0.278 737 R C 0.595 176.415 176.300 -0.801 0.000 1.069 737 R CA 0.599 56.445 56.100 -0.423 0.000 1.080 737 R CB 0.897 30.998 30.300 -0.332 0.000 1.030 737 R HN 0.444 nan 8.270 nan 0.000 0.491 738 T N -2.822 111.417 114.554 -0.526 0.000 2.865 738 T HA 0.212 4.562 4.350 -0.000 0.000 0.294 738 T C 0.670 175.331 174.700 -0.065 0.000 1.119 738 T CA -1.049 60.807 62.100 -0.407 0.000 1.007 738 T CB 1.796 70.564 68.868 -0.168 0.000 1.225 738 T HN 0.553 nan 8.240 nan 0.000 0.515 739 E N 0.313 120.599 120.200 0.143 0.000 2.106 739 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 739 E C 1.603 178.266 176.600 0.105 0.000 0.984 739 E CA 1.276 57.798 56.400 0.204 0.000 0.806 739 E CB -0.039 29.794 29.700 0.222 0.000 0.750 739 E HN 0.688 nan 8.360 nan 0.000 0.458 740 E N 0.746 120.982 120.200 0.060 0.000 2.110 740 E HA -0.111 4.238 4.350 -0.000 0.000 0.193 740 E C 1.636 178.249 176.600 0.022 0.000 0.988 740 E CA 1.194 57.614 56.400 0.034 0.000 0.804 740 E CB -0.096 29.616 29.700 0.020 0.000 0.745 740 E HN 0.254 nan 8.360 nan 0.000 0.458 741 A N 0.177 123.003 122.820 0.009 0.000 2.275 741 A HA 0.150 4.470 4.320 -0.000 0.000 0.212 741 A C 0.814 178.412 177.584 0.023 0.000 1.201 741 A CA -0.149 51.890 52.037 0.003 0.000 0.843 741 A CB 0.136 19.121 19.000 -0.025 0.000 0.873 741 A HN 0.047 nan 8.150 nan 0.000 0.492 742 S N 0.391 116.123 115.700 0.054 0.000 2.533 742 S HA 0.341 4.811 4.470 -0.000 0.000 0.282 742 S C 1.517 176.160 174.600 0.072 0.000 1.304 742 S CA 0.175 58.427 58.200 0.086 0.000 1.063 742 S CB 1.300 64.588 63.200 0.146 0.000 0.881 742 S HN 0.612 nan 8.310 nan 0.000 0.493 743 A N 4.597 127.457 122.820 0.067 0.000 2.015 743 A HA -0.018 4.302 4.320 -0.000 0.000 0.219 743 A C 0.903 178.531 177.584 0.073 0.000 1.163 743 A CA 1.028 53.099 52.037 0.056 0.000 0.646 743 A CB 0.045 19.073 19.000 0.046 0.000 0.806 743 A HN 0.687 nan 8.150 nan 0.000 0.448 744 R N -0.495 120.072 120.500 0.112 0.000 2.621 744 R HA 0.674 5.014 4.340 -0.000 0.000 0.292 744 R C -1.160 175.283 176.300 0.239 0.000 0.969 744 R CA -0.457 55.742 56.100 0.165 0.000 0.887 744 R CB 1.752 32.164 30.300 0.186 0.000 1.180 744 R HN 0.279 nan 8.270 nan 0.000 0.450 745 R N 1.286 121.908 120.500 0.203 0.000 2.673 745 R HA 0.407 4.747 4.340 -0.000 0.000 0.281 745 R C -0.623 175.614 176.300 -0.105 0.000 0.991 745 R CA -0.974 55.197 56.100 0.118 0.000 0.896 745 R CB 2.344 32.673 30.300 0.049 0.000 1.201 745 R HN 0.366 nan 8.270 nan 0.000 0.457 746 L N 3.542 124.549 121.223 -0.359 0.000 2.361 746 L HA 0.309 4.649 4.340 -0.000 0.000 0.278 746 L C -0.432 176.287 176.870 -0.252 0.000 1.113 746 L CA -0.007 54.426 54.840 -0.678 0.000 0.849 746 L CB 0.183 41.833 42.059 -0.682 0.000 1.155 746 L HN 0.420 nan 8.230 nan 0.000 0.452 747 R N 3.386 123.735 120.500 -0.251 0.000 2.740 747 R HA 0.316 4.656 4.340 -0.000 0.000 0.282 747 R C -1.019 174.986 176.300 -0.492 0.000 0.969 747 R CA -0.601 55.350 56.100 -0.248 0.000 0.918 747 R CB 1.577 31.748 30.300 -0.214 0.000 1.175 747 R HN 0.623 nan 8.270 nan 0.000 0.464 748 C N 4.331 123.259 119.300 -0.620 0.000 2.435 748 C HA 0.560 5.019 4.460 -0.000 0.000 0.375 748 C C -0.098 174.562 174.990 -0.549 0.000 1.281 748 C CA -0.434 57.969 59.018 -1.024 0.000 1.963 748 C CB -0.973 26.351 27.740 -0.694 0.000 2.490 748 C HN 0.577 nan 8.230 nan 0.000 0.557 749 L N 6.463 127.389 121.223 -0.496 0.000 2.329 749 L HA 0.589 4.929 4.340 -0.000 0.000 0.279 749 L C 0.501 177.236 176.870 -0.225 0.000 1.014 749 L CA -0.192 54.485 54.840 -0.271 0.000 0.814 749 L CB 2.110 44.057 42.059 -0.186 0.000 1.257 749 L HN 0.768 nan 8.230 nan 0.000 0.424 750 T N -0.564 113.889 114.554 -0.168 0.000 2.855 750 T HA 0.666 5.016 4.350 -0.000 0.000 0.281 750 T C -0.389 174.247 174.700 -0.107 0.000 1.007 750 T CA -0.707 61.304 62.100 -0.148 0.000 1.009 750 T CB 1.872 70.652 68.868 -0.147 0.000 0.983 750 T HN 0.157 nan 8.240 nan 0.000 0.455 751 I N 3.307 123.818 120.570 -0.099 0.000 2.352 751 I HA 0.231 4.401 4.170 -0.000 0.000 0.290 751 I C 1.019 177.103 176.117 -0.054 0.000 1.036 751 I CA -0.313 60.949 61.300 -0.063 0.000 1.336 751 I CB 0.863 38.831 38.000 -0.053 0.000 1.407 751 I HN 0.684 nan 8.210 nan 0.000 0.497 752 D N 3.169 123.547 120.400 -0.037 0.000 2.117 752 D HA -0.199 4.441 4.640 -0.000 0.000 0.197 752 D C 1.521 177.806 176.300 -0.025 0.000 0.987 752 D CA 1.520 55.501 54.000 -0.032 0.000 0.829 752 D CB -0.129 40.658 40.800 -0.021 0.000 0.961 752 D HN 0.699 nan 8.370 nan 0.000 0.460 753 D N -0.584 119.808 120.400 -0.014 0.000 2.392 753 D HA 0.002 4.642 4.640 -0.000 0.000 0.228 753 D C 1.575 177.877 176.300 0.004 0.000 1.003 753 D CA 1.097 55.095 54.000 -0.004 0.000 0.917 753 D CB -0.507 40.295 40.800 0.003 0.000 0.890 753 D HN 0.260 nan 8.370 nan 0.000 0.532 754 G N -0.237 108.562 108.800 -0.001 0.000 2.189 754 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.267 754 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.267 754 G C 1.166 176.133 174.900 0.113 0.000 0.975 754 G CA 1.320 46.435 45.100 0.026 0.000 0.644 754 G HN 0.818 nan 8.290 nan 0.000 0.537 755 R N -2.697 117.851 120.500 0.081 0.000 2.729 755 R HA 0.447 4.787 4.340 -0.000 0.000 0.215 755 R C 0.992 177.322 176.300 0.051 0.000 0.970 755 R CA 1.120 57.276 56.100 0.094 0.000 1.196 755 R CB -0.785 29.542 30.300 0.044 0.000 1.670 755 R HN 0.836 nan 8.270 nan 0.000 0.575 756 S N 2.216 117.924 115.700 0.013 0.000 2.686 756 S HA 0.407 4.877 4.470 -0.000 0.000 0.324 756 S C 0.288 174.824 174.600 -0.107 0.000 1.172 756 S CA -0.341 57.833 58.200 -0.043 0.000 1.127 756 S CB -0.563 62.618 63.200 -0.031 0.000 1.338 756 S HN 0.373 nan 8.310 nan 0.000 0.547 757 I N 3.794 124.300 120.570 -0.107 0.000 2.588 757 I HA 0.149 4.319 4.170 -0.000 0.000 0.283 757 I C 0.546 176.493 176.117 -0.282 0.000 1.119 757 I CA -0.338 60.911 61.300 -0.085 0.000 1.419 757 I CB 0.613 38.634 38.000 0.034 0.000 1.394 757 I HN 0.318 nan 8.210 nan 0.000 0.562 758 V N 4.966 124.803 119.914 -0.129 0.000 3.096 758 V HA 0.508 4.628 4.120 -0.000 0.000 0.319 758 V C 0.106 176.288 176.094 0.146 0.000 1.103 758 V CA -0.638 61.631 62.300 -0.052 0.000 1.016 758 V CB 2.091 33.934 31.823 0.033 0.000 1.090 758 V HN 0.747 nan 8.190 nan 0.000 0.449 759 L N 0.866 122.255 121.223 0.277 0.000 2.766 759 L HA 0.734 5.074 4.340 -0.000 0.000 0.241 759 L C 0.964 177.998 176.870 0.273 0.000 1.080 759 L CA 0.766 55.787 54.840 0.301 0.000 0.909 759 L CB 0.995 43.288 42.059 0.390 0.000 1.277 759 L HN 1.188 nan 8.230 nan 0.000 0.510 760 G N -0.217 108.749 108.800 0.276 0.000 2.306 760 G HA2 0.084 4.044 3.960 -0.000 0.000 0.340 760 G HA3 0.084 4.044 3.960 -0.000 0.000 0.340 760 G C -0.088 174.993 174.900 0.302 0.000 1.630 760 G CA -0.383 44.884 45.100 0.278 0.000 0.937 760 G HN 0.023 nan 8.290 nan 0.000 0.693 761 K N -1.179 119.422 120.400 0.335 0.000 3.587 761 K HA -0.186 4.133 4.320 -0.000 0.000 0.294 761 K C 0.533 177.208 176.600 0.126 0.000 1.279 761 K CA 1.808 58.271 56.287 0.293 0.000 1.004 761 K CB -0.833 31.878 32.500 0.351 0.000 1.276 761 K HN 0.699 nan 8.250 nan 0.000 0.459 762 E N 2.343 122.634 120.200 0.151 0.000 2.414 762 E HA 0.048 4.397 4.350 -0.000 0.000 0.263 762 E C -2.275 174.357 176.600 0.052 0.000 1.000 762 E CA -1.314 55.129 56.400 0.072 0.000 0.914 762 E CB 0.270 30.062 29.700 0.153 0.000 0.948 762 E HN 0.088 nan 8.360 nan 0.000 0.444 763 P HA 0.010 nan 4.420 nan 0.000 0.271 763 P C -0.765 176.503 177.300 -0.054 0.000 1.218 763 P CA -0.155 62.879 63.100 -0.111 0.000 0.780 763 P CB 0.800 32.353 31.700 -0.245 0.000 0.901 764 V N 3.703 123.523 119.914 -0.158 0.000 2.417 764 V HA 0.388 4.508 4.120 -0.000 0.000 0.291 764 V C -0.128 175.845 176.094 -0.203 0.000 1.024 764 V CA -0.326 61.944 62.300 -0.049 0.000 0.861 764 V CB 0.672 32.496 31.823 0.003 0.000 0.985 764 V HN 0.337 nan 8.190 nan 0.000 0.436 765 F N 3.934 123.930 119.950 0.077 0.000 2.458 765 F HA 0.572 5.099 4.527 -0.000 0.000 0.336 765 F C -0.499 175.387 175.800 0.143 0.000 1.114 765 F CA -0.751 57.301 58.000 0.087 0.000 0.987 765 F CB 1.543 40.568 39.000 0.042 0.000 1.130 765 F HN 0.472 nan 8.300 nan 0.000 0.458 766 Y N 3.141 123.537 120.300 0.160 0.000 2.341 766 Y HA 0.357 4.907 4.550 -0.000 0.000 0.338 766 Y C 0.277 176.240 175.900 0.106 0.000 0.965 766 Y CA -1.801 56.361 58.100 0.102 0.000 1.108 766 Y CB 1.167 39.660 38.460 0.055 0.000 1.180 766 Y HN 0.684 nan 8.280 nan 0.000 0.458 767 K N 5.302 125.379 120.400 -0.539 0.000 3.078 767 K HA -0.287 4.033 4.320 -0.000 0.000 0.261 767 K C -0.206 176.332 176.600 -0.102 0.000 0.947 767 K CA 1.193 57.253 56.287 -0.378 0.000 0.702 767 K CB -0.718 31.478 32.500 -0.507 0.000 1.318 767 K HN 0.850 nan 8.250 nan 0.000 0.473 768 E N -2.229 117.975 120.200 0.006 0.000 3.763 768 E HA -0.199 4.151 4.350 -0.000 0.000 0.319 768 E C -0.494 176.244 176.600 0.230 0.000 0.804 768 E CA 1.297 57.736 56.400 0.066 0.000 1.196 768 E CB -0.849 28.843 29.700 -0.014 0.000 1.607 768 E HN 0.600 nan 8.360 nan 0.000 0.431 769 Q N -0.470 119.497 119.800 0.279 0.000 2.342 769 Q HA 0.689 5.029 4.340 -0.000 0.000 0.267 769 Q C -0.137 175.973 176.000 0.185 0.000 1.038 769 Q CA -0.166 55.796 55.803 0.264 0.000 0.832 769 Q CB 2.076 30.903 28.738 0.149 0.000 1.323 769 Q HN 0.161 nan 8.270 nan 0.000 0.448 770 A N 1.769 124.562 122.820 -0.045 0.000 2.395 770 A HA 0.350 4.670 4.320 -0.000 0.000 0.286 770 A C 0.828 178.313 177.584 -0.164 0.000 1.193 770 A CA -0.295 51.438 52.037 -0.506 0.000 0.852 770 A CB -0.245 18.433 19.000 -0.537 0.000 1.118 770 A HN 0.586 nan 8.150 nan 0.000 0.524 771 V N 0.493 120.337 119.914 -0.116 0.000 3.432 771 V HA 0.666 4.786 4.120 -0.000 0.000 0.298 771 V C 0.543 176.649 176.094 0.020 0.000 1.464 771 V CA 0.584 62.887 62.300 0.005 0.000 1.046 771 V CB -0.460 31.402 31.823 0.064 0.000 0.887 771 V HN 1.361 nan 8.190 nan 0.000 0.441 772 G N 0.097 108.894 108.800 -0.005 0.000 2.490 772 G HA2 0.635 4.595 3.960 -0.000 0.000 0.308 772 G HA3 0.635 4.595 3.960 -0.000 0.000 0.308 772 G C -1.758 173.195 174.900 0.088 0.000 1.286 772 G CA -0.126 44.988 45.100 0.023 0.000 0.825 772 G HN 1.100 nan 8.290 nan 0.000 0.479 773 Y N -2.256 118.089 120.300 0.074 0.000 2.573 773 Y HA 0.620 5.170 4.550 -0.000 0.000 0.328 773 Y C -0.763 175.209 175.900 0.120 0.000 1.170 773 Y CA -1.559 56.575 58.100 0.058 0.000 1.078 773 Y CB 0.758 39.263 38.460 0.075 0.000 1.341 773 Y HN 0.545 nan 8.280 nan 0.000 0.459 774 V N 3.388 123.451 119.914 0.249 0.000 2.485 774 V HA 0.109 4.229 4.120 -0.000 0.000 0.287 774 V C 1.089 177.364 176.094 0.302 0.000 1.022 774 V CA 1.034 63.450 62.300 0.194 0.000 1.067 774 V CB 0.661 32.598 31.823 0.192 0.000 0.967 774 V HN 1.136 nan 8.190 nan 0.000 0.479 775 T N 1.552 116.223 114.554 0.195 0.000 2.837 775 T HA 0.101 4.451 4.350 -0.000 0.000 0.248 775 T C 0.762 175.592 174.700 0.215 0.000 1.033 775 T CA 0.388 62.633 62.100 0.242 0.000 1.150 775 T CB 0.197 69.152 68.868 0.146 0.000 0.865 775 T HN 0.512 nan 8.240 nan 0.000 0.425 776 S N 0.126 115.940 115.700 0.189 0.000 2.599 776 S HA 0.857 5.327 4.470 -0.000 0.000 0.287 776 S C -0.992 173.726 174.600 0.198 0.000 1.105 776 S CA -0.413 57.893 58.200 0.177 0.000 0.899 776 S CB 1.920 65.182 63.200 0.103 0.000 1.100 776 S HN 0.966 nan 8.310 nan 0.000 0.482 777 A N 0.547 123.476 122.820 0.181 0.000 2.601 777 A HA 0.985 5.305 4.320 -0.000 0.000 0.291 777 A C -1.388 176.284 177.584 0.146 0.000 1.075 777 A CA -0.247 51.882 52.037 0.153 0.000 0.671 777 A CB 1.072 20.158 19.000 0.143 0.000 1.277 777 A HN 1.657 nan 8.150 nan 0.000 0.417 778 A N -0.548 122.331 122.820 0.098 0.000 2.544 778 A HA 0.605 4.924 4.320 -0.000 0.000 0.291 778 A C -1.757 175.840 177.584 0.020 0.000 1.055 778 A CA -0.493 51.606 52.037 0.104 0.000 0.651 778 A CB 0.083 19.147 19.000 0.106 0.000 1.296 778 A HN 1.937 nan 8.150 nan 0.000 0.431 779 Y N 1.161 121.377 120.300 -0.140 0.000 2.402 779 Y HA 0.450 4.999 4.550 -0.000 0.000 0.333 779 Y C 0.977 176.564 175.900 -0.522 0.000 1.076 779 Y CA 0.811 58.719 58.100 -0.320 0.000 1.299 779 Y CB 0.925 39.143 38.460 -0.403 0.000 1.197 779 Y HN 0.869 nan 8.280 nan 0.000 0.517 780 G N 6.014 114.332 108.800 -0.804 0.000 2.394 780 G HA2 0.055 4.015 3.960 -0.000 0.000 0.298 780 G HA3 0.055 4.015 3.960 -0.000 0.000 0.298 780 G C -0.202 174.374 174.900 -0.540 0.000 1.087 780 G CA -0.336 44.423 45.100 -0.570 0.000 1.035 780 G HN 0.936 nan 8.290 nan 0.000 0.420 781 Y N 1.734 122.108 120.300 0.123 0.000 2.352 781 Y HA -0.127 4.423 4.550 -0.000 0.000 0.292 781 Y C 2.922 178.858 175.900 0.060 0.000 1.136 781 Y CA 1.573 59.856 58.100 0.305 0.000 1.227 781 Y CB 0.049 38.809 38.460 0.501 0.000 0.991 781 Y HN 0.493 nan 8.280 nan 0.000 0.545 782 T N -0.716 113.873 114.554 0.058 0.000 2.852 782 T HA -0.101 4.249 4.350 -0.000 0.000 0.256 782 T C 1.977 176.522 174.700 -0.259 0.000 1.038 782 T CA 1.506 63.481 62.100 -0.208 0.000 1.141 782 T CB -0.643 68.138 68.868 -0.145 0.000 0.869 782 T HN 0.324 nan 8.240 nan 0.000 0.439 783 V N -0.715 119.078 119.914 -0.202 0.000 3.541 783 V HA 0.631 4.750 4.120 -0.000 0.000 0.267 783 V C 1.325 177.275 176.094 -0.240 0.000 1.213 783 V CA 0.079 62.259 62.300 -0.200 0.000 1.149 783 V CB -1.345 30.372 31.823 -0.176 0.000 0.822 783 V HN 0.540 nan 8.190 nan 0.000 0.462 784 A N 0.336 122.986 122.820 -0.284 0.000 2.846 784 A HA -0.160 4.159 4.320 -0.000 0.000 0.287 784 A C 0.294 177.689 177.584 -0.314 0.000 1.469 784 A CA 1.507 53.428 52.037 -0.194 0.000 0.757 784 A CB -2.287 16.658 19.000 -0.091 0.000 1.033 784 A HN 1.034 nan 8.150 nan 0.000 0.516 785 K N -2.555 117.390 120.400 -0.759 0.000 2.575 785 K HA 0.681 5.001 4.320 -0.000 0.000 0.279 785 K C -3.623 172.489 176.600 -0.814 0.000 0.969 785 K CA -2.281 53.645 56.287 -0.602 0.000 0.868 785 K CB 1.375 33.707 32.500 -0.281 0.000 1.457 785 K HN -0.000 nan 8.250 nan 0.000 0.426 786 P HA 0.255 nan 4.420 nan 0.000 0.271 786 P C -0.741 176.432 177.300 -0.211 0.000 1.216 786 P CA -0.134 62.829 63.100 -0.228 0.000 0.776 786 P CB 0.444 32.124 31.700 -0.033 0.000 0.881 787 I N 1.443 121.913 120.570 -0.166 0.000 2.569 787 I HA 0.741 4.910 4.170 -0.000 0.000 0.296 787 I C -0.154 175.933 176.117 -0.050 0.000 1.028 787 I CA -0.884 60.339 61.300 -0.128 0.000 1.082 787 I CB 2.178 40.114 38.000 -0.108 0.000 1.264 787 I HN 0.274 nan 8.210 nan 0.000 0.429 788 A N 4.542 127.316 122.820 -0.077 0.000 2.486 788 A HA 0.754 5.074 4.320 -0.000 0.000 0.300 788 A C -1.785 175.720 177.584 -0.132 0.000 1.048 788 A CA -0.383 51.647 52.037 -0.013 0.000 0.696 788 A CB 1.057 20.054 19.000 -0.006 0.000 1.278 788 A HN 0.552 nan 8.150 nan 0.000 0.405 789 Y N 0.623 120.889 120.300 -0.057 0.000 2.361 789 Y HA 0.682 5.232 4.550 -0.000 0.000 0.332 789 Y C 0.855 176.676 175.900 -0.132 0.000 1.101 789 Y CA 0.291 58.324 58.100 -0.112 0.000 1.137 789 Y CB 2.170 40.556 38.460 -0.123 0.000 1.207 789 Y HN 0.719 nan 8.280 nan 0.000 0.463 790 S N 2.171 117.798 115.700 -0.121 0.000 2.533 790 S HA 0.442 4.912 4.470 -0.000 0.000 0.271 790 S C -1.660 172.781 174.600 -0.265 0.000 1.143 790 S CA -0.720 57.374 58.200 -0.177 0.000 0.891 790 S CB 0.350 63.473 63.200 -0.129 0.000 1.105 790 S HN 0.445 nan 8.310 nan 0.000 0.468 791 Y N 2.945 123.110 120.300 -0.224 0.000 2.597 791 Y HA 0.432 4.982 4.550 -0.000 0.000 0.336 791 Y C 0.482 176.314 175.900 -0.114 0.000 1.216 791 Y CA 0.476 58.489 58.100 -0.145 0.000 1.463 791 Y CB 0.410 38.797 38.460 -0.121 0.000 1.303 791 Y HN 0.499 nan 8.280 nan 0.000 0.576 792 L N 4.236 125.484 121.223 0.043 0.000 2.424 792 L HA 0.460 4.800 4.340 -0.000 0.000 0.258 792 L C -2.616 174.262 176.870 0.013 0.000 0.995 792 L CA -2.516 52.319 54.840 -0.008 0.000 0.821 792 L CB 2.509 44.514 42.059 -0.090 0.000 1.383 792 L HN 0.346 nan 8.230 nan 0.000 0.410 793 P HA -0.001 nan 4.420 nan 0.000 0.267 793 P C 0.601 177.881 177.300 -0.033 0.000 1.200 793 P CA 0.164 63.261 63.100 -0.005 0.000 0.772 793 P CB 0.726 32.413 31.700 -0.022 0.000 0.855 794 G N 1.741 110.540 108.800 -0.002 0.000 2.462 794 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.220 794 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.220 794 G C 1.549 176.427 174.900 -0.037 0.000 1.121 794 G CA 1.450 46.546 45.100 -0.006 0.000 0.758 794 G HN 0.605 nan 8.290 nan 0.000 0.559 795 T N 0.255 114.781 114.554 -0.046 0.000 2.881 795 T HA 0.249 4.599 4.350 -0.000 0.000 0.270 795 T C 1.182 175.803 174.700 -0.131 0.000 1.068 795 T CA 0.920 62.985 62.100 -0.057 0.000 1.131 795 T CB -0.259 68.594 68.868 -0.026 0.000 0.871 795 T HN 0.073 nan 8.240 nan 0.000 0.479 796 V N 2.488 122.265 119.914 -0.229 0.000 2.572 796 V HA 0.391 4.511 4.120 -0.000 0.000 0.291 796 V C 0.316 176.289 176.094 -0.201 0.000 1.039 796 V CA -0.646 61.435 62.300 -0.364 0.000 1.055 796 V CB 1.179 32.687 31.823 -0.525 0.000 0.969 796 V HN 0.407 nan 8.190 nan 0.000 0.482 797 S N 2.867 118.468 115.700 -0.165 0.000 2.607 797 S HA 0.552 5.022 4.470 -0.000 0.000 0.303 797 S C -0.246 174.303 174.600 -0.085 0.000 1.086 797 S CA -0.681 57.463 58.200 -0.094 0.000 0.995 797 S CB 1.968 65.133 63.200 -0.058 0.000 1.084 797 S HN 0.485 nan 8.310 nan 0.000 0.507 798 V N 2.256 122.128 119.914 -0.069 0.000 2.681 798 V HA 0.265 4.385 4.120 -0.000 0.000 0.306 798 V C 1.562 177.626 176.094 -0.050 0.000 1.077 798 V CA 1.683 63.944 62.300 -0.065 0.000 1.224 798 V CB -0.419 31.369 31.823 -0.058 0.000 0.879 798 V HN 1.322 nan 8.190 nan 0.000 0.494 799 G N 3.457 112.227 108.800 -0.049 0.000 2.241 799 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.244 799 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.244 799 G C 0.013 174.909 174.900 -0.008 0.000 0.998 799 G CA 0.115 45.197 45.100 -0.030 0.000 0.621 799 G HN 0.691 nan 8.290 nan 0.000 0.519 800 D N 0.490 120.886 120.400 -0.008 0.000 2.361 800 D HA 0.494 5.134 4.640 -0.000 0.000 0.239 800 D C 0.579 176.919 176.300 0.065 0.000 1.200 800 D CA 0.980 55.011 54.000 0.050 0.000 0.915 800 D CB 1.344 42.156 40.800 0.020 0.000 1.170 800 D HN 0.311 nan 8.370 nan 0.000 0.444 801 S N -0.179 115.604 115.700 0.138 0.000 2.501 801 S HA 0.692 5.162 4.470 -0.000 0.000 0.301 801 S C -0.682 174.028 174.600 0.183 0.000 1.096 801 S CA -0.649 57.615 58.200 0.106 0.000 1.063 801 S CB 0.642 63.881 63.200 0.065 0.000 1.042 801 S HN 0.307 nan 8.310 nan 0.000 0.494 802 V N 1.000 120.993 119.914 0.133 0.000 3.159 802 V HA 0.736 4.855 4.120 -0.000 0.000 0.308 802 V C -1.501 174.669 176.094 0.125 0.000 1.190 802 V CA -1.027 61.379 62.300 0.176 0.000 1.037 802 V CB 2.003 33.917 31.823 0.151 0.000 1.060 802 V HN 0.728 nan 8.190 nan 0.000 0.437 803 D N 1.401 121.903 120.400 0.170 0.000 2.248 803 D HA 0.693 5.333 4.640 -0.000 0.000 0.246 803 D C -0.700 175.734 176.300 0.223 0.000 1.027 803 D CA -0.074 54.017 54.000 0.152 0.000 0.853 803 D CB 2.198 43.066 40.800 0.112 0.000 1.243 803 D HN 0.669 nan 8.370 nan 0.000 0.462 804 I N 1.205 121.875 120.570 0.167 0.000 2.389 804 I HA 0.192 4.362 4.170 -0.000 0.000 0.288 804 I C 0.366 176.604 176.117 0.201 0.000 0.999 804 I CA -0.729 60.683 61.300 0.186 0.000 1.129 804 I CB 1.751 39.822 38.000 0.118 0.000 1.288 804 I HN 0.140 nan 8.210 nan 0.000 0.444 805 E N 5.947 126.304 120.200 0.262 0.000 2.180 805 E HA 0.121 4.471 4.350 -0.000 0.000 0.283 805 E C -1.705 175.007 176.600 0.187 0.000 1.061 805 E CA -0.312 56.205 56.400 0.196 0.000 0.861 805 E CB 0.794 30.621 29.700 0.211 0.000 1.056 805 E HN 0.439 nan 8.360 nan 0.000 0.407 806 Y N 5.417 125.741 120.300 0.041 0.000 2.326 806 Y HA 0.217 4.767 4.550 -0.000 0.000 0.331 806 Y C -0.793 175.180 175.900 0.123 0.000 0.962 806 Y CA -1.186 56.951 58.100 0.062 0.000 1.167 806 Y CB 0.350 38.911 38.460 0.168 0.000 1.148 806 Y HN 0.682 nan 8.280 nan 0.000 0.463 807 F N 4.694 124.369 119.950 -0.458 0.000 3.004 807 F HA -0.224 4.303 4.527 -0.000 0.000 0.264 807 F C 1.460 177.135 175.800 -0.209 0.000 0.979 807 F CA 1.651 59.390 58.000 -0.434 0.000 0.896 807 F CB -1.106 37.538 39.000 -0.594 0.000 0.813 807 F HN 0.945 nan 8.300 nan 0.000 0.804 808 G N -0.210 108.541 108.800 -0.081 0.000 2.205 808 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.261 808 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.261 808 G C 0.368 175.260 174.900 -0.012 0.000 0.980 808 G CA 0.182 45.252 45.100 -0.050 0.000 0.632 808 G HN 0.698 nan 8.290 nan 0.000 0.533 809 R N 0.558 121.086 120.500 0.047 0.000 2.445 809 R HA 0.539 4.879 4.340 -0.000 0.000 0.308 809 R C 0.071 176.411 176.300 0.066 0.000 0.961 809 R CA -0.980 55.155 56.100 0.057 0.000 0.862 809 R CB 0.519 30.882 30.300 0.106 0.000 1.144 809 R HN 0.058 nan 8.270 nan 0.000 0.447 810 R N 4.760 125.264 120.500 0.006 0.000 2.316 810 R HA 0.222 4.562 4.340 -0.000 0.000 0.314 810 R C -0.238 176.085 176.300 0.038 0.000 1.069 810 R CA -0.000 56.100 56.100 0.001 0.000 0.959 810 R CB 0.199 30.452 30.300 -0.078 0.000 0.987 810 R HN 0.553 nan 8.270 nan 0.000 0.446 811 I N 1.940 122.549 120.570 0.065 0.000 2.378 811 I HA 0.137 4.307 4.170 -0.000 0.000 0.291 811 I C 0.378 176.520 176.117 0.041 0.000 0.992 811 I CA -0.482 60.849 61.300 0.051 0.000 1.154 811 I CB 2.016 40.048 38.000 0.053 0.000 1.315 811 I HN 0.323 nan 8.210 nan 0.000 0.448 812 T N 5.871 120.438 114.554 0.022 0.000 2.814 812 T HA 0.551 4.901 4.350 -0.000 0.000 0.297 812 T C 0.044 174.749 174.700 0.008 0.000 0.956 812 T CA -0.274 61.837 62.100 0.018 0.000 1.123 812 T CB 0.761 69.633 68.868 0.007 0.000 0.902 812 T HN 0.700 nan 8.240 nan 0.000 0.528 813 A N 3.222 126.049 122.820 0.011 0.000 2.469 813 A HA 0.824 5.144 4.320 -0.000 0.000 0.299 813 A C -0.167 177.408 177.584 -0.016 0.000 1.098 813 A CA -0.817 51.211 52.037 -0.015 0.000 0.737 813 A CB 1.693 20.679 19.000 -0.023 0.000 1.312 813 A HN 0.649 nan 8.150 nan 0.000 0.414 814 T N 0.707 115.235 114.554 -0.044 0.000 2.856 814 T HA 0.497 4.847 4.350 -0.000 0.000 0.283 814 T C -0.412 174.240 174.700 -0.080 0.000 1.008 814 T CA -0.360 61.714 62.100 -0.044 0.000 0.997 814 T CB 1.439 70.278 68.868 -0.048 0.000 0.992 814 T HN 0.526 nan 8.240 nan 0.000 0.454 815 V N 3.994 123.861 119.914 -0.078 0.000 2.479 815 V HA 0.294 4.414 4.120 -0.000 0.000 0.281 815 V C 0.532 176.558 176.094 -0.114 0.000 1.031 815 V CA 0.089 62.320 62.300 -0.115 0.000 1.038 815 V CB 0.443 32.201 31.823 -0.108 0.000 0.981 815 V HN 0.983 nan 8.190 nan 0.000 0.478 816 T N 2.986 117.451 114.554 -0.147 0.000 2.887 816 T HA 0.246 4.595 4.350 -0.000 0.000 0.288 816 T C -0.265 174.359 174.700 -0.128 0.000 1.021 816 T CA -0.442 61.581 62.100 -0.129 0.000 1.000 816 T CB 1.818 70.605 68.868 -0.136 0.000 1.034 816 T HN 0.649 nan 8.240 nan 0.000 0.467 817 E N 2.575 122.717 120.200 -0.096 0.000 2.384 817 E HA 0.225 4.575 4.350 -0.000 0.000 0.266 817 E C -0.419 176.132 176.600 -0.082 0.000 1.012 817 E CA -0.613 55.739 56.400 -0.080 0.000 0.901 817 E CB 0.226 29.887 29.700 -0.065 0.000 0.967 817 E HN 0.742 nan 8.360 nan 0.000 0.435 818 D N 2.623 122.986 120.400 -0.061 0.000 2.299 818 D HA 0.496 5.136 4.640 -0.000 0.000 0.243 818 D C -2.420 173.845 176.300 -0.058 0.000 0.982 818 D CA -2.188 51.785 54.000 -0.045 0.000 0.924 818 D CB 0.561 41.380 40.800 0.032 0.000 1.238 818 D HN 0.235 nan 8.370 nan 0.000 0.484 819 P HA 0.192 nan 4.420 nan 0.000 0.268 819 P C 0.886 178.134 177.300 -0.087 0.000 1.205 819 P CA -0.402 62.633 63.100 -0.109 0.000 0.771 819 P CB 0.792 32.387 31.700 -0.175 0.000 0.858 820 L N 0.666 121.849 121.223 -0.067 0.000 2.201 820 L HA -0.066 4.273 4.340 -0.000 0.000 0.212 820 L C 0.824 177.692 176.870 -0.002 0.000 1.105 820 L CA 1.072 55.880 54.840 -0.054 0.000 0.775 820 L CB -0.402 41.618 42.059 -0.066 0.000 0.913 820 L HN 0.439 nan 8.230 nan 0.000 0.440 821 Y N 0.144 120.352 120.300 -0.153 0.000 2.364 821 Y HA 0.215 4.764 4.550 -0.000 0.000 0.340 821 Y C -0.004 175.812 175.900 -0.140 0.000 0.975 821 Y CA -1.458 56.562 58.100 -0.135 0.000 1.089 821 Y CB 0.975 39.357 38.460 -0.130 0.000 1.192 821 Y HN 0.063 nan 8.280 nan 0.000 0.454 822 D N 6.392 126.355 120.400 -0.728 0.000 2.740 822 D HA -0.165 4.475 4.640 -0.000 0.000 0.231 822 D C -1.912 174.183 176.300 -0.343 0.000 1.194 822 D CA 0.751 54.357 54.000 -0.657 0.000 0.673 822 D CB 0.152 40.341 40.800 -1.019 0.000 0.995 822 D HN 0.508 nan 8.370 nan 0.000 0.411 823 P HA -0.147 nan 4.420 nan 0.000 0.223 823 P C 0.812 178.016 177.300 -0.160 0.000 1.151 823 P CA 0.878 63.874 63.100 -0.174 0.000 0.787 823 P CB 0.113 31.732 31.700 -0.136 0.000 0.788 824 K N -0.311 119.989 120.400 -0.166 0.000 2.522 824 K HA 0.202 4.521 4.320 -0.000 0.000 0.194 824 K C 0.775 177.282 176.600 -0.155 0.000 1.026 824 K CA -0.069 56.134 56.287 -0.140 0.000 1.119 824 K CB -0.681 31.747 32.500 -0.121 0.000 0.856 824 K HN -0.020 nan 8.250 nan 0.000 0.513 825 M N -0.073 119.416 119.600 -0.186 0.000 2.612 825 M HA -0.281 4.198 4.480 -0.000 0.000 0.194 825 M C 1.264 177.439 176.300 -0.207 0.000 0.530 825 M CA 1.214 56.392 55.300 -0.204 0.000 0.548 825 M CB -2.247 30.233 32.600 -0.200 0.000 2.013 825 M HN 0.362 nan 8.290 nan 0.000 0.711 826 T N -1.917 112.522 114.554 -0.191 0.000 2.833 826 T HA -0.114 4.236 4.350 -0.000 0.000 0.269 826 T C 1.603 176.215 174.700 -0.147 0.000 1.054 826 T CA 1.282 63.290 62.100 -0.153 0.000 1.135 826 T CB -0.088 68.698 68.868 -0.136 0.000 0.869 826 T HN 0.558 nan 8.240 nan 0.000 0.466 827 R N 0.875 121.277 120.500 -0.163 0.000 2.235 827 R HA 0.273 4.613 4.340 -0.000 0.000 0.213 827 R C 2.246 178.460 176.300 -0.144 0.000 1.059 827 R CA 0.508 56.540 56.100 -0.114 0.000 0.997 827 R CB -0.693 29.573 30.300 -0.056 0.000 0.884 827 R HN 0.455 nan 8.270 nan 0.000 0.462 828 L N -0.006 121.077 121.223 -0.232 0.000 2.408 828 L HA 0.089 4.428 4.340 -0.000 0.000 0.215 828 L C 0.893 177.514 176.870 -0.415 0.000 1.081 828 L CA 0.317 54.929 54.840 -0.380 0.000 0.840 828 L CB 0.024 41.708 42.059 -0.626 0.000 1.002 828 L HN -0.087 nan 8.230 nan 0.000 0.468 829 R N 0.468 120.791 120.500 -0.296 0.000 2.553 829 R HA 0.409 4.749 4.340 -0.000 0.000 0.263 829 R C 0.450 176.713 176.300 -0.061 0.000 1.066 829 R CA -0.045 55.956 56.100 -0.165 0.000 1.135 829 R CB -0.159 30.062 30.300 -0.132 0.000 1.148 829 R HN 0.107 nan 8.270 nan 0.000 0.558 830 G N 0.000 108.800 108.800 0.000 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 45.118 45.100 0.031 0.000 0.502 830 G HN 0.000 nan 8.290 nan 0.000 0.925