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 2shp_1_A DATA FIRST_RESID 2 DATA SEQUENCE KSRRWFHPNI TGVEAENLLL TRGVDGSFLA RPSKSNPGDL TLSVRRNGAV DATA SEQUENCE THIKIQNTGD YYDLYGGEKF ATLAELVQYY MEHHGQLKEK NGDVIELKYP DATA SEQUENCE LNCADPTSER WFHGHLSGKE AEKLLTEKGK HGSFLVRESQ SHPGDFVLSV DATA SEQUENCE RTGDXXXXXN DGKSKVTHVM IRCQELKYDV GGGERFDSLT DLVEHYKKNP DATA SEQUENCE MVETLGTVLQ LKQPLNTTRI NAAEIESRVR ELSKXXXXXX XXXXGFWEEF DATA SEQUENCE ETLQQQECKL LYSRKEGQRQ ENKNKNRYKN ILPFDHTRVV LHDXXXXXXX DATA SEQUENCE SDYINANIIM PXXXXXXXXX XXKKSYIATQ GCLQNTVNDF WRMVFQENSR DATA SEQUENCE VIVMTTKEVE RGKSKCVKYW PDEYALKEYG VMRVRNVKES AAHDYTLREL DATA SEQUENCE KLSKVGQGNT ERTVWQYHFR TWPDHGVPSD PGGVLDFLEE VHHKQESIMD DATA SEQUENCE AGPVVVHCSA GIGRTGTFIV IDILIDIIRE KGVDCDIDVP KTIQMVRSQR DATA SEQUENCE SGMVQTEAQY RSIYMAVQHY IETL 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.805 176.600 0.342 0.000 0.988 2 K CA 0.000 56.574 56.287 0.478 0.000 0.838 2 K CB 0.000 32.841 32.500 0.568 0.000 1.064 3 S N 2.360 118.157 115.700 0.161 0.000 2.803 3 S HA -0.053 nan 4.470 nan 0.000 0.228 3 S C 0.595 175.011 174.600 -0.307 0.000 0.953 3 S CA -0.168 57.998 58.200 -0.057 0.000 0.983 3 S CB -0.700 62.482 63.200 -0.029 0.000 0.784 3 S HN 0.512 8.965 8.310 0.238 0.000 0.498 4 R N -2.332 117.769 120.500 -0.665 0.000 4.024 4 R HA -0.331 nan 4.340 nan 0.000 0.372 4 R C 1.313 177.085 176.300 -0.881 0.000 1.192 4 R CA 2.114 57.512 56.100 -1.170 0.000 1.183 4 R CB -1.982 27.923 30.300 -0.658 0.000 1.672 4 R HN -0.186 7.712 8.270 -0.432 0.113 0.571 5 R N -0.888 119.247 120.500 -0.608 0.000 2.127 5 R HA -0.267 nan 4.340 nan 0.000 0.238 5 R C 1.746 177.873 176.300 -0.288 0.000 1.134 5 R CA 2.850 58.741 56.100 -0.350 0.000 0.975 5 R CB -1.016 29.185 30.300 -0.165 0.000 0.865 5 R HN -0.478 7.384 8.270 -0.470 0.125 0.447 6 W N -5.608 115.710 121.300 0.029 0.000 2.699 6 W HA -0.107 nan 4.660 nan 0.000 0.249 6 W C -1.001 175.692 176.519 0.289 0.000 1.280 6 W CA -2.206 55.193 57.345 0.090 0.000 1.345 6 W CB -1.017 28.432 29.460 -0.018 0.000 1.128 6 W HN -0.546 7.142 8.180 -0.798 0.013 0.642 7 F N 2.235 122.098 119.950 -0.146 0.000 2.424 7 F HA -0.020 nan 4.527 nan 0.000 0.356 7 F C -1.301 174.499 175.800 -0.000 0.000 1.110 7 F CA -0.177 57.832 58.000 0.015 0.000 1.161 7 F CB 0.699 39.532 39.000 -0.278 0.000 1.115 7 F HN -0.454 7.367 8.300 -0.489 0.185 0.507 8 H N 9.184 127.859 119.070 -0.657 0.000 2.661 8 H HA 0.357 nan 4.556 nan 0.000 0.290 8 H C -1.752 173.202 175.328 -0.623 0.000 1.082 8 H CA -2.331 53.438 56.048 -0.466 0.000 1.234 8 H CB 0.818 30.443 29.762 -0.228 0.000 1.387 8 H HN 0.658 8.716 8.280 -0.370 0.000 0.476 9 P HA -0.096 nan 4.420 nan 0.000 0.219 9 P C -0.899 176.481 177.300 0.134 0.000 1.150 9 P CA 0.998 64.027 63.100 -0.119 0.000 0.814 9 P CB 0.623 32.333 31.700 0.016 0.000 0.787 10 N N -0.766 117.985 118.700 0.086 0.000 2.664 10 N HA 0.087 nan 4.740 nan 0.000 0.257 10 N C -1.560 173.988 175.510 0.063 0.000 1.108 10 N CA -0.714 52.408 53.050 0.120 0.000 0.822 10 N CB 0.880 39.459 38.487 0.152 0.000 1.199 10 N HN -0.109 8.286 8.380 0.026 0.000 0.529 11 I N 1.200 121.794 120.570 0.040 0.000 2.722 11 I HA 0.078 nan 4.170 nan 0.000 0.292 11 I C -1.149 174.969 176.117 0.003 0.000 1.267 11 I CA -0.908 60.405 61.300 0.022 0.000 1.036 11 I CB 3.228 41.237 38.000 0.015 0.000 1.281 11 I HN -0.114 8.120 8.210 0.040 0.000 0.423 12 T N 7.196 121.749 114.554 -0.001 0.000 2.754 12 T HA 0.212 nan 4.350 nan 0.000 0.286 12 T C 1.370 176.053 174.700 -0.028 0.000 0.997 12 T CA 0.256 62.348 62.100 -0.015 0.000 0.982 12 T CB 1.038 69.900 68.868 -0.011 0.000 1.027 12 T HN -0.008 8.521 8.240 0.006 -0.285 0.529 13 G N 0.512 109.277 108.800 -0.057 0.000 2.418 13 G HA2 -0.248 nan 3.960 nan 0.000 0.217 13 G HA3 -0.248 nan 3.960 nan 0.000 0.217 13 G C 1.091 175.973 174.900 -0.029 0.000 1.158 13 G CA 2.420 47.459 45.100 -0.102 0.000 0.771 13 G HN 0.447 8.700 8.290 -0.061 0.000 0.545 14 V N 1.247 121.150 119.914 -0.019 0.000 2.307 14 V HA -0.271 nan 4.120 nan 0.000 0.245 14 V C 2.094 178.199 176.094 0.018 0.000 1.045 14 V CA 3.079 65.385 62.300 0.009 0.000 1.024 14 V CB -0.399 31.425 31.823 0.003 0.000 0.651 14 V HN 0.163 8.333 8.190 -0.034 0.000 0.449 15 E N 0.361 120.565 120.200 0.008 0.000 2.070 15 E HA -0.404 nan 4.350 nan 0.000 0.197 15 E C 2.212 178.812 176.600 0.001 0.000 1.004 15 E CA 3.470 59.875 56.400 0.008 0.000 0.805 15 E CB -0.526 29.179 29.700 0.009 0.000 0.744 15 E HN 0.259 8.620 8.360 0.002 0.000 0.451 16 A N -1.034 121.784 122.820 -0.004 0.000 1.877 16 A HA -0.313 nan 4.320 nan 0.000 0.216 16 A C 2.258 179.859 177.584 0.029 0.000 1.186 16 A CA 3.289 55.316 52.037 -0.015 0.000 0.620 16 A CB -0.896 18.114 19.000 0.017 0.000 0.822 16 A HN 0.070 8.219 8.150 -0.002 0.000 0.443 17 E N -1.449 118.802 120.200 0.084 0.000 2.031 17 E HA -0.482 nan 4.350 nan 0.000 0.193 17 E C 2.537 179.157 176.600 0.033 0.000 0.994 17 E CA 3.394 59.838 56.400 0.074 0.000 0.800 17 E CB -0.250 29.516 29.700 0.109 0.000 0.752 17 E HN -0.201 8.218 8.360 0.099 0.000 0.447 18 N N 0.246 118.962 118.700 0.028 0.000 2.023 18 N HA -0.399 nan 4.740 nan 0.000 0.200 18 N C 2.238 177.755 175.510 0.012 0.000 1.048 18 N CA 3.406 56.467 53.050 0.018 0.000 0.872 18 N CB 0.202 38.699 38.487 0.017 0.000 1.070 18 N HN -0.124 8.276 8.380 0.034 0.000 0.441 19 L N -0.233 120.994 121.223 0.006 0.000 2.043 19 L HA -0.310 nan 4.340 nan 0.000 0.212 19 L C 2.173 179.043 176.870 0.000 0.000 1.075 19 L CA 3.197 58.038 54.840 0.002 0.000 0.752 19 L CB -0.269 41.781 42.059 -0.016 0.000 0.891 19 L HN 0.148 8.380 8.230 0.004 0.000 0.432 20 L N -2.746 118.474 121.223 -0.004 0.000 2.093 20 L HA -0.388 nan 4.340 nan 0.000 0.208 20 L C 2.618 179.493 176.870 0.008 0.000 1.085 20 L CA 3.056 57.898 54.840 0.003 0.000 0.755 20 L CB -0.266 41.794 42.059 0.003 0.000 0.904 20 L HN -0.209 8.016 8.230 -0.008 0.000 0.435 21 L N -1.998 119.229 121.223 0.007 0.000 2.072 21 L HA -0.356 nan 4.340 nan 0.000 0.205 21 L C 2.393 179.266 176.870 0.004 0.000 1.079 21 L CA 3.148 57.992 54.840 0.007 0.000 0.752 21 L CB -0.069 41.995 42.059 0.008 0.000 0.906 21 L HN -0.097 8.138 8.230 0.008 0.000 0.436 22 T N -5.777 108.780 114.554 0.005 0.000 2.976 22 T HA -0.067 nan 4.350 nan 0.000 0.257 22 T C 1.665 176.365 174.700 0.000 0.000 1.051 22 T CA 2.309 64.411 62.100 0.003 0.000 1.141 22 T CB 0.064 68.936 68.868 0.006 0.000 0.881 22 T HN 0.310 8.554 8.240 0.007 0.000 0.461 23 R N -0.259 120.243 120.500 0.003 0.000 2.397 23 R HA 0.357 nan 4.340 nan 0.000 0.241 23 R C 0.219 176.515 176.300 -0.007 0.000 0.914 23 R CA -0.985 55.116 56.100 0.001 0.000 1.071 23 R CB 1.131 31.440 30.300 0.014 0.000 1.116 23 R HN 0.059 8.231 8.270 0.006 0.103 0.524 24 G N -1.886 106.912 108.800 -0.004 0.000 2.788 24 G HA2 0.253 nan 3.960 nan 0.000 0.293 24 G HA3 0.253 nan 3.960 nan 0.000 0.293 24 G C -2.182 172.714 174.900 -0.007 0.000 1.305 24 G CA -0.750 44.348 45.100 -0.004 0.000 1.005 24 G HN -0.752 7.490 8.290 0.000 0.048 0.496 25 V N -7.067 112.850 119.914 0.005 0.000 3.164 25 V HA 0.597 nan 4.120 nan 0.000 0.313 25 V C -0.604 175.552 176.094 0.103 0.000 1.188 25 V CA -3.465 58.847 62.300 0.020 0.000 1.058 25 V CB 2.723 34.514 31.823 -0.053 0.000 1.110 25 V HN 0.291 8.490 8.190 0.016 0.000 0.453 26 D N 1.636 122.099 120.400 0.105 0.000 2.493 26 D HA -0.189 nan 4.640 nan 0.000 0.240 26 D C 0.747 177.176 176.300 0.215 0.000 1.142 26 D CA 1.332 55.405 54.000 0.121 0.000 0.872 26 D CB -0.573 40.275 40.800 0.079 0.000 1.173 26 D HN 0.141 8.555 8.370 0.073 0.000 0.467 27 G N 3.774 112.669 108.800 0.159 0.000 2.175 27 G HA2 -0.439 nan 3.960 nan 0.000 0.244 27 G HA3 -0.439 nan 3.960 nan 0.000 0.244 27 G C 0.008 175.076 174.900 0.280 0.000 0.982 27 G CA 0.053 45.240 45.100 0.144 0.000 0.641 27 G HN 0.750 8.997 8.290 0.106 0.107 0.527 28 S N 3.200 119.088 115.700 0.315 0.000 2.564 28 S HA 0.595 nan 4.470 nan 0.000 0.278 28 S C -1.552 173.202 174.600 0.257 0.000 1.333 28 S CA 2.066 60.421 58.200 0.257 0.000 1.048 28 S CB 0.659 63.948 63.200 0.147 0.000 0.900 28 S HN -0.375 8.012 8.310 0.262 0.081 0.505 29 F N -0.743 119.256 119.950 0.081 0.000 2.631 29 F HA 1.076 nan 4.527 nan 0.000 0.308 29 F C -3.016 172.845 175.800 0.103 0.000 1.097 29 F CA -1.784 56.242 58.000 0.044 0.000 0.952 29 F CB 3.565 42.557 39.000 -0.013 0.000 1.307 29 F HN 0.176 8.374 8.300 -0.170 0.000 0.450 30 L N -5.010 116.356 121.223 0.238 0.000 2.415 30 L HA 0.913 nan 4.340 nan 0.000 0.256 30 L C -2.275 174.818 176.870 0.370 0.000 1.010 30 L CA -1.588 53.402 54.840 0.249 0.000 0.826 30 L CB 3.909 45.912 42.059 -0.093 0.000 1.405 30 L HN 0.564 8.951 8.230 0.261 0.000 0.410 31 A N -1.307 121.829 122.820 0.527 0.000 2.337 31 A HA 1.037 nan 4.320 nan 0.000 0.329 31 A C -2.251 175.491 177.584 0.263 0.000 1.146 31 A CA -1.414 50.934 52.037 0.518 0.000 0.800 31 A CB 2.143 21.659 19.000 0.859 0.000 1.220 31 A HN 0.910 9.355 8.150 0.682 0.115 0.472 32 R N -0.851 119.771 120.500 0.203 0.000 2.698 32 R HA 0.777 nan 4.340 nan 0.000 0.275 32 R C -3.169 173.269 176.300 0.231 0.000 1.001 32 R CA -3.438 52.650 56.100 -0.021 0.000 0.896 32 R CB 1.521 31.811 30.300 -0.016 0.000 1.218 32 R HN 0.706 9.152 8.270 0.294 0.000 0.462 33 P HA 0.140 nan 4.420 nan 0.000 0.276 33 P C -1.152 176.270 177.300 0.204 0.000 1.243 33 P CA -0.305 63.019 63.100 0.373 0.000 0.768 33 P CB 0.114 32.141 31.700 0.545 0.000 0.856 34 S N 5.705 121.511 115.700 0.177 0.000 2.592 34 S HA -0.101 nan 4.470 nan 0.000 0.271 34 S C 0.003 174.634 174.600 0.052 0.000 1.326 34 S CA 0.485 58.741 58.200 0.094 0.000 1.024 34 S CB 1.223 64.477 63.200 0.089 0.000 0.921 34 S HN 0.413 8.755 8.310 0.222 0.102 0.527 35 K N 4.254 124.660 120.400 0.010 0.000 2.981 35 K HA 0.197 nan 4.320 nan 0.000 0.213 35 K C 0.303 176.893 176.600 -0.017 0.000 1.154 35 K CA -1.064 55.215 56.287 -0.014 0.000 1.111 35 K CB -0.837 31.643 32.500 -0.033 0.000 0.975 35 K HN 0.368 8.619 8.250 0.001 0.000 0.462 36 S N -1.117 114.580 115.700 -0.005 0.000 2.501 36 S HA -0.064 nan 4.470 nan 0.000 0.220 36 S C 0.066 174.669 174.600 0.005 0.000 0.997 36 S CA 1.268 59.465 58.200 -0.004 0.000 0.919 36 S CB 1.274 64.473 63.200 -0.002 0.000 0.778 36 S HN -0.283 7.977 8.310 0.006 0.054 0.523 37 N N 0.979 119.687 118.700 0.014 0.000 4.711 37 N HA 0.177 nan 4.740 nan 0.000 0.175 37 N C -3.497 172.036 175.510 0.039 0.000 1.031 37 N CA 0.082 53.145 53.050 0.022 0.000 1.143 37 N CB 1.804 40.312 38.487 0.035 0.000 1.585 37 N HN -0.767 7.560 8.380 0.016 0.062 0.817 38 P HA 0.078 nan 4.420 nan 0.000 0.279 38 P C -0.385 176.969 177.300 0.091 0.000 1.239 38 P CA 0.375 63.504 63.100 0.049 0.000 0.789 38 P CB 0.217 31.915 31.700 -0.004 0.000 0.933 39 G N 4.330 113.224 108.800 0.157 0.000 2.284 39 G HA2 -0.370 nan 3.960 nan 0.000 0.230 39 G HA3 -0.370 nan 3.960 nan 0.000 0.230 39 G C -0.913 174.095 174.900 0.180 0.000 1.021 39 G CA -0.017 45.179 45.100 0.160 0.000 0.619 39 G HN 0.509 8.922 8.290 0.206 0.000 0.510 40 D N 3.186 123.687 120.400 0.169 0.000 2.264 40 D HA 0.601 nan 4.640 nan 0.000 0.250 40 D C -0.674 175.768 176.300 0.236 0.000 1.113 40 D CA 0.001 54.112 54.000 0.184 0.000 0.871 40 D CB 0.526 41.407 40.800 0.135 0.000 1.167 40 D HN -0.753 7.599 8.370 0.140 0.101 0.447 41 L N 2.405 123.794 121.223 0.278 0.000 2.358 41 L HA 0.801 nan 4.340 nan 0.000 0.268 41 L C 0.074 177.087 176.870 0.239 0.000 1.032 41 L CA -1.409 53.617 54.840 0.310 0.000 0.805 41 L CB 1.350 43.638 42.059 0.383 0.000 1.253 41 L HN 0.793 9.192 8.230 0.283 0.000 0.452 42 T N 1.956 116.649 114.554 0.231 0.000 2.848 42 T HA 0.506 nan 4.350 nan 0.000 0.285 42 T C -1.983 172.845 174.700 0.214 0.000 0.995 42 T CA -0.076 62.138 62.100 0.190 0.000 0.970 42 T CB 1.911 70.865 68.868 0.143 0.000 0.976 42 T HN 0.779 9.175 8.240 0.259 0.000 0.441 43 L N 6.825 128.157 121.223 0.181 0.000 2.259 43 L HA 0.534 nan 4.340 nan 0.000 0.288 43 L C -1.999 174.953 176.870 0.136 0.000 1.051 43 L CA -1.489 53.447 54.840 0.159 0.000 0.824 43 L CB 1.477 43.578 42.059 0.070 0.000 1.206 43 L HN 0.902 9.227 8.230 0.159 0.000 0.429 44 S N 8.573 124.372 115.700 0.164 0.000 2.422 44 S HA 0.522 nan 4.470 nan 0.000 0.298 44 S C -1.670 172.968 174.600 0.063 0.000 1.118 44 S CA 0.439 58.696 58.200 0.096 0.000 1.083 44 S CB 0.572 63.866 63.200 0.157 0.000 0.971 44 S HN 0.627 9.054 8.310 0.196 0.000 0.478 45 V N 5.362 125.266 119.914 -0.018 0.000 2.680 45 V HA 0.659 nan 4.120 nan 0.000 0.309 45 V C -1.794 174.289 176.094 -0.018 0.000 1.052 45 V CA -1.800 60.519 62.300 0.031 0.000 0.908 45 V CB 2.859 34.682 31.823 0.000 0.000 1.001 45 V HN 1.023 9.150 8.190 -0.105 0.000 0.431 46 R N 4.707 125.227 120.500 0.033 0.000 2.265 46 R HA 0.747 nan 4.340 nan 0.000 0.319 46 R C -1.604 174.710 176.300 0.023 0.000 1.006 46 R CA -0.792 55.317 56.100 0.015 0.000 0.880 46 R CB 1.904 32.226 30.300 0.037 0.000 1.077 46 R HN 0.826 9.148 8.270 0.088 0.000 0.454 47 R N 5.741 126.241 120.500 0.001 0.000 2.584 47 R HA 0.290 nan 4.340 nan 0.000 0.276 47 R C -1.075 175.225 176.300 -0.001 0.000 1.046 47 R CA -2.501 53.601 56.100 0.003 0.000 0.906 47 R CB 1.904 32.199 30.300 -0.010 0.000 1.215 47 R HN 0.899 9.160 8.270 -0.016 0.000 0.449 48 N N 2.975 121.678 118.700 0.005 0.000 2.714 48 N HA -0.429 nan 4.740 nan 0.000 0.252 48 N C 0.161 175.672 175.510 0.003 0.000 1.014 48 N CA 0.973 54.025 53.050 0.003 0.000 0.735 48 N CB -1.962 36.525 38.487 -0.001 0.000 0.924 48 N HN 0.783 9.220 8.380 0.008 -0.052 0.540 49 G N -4.922 103.882 108.800 0.007 0.000 2.205 49 G HA2 -0.510 nan 3.960 nan 0.000 0.269 49 G HA3 -0.510 nan 3.960 nan 0.000 0.269 49 G C -1.449 173.451 174.900 -0.000 0.000 0.977 49 G CA 0.568 45.670 45.100 0.005 0.000 0.652 49 G HN 0.188 8.954 8.290 0.012 -0.468 0.539 50 A N -0.851 121.965 122.820 -0.007 0.000 2.354 50 A HA 0.411 nan 4.320 nan 0.000 0.321 50 A C -2.102 175.458 177.584 -0.039 0.000 1.125 50 A CA -1.498 50.529 52.037 -0.017 0.000 0.799 50 A CB 2.911 21.902 19.000 -0.015 0.000 1.293 50 A HN -0.390 7.558 8.150 -0.006 0.198 0.452 51 V N -0.435 119.439 119.914 -0.066 0.000 2.398 51 V HA 0.564 nan 4.120 nan 0.000 0.286 51 V C -0.383 175.550 176.094 -0.268 0.000 1.026 51 V CA -0.906 61.304 62.300 -0.150 0.000 0.868 51 V CB 0.913 32.643 31.823 -0.154 0.000 0.982 51 V HN 0.206 8.370 8.190 -0.045 0.000 0.443 52 T N 7.775 122.155 114.554 -0.289 0.000 2.895 52 T HA 0.473 nan 4.350 nan 0.000 0.283 52 T C -1.787 172.648 174.700 -0.441 0.000 1.014 52 T CA -1.882 60.040 62.100 -0.296 0.000 1.037 52 T CB 2.061 70.858 68.868 -0.119 0.000 1.006 52 T HN 0.902 9.019 8.240 -0.204 0.000 0.468 53 H N 4.602 123.672 119.070 -0.001 0.000 2.539 53 H HA 0.533 nan 4.556 nan 0.000 0.332 53 H C -0.791 174.532 175.328 -0.009 0.000 1.031 53 H CA -1.280 54.770 56.048 0.003 0.000 1.206 53 H CB 1.417 31.179 29.762 0.001 0.000 1.446 53 H HN 0.238 8.479 8.280 -0.064 0.000 0.496 54 I N 5.562 126.194 120.570 0.103 0.000 2.354 54 I HA 0.096 nan 4.170 nan 0.000 0.292 54 I C -1.384 174.794 176.117 0.102 0.000 0.989 54 I CA -1.057 60.286 61.300 0.071 0.000 1.188 54 I CB 1.945 39.971 38.000 0.044 0.000 1.342 54 I HN 0.771 9.042 8.210 0.101 0.000 0.457 55 K N 7.715 128.164 120.400 0.081 0.000 2.298 55 K HA 0.277 nan 4.320 nan 0.000 0.280 55 K C -1.667 175.055 176.600 0.203 0.000 1.032 55 K CA -0.117 56.241 56.287 0.117 0.000 0.958 55 K CB 0.571 33.098 32.500 0.046 0.000 0.978 55 K HN 0.403 8.663 8.250 0.017 0.000 0.472 56 I N 6.464 127.164 120.570 0.217 0.000 2.439 56 I HA 0.309 nan 4.170 nan 0.000 0.283 56 I C -1.761 174.514 176.117 0.264 0.000 1.023 56 I CA -0.894 60.567 61.300 0.267 0.000 1.100 56 I CB 1.747 39.925 38.000 0.297 0.000 1.238 56 I HN 0.599 8.930 8.210 0.201 0.000 0.445 57 Q N 7.529 127.472 119.800 0.238 0.000 2.230 57 Q HA 0.366 nan 4.340 nan 0.000 0.253 57 Q C -1.831 174.233 176.000 0.107 0.000 0.919 57 Q CA -0.878 55.027 55.803 0.170 0.000 0.908 57 Q CB 2.338 31.163 28.738 0.146 0.000 1.245 57 Q HN 0.170 8.591 8.270 0.253 0.000 0.437 58 N N 3.411 122.115 118.700 0.007 0.000 2.519 58 N HA 0.424 nan 4.740 nan 0.000 0.286 58 N C 0.082 175.511 175.510 -0.135 0.000 1.079 58 N CA -0.279 52.664 53.050 -0.178 0.000 0.878 58 N CB 2.230 40.445 38.487 -0.453 0.000 1.375 58 N HN -0.046 8.366 8.380 0.054 0.000 0.514 59 T N -0.300 114.152 114.554 -0.169 0.000 3.069 59 T HA 0.348 nan 4.350 nan 0.000 0.252 59 T C -0.095 174.515 174.700 -0.151 0.000 1.053 59 T CA -1.005 61.027 62.100 -0.113 0.000 0.964 59 T CB 0.704 69.522 68.868 -0.083 0.000 1.005 59 T HN 0.489 8.589 8.240 -0.233 0.000 0.532 60 G N 0.846 109.499 108.800 -0.245 0.000 2.485 60 G HA2 -0.195 nan 3.960 nan 0.000 0.181 60 G HA3 -0.195 nan 3.960 nan 0.000 0.181 60 G C -1.569 173.142 174.900 -0.317 0.000 0.999 60 G CA 0.691 45.661 45.100 -0.216 0.000 0.721 60 G HN 0.124 8.443 8.290 -0.313 -0.217 0.486 61 D N -0.777 119.315 120.400 -0.513 0.000 2.379 61 D HA 0.231 nan 4.640 nan 0.000 0.218 61 D C -0.554 175.363 176.300 -0.639 0.000 1.006 61 D CA 1.316 54.940 54.000 -0.628 0.000 0.893 61 D CB 2.358 42.664 40.800 -0.822 0.000 1.019 61 D HN 0.204 8.228 8.370 -0.577 0.000 0.503 62 Y N -7.526 112.624 120.300 -0.249 0.000 2.851 62 Y HA 0.152 nan 4.550 nan 0.000 0.359 62 Y C -2.122 173.645 175.900 -0.222 0.000 1.231 62 Y CA -2.012 55.955 58.100 -0.221 0.000 1.106 62 Y CB 0.186 38.468 38.460 -0.296 0.000 1.409 62 Y HN -0.965 6.751 8.280 -0.940 0.000 0.454 63 Y N -1.468 118.996 120.300 0.274 0.000 2.393 63 Y HA -0.031 nan 4.550 nan 0.000 0.338 63 Y C -0.686 175.410 175.900 0.327 0.000 1.029 63 Y CA 0.530 58.790 58.100 0.265 0.000 1.239 63 Y CB 0.760 39.365 38.460 0.242 0.000 1.170 63 Y HN 0.409 8.996 8.280 0.511 0.000 0.515 64 D N 5.467 126.107 120.400 0.402 0.000 2.472 64 D HA 0.264 nan 4.640 nan 0.000 0.234 64 D C -1.654 174.821 176.300 0.293 0.000 1.088 64 D CA -1.844 52.344 54.000 0.314 0.000 0.882 64 D CB 1.308 42.287 40.800 0.298 0.000 1.037 64 D HN 0.832 9.295 8.370 0.331 0.106 0.520 65 L N 6.265 127.676 121.223 0.312 0.000 2.418 65 L HA 0.150 nan 4.340 nan 0.000 0.274 65 L C -1.057 175.951 176.870 0.230 0.000 1.135 65 L CA -0.113 54.899 54.840 0.287 0.000 0.870 65 L CB 0.242 42.502 42.059 0.336 0.000 1.154 65 L HN -0.404 8.033 8.230 0.346 0.000 0.462 66 Y N 10.325 130.694 120.300 0.115 0.000 2.650 66 Y HA -0.284 nan 4.550 nan 0.000 0.331 66 Y C 0.719 176.654 175.900 0.059 0.000 1.165 66 Y CA 2.200 60.350 58.100 0.084 0.000 1.473 66 Y CB 0.376 38.881 38.460 0.074 0.000 1.224 66 Y HN 0.478 8.965 8.280 0.345 0.000 0.533 67 G N 5.719 114.401 108.800 -0.196 0.000 2.162 67 G HA2 -0.425 nan 3.960 nan 0.000 0.260 67 G HA3 -0.425 nan 3.960 nan 0.000 0.260 67 G C -1.323 173.588 174.900 0.017 0.000 0.976 67 G CA -0.250 44.807 45.100 -0.072 0.000 0.655 67 G HN 0.324 8.324 8.290 -0.482 0.000 0.533 68 G N -0.896 107.943 108.800 0.065 0.000 3.243 68 G HA2 0.734 nan 3.960 nan 0.000 0.248 68 G HA3 0.734 nan 3.960 nan 0.000 0.248 68 G C -1.625 173.373 174.900 0.163 0.000 1.267 68 G CA -0.694 44.507 45.100 0.169 0.000 0.906 68 G HN -0.436 7.725 8.290 0.059 0.165 0.592 69 E N -0.920 119.437 120.200 0.262 0.000 2.267 69 E HA 0.276 nan 4.350 nan 0.000 0.258 69 E C -0.836 175.661 176.600 -0.173 0.000 1.074 69 E CA -1.148 55.209 56.400 -0.072 0.000 0.915 69 E CB 2.585 32.070 29.700 -0.357 0.000 1.186 69 E HN -0.105 8.573 8.360 0.530 0.000 0.439 70 K N -1.044 119.054 120.400 -0.503 0.000 2.156 70 K HA 0.491 nan 4.320 nan 0.000 0.271 70 K C -0.920 175.217 176.600 -0.772 0.000 0.995 70 K CA -0.321 55.688 56.287 -0.463 0.000 0.890 70 K CB 1.126 33.192 32.500 -0.723 0.000 1.073 70 K HN 0.143 8.097 8.250 -0.494 0.000 0.454 71 F N -0.737 119.196 119.950 -0.027 0.000 2.588 71 F HA 0.346 nan 4.527 nan 0.000 0.314 71 F C -0.363 175.526 175.800 0.147 0.000 1.069 71 F CA -1.518 56.481 58.000 -0.002 0.000 0.931 71 F CB 3.802 42.786 39.000 -0.026 0.000 1.260 71 F HN 0.567 8.912 8.300 0.257 0.109 0.465 72 A N 1.192 124.170 122.820 0.264 0.000 1.930 72 A HA -0.005 nan 4.320 nan 0.000 0.215 72 A C -0.951 176.833 177.584 0.334 0.000 1.176 72 A CA 2.078 54.257 52.037 0.238 0.000 0.632 72 A CB 0.410 19.473 19.000 0.106 0.000 0.819 72 A HN 0.774 9.054 8.150 0.217 0.000 0.445 73 T N -7.769 106.901 114.554 0.192 0.000 2.864 73 T HA 0.144 nan 4.350 nan 0.000 0.299 73 T C 0.074 174.580 174.700 -0.323 0.000 1.166 73 T CA -1.749 60.318 62.100 -0.055 0.000 1.007 73 T CB 2.870 71.745 68.868 0.011 0.000 1.219 73 T HN -0.841 7.514 8.240 0.193 0.000 0.506 74 L N 1.299 122.195 121.223 -0.545 0.000 2.093 74 L HA -0.177 nan 4.340 nan 0.000 0.208 74 L C 1.121 177.979 176.870 -0.020 0.000 1.085 74 L CA 3.228 57.869 54.840 -0.332 0.000 0.755 74 L CB -0.266 41.668 42.059 -0.208 0.000 0.904 74 L HN 0.594 8.515 8.230 -0.608 -0.057 0.435 75 A N -0.924 121.960 122.820 0.107 0.000 1.902 75 A HA -0.393 nan 4.320 nan 0.000 0.217 75 A C 2.034 179.641 177.584 0.039 0.000 1.181 75 A CA 3.362 55.530 52.037 0.218 0.000 0.623 75 A CB -1.022 18.085 19.000 0.179 0.000 0.818 75 A HN -0.085 8.328 8.150 0.015 -0.254 0.443 76 E N -1.306 118.900 120.200 0.009 0.000 2.150 76 E HA -0.343 nan 4.350 nan 0.000 0.193 76 E C 2.520 179.031 176.600 -0.147 0.000 0.985 76 E CA 2.751 59.166 56.400 0.024 0.000 0.814 76 E CB -0.091 29.684 29.700 0.127 0.000 0.752 76 E HN -0.299 8.073 8.360 0.021 0.000 0.466 77 L N 0.213 121.191 121.223 -0.408 0.000 1.976 77 L HA -0.353 nan 4.340 nan 0.000 0.209 77 L C 1.663 178.160 176.870 -0.622 0.000 1.071 77 L CA 3.588 57.782 54.840 -1.076 0.000 0.746 77 L CB 0.039 41.600 42.059 -0.830 0.000 0.890 77 L HN -0.222 7.784 8.230 -0.253 0.073 0.432 78 V N -0.911 118.742 119.914 -0.434 0.000 2.332 78 V HA -0.584 nan 4.120 nan 0.000 0.248 78 V C 1.972 177.879 176.094 -0.312 0.000 1.055 78 V CA 4.361 66.376 62.300 -0.475 0.000 1.038 78 V CB -0.869 30.463 31.823 -0.818 0.000 0.651 78 V HN 0.015 7.971 8.190 -0.390 0.000 0.450 79 Q N -0.304 119.387 119.800 -0.182 0.000 2.096 79 Q HA -0.423 nan 4.340 nan 0.000 0.204 79 Q C 1.873 177.825 176.000 -0.081 0.000 0.982 79 Q CA 3.501 59.255 55.803 -0.081 0.000 0.850 79 Q CB -0.067 28.674 28.738 0.005 0.000 0.901 79 Q HN 0.129 8.304 8.270 -0.159 0.000 0.422 80 Y N 0.587 120.730 120.300 -0.261 0.000 2.070 80 Y HA -0.480 nan 4.550 nan 0.000 0.280 80 Y C 2.197 177.916 175.900 -0.301 0.000 1.148 80 Y CA 3.967 61.879 58.100 -0.314 0.000 1.125 80 Y CB 0.110 38.273 38.460 -0.496 0.000 0.975 80 Y HN -0.546 7.680 8.280 -0.090 0.000 0.492 81 Y N -3.921 116.287 120.300 -0.152 0.000 2.439 81 Y HA -0.300 nan 4.550 nan 0.000 0.292 81 Y C 2.843 178.522 175.900 -0.369 0.000 1.130 81 Y CA 3.003 60.955 58.100 -0.247 0.000 1.254 81 Y CB -0.475 37.845 38.460 -0.233 0.000 1.000 81 Y HN -0.388 7.699 8.280 -0.321 0.000 0.554 82 M N -2.729 116.729 119.600 -0.237 0.000 2.476 82 M HA -0.226 nan 4.480 nan 0.000 0.262 82 M C 0.633 176.707 176.300 -0.378 0.000 1.079 82 M CA 2.706 57.833 55.300 -0.289 0.000 1.104 82 M CB 0.140 32.642 32.600 -0.165 0.000 1.409 82 M HN -0.229 7.919 8.290 -0.216 0.013 0.467 83 E N -4.110 115.902 120.200 -0.313 0.000 2.548 83 E HA 0.108 nan 4.350 nan 0.000 0.206 83 E C -0.388 175.863 176.600 -0.581 0.000 1.005 83 E CA -0.474 55.715 56.400 -0.352 0.000 0.951 83 E CB 0.878 30.454 29.700 -0.207 0.000 1.035 83 E HN -0.612 7.469 8.360 -0.231 0.141 0.470 84 H N -0.596 118.164 119.070 -0.517 0.000 2.695 84 H HA 0.263 nan 4.556 nan 0.000 0.222 84 H C -1.751 173.448 175.328 -0.215 0.000 1.412 84 H CA -0.776 55.026 56.048 -0.409 0.000 1.347 84 H CB 0.644 29.984 29.762 -0.704 0.000 1.858 84 H HN -0.832 7.026 8.280 -0.408 0.177 0.519 85 H N 0.554 119.602 119.070 -0.038 0.000 2.871 85 H HA -0.297 nan 4.556 nan 0.000 0.355 85 H C 1.141 176.474 175.328 0.009 0.000 1.092 85 H CA 1.186 57.223 56.048 -0.017 0.000 1.420 85 H CB 0.280 30.011 29.762 -0.052 0.000 1.400 85 H HN -0.103 8.012 8.280 -0.274 0.000 0.604 86 G N 2.084 110.978 108.800 0.156 0.000 2.225 86 G HA2 -0.480 nan 3.960 nan 0.000 0.254 86 G HA3 -0.480 nan 3.960 nan 0.000 0.254 86 G C 0.173 175.136 174.900 0.105 0.000 0.988 86 G CA 0.943 46.100 45.100 0.095 0.000 0.625 86 G HN 0.786 9.176 8.290 0.167 0.000 0.527 87 Q N -0.465 119.429 119.800 0.157 0.000 2.259 87 Q HA -0.019 nan 4.340 nan 0.000 0.201 87 Q C 0.451 176.570 176.000 0.199 0.000 0.938 87 Q CA 1.090 57.027 55.803 0.223 0.000 0.872 87 Q CB 0.792 29.735 28.738 0.342 0.000 0.971 87 Q HN -0.597 7.678 8.270 0.171 0.098 0.494 88 L N 1.182 122.451 121.223 0.078 0.000 2.342 88 L HA 0.009 nan 4.340 nan 0.000 0.285 88 L C -2.076 174.745 176.870 -0.081 0.000 1.095 88 L CA -0.360 54.369 54.840 -0.185 0.000 0.843 88 L CB 0.055 41.811 42.059 -0.505 0.000 1.201 88 L HN -0.214 8.090 8.230 0.124 0.000 0.445 89 K N 5.318 125.694 120.400 -0.039 0.000 2.156 89 K HA 0.350 nan 4.320 nan 0.000 0.254 89 K C -1.032 175.569 176.600 0.002 0.000 0.950 89 K CA -0.786 55.499 56.287 -0.004 0.000 0.849 89 K CB 1.768 34.282 32.500 0.023 0.000 1.100 89 K HN 0.023 8.253 8.250 -0.035 0.000 0.434 90 E N 3.085 123.291 120.200 0.010 0.000 2.928 90 E HA 0.001 nan 4.350 nan 0.000 0.352 90 E C 0.008 176.638 176.600 0.050 0.000 0.523 90 E CA 0.824 57.237 56.400 0.023 0.000 2.011 90 E CB 1.211 30.916 29.700 0.008 0.000 1.898 90 E HN 0.590 8.835 8.360 0.009 0.120 0.516 91 K N 0.062 120.487 120.400 0.041 0.000 2.180 91 K HA 0.037 nan 4.320 nan 0.000 0.250 91 K C -0.753 175.871 176.600 0.040 0.000 1.135 91 K CA -0.587 55.730 56.287 0.050 0.000 1.037 91 K CB -1.052 31.473 32.500 0.041 0.000 1.624 91 K HN 0.280 8.547 8.250 0.029 0.000 0.382 92 N N 4.390 123.116 118.700 0.042 0.000 3.541 92 N HA -0.309 nan 4.740 nan 0.000 0.292 92 N C 0.842 176.367 175.510 0.025 0.000 1.964 92 N CA 0.601 53.670 53.050 0.031 0.000 2.344 92 N CB 0.484 38.988 38.487 0.027 0.000 0.672 92 N HN -0.072 8.341 8.380 0.054 0.000 0.620 93 G N 4.032 112.848 108.800 0.025 0.000 2.855 93 G HA2 -0.559 nan 3.960 nan 0.000 0.231 93 G HA3 -0.559 nan 3.960 nan 0.000 0.231 93 G C -0.052 174.859 174.900 0.019 0.000 1.242 93 G CA 0.813 45.927 45.100 0.023 0.000 0.789 93 G HN 0.354 8.660 8.290 0.027 0.000 0.517 94 D N 5.452 125.862 120.400 0.016 0.000 2.659 94 D HA -0.215 nan 4.640 nan 0.000 0.275 94 D C 0.400 176.702 176.300 0.004 0.000 1.407 94 D CA 1.261 55.267 54.000 0.009 0.000 1.033 94 D CB -0.737 40.068 40.800 0.009 0.000 1.139 94 D HN 0.023 8.328 8.370 0.017 0.076 0.565 95 V N -1.604 118.312 119.914 0.004 0.000 2.458 95 V HA 0.075 nan 4.120 nan 0.000 0.287 95 V C -0.449 175.636 176.094 -0.014 0.000 1.009 95 V CA -0.606 61.696 62.300 0.002 0.000 1.091 95 V CB -0.624 31.206 31.823 0.012 0.000 0.960 95 V HN -0.387 7.807 8.190 0.006 0.000 0.476 96 I N 8.371 128.923 120.570 -0.031 0.000 2.365 96 I HA 0.087 nan 4.170 nan 0.000 0.291 96 I C -0.613 175.478 176.117 -0.043 0.000 1.004 96 I CA -0.289 60.981 61.300 -0.049 0.000 1.311 96 I CB 1.134 39.086 38.000 -0.080 0.000 1.401 96 I HN 0.667 8.761 8.210 -0.037 0.094 0.491 97 E N 6.377 126.560 120.200 -0.028 0.000 2.151 97 E HA 0.111 nan 4.350 nan 0.000 0.275 97 E C -1.223 175.371 176.600 -0.011 0.000 0.936 97 E CA -1.462 54.948 56.400 0.017 0.000 0.777 97 E CB 1.679 31.340 29.700 -0.066 0.000 1.108 97 E HN 0.194 8.536 8.360 -0.031 0.000 0.401 98 L N 5.677 126.879 121.223 -0.035 0.000 2.288 98 L HA 0.176 nan 4.340 nan 0.000 0.283 98 L C -0.346 176.535 176.870 0.018 0.000 1.072 98 L CA -0.496 54.229 54.840 -0.192 0.000 0.862 98 L CB -0.625 41.040 42.059 -0.657 0.000 1.245 98 L HN 0.656 8.901 8.230 0.026 0.000 0.432 99 K N 4.351 124.798 120.400 0.078 0.000 2.273 99 K HA 0.082 nan 4.320 nan 0.000 0.206 99 K C -0.213 176.262 176.600 -0.208 0.000 1.072 99 K CA 1.226 57.374 56.287 -0.231 0.000 0.953 99 K CB 2.363 34.399 32.500 -0.773 0.000 1.043 99 K HN 0.514 8.776 8.250 0.173 0.092 0.477 100 Y N -1.474 118.979 120.300 0.255 0.000 2.363 100 Y HA 0.354 nan 4.550 nan 0.000 0.325 100 Y C -2.557 173.221 175.900 -0.204 0.000 0.984 100 Y CA -3.303 54.838 58.100 0.069 0.000 1.248 100 Y CB -0.228 38.255 38.460 0.039 0.000 1.116 100 Y HN 0.035 8.344 8.280 0.219 0.102 0.470 101 P HA 0.047 nan 4.420 nan 0.000 0.270 101 P C -1.562 175.622 177.300 -0.193 0.000 1.242 101 P CA -0.065 62.664 63.100 -0.617 0.000 0.768 101 P CB -0.013 31.586 31.700 -0.168 0.000 0.820 102 L N 6.729 127.843 121.223 -0.183 0.000 2.385 102 L HA 0.014 nan 4.340 nan 0.000 0.285 102 L C -1.346 175.622 176.870 0.164 0.000 1.125 102 L CA -1.007 53.844 54.840 0.019 0.000 0.890 102 L CB -0.377 41.693 42.059 0.018 0.000 1.251 102 L HN 0.386 8.387 8.230 -0.383 0.000 0.445 103 N N 6.012 124.766 118.700 0.089 0.000 2.415 103 N HA 0.041 nan 4.740 nan 0.000 0.248 103 N C -1.080 174.374 175.510 -0.092 0.000 1.271 103 N CA -0.013 53.047 53.050 0.018 0.000 0.913 103 N CB 0.701 39.184 38.487 -0.008 0.000 1.129 103 N HN -0.288 8.126 8.380 0.055 0.000 0.444 104 C N 0.797 119.882 119.300 -0.358 0.000 2.350 104 C HA 0.168 nan 4.460 nan 0.000 0.348 104 C C 0.438 175.283 174.990 -0.242 0.000 1.260 104 C CA -1.267 57.435 59.018 -0.526 0.000 1.966 104 C CB 0.824 28.070 27.740 -0.823 0.000 2.380 104 C HN 0.213 8.153 8.230 -0.319 0.098 0.535 105 A N 6.347 129.075 122.820 -0.153 0.000 2.147 105 A HA 0.062 nan 4.320 nan 0.000 0.211 105 A C -0.806 176.682 177.584 -0.159 0.000 1.160 105 A CA 0.537 52.515 52.037 -0.099 0.000 0.781 105 A CB 0.184 19.176 19.000 -0.013 0.000 0.842 105 A HN 0.442 8.518 8.150 -0.124 0.000 0.475 106 D N 0.019 120.310 120.400 -0.183 0.000 2.450 106 D HA -0.007 nan 4.640 nan 0.000 0.247 106 D C -0.610 175.497 176.300 -0.322 0.000 1.162 106 D CA -1.766 52.100 54.000 -0.223 0.000 0.879 106 D CB 1.117 41.820 40.800 -0.162 0.000 1.163 106 D HN -0.881 7.329 8.370 -0.186 0.048 0.472 107 P HA 0.153 nan 4.420 nan 0.000 0.261 107 P C 0.529 177.481 177.300 -0.581 0.000 1.268 107 P CA 0.178 62.880 63.100 -0.663 0.000 0.833 107 P CB 0.827 31.927 31.700 -1.000 0.000 1.231 108 T N -1.093 113.252 114.554 -0.349 0.000 2.699 108 T HA -0.284 nan 4.350 nan 0.000 0.268 108 T C 1.040 175.717 174.700 -0.038 0.000 1.036 108 T CA 3.356 65.443 62.100 -0.022 0.000 1.147 108 T CB -0.710 68.171 68.868 0.023 0.000 0.862 108 T HN -0.409 7.755 8.240 -0.311 -0.111 0.446 109 S N -0.560 115.036 115.700 -0.173 0.000 2.660 109 S HA 0.101 nan 4.470 nan 0.000 0.227 109 S C -0.678 173.739 174.600 -0.304 0.000 0.948 109 S CA 0.245 58.319 58.200 -0.210 0.000 0.948 109 S CB -0.257 62.819 63.200 -0.208 0.000 0.779 109 S HN 0.101 8.294 8.310 -0.195 0.000 0.487 110 E N 1.424 121.360 120.200 -0.440 0.000 2.301 110 E HA 0.108 nan 4.350 nan 0.000 0.275 110 E C 0.387 176.628 176.600 -0.598 0.000 1.030 110 E CA -0.688 55.253 56.400 -0.764 0.000 0.852 110 E CB 0.598 29.299 29.700 -1.665 0.000 1.060 110 E HN -0.314 7.620 8.360 -0.385 0.194 0.401 111 R N 5.148 125.333 120.500 -0.524 0.000 2.120 111 R HA -0.214 nan 4.340 nan 0.000 0.234 111 R C 1.375 177.575 176.300 -0.166 0.000 1.123 111 R CA 3.931 59.879 56.100 -0.254 0.000 0.975 111 R CB -0.166 30.040 30.300 -0.156 0.000 0.866 111 R HN 0.671 8.617 8.270 -0.541 0.000 0.446 112 W N -7.021 114.215 121.300 -0.107 0.000 2.863 112 W HA -0.033 nan 4.660 nan 0.000 0.258 112 W C -0.757 175.645 176.519 -0.194 0.000 1.298 112 W CA -2.376 54.804 57.345 -0.275 0.000 1.451 112 W CB 0.033 29.272 29.460 -0.367 0.000 1.107 112 W HN -0.384 7.187 8.180 -0.968 0.027 0.641 113 F N 1.474 121.360 119.950 -0.106 0.000 2.438 113 F HA -0.174 nan 4.527 nan 0.000 0.356 113 F C -1.414 174.509 175.800 0.206 0.000 1.099 113 F CA 0.769 58.800 58.000 0.051 0.000 1.185 113 F CB 0.627 39.536 39.000 -0.151 0.000 1.115 113 F HN -0.754 7.257 8.300 -0.293 0.113 0.526 114 H N 5.123 123.833 119.070 -0.600 0.000 2.521 114 H HA 0.189 nan 4.556 nan 0.000 0.267 114 H C 1.055 176.034 175.328 -0.581 0.000 0.963 114 H CA -0.135 55.654 56.048 -0.430 0.000 1.175 114 H CB 2.888 32.565 29.762 -0.143 0.000 1.450 114 H HN 0.796 8.739 8.280 -0.561 0.000 0.472 115 G N 1.483 109.910 108.800 -0.622 0.000 2.726 115 G HA2 -0.448 nan 3.960 nan 0.000 0.261 115 G HA3 -0.448 nan 3.960 nan 0.000 0.261 115 G C -1.421 173.585 174.900 0.178 0.000 1.352 115 G CA 0.744 45.734 45.100 -0.182 0.000 0.906 115 G HN -0.695 7.149 8.290 -0.743 0.000 0.566 116 H N -4.462 114.581 119.070 -0.045 0.000 2.580 116 H HA -0.413 nan 4.556 nan 0.000 0.316 116 H C -1.811 173.504 175.328 -0.020 0.000 1.073 116 H CA 0.502 56.536 56.048 -0.023 0.000 1.135 116 H CB -2.037 27.716 29.762 -0.015 0.000 1.437 116 H HN 0.180 8.941 8.280 0.173 -0.378 0.404 117 L N -1.424 119.689 121.223 -0.183 0.000 2.436 117 L HA 0.319 nan 4.340 nan 0.000 0.268 117 L C -2.147 174.679 176.870 -0.074 0.000 0.974 117 L CA -1.307 53.414 54.840 -0.198 0.000 0.826 117 L CB 3.181 45.167 42.059 -0.122 0.000 1.291 117 L HN -0.625 7.568 8.230 -0.062 0.001 0.406 118 S N 5.005 120.664 115.700 -0.068 0.000 2.652 118 S HA 0.117 nan 4.470 nan 0.000 0.270 118 S C 1.263 175.869 174.600 0.010 0.000 1.243 118 S CA -1.451 56.729 58.200 -0.033 0.000 0.999 118 S CB 2.100 65.275 63.200 -0.042 0.000 0.973 118 S HN 0.240 8.491 8.310 -0.100 0.000 0.544 119 G N 0.615 109.415 108.800 0.000 0.000 2.422 119 G HA2 -0.238 nan 3.960 nan 0.000 0.218 119 G HA3 -0.238 nan 3.960 nan 0.000 0.218 119 G C 0.768 175.717 174.900 0.082 0.000 1.146 119 G CA 2.155 47.272 45.100 0.028 0.000 0.769 119 G HN 0.842 9.114 8.290 -0.031 0.000 0.547 120 K N 0.569 120.980 120.400 0.019 0.000 2.167 120 K HA -0.121 nan 4.320 nan 0.000 0.203 120 K C 2.038 178.657 176.600 0.032 0.000 1.052 120 K CA 2.631 58.935 56.287 0.028 0.000 0.956 120 K CB -0.472 32.027 32.500 -0.002 0.000 0.735 120 K HN -0.682 7.561 8.250 -0.011 0.000 0.451 121 E N 0.932 121.142 120.200 0.016 0.000 2.072 121 E HA -0.244 nan 4.350 nan 0.000 0.190 121 E C 2.036 178.652 176.600 0.026 0.000 0.982 121 E CA 2.810 59.212 56.400 0.004 0.000 0.803 121 E CB -0.508 29.173 29.700 -0.032 0.000 0.755 121 E HN -0.152 8.211 8.360 0.005 0.000 0.453 122 A N -0.601 122.251 122.820 0.055 0.000 1.940 122 A HA -0.325 nan 4.320 nan 0.000 0.219 122 A C 2.159 179.785 177.584 0.070 0.000 1.176 122 A CA 3.405 55.489 52.037 0.078 0.000 0.631 122 A CB -0.842 18.225 19.000 0.112 0.000 0.814 122 A HN 0.463 8.538 8.150 0.052 0.107 0.446 123 E N -2.012 118.245 120.200 0.096 0.000 2.072 123 E HA -0.376 nan 4.350 nan 0.000 0.191 123 E C 2.772 179.400 176.600 0.046 0.000 0.985 123 E CA 2.931 59.378 56.400 0.078 0.000 0.801 123 E CB -0.237 29.529 29.700 0.111 0.000 0.750 123 E HN -0.517 7.847 8.360 0.128 0.072 0.452 124 K N 0.019 120.441 120.400 0.037 0.000 2.001 124 K HA -0.291 nan 4.320 nan 0.000 0.214 124 K C 2.599 179.211 176.600 0.020 0.000 1.050 124 K CA 2.861 59.161 56.287 0.022 0.000 0.934 124 K CB -0.234 32.272 32.500 0.011 0.000 0.718 124 K HN -0.279 7.931 8.250 0.041 0.065 0.443 125 L N -1.325 119.911 121.223 0.022 0.000 2.012 125 L HA -0.368 nan 4.340 nan 0.000 0.210 125 L C 2.239 179.126 176.870 0.028 0.000 1.073 125 L CA 3.223 58.077 54.840 0.023 0.000 0.748 125 L CB -0.238 41.840 42.059 0.032 0.000 0.891 125 L HN 0.021 8.265 8.230 0.024 0.000 0.431 126 L N -2.532 118.710 121.223 0.031 0.000 2.131 126 L HA -0.417 nan 4.340 nan 0.000 0.210 126 L C 2.391 179.276 176.870 0.025 0.000 1.092 126 L CA 3.394 58.249 54.840 0.025 0.000 0.759 126 L CB -0.432 41.633 42.059 0.011 0.000 0.903 126 L HN 0.162 8.413 8.230 0.035 0.000 0.435 127 T N 0.710 115.279 114.554 0.025 0.000 2.978 127 T HA -0.171 nan 4.350 nan 0.000 0.262 127 T C 2.479 177.191 174.700 0.021 0.000 1.063 127 T CA 3.977 66.092 62.100 0.024 0.000 1.140 127 T CB -0.555 68.328 68.868 0.024 0.000 0.886 127 T HN 0.249 8.322 8.240 0.026 0.182 0.470 128 E N 2.216 122.427 120.200 0.018 0.000 2.016 128 E HA -0.134 nan 4.350 nan 0.000 0.190 128 E C 1.697 178.307 176.600 0.015 0.000 0.985 128 E CA 2.701 59.109 56.400 0.014 0.000 0.802 128 E CB 0.408 30.114 29.700 0.010 0.000 0.762 128 E HN 0.182 8.330 8.360 0.019 0.224 0.448 129 K N -4.552 115.858 120.400 0.017 0.000 2.391 129 K HA 0.181 nan 4.320 nan 0.000 0.197 129 K C 0.102 176.715 176.600 0.022 0.000 1.087 129 K CA -0.316 55.981 56.287 0.018 0.000 1.012 129 K CB 1.575 34.083 32.500 0.015 0.000 0.925 129 K HN 0.055 8.316 8.250 0.019 0.000 0.547 130 G N -0.838 107.977 108.800 0.025 0.000 2.572 130 G HA2 -0.006 nan 3.960 nan 0.000 0.261 130 G HA3 -0.006 nan 3.960 nan 0.000 0.261 130 G C -1.120 173.803 174.900 0.038 0.000 1.197 130 G CA -0.687 44.431 45.100 0.029 0.000 0.870 130 G HN -0.731 7.574 8.290 0.025 0.000 0.548 131 K N -1.565 118.863 120.400 0.047 0.000 2.283 131 K HA 0.268 nan 4.320 nan 0.000 0.257 131 K C -1.651 175.009 176.600 0.100 0.000 1.066 131 K CA -1.903 54.426 56.287 0.071 0.000 0.891 131 K CB 4.125 36.664 32.500 0.066 0.000 1.438 131 K HN 0.125 8.399 8.250 0.040 0.000 0.464 132 H N 0.130 119.216 119.070 0.027 0.000 3.125 132 H HA -0.431 nan 4.556 nan 0.000 0.310 132 H C 1.102 176.456 175.328 0.045 0.000 0.980 132 H CA 2.422 58.487 56.048 0.028 0.000 1.422 132 H CB -0.396 29.378 29.762 0.020 0.000 1.432 132 H HN -0.247 8.485 8.280 0.197 -0.334 0.577 133 G N 6.941 115.497 108.800 -0.408 0.000 2.199 133 G HA2 -0.509 nan 3.960 nan 0.000 0.254 133 G HA3 -0.509 nan 3.960 nan 0.000 0.254 133 G C -0.308 174.604 174.900 0.019 0.000 0.982 133 G CA -0.093 44.817 45.100 -0.317 0.000 0.632 133 G HN 1.100 9.170 8.290 -0.191 0.105 0.529 134 S N 3.992 119.717 115.700 0.043 0.000 2.549 134 S HA 0.385 nan 4.470 nan 0.000 0.283 134 S C -1.247 173.447 174.600 0.157 0.000 1.320 134 S CA 2.783 61.033 58.200 0.084 0.000 1.058 134 S CB 0.415 63.633 63.200 0.030 0.000 0.882 134 S HN -0.207 8.020 8.310 0.008 0.087 0.498 135 F N -0.268 119.661 119.950 -0.035 0.000 2.692 135 F HA 1.112 nan 4.527 nan 0.000 0.320 135 F C -2.989 172.790 175.800 -0.036 0.000 1.123 135 F CA -2.040 55.924 58.000 -0.060 0.000 0.961 135 F CB 3.069 42.007 39.000 -0.103 0.000 1.383 135 F HN 0.276 8.472 8.300 -0.172 0.000 0.483 136 L N -7.519 113.713 121.223 0.016 0.000 2.794 136 L HA 0.703 nan 4.340 nan 0.000 0.261 136 L C -2.476 174.423 176.870 0.048 0.000 0.989 136 L CA -0.260 54.496 54.840 -0.139 0.000 0.900 136 L CB 3.469 45.294 42.059 -0.390 0.000 1.473 136 L HN 0.146 8.486 8.230 0.184 0.000 0.414 137 V N 0.055 120.035 119.914 0.111 0.000 2.487 137 V HA 0.738 nan 4.120 nan 0.000 0.298 137 V C -1.528 174.695 176.094 0.214 0.000 1.028 137 V CA -0.982 61.467 62.300 0.248 0.000 0.860 137 V CB 1.345 33.414 31.823 0.410 0.000 0.991 137 V HN 0.862 9.003 8.190 0.105 0.112 0.427 138 R N 4.896 125.534 120.500 0.230 0.000 2.892 138 R HA 0.523 nan 4.340 nan 0.000 0.265 138 R C -1.394 175.066 176.300 0.267 0.000 1.025 138 R CA -2.540 53.654 56.100 0.156 0.000 0.982 138 R CB 2.285 32.630 30.300 0.076 0.000 1.185 138 R HN 0.821 9.242 8.270 0.251 0.000 0.484 139 E N 0.018 120.281 120.200 0.106 0.000 2.354 139 E HA 0.075 nan 4.350 nan 0.000 0.269 139 E C -0.708 175.828 176.600 -0.107 0.000 1.036 139 E CA 0.099 56.400 56.400 -0.164 0.000 0.876 139 E CB 0.752 30.376 29.700 -0.128 0.000 1.009 139 E HN 0.203 8.602 8.360 0.066 0.000 0.416 140 S N 2.524 118.125 115.700 -0.166 0.000 2.474 140 S HA -0.038 nan 4.470 nan 0.000 0.276 140 S C 0.513 175.070 174.600 -0.072 0.000 1.227 140 S CA -0.030 58.138 58.200 -0.055 0.000 1.050 140 S CB 0.621 63.835 63.200 0.023 0.000 0.939 140 S HN 0.202 8.212 8.310 -0.349 0.091 0.490 141 Q N 7.635 127.395 119.800 -0.067 0.000 2.269 141 Q HA -0.111 nan 4.340 nan 0.000 0.201 141 Q C 1.078 177.010 176.000 -0.112 0.000 0.946 141 Q CA 1.950 57.709 55.803 -0.074 0.000 0.877 141 Q CB 0.003 28.703 28.738 -0.062 0.000 0.963 141 Q HN 0.767 9.005 8.270 -0.054 0.000 0.472 142 S N 0.137 115.734 115.700 -0.172 0.000 2.499 142 S HA -0.198 nan 4.470 nan 0.000 0.206 142 S C 0.046 174.430 174.600 -0.359 0.000 1.165 142 S CA 1.443 59.429 58.200 -0.355 0.000 1.503 142 S CB 0.414 63.272 63.200 -0.571 0.000 1.004 142 S HN -0.117 8.111 8.310 -0.137 0.000 0.385 143 H N 0.746 119.805 119.070 -0.018 0.000 2.761 143 H HA 0.385 nan 4.556 nan 0.000 0.284 143 H C -1.994 173.319 175.328 -0.025 0.000 1.105 143 H CA -3.453 52.587 56.048 -0.013 0.000 1.352 143 H CB -0.748 29.014 29.762 -0.000 0.000 1.423 143 H HN -0.473 7.562 8.280 -0.408 0.000 0.464 144 P HA -0.052 nan 4.420 nan 0.000 0.275 144 P C -0.063 177.245 177.300 0.013 0.000 1.276 144 P CA 0.575 63.679 63.100 0.007 0.000 0.782 144 P CB -0.251 31.452 31.700 0.006 0.000 0.851 145 G N 4.669 113.443 108.800 -0.044 0.000 2.545 145 G HA2 -0.218 nan 3.960 nan 0.000 0.195 145 G HA3 -0.218 nan 3.960 nan 0.000 0.195 145 G C -0.730 174.164 174.900 -0.009 0.000 1.009 145 G CA -0.216 44.883 45.100 -0.001 0.000 0.703 145 G HN 0.210 8.428 8.290 -0.119 0.000 0.479 146 D N 2.107 122.504 120.400 -0.005 0.000 2.371 146 D HA 0.439 nan 4.640 nan 0.000 0.242 146 D C -1.475 174.719 176.300 -0.176 0.000 1.218 146 D CA 0.703 54.754 54.000 0.085 0.000 0.945 146 D CB 0.765 41.651 40.800 0.144 0.000 1.137 146 D HN -0.616 7.700 8.370 0.021 0.067 0.464 147 F N -2.333 117.743 119.950 0.209 0.000 2.640 147 F HA 0.732 nan 4.527 nan 0.000 0.324 147 F C -1.038 174.854 175.800 0.154 0.000 1.077 147 F CA -0.778 57.338 58.000 0.194 0.000 0.965 147 F CB 4.895 44.017 39.000 0.204 0.000 1.351 147 F HN 0.446 8.896 8.300 0.425 0.105 0.487 148 V N -0.885 119.227 119.914 0.329 0.000 2.638 148 V HA 0.625 nan 4.120 nan 0.000 0.306 148 V C -2.058 174.150 176.094 0.191 0.000 1.052 148 V CA -1.211 61.224 62.300 0.225 0.000 0.885 148 V CB 2.525 34.468 31.823 0.200 0.000 0.999 148 V HN 1.000 9.328 8.190 0.396 0.099 0.424 149 L N 7.278 128.571 121.223 0.116 0.000 2.262 149 L HA 0.649 nan 4.340 nan 0.000 0.288 149 L C -1.756 175.119 176.870 0.009 0.000 1.035 149 L CA -1.555 53.316 54.840 0.051 0.000 0.820 149 L CB 1.796 43.832 42.059 -0.039 0.000 1.204 149 L HN 0.609 8.901 8.230 0.104 0.000 0.424 150 S N 8.492 124.182 115.700 -0.017 0.000 2.462 150 S HA 0.630 nan 4.470 nan 0.000 0.294 150 S C -1.724 172.822 174.600 -0.090 0.000 1.144 150 S CA -0.089 57.999 58.200 -0.187 0.000 1.088 150 S CB 1.068 64.108 63.200 -0.267 0.000 1.009 150 S HN 0.567 8.896 8.310 0.032 0.000 0.484 151 V N 3.837 123.680 119.914 -0.119 0.000 2.638 151 V HA 0.510 nan 4.120 nan 0.000 0.306 151 V C -1.316 174.761 176.094 -0.028 0.000 1.052 151 V CA -1.381 60.904 62.300 -0.025 0.000 0.885 151 V CB 3.022 34.823 31.823 -0.036 0.000 0.999 151 V HN 1.054 9.124 8.190 -0.200 0.000 0.424 152 R N 5.323 125.833 120.500 0.017 0.000 2.216 152 R HA 0.483 nan 4.340 nan 0.000 0.332 152 R C -1.112 175.251 176.300 0.106 0.000 1.056 152 R CA -1.043 55.083 56.100 0.043 0.000 0.901 152 R CB 1.522 31.852 30.300 0.051 0.000 1.039 152 R HN 0.734 9.028 8.270 0.040 0.000 0.456 153 T N 8.549 123.183 114.554 0.133 0.000 2.797 153 T HA 0.647 nan 4.350 nan 0.000 0.279 153 T C -1.678 173.114 174.700 0.154 0.000 0.991 153 T CA -0.415 61.843 62.100 0.263 0.000 0.979 153 T CB 2.325 71.284 68.868 0.152 0.000 0.943 153 T HN 0.417 8.704 8.240 0.078 0.000 0.444 154 G N 2.140 110.989 108.800 0.082 0.000 2.682 154 G HA2 0.373 nan 3.960 nan 0.000 0.303 154 G HA3 0.373 nan 3.960 nan 0.000 0.303 154 G C -2.112 172.656 174.900 -0.220 0.000 1.341 154 G CA -0.218 44.857 45.100 -0.042 0.000 0.784 154 G HN -0.541 7.694 8.290 -0.091 0.000 0.497 162 D N -0.432 119.976 120.400 0.014 0.000 2.441 162 D HA -0.077 nan 4.640 nan 0.000 0.243 162 D C 0.472 176.777 176.300 0.007 0.000 1.257 162 D CA -0.477 53.533 54.000 0.017 0.000 1.027 162 D CB -0.206 40.619 40.800 0.042 0.000 1.084 162 D HN 0.172 8.553 8.370 0.018 0.000 0.514 163 G N 4.324 113.118 108.800 -0.011 0.000 2.444 163 G HA2 -0.341 nan 3.960 nan 0.000 0.289 163 G HA3 -0.341 nan 3.960 nan 0.000 0.289 163 G C 0.182 175.077 174.900 -0.008 0.000 0.814 163 G CA 0.409 45.502 45.100 -0.013 0.000 1.820 163 G HN 0.017 8.629 8.290 -0.020 -0.335 0.453 164 K N 5.099 125.503 120.400 0.007 0.000 1.989 164 K HA -0.679 nan 4.320 nan 0.000 0.230 164 K C 1.254 177.864 176.600 0.017 0.000 0.983 164 K CA 2.911 59.209 56.287 0.017 0.000 1.003 164 K CB -0.334 32.175 32.500 0.016 0.000 0.756 164 K HN 0.088 8.324 8.250 0.008 0.019 0.465 165 S N -3.471 112.235 115.700 0.010 0.000 4.158 165 S HA -0.340 nan 4.470 nan 0.000 0.578 165 S C -0.912 173.701 174.600 0.020 0.000 1.866 165 S CA 2.168 60.373 58.200 0.010 0.000 4.250 165 S CB -0.402 62.797 63.200 -0.002 0.000 0.204 165 S HN -0.028 8.286 8.310 0.008 0.000 0.455 166 K N 1.661 122.078 120.400 0.028 0.000 2.532 166 K HA 0.252 nan 4.320 nan 0.000 0.265 166 K C -2.707 173.911 176.600 0.030 0.000 0.948 166 K CA -0.756 55.549 56.287 0.031 0.000 0.842 166 K CB 3.216 35.733 32.500 0.028 0.000 1.392 166 K HN -0.138 8.133 8.250 0.035 0.000 0.436 167 V N 2.412 122.341 119.914 0.024 0.000 2.540 167 V HA 0.576 nan 4.120 nan 0.000 0.302 167 V C -0.818 175.264 176.094 -0.021 0.000 1.035 167 V CA -1.235 61.054 62.300 -0.019 0.000 0.873 167 V CB 2.712 34.513 31.823 -0.038 0.000 0.992 167 V HN 0.363 8.577 8.190 0.039 0.000 0.428 168 T N 8.324 122.829 114.554 -0.081 0.000 2.856 168 T HA 0.523 nan 4.350 nan 0.000 0.283 168 T C -1.698 172.918 174.700 -0.140 0.000 1.008 168 T CA -0.941 61.145 62.100 -0.023 0.000 0.997 168 T CB 2.348 71.212 68.868 -0.006 0.000 0.992 168 T HN 0.694 8.768 8.240 -0.101 0.106 0.454 169 H N 4.013 123.091 119.070 0.013 0.000 2.481 169 H HA 0.544 nan 4.556 nan 0.000 0.333 169 H C -0.805 174.528 175.328 0.007 0.000 1.066 169 H CA -0.955 55.103 56.048 0.017 0.000 1.209 169 H CB 1.107 30.884 29.762 0.025 0.000 1.445 169 H HN 0.253 8.690 8.280 0.262 0.000 0.488 170 V N 6.526 126.497 119.914 0.093 0.000 2.334 170 V HA 0.209 nan 4.120 nan 0.000 0.281 170 V C -0.701 175.433 176.094 0.065 0.000 1.016 170 V CA -1.202 61.119 62.300 0.035 0.000 0.832 170 V CB 0.886 32.675 31.823 -0.056 0.000 0.999 170 V HN 1.045 9.165 8.190 0.067 0.110 0.439 171 M N 5.924 125.568 119.600 0.074 0.000 2.261 171 M HA -0.055 nan 4.480 nan 0.000 0.350 171 M C -0.145 176.213 176.300 0.097 0.000 1.343 171 M CA 0.451 55.808 55.300 0.096 0.000 1.003 171 M CB -0.756 31.887 32.600 0.071 0.000 1.848 171 M HN 0.440 8.766 8.290 0.061 0.000 0.456 172 I N 4.342 125.012 120.570 0.165 0.000 2.382 172 I HA 0.206 nan 4.170 nan 0.000 0.286 172 I C -1.892 174.384 176.117 0.265 0.000 1.002 172 I CA -1.002 60.427 61.300 0.214 0.000 1.135 172 I CB 1.821 39.982 38.000 0.268 0.000 1.288 172 I HN 0.940 9.177 8.210 0.198 0.092 0.448 173 R N 8.369 128.986 120.500 0.195 0.000 2.410 173 R HA 0.321 nan 4.340 nan 0.000 0.288 173 R C -2.221 174.188 176.300 0.181 0.000 1.051 173 R CA -0.667 55.520 56.100 0.144 0.000 1.021 173 R CB 1.835 32.165 30.300 0.050 0.000 1.032 173 R HN 0.676 9.043 8.270 0.163 0.000 0.481 174 C N 6.940 126.323 119.300 0.138 0.000 2.291 174 C HA 0.559 nan 4.460 nan 0.000 0.322 174 C C -1.200 173.745 174.990 -0.076 0.000 1.205 174 C CA -1.978 57.026 59.018 -0.022 0.000 1.495 174 C CB -0.947 26.873 27.740 0.134 0.000 2.127 174 C HN 0.059 8.574 8.230 0.136 -0.204 0.452 175 Q N 7.151 126.869 119.800 -0.136 0.000 2.340 175 Q HA 0.253 nan 4.340 nan 0.000 0.268 175 Q C -0.184 175.745 176.000 -0.118 0.000 1.031 175 Q CA -1.822 53.925 55.803 -0.093 0.000 0.804 175 Q CB 2.690 31.388 28.738 -0.066 0.000 1.286 175 Q HN 0.643 8.793 8.270 -0.200 0.000 0.448 176 E N 3.755 123.906 120.200 -0.082 0.000 2.238 176 E HA -0.392 nan 4.350 nan 0.000 0.219 176 E C -0.562 175.975 176.600 -0.104 0.000 1.275 176 E CA 0.802 57.158 56.400 -0.073 0.000 0.714 176 E CB -1.181 28.483 29.700 -0.060 0.000 1.154 176 E HN 0.750 9.074 8.360 -0.060 0.000 0.363 177 L N -5.534 115.604 121.223 -0.141 0.000 4.001 177 L HA -0.390 nan 4.340 nan 0.000 0.413 177 L C -1.483 175.211 176.870 -0.293 0.000 1.185 177 L CA 1.297 56.027 54.840 -0.183 0.000 0.963 177 L CB -1.041 40.985 42.059 -0.055 0.000 1.976 177 L HN 0.393 8.548 8.230 -0.121 0.003 0.939 178 K N -2.908 117.253 120.400 -0.397 0.000 2.395 178 K HA 0.513 nan 4.320 nan 0.000 0.247 178 K C -2.028 174.240 176.600 -0.554 0.000 0.973 178 K CA -1.307 54.757 56.287 -0.371 0.000 0.828 178 K CB 4.064 36.473 32.500 -0.151 0.000 1.272 178 K HN -0.285 7.592 8.250 -0.315 0.184 0.439 179 Y N -1.380 118.982 120.300 0.103 0.000 2.446 179 Y HA 0.578 nan 4.550 nan 0.000 0.345 179 Y C -1.604 174.418 175.900 0.204 0.000 0.984 179 Y CA -1.511 56.679 58.100 0.151 0.000 1.058 179 Y CB 2.833 41.382 38.460 0.147 0.000 1.220 179 Y HN 0.857 9.120 8.280 0.157 0.111 0.455 180 D N -1.249 119.324 120.400 0.287 0.000 2.583 180 D HA 0.470 nan 4.640 nan 0.000 0.248 180 D C -1.048 175.369 176.300 0.195 0.000 1.209 180 D CA -1.119 53.030 54.000 0.248 0.000 0.848 180 D CB 4.152 45.007 40.800 0.091 0.000 1.431 180 D HN 0.431 8.954 8.370 0.255 0.000 0.436 181 V N -7.229 112.777 119.914 0.154 0.000 3.170 181 V HA 0.445 nan 4.120 nan 0.000 0.354 181 V C 0.336 176.441 176.094 0.019 0.000 1.350 181 V CA -2.287 60.034 62.300 0.036 0.000 1.244 181 V CB -1.836 29.907 31.823 -0.133 0.000 1.222 181 V HN 0.715 9.038 8.190 0.221 0.000 0.478 182 G N -0.819 108.002 108.800 0.036 0.000 2.238 182 G HA2 -0.177 nan 3.960 nan 0.000 0.217 182 G HA3 -0.177 nan 3.960 nan 0.000 0.217 182 G C -0.856 174.052 174.900 0.014 0.000 0.996 182 G CA 0.050 45.159 45.100 0.015 0.000 0.632 182 G HN 0.083 8.588 8.290 0.054 -0.183 0.503 183 G N -1.289 107.528 108.800 0.028 0.000 2.451 183 G HA2 -0.013 nan 3.960 nan 0.000 0.292 183 G HA3 -0.013 nan 3.960 nan 0.000 0.292 183 G C -1.104 173.815 174.900 0.033 0.000 1.427 183 G CA -0.064 45.047 45.100 0.019 0.000 0.792 183 G HN -0.436 7.817 8.290 0.048 0.066 0.498 184 G N 0.288 109.090 108.800 0.003 0.000 2.496 184 G HA2 -0.295 nan 3.960 nan 0.000 0.243 184 G HA3 -0.295 nan 3.960 nan 0.000 0.243 184 G C -1.115 173.719 174.900 -0.110 0.000 1.176 184 G CA -0.455 44.638 45.100 -0.012 0.000 0.940 184 G HN -0.027 8.258 8.290 -0.008 0.000 0.573 185 E N 2.409 122.483 120.200 -0.211 0.000 2.366 185 E HA -0.053 nan 4.350 nan 0.000 0.266 185 E C -0.587 175.598 176.600 -0.691 0.000 1.051 185 E CA -0.167 55.921 56.400 -0.519 0.000 0.884 185 E CB 0.754 29.961 29.700 -0.821 0.000 1.006 185 E HN 0.167 8.455 8.360 -0.121 0.000 0.417 186 R N 2.731 122.849 120.500 -0.638 0.000 2.310 186 R HA 0.224 nan 4.340 nan 0.000 0.324 186 R C -0.500 175.486 176.300 -0.524 0.000 0.955 186 R CA -0.854 54.969 56.100 -0.461 0.000 0.830 186 R CB 1.140 31.309 30.300 -0.219 0.000 1.154 186 R HN 0.178 8.138 8.270 -0.517 0.000 0.458 187 F N 3.871 123.833 119.950 0.019 0.000 2.379 187 F HA 0.179 nan 4.527 nan 0.000 0.332 187 F C 0.836 176.706 175.800 0.116 0.000 1.096 187 F CA -1.025 57.000 58.000 0.041 0.000 1.105 187 F CB 1.307 40.331 39.000 0.040 0.000 1.189 187 F HN 0.731 9.019 8.300 -0.021 0.000 0.515 188 D N -0.230 120.325 120.400 0.259 0.000 2.317 188 D HA -0.137 nan 4.640 nan 0.000 0.211 188 D C -0.771 175.708 176.300 0.298 0.000 0.966 188 D CA 2.437 56.557 54.000 0.199 0.000 0.876 188 D CB 0.376 41.243 40.800 0.111 0.000 0.927 188 D HN 0.572 9.081 8.370 0.232 0.000 0.519 189 S N -7.158 108.716 115.700 0.290 0.000 2.556 189 S HA 0.246 nan 4.470 nan 0.000 0.271 189 S C -0.230 174.280 174.600 -0.150 0.000 1.135 189 S CA -1.914 56.334 58.200 0.080 0.000 0.858 189 S CB 3.587 66.790 63.200 0.005 0.000 1.114 189 S HN -1.006 7.434 8.310 0.316 0.060 0.468 190 L N 2.282 123.183 121.223 -0.537 0.000 2.042 190 L HA -0.375 nan 4.340 nan 0.000 0.210 190 L C 1.587 178.311 176.870 -0.243 0.000 1.076 190 L CA 4.057 58.587 54.840 -0.516 0.000 0.749 190 L CB -0.372 41.332 42.059 -0.591 0.000 0.893 190 L HN 0.866 8.671 8.230 -0.707 0.000 0.432 191 T N 1.150 115.699 114.554 -0.009 0.000 2.720 191 T HA -0.421 nan 4.350 nan 0.000 0.268 191 T C 2.005 176.656 174.700 -0.081 0.000 1.037 191 T CA 5.029 67.204 62.100 0.125 0.000 1.144 191 T CB -0.931 68.030 68.868 0.155 0.000 0.864 191 T HN 0.118 8.336 8.240 -0.036 0.000 0.444 192 D N 2.366 122.702 120.400 -0.106 0.000 2.117 192 D HA -0.180 nan 4.640 nan 0.000 0.198 192 D C 1.949 177.921 176.300 -0.547 0.000 0.982 192 D CA 3.558 57.465 54.000 -0.156 0.000 0.828 192 D CB -0.583 40.242 40.800 0.041 0.000 0.967 192 D HN -0.013 8.231 8.370 -0.066 0.086 0.464 193 L N 0.430 121.247 121.223 -0.677 0.000 1.989 193 L HA -0.405 nan 4.340 nan 0.000 0.211 193 L C 1.868 178.401 176.870 -0.561 0.000 1.071 193 L CA 3.487 57.735 54.840 -0.987 0.000 0.749 193 L CB 0.079 41.905 42.059 -0.388 0.000 0.890 193 L HN -0.231 7.783 8.230 -0.359 0.000 0.431 194 V N -1.081 118.534 119.914 -0.498 0.000 2.343 194 V HA -0.524 nan 4.120 nan 0.000 0.247 194 V C 2.585 178.439 176.094 -0.400 0.000 1.051 194 V CA 4.467 66.438 62.300 -0.548 0.000 1.036 194 V CB -0.944 30.290 31.823 -0.981 0.000 0.654 194 V HN 0.307 8.196 8.190 -0.501 0.000 0.451 195 E N -1.180 118.843 120.200 -0.295 0.000 2.077 195 E HA -0.350 nan 4.350 nan 0.000 0.193 195 E C 2.204 178.661 176.600 -0.238 0.000 0.989 195 E CA 2.854 59.136 56.400 -0.195 0.000 0.800 195 E CB -0.845 28.793 29.700 -0.105 0.000 0.746 195 E HN 0.267 8.347 8.360 -0.289 0.107 0.452 196 H N 0.878 119.692 119.070 -0.427 0.000 2.353 196 H HA -0.260 nan 4.556 nan 0.000 0.300 196 H C 2.567 177.576 175.328 -0.532 0.000 1.090 196 H CA 4.157 59.908 56.048 -0.495 0.000 1.327 196 H CB 0.629 29.947 29.762 -0.739 0.000 1.383 196 H HN 0.028 8.102 8.280 -0.343 0.000 0.508 197 Y N -3.285 116.857 120.300 -0.265 0.000 2.511 197 Y HA -0.031 nan 4.550 nan 0.000 0.279 197 Y C 1.342 177.045 175.900 -0.328 0.000 1.157 197 Y CA 1.401 59.344 58.100 -0.261 0.000 1.300 197 Y CB -0.602 37.736 38.460 -0.203 0.000 1.052 197 Y HN -0.259 7.837 8.280 -0.306 0.000 0.529 198 K N -0.731 119.512 120.400 -0.261 0.000 2.103 198 K HA -0.264 nan 4.320 nan 0.000 0.204 198 K C 1.413 177.893 176.600 -0.200 0.000 1.052 198 K CA 2.740 58.871 56.287 -0.258 0.000 0.945 198 K CB -0.021 32.339 32.500 -0.234 0.000 0.722 198 K HN 0.090 7.966 8.250 -0.285 0.203 0.443 199 K N -3.862 116.398 120.400 -0.235 0.000 2.211 199 K HA -0.079 nan 4.320 nan 0.000 0.201 199 K C 0.611 177.076 176.600 -0.225 0.000 1.052 199 K CA 1.355 57.517 56.287 -0.209 0.000 0.973 199 K CB 0.930 33.302 32.500 -0.213 0.000 0.766 199 K HN -0.495 7.589 8.250 -0.277 0.000 0.466 200 N N 0.171 118.679 118.700 -0.319 0.000 2.904 200 N HA 0.326 nan 4.740 nan 0.000 0.257 200 N C -2.751 172.721 175.510 -0.064 0.000 1.363 200 N CA -1.859 51.045 53.050 -0.243 0.000 0.856 200 N CB 0.356 38.583 38.487 -0.433 0.000 1.166 200 N HN -0.461 7.562 8.380 -0.420 0.105 0.499 201 P HA -0.078 nan 4.420 nan 0.000 0.262 201 P C -0.968 176.365 177.300 0.055 0.000 1.199 201 P CA 0.174 63.275 63.100 0.001 0.000 0.763 201 P CB 0.459 32.135 31.700 -0.040 0.000 0.790 202 M N 4.633 124.278 119.600 0.074 0.000 2.255 202 M HA -0.228 nan 4.480 nan 0.000 0.356 202 M C -0.371 175.929 176.300 0.001 0.000 1.338 202 M CA 1.189 56.501 55.300 0.020 0.000 0.962 202 M CB 0.172 32.697 32.600 -0.124 0.000 1.877 202 M HN 0.266 8.606 8.290 0.082 0.000 0.463 203 V N 3.182 123.105 119.914 0.015 0.000 2.435 203 V HA 0.317 nan 4.120 nan 0.000 0.290 203 V C -0.118 175.979 176.094 0.005 0.000 1.030 203 V CA -1.715 60.591 62.300 0.010 0.000 0.881 203 V CB 0.523 32.356 31.823 0.017 0.000 0.983 203 V HN -0.056 8.153 8.190 0.032 0.000 0.445 204 E N 6.334 126.535 120.200 0.003 0.000 2.360 204 E HA 0.018 nan 4.350 nan 0.000 0.269 204 E C 0.057 176.661 176.600 0.006 0.000 1.022 204 E CA -0.393 56.009 56.400 0.003 0.000 0.887 204 E CB 1.081 30.784 29.700 0.005 0.000 0.990 204 E HN 0.706 8.964 8.360 0.004 0.105 0.426 205 T N 6.514 121.072 114.554 0.007 0.000 2.972 205 T HA -0.142 nan 4.350 nan 0.000 0.245 205 T C -0.427 174.277 174.700 0.007 0.000 0.977 205 T CA 1.882 63.986 62.100 0.007 0.000 1.266 205 T CB -0.913 67.960 68.868 0.007 0.000 0.985 205 T HN 0.777 9.021 8.240 0.005 0.000 0.605 206 L N 4.991 126.218 121.223 0.006 0.000 2.403 206 L HA 0.018 nan 4.340 nan 0.000 0.511 206 L C -0.083 176.790 176.870 0.005 0.000 0.779 206 L CA 0.926 55.770 54.840 0.005 0.000 2.104 206 L CB 0.692 42.755 42.059 0.006 0.000 1.514 206 L HN 0.325 8.537 8.230 0.007 0.022 0.459 207 G N -0.895 107.909 108.800 0.006 0.000 2.797 207 G HA2 -0.269 nan 3.960 nan 0.000 0.195 207 G HA3 -0.269 nan 3.960 nan 0.000 0.195 207 G C -0.710 174.194 174.900 0.007 0.000 1.026 207 G CA 0.277 45.380 45.100 0.006 0.000 0.759 207 G HN -0.226 7.951 8.290 0.007 0.117 0.475 208 T N 4.763 119.321 114.554 0.008 0.000 2.871 208 T HA -0.038 nan 4.350 nan 0.000 0.296 208 T C -0.971 173.739 174.700 0.018 0.000 0.998 208 T CA 1.527 63.635 62.100 0.013 0.000 1.162 208 T CB 0.692 69.569 68.868 0.014 0.000 0.947 208 T HN -0.257 7.987 8.240 0.007 0.000 0.536 209 V N 7.124 127.056 119.914 0.029 0.000 2.348 209 V HA 0.251 nan 4.120 nan 0.000 0.270 209 V C 0.060 176.173 176.094 0.032 0.000 1.037 209 V CA -0.640 61.676 62.300 0.027 0.000 0.872 209 V CB -0.015 31.826 31.823 0.031 0.000 1.002 209 V HN 0.479 8.690 8.190 0.034 0.000 0.464 210 L N 8.916 130.136 121.223 -0.004 0.000 2.376 210 L HA -0.045 nan 4.340 nan 0.000 0.250 210 L C -0.648 176.172 176.870 -0.083 0.000 1.335 210 L CA -0.521 54.298 54.840 -0.035 0.000 1.214 210 L CB -2.327 39.692 42.059 -0.067 0.000 1.395 210 L HN 0.491 8.714 8.230 -0.011 0.000 0.424 211 Q N 0.975 120.729 119.800 -0.076 0.000 2.286 211 Q HA -0.145 nan 4.340 nan 0.000 0.267 211 Q C -0.689 175.178 176.000 -0.222 0.000 1.028 211 Q CA -0.426 55.291 55.803 -0.144 0.000 0.901 211 Q CB 0.634 29.292 28.738 -0.134 0.000 1.183 211 Q HN -0.235 7.979 8.270 -0.011 0.049 0.392 212 L N 6.117 127.153 121.223 -0.311 0.000 2.358 212 L HA 0.034 nan 4.340 nan 0.000 0.274 212 L C -0.415 176.330 176.870 -0.208 0.000 1.136 212 L CA -0.140 54.388 54.840 -0.521 0.000 0.970 212 L CB -1.514 39.867 42.059 -1.130 0.000 1.314 212 L HN 0.546 8.602 8.230 -0.290 0.000 0.427 213 K N 3.023 123.427 120.400 0.007 0.000 2.029 213 K HA -0.081 nan 4.320 nan 0.000 0.205 213 K C -0.551 176.173 176.600 0.206 0.000 1.042 213 K CA 2.159 58.480 56.287 0.056 0.000 0.949 213 K CB 1.197 33.683 32.500 -0.024 0.000 0.740 213 K HN 0.471 8.619 8.250 0.019 0.113 0.442 214 Q N -3.887 116.076 119.800 0.272 0.000 2.379 214 Q HA 0.485 nan 4.340 nan 0.000 0.278 214 Q C -3.204 172.755 176.000 -0.067 0.000 1.068 214 Q CA -3.231 52.672 55.803 0.167 0.000 0.816 214 Q CB 0.955 29.734 28.738 0.068 0.000 1.387 214 Q HN -0.716 7.721 8.270 0.279 0.000 0.413 215 P HA 0.178 nan 4.420 nan 0.000 0.272 215 P C -1.114 176.047 177.300 -0.231 0.000 1.230 215 P CA -0.138 62.639 63.100 -0.537 0.000 0.788 215 P CB 0.589 32.126 31.700 -0.272 0.000 0.949 216 L N 1.476 122.584 121.223 -0.192 0.000 2.513 216 L HA -0.180 nan 4.340 nan 0.000 0.272 216 L C -0.626 176.260 176.870 0.026 0.000 1.187 216 L CA 0.557 55.383 54.840 -0.024 0.000 0.895 216 L CB 0.492 42.593 42.059 0.070 0.000 1.147 216 L HN 0.121 8.158 8.230 -0.321 0.000 0.483 217 N N 5.144 123.852 118.700 0.013 0.000 2.452 217 N HA -0.082 nan 4.740 nan 0.000 0.266 217 N C -0.004 175.510 175.510 0.006 0.000 1.175 217 N CA 0.648 53.705 53.050 0.012 0.000 0.945 217 N CB 0.996 39.490 38.487 0.012 0.000 1.063 217 N HN 0.188 8.572 8.380 0.007 0.000 0.472 218 T N -0.170 114.379 114.554 -0.008 0.000 3.132 218 T HA 0.365 nan 4.350 nan 0.000 0.274 218 T C 0.464 175.152 174.700 -0.021 0.000 1.011 218 T CA 0.063 62.133 62.100 -0.049 0.000 0.899 218 T CB 0.121 68.901 68.868 -0.146 0.000 1.089 218 T HN 0.404 8.644 8.240 0.001 0.000 0.543 219 T N -0.854 113.710 114.554 0.017 0.000 2.964 219 T HA 0.209 nan 4.350 nan 0.000 0.250 219 T C 0.318 175.061 174.700 0.073 0.000 0.982 219 T CA 0.512 62.648 62.100 0.061 0.000 0.959 219 T CB 1.096 70.022 68.868 0.095 0.000 1.141 219 T HN 0.059 8.636 8.240 0.017 -0.327 0.494 220 R N 4.238 124.765 120.500 0.045 0.000 2.449 220 R HA -0.055 nan 4.340 nan 0.000 0.296 220 R C -0.320 176.001 176.300 0.036 0.000 1.047 220 R CA 1.386 57.509 56.100 0.038 0.000 1.018 220 R CB 0.300 30.615 30.300 0.024 0.000 0.962 220 R HN -0.466 8.159 8.270 0.034 -0.335 0.428 221 I N -0.118 120.478 120.570 0.043 0.000 3.170 221 I HA 0.465 nan 4.170 nan 0.000 0.312 221 I C -2.134 173.999 176.117 0.027 0.000 1.085 221 I CA -2.996 58.327 61.300 0.038 0.000 0.999 221 I CB 3.361 41.398 38.000 0.060 0.000 1.233 221 I HN 0.583 8.820 8.210 0.045 0.000 0.467 222 N N 0.316 119.030 118.700 0.022 0.000 2.458 222 N HA 0.016 nan 4.740 nan 0.000 0.270 222 N C 1.402 176.926 175.510 0.023 0.000 1.102 222 N CA 0.147 53.208 53.050 0.017 0.000 0.967 222 N CB 1.000 39.494 38.487 0.012 0.000 1.078 222 N HN 0.341 8.733 8.380 0.020 0.000 0.471 223 A N 8.270 131.102 122.820 0.020 0.000 1.917 223 A HA -0.344 nan 4.320 nan 0.000 0.219 223 A C 1.566 179.167 177.584 0.028 0.000 1.182 223 A CA 3.345 55.398 52.037 0.026 0.000 0.633 223 A CB -0.484 18.530 19.000 0.023 0.000 0.819 223 A HN 1.214 9.373 8.150 0.015 0.000 0.448 224 A N -3.008 119.822 122.820 0.016 0.000 2.093 224 A HA -0.246 nan 4.320 nan 0.000 0.222 224 A C 1.710 179.301 177.584 0.011 0.000 1.162 224 A CA 2.540 54.581 52.037 0.008 0.000 0.655 224 A CB -0.552 18.448 19.000 0.001 0.000 0.805 224 A HN -0.299 7.859 8.150 0.013 0.000 0.461 225 E N -3.114 117.097 120.200 0.018 0.000 2.476 225 E HA 0.167 nan 4.350 nan 0.000 0.196 225 E C 1.029 177.648 176.600 0.031 0.000 1.029 225 E CA -0.500 55.910 56.400 0.017 0.000 0.896 225 E CB 0.328 30.035 29.700 0.011 0.000 1.012 225 E HN -0.401 7.777 8.360 0.021 0.194 0.475 226 I N 0.791 121.392 120.570 0.053 0.000 2.335 226 I HA -0.543 nan 4.170 nan 0.000 0.251 226 I C 0.160 176.323 176.117 0.077 0.000 1.129 226 I CA 4.092 65.449 61.300 0.095 0.000 1.402 226 I CB 0.251 38.329 38.000 0.129 0.000 1.069 226 I HN 0.031 8.106 8.210 0.047 0.163 0.424 227 E N -0.876 119.354 120.200 0.050 0.000 2.110 227 E HA -0.425 nan 4.350 nan 0.000 0.193 227 E C 2.043 178.649 176.600 0.010 0.000 0.988 227 E CA 3.564 59.986 56.400 0.037 0.000 0.804 227 E CB -0.588 29.127 29.700 0.024 0.000 0.745 227 E HN 0.187 8.555 8.360 0.043 0.017 0.458 228 S N -0.271 115.429 115.700 0.000 0.000 2.368 228 S HA -0.258 nan 4.470 nan 0.000 0.224 228 S C 1.955 176.527 174.600 -0.047 0.000 1.029 228 S CA 3.202 61.391 58.200 -0.019 0.000 0.988 228 S CB -0.122 63.069 63.200 -0.015 0.000 0.838 228 S HN -0.323 7.883 8.310 0.008 0.110 0.462 229 R N 1.617 122.091 120.500 -0.044 0.000 2.083 229 R HA -0.305 nan 4.340 nan 0.000 0.237 229 R C 2.309 178.481 176.300 -0.213 0.000 1.137 229 R CA 3.108 59.147 56.100 -0.101 0.000 0.951 229 R CB -0.411 29.867 30.300 -0.037 0.000 0.851 229 R HN -0.498 7.765 8.270 -0.013 0.000 0.434 230 V N -0.420 119.408 119.914 -0.143 0.000 2.343 230 V HA -0.426 nan 4.120 nan 0.000 0.247 230 V C 2.540 178.541 176.094 -0.156 0.000 1.051 230 V CA 4.097 66.299 62.300 -0.164 0.000 1.036 230 V CB -0.999 30.865 31.823 0.069 0.000 0.654 230 V HN 0.469 8.527 8.190 -0.044 0.106 0.451 231 R N -0.322 120.128 120.500 -0.083 0.000 2.083 231 R HA -0.453 nan 4.340 nan 0.000 0.237 231 R C 1.903 178.138 176.300 -0.107 0.000 1.137 231 R CA 3.972 60.034 56.100 -0.062 0.000 0.951 231 R CB -0.161 30.118 30.300 -0.035 0.000 0.851 231 R HN 0.034 8.273 8.270 -0.053 0.000 0.434 232 E N -0.980 119.137 120.200 -0.140 0.000 2.085 232 E HA -0.299 nan 4.350 nan 0.000 0.194 232 E C 2.300 178.764 176.600 -0.226 0.000 0.994 232 E CA 2.698 59.008 56.400 -0.150 0.000 0.801 232 E CB -0.191 29.425 29.700 -0.140 0.000 0.743 232 E HN -0.269 8.014 8.360 -0.128 0.000 0.453 233 L N -2.377 118.596 121.223 -0.416 0.000 2.341 233 L HA -0.110 nan 4.340 nan 0.000 0.214 233 L C 1.868 178.443 176.870 -0.493 0.000 1.115 233 L CA 2.172 56.614 54.840 -0.664 0.000 0.820 233 L CB 0.302 41.490 42.059 -1.452 0.000 0.944 233 L HN -0.192 7.693 8.230 -0.437 0.083 0.452 234 S N -0.191 115.354 115.700 -0.259 0.000 2.406 234 S HA -0.170 nan 4.470 nan 0.000 0.228 234 S C 0.169 174.799 174.600 0.050 0.000 1.020 234 S CA 2.914 61.146 58.200 0.053 0.000 0.965 234 S CB 0.127 63.391 63.200 0.107 0.000 0.798 234 S HN -0.139 7.865 8.310 -0.259 0.151 0.488 247 F N 0.930 120.959 119.950 0.131 0.000 2.154 247 F HA -0.330 nan 4.527 nan 0.000 0.301 247 F C 0.477 176.431 175.800 0.256 0.000 1.087 247 F CA 3.654 61.767 58.000 0.189 0.000 1.274 247 F CB 0.118 39.221 39.000 0.172 0.000 1.009 247 F HN -0.251 8.114 8.300 0.108 0.000 0.485 248 W N -1.154 120.320 121.300 0.290 0.000 2.358 248 W HA -0.431 nan 4.660 nan 0.000 0.303 248 W C 1.104 177.739 176.519 0.194 0.000 1.208 248 W CA 4.846 62.327 57.345 0.226 0.000 1.274 248 W CB -0.004 29.558 29.460 0.169 0.000 1.138 248 W HN -0.205 8.340 8.180 0.605 -0.003 0.515 249 E N -1.982 118.272 120.200 0.091 0.000 2.072 249 E HA -0.486 nan 4.350 nan 0.000 0.191 249 E C 1.923 178.434 176.600 -0.148 0.000 0.985 249 E CA 4.066 60.388 56.400 -0.129 0.000 0.801 249 E CB -0.727 28.991 29.700 0.029 0.000 0.750 249 E HN -0.094 8.369 8.360 0.313 0.085 0.452 250 E N -0.145 120.049 120.200 -0.009 0.000 2.150 250 E HA -0.271 nan 4.350 nan 0.000 0.193 250 E C 2.306 178.841 176.600 -0.107 0.000 0.985 250 E CA 2.581 58.993 56.400 0.020 0.000 0.814 250 E CB -0.013 29.809 29.700 0.203 0.000 0.752 250 E HN -0.720 7.681 8.360 0.069 0.000 0.466 251 F N 1.010 120.707 119.950 -0.421 0.000 2.113 251 F HA -0.287 nan 4.527 nan 0.000 0.297 251 F C 1.554 177.066 175.800 -0.481 0.000 1.103 251 F CA 3.080 60.667 58.000 -0.687 0.000 1.248 251 F CB 0.286 38.925 39.000 -0.601 0.000 0.999 251 F HN -0.225 8.086 8.300 0.018 0.000 0.475 252 E N -1.808 118.044 120.200 -0.580 0.000 2.150 252 E HA -0.344 nan 4.350 nan 0.000 0.193 252 E C 2.784 179.095 176.600 -0.482 0.000 0.985 252 E CA 3.302 59.320 56.400 -0.638 0.000 0.814 252 E CB -0.532 28.752 29.700 -0.692 0.000 0.752 252 E HN 0.009 8.074 8.360 -0.490 0.000 0.466 253 T N 1.927 116.259 114.554 -0.370 0.000 2.904 253 T HA -0.148 nan 4.350 nan 0.000 0.267 253 T C 1.826 176.365 174.700 -0.268 0.000 1.059 253 T CA 4.168 66.101 62.100 -0.277 0.000 1.137 253 T CB -0.407 68.346 68.868 -0.192 0.000 0.879 253 T HN -0.251 7.779 8.240 -0.350 0.000 0.467 254 L N 0.034 121.075 121.223 -0.303 0.000 2.072 254 L HA -0.160 nan 4.340 nan 0.000 0.205 254 L C 1.826 178.484 176.870 -0.352 0.000 1.079 254 L CA 2.760 57.440 54.840 -0.267 0.000 0.752 254 L CB -0.116 41.811 42.059 -0.220 0.000 0.906 254 L HN -0.632 7.341 8.230 -0.317 0.067 0.436 255 Q N -1.274 118.189 119.800 -0.561 0.000 2.061 255 Q HA -0.438 nan 4.340 nan 0.000 0.204 255 Q C 2.640 178.386 176.000 -0.423 0.000 0.984 255 Q CA 2.997 58.462 55.803 -0.563 0.000 0.846 255 Q CB -0.893 27.372 28.738 -0.788 0.000 0.902 255 Q HN 0.258 8.034 8.270 -0.698 0.076 0.421 256 Q N -0.907 118.650 119.800 -0.405 0.000 2.308 256 Q HA -0.297 nan 4.340 nan 0.000 0.209 256 Q C 2.357 178.204 176.000 -0.256 0.000 0.985 256 Q CA 2.542 58.143 55.803 -0.337 0.000 0.881 256 Q CB -0.279 28.284 28.738 -0.292 0.000 0.917 256 Q HN -0.208 7.803 8.270 -0.432 0.000 0.443 257 Q N -2.285 117.386 119.800 -0.214 0.000 2.403 257 Q HA -0.093 nan 4.340 nan 0.000 0.203 257 Q C 1.753 177.682 176.000 -0.118 0.000 0.932 257 Q CA 1.222 56.939 55.803 -0.143 0.000 0.945 257 Q CB -0.023 28.649 28.738 -0.109 0.000 1.045 257 Q HN -0.550 7.415 8.270 -0.239 0.161 0.511 258 E N -0.075 120.041 120.200 -0.140 0.000 2.347 258 E HA -0.172 nan 4.350 nan 0.000 0.196 258 E C 1.625 178.178 176.600 -0.079 0.000 1.008 258 E CA 2.535 58.879 56.400 -0.093 0.000 0.852 258 E CB -0.393 29.251 29.700 -0.094 0.000 0.783 258 E HN 0.324 8.395 8.360 -0.191 0.174 0.505 259 C N -3.573 115.675 119.300 -0.086 0.000 2.409 259 C HA -0.078 nan 4.460 nan 0.000 0.284 259 C C 1.742 176.685 174.990 -0.077 0.000 1.354 259 C CA 0.814 59.805 59.018 -0.045 0.000 1.787 259 C CB -1.376 26.334 27.740 -0.049 0.000 1.900 259 C HN -0.174 7.950 8.230 -0.124 0.031 0.520 260 K N 0.141 120.479 120.400 -0.103 0.000 2.439 260 K HA -0.171 nan 4.320 nan 0.000 0.197 260 K C 0.134 176.551 176.600 -0.305 0.000 1.041 260 K CA 1.545 57.755 56.287 -0.129 0.000 0.970 260 K CB -0.229 32.229 32.500 -0.071 0.000 0.773 260 K HN -0.682 7.369 8.250 -0.094 0.143 0.479 261 L N -2.838 118.176 121.223 -0.349 0.000 3.017 261 L HA 0.152 nan 4.340 nan 0.000 0.255 261 L C -0.457 176.005 176.870 -0.679 0.000 1.247 261 L CA -1.586 52.855 54.840 -0.666 0.000 1.038 261 L CB -0.020 41.925 42.059 -0.189 0.000 1.380 261 L HN -0.162 7.750 8.230 -0.203 0.197 0.548 262 L N 1.214 122.147 121.223 -0.483 0.000 2.672 262 L HA -0.062 nan 4.340 nan 0.000 0.238 262 L C -0.455 176.286 176.870 -0.215 0.000 1.392 262 L CA -0.402 54.317 54.840 -0.201 0.000 1.238 262 L CB -2.156 39.866 42.059 -0.061 0.000 1.548 262 L HN -0.203 7.697 8.230 -0.434 0.069 0.423 263 Y N 0.393 120.594 120.300 -0.165 0.000 2.299 263 Y HA -0.016 nan 4.550 nan 0.000 0.335 263 Y C 0.067 175.989 175.900 0.036 0.000 1.287 263 Y CA -0.853 57.107 58.100 -0.233 0.000 1.424 263 Y CB 0.536 38.610 38.460 -0.643 0.000 1.326 263 Y HN -0.164 7.634 8.280 -0.684 0.072 0.567 264 S N -0.845 115.008 115.700 0.255 0.000 2.565 264 S HA 0.047 nan 4.470 nan 0.000 0.276 264 S C 0.378 175.172 174.600 0.324 0.000 1.326 264 S CA -0.105 58.237 58.200 0.237 0.000 1.045 264 S CB 0.756 64.052 63.200 0.160 0.000 0.918 264 S HN 0.153 8.596 8.310 0.222 0.000 0.505 265 R N 3.968 124.631 120.500 0.272 0.000 2.881 265 R HA 0.212 nan 4.340 nan 0.000 0.331 265 R C 0.100 176.497 176.300 0.162 0.000 1.207 265 R CA -1.031 55.221 56.100 0.252 0.000 1.265 265 R CB -0.617 29.830 30.300 0.246 0.000 1.351 265 R HN 0.500 8.906 8.270 0.227 0.000 0.613 266 K N 1.610 122.093 120.400 0.139 0.000 2.002 266 K HA -0.326 nan 4.320 nan 0.000 0.209 266 K C 2.445 179.075 176.600 0.049 0.000 1.048 266 K CA 3.335 59.675 56.287 0.087 0.000 0.930 266 K CB -0.294 32.252 32.500 0.078 0.000 0.714 266 K HN 0.029 8.642 8.250 0.157 -0.269 0.438 267 E N -1.112 119.130 120.200 0.069 0.000 2.097 267 E HA -0.266 nan 4.350 nan 0.000 0.196 267 E C 2.630 179.136 176.600 -0.156 0.000 1.000 267 E CA 2.572 58.981 56.400 0.016 0.000 0.804 267 E CB -0.615 29.169 29.700 0.140 0.000 0.740 267 E HN -0.472 8.220 8.360 0.111 -0.266 0.454 268 G N -3.142 105.639 108.800 -0.031 0.000 2.509 268 G HA2 -0.197 nan 3.960 nan 0.000 0.218 268 G HA3 -0.197 nan 3.960 nan 0.000 0.218 268 G C 0.000 174.799 174.900 -0.169 0.000 1.124 268 G CA 0.801 45.803 45.100 -0.163 0.000 0.776 268 G HN 0.141 8.509 8.290 0.129 0.000 0.547 269 Q N -2.283 117.468 119.800 -0.082 0.000 2.424 269 Q HA -0.032 nan 4.340 nan 0.000 0.204 269 Q C 0.447 176.403 176.000 -0.074 0.000 0.933 269 Q CA 0.018 55.793 55.803 -0.047 0.000 0.929 269 Q CB 0.578 29.328 28.738 0.021 0.000 1.037 269 Q HN -0.591 7.493 8.270 -0.034 0.165 0.511 270 R N -0.206 120.222 120.500 -0.121 0.000 2.734 270 R HA -0.132 nan 4.340 nan 0.000 0.266 270 R C 1.065 177.296 176.300 -0.115 0.000 1.044 270 R CA 0.300 56.337 56.100 -0.106 0.000 1.128 270 R CB 0.428 30.656 30.300 -0.120 0.000 1.010 270 R HN -0.726 7.279 8.270 -0.158 0.170 0.461 271 Q N 3.270 123.025 119.800 -0.074 0.000 2.096 271 Q HA -0.278 nan 4.340 nan 0.000 0.204 271 Q C 2.099 178.052 176.000 -0.077 0.000 0.982 271 Q CA 3.264 59.029 55.803 -0.062 0.000 0.850 271 Q CB -0.392 28.323 28.738 -0.039 0.000 0.901 271 Q HN 0.583 8.820 8.270 -0.056 0.000 0.422 272 E N -3.211 116.940 120.200 -0.081 0.000 2.333 272 E HA -0.188 nan 4.350 nan 0.000 0.198 272 E C 1.065 177.598 176.600 -0.113 0.000 1.007 272 E CA 2.215 58.569 56.400 -0.076 0.000 0.845 272 E CB -0.725 28.940 29.700 -0.058 0.000 0.766 272 E HN 0.501 8.814 8.360 -0.078 0.000 0.507 273 N N -3.686 114.893 118.700 -0.202 0.000 2.250 273 N HA 0.177 nan 4.740 nan 0.000 0.190 273 N C 0.716 176.081 175.510 -0.242 0.000 1.116 273 N CA 0.184 53.028 53.050 -0.342 0.000 0.881 273 N CB 1.036 39.028 38.487 -0.826 0.000 1.006 273 N HN -0.258 7.818 8.380 -0.196 0.187 0.491 274 K N 1.244 121.547 120.400 -0.161 0.000 2.020 274 K HA -0.349 nan 4.320 nan 0.000 0.212 274 K C 1.338 177.887 176.600 -0.085 0.000 1.050 274 K CA 3.808 60.028 56.287 -0.113 0.000 0.929 274 K CB -0.302 32.148 32.500 -0.083 0.000 0.714 274 K HN -0.530 7.526 8.250 -0.144 0.108 0.443 275 N N -4.659 113.999 118.700 -0.070 0.000 2.398 275 N HA -0.096 nan 4.740 nan 0.000 0.188 275 N C 0.303 175.789 175.510 -0.039 0.000 1.122 275 N CA 0.846 53.860 53.050 -0.061 0.000 0.866 275 N CB -0.774 37.680 38.487 -0.054 0.000 0.970 275 N HN 0.124 8.461 8.380 -0.071 0.000 0.462 276 K N -2.242 118.156 120.400 -0.004 0.000 2.444 276 K HA -0.018 nan 4.320 nan 0.000 0.193 276 K C -0.911 175.738 176.600 0.082 0.000 1.024 276 K CA 0.286 56.613 56.287 0.067 0.000 1.077 276 K CB 0.070 32.688 32.500 0.198 0.000 0.833 276 K HN -0.548 7.514 8.250 -0.026 0.173 0.517 277 N N -1.128 117.586 118.700 0.024 0.000 2.421 277 N HA 0.127 nan 4.740 nan 0.000 0.285 277 N C -0.887 174.548 175.510 -0.124 0.000 1.027 277 N CA -0.350 52.696 53.050 -0.006 0.000 0.918 277 N CB 0.997 39.485 38.487 0.002 0.000 1.152 277 N HN -0.812 7.497 8.380 -0.010 0.065 0.485 278 R N 3.185 123.576 120.500 -0.182 0.000 2.092 278 R HA -0.168 nan 4.340 nan 0.000 0.231 278 R C 0.246 176.083 176.300 -0.772 0.000 1.119 278 R CA 2.952 58.784 56.100 -0.446 0.000 0.970 278 R CB 0.793 30.823 30.300 -0.450 0.000 0.864 278 R HN 0.195 8.740 8.270 -0.100 -0.334 0.440 279 Y N -1.954 118.260 120.300 -0.143 0.000 2.326 279 Y HA 0.162 nan 4.550 nan 0.000 0.329 279 Y C 0.394 176.158 175.900 -0.225 0.000 0.973 279 Y CA -2.256 55.708 58.100 -0.226 0.000 1.162 279 Y CB 1.321 39.599 38.460 -0.304 0.000 1.147 279 Y HN -0.302 7.921 8.280 -0.094 0.000 0.456 280 K N 5.007 125.319 120.400 -0.147 0.000 2.127 280 K HA -0.414 nan 4.320 nan 0.000 0.212 280 K C 0.153 176.632 176.600 -0.202 0.000 1.050 280 K CA 2.538 58.723 56.287 -0.169 0.000 0.929 280 K CB -0.707 31.677 32.500 -0.192 0.000 0.715 280 K HN 0.673 8.822 8.250 -0.167 0.000 0.457 281 N N -2.601 115.899 118.700 -0.333 0.000 2.236 281 N HA 0.112 nan 4.740 nan 0.000 0.196 281 N C -1.253 174.119 175.510 -0.229 0.000 1.114 281 N CA 0.169 52.979 53.050 -0.399 0.000 0.859 281 N CB 0.958 38.892 38.487 -0.921 0.000 0.982 281 N HN 0.047 8.178 8.380 -0.375 0.024 0.493 282 I N 2.516 123.006 120.570 -0.134 0.000 2.347 282 I HA -0.003 nan 4.170 nan 0.000 0.283 282 I C -2.056 174.055 176.117 -0.010 0.000 1.058 282 I CA -0.205 61.065 61.300 -0.050 0.000 1.202 282 I CB -0.532 37.458 38.000 -0.016 0.000 1.386 282 I HN -0.408 7.555 8.210 -0.113 0.179 0.475 283 L N 5.179 126.393 121.223 -0.016 0.000 2.323 283 L HA 0.565 nan 4.340 nan 0.000 0.265 283 L C -2.499 174.343 176.870 -0.048 0.000 1.012 283 L CA -4.191 50.662 54.840 0.023 0.000 0.820 283 L CB 0.919 43.018 42.059 0.066 0.000 1.334 283 L HN -0.257 7.956 8.230 -0.027 0.000 0.427 284 P HA 0.037 nan 4.420 nan 0.000 0.279 284 P C -1.010 176.313 177.300 0.038 0.000 1.239 284 P CA -0.952 62.099 63.100 -0.083 0.000 0.789 284 P CB 0.450 32.116 31.700 -0.056 0.000 0.933 285 F N 1.137 121.128 119.950 0.068 0.000 2.607 285 F HA -0.232 nan 4.527 nan 0.000 0.374 285 F C 1.329 177.162 175.800 0.055 0.000 1.104 285 F CA -0.443 57.618 58.000 0.102 0.000 1.296 285 F CB -0.043 38.995 39.000 0.063 0.000 1.085 285 F HN 0.152 8.189 8.300 -0.439 0.000 0.584 286 D N 3.876 124.480 120.400 0.339 0.000 2.149 286 D HA -0.349 nan 4.640 nan 0.000 0.198 286 D C 1.047 177.449 176.300 0.170 0.000 0.990 286 D CA 3.619 57.749 54.000 0.217 0.000 0.839 286 D CB -0.224 40.694 40.800 0.196 0.000 0.948 286 D HN 0.423 9.036 8.370 0.405 0.000 0.460 287 H N -6.336 112.793 119.070 0.098 0.000 2.547 287 H HA 0.060 nan 4.556 nan 0.000 0.272 287 H C 0.741 176.097 175.328 0.047 0.000 0.989 287 H CA 1.041 57.103 56.048 0.023 0.000 1.214 287 H CB 0.227 29.932 29.762 -0.096 0.000 1.389 287 H HN 0.158 8.658 8.280 0.388 0.012 0.577 288 T N -5.391 108.983 114.554 -0.299 0.000 3.058 288 T HA 0.265 nan 4.350 nan 0.000 0.278 288 T C -0.585 174.073 174.700 -0.071 0.000 0.974 288 T CA -0.520 61.471 62.100 -0.181 0.000 0.893 288 T CB 0.892 69.625 68.868 -0.225 0.000 1.138 288 T HN -0.425 7.624 8.240 -0.252 0.039 0.529 289 R N 2.284 122.763 120.500 -0.034 0.000 2.638 289 R HA -0.058 nan 4.340 nan 0.000 0.268 289 R C 0.282 176.543 176.300 -0.066 0.000 1.006 289 R CA 0.618 56.690 56.100 -0.046 0.000 1.088 289 R CB 0.148 30.448 30.300 -0.000 0.000 0.950 289 R HN -0.317 7.949 8.270 -0.007 0.000 0.419 290 V N 4.089 123.935 119.914 -0.113 0.000 2.439 290 V HA -0.063 nan 4.120 nan 0.000 0.271 290 V C -1.040 174.963 176.094 -0.153 0.000 1.040 290 V CA 0.791 63.019 62.300 -0.120 0.000 1.002 290 V CB -0.657 31.079 31.823 -0.144 0.000 1.000 290 V HN 0.183 8.184 8.190 -0.141 0.105 0.477 291 V N 7.097 126.922 119.914 -0.147 0.000 2.364 291 V HA 0.226 nan 4.120 nan 0.000 0.272 291 V C -0.441 175.365 176.094 -0.479 0.000 1.036 291 V CA -1.580 60.576 62.300 -0.240 0.000 0.880 291 V CB -0.236 31.478 31.823 -0.181 0.000 0.991 291 V HN 0.214 8.345 8.190 -0.097 0.000 0.460 292 L N 6.315 127.329 121.223 -0.348 0.000 2.278 292 L HA 0.113 nan 4.340 nan 0.000 0.287 292 L C 0.226 176.904 176.870 -0.321 0.000 1.072 292 L CA -0.532 54.135 54.840 -0.289 0.000 0.819 292 L CB 0.029 42.013 42.059 -0.125 0.000 1.176 292 L HN 0.230 8.210 8.230 -0.229 0.113 0.435 293 H N 2.742 121.831 119.070 0.031 0.000 2.529 293 H HA -0.084 nan 4.556 nan 0.000 0.277 293 H C -0.016 175.335 175.328 0.038 0.000 1.004 293 H CA 0.674 56.742 56.048 0.034 0.000 1.167 293 H CB -0.034 29.748 29.762 0.033 0.000 1.445 293 H HN 0.850 9.444 8.280 -0.159 -0.409 0.554 303 D N 3.015 123.444 120.400 0.047 0.000 2.402 303 D HA 0.064 nan 4.640 nan 0.000 0.216 303 D C -1.594 174.728 176.300 0.037 0.000 1.128 303 D CA 0.024 54.029 54.000 0.008 0.000 0.833 303 D CB 0.502 41.300 40.800 -0.004 0.000 0.971 303 D HN 0.379 8.789 8.370 0.067 0.000 0.503 304 Y N 0.082 120.351 120.300 -0.052 0.000 2.377 304 Y HA 0.582 nan 4.550 nan 0.000 0.339 304 Y C -1.930 173.941 175.900 -0.048 0.000 1.011 304 Y CA -0.407 57.665 58.100 -0.046 0.000 1.093 304 Y CB 2.144 40.586 38.460 -0.031 0.000 1.201 304 Y HN -0.762 7.549 8.280 0.154 0.061 0.455 305 I N 5.504 125.558 120.570 -0.861 0.000 2.722 305 I HA 0.173 nan 4.170 nan 0.000 0.292 305 I C -2.497 173.067 176.117 -0.922 0.000 1.267 305 I CA -1.086 59.789 61.300 -0.707 0.000 1.036 305 I CB 4.230 42.034 38.000 -0.326 0.000 1.281 305 I HN 0.244 7.872 8.210 -0.969 0.000 0.423 306 N N 8.357 126.702 118.700 -0.593 0.000 2.605 306 N HA -0.072 nan 4.740 nan 0.000 0.282 306 N C -1.972 173.412 175.510 -0.209 0.000 1.206 306 N CA 0.049 52.910 53.050 -0.315 0.000 1.074 306 N CB -1.400 37.046 38.487 -0.069 0.000 1.434 306 N HN 0.556 8.711 8.380 -0.375 0.000 0.506 307 A N 3.662 126.342 122.820 -0.233 0.000 2.589 307 A HA 0.494 nan 4.320 nan 0.000 0.296 307 A C -2.584 174.919 177.584 -0.134 0.000 1.062 307 A CA -0.159 51.786 52.037 -0.154 0.000 0.686 307 A CB 3.772 22.675 19.000 -0.161 0.000 1.282 307 A HN -0.056 7.876 8.150 -0.315 0.029 0.404 308 N N -0.484 118.164 118.700 -0.087 0.000 2.225 308 N HA 0.787 nan 4.740 nan 0.000 0.298 308 N C -1.117 174.378 175.510 -0.026 0.000 1.076 308 N CA -0.672 52.340 53.050 -0.063 0.000 0.792 308 N CB 3.880 42.328 38.487 -0.064 0.000 1.498 308 N HN 0.266 8.605 8.380 -0.068 0.000 0.474 309 I N 2.512 123.071 120.570 -0.019 0.000 2.533 309 I HA 0.037 nan 4.170 nan 0.000 0.284 309 I C -0.227 175.919 176.117 0.048 0.000 1.109 309 I CA -0.032 61.276 61.300 0.013 0.000 1.412 309 I CB -0.823 37.180 38.000 0.004 0.000 1.396 309 I HN 0.348 8.537 8.210 -0.034 0.000 0.543 310 I N 9.264 129.896 120.570 0.105 0.000 2.337 310 I HA 0.158 nan 4.170 nan 0.000 0.285 310 I C -1.339 174.886 176.117 0.181 0.000 1.041 310 I CA -2.117 59.269 61.300 0.143 0.000 1.199 310 I CB -0.879 37.217 38.000 0.160 0.000 1.370 310 I HN 0.872 9.044 8.210 0.126 0.114 0.470 311 M N 8.548 128.217 119.600 0.115 0.000 2.080 311 M HA 0.326 nan 4.480 nan 0.000 0.350 311 M C -2.201 174.159 176.300 0.101 0.000 1.173 311 M CA -3.567 51.790 55.300 0.095 0.000 1.052 311 M CB -0.158 32.477 32.600 0.058 0.000 1.577 311 M HN 0.204 8.862 8.290 0.092 -0.313 0.455 325 K N 2.881 123.222 120.400 -0.098 0.000 2.379 325 K HA -0.013 nan 4.320 nan 0.000 0.284 325 K C -1.176 175.247 176.600 -0.295 0.000 1.044 325 K CA 0.293 56.454 56.287 -0.210 0.000 0.974 325 K CB 0.245 32.608 32.500 -0.228 0.000 0.962 325 K HN -0.081 8.130 8.250 -0.066 0.000 0.474 326 S N 2.912 118.405 115.700 -0.345 0.000 2.726 326 S HA 0.506 nan 4.470 nan 0.000 0.308 326 S C -1.546 172.724 174.600 -0.551 0.000 1.115 326 S CA -1.029 56.983 58.200 -0.312 0.000 0.965 326 S CB 2.666 65.812 63.200 -0.090 0.000 1.145 326 S HN 0.171 8.310 8.310 -0.286 0.000 0.532 327 Y N -3.211 117.094 120.300 0.008 0.000 2.536 327 Y HA 0.565 nan 4.550 nan 0.000 0.347 327 Y C -0.817 175.082 175.900 -0.002 0.000 1.000 327 Y CA -1.690 56.420 58.100 0.017 0.000 1.051 327 Y CB 3.914 42.400 38.460 0.043 0.000 1.259 327 Y HN 0.330 8.721 8.280 0.185 0.000 0.468 328 I N 2.058 122.708 120.570 0.132 0.000 2.355 328 I HA 0.391 nan 4.170 nan 0.000 0.288 328 I C -1.666 174.501 176.117 0.084 0.000 0.999 328 I CA -1.051 60.284 61.300 0.059 0.000 1.163 328 I CB 1.937 39.919 38.000 -0.030 0.000 1.316 328 I HN 0.262 8.442 8.210 0.126 0.105 0.454 329 A N 8.679 131.537 122.820 0.063 0.000 2.274 329 A HA 0.797 nan 4.320 nan 0.000 0.309 329 A C -2.193 175.402 177.584 0.019 0.000 1.226 329 A CA -1.458 50.611 52.037 0.053 0.000 0.853 329 A CB 1.488 20.506 19.000 0.029 0.000 1.146 329 A HN 0.615 8.793 8.150 0.046 0.000 0.518 330 T N 3.981 118.565 114.554 0.050 0.000 2.841 330 T HA 0.687 nan 4.350 nan 0.000 0.296 330 T C -1.922 172.803 174.700 0.043 0.000 1.166 330 T CA -1.456 60.656 62.100 0.020 0.000 1.007 330 T CB 3.236 72.107 68.868 0.005 0.000 1.253 330 T HN 0.468 8.765 8.240 0.095 0.000 0.511 331 Q N 0.663 120.455 119.800 -0.013 0.000 2.318 331 Q HA 0.361 nan 4.340 nan 0.000 0.222 331 Q C 0.358 176.281 176.000 -0.128 0.000 1.003 331 Q CA -1.145 54.652 55.803 -0.010 0.000 0.936 331 Q CB 1.275 30.007 28.738 -0.009 0.000 1.204 331 Q HN -0.342 7.902 8.270 -0.043 0.000 0.524 332 G N -2.528 106.224 108.800 -0.080 0.000 2.441 332 G HA2 -0.088 nan 3.960 nan 0.000 0.243 332 G HA3 -0.088 nan 3.960 nan 0.000 0.243 332 G C -0.346 174.374 174.900 -0.301 0.000 1.281 332 G CA -0.571 44.392 45.100 -0.228 0.000 0.854 332 G HN -0.290 8.015 8.290 0.025 0.000 0.560 333 C N 3.224 122.240 119.300 -0.473 0.000 2.563 333 C HA -0.155 nan 4.460 nan 0.000 0.411 333 C C 0.213 175.087 174.990 -0.192 0.000 1.386 333 C CA 1.409 60.208 59.018 -0.365 0.000 1.703 333 C CB -1.154 26.320 27.740 -0.443 0.000 2.596 333 C HN 0.206 8.011 8.230 -0.708 0.000 0.605 334 L N 2.519 123.651 121.223 -0.151 0.000 2.416 334 L HA 0.053 nan 4.340 nan 0.000 0.262 334 L C 0.947 177.769 176.870 -0.080 0.000 1.093 334 L CA -0.838 53.937 54.840 -0.109 0.000 0.801 334 L CB 0.988 42.987 42.059 -0.101 0.000 1.191 334 L HN 0.243 8.380 8.230 -0.154 0.000 0.459 335 Q N 0.267 120.032 119.800 -0.057 0.000 2.234 335 Q HA -0.315 nan 4.340 nan 0.000 0.206 335 Q C 0.991 176.987 176.000 -0.007 0.000 0.980 335 Q CA 2.995 58.781 55.803 -0.028 0.000 0.869 335 Q CB -0.279 28.444 28.738 -0.024 0.000 0.912 335 Q HN 0.563 8.795 8.270 -0.063 0.000 0.436 336 N N -5.817 112.873 118.700 -0.018 0.000 2.322 336 N HA 0.016 nan 4.740 nan 0.000 0.194 336 N C 0.388 175.901 175.510 0.005 0.000 1.126 336 N CA 0.212 53.262 53.050 -0.000 0.000 0.845 336 N CB -0.397 38.086 38.487 -0.008 0.000 0.976 336 N HN 0.018 8.336 8.380 -0.035 0.041 0.475 337 T N -6.750 107.794 114.554 -0.016 0.000 3.043 337 T HA 0.315 nan 4.350 nan 0.000 0.272 337 T C 0.505 175.190 174.700 -0.024 0.000 0.990 337 T CA -0.167 61.922 62.100 -0.018 0.000 0.897 337 T CB 1.510 70.349 68.868 -0.048 0.000 1.111 337 T HN -0.172 7.860 8.240 -0.037 0.185 0.529 338 V N 4.072 123.973 119.914 -0.020 0.000 2.282 338 V HA -0.573 nan 4.120 nan 0.000 0.249 338 V C 1.227 177.399 176.094 0.130 0.000 1.057 338 V CA 4.818 67.111 62.300 -0.012 0.000 1.032 338 V CB -0.885 30.974 31.823 0.060 0.000 0.645 338 V HN -0.330 7.855 8.190 -0.009 0.000 0.447 339 N N -1.949 116.857 118.700 0.176 0.000 2.188 339 N HA -0.337 nan 4.740 nan 0.000 0.184 339 N C 1.632 177.247 175.510 0.174 0.000 1.018 339 N CA 3.329 56.519 53.050 0.234 0.000 0.858 339 N CB -0.179 38.414 38.487 0.176 0.000 0.989 339 N HN 0.245 8.696 8.380 0.134 0.010 0.426 340 D N 0.492 120.949 120.400 0.094 0.000 2.183 340 D HA -0.217 nan 4.640 nan 0.000 0.203 340 D C 1.972 178.270 176.300 -0.003 0.000 0.969 340 D CA 2.850 56.874 54.000 0.041 0.000 0.842 340 D CB -0.436 40.371 40.800 0.011 0.000 0.957 340 D HN -0.368 7.971 8.370 0.079 0.078 0.484 341 F N 2.248 122.072 119.950 -0.210 0.000 2.095 341 F HA -0.446 nan 4.527 nan 0.000 0.298 341 F C 0.993 176.567 175.800 -0.377 0.000 1.104 341 F CA 4.453 62.211 58.000 -0.404 0.000 1.232 341 F CB 0.181 38.773 39.000 -0.681 0.000 0.987 341 F HN 0.131 8.478 8.300 0.078 0.000 0.475 342 W N -3.467 117.856 121.300 0.037 0.000 2.436 342 W HA -0.389 nan 4.660 nan 0.000 0.284 342 W C 2.114 178.635 176.519 0.004 0.000 1.225 342 W CA 3.562 60.911 57.345 0.007 0.000 1.271 342 W CB -0.194 29.317 29.460 0.085 0.000 1.114 342 W HN -0.533 7.729 8.180 0.136 0.000 0.559 343 R N -0.867 119.748 120.500 0.190 0.000 2.096 343 R HA -0.539 nan 4.340 nan 0.000 0.240 343 R C 2.266 178.612 176.300 0.077 0.000 1.139 343 R CA 3.636 59.807 56.100 0.119 0.000 0.952 343 R CB -0.425 29.911 30.300 0.060 0.000 0.854 343 R HN -0.357 8.030 8.270 0.195 0.000 0.436 344 M N 0.398 119.953 119.600 -0.075 0.000 2.067 344 M HA -0.385 nan 4.480 nan 0.000 0.260 344 M C 1.867 178.067 176.300 -0.167 0.000 1.069 344 M CA 4.059 59.260 55.300 -0.165 0.000 1.117 344 M CB 0.027 32.438 32.600 -0.316 0.000 1.334 344 M HN -0.033 8.189 8.290 -0.113 0.000 0.407 345 V N -0.542 119.203 119.914 -0.282 0.000 2.287 345 V HA -0.509 nan 4.120 nan 0.000 0.248 345 V C 1.766 177.885 176.094 0.042 0.000 1.053 345 V CA 4.471 66.661 62.300 -0.183 0.000 1.027 345 V CB -1.254 30.435 31.823 -0.223 0.000 0.646 345 V HN -0.110 7.799 8.190 -0.468 0.000 0.447 346 F N -0.356 119.615 119.950 0.035 0.000 2.075 346 F HA -0.515 nan 4.527 nan 0.000 0.297 346 F C 1.674 177.491 175.800 0.027 0.000 1.113 346 F CA 3.911 61.949 58.000 0.063 0.000 1.218 346 F CB 0.432 39.488 39.000 0.092 0.000 0.984 346 F HN -0.115 8.381 8.300 0.326 0.000 0.472 347 Q N -0.923 119.005 119.800 0.214 0.000 2.061 347 Q HA -0.341 nan 4.340 nan 0.000 0.204 347 Q C 1.963 177.959 176.000 -0.007 0.000 0.984 347 Q CA 2.754 58.630 55.803 0.121 0.000 0.846 347 Q CB 0.035 28.853 28.738 0.134 0.000 0.902 347 Q HN -0.103 8.343 8.270 0.293 0.000 0.421 348 E N -4.330 115.850 120.200 -0.033 0.000 2.502 348 E HA 0.011 nan 4.350 nan 0.000 0.194 348 E C -0.564 175.989 176.600 -0.079 0.000 1.062 348 E CA -0.349 56.019 56.400 -0.054 0.000 0.867 348 E CB -0.226 29.432 29.700 -0.070 0.000 0.888 348 E HN -0.306 8.038 8.360 -0.027 0.000 0.510 349 N N -1.511 117.118 118.700 -0.119 0.000 2.725 349 N HA -0.289 nan 4.740 nan 0.000 0.249 349 N C -0.760 174.706 175.510 -0.072 0.000 1.103 349 N CA 0.806 53.776 53.050 -0.133 0.000 0.707 349 N CB -0.703 37.711 38.487 -0.122 0.000 1.043 349 N HN -0.455 7.646 8.380 -0.140 0.195 0.553 350 S N -0.129 115.537 115.700 -0.057 0.000 2.549 350 S HA -0.090 nan 4.470 nan 0.000 0.283 350 S C -0.255 174.367 174.600 0.037 0.000 1.320 350 S CA 2.302 60.488 58.200 -0.025 0.000 1.058 350 S CB 0.181 63.347 63.200 -0.056 0.000 0.882 350 S HN -0.413 7.831 8.310 -0.072 0.023 0.498 351 R N 2.111 122.658 120.500 0.078 0.000 2.509 351 R HA 0.299 nan 4.340 nan 0.000 0.297 351 R C -1.620 174.845 176.300 0.276 0.000 0.951 351 R CA -0.491 55.711 56.100 0.170 0.000 1.103 351 R CB 0.972 31.374 30.300 0.170 0.000 1.283 351 R HN 0.462 8.762 8.270 0.051 0.000 0.534 352 V N -0.069 119.968 119.914 0.205 0.000 2.733 352 V HA 0.654 nan 4.120 nan 0.000 0.306 352 V C -2.395 173.820 176.094 0.202 0.000 1.084 352 V CA -0.378 62.079 62.300 0.262 0.000 0.905 352 V CB 3.265 35.199 31.823 0.184 0.000 1.010 352 V HN -0.414 7.851 8.190 0.125 0.000 0.424 353 I N 5.382 126.110 120.570 0.263 0.000 2.474 353 I HA 0.696 nan 4.170 nan 0.000 0.294 353 I C -1.758 174.483 176.117 0.207 0.000 1.005 353 I CA -1.255 60.184 61.300 0.232 0.000 1.113 353 I CB 3.432 41.622 38.000 0.317 0.000 1.289 353 I HN 0.618 9.033 8.210 0.342 0.000 0.436 354 V N 6.744 126.706 119.914 0.079 0.000 2.384 354 V HA 0.607 nan 4.120 nan 0.000 0.287 354 V C -2.022 173.961 176.094 -0.184 0.000 1.020 354 V CA -1.438 60.841 62.300 -0.035 0.000 0.850 354 V CB 1.669 33.280 31.823 -0.353 0.000 0.987 354 V HN 1.100 9.226 8.190 0.077 0.111 0.436 355 M N 8.746 128.260 119.600 -0.144 0.000 2.181 355 M HA 0.648 nan 4.480 nan 0.000 0.323 355 M C -1.426 174.811 176.300 -0.105 0.000 1.004 355 M CA -1.289 53.758 55.300 -0.422 0.000 0.941 355 M CB 3.550 35.906 32.600 -0.406 0.000 1.579 355 M HN 0.670 9.009 8.290 0.082 0.000 0.427 356 T N 2.609 117.061 114.554 -0.170 0.000 3.269 356 T HA 0.375 nan 4.350 nan 0.000 0.269 356 T C -1.225 173.478 174.700 0.005 0.000 0.993 356 T CA -1.656 60.434 62.100 -0.017 0.000 0.909 356 T CB -0.416 68.355 68.868 -0.162 0.000 1.115 356 T HN 0.518 8.554 8.240 -0.340 0.000 0.543 357 T N 1.052 115.659 114.554 0.089 0.000 2.885 357 T HA 0.249 nan 4.350 nan 0.000 0.322 357 T C -1.829 173.019 174.700 0.248 0.000 1.387 357 T CA -0.543 61.612 62.100 0.093 0.000 1.041 357 T CB 2.556 71.433 68.868 0.015 0.000 1.287 357 T HN -0.610 7.641 8.240 0.143 0.074 0.491 358 K N 5.297 125.821 120.400 0.208 0.000 2.180 358 K HA 0.056 nan 4.320 nan 0.000 0.251 358 K C -0.188 176.538 176.600 0.210 0.000 1.014 358 K CA 0.226 56.663 56.287 0.251 0.000 0.913 358 K CB 0.469 33.048 32.500 0.132 0.000 1.008 358 K HN 0.168 8.812 8.250 0.142 -0.309 0.490 359 E N -2.107 118.230 120.200 0.228 0.000 2.110 359 E HA -0.214 nan 4.350 nan 0.000 0.193 359 E C -0.326 176.329 176.600 0.091 0.000 0.988 359 E CA 2.501 58.996 56.400 0.157 0.000 0.804 359 E CB 0.314 30.094 29.700 0.133 0.000 0.745 359 E HN 0.185 8.719 8.360 0.291 0.000 0.458 360 V N -7.696 112.266 119.914 0.081 0.000 2.841 360 V HA 0.557 nan 4.120 nan 0.000 0.310 360 V C -1.949 174.174 176.094 0.047 0.000 1.090 360 V CA -2.276 60.055 62.300 0.052 0.000 0.930 360 V CB 2.538 34.381 31.823 0.034 0.000 1.014 360 V HN -0.773 7.473 8.190 0.096 0.001 0.425 361 E N 6.555 126.776 120.200 0.034 0.000 2.292 361 E HA 0.426 nan 4.350 nan 0.000 0.272 361 E C -0.737 175.869 176.600 0.010 0.000 0.881 361 E CA -1.380 55.032 56.400 0.020 0.000 0.754 361 E CB 3.356 33.063 29.700 0.012 0.000 1.201 361 E HN 0.410 8.791 8.360 0.035 0.000 0.425 362 R N 1.733 122.235 120.500 0.003 0.000 3.525 362 R HA -0.329 nan 4.340 nan 0.000 0.276 362 R C -0.184 176.124 176.300 0.013 0.000 1.116 362 R CA 0.759 56.860 56.100 0.002 0.000 0.745 362 R CB -1.891 28.403 30.300 -0.010 0.000 1.185 362 R HN 0.993 9.264 8.270 0.002 0.000 0.454 363 G N -4.897 103.912 108.800 0.015 0.000 2.267 363 G HA2 -0.443 nan 3.960 nan 0.000 0.257 363 G HA3 -0.443 nan 3.960 nan 0.000 0.257 363 G C -0.800 174.110 174.900 0.017 0.000 0.998 363 G CA -0.130 44.980 45.100 0.015 0.000 0.620 363 G HN 0.159 8.429 8.290 0.015 0.029 0.529 364 K N 1.607 122.021 120.400 0.023 0.000 2.118 364 K HA 0.198 nan 4.320 nan 0.000 0.267 364 K C -1.225 175.392 176.600 0.028 0.000 0.991 364 K CA -0.911 55.392 56.287 0.028 0.000 0.916 364 K CB 1.596 34.125 32.500 0.048 0.000 1.041 364 K HN -0.407 7.763 8.250 0.024 0.094 0.455 365 S N 0.835 116.545 115.700 0.016 0.000 2.474 365 S HA 0.097 nan 4.470 nan 0.000 0.276 365 S C 0.795 175.410 174.600 0.024 0.000 1.227 365 S CA -0.171 58.036 58.200 0.012 0.000 1.050 365 S CB 0.107 63.299 63.200 -0.014 0.000 0.939 365 S HN 0.453 8.767 8.310 0.007 0.000 0.490 366 K N 7.855 128.281 120.400 0.044 0.000 2.308 366 K HA 0.201 nan 4.320 nan 0.000 0.197 366 K C -1.286 175.346 176.600 0.054 0.000 1.049 366 K CA -0.553 55.773 56.287 0.064 0.000 0.991 366 K CB 0.847 33.388 32.500 0.070 0.000 0.836 366 K HN 0.668 8.837 8.250 0.048 0.110 0.500 367 C N -2.808 116.521 119.300 0.048 0.000 3.146 367 C HA 0.272 nan 4.460 nan 0.000 0.405 367 C C -0.935 174.067 174.990 0.019 0.000 1.012 367 C CA -0.490 58.552 59.018 0.040 0.000 1.217 367 C CB 2.333 30.163 27.740 0.150 0.000 1.599 367 C HN -0.612 7.647 8.230 0.048 0.000 0.567 368 V N 2.518 122.411 119.914 -0.034 0.000 2.775 368 V HA 0.259 nan 4.120 nan 0.000 0.299 368 V C -1.273 174.741 176.094 -0.134 0.000 1.062 368 V CA -1.481 60.774 62.300 -0.075 0.000 1.063 368 V CB 1.008 32.784 31.823 -0.078 0.000 0.994 368 V HN 0.610 8.762 8.190 -0.064 0.000 0.483 369 K N 6.242 126.437 120.400 -0.341 0.000 2.366 369 K HA -0.203 nan 4.320 nan 0.000 0.279 369 K C 0.107 176.346 176.600 -0.601 0.000 1.098 369 K CA 1.019 56.772 56.287 -0.891 0.000 1.087 369 K CB -0.193 31.797 32.500 -0.850 0.000 0.901 369 K HN 0.466 8.561 8.250 -0.258 0.000 0.463 370 Y N 1.817 121.806 120.300 -0.519 0.000 2.524 370 Y HA 0.159 nan 4.550 nan 0.000 0.266 370 Y C -2.120 173.888 175.900 0.181 0.000 1.180 370 Y CA -2.311 55.690 58.100 -0.164 0.000 1.244 370 Y CB -0.205 38.087 38.460 -0.281 0.000 1.125 370 Y HN -0.324 7.470 8.280 -0.810 0.000 0.524 371 W N -2.534 118.758 121.300 -0.014 0.000 2.781 371 W HA 0.640 nan 4.660 nan 0.000 0.345 371 W C -2.797 173.816 176.519 0.156 0.000 1.085 371 W CA -3.622 53.801 57.345 0.130 0.000 1.198 371 W CB 0.067 29.504 29.460 -0.038 0.000 1.423 371 W HN -0.494 6.980 8.180 -1.058 0.071 0.532 372 P HA -0.091 nan 4.420 nan 0.000 0.272 372 P C -1.641 175.739 177.300 0.135 0.000 1.230 372 P CA -0.475 62.697 63.100 0.120 0.000 0.788 372 P CB 0.649 32.403 31.700 0.090 0.000 0.949 373 D N -0.114 120.319 120.400 0.055 0.000 2.378 373 D HA -0.125 nan 4.640 nan 0.000 0.238 373 D C 0.337 176.660 176.300 0.039 0.000 1.180 373 D CA 0.116 54.158 54.000 0.070 0.000 0.895 373 D CB 0.505 41.328 40.800 0.039 0.000 1.192 373 D HN 0.014 8.390 8.370 0.011 0.000 0.438 374 E N 1.645 121.825 120.200 -0.034 0.000 2.558 374 E HA -0.438 nan 4.350 nan 0.000 0.255 374 E C -0.190 176.264 176.600 -0.244 0.000 0.968 374 E CA 2.059 58.287 56.400 -0.287 0.000 0.939 374 E CB 0.054 29.474 29.700 -0.467 0.000 0.921 374 E HN 0.299 8.663 8.360 0.005 0.000 0.477 375 Y N -1.274 119.042 120.300 0.026 0.000 4.884 375 Y HA -0.569 nan 4.550 nan 0.000 0.276 375 Y C -1.274 174.626 175.900 0.001 0.000 0.915 375 Y CA 0.988 59.093 58.100 0.009 0.000 1.768 375 Y CB -2.689 35.775 38.460 0.007 0.000 1.172 375 Y HN 0.771 8.761 8.280 -0.318 0.099 0.470 376 A N -1.853 121.031 122.820 0.106 0.000 2.304 376 A HA 0.181 nan 4.320 nan 0.000 0.271 376 A C -2.171 175.422 177.584 0.016 0.000 1.091 376 A CA -0.463 51.606 52.037 0.053 0.000 0.812 376 A CB 1.295 20.313 19.000 0.030 0.000 1.056 376 A HN -0.251 7.847 8.150 0.068 0.093 0.489 377 L N -1.517 119.695 121.223 -0.019 0.000 2.362 377 L HA 0.667 nan 4.340 nan 0.000 0.275 377 L C -1.203 175.599 176.870 -0.114 0.000 0.998 377 L CA -0.538 54.269 54.840 -0.055 0.000 0.820 377 L CB 2.740 44.770 42.059 -0.049 0.000 1.270 377 L HN 0.027 8.246 8.230 -0.019 0.000 0.415 378 K N 5.526 125.817 120.400 -0.181 0.000 2.426 378 K HA 0.402 nan 4.320 nan 0.000 0.251 378 K C -1.831 174.515 176.600 -0.424 0.000 0.941 378 K CA -1.445 54.625 56.287 -0.361 0.000 0.808 378 K CB 4.102 36.254 32.500 -0.580 0.000 1.265 378 K HN 0.695 8.858 8.250 -0.145 0.000 0.432 379 E N 1.299 121.246 120.200 -0.421 0.000 2.156 379 E HA 0.394 nan 4.350 nan 0.000 0.279 379 E C -0.565 175.798 176.600 -0.394 0.000 0.965 379 E CA -0.660 55.551 56.400 -0.314 0.000 0.789 379 E CB 1.602 31.198 29.700 -0.174 0.000 1.098 379 E HN 0.379 8.519 8.360 -0.366 0.000 0.397 380 Y N 5.906 126.164 120.300 -0.069 0.000 2.854 380 Y HA 0.040 nan 4.550 nan 0.000 0.330 380 Y C -0.118 175.797 175.900 0.025 0.000 1.037 380 Y CA -1.411 56.697 58.100 0.012 0.000 1.263 380 Y CB -0.843 37.670 38.460 0.088 0.000 1.120 380 Y HN 0.873 9.063 8.280 0.003 0.092 0.532 381 G N 4.099 112.966 108.800 0.111 0.000 2.561 381 G HA2 -0.532 nan 3.960 nan 0.000 0.289 381 G HA3 -0.532 nan 3.960 nan 0.000 0.289 381 G C -0.015 174.893 174.900 0.013 0.000 1.169 381 G CA 1.274 46.410 45.100 0.061 0.000 0.980 381 G HN 0.001 8.288 8.290 0.072 0.046 0.550 382 V N -3.301 116.611 119.914 -0.002 0.000 3.573 382 V HA 0.262 nan 4.120 nan 0.000 0.270 382 V C -0.274 175.764 176.094 -0.093 0.000 1.221 382 V CA 0.276 62.544 62.300 -0.054 0.000 1.163 382 V CB -0.262 31.517 31.823 -0.073 0.000 0.847 382 V HN 0.103 8.302 8.190 0.015 0.000 0.468 383 M N 0.630 120.205 119.600 -0.043 0.000 2.363 383 M HA 0.597 nan 4.480 nan 0.000 0.343 383 M C -1.703 174.560 176.300 -0.061 0.000 1.165 383 M CA -1.751 53.510 55.300 -0.066 0.000 1.046 383 M CB 1.735 34.358 32.600 0.037 0.000 1.648 383 M HN -0.485 7.733 8.290 0.022 0.086 0.452 384 R N 2.711 123.148 120.500 -0.104 0.000 2.480 384 R HA 0.775 nan 4.340 nan 0.000 0.306 384 R C -2.679 173.529 176.300 -0.153 0.000 0.958 384 R CA -1.301 54.727 56.100 -0.119 0.000 0.861 384 R CB 3.080 33.322 30.300 -0.096 0.000 1.171 384 R HN 0.821 9.025 8.270 -0.110 0.000 0.445 385 V N 4.901 124.709 119.914 -0.177 0.000 2.709 385 V HA 0.865 nan 4.120 nan 0.000 0.308 385 V C -2.983 173.051 176.094 -0.102 0.000 1.062 385 V CA -2.944 59.234 62.300 -0.203 0.000 0.901 385 V CB 4.321 35.848 31.823 -0.494 0.000 1.003 385 V HN 0.909 9.005 8.190 -0.158 0.000 0.425 386 R N 6.133 126.586 120.500 -0.077 0.000 2.445 386 R HA 0.622 nan 4.340 nan 0.000 0.308 386 R C -1.707 174.576 176.300 -0.029 0.000 0.961 386 R CA -1.938 54.140 56.100 -0.037 0.000 0.862 386 R CB 2.655 32.940 30.300 -0.026 0.000 1.144 386 R HN 0.514 8.731 8.270 -0.089 0.000 0.447 387 N N 4.821 123.521 118.700 -0.000 0.000 2.448 387 N HA 0.076 nan 4.740 nan 0.000 0.250 387 N C 0.743 176.207 175.510 -0.077 0.000 1.136 387 N CA -0.462 52.575 53.050 -0.022 0.000 0.953 387 N CB 0.007 38.507 38.487 0.022 0.000 1.251 387 N HN -0.045 8.345 8.380 0.015 0.000 0.502 388 V N 6.850 126.711 119.914 -0.088 0.000 2.307 388 V HA -0.192 nan 4.120 nan 0.000 0.245 388 V C -0.013 176.029 176.094 -0.087 0.000 1.045 388 V CA 2.991 65.257 62.300 -0.056 0.000 1.024 388 V CB 0.288 32.061 31.823 -0.084 0.000 0.651 388 V HN 0.659 8.784 8.190 -0.107 0.000 0.449 389 K N -4.102 116.208 120.400 -0.151 0.000 2.572 389 K HA 0.229 nan 4.320 nan 0.000 0.263 389 K C -3.083 173.434 176.600 -0.138 0.000 0.932 389 K CA -0.640 55.553 56.287 -0.157 0.000 0.838 389 K CB 3.828 36.319 32.500 -0.014 0.000 1.366 389 K HN -0.760 7.472 8.250 -0.153 -0.074 0.425 390 E N 4.555 124.663 120.200 -0.154 0.000 2.183 390 E HA 0.618 nan 4.350 nan 0.000 0.271 390 E C -0.859 175.713 176.600 -0.046 0.000 0.919 390 E CA -1.221 55.122 56.400 -0.093 0.000 0.781 390 E CB 2.611 32.248 29.700 -0.104 0.000 1.140 390 E HN 0.051 8.603 8.360 -0.214 -0.320 0.402 391 S N 5.859 121.544 115.700 -0.025 0.000 2.566 391 S HA 0.244 nan 4.470 nan 0.000 0.324 391 S C -1.780 172.772 174.600 -0.081 0.000 1.081 391 S CA -0.662 57.526 58.200 -0.021 0.000 1.105 391 S CB 1.451 64.667 63.200 0.026 0.000 0.981 391 S HN 0.917 9.104 8.310 -0.021 0.111 0.464 392 A N 6.484 129.245 122.820 -0.099 0.000 2.320 392 A HA 0.618 nan 4.320 nan 0.000 0.287 392 A C -1.270 176.181 177.584 -0.222 0.000 1.181 392 A CA -0.501 51.439 52.037 -0.162 0.000 0.831 392 A CB 0.515 19.447 19.000 -0.114 0.000 1.102 392 A HN 0.465 8.575 8.150 -0.066 0.000 0.513 393 A N 3.799 126.375 122.820 -0.406 0.000 2.468 393 A HA 0.407 nan 4.320 nan 0.000 0.277 393 A C -1.108 176.313 177.584 -0.272 0.000 1.203 393 A CA -1.140 50.662 52.037 -0.391 0.000 0.932 393 A CB 1.436 19.981 19.000 -0.758 0.000 1.438 393 A HN 0.579 8.419 8.150 -0.518 0.000 0.468 394 H N -0.998 117.940 119.070 -0.220 0.000 2.333 394 H HA -0.148 nan 4.556 nan 0.000 0.302 394 H C 1.681 176.881 175.328 -0.213 0.000 1.075 394 H CA 3.472 59.421 56.048 -0.165 0.000 1.348 394 H CB 0.157 29.860 29.762 -0.097 0.000 1.393 394 H HN 0.453 8.713 8.280 -0.033 0.000 0.509 395 D N -4.097 116.083 120.400 -0.367 0.000 2.346 395 D HA 0.020 nan 4.640 nan 0.000 0.206 395 D C -1.433 174.508 176.300 -0.598 0.000 1.001 395 D CA 1.465 55.132 54.000 -0.554 0.000 0.871 395 D CB 0.519 41.097 40.800 -0.369 0.000 0.943 395 D HN 0.462 8.748 8.370 -0.139 0.000 0.518 396 Y N -7.898 112.159 120.300 -0.406 0.000 2.670 396 Y HA 0.685 nan 4.550 nan 0.000 0.334 396 Y C -2.672 173.150 175.900 -0.130 0.000 1.185 396 Y CA -2.638 55.293 58.100 -0.282 0.000 1.053 396 Y CB 2.034 40.486 38.460 -0.015 0.000 1.298 396 Y HN -0.940 7.046 8.280 -0.416 0.045 0.459 397 T N 1.463 116.049 114.554 0.054 0.000 2.824 397 T HA 0.581 nan 4.350 nan 0.000 0.282 397 T C -2.383 172.410 174.700 0.155 0.000 0.993 397 T CA -0.195 61.894 62.100 -0.017 0.000 0.967 397 T CB 1.914 70.713 68.868 -0.114 0.000 0.960 397 T HN 0.592 8.786 8.240 0.101 0.106 0.441 398 L N 6.104 127.386 121.223 0.098 0.000 2.275 398 L HA 0.664 nan 4.340 nan 0.000 0.288 398 L C -2.201 174.639 176.870 -0.049 0.000 1.046 398 L CA -1.432 53.408 54.840 0.000 0.000 0.805 398 L CB 2.250 44.311 42.059 0.002 0.000 1.193 398 L HN 0.836 9.082 8.230 0.026 0.000 0.426 399 R N 6.581 127.024 120.500 -0.094 0.000 2.360 399 R HA 0.479 nan 4.340 nan 0.000 0.318 399 R C -1.970 174.262 176.300 -0.113 0.000 0.950 399 R CA -1.588 54.446 56.100 -0.109 0.000 0.837 399 R CB 1.808 31.995 30.300 -0.187 0.000 1.165 399 R HN 0.957 9.156 8.270 -0.119 0.000 0.458 400 E N 6.736 126.834 120.200 -0.171 0.000 2.070 400 E HA 0.273 nan 4.350 nan 0.000 0.282 400 E C -1.736 174.666 176.600 -0.331 0.000 1.104 400 E CA -0.421 55.713 56.400 -0.444 0.000 0.876 400 E CB 0.837 30.240 29.700 -0.496 0.000 1.055 400 E HN 0.554 8.841 8.360 -0.122 0.000 0.401 401 L N 6.579 127.621 121.223 -0.302 0.000 2.317 401 L HA 0.585 nan 4.340 nan 0.000 0.281 401 L C -1.179 175.590 176.870 -0.167 0.000 1.024 401 L CA -1.369 53.389 54.840 -0.136 0.000 0.810 401 L CB 1.932 44.020 42.059 0.049 0.000 1.240 401 L HN 0.743 8.741 8.230 -0.387 0.000 0.427 402 K N 2.828 123.154 120.400 -0.123 0.000 2.293 402 K HA 0.641 nan 4.320 nan 0.000 0.267 402 K C -1.743 174.817 176.600 -0.066 0.000 1.010 402 K CA -0.813 55.420 56.287 -0.090 0.000 0.875 402 K CB 1.495 33.951 32.500 -0.074 0.000 1.106 402 K HN 0.598 8.785 8.250 -0.106 0.000 0.450 403 L N 6.971 128.188 121.223 -0.011 0.000 2.313 403 L HA 0.736 nan 4.340 nan 0.000 0.283 403 L C -2.495 174.453 176.870 0.130 0.000 1.013 403 L CA -1.502 53.352 54.840 0.024 0.000 0.816 403 L CB 2.721 44.862 42.059 0.137 0.000 1.236 403 L HN 0.835 9.073 8.230 0.012 0.000 0.419 404 S N 4.177 119.929 115.700 0.087 0.000 2.627 404 S HA 0.610 nan 4.470 nan 0.000 0.283 404 S C -2.070 172.504 174.600 -0.044 0.000 1.127 404 S CA -1.500 56.773 58.200 0.122 0.000 0.863 404 S CB 3.165 66.400 63.200 0.058 0.000 1.121 404 S HN 0.910 9.219 8.310 -0.001 0.000 0.479 405 K N 1.898 122.220 120.400 -0.130 0.000 2.312 405 K HA 0.265 nan 4.320 nan 0.000 0.287 405 K C 0.129 176.654 176.600 -0.126 0.000 1.062 405 K CA -0.536 55.577 56.287 -0.290 0.000 0.934 405 K CB 0.786 33.057 32.500 -0.382 0.000 1.027 405 K HN 0.077 8.355 8.250 0.047 0.000 0.478 406 V N 7.402 127.245 119.914 -0.118 0.000 2.625 406 V HA -0.282 nan 4.120 nan 0.000 0.305 406 V C 0.773 176.832 176.094 -0.058 0.000 1.055 406 V CA 2.590 64.844 62.300 -0.076 0.000 1.209 406 V CB -0.716 31.063 31.823 -0.072 0.000 0.877 406 V HN 0.588 8.691 8.190 -0.145 0.000 0.489 407 G N 6.797 115.574 108.800 -0.038 0.000 2.217 407 G HA2 -0.378 nan 3.960 nan 0.000 0.246 407 G HA3 -0.378 nan 3.960 nan 0.000 0.246 407 G C -0.511 174.381 174.900 -0.013 0.000 0.990 407 G CA 0.140 45.225 45.100 -0.025 0.000 0.627 407 G HN 0.397 8.665 8.290 -0.036 0.000 0.522 408 Q N 1.728 121.522 119.800 -0.010 0.000 2.558 408 Q HA 0.207 nan 4.340 nan 0.000 0.252 408 Q C -0.954 175.063 176.000 0.028 0.000 1.015 408 Q CA -1.880 53.931 55.803 0.014 0.000 0.720 408 Q CB 1.251 30.004 28.738 0.025 0.000 1.215 408 Q HN -0.233 7.934 8.270 -0.024 0.088 0.500 409 G N 1.956 110.770 108.800 0.023 0.000 2.527 409 G HA2 -0.137 nan 3.960 nan 0.000 0.248 409 G HA3 -0.137 nan 3.960 nan 0.000 0.248 409 G C -0.662 174.262 174.900 0.041 0.000 1.231 409 G CA -0.387 44.730 45.100 0.028 0.000 0.838 409 G HN 0.370 8.669 8.290 0.016 0.000 0.570 410 N N -1.443 117.285 118.700 0.047 0.000 2.882 410 N HA -0.265 nan 4.740 nan 0.000 0.249 410 N C -0.067 175.487 175.510 0.074 0.000 1.079 410 N CA 0.948 54.028 53.050 0.050 0.000 0.800 410 N CB -1.774 36.736 38.487 0.038 0.000 1.124 410 N HN 0.316 8.721 8.380 0.042 0.000 0.557 411 T N -5.753 108.869 114.554 0.114 0.000 3.054 411 T HA 0.091 nan 4.350 nan 0.000 0.255 411 T C -0.459 174.362 174.700 0.201 0.000 1.035 411 T CA -0.225 61.992 62.100 0.196 0.000 0.941 411 T CB 1.166 70.251 68.868 0.360 0.000 1.026 411 T HN -0.282 7.953 8.240 0.103 0.068 0.533 412 E N 2.609 122.884 120.200 0.124 0.000 2.384 412 E HA -0.002 nan 4.350 nan 0.000 0.266 412 E C -0.664 175.973 176.600 0.061 0.000 1.012 412 E CA 0.978 57.435 56.400 0.096 0.000 0.901 412 E CB 0.561 30.294 29.700 0.053 0.000 0.967 412 E HN -0.351 7.986 8.360 0.094 0.080 0.435 413 R N 4.292 124.826 120.500 0.056 0.000 2.707 413 R HA 0.293 nan 4.340 nan 0.000 0.272 413 R C -1.629 174.676 176.300 0.009 0.000 1.011 413 R CA -1.844 54.274 56.100 0.029 0.000 0.893 413 R CB 1.953 32.259 30.300 0.010 0.000 1.233 413 R HN 0.592 8.914 8.270 0.086 0.000 0.464 414 T N 2.799 117.341 114.554 -0.019 0.000 2.832 414 T HA 0.365 nan 4.350 nan 0.000 0.296 414 T C -1.228 173.396 174.700 -0.127 0.000 0.968 414 T CA 0.547 62.550 62.100 -0.162 0.000 1.107 414 T CB 0.164 68.864 68.868 -0.281 0.000 0.916 414 T HN 0.028 8.279 8.240 0.019 0.000 0.517 415 V N 5.513 125.330 119.914 -0.160 0.000 2.448 415 V HA 0.508 nan 4.120 nan 0.000 0.295 415 V C -1.571 174.470 176.094 -0.089 0.000 1.025 415 V CA -1.118 61.198 62.300 0.026 0.000 0.859 415 V CB 2.304 34.276 31.823 0.249 0.000 0.988 415 V HN 1.006 8.968 8.190 -0.187 0.115 0.431 416 W N 6.548 127.922 121.300 0.124 0.000 2.283 416 W HA 0.322 nan 4.660 nan 0.000 0.317 416 W C -1.391 175.162 176.519 0.057 0.000 1.042 416 W CA -1.753 55.619 57.345 0.045 0.000 1.348 416 W CB 0.584 30.083 29.460 0.064 0.000 1.216 416 W HN 0.849 9.206 8.180 0.471 0.106 0.404 417 Q N 4.722 124.611 119.800 0.148 0.000 2.349 417 Q HA 0.377 nan 4.340 nan 0.000 0.254 417 Q C -1.023 175.003 176.000 0.043 0.000 0.980 417 Q CA -0.939 54.939 55.803 0.126 0.000 0.924 417 Q CB 2.025 30.776 28.738 0.022 0.000 1.209 417 Q HN 0.687 8.995 8.270 0.064 0.000 0.445 418 Y N 8.177 128.586 120.300 0.182 0.000 2.535 418 Y HA 0.133 nan 4.550 nan 0.000 0.349 418 Y C -1.615 174.484 175.900 0.333 0.000 0.992 418 Y CA -0.612 57.651 58.100 0.272 0.000 1.248 418 Y CB -0.210 38.331 38.460 0.134 0.000 1.124 418 Y HN 1.004 9.564 8.280 0.467 0.000 0.520 419 H N 6.666 125.878 119.070 0.237 0.000 2.787 419 H HA 0.230 nan 4.556 nan 0.000 0.275 419 H C -1.242 174.162 175.328 0.125 0.000 1.183 419 H CA -3.024 53.068 56.048 0.075 0.000 1.290 419 H CB 1.463 31.124 29.762 -0.167 0.000 1.438 419 H HN 0.809 9.317 8.280 0.379 0.000 0.487 420 F N 8.796 128.796 119.950 0.083 0.000 2.506 420 F HA -0.104 nan 4.527 nan 0.000 0.371 420 F C -2.022 173.720 175.800 -0.097 0.000 1.078 420 F CA 0.880 58.742 58.000 -0.229 0.000 1.195 420 F CB 0.691 39.356 39.000 -0.557 0.000 1.099 420 F HN 0.502 9.041 8.300 0.399 0.000 0.548 421 R N 4.064 124.249 120.500 -0.525 0.000 2.279 421 R HA 0.093 nan 4.340 nan 0.000 0.195 421 R C 0.954 177.091 176.300 -0.272 0.000 0.905 421 R CA 1.031 56.906 56.100 -0.376 0.000 1.044 421 R CB 1.318 31.338 30.300 -0.466 0.000 1.056 421 R HN 0.647 8.287 8.270 -0.876 0.105 0.535 422 T N -4.587 109.672 114.554 -0.492 0.000 3.186 422 T HA 0.066 nan 4.350 nan 0.000 0.257 422 T C -0.457 174.304 174.700 0.101 0.000 1.029 422 T CA -1.706 60.242 62.100 -0.252 0.000 0.916 422 T CB -0.405 68.221 68.868 -0.404 0.000 1.041 422 T HN -0.785 6.809 8.240 -1.076 0.000 0.562 423 W N 3.069 124.474 121.300 0.176 0.000 2.322 423 W HA 0.023 nan 4.660 nan 0.000 0.328 423 W C -1.104 175.455 176.519 0.066 0.000 1.395 423 W CA -2.797 54.663 57.345 0.192 0.000 1.267 423 W CB -0.273 29.287 29.460 0.167 0.000 1.259 423 W HN -0.413 8.009 8.180 0.497 0.057 0.560 424 P HA -0.000 nan 4.420 nan 0.000 0.272 424 P C -1.418 176.021 177.300 0.231 0.000 1.240 424 P CA -0.316 62.909 63.100 0.210 0.000 0.791 424 P CB 0.589 32.368 31.700 0.132 0.000 0.978 425 D N -3.312 117.131 120.400 0.071 0.000 2.149 425 D HA -0.148 nan 4.640 nan 0.000 0.201 425 D C 0.363 176.544 176.300 -0.197 0.000 0.972 425 D CA 1.798 55.733 54.000 -0.110 0.000 0.835 425 D CB 0.186 40.823 40.800 -0.272 0.000 0.966 425 D HN 0.225 8.637 8.370 0.070 0.000 0.476 426 H N -0.287 118.835 119.070 0.086 0.000 2.488 426 H HA 0.094 nan 4.556 nan 0.000 0.322 426 H C 0.232 175.615 175.328 0.092 0.000 1.078 426 H CA -0.603 55.486 56.048 0.068 0.000 1.260 426 H CB 0.591 30.377 29.762 0.039 0.000 1.425 426 H HN -0.457 7.891 8.280 0.112 0.000 0.471 427 G N 2.962 111.885 108.800 0.205 0.000 2.528 427 G HA2 -0.350 nan 3.960 nan 0.000 0.262 427 G HA3 -0.350 nan 3.960 nan 0.000 0.262 427 G C -2.080 172.958 174.900 0.230 0.000 1.200 427 G CA 0.000 45.196 45.100 0.160 0.000 0.951 427 G HN 0.316 8.706 8.290 0.168 0.000 0.566 428 V N -4.495 115.455 119.914 0.061 0.000 3.074 428 V HA 0.586 nan 4.120 nan 0.000 0.314 428 V C -2.044 173.858 176.094 -0.321 0.000 1.117 428 V CA -3.721 58.483 62.300 -0.159 0.000 1.014 428 V CB 1.067 32.803 31.823 -0.145 0.000 1.057 428 V HN -0.010 8.190 8.190 0.017 0.000 0.438 429 P HA -0.059 nan 4.420 nan 0.000 0.263 429 P C -0.939 176.229 177.300 -0.219 0.000 1.175 429 P CA 0.912 63.793 63.100 -0.365 0.000 0.761 429 P CB 0.329 31.763 31.700 -0.443 0.000 0.794 430 S N 0.445 116.065 115.700 -0.133 0.000 2.539 430 S HA 0.042 nan 4.470 nan 0.000 0.221 430 S C -0.316 174.229 174.600 -0.092 0.000 0.987 430 S CA 0.304 58.445 58.200 -0.099 0.000 0.929 430 S CB 0.273 63.436 63.200 -0.062 0.000 0.832 430 S HN -0.032 8.213 8.310 -0.108 0.000 0.492 431 D N 2.570 122.910 120.400 -0.100 0.000 2.454 431 D HA 0.386 nan 4.640 nan 0.000 0.247 431 D C -1.451 174.752 176.300 -0.162 0.000 1.129 431 D CA -2.881 51.054 54.000 -0.107 0.000 0.877 431 D CB 1.328 42.097 40.800 -0.051 0.000 1.082 431 D HN -0.388 7.866 8.370 -0.102 0.055 0.537 432 P HA -0.004 nan 4.420 nan 0.000 0.226 432 P C 1.119 178.205 177.300 -0.357 0.000 1.153 432 P CA 0.730 63.609 63.100 -0.368 0.000 0.777 432 P CB 0.259 31.634 31.700 -0.542 0.000 0.794 433 G N -1.202 107.390 108.800 -0.346 0.000 2.480 433 G HA2 -0.311 nan 3.960 nan 0.000 0.216 433 G HA3 -0.311 nan 3.960 nan 0.000 0.216 433 G C 1.156 176.096 174.900 0.067 0.000 1.200 433 G CA 1.798 46.856 45.100 -0.070 0.000 0.782 433 G HN -0.459 7.570 8.290 -0.363 0.044 0.554 434 G N 0.378 109.226 108.800 0.081 0.000 2.403 434 G HA2 -0.220 nan 3.960 nan 0.000 0.216 434 G HA3 -0.220 nan 3.960 nan 0.000 0.216 434 G C 1.297 176.354 174.900 0.262 0.000 1.154 434 G CA 1.590 46.804 45.100 0.190 0.000 0.784 434 G HN -0.382 8.218 8.290 0.033 -0.290 0.538 435 V N 3.479 123.487 119.914 0.156 0.000 2.343 435 V HA -0.401 nan 4.120 nan 0.000 0.247 435 V C 1.955 178.146 176.094 0.161 0.000 1.051 435 V CA 3.863 66.228 62.300 0.108 0.000 1.036 435 V CB -0.555 31.224 31.823 -0.072 0.000 0.654 435 V HN -0.691 7.543 8.190 0.073 0.000 0.451 436 L N -1.834 119.464 121.223 0.126 0.000 2.240 436 L HA -0.383 nan 4.340 nan 0.000 0.211 436 L C 1.985 178.962 176.870 0.180 0.000 1.106 436 L CA 3.090 58.017 54.840 0.145 0.000 0.793 436 L CB -0.500 41.686 42.059 0.212 0.000 0.927 436 L HN 0.026 8.306 8.230 0.085 0.000 0.446 437 D N 0.905 121.434 120.400 0.215 0.000 2.084 437 D HA -0.333 nan 4.640 nan 0.000 0.194 437 D C 2.104 178.545 176.300 0.235 0.000 0.990 437 D CA 4.533 58.671 54.000 0.231 0.000 0.826 437 D CB -0.182 40.774 40.800 0.260 0.000 0.971 437 D HN 0.084 8.578 8.370 0.208 0.000 0.453 438 F N 0.824 120.847 119.950 0.122 0.000 2.069 438 F HA -0.356 nan 4.527 nan 0.000 0.298 438 F C 1.274 177.038 175.800 -0.060 0.000 1.113 438 F CA 3.380 61.370 58.000 -0.017 0.000 1.214 438 F CB 0.264 39.330 39.000 0.110 0.000 0.978 438 F HN -0.187 8.384 8.300 0.452 0.000 0.474 439 L N -1.439 119.809 121.223 0.042 0.000 2.042 439 L HA -0.539 nan 4.340 nan 0.000 0.210 439 L C 1.631 178.411 176.870 -0.148 0.000 1.076 439 L CA 3.728 58.524 54.840 -0.075 0.000 0.749 439 L CB -0.260 41.774 42.059 -0.043 0.000 0.893 439 L HN 0.089 8.478 8.230 0.264 0.000 0.432 440 E N -1.206 118.965 120.200 -0.048 0.000 2.077 440 E HA -0.394 nan 4.350 nan 0.000 0.193 440 E C 2.591 179.229 176.600 0.065 0.000 0.989 440 E CA 2.888 59.303 56.400 0.025 0.000 0.800 440 E CB -0.457 29.345 29.700 0.169 0.000 0.746 440 E HN -0.051 8.320 8.360 0.020 0.000 0.452 441 E N -0.146 120.033 120.200 -0.036 0.000 2.051 441 E HA -0.257 nan 4.350 nan 0.000 0.192 441 E C 2.409 178.776 176.600 -0.389 0.000 0.991 441 E CA 2.682 59.020 56.400 -0.104 0.000 0.799 441 E CB -0.296 29.346 29.700 -0.097 0.000 0.748 441 E HN -0.345 7.986 8.360 -0.049 0.000 0.449 442 V N -0.230 119.222 119.914 -0.769 0.000 2.332 442 V HA -0.430 nan 4.120 nan 0.000 0.248 442 V C 1.802 177.638 176.094 -0.429 0.000 1.055 442 V CA 4.891 66.637 62.300 -0.924 0.000 1.038 442 V CB -0.905 30.352 31.823 -0.944 0.000 0.651 442 V HN 0.012 7.703 8.190 -0.832 0.000 0.450 443 H N -0.148 118.704 119.070 -0.364 0.000 2.321 443 H HA -0.390 nan 4.556 nan 0.000 0.300 443 H C 1.926 177.071 175.328 -0.305 0.000 1.087 443 H CA 4.371 60.225 56.048 -0.324 0.000 1.319 443 H CB 0.086 29.607 29.762 -0.402 0.000 1.379 443 H HN 0.086 8.233 8.280 -0.222 0.000 0.501 444 H N -0.679 118.246 119.070 -0.240 0.000 2.428 444 H HA -0.232 nan 4.556 nan 0.000 0.296 444 H C 2.125 177.305 175.328 -0.246 0.000 1.062 444 H CA 3.247 59.162 56.048 -0.221 0.000 1.350 444 H CB 0.197 29.916 29.762 -0.072 0.000 1.403 444 H HN -0.301 7.790 8.280 -0.160 0.093 0.533 445 K N -0.065 120.244 120.400 -0.151 0.000 2.009 445 K HA -0.379 nan 4.320 nan 0.000 0.210 445 K C 2.556 179.034 176.600 -0.202 0.000 1.049 445 K CA 2.677 58.835 56.287 -0.215 0.000 0.929 445 K CB -0.387 31.997 32.500 -0.192 0.000 0.714 445 K HN -0.009 8.143 8.250 -0.163 0.000 0.440 446 Q N -0.860 118.810 119.800 -0.217 0.000 2.096 446 Q HA -0.286 nan 4.340 nan 0.000 0.204 446 Q C 2.672 178.551 176.000 -0.201 0.000 0.982 446 Q CA 2.979 58.671 55.803 -0.185 0.000 0.850 446 Q CB -0.302 28.307 28.738 -0.216 0.000 0.901 446 Q HN -0.297 7.822 8.270 -0.252 0.000 0.422 447 E N -1.831 118.186 120.200 -0.304 0.000 2.150 447 E HA -0.222 nan 4.350 nan 0.000 0.193 447 E C 1.139 177.668 176.600 -0.118 0.000 0.985 447 E CA 2.155 58.413 56.400 -0.238 0.000 0.814 447 E CB 0.016 29.520 29.700 -0.327 0.000 0.752 447 E HN -0.269 7.831 8.360 -0.433 0.000 0.466 448 S N -3.372 112.266 115.700 -0.103 0.000 2.522 448 S HA -0.104 nan 4.470 nan 0.000 0.227 448 S C 0.410 174.987 174.600 -0.038 0.000 0.986 448 S CA 1.680 59.843 58.200 -0.061 0.000 0.929 448 S CB 0.549 63.708 63.200 -0.070 0.000 0.769 448 S HN -0.493 7.711 8.310 -0.136 0.024 0.529 449 I N 4.539 125.086 120.570 -0.038 0.000 2.307 449 I HA 0.057 nan 4.170 nan 0.000 0.289 449 I C -1.337 174.777 176.117 -0.006 0.000 1.021 449 I CA -0.975 60.327 61.300 0.004 0.000 1.224 449 I CB 0.506 38.531 38.000 0.040 0.000 1.376 449 I HN -0.812 7.189 8.210 -0.066 0.169 0.470 450 M N 7.972 127.573 119.600 0.002 0.000 2.327 450 M HA -0.220 nan 4.480 nan 0.000 0.353 450 M C -0.286 176.009 176.300 -0.009 0.000 1.539 450 M CA 0.732 56.029 55.300 -0.005 0.000 1.039 450 M CB -0.783 31.817 32.600 0.001 0.000 1.967 450 M HN 0.692 8.988 8.290 0.011 0.000 0.459 451 D N -2.977 117.411 120.400 -0.020 0.000 3.041 451 D HA -0.314 nan 4.640 nan 0.000 0.220 451 D C -0.659 175.624 176.300 -0.029 0.000 1.157 451 D CA 0.942 54.926 54.000 -0.026 0.000 0.876 451 D CB -1.511 39.275 40.800 -0.023 0.000 1.107 451 D HN 0.411 8.766 8.370 -0.024 0.000 0.422 452 A N -0.884 121.921 122.820 -0.026 0.000 2.540 452 A HA -0.115 nan 4.320 nan 0.000 0.239 452 A C 0.057 177.613 177.584 -0.046 0.000 1.061 452 A CA 0.920 52.943 52.037 -0.023 0.000 0.758 452 A CB 0.538 19.529 19.000 -0.015 0.000 0.991 452 A HN -0.740 7.337 8.150 -0.024 0.059 0.502 453 G N 2.332 111.104 108.800 -0.047 0.000 2.494 453 G HA2 0.313 nan 3.960 nan 0.000 0.270 453 G HA3 0.313 nan 3.960 nan 0.000 0.270 453 G C -2.535 172.317 174.900 -0.079 0.000 1.423 453 G CA -1.627 43.435 45.100 -0.062 0.000 1.055 453 G HN 0.185 8.377 8.290 -0.036 0.076 0.536 454 P HA -0.206 nan 4.420 nan 0.000 0.266 454 P C -1.115 176.128 177.300 -0.095 0.000 1.186 454 P CA 0.234 63.265 63.100 -0.115 0.000 0.767 454 P CB 0.265 31.920 31.700 -0.075 0.000 0.820 455 V N 3.430 123.261 119.914 -0.138 0.000 2.439 455 V HA -0.058 nan 4.120 nan 0.000 0.271 455 V C 0.327 176.461 176.094 0.066 0.000 1.040 455 V CA 0.262 62.544 62.300 -0.031 0.000 1.002 455 V CB -0.554 31.251 31.823 -0.030 0.000 1.000 455 V HN 0.094 8.116 8.190 -0.280 0.000 0.477 456 V N 9.780 129.729 119.914 0.060 0.000 2.508 456 V HA 0.317 nan 4.120 nan 0.000 0.281 456 V C -1.145 175.029 176.094 0.133 0.000 1.041 456 V CA 0.686 63.031 62.300 0.076 0.000 1.016 456 V CB -0.298 31.529 31.823 0.007 0.000 0.984 456 V HN 0.210 8.429 8.190 0.048 0.000 0.478 457 V N 7.012 127.014 119.914 0.145 0.000 2.588 457 V HA 0.848 nan 4.120 nan 0.000 0.304 457 V C -1.955 174.213 176.094 0.123 0.000 1.042 457 V CA -1.739 60.610 62.300 0.081 0.000 0.877 457 V CB 1.937 33.825 31.823 0.109 0.000 0.996 457 V HN 0.994 9.273 8.190 0.149 0.000 0.425 458 H N 1.521 120.591 119.070 -0.001 0.000 3.016 458 H HA 0.845 nan 4.556 nan 0.000 0.362 458 H C -1.817 173.479 175.328 -0.052 0.000 1.233 458 H CA -1.095 54.941 56.048 -0.021 0.000 1.124 458 H CB 3.027 32.778 29.762 -0.018 0.000 1.850 458 H HN 0.662 8.801 8.280 -0.236 0.000 0.549 459 C N -0.402 118.938 119.300 0.067 0.000 4.171 459 C HA 0.602 nan 4.460 nan 0.000 0.169 459 C C -0.668 174.377 174.990 0.092 0.000 3.202 459 C CA -1.889 57.122 59.018 -0.012 0.000 1.826 459 C CB 1.794 29.432 27.740 -0.171 0.000 3.952 459 C HN -0.004 8.289 8.230 0.105 0.000 0.458 460 S N 2.446 118.169 115.700 0.039 0.000 2.310 460 S HA -0.178 nan 4.470 nan 0.000 0.205 460 S C 1.958 176.688 174.600 0.216 0.000 1.020 460 S CA 2.609 60.888 58.200 0.131 0.000 0.939 460 S CB 0.368 63.659 63.200 0.152 0.000 0.919 460 S HN 0.367 8.650 8.310 -0.044 0.000 0.501 461 A N 1.192 124.149 122.820 0.229 0.000 2.119 461 A HA 0.066 nan 4.320 nan 0.000 0.216 461 A C 0.417 178.058 177.584 0.095 0.000 1.152 461 A CA 0.843 53.016 52.037 0.227 0.000 0.708 461 A CB -0.175 18.888 19.000 0.105 0.000 0.805 461 A HN 0.225 8.465 8.150 0.150 0.000 0.460 462 G N -3.928 104.899 108.800 0.044 0.000 2.137 462 G HA2 -0.346 nan 3.960 nan 0.000 0.237 462 G HA3 -0.346 nan 3.960 nan 0.000 0.237 462 G C -0.372 174.525 174.900 -0.005 0.000 1.002 462 G CA 1.207 46.321 45.100 0.023 0.000 0.702 462 G HN -0.319 7.947 8.290 0.033 0.044 0.515 463 I N -7.896 112.661 120.570 -0.021 0.000 4.706 463 I HA 0.348 nan 4.170 nan 0.000 0.321 463 I C -0.219 175.881 176.117 -0.030 0.000 1.249 463 I CA 0.200 61.489 61.300 -0.018 0.000 1.321 463 I CB 0.468 38.467 38.000 -0.003 0.000 1.342 463 I HN -0.749 7.444 8.210 -0.029 0.000 0.463 464 G N 0.923 109.675 108.800 -0.079 0.000 2.654 464 G HA2 -0.187 nan 3.960 nan 0.000 0.215 464 G HA3 -0.187 nan 3.960 nan 0.000 0.215 464 G C 1.207 176.036 174.900 -0.118 0.000 1.310 464 G CA 1.668 46.705 45.100 -0.105 0.000 0.866 464 G HN 0.190 8.422 8.290 -0.096 0.000 0.558 465 R N 1.259 121.588 120.500 -0.284 0.000 2.091 465 R HA -0.268 nan 4.340 nan 0.000 0.238 465 R C 2.462 178.672 176.300 -0.149 0.000 1.136 465 R CA 3.930 59.755 56.100 -0.458 0.000 0.959 465 R CB -0.437 29.236 30.300 -1.045 0.000 0.856 465 R HN 0.251 8.316 8.270 -0.342 0.000 0.437 466 T N 1.390 115.875 114.554 -0.115 0.000 2.684 466 T HA -0.222 nan 4.350 nan 0.000 0.267 466 T C 1.978 176.701 174.700 0.038 0.000 1.036 466 T CA 5.206 67.300 62.100 -0.010 0.000 1.148 466 T CB -0.500 68.362 68.868 -0.011 0.000 0.863 466 T HN -0.540 7.599 8.240 -0.167 0.000 0.436 467 G N 0.878 109.683 108.800 0.008 0.000 2.422 467 G HA2 -0.287 nan 3.960 nan 0.000 0.218 467 G HA3 -0.287 nan 3.960 nan 0.000 0.218 467 G C 0.871 175.777 174.900 0.009 0.000 1.146 467 G CA 2.132 47.234 45.100 0.004 0.000 0.769 467 G HN -0.558 7.609 8.290 -0.013 0.115 0.547 468 T N 5.653 120.241 114.554 0.057 0.000 2.674 468 T HA -0.277 nan 4.350 nan 0.000 0.265 468 T C 1.522 176.249 174.700 0.045 0.000 1.039 468 T CA 5.002 67.149 62.100 0.077 0.000 1.150 468 T CB -0.445 68.539 68.868 0.194 0.000 0.864 468 T HN -0.285 7.988 8.240 0.056 0.000 0.427 469 F N 2.518 122.480 119.950 0.020 0.000 2.043 469 F HA -0.459 nan 4.527 nan 0.000 0.297 469 F C 1.114 176.837 175.800 -0.128 0.000 1.121 469 F CA 3.830 61.817 58.000 -0.022 0.000 1.199 469 F CB 0.168 39.181 39.000 0.022 0.000 0.968 469 F HN -0.168 8.313 8.300 0.302 0.000 0.478 470 I N -1.916 118.585 120.570 -0.114 0.000 2.163 470 I HA -0.651 nan 4.170 nan 0.000 0.243 470 I C 1.878 177.702 176.117 -0.489 0.000 1.085 470 I CA 4.426 65.451 61.300 -0.459 0.000 1.347 470 I CB -0.312 37.396 38.000 -0.487 0.000 1.044 470 I HN -0.393 7.872 8.210 0.093 0.000 0.408 471 V N 0.218 119.953 119.914 -0.299 0.000 2.295 471 V HA -0.477 nan 4.120 nan 0.000 0.246 471 V C 1.926 177.857 176.094 -0.273 0.000 1.049 471 V CA 4.696 66.854 62.300 -0.236 0.000 1.024 471 V CB -0.798 30.941 31.823 -0.140 0.000 0.648 471 V HN -0.346 7.717 8.190 -0.212 0.000 0.447 472 I N -0.435 119.951 120.570 -0.308 0.000 2.151 472 I HA -0.705 nan 4.170 nan 0.000 0.243 472 I C 1.483 177.356 176.117 -0.407 0.000 1.080 472 I CA 4.654 65.747 61.300 -0.344 0.000 1.339 472 I CB -0.474 37.314 38.000 -0.353 0.000 1.039 472 I HN -0.269 7.774 8.210 -0.277 0.000 0.409 473 D N -0.490 119.591 120.400 -0.531 0.000 2.144 473 D HA -0.264 nan 4.640 nan 0.000 0.199 473 D C 2.560 178.710 176.300 -0.250 0.000 0.984 473 D CA 3.697 57.424 54.000 -0.454 0.000 0.834 473 D CB 0.048 40.551 40.800 -0.495 0.000 0.955 473 D HN -0.136 7.842 8.370 -0.653 0.000 0.465 474 I N 0.021 120.460 120.570 -0.219 0.000 2.202 474 I HA -0.510 nan 4.170 nan 0.000 0.242 474 I C 1.802 177.833 176.117 -0.143 0.000 1.091 474 I CA 3.976 65.211 61.300 -0.109 0.000 1.368 474 I CB 0.077 38.015 38.000 -0.104 0.000 1.058 474 I HN -0.071 7.858 8.210 -0.307 0.097 0.410 475 L N -0.786 120.323 121.223 -0.189 0.000 2.017 475 L HA -0.432 nan 4.340 nan 0.000 0.208 475 L C 2.226 178.967 176.870 -0.215 0.000 1.073 475 L CA 3.644 58.374 54.840 -0.183 0.000 0.745 475 L CB -0.310 41.626 42.059 -0.206 0.000 0.894 475 L HN -0.293 7.808 8.230 -0.215 0.000 0.432 476 I N -1.274 119.104 120.570 -0.321 0.000 2.394 476 I HA -0.587 nan 4.170 nan 0.000 0.251 476 I C 1.762 177.634 176.117 -0.408 0.000 1.136 476 I CA 4.190 65.195 61.300 -0.491 0.000 1.425 476 I CB -0.540 37.011 38.000 -0.750 0.000 1.079 476 I HN 0.291 8.302 8.210 -0.331 0.000 0.425 477 D N 0.657 120.875 120.400 -0.303 0.000 2.178 477 D HA -0.238 nan 4.640 nan 0.000 0.201 477 D C 2.527 178.747 176.300 -0.133 0.000 0.980 477 D CA 3.992 57.859 54.000 -0.221 0.000 0.842 477 D CB -0.355 40.373 40.800 -0.120 0.000 0.948 477 D HN -0.265 7.865 8.370 -0.281 0.072 0.472 478 I N 0.107 120.611 120.570 -0.109 0.000 2.202 478 I HA -0.526 nan 4.170 nan 0.000 0.242 478 I C 1.556 177.646 176.117 -0.045 0.000 1.091 478 I CA 4.162 65.424 61.300 -0.063 0.000 1.368 478 I CB 0.063 38.029 38.000 -0.057 0.000 1.058 478 I HN -0.396 7.651 8.210 -0.128 0.086 0.410 479 I N -0.442 120.099 120.570 -0.047 0.000 2.142 479 I HA -0.629 nan 4.170 nan 0.000 0.240 479 I C 1.674 177.817 176.117 0.043 0.000 1.078 479 I CA 4.347 65.658 61.300 0.019 0.000 1.343 479 I CB -0.268 37.786 38.000 0.090 0.000 1.046 479 I HN -0.312 7.849 8.210 -0.083 0.000 0.405 480 R N -1.541 118.966 120.500 0.011 0.000 2.200 480 R HA -0.303 nan 4.340 nan 0.000 0.234 480 R C 1.581 177.880 176.300 -0.000 0.000 1.127 480 R CA 2.994 59.106 56.100 0.020 0.000 0.989 480 R CB -0.493 29.754 30.300 -0.089 0.000 0.869 480 R HN 0.080 8.306 8.270 -0.073 0.000 0.459 481 E N -0.920 119.270 120.200 -0.016 0.000 2.132 481 E HA -0.048 nan 4.350 nan 0.000 0.193 481 E C 1.126 177.727 176.600 0.002 0.000 0.951 481 E CA 1.445 57.842 56.400 -0.005 0.000 0.843 481 E CB 0.917 30.610 29.700 -0.011 0.000 0.807 481 E HN -0.629 7.682 8.360 -0.034 0.028 0.467 482 K N -2.551 117.849 120.400 -0.000 0.000 2.417 482 K HA 0.109 nan 4.320 nan 0.000 0.196 482 K C 0.088 176.692 176.600 0.006 0.000 1.023 482 K CA -1.589 54.700 56.287 0.002 0.000 1.122 482 K CB 0.305 32.804 32.500 -0.001 0.000 0.850 482 K HN -0.024 8.223 8.250 -0.006 0.000 0.521 483 G N -0.871 107.936 108.800 0.012 0.000 2.829 483 G HA2 -0.342 nan 3.960 nan 0.000 0.628 483 G HA3 -0.342 nan 3.960 nan 0.000 0.628 483 G C -0.206 174.704 174.900 0.015 0.000 1.412 483 G CA -0.433 44.675 45.100 0.013 0.000 0.864 483 G HN -0.536 7.697 8.290 0.015 0.067 0.544 484 V N 0.240 120.160 119.914 0.008 0.000 3.241 484 V HA -0.120 nan 4.120 nan 0.000 0.269 484 V C 0.059 176.157 176.094 0.006 0.000 1.151 484 V CA 1.920 64.225 62.300 0.008 0.000 1.158 484 V CB -0.212 31.604 31.823 -0.012 0.000 0.764 484 V HN 0.275 8.466 8.190 0.001 0.000 0.508 485 D N -2.345 118.057 120.400 0.004 0.000 2.340 485 D HA 0.059 nan 4.640 nan 0.000 0.220 485 D C -0.042 176.261 176.300 0.005 0.000 1.039 485 D CA 0.551 54.553 54.000 0.003 0.000 0.866 485 D CB -0.174 40.627 40.800 0.001 0.000 0.913 485 D HN 0.086 8.378 8.370 0.004 0.081 0.523 486 C N -0.677 118.627 119.300 0.006 0.000 2.649 486 C HA 0.145 nan 4.460 nan 0.000 0.377 486 C C -0.398 174.595 174.990 0.005 0.000 1.321 486 C CA -2.311 56.709 59.018 0.004 0.000 2.368 486 C CB 1.662 29.403 27.740 0.001 0.000 2.597 486 C HN -0.726 7.444 8.230 0.007 0.065 0.678 487 D N 1.149 121.551 120.400 0.004 0.000 2.304 487 D HA 0.604 nan 4.640 nan 0.000 0.250 487 D C -0.696 175.602 176.300 -0.002 0.000 1.107 487 D CA 0.817 54.820 54.000 0.005 0.000 0.885 487 D CB 1.221 42.026 40.800 0.007 0.000 1.192 487 D HN 0.004 8.376 8.370 0.003 0.000 0.436 488 I N -3.681 116.887 120.570 -0.004 0.000 2.785 488 I HA 0.542 nan 4.170 nan 0.000 0.302 488 I C -2.192 173.917 176.117 -0.013 0.000 1.069 488 I CA -2.601 58.686 61.300 -0.022 0.000 1.045 488 I CB 4.161 42.132 38.000 -0.048 0.000 1.236 488 I HN 0.541 8.754 8.210 0.006 0.000 0.429 489 D N 3.472 123.858 120.400 -0.023 0.000 2.402 489 D HA 0.293 nan 4.640 nan 0.000 0.252 489 D C 0.006 176.292 176.300 -0.024 0.000 1.294 489 D CA -0.840 53.160 54.000 0.001 0.000 0.948 489 D CB 1.792 42.603 40.800 0.017 0.000 1.202 489 D HN 0.357 8.706 8.370 -0.035 0.000 0.561 490 V N 5.713 125.590 119.914 -0.063 0.000 2.270 490 V HA -0.176 nan 4.120 nan 0.000 0.245 490 V C -0.775 175.340 176.094 0.035 0.000 1.043 490 V CA 5.569 67.779 62.300 -0.149 0.000 1.014 490 V CB -2.225 29.289 31.823 -0.515 0.000 0.645 490 V HN 0.688 8.856 8.190 -0.036 0.000 0.447 491 P HA -0.255 nan 4.420 nan 0.000 0.215 491 P C 1.289 178.657 177.300 0.115 0.000 1.153 491 P CA 3.165 66.404 63.100 0.231 0.000 0.853 491 P CB -0.510 31.323 31.700 0.223 0.000 0.788 492 K N -2.418 118.027 120.400 0.073 0.000 2.057 492 K HA -0.344 nan 4.320 nan 0.000 0.207 492 K C 2.278 178.902 176.600 0.040 0.000 1.049 492 K CA 3.676 59.991 56.287 0.048 0.000 0.931 492 K CB -0.223 32.298 32.500 0.035 0.000 0.714 492 K HN -0.593 7.894 8.250 0.076 -0.191 0.440 493 T N 2.340 116.908 114.554 0.023 0.000 2.746 493 T HA -0.242 nan 4.350 nan 0.000 0.267 493 T C 2.310 177.023 174.700 0.023 0.000 1.039 493 T CA 4.833 66.937 62.100 0.006 0.000 1.142 493 T CB -0.568 68.278 68.868 -0.037 0.000 0.866 493 T HN -0.295 7.954 8.240 0.015 0.000 0.444 494 I N 1.599 122.198 120.570 0.049 0.000 2.179 494 I HA -0.580 nan 4.170 nan 0.000 0.242 494 I C 1.216 177.383 176.117 0.084 0.000 1.088 494 I CA 4.175 65.522 61.300 0.079 0.000 1.357 494 I CB -0.370 37.725 38.000 0.158 0.000 1.051 494 I HN -0.053 8.189 8.210 0.054 0.000 0.409 495 Q N -0.252 119.594 119.800 0.078 0.000 2.135 495 Q HA -0.354 nan 4.340 nan 0.000 0.204 495 Q C 2.494 178.549 176.000 0.092 0.000 0.981 495 Q CA 2.991 58.837 55.803 0.072 0.000 0.856 495 Q CB -0.404 28.363 28.738 0.048 0.000 0.902 495 Q HN -0.039 8.279 8.270 0.081 0.000 0.425 496 M N -0.842 118.805 119.600 0.079 0.000 2.159 496 M HA -0.278 nan 4.480 nan 0.000 0.263 496 M C 2.205 178.568 176.300 0.106 0.000 1.063 496 M CA 3.055 58.408 55.300 0.087 0.000 1.110 496 M CB -0.137 32.499 32.600 0.061 0.000 1.374 496 M HN -0.144 8.184 8.290 0.064 0.000 0.411 497 V N -0.018 119.948 119.914 0.086 0.000 2.488 497 V HA -0.390 nan 4.120 nan 0.000 0.246 497 V C 2.483 178.657 176.094 0.134 0.000 1.046 497 V CA 4.062 66.412 62.300 0.083 0.000 1.053 497 V CB -0.954 30.884 31.823 0.025 0.000 0.679 497 V HN -0.117 8.029 8.190 0.068 0.084 0.458 498 R N -1.634 118.955 120.500 0.149 0.000 2.285 498 R HA -0.232 nan 4.340 nan 0.000 0.213 498 R C 1.638 178.157 176.300 0.365 0.000 1.068 498 R CA 2.472 58.693 56.100 0.202 0.000 1.004 498 R CB -0.559 29.833 30.300 0.152 0.000 0.873 498 R HN 0.556 8.899 8.270 0.121 0.000 0.467 499 S N -2.357 113.553 115.700 0.350 0.000 2.562 499 S HA -0.086 nan 4.470 nan 0.000 0.221 499 S C 0.652 175.607 174.600 0.592 0.000 0.975 499 S CA 2.377 60.879 58.200 0.503 0.000 0.918 499 S CB 0.501 63.920 63.200 0.366 0.000 0.772 499 S HN -0.498 7.929 8.310 0.248 0.032 0.531 500 Q N -1.067 119.012 119.800 0.465 0.000 2.316 500 Q HA 0.112 nan 4.340 nan 0.000 0.235 500 Q C -0.385 175.771 176.000 0.260 0.000 0.863 500 Q CA 0.212 56.216 55.803 0.335 0.000 0.939 500 Q CB 2.668 31.502 28.738 0.159 0.000 1.108 500 Q HN -0.133 8.162 8.270 0.353 0.187 0.522 501 R N -1.140 119.451 120.500 0.152 0.000 2.561 501 R HA 0.201 nan 4.340 nan 0.000 0.266 501 R C -2.161 173.997 176.300 -0.236 0.000 1.091 501 R CA -0.468 55.485 56.100 -0.245 0.000 0.927 501 R CB 2.851 33.073 30.300 -0.130 0.000 1.240 501 R HN -0.564 7.848 8.270 0.236 0.000 0.449 502 S N 6.653 122.036 115.700 -0.529 0.000 2.537 502 S HA -0.080 nan 4.470 nan 0.000 0.286 502 S C 0.572 175.163 174.600 -0.016 0.000 1.299 502 S CA 2.280 60.363 58.200 -0.194 0.000 1.067 502 S CB 0.041 63.120 63.200 -0.202 0.000 0.864 502 S HN 0.810 8.613 8.310 -0.845 0.000 0.494 503 G N 2.676 111.525 108.800 0.083 0.000 2.179 503 G HA2 -0.256 nan 3.960 nan 0.000 0.257 503 G HA3 -0.256 nan 3.960 nan 0.000 0.257 503 G C 0.203 175.162 174.900 0.097 0.000 1.010 503 G CA 0.312 45.485 45.100 0.122 0.000 0.736 503 G HN 0.145 8.506 8.290 0.119 0.000 0.513 504 M N 1.400 121.045 119.600 0.074 0.000 2.327 504 M HA -0.179 nan 4.480 nan 0.000 0.353 504 M C 0.142 176.497 176.300 0.092 0.000 1.539 504 M CA 0.583 55.919 55.300 0.060 0.000 1.039 504 M CB -0.334 32.294 32.600 0.047 0.000 1.967 504 M HN -0.830 7.460 8.290 0.074 0.044 0.459 505 V N 3.526 123.490 119.914 0.083 0.000 3.478 505 V HA -0.528 nan 4.120 nan 0.000 0.490 505 V C 0.102 176.296 176.094 0.167 0.000 0.682 505 V CA 0.994 63.370 62.300 0.126 0.000 2.029 505 V CB -1.806 30.130 31.823 0.188 0.000 2.466 505 V HN 0.652 8.872 8.190 0.050 0.000 0.504 506 Q N 4.085 123.949 119.800 0.106 0.000 2.304 506 Q HA 0.167 nan 4.340 nan 0.000 0.204 506 Q C 0.538 176.611 176.000 0.123 0.000 0.936 506 Q CA 1.155 57.002 55.803 0.074 0.000 0.878 506 Q CB 1.483 30.169 28.738 -0.087 0.000 0.983 506 Q HN 0.840 9.490 8.270 0.066 -0.341 0.516 507 T N -3.938 110.635 114.554 0.031 0.000 2.940 507 T HA 0.310 nan 4.350 nan 0.000 0.288 507 T C 0.115 174.533 174.700 -0.471 0.000 1.045 507 T CA -2.056 59.988 62.100 -0.092 0.000 1.018 507 T CB 3.107 71.923 68.868 -0.086 0.000 1.151 507 T HN -0.350 8.191 8.240 0.020 -0.288 0.529 508 E N 2.978 122.769 120.200 -0.682 0.000 2.107 508 E HA -0.359 nan 4.350 nan 0.000 0.191 508 E C 0.653 177.067 176.600 -0.310 0.000 0.982 508 E CA 3.589 59.481 56.400 -0.845 0.000 0.809 508 E CB -0.366 29.078 29.700 -0.427 0.000 0.756 508 E HN 0.563 8.701 8.360 -0.370 0.000 0.459 509 A N -1.424 121.289 122.820 -0.178 0.000 1.908 509 A HA -0.291 nan 4.320 nan 0.000 0.218 509 A C 2.570 180.099 177.584 -0.092 0.000 1.181 509 A CA 3.089 55.061 52.037 -0.108 0.000 0.627 509 A CB -0.886 18.086 19.000 -0.046 0.000 0.818 509 A HN 0.137 8.192 8.150 -0.158 0.000 0.445 510 Q N -1.779 117.990 119.800 -0.052 0.000 2.119 510 Q HA -0.309 nan 4.340 nan 0.000 0.201 510 Q C 2.480 178.474 176.000 -0.010 0.000 0.972 510 Q CA 2.810 58.618 55.803 0.008 0.000 0.847 510 Q CB 0.056 28.835 28.738 0.068 0.000 0.903 510 Q HN -0.535 7.696 8.270 -0.065 0.000 0.433 511 Y N 1.682 121.878 120.300 -0.173 0.000 2.097 511 Y HA -0.483 nan 4.550 nan 0.000 0.282 511 Y C 1.432 177.289 175.900 -0.070 0.000 1.152 511 Y CA 3.512 61.551 58.100 -0.101 0.000 1.136 511 Y CB 0.005 38.348 38.460 -0.195 0.000 0.975 511 Y HN -0.267 7.920 8.280 -0.040 0.070 0.498 512 R N -1.885 118.495 120.500 -0.200 0.000 2.103 512 R HA -0.516 nan 4.340 nan 0.000 0.242 512 R C 2.289 178.403 176.300 -0.310 0.000 1.142 512 R CA 3.421 59.185 56.100 -0.561 0.000 0.960 512 R CB -0.194 29.648 30.300 -0.763 0.000 0.858 512 R HN 0.327 8.541 8.270 -0.093 0.000 0.439 513 S N -0.145 115.432 115.700 -0.206 0.000 2.400 513 S HA -0.256 nan 4.470 nan 0.000 0.232 513 S C 2.223 176.740 174.600 -0.138 0.000 1.025 513 S CA 3.660 61.768 58.200 -0.153 0.000 0.993 513 S CB -0.755 62.367 63.200 -0.131 0.000 0.808 513 S HN -0.337 7.782 8.310 -0.186 0.079 0.478 514 I N 1.954 122.422 120.570 -0.171 0.000 2.226 514 I HA -0.468 nan 4.170 nan 0.000 0.245 514 I C 1.562 177.545 176.117 -0.224 0.000 1.100 514 I CA 4.008 65.174 61.300 -0.224 0.000 1.374 514 I CB -0.445 37.370 38.000 -0.308 0.000 1.057 514 I HN -0.492 7.599 8.210 -0.178 0.012 0.413 515 Y N -1.125 119.070 120.300 -0.175 0.000 2.133 515 Y HA -0.457 nan 4.550 nan 0.000 0.287 515 Y C 2.213 178.105 175.900 -0.014 0.000 1.134 515 Y CA 4.161 62.230 58.100 -0.052 0.000 1.133 515 Y CB -0.294 38.227 38.460 0.102 0.000 0.987 515 Y HN -0.977 7.169 8.280 -0.090 0.080 0.502 516 M N -1.921 117.750 119.600 0.118 0.000 2.106 516 M HA -0.502 nan 4.480 nan 0.000 0.259 516 M C 2.483 178.820 176.300 0.061 0.000 1.068 516 M CA 1.694 57.037 55.300 0.072 0.000 1.100 516 M CB -1.586 31.009 32.600 -0.008 0.000 1.351 516 M HN 0.078 8.410 8.290 0.070 0.000 0.404 517 A N -0.567 122.252 122.820 -0.002 0.000 1.898 517 A HA -0.216 nan 4.320 nan 0.000 0.216 517 A C 2.267 179.885 177.584 0.056 0.000 1.181 517 A CA 3.375 55.411 52.037 -0.001 0.000 0.620 517 A CB -0.756 18.189 19.000 -0.091 0.000 0.819 517 A HN 0.255 8.379 8.150 -0.044 0.000 0.442 518 V N -0.233 119.685 119.914 0.007 0.000 2.515 518 V HA -0.472 nan 4.120 nan 0.000 0.250 518 V C 1.884 178.049 176.094 0.118 0.000 1.058 518 V CA 4.104 66.425 62.300 0.035 0.000 1.064 518 V CB -1.178 30.611 31.823 -0.057 0.000 0.675 518 V HN -0.283 7.881 8.190 -0.044 0.000 0.461 519 Q N 0.325 120.199 119.800 0.124 0.000 1.993 519 Q HA -0.448 nan 4.340 nan 0.000 0.202 519 Q C 1.565 177.632 176.000 0.112 0.000 0.984 519 Q CA 3.699 59.576 55.803 0.124 0.000 0.837 519 Q CB -0.168 28.655 28.738 0.141 0.000 0.902 519 Q HN 0.373 8.713 8.270 0.117 0.000 0.423 520 H N 0.739 119.844 119.070 0.060 0.000 2.289 520 H HA -0.396 nan 4.556 nan 0.000 0.296 520 H C 2.036 177.400 175.328 0.059 0.000 1.091 520 H CA 4.198 60.275 56.048 0.049 0.000 1.274 520 H CB 0.487 30.276 29.762 0.045 0.000 1.364 520 H HN -0.227 8.193 8.280 0.234 0.000 0.490 521 Y N -0.042 120.278 120.300 0.033 0.000 2.114 521 Y HA -0.489 nan 4.550 nan 0.000 0.282 521 Y C 2.393 178.248 175.900 -0.075 0.000 1.165 521 Y CA 3.309 61.392 58.100 -0.029 0.000 1.148 521 Y CB -0.200 38.244 38.460 -0.026 0.000 0.972 521 Y HN -0.213 8.263 8.280 0.326 0.000 0.504 522 I N -3.448 117.112 120.570 -0.016 0.000 2.179 522 I HA -0.486 nan 4.170 nan 0.000 0.242 522 I C 2.273 178.294 176.117 -0.159 0.000 1.088 522 I CA 2.222 63.468 61.300 -0.090 0.000 1.357 522 I CB -0.762 37.244 38.000 0.009 0.000 1.051 522 I HN 0.125 8.413 8.210 0.131 0.000 0.409 523 E N -1.045 119.067 120.200 -0.147 0.000 2.511 523 E HA -0.148 nan 4.350 nan 0.000 0.196 523 E C 0.855 177.311 176.600 -0.239 0.000 1.066 523 E CA 1.779 58.083 56.400 -0.161 0.000 0.871 523 E CB -0.167 29.464 29.700 -0.116 0.000 0.863 523 E HN 0.201 8.412 8.360 -0.115 0.081 0.520 524 T N -4.270 110.088 114.554 -0.327 0.000 3.258 524 T HA 0.281 nan 4.350 nan 0.000 0.263 524 T C -0.824 173.704 174.700 -0.287 0.000 0.983 524 T CA -0.949 60.969 62.100 -0.303 0.000 0.907 524 T CB -0.265 68.403 68.868 -0.335 0.000 1.096 524 T HN -0.124 7.745 8.240 -0.350 0.162 0.556 525 L N 0.000 121.062 121.223 -0.269 0.000 2.949 525 L HA 0.000 nan 4.340 nan 0.000 0.249 525 L CA 0.000 54.700 54.840 -0.232 0.000 0.813 525 L CB 0.000 41.870 42.059 -0.316 0.000 0.961 525 L HN 0.000 7.920 8.230 -0.244 0.163 0.502