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_B 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 0.341 0.000 0.988 2 K CA 0.000 56.575 56.287 0.480 0.000 0.838 2 K CB 0.000 32.846 32.500 0.577 0.000 1.064 3 S N 2.438 118.235 115.700 0.161 0.000 2.803 3 S HA -0.050 nan 4.470 nan 0.000 0.228 3 S C 0.584 174.998 174.600 -0.311 0.000 0.953 3 S CA -0.216 57.949 58.200 -0.058 0.000 0.983 3 S CB -0.685 62.498 63.200 -0.029 0.000 0.784 3 S HN 0.504 8.957 8.310 0.237 0.000 0.498 4 R N -2.345 117.747 120.500 -0.680 0.000 4.024 4 R HA -0.333 nan 4.340 nan 0.000 0.372 4 R C 1.317 177.083 176.300 -0.889 0.000 1.192 4 R CA 2.099 57.484 56.100 -1.192 0.000 1.183 4 R CB -1.959 27.940 30.300 -0.668 0.000 1.672 4 R HN -0.225 7.663 8.270 -0.448 0.113 0.571 5 R N -0.899 119.236 120.500 -0.609 0.000 2.127 5 R HA -0.264 nan 4.340 nan 0.000 0.238 5 R C 1.714 177.851 176.300 -0.272 0.000 1.134 5 R CA 2.842 58.737 56.100 -0.342 0.000 0.975 5 R CB -1.005 29.200 30.300 -0.159 0.000 0.865 5 R HN -0.458 7.402 8.270 -0.469 0.129 0.447 6 W N -5.684 115.637 121.300 0.035 0.000 2.699 6 W HA -0.098 nan 4.660 nan 0.000 0.249 6 W C -1.048 175.646 176.519 0.292 0.000 1.280 6 W CA -2.245 55.160 57.345 0.101 0.000 1.345 6 W CB -1.002 28.459 29.460 0.002 0.000 1.128 6 W HN -0.539 7.183 8.180 -0.743 0.012 0.642 7 F N 2.271 122.150 119.950 -0.119 0.000 2.424 7 F HA -0.028 nan 4.527 nan 0.000 0.356 7 F C -1.292 174.507 175.800 -0.001 0.000 1.110 7 F CA -0.129 57.887 58.000 0.026 0.000 1.161 7 F CB 0.658 39.495 39.000 -0.272 0.000 1.115 7 F HN -0.432 7.400 8.300 -0.464 0.190 0.507 8 H N 9.203 127.893 119.070 -0.635 0.000 2.661 8 H HA 0.359 nan 4.556 nan 0.000 0.290 8 H C -1.733 173.241 175.328 -0.589 0.000 1.082 8 H CA -2.301 53.482 56.048 -0.441 0.000 1.234 8 H CB 0.806 30.441 29.762 -0.212 0.000 1.387 8 H HN 0.630 8.701 8.280 -0.348 0.000 0.476 9 P HA -0.105 nan 4.420 nan 0.000 0.219 9 P C -0.890 176.526 177.300 0.194 0.000 1.150 9 P CA 1.035 64.116 63.100 -0.032 0.000 0.814 9 P CB 0.618 32.373 31.700 0.091 0.000 0.787 10 N N -0.781 117.988 118.700 0.115 0.000 2.664 10 N HA 0.087 nan 4.740 nan 0.000 0.257 10 N C -1.585 173.963 175.510 0.063 0.000 1.108 10 N CA -0.718 52.404 53.050 0.121 0.000 0.822 10 N CB 0.879 39.455 38.487 0.149 0.000 1.199 10 N HN -0.105 8.309 8.380 0.057 0.000 0.529 11 I N 1.227 121.819 120.570 0.037 0.000 2.722 11 I HA 0.090 nan 4.170 nan 0.000 0.292 11 I C -1.151 174.966 176.117 -0.001 0.000 1.267 11 I CA -0.941 60.371 61.300 0.020 0.000 1.036 11 I CB 3.222 41.233 38.000 0.017 0.000 1.281 11 I HN -0.100 8.129 8.210 0.033 0.000 0.423 12 T N 7.153 121.704 114.554 -0.005 0.000 2.754 12 T HA 0.225 nan 4.350 nan 0.000 0.286 12 T C 1.372 176.052 174.700 -0.032 0.000 0.997 12 T CA 0.146 62.234 62.100 -0.019 0.000 0.982 12 T CB 1.060 69.919 68.868 -0.015 0.000 1.027 12 T HN -0.003 8.525 8.240 0.003 -0.286 0.529 13 G N 0.521 109.284 108.800 -0.062 0.000 2.421 13 G HA2 -0.257 nan 3.960 nan 0.000 0.216 13 G HA3 -0.257 nan 3.960 nan 0.000 0.216 13 G C 1.075 175.956 174.900 -0.032 0.000 1.171 13 G CA 2.450 47.486 45.100 -0.106 0.000 0.775 13 G HN 0.448 8.699 8.290 -0.065 0.000 0.543 14 V N 1.233 121.134 119.914 -0.021 0.000 2.307 14 V HA -0.276 nan 4.120 nan 0.000 0.245 14 V C 2.103 178.207 176.094 0.015 0.000 1.045 14 V CA 3.119 65.424 62.300 0.007 0.000 1.024 14 V CB -0.407 31.417 31.823 0.002 0.000 0.651 14 V HN 0.163 8.332 8.190 -0.036 0.000 0.449 15 E N 0.340 120.544 120.200 0.006 0.000 2.097 15 E HA -0.404 nan 4.350 nan 0.000 0.196 15 E C 2.222 178.820 176.600 -0.002 0.000 1.000 15 E CA 3.455 59.858 56.400 0.006 0.000 0.804 15 E CB -0.536 29.168 29.700 0.007 0.000 0.740 15 E HN 0.264 8.623 8.360 -0.001 0.000 0.454 16 A N -0.977 121.839 122.820 -0.006 0.000 1.877 16 A HA -0.306 nan 4.320 nan 0.000 0.216 16 A C 2.276 179.876 177.584 0.026 0.000 1.186 16 A CA 3.280 55.306 52.037 -0.017 0.000 0.620 16 A CB -0.880 18.130 19.000 0.016 0.000 0.822 16 A HN 0.072 8.219 8.150 -0.005 0.000 0.443 17 E N -1.439 118.809 120.200 0.081 0.000 2.051 17 E HA -0.473 nan 4.350 nan 0.000 0.192 17 E C 2.546 179.165 176.600 0.032 0.000 0.991 17 E CA 3.373 59.817 56.400 0.073 0.000 0.799 17 E CB -0.228 29.537 29.700 0.107 0.000 0.748 17 E HN -0.165 8.252 8.360 0.095 0.000 0.449 18 N N 0.285 119.001 118.700 0.027 0.000 2.023 18 N HA -0.400 nan 4.740 nan 0.000 0.200 18 N C 2.219 177.735 175.510 0.010 0.000 1.048 18 N CA 3.433 56.493 53.050 0.017 0.000 0.872 18 N CB 0.197 38.694 38.487 0.016 0.000 1.070 18 N HN -0.111 8.288 8.380 0.032 0.000 0.441 19 L N -0.203 121.023 121.223 0.004 0.000 2.043 19 L HA -0.312 nan 4.340 nan 0.000 0.212 19 L C 2.154 179.023 176.870 -0.002 0.000 1.075 19 L CA 3.204 58.044 54.840 -0.001 0.000 0.752 19 L CB -0.286 41.760 42.059 -0.022 0.000 0.891 19 L HN 0.115 8.346 8.230 0.002 0.000 0.432 20 L N -2.846 118.373 121.223 -0.006 0.000 2.093 20 L HA -0.394 nan 4.340 nan 0.000 0.208 20 L C 2.626 179.500 176.870 0.007 0.000 1.085 20 L CA 3.056 57.897 54.840 0.002 0.000 0.755 20 L CB -0.297 41.764 42.059 0.003 0.000 0.904 20 L HN -0.216 8.009 8.230 -0.009 0.000 0.435 21 L N -2.080 119.147 121.223 0.006 0.000 2.072 21 L HA -0.339 nan 4.340 nan 0.000 0.205 21 L C 2.391 179.263 176.870 0.003 0.000 1.079 21 L CA 3.101 57.944 54.840 0.006 0.000 0.752 21 L CB -0.054 42.009 42.059 0.007 0.000 0.906 21 L HN -0.108 8.126 8.230 0.007 0.000 0.436 22 T N -5.765 108.792 114.554 0.004 0.000 2.976 22 T HA -0.055 nan 4.350 nan 0.000 0.257 22 T C 1.649 176.348 174.700 -0.001 0.000 1.051 22 T CA 2.287 64.388 62.100 0.002 0.000 1.141 22 T CB 0.094 68.965 68.868 0.005 0.000 0.881 22 T HN 0.351 8.594 8.240 0.006 0.000 0.461 23 R N -0.344 120.157 120.500 0.001 0.000 2.397 23 R HA 0.364 nan 4.340 nan 0.000 0.241 23 R C 0.176 176.471 176.300 -0.009 0.000 0.914 23 R CA -0.978 55.122 56.100 -0.001 0.000 1.071 23 R CB 1.227 31.534 30.300 0.012 0.000 1.116 23 R HN 0.105 8.275 8.270 0.004 0.103 0.524 24 G N -1.862 106.934 108.800 -0.006 0.000 2.685 24 G HA2 0.241 nan 3.960 nan 0.000 0.298 24 G HA3 0.241 nan 3.960 nan 0.000 0.298 24 G C -2.142 172.754 174.900 -0.008 0.000 1.277 24 G CA -0.750 44.346 45.100 -0.006 0.000 0.986 24 G HN -0.770 7.467 8.290 -0.002 0.052 0.487 25 V N -6.894 113.021 119.914 0.002 0.000 3.181 25 V HA 0.595 nan 4.120 nan 0.000 0.314 25 V C -0.541 175.615 176.094 0.104 0.000 1.173 25 V CA -3.485 58.827 62.300 0.020 0.000 1.052 25 V CB 2.681 34.474 31.823 -0.050 0.000 1.123 25 V HN 0.273 8.470 8.190 0.011 0.000 0.454 26 D N 1.593 122.057 120.400 0.107 0.000 2.493 26 D HA -0.179 nan 4.640 nan 0.000 0.240 26 D C 0.762 177.190 176.300 0.213 0.000 1.142 26 D CA 1.291 55.363 54.000 0.121 0.000 0.872 26 D CB -0.504 40.343 40.800 0.078 0.000 1.173 26 D HN 0.133 8.547 8.370 0.074 0.000 0.467 27 G N 3.755 112.648 108.800 0.155 0.000 2.175 27 G HA2 -0.444 nan 3.960 nan 0.000 0.244 27 G HA3 -0.444 nan 3.960 nan 0.000 0.244 27 G C 0.017 175.087 174.900 0.282 0.000 0.982 27 G CA 0.088 45.272 45.100 0.141 0.000 0.641 27 G HN 0.730 8.975 8.290 0.105 0.108 0.527 28 S N 3.190 119.077 115.700 0.313 0.000 2.564 28 S HA 0.592 nan 4.470 nan 0.000 0.278 28 S C -1.556 173.195 174.600 0.252 0.000 1.333 28 S CA 2.094 60.446 58.200 0.252 0.000 1.048 28 S CB 0.641 63.926 63.200 0.141 0.000 0.900 28 S HN -0.364 8.023 8.310 0.261 0.080 0.505 29 F N -0.496 119.502 119.950 0.081 0.000 2.631 29 F HA 1.082 nan 4.527 nan 0.000 0.308 29 F C -3.022 172.838 175.800 0.100 0.000 1.097 29 F CA -1.824 56.203 58.000 0.044 0.000 0.952 29 F CB 3.570 42.563 39.000 -0.013 0.000 1.307 29 F HN 0.220 8.415 8.300 -0.175 0.000 0.450 30 L N -5.121 116.253 121.223 0.251 0.000 2.415 30 L HA 0.916 nan 4.340 nan 0.000 0.256 30 L C -2.252 174.843 176.870 0.375 0.000 1.010 30 L CA -1.564 53.431 54.840 0.260 0.000 0.826 30 L CB 3.888 45.900 42.059 -0.078 0.000 1.405 30 L HN 0.530 8.920 8.230 0.267 0.000 0.410 31 A N -1.348 121.788 122.820 0.526 0.000 2.337 31 A HA 1.042 nan 4.320 nan 0.000 0.329 31 A C -2.246 175.481 177.584 0.237 0.000 1.146 31 A CA -1.437 50.902 52.037 0.504 0.000 0.800 31 A CB 2.205 21.711 19.000 0.843 0.000 1.220 31 A HN 0.945 9.388 8.150 0.681 0.116 0.472 32 R N -1.096 119.513 120.500 0.183 0.000 2.698 32 R HA 0.768 nan 4.340 nan 0.000 0.275 32 R C -3.184 173.244 176.300 0.212 0.000 1.001 32 R CA -3.382 52.699 56.100 -0.032 0.000 0.896 32 R CB 1.532 31.821 30.300 -0.018 0.000 1.218 32 R HN 0.675 9.113 8.270 0.279 0.000 0.462 33 P HA 0.144 nan 4.420 nan 0.000 0.276 33 P C -1.159 176.252 177.300 0.184 0.000 1.243 33 P CA -0.275 63.037 63.100 0.353 0.000 0.768 33 P CB 0.132 32.137 31.700 0.509 0.000 0.856 34 S N 5.715 121.512 115.700 0.162 0.000 2.592 34 S HA -0.093 nan 4.470 nan 0.000 0.271 34 S C -0.004 174.621 174.600 0.041 0.000 1.326 34 S CA 0.407 58.657 58.200 0.082 0.000 1.024 34 S CB 1.262 64.511 63.200 0.081 0.000 0.921 34 S HN 0.433 8.765 8.310 0.208 0.103 0.527 35 K N 3.988 124.389 120.400 0.002 0.000 3.010 35 K HA 0.200 nan 4.320 nan 0.000 0.211 35 K C 0.286 176.874 176.600 -0.020 0.000 1.146 35 K CA -1.031 55.244 56.287 -0.019 0.000 1.070 35 K CB -0.832 31.646 32.500 -0.037 0.000 0.908 35 K HN 0.361 8.607 8.250 -0.007 0.000 0.463 36 S N -1.158 114.538 115.700 -0.008 0.000 2.501 36 S HA -0.060 nan 4.470 nan 0.000 0.220 36 S C 0.066 174.668 174.600 0.003 0.000 0.997 36 S CA 1.247 59.443 58.200 -0.007 0.000 0.919 36 S CB 1.276 64.474 63.200 -0.004 0.000 0.778 36 S HN -0.288 7.970 8.310 0.002 0.053 0.523 37 N N 0.974 119.680 118.700 0.011 0.000 4.711 37 N HA 0.178 nan 4.740 nan 0.000 0.175 37 N C -3.499 172.032 175.510 0.035 0.000 1.031 37 N CA 0.071 53.133 53.050 0.020 0.000 1.143 37 N CB 1.802 40.309 38.487 0.033 0.000 1.585 37 N HN -0.764 7.560 8.380 0.012 0.063 0.817 38 P HA 0.105 nan 4.420 nan 0.000 0.279 38 P C -0.304 177.045 177.300 0.081 0.000 1.239 38 P CA 0.580 63.706 63.100 0.044 0.000 0.789 38 P CB 0.257 31.956 31.700 -0.002 0.000 0.933 39 G N 3.480 112.363 108.800 0.139 0.000 2.299 39 G HA2 -0.332 nan 3.960 nan 0.000 0.237 39 G HA3 -0.332 nan 3.960 nan 0.000 0.237 39 G C -0.978 174.022 174.900 0.167 0.000 1.027 39 G CA -0.065 45.120 45.100 0.143 0.000 0.619 39 G HN 0.400 8.799 8.290 0.181 0.000 0.513 40 D N 3.135 123.630 120.400 0.158 0.000 2.225 40 D HA 0.608 nan 4.640 nan 0.000 0.248 40 D C -0.700 175.736 176.300 0.226 0.000 1.096 40 D CA -0.009 54.096 54.000 0.175 0.000 0.863 40 D CB 0.560 41.437 40.800 0.128 0.000 1.156 40 D HN -0.753 7.596 8.370 0.130 0.098 0.450 41 L N 2.499 123.885 121.223 0.272 0.000 2.365 41 L HA 0.806 nan 4.340 nan 0.000 0.267 41 L C 0.055 177.066 176.870 0.235 0.000 1.033 41 L CA -1.430 53.595 54.840 0.307 0.000 0.802 41 L CB 1.406 43.700 42.059 0.391 0.000 1.267 41 L HN 0.814 9.211 8.230 0.279 0.000 0.457 42 T N 1.820 116.509 114.554 0.226 0.000 2.848 42 T HA 0.516 nan 4.350 nan 0.000 0.285 42 T C -1.984 172.842 174.700 0.210 0.000 0.995 42 T CA -0.085 62.126 62.100 0.185 0.000 0.970 42 T CB 1.977 70.926 68.868 0.135 0.000 0.976 42 T HN 0.791 9.076 8.240 0.252 0.107 0.441 43 L N 6.670 128.000 121.223 0.179 0.000 2.259 43 L HA 0.529 nan 4.340 nan 0.000 0.288 43 L C -1.963 174.990 176.870 0.137 0.000 1.051 43 L CA -1.514 53.420 54.840 0.157 0.000 0.824 43 L CB 1.493 43.592 42.059 0.067 0.000 1.206 43 L HN 0.916 9.241 8.230 0.158 0.000 0.429 44 S N 8.591 124.392 115.700 0.168 0.000 2.422 44 S HA 0.514 nan 4.470 nan 0.000 0.298 44 S C -1.626 173.015 174.600 0.069 0.000 1.118 44 S CA 0.460 58.724 58.200 0.107 0.000 1.083 44 S CB 0.520 63.823 63.200 0.172 0.000 0.971 44 S HN 0.554 8.982 8.310 0.197 0.000 0.478 45 V N 5.393 125.300 119.914 -0.013 0.000 2.680 45 V HA 0.663 nan 4.120 nan 0.000 0.309 45 V C -1.769 174.314 176.094 -0.017 0.000 1.052 45 V CA -1.822 60.498 62.300 0.033 0.000 0.908 45 V CB 2.792 34.615 31.823 0.001 0.000 1.001 45 V HN 1.060 9.190 8.190 -0.100 0.000 0.431 46 R N 4.694 125.213 120.500 0.033 0.000 2.265 46 R HA 0.736 nan 4.340 nan 0.000 0.319 46 R C -1.598 174.715 176.300 0.022 0.000 1.006 46 R CA -0.747 55.362 56.100 0.015 0.000 0.880 46 R CB 1.869 32.191 30.300 0.037 0.000 1.077 46 R HN 0.848 9.171 8.270 0.088 0.000 0.454 47 R N 5.801 126.300 120.500 -0.001 0.000 2.584 47 R HA 0.284 nan 4.340 nan 0.000 0.276 47 R C -1.059 175.240 176.300 -0.002 0.000 1.046 47 R CA -2.465 53.636 56.100 0.001 0.000 0.906 47 R CB 1.845 32.139 30.300 -0.011 0.000 1.215 47 R HN 0.908 9.168 8.270 -0.018 0.000 0.449 48 N N 3.077 121.779 118.700 0.003 0.000 2.714 48 N HA -0.429 nan 4.740 nan 0.000 0.252 48 N C 0.163 175.675 175.510 0.002 0.000 1.014 48 N CA 0.987 54.038 53.050 0.002 0.000 0.735 48 N CB -1.918 36.568 38.487 -0.002 0.000 0.924 48 N HN 0.784 9.221 8.380 0.007 -0.052 0.540 49 G N -4.830 103.974 108.800 0.006 0.000 2.205 49 G HA2 -0.509 nan 3.960 nan 0.000 0.269 49 G HA3 -0.509 nan 3.960 nan 0.000 0.269 49 G C -1.432 173.468 174.900 -0.001 0.000 0.977 49 G CA 0.562 45.665 45.100 0.004 0.000 0.652 49 G HN 0.217 8.988 8.290 0.011 -0.474 0.539 50 A N -0.744 122.071 122.820 -0.008 0.000 2.354 50 A HA 0.403 nan 4.320 nan 0.000 0.321 50 A C -2.064 175.495 177.584 -0.041 0.000 1.125 50 A CA -1.486 50.540 52.037 -0.018 0.000 0.799 50 A CB 2.863 21.853 19.000 -0.017 0.000 1.293 50 A HN -0.437 7.511 8.150 -0.008 0.198 0.452 51 V N 0.152 120.025 119.914 -0.069 0.000 2.394 51 V HA 0.550 nan 4.120 nan 0.000 0.282 51 V C -0.573 175.351 176.094 -0.283 0.000 1.031 51 V CA -0.886 61.321 62.300 -0.155 0.000 0.881 51 V CB 0.731 32.461 31.823 -0.155 0.000 0.982 51 V HN 0.224 8.385 8.190 -0.048 0.000 0.451 52 T N 6.929 121.306 114.554 -0.296 0.000 2.895 52 T HA 0.481 nan 4.350 nan 0.000 0.283 52 T C -1.578 172.859 174.700 -0.438 0.000 1.014 52 T CA -2.142 59.776 62.100 -0.303 0.000 1.037 52 T CB 2.204 70.997 68.868 -0.124 0.000 1.006 52 T HN 0.777 8.891 8.240 -0.209 0.000 0.468 53 H N 4.756 123.825 119.070 -0.002 0.000 2.539 53 H HA 0.556 nan 4.556 nan 0.000 0.332 53 H C -0.775 174.547 175.328 -0.011 0.000 1.031 53 H CA -1.324 54.724 56.048 0.001 0.000 1.206 53 H CB 1.470 31.231 29.762 -0.002 0.000 1.446 53 H HN 0.235 8.470 8.280 -0.075 0.000 0.496 54 I N 5.415 126.047 120.570 0.103 0.000 2.377 54 I HA 0.102 nan 4.170 nan 0.000 0.293 54 I C -1.419 174.758 176.117 0.100 0.000 0.987 54 I CA -1.114 60.228 61.300 0.070 0.000 1.185 54 I CB 2.068 40.094 38.000 0.044 0.000 1.341 54 I HN 0.815 8.982 8.210 0.103 0.105 0.455 55 K N 7.615 128.061 120.400 0.077 0.000 2.249 55 K HA 0.286 nan 4.320 nan 0.000 0.280 55 K C -1.686 175.035 176.600 0.201 0.000 1.033 55 K CA -0.150 56.205 56.287 0.114 0.000 0.946 55 K CB 0.570 33.095 32.500 0.041 0.000 1.005 55 K HN 0.410 8.667 8.250 0.012 0.000 0.469 56 I N 6.502 127.202 120.570 0.216 0.000 2.439 56 I HA 0.320 nan 4.170 nan 0.000 0.283 56 I C -1.775 174.497 176.117 0.258 0.000 1.023 56 I CA -0.890 60.570 61.300 0.267 0.000 1.100 56 I CB 1.775 39.958 38.000 0.304 0.000 1.238 56 I HN 0.622 8.951 8.210 0.199 0.000 0.445 57 Q N 7.423 127.360 119.800 0.229 0.000 2.230 57 Q HA 0.381 nan 4.340 nan 0.000 0.253 57 Q C -1.816 174.238 176.000 0.090 0.000 0.919 57 Q CA -0.946 54.952 55.803 0.159 0.000 0.908 57 Q CB 2.403 31.223 28.738 0.137 0.000 1.245 57 Q HN 0.158 8.576 8.270 0.246 0.000 0.437 58 N N 3.205 121.899 118.700 -0.010 0.000 2.461 58 N HA 0.423 nan 4.740 nan 0.000 0.284 58 N C 0.111 175.536 175.510 -0.142 0.000 1.049 58 N CA -0.323 52.610 53.050 -0.194 0.000 0.889 58 N CB 2.233 40.441 38.487 -0.465 0.000 1.365 58 N HN -0.038 8.365 8.380 0.039 0.000 0.499 59 T N -0.325 114.123 114.554 -0.176 0.000 3.069 59 T HA 0.333 nan 4.350 nan 0.000 0.252 59 T C -0.061 174.547 174.700 -0.153 0.000 1.053 59 T CA -0.920 61.109 62.100 -0.118 0.000 0.964 59 T CB 0.702 69.516 68.868 -0.091 0.000 1.005 59 T HN 0.497 8.589 8.240 -0.246 0.000 0.532 60 G N 0.812 109.464 108.800 -0.248 0.000 2.485 60 G HA2 -0.194 nan 3.960 nan 0.000 0.181 60 G HA3 -0.194 nan 3.960 nan 0.000 0.181 60 G C -1.592 173.112 174.900 -0.326 0.000 0.999 60 G CA 0.696 45.663 45.100 -0.222 0.000 0.721 60 G HN 0.103 8.407 8.290 -0.321 -0.206 0.486 61 D N -0.699 119.386 120.400 -0.525 0.000 2.379 61 D HA 0.249 nan 4.640 nan 0.000 0.218 61 D C -0.629 175.290 176.300 -0.634 0.000 1.006 61 D CA 1.308 54.928 54.000 -0.633 0.000 0.893 61 D CB 2.504 42.811 40.800 -0.821 0.000 1.019 61 D HN 0.129 8.145 8.370 -0.590 0.000 0.503 62 Y N -7.356 112.791 120.300 -0.255 0.000 2.851 62 Y HA 0.150 nan 4.550 nan 0.000 0.359 62 Y C -2.146 173.610 175.900 -0.239 0.000 1.231 62 Y CA -1.938 56.023 58.100 -0.233 0.000 1.106 62 Y CB 0.177 38.445 38.460 -0.321 0.000 1.409 62 Y HN -0.954 6.750 8.280 -0.960 0.000 0.454 63 Y N -1.350 119.109 120.300 0.264 0.000 2.365 63 Y HA -0.019 nan 4.550 nan 0.000 0.340 63 Y C -0.756 175.333 175.900 0.316 0.000 1.016 63 Y CA 0.484 58.738 58.100 0.257 0.000 1.196 63 Y CB 0.721 39.327 38.460 0.242 0.000 1.167 63 Y HN 0.429 9.000 8.280 0.485 0.000 0.509 64 D N 5.612 126.243 120.400 0.384 0.000 2.473 64 D HA 0.257 nan 4.640 nan 0.000 0.226 64 D C -1.687 174.786 176.300 0.288 0.000 1.089 64 D CA -1.875 52.308 54.000 0.304 0.000 0.883 64 D CB 1.254 42.227 40.800 0.288 0.000 1.029 64 D HN 0.799 9.248 8.370 0.308 0.106 0.517 65 L N 6.160 127.570 121.223 0.312 0.000 2.361 65 L HA 0.173 nan 4.340 nan 0.000 0.278 65 L C -1.080 175.931 176.870 0.234 0.000 1.113 65 L CA -0.142 54.872 54.840 0.289 0.000 0.849 65 L CB 0.278 42.540 42.059 0.339 0.000 1.155 65 L HN -0.429 8.008 8.230 0.345 0.000 0.452 66 Y N 10.213 130.582 120.300 0.115 0.000 2.650 66 Y HA -0.274 nan 4.550 nan 0.000 0.331 66 Y C 0.722 176.658 175.900 0.059 0.000 1.165 66 Y CA 2.162 60.312 58.100 0.084 0.000 1.473 66 Y CB 0.410 38.914 38.460 0.073 0.000 1.224 66 Y HN 0.495 8.985 8.280 0.349 0.000 0.533 67 G N 5.802 114.490 108.800 -0.188 0.000 2.168 67 G HA2 -0.439 nan 3.960 nan 0.000 0.263 67 G HA3 -0.439 nan 3.960 nan 0.000 0.263 67 G C -1.283 173.631 174.900 0.024 0.000 0.977 67 G CA -0.235 44.827 45.100 -0.063 0.000 0.659 67 G HN 0.362 8.358 8.290 -0.490 0.000 0.533 68 G N -0.840 108.004 108.800 0.073 0.000 3.262 68 G HA2 0.731 nan 3.960 nan 0.000 0.229 68 G HA3 0.731 nan 3.960 nan 0.000 0.229 68 G C -1.538 173.465 174.900 0.173 0.000 1.280 68 G CA -0.792 44.415 45.100 0.180 0.000 0.951 68 G HN -0.452 7.717 8.290 0.065 0.160 0.589 69 E N -0.987 119.378 120.200 0.275 0.000 2.267 69 E HA 0.275 nan 4.350 nan 0.000 0.258 69 E C -0.845 175.648 176.600 -0.179 0.000 1.074 69 E CA -1.170 55.194 56.400 -0.061 0.000 0.915 69 E CB 2.620 32.121 29.700 -0.331 0.000 1.186 69 E HN -0.121 8.565 8.360 0.543 0.000 0.439 70 K N -1.029 119.061 120.400 -0.516 0.000 2.156 70 K HA 0.494 nan 4.320 nan 0.000 0.271 70 K C -0.940 175.174 176.600 -0.810 0.000 0.995 70 K CA -0.305 55.690 56.287 -0.486 0.000 0.890 70 K CB 1.124 33.169 32.500 -0.759 0.000 1.073 70 K HN 0.140 8.097 8.250 -0.488 0.000 0.454 71 F N -0.697 119.234 119.950 -0.032 0.000 2.588 71 F HA 0.341 nan 4.527 nan 0.000 0.314 71 F C -0.392 175.498 175.800 0.149 0.000 1.069 71 F CA -1.467 56.532 58.000 -0.002 0.000 0.931 71 F CB 3.781 42.768 39.000 -0.022 0.000 1.260 71 F HN 0.588 8.919 8.300 0.234 0.109 0.465 72 A N 1.449 124.423 122.820 0.258 0.000 1.929 72 A HA -0.019 nan 4.320 nan 0.000 0.216 72 A C -0.939 176.847 177.584 0.337 0.000 1.176 72 A CA 2.124 54.305 52.037 0.239 0.000 0.628 72 A CB 0.386 19.448 19.000 0.104 0.000 0.816 72 A HN 0.776 9.052 8.150 0.210 0.000 0.444 73 T N -7.915 106.749 114.554 0.184 0.000 2.864 73 T HA 0.227 nan 4.350 nan 0.000 0.299 73 T C -0.239 174.263 174.700 -0.331 0.000 1.166 73 T CA -1.799 60.257 62.100 -0.075 0.000 1.007 73 T CB 2.820 71.687 68.868 -0.001 0.000 1.219 73 T HN -0.818 7.535 8.240 0.188 0.000 0.506 74 L N 1.893 122.781 121.223 -0.558 0.000 2.093 74 L HA -0.164 nan 4.340 nan 0.000 0.208 74 L C 0.958 177.825 176.870 -0.005 0.000 1.085 74 L CA 3.200 57.845 54.840 -0.326 0.000 0.755 74 L CB -0.316 41.624 42.059 -0.199 0.000 0.904 74 L HN 0.882 8.729 8.230 -0.639 0.000 0.435 75 A N -0.910 121.979 122.820 0.116 0.000 1.877 75 A HA -0.400 nan 4.320 nan 0.000 0.216 75 A C 2.061 179.673 177.584 0.046 0.000 1.186 75 A CA 3.370 55.542 52.037 0.226 0.000 0.620 75 A CB -1.056 18.055 19.000 0.186 0.000 0.822 75 A HN -0.204 8.193 8.150 0.016 -0.237 0.443 76 E N -1.202 119.006 120.200 0.014 0.000 2.153 76 E HA -0.353 nan 4.350 nan 0.000 0.194 76 E C 2.505 179.016 176.600 -0.149 0.000 0.988 76 E CA 2.779 59.194 56.400 0.024 0.000 0.811 76 E CB -0.101 29.673 29.700 0.122 0.000 0.746 76 E HN -0.293 8.079 8.360 0.021 0.000 0.466 77 L N 0.157 121.147 121.223 -0.388 0.000 1.988 77 L HA -0.339 nan 4.340 nan 0.000 0.207 77 L C 1.667 178.179 176.870 -0.596 0.000 1.071 77 L CA 3.603 57.832 54.840 -1.017 0.000 0.744 77 L CB 0.056 41.653 42.059 -0.770 0.000 0.893 77 L HN -0.128 7.889 8.230 -0.242 0.068 0.433 78 V N -0.797 118.865 119.914 -0.420 0.000 2.287 78 V HA -0.587 nan 4.120 nan 0.000 0.248 78 V C 1.952 177.865 176.094 -0.301 0.000 1.053 78 V CA 4.402 66.424 62.300 -0.463 0.000 1.027 78 V CB -0.867 30.471 31.823 -0.808 0.000 0.646 78 V HN 0.115 8.080 8.190 -0.375 0.000 0.447 79 Q N -0.288 119.409 119.800 -0.171 0.000 2.096 79 Q HA -0.424 nan 4.340 nan 0.000 0.204 79 Q C 1.876 177.831 176.000 -0.076 0.000 0.982 79 Q CA 3.498 59.257 55.803 -0.074 0.000 0.850 79 Q CB -0.079 28.665 28.738 0.009 0.000 0.901 79 Q HN 0.118 8.298 8.270 -0.150 0.000 0.422 80 Y N 0.550 120.693 120.300 -0.263 0.000 2.097 80 Y HA -0.475 nan 4.550 nan 0.000 0.282 80 Y C 2.160 177.879 175.900 -0.300 0.000 1.152 80 Y CA 3.940 61.850 58.100 -0.316 0.000 1.136 80 Y CB 0.134 38.289 38.460 -0.509 0.000 0.975 80 Y HN -0.524 7.704 8.280 -0.087 0.000 0.498 81 Y N -3.908 116.298 120.300 -0.158 0.000 2.439 81 Y HA -0.283 nan 4.550 nan 0.000 0.292 81 Y C 2.827 178.507 175.900 -0.367 0.000 1.130 81 Y CA 2.944 60.894 58.100 -0.251 0.000 1.254 81 Y CB -0.442 37.877 38.460 -0.235 0.000 1.000 81 Y HN -0.429 7.663 8.280 -0.313 0.000 0.554 82 M N -2.643 116.819 119.600 -0.230 0.000 2.476 82 M HA -0.224 nan 4.480 nan 0.000 0.262 82 M C 0.623 176.698 176.300 -0.374 0.000 1.079 82 M CA 2.729 57.861 55.300 -0.280 0.000 1.104 82 M CB 0.157 32.665 32.600 -0.154 0.000 1.409 82 M HN -0.218 7.934 8.290 -0.208 0.013 0.467 83 E N -4.171 115.842 120.200 -0.311 0.000 2.548 83 E HA 0.106 nan 4.350 nan 0.000 0.206 83 E C -0.376 175.877 176.600 -0.579 0.000 1.005 83 E CA -0.476 55.715 56.400 -0.349 0.000 0.951 83 E CB 0.883 30.462 29.700 -0.201 0.000 1.035 83 E HN -0.617 7.464 8.360 -0.228 0.142 0.470 84 H N -0.576 118.181 119.070 -0.520 0.000 2.597 84 H HA 0.261 nan 4.556 nan 0.000 0.225 84 H C -1.744 173.449 175.328 -0.225 0.000 1.422 84 H CA -0.811 54.986 56.048 -0.418 0.000 1.335 84 H CB 0.636 29.965 29.762 -0.723 0.000 1.783 84 H HN -0.839 7.018 8.280 -0.411 0.176 0.513 85 H N 0.540 119.586 119.070 -0.041 0.000 2.871 85 H HA -0.299 nan 4.556 nan 0.000 0.355 85 H C 1.133 176.465 175.328 0.007 0.000 1.092 85 H CA 1.214 57.251 56.048 -0.018 0.000 1.420 85 H CB 0.271 30.001 29.762 -0.053 0.000 1.400 85 H HN -0.105 8.006 8.280 -0.283 0.000 0.604 86 G N 2.117 111.010 108.800 0.155 0.000 2.225 86 G HA2 -0.472 nan 3.960 nan 0.000 0.254 86 G HA3 -0.472 nan 3.960 nan 0.000 0.254 86 G C 0.134 175.097 174.900 0.105 0.000 0.988 86 G CA 0.892 46.049 45.100 0.095 0.000 0.625 86 G HN 0.778 9.168 8.290 0.167 0.000 0.527 87 Q N -0.564 119.329 119.800 0.156 0.000 2.259 87 Q HA -0.002 nan 4.340 nan 0.000 0.201 87 Q C 0.402 176.525 176.000 0.204 0.000 0.938 87 Q CA 1.003 56.939 55.803 0.223 0.000 0.872 87 Q CB 0.834 29.772 28.738 0.332 0.000 0.971 87 Q HN -0.600 7.670 8.270 0.168 0.101 0.494 88 L N 1.247 122.520 121.223 0.083 0.000 2.342 88 L HA 0.005 nan 4.340 nan 0.000 0.285 88 L C -2.068 174.757 176.870 -0.075 0.000 1.095 88 L CA -0.345 54.389 54.840 -0.176 0.000 0.843 88 L CB 0.033 41.792 42.059 -0.499 0.000 1.201 88 L HN -0.201 8.106 8.230 0.129 0.000 0.445 89 K N 5.296 125.675 120.400 -0.034 0.000 2.156 89 K HA 0.369 nan 4.320 nan 0.000 0.250 89 K C -1.058 175.545 176.600 0.005 0.000 0.955 89 K CA -0.819 55.467 56.287 -0.001 0.000 0.855 89 K CB 1.856 34.371 32.500 0.026 0.000 1.101 89 K HN 0.015 8.248 8.250 -0.029 0.000 0.434 90 E N 2.903 123.110 120.200 0.012 0.000 2.928 90 E HA 0.017 nan 4.350 nan 0.000 0.352 90 E C -0.011 176.620 176.600 0.051 0.000 0.523 90 E CA 0.676 57.090 56.400 0.024 0.000 2.011 90 E CB 1.270 30.975 29.700 0.008 0.000 1.898 90 E HN 0.612 8.857 8.360 0.010 0.120 0.516 91 K N 0.096 120.521 120.400 0.041 0.000 2.180 91 K HA 0.040 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 -0.586 55.732 56.287 0.050 0.000 1.037 91 K CB -1.034 31.490 32.500 0.041 0.000 1.624 91 K HN 0.280 8.547 8.250 0.028 0.000 0.382 92 N N 4.409 123.135 118.700 0.043 0.000 3.923 92 N HA -0.309 nan 4.740 nan 0.000 0.306 92 N C 0.877 176.403 175.510 0.026 0.000 2.133 92 N CA 0.608 53.677 53.050 0.032 0.000 2.838 92 N CB 0.508 39.012 38.487 0.028 0.000 0.433 92 N HN -0.083 8.330 8.380 0.055 0.000 0.727 93 G N 4.215 113.031 108.800 0.026 0.000 2.855 93 G HA2 -0.565 nan 3.960 nan 0.000 0.231 93 G HA3 -0.565 nan 3.960 nan 0.000 0.231 93 G C -0.029 174.883 174.900 0.020 0.000 1.242 93 G CA 0.866 45.980 45.100 0.024 0.000 0.789 93 G HN 0.367 8.674 8.290 0.028 0.000 0.517 94 D N 5.324 125.733 120.400 0.016 0.000 2.950 94 D HA -0.231 nan 4.640 nan 0.000 0.265 94 D C 0.401 176.704 176.300 0.004 0.000 1.405 94 D CA 1.279 55.285 54.000 0.009 0.000 0.998 94 D CB -0.711 40.094 40.800 0.009 0.000 1.154 94 D HN 0.045 8.347 8.370 0.018 0.078 0.586 95 V N -1.569 118.348 119.914 0.004 0.000 2.425 95 V HA 0.097 nan 4.120 nan 0.000 0.276 95 V C -0.400 175.686 176.094 -0.014 0.000 1.017 95 V CA -0.721 61.581 62.300 0.003 0.000 1.062 95 V CB -0.702 31.129 31.823 0.012 0.000 0.997 95 V HN -0.406 7.788 8.190 0.007 0.000 0.476 96 I N 8.449 129.000 120.570 -0.031 0.000 2.342 96 I HA 0.061 nan 4.170 nan 0.000 0.291 96 I C -0.590 175.501 176.117 -0.044 0.000 1.010 96 I CA -0.188 61.083 61.300 -0.049 0.000 1.308 96 I CB 0.949 38.902 38.000 -0.080 0.000 1.400 96 I HN 0.667 8.759 8.210 -0.036 0.096 0.488 97 E N 6.489 126.672 120.200 -0.027 0.000 2.151 97 E HA 0.113 nan 4.350 nan 0.000 0.275 97 E C -1.221 175.374 176.600 -0.008 0.000 0.936 97 E CA -1.471 54.940 56.400 0.019 0.000 0.777 97 E CB 1.733 31.393 29.700 -0.067 0.000 1.108 97 E HN 0.199 8.541 8.360 -0.031 0.000 0.401 98 L N 5.606 126.812 121.223 -0.029 0.000 2.270 98 L HA 0.181 nan 4.340 nan 0.000 0.286 98 L C -0.359 176.533 176.870 0.037 0.000 1.059 98 L CA -0.492 54.242 54.840 -0.176 0.000 0.839 98 L CB -0.586 41.089 42.059 -0.640 0.000 1.221 98 L HN 0.651 8.902 8.230 0.035 0.000 0.431 99 K N 4.409 124.864 120.400 0.092 0.000 2.312 99 K HA 0.090 nan 4.320 nan 0.000 0.206 99 K C -0.219 176.263 176.600 -0.198 0.000 1.121 99 K CA 1.183 57.332 56.287 -0.229 0.000 0.923 99 K CB 2.418 34.444 32.500 -0.789 0.000 1.162 99 K HN 0.499 8.768 8.250 0.184 0.092 0.478 100 Y N -1.476 118.970 120.300 0.244 0.000 2.363 100 Y HA 0.355 nan 4.550 nan 0.000 0.325 100 Y C -2.557 173.207 175.900 -0.226 0.000 0.984 100 Y CA -3.293 54.841 58.100 0.058 0.000 1.248 100 Y CB -0.227 38.253 38.460 0.033 0.000 1.116 100 Y HN 0.043 8.359 8.280 0.231 0.103 0.470 101 P HA 0.035 nan 4.420 nan 0.000 0.265 101 P C -1.572 175.614 177.300 -0.189 0.000 1.222 101 P CA -0.009 62.730 63.100 -0.601 0.000 0.767 101 P CB -0.036 31.571 31.700 -0.154 0.000 0.801 102 L N 6.711 127.826 121.223 -0.179 0.000 2.385 102 L HA 0.024 nan 4.340 nan 0.000 0.285 102 L C -1.347 175.625 176.870 0.170 0.000 1.125 102 L CA -1.065 53.786 54.840 0.018 0.000 0.890 102 L CB -0.361 41.706 42.059 0.014 0.000 1.251 102 L HN 0.365 8.368 8.230 -0.378 0.000 0.445 103 N N 5.948 124.707 118.700 0.098 0.000 2.415 103 N HA 0.025 nan 4.740 nan 0.000 0.248 103 N C -1.048 174.421 175.510 -0.068 0.000 1.271 103 N CA 0.074 53.143 53.050 0.033 0.000 0.913 103 N CB 0.676 39.163 38.487 0.000 0.000 1.129 103 N HN -0.303 8.112 8.380 0.060 0.000 0.444 104 C N 0.615 119.709 119.300 -0.343 0.000 2.350 104 C HA 0.170 nan 4.460 nan 0.000 0.348 104 C C 0.410 175.264 174.990 -0.227 0.000 1.260 104 C CA -1.297 57.416 59.018 -0.508 0.000 1.966 104 C CB 0.806 28.055 27.740 -0.818 0.000 2.380 104 C HN 0.220 8.167 8.230 -0.308 0.098 0.535 105 A N 6.243 128.982 122.820 -0.135 0.000 2.147 105 A HA 0.071 nan 4.320 nan 0.000 0.211 105 A C -0.853 176.651 177.584 -0.135 0.000 1.160 105 A CA 0.446 52.435 52.037 -0.080 0.000 0.781 105 A CB 0.198 19.203 19.000 0.007 0.000 0.842 105 A HN 0.448 8.537 8.150 -0.102 0.000 0.475 106 D N 0.062 120.365 120.400 -0.162 0.000 2.450 106 D HA 0.010 nan 4.640 nan 0.000 0.247 106 D C -0.739 175.378 176.300 -0.304 0.000 1.162 106 D CA -1.938 51.944 54.000 -0.197 0.000 0.879 106 D CB 1.170 41.885 40.800 -0.143 0.000 1.163 106 D HN -0.875 7.351 8.370 -0.164 0.045 0.472 107 P HA 0.186 nan 4.420 nan 0.000 0.262 107 P C 0.355 177.253 177.300 -0.670 0.000 1.304 107 P CA 0.190 62.885 63.100 -0.675 0.000 0.859 107 P CB 0.736 31.830 31.700 -1.010 0.000 1.310 108 T N -2.127 112.200 114.554 -0.379 0.000 2.746 108 T HA -0.231 nan 4.350 nan 0.000 0.267 108 T C 1.182 175.844 174.700 -0.063 0.000 1.039 108 T CA 2.947 65.010 62.100 -0.062 0.000 1.142 108 T CB -0.524 68.350 68.868 0.010 0.000 0.866 108 T HN -0.405 7.697 8.240 -0.315 -0.051 0.444 109 S N -0.444 115.139 115.700 -0.194 0.000 2.660 109 S HA 0.097 nan 4.470 nan 0.000 0.227 109 S C -0.720 173.686 174.600 -0.322 0.000 0.948 109 S CA 0.316 58.376 58.200 -0.234 0.000 0.948 109 S CB -0.298 62.760 63.200 -0.237 0.000 0.779 109 S HN 0.092 8.276 8.310 -0.211 0.000 0.487 110 E N 1.324 121.252 120.200 -0.455 0.000 2.301 110 E HA 0.102 nan 4.350 nan 0.000 0.275 110 E C 0.372 176.601 176.600 -0.620 0.000 1.030 110 E CA -0.642 55.291 56.400 -0.779 0.000 0.852 110 E CB 0.637 29.343 29.700 -1.656 0.000 1.060 110 E HN -0.799 7.222 8.360 -0.403 0.096 0.401 111 R N 5.254 125.428 120.500 -0.542 0.000 2.120 111 R HA -0.220 nan 4.340 nan 0.000 0.234 111 R C 1.361 177.555 176.300 -0.175 0.000 1.123 111 R CA 3.929 59.870 56.100 -0.265 0.000 0.975 111 R CB -0.173 30.029 30.300 -0.163 0.000 0.866 111 R HN 0.672 8.611 8.270 -0.552 0.000 0.446 112 W N -7.057 114.178 121.300 -0.108 0.000 2.863 112 W HA -0.034 nan 4.660 nan 0.000 0.258 112 W C -0.736 175.672 176.519 -0.185 0.000 1.298 112 W CA -2.384 54.797 57.345 -0.275 0.000 1.451 112 W CB 0.027 29.264 29.460 -0.372 0.000 1.107 112 W HN -0.383 7.169 8.180 -0.996 0.030 0.641 113 F N 1.441 121.329 119.950 -0.103 0.000 2.438 113 F HA -0.161 nan 4.527 nan 0.000 0.356 113 F C -1.527 174.408 175.800 0.224 0.000 1.099 113 F CA 0.832 58.869 58.000 0.062 0.000 1.185 113 F CB 0.731 39.649 39.000 -0.137 0.000 1.115 113 F HN -0.770 7.241 8.300 -0.293 0.114 0.526 114 H N 5.048 123.761 119.070 -0.596 0.000 2.381 114 H HA 0.198 nan 4.556 nan 0.000 0.252 114 H C 1.069 176.046 175.328 -0.584 0.000 0.920 114 H CA -0.132 55.660 56.048 -0.427 0.000 1.100 114 H CB 3.028 32.703 29.762 -0.145 0.000 1.435 114 H HN 0.739 8.691 8.280 -0.546 0.000 0.454 115 G N 1.457 109.881 108.800 -0.626 0.000 2.668 115 G HA2 -0.448 nan 3.960 nan 0.000 0.266 115 G HA3 -0.448 nan 3.960 nan 0.000 0.266 115 G C -1.434 173.563 174.900 0.163 0.000 1.328 115 G CA 0.732 45.714 45.100 -0.197 0.000 0.911 115 G HN -0.702 7.126 8.290 -0.769 0.000 0.567 116 H N -4.414 114.627 119.070 -0.049 0.000 2.518 116 H HA -0.413 nan 4.556 nan 0.000 0.320 116 H C -1.811 173.504 175.328 -0.022 0.000 1.041 116 H CA 0.511 56.545 56.048 -0.025 0.000 1.129 116 H CB -2.030 27.723 29.762 -0.015 0.000 1.453 116 H HN 0.178 8.938 8.280 0.170 -0.378 0.399 117 L N -1.321 119.788 121.223 -0.189 0.000 2.436 117 L HA 0.314 nan 4.340 nan 0.000 0.268 117 L C -2.140 174.684 176.870 -0.077 0.000 0.974 117 L CA -1.302 53.416 54.840 -0.203 0.000 0.826 117 L CB 3.165 45.148 42.059 -0.126 0.000 1.291 117 L HN -0.613 7.574 8.230 -0.067 0.003 0.406 118 S N 4.770 120.427 115.700 -0.070 0.000 2.632 118 S HA 0.138 nan 4.470 nan 0.000 0.267 118 S C 1.118 175.723 174.600 0.008 0.000 1.276 118 S CA -1.089 57.090 58.200 -0.035 0.000 0.998 118 S CB 2.415 65.589 63.200 -0.043 0.000 0.953 118 S HN 0.275 8.524 8.310 -0.101 0.000 0.547 119 G N 1.082 109.881 108.800 -0.000 0.000 2.422 119 G HA2 -0.218 nan 3.960 nan 0.000 0.218 119 G HA3 -0.218 nan 3.960 nan 0.000 0.218 119 G C 0.747 175.697 174.900 0.083 0.000 1.146 119 G CA 2.252 47.370 45.100 0.029 0.000 0.769 119 G HN 0.732 9.003 8.290 -0.032 0.000 0.547 120 K N 0.545 120.957 120.400 0.019 0.000 2.228 120 K HA -0.118 nan 4.320 nan 0.000 0.202 120 K C 2.041 178.660 176.600 0.031 0.000 1.051 120 K CA 2.615 58.918 56.287 0.027 0.000 0.960 120 K CB -0.482 32.017 32.500 -0.002 0.000 0.743 120 K HN -0.674 7.569 8.250 -0.012 0.000 0.458 121 E N 0.923 121.132 120.200 0.015 0.000 2.072 121 E HA -0.240 nan 4.350 nan 0.000 0.190 121 E C 2.044 178.659 176.600 0.026 0.000 0.982 121 E CA 2.785 59.188 56.400 0.004 0.000 0.803 121 E CB -0.521 29.160 29.700 -0.032 0.000 0.755 121 E HN -0.157 8.206 8.360 0.005 0.000 0.453 122 A N -0.513 122.340 122.820 0.054 0.000 1.908 122 A HA -0.323 nan 4.320 nan 0.000 0.218 122 A C 2.151 179.776 177.584 0.069 0.000 1.181 122 A CA 3.422 55.505 52.037 0.077 0.000 0.627 122 A CB -0.847 18.219 19.000 0.111 0.000 0.818 122 A HN 0.502 8.575 8.150 0.051 0.108 0.445 123 E N -1.948 118.310 120.200 0.097 0.000 2.072 123 E HA -0.383 nan 4.350 nan 0.000 0.191 123 E C 2.786 179.413 176.600 0.046 0.000 0.985 123 E CA 2.953 59.400 56.400 0.078 0.000 0.801 123 E CB -0.251 29.516 29.700 0.111 0.000 0.750 123 E HN -0.484 7.876 8.360 0.128 0.077 0.452 124 K N -0.011 120.411 120.400 0.037 0.000 2.001 124 K HA -0.298 nan 4.320 nan 0.000 0.214 124 K C 2.601 179.213 176.600 0.021 0.000 1.050 124 K CA 2.876 59.176 56.287 0.022 0.000 0.934 124 K CB -0.260 32.247 32.500 0.012 0.000 0.718 124 K HN -0.266 7.941 8.250 0.041 0.067 0.443 125 L N -1.361 119.875 121.223 0.023 0.000 2.012 125 L HA -0.360 nan 4.340 nan 0.000 0.210 125 L C 2.222 179.109 176.870 0.029 0.000 1.073 125 L CA 3.195 58.050 54.840 0.024 0.000 0.748 125 L CB -0.205 41.874 42.059 0.035 0.000 0.891 125 L HN -0.001 8.244 8.230 0.024 0.000 0.431 126 L N -2.482 118.759 121.223 0.031 0.000 2.131 126 L HA -0.421 nan 4.340 nan 0.000 0.210 126 L C 2.436 179.320 176.870 0.025 0.000 1.092 126 L CA 3.417 58.271 54.840 0.024 0.000 0.759 126 L CB -0.446 41.619 42.059 0.010 0.000 0.903 126 L HN 0.200 8.450 8.230 0.034 0.000 0.435 127 T N 0.736 115.305 114.554 0.025 0.000 2.942 127 T HA -0.191 nan 4.350 nan 0.000 0.265 127 T C 2.440 177.152 174.700 0.021 0.000 1.062 127 T CA 3.984 66.098 62.100 0.024 0.000 1.139 127 T CB -0.580 68.302 68.868 0.024 0.000 0.883 127 T HN 0.224 8.289 8.240 0.026 0.191 0.468 128 E N 2.059 122.270 120.200 0.018 0.000 2.028 128 E HA -0.129 nan 4.350 nan 0.000 0.190 128 E C 1.691 178.301 176.600 0.016 0.000 0.984 128 E CA 2.676 59.085 56.400 0.014 0.000 0.800 128 E CB 0.419 30.125 29.700 0.011 0.000 0.758 128 E HN 0.146 8.293 8.360 0.020 0.224 0.448 129 K N -4.597 115.814 120.400 0.018 0.000 2.391 129 K HA 0.188 nan 4.320 nan 0.000 0.197 129 K C 0.058 176.671 176.600 0.022 0.000 1.087 129 K CA -0.350 55.948 56.287 0.018 0.000 1.012 129 K CB 1.663 34.172 32.500 0.015 0.000 0.925 129 K HN 0.038 8.299 8.250 0.019 0.000 0.547 130 G N -0.826 107.989 108.800 0.025 0.000 2.572 130 G HA2 0.001 nan 3.960 nan 0.000 0.261 130 G HA3 0.001 nan 3.960 nan 0.000 0.261 130 G C -1.140 173.782 174.900 0.038 0.000 1.197 130 G CA -0.678 44.439 45.100 0.028 0.000 0.870 130 G HN -0.714 7.591 8.290 0.025 0.000 0.548 131 K N -1.480 118.948 120.400 0.047 0.000 2.283 131 K HA 0.269 nan 4.320 nan 0.000 0.257 131 K C -1.647 175.014 176.600 0.102 0.000 1.066 131 K CA -1.918 54.411 56.287 0.070 0.000 0.891 131 K CB 4.118 36.657 32.500 0.065 0.000 1.438 131 K HN 0.120 8.394 8.250 0.040 0.000 0.464 132 H N 0.125 119.211 119.070 0.027 0.000 3.094 132 H HA -0.421 nan 4.556 nan 0.000 0.320 132 H C 1.138 176.493 175.328 0.045 0.000 1.000 132 H CA 2.393 58.458 56.048 0.028 0.000 1.413 132 H CB -0.349 29.425 29.762 0.020 0.000 1.405 132 H HN -0.263 8.480 8.280 0.196 -0.345 0.586 133 G N 6.940 115.505 108.800 -0.392 0.000 2.199 133 G HA2 -0.519 nan 3.960 nan 0.000 0.254 133 G HA3 -0.519 nan 3.960 nan 0.000 0.254 133 G C -0.286 174.628 174.900 0.023 0.000 0.982 133 G CA -0.044 44.868 45.100 -0.313 0.000 0.632 133 G HN 1.097 9.188 8.290 -0.154 0.106 0.529 134 S N 3.925 119.652 115.700 0.044 0.000 2.549 134 S HA 0.369 nan 4.470 nan 0.000 0.283 134 S C -1.238 173.453 174.600 0.153 0.000 1.320 134 S CA 2.754 61.003 58.200 0.081 0.000 1.058 134 S CB 0.407 63.624 63.200 0.029 0.000 0.882 134 S HN -0.237 7.887 8.310 0.012 0.193 0.498 135 F N -0.223 119.706 119.950 -0.036 0.000 2.726 135 F HA 1.110 nan 4.527 nan 0.000 0.324 135 F C -2.993 172.783 175.800 -0.039 0.000 1.140 135 F CA -2.041 55.922 58.000 -0.061 0.000 0.964 135 F CB 3.045 41.984 39.000 -0.102 0.000 1.399 135 F HN 0.248 8.435 8.300 -0.188 0.000 0.491 136 L N -7.631 113.594 121.223 0.004 0.000 2.794 136 L HA 0.685 nan 4.340 nan 0.000 0.261 136 L C -2.503 174.397 176.870 0.049 0.000 0.989 136 L CA -0.181 54.570 54.840 -0.149 0.000 0.900 136 L CB 3.412 45.230 42.059 -0.403 0.000 1.473 136 L HN 0.085 8.423 8.230 0.180 0.000 0.414 137 V N 0.037 120.020 119.914 0.115 0.000 2.487 137 V HA 0.737 nan 4.120 nan 0.000 0.298 137 V C -1.522 174.699 176.094 0.210 0.000 1.028 137 V CA -0.983 61.466 62.300 0.247 0.000 0.860 137 V CB 1.409 33.478 31.823 0.410 0.000 0.991 137 V HN 0.844 8.989 8.190 0.111 0.112 0.427 138 R N 4.915 125.549 120.500 0.224 0.000 2.892 138 R HA 0.522 nan 4.340 nan 0.000 0.265 138 R C -1.383 175.076 176.300 0.264 0.000 1.025 138 R CA -2.572 53.617 56.100 0.148 0.000 0.982 138 R CB 2.237 32.580 30.300 0.071 0.000 1.185 138 R HN 0.834 9.251 8.270 0.246 0.000 0.484 139 E N 0.013 120.274 120.200 0.102 0.000 2.354 139 E HA 0.061 nan 4.350 nan 0.000 0.269 139 E C -0.711 175.826 176.600 -0.106 0.000 1.036 139 E CA 0.123 56.427 56.400 -0.160 0.000 0.876 139 E CB 0.706 30.332 29.700 -0.124 0.000 1.009 139 E HN 0.199 8.594 8.360 0.057 0.000 0.416 140 S N 2.694 118.295 115.700 -0.164 0.000 2.481 140 S HA -0.052 nan 4.470 nan 0.000 0.276 140 S C 0.569 175.126 174.600 -0.072 0.000 1.247 140 S CA 0.059 58.227 58.200 -0.055 0.000 1.053 140 S CB 0.623 63.837 63.200 0.024 0.000 0.925 140 S HN 0.164 8.176 8.310 -0.346 0.091 0.491 141 Q N 7.649 127.409 119.800 -0.067 0.000 2.269 141 Q HA -0.117 nan 4.340 nan 0.000 0.201 141 Q C 1.096 177.029 176.000 -0.111 0.000 0.946 141 Q CA 1.977 57.736 55.803 -0.073 0.000 0.877 141 Q CB -0.018 28.682 28.738 -0.062 0.000 0.963 141 Q HN 0.771 9.008 8.270 -0.055 0.000 0.472 142 S N 0.093 115.690 115.700 -0.172 0.000 2.499 142 S HA -0.197 nan 4.470 nan 0.000 0.206 142 S C 0.046 174.435 174.600 -0.351 0.000 1.165 142 S CA 1.475 59.462 58.200 -0.354 0.000 1.503 142 S CB 0.413 63.266 63.200 -0.578 0.000 1.004 142 S HN -0.100 8.127 8.310 -0.139 0.000 0.385 143 H N 0.702 119.762 119.070 -0.018 0.000 2.761 143 H HA 0.396 nan 4.556 nan 0.000 0.284 143 H C -2.032 173.281 175.328 -0.025 0.000 1.105 143 H CA -3.494 52.547 56.048 -0.013 0.000 1.352 143 H CB -0.722 29.040 29.762 -0.000 0.000 1.423 143 H HN -0.474 7.560 8.280 -0.409 0.000 0.464 144 P HA -0.050 nan 4.420 nan 0.000 0.276 144 P C -0.048 177.260 177.300 0.014 0.000 1.264 144 P CA 0.581 63.686 63.100 0.008 0.000 0.769 144 P CB -0.176 31.529 31.700 0.008 0.000 0.840 145 G N 4.633 113.407 108.800 -0.044 0.000 2.545 145 G HA2 -0.220 nan 3.960 nan 0.000 0.195 145 G HA3 -0.220 nan 3.960 nan 0.000 0.195 145 G C -0.720 174.172 174.900 -0.014 0.000 1.009 145 G CA -0.220 44.878 45.100 -0.003 0.000 0.703 145 G HN 0.200 8.419 8.290 -0.119 0.000 0.479 146 D N 2.084 122.480 120.400 -0.008 0.000 2.384 146 D HA 0.458 nan 4.640 nan 0.000 0.244 146 D C -1.450 174.741 176.300 -0.182 0.000 1.251 146 D CA 0.644 54.696 54.000 0.087 0.000 0.961 146 D CB 0.788 41.674 40.800 0.144 0.000 1.116 146 D HN -0.605 7.710 8.370 0.020 0.067 0.484 147 F N -2.516 117.560 119.950 0.210 0.000 2.640 147 F HA 0.732 nan 4.527 nan 0.000 0.324 147 F C -1.008 174.884 175.800 0.154 0.000 1.077 147 F CA -0.787 57.329 58.000 0.195 0.000 0.965 147 F CB 4.918 44.043 39.000 0.208 0.000 1.351 147 F HN 0.447 9.002 8.300 0.425 0.000 0.487 148 V N -0.981 119.131 119.914 0.329 0.000 2.638 148 V HA 0.620 nan 4.120 nan 0.000 0.306 148 V C -2.070 174.137 176.094 0.189 0.000 1.052 148 V CA -1.181 61.253 62.300 0.224 0.000 0.885 148 V CB 2.537 34.479 31.823 0.199 0.000 0.999 148 V HN 1.001 9.329 8.190 0.396 0.099 0.424 149 L N 7.243 128.535 121.223 0.115 0.000 2.262 149 L HA 0.654 nan 4.340 nan 0.000 0.288 149 L C -1.765 175.111 176.870 0.010 0.000 1.035 149 L CA -1.557 53.315 54.840 0.052 0.000 0.820 149 L CB 1.826 43.864 42.059 -0.036 0.000 1.204 149 L HN 0.591 8.883 8.230 0.104 0.000 0.424 150 S N 8.476 124.166 115.700 -0.017 0.000 2.462 150 S HA 0.628 nan 4.470 nan 0.000 0.294 150 S C -1.696 172.850 174.600 -0.089 0.000 1.144 150 S CA -0.136 57.952 58.200 -0.186 0.000 1.088 150 S CB 1.038 64.073 63.200 -0.274 0.000 1.009 150 S HN 0.530 8.859 8.310 0.032 0.000 0.484 151 V N 3.922 123.766 119.914 -0.117 0.000 2.638 151 V HA 0.512 nan 4.120 nan 0.000 0.306 151 V C -1.326 174.753 176.094 -0.025 0.000 1.052 151 V CA -1.401 60.886 62.300 -0.022 0.000 0.885 151 V CB 2.964 34.767 31.823 -0.032 0.000 0.999 151 V HN 1.070 9.034 8.190 -0.198 0.107 0.424 152 R N 5.371 125.883 120.500 0.021 0.000 2.216 152 R HA 0.494 nan 4.340 nan 0.000 0.332 152 R C -1.119 175.249 176.300 0.114 0.000 1.056 152 R CA -1.083 55.046 56.100 0.047 0.000 0.901 152 R CB 1.586 31.918 30.300 0.053 0.000 1.039 152 R HN 0.753 9.050 8.270 0.044 0.000 0.456 153 T N 8.589 123.224 114.554 0.135 0.000 2.797 153 T HA 0.641 nan 4.350 nan 0.000 0.279 153 T C -1.677 173.104 174.700 0.136 0.000 0.991 153 T CA -0.432 61.820 62.100 0.254 0.000 0.979 153 T CB 2.268 71.223 68.868 0.145 0.000 0.943 153 T HN 0.420 8.707 8.240 0.078 0.000 0.444 154 G N 2.102 110.929 108.800 0.046 0.000 2.682 154 G HA2 0.361 nan 3.960 nan 0.000 0.303 154 G HA3 0.361 nan 3.960 nan 0.000 0.303 154 G C -2.118 172.646 174.900 -0.227 0.000 1.341 154 G CA -0.170 44.895 45.100 -0.057 0.000 0.784 154 G HN -0.562 7.632 8.290 -0.159 0.000 0.497 162 D N -0.426 119.983 120.400 0.014 0.000 2.441 162 D HA -0.079 nan 4.640 nan 0.000 0.243 162 D C 0.472 176.776 176.300 0.007 0.000 1.257 162 D CA -0.460 53.550 54.000 0.017 0.000 1.027 162 D CB -0.205 40.619 40.800 0.041 0.000 1.084 162 D HN 0.173 8.554 8.370 0.018 0.000 0.514 163 G N 4.376 113.169 108.800 -0.012 0.000 2.444 163 G HA2 -0.344 nan 3.960 nan 0.000 0.289 163 G HA3 -0.344 nan 3.960 nan 0.000 0.289 163 G C 0.195 175.089 174.900 -0.009 0.000 0.814 163 G CA 0.413 45.504 45.100 -0.014 0.000 1.820 163 G HN 0.027 8.645 8.290 -0.020 -0.340 0.453 164 K N 5.176 125.580 120.400 0.005 0.000 1.989 164 K HA -0.679 nan 4.320 nan 0.000 0.230 164 K C 1.255 177.864 176.600 0.015 0.000 0.983 164 K CA 2.929 59.226 56.287 0.016 0.000 1.003 164 K CB -0.319 32.190 32.500 0.015 0.000 0.756 164 K HN 0.101 8.337 8.250 0.007 0.019 0.465 165 S N -3.512 112.193 115.700 0.008 0.000 4.158 165 S HA -0.338 nan 4.470 nan 0.000 0.578 165 S C -0.918 173.693 174.600 0.018 0.000 1.866 165 S CA 2.175 60.379 58.200 0.007 0.000 4.250 165 S CB -0.399 62.798 63.200 -0.005 0.000 0.204 165 S HN -0.025 8.289 8.310 0.006 0.000 0.455 166 K N 1.631 122.047 120.400 0.026 0.000 2.532 166 K HA 0.250 nan 4.320 nan 0.000 0.265 166 K C -2.715 173.902 176.600 0.029 0.000 0.948 166 K CA -0.760 55.544 56.287 0.029 0.000 0.842 166 K CB 3.208 35.723 32.500 0.026 0.000 1.392 166 K HN -0.146 8.123 8.250 0.032 0.000 0.436 167 V N 2.307 122.235 119.914 0.024 0.000 2.604 167 V HA 0.586 nan 4.120 nan 0.000 0.305 167 V C -0.789 175.292 176.094 -0.022 0.000 1.043 167 V CA -1.269 61.019 62.300 -0.020 0.000 0.888 167 V CB 2.729 34.529 31.823 -0.039 0.000 0.995 167 V HN 0.365 8.578 8.190 0.038 0.000 0.429 168 T N 8.183 122.688 114.554 -0.082 0.000 2.856 168 T HA 0.522 nan 4.350 nan 0.000 0.283 168 T C -1.699 172.915 174.700 -0.144 0.000 1.008 168 T CA -0.945 61.139 62.100 -0.027 0.000 0.997 168 T CB 2.394 71.258 68.868 -0.007 0.000 0.992 168 T HN 0.747 8.819 8.240 -0.101 0.108 0.454 169 H N 4.107 123.185 119.070 0.013 0.000 2.481 169 H HA 0.539 nan 4.556 nan 0.000 0.333 169 H C -0.818 174.514 175.328 0.007 0.000 1.066 169 H CA -0.917 55.141 56.048 0.017 0.000 1.209 169 H CB 1.062 30.839 29.762 0.025 0.000 1.445 169 H HN 0.261 8.695 8.280 0.257 0.000 0.488 170 V N 6.547 126.516 119.914 0.091 0.000 2.334 170 V HA 0.212 nan 4.120 nan 0.000 0.281 170 V C -0.662 175.472 176.094 0.066 0.000 1.016 170 V CA -1.205 61.116 62.300 0.035 0.000 0.832 170 V CB 0.831 32.620 31.823 -0.057 0.000 0.999 170 V HN 1.035 9.154 8.190 0.065 0.110 0.439 171 M N 5.867 125.512 119.600 0.076 0.000 2.248 171 M HA -0.063 nan 4.480 nan 0.000 0.343 171 M C -0.150 176.208 176.300 0.098 0.000 1.243 171 M CA 0.548 55.907 55.300 0.099 0.000 1.025 171 M CB -0.672 31.973 32.600 0.074 0.000 1.759 171 M HN 0.429 8.756 8.290 0.062 0.000 0.452 172 I N 4.014 124.684 120.570 0.166 0.000 2.382 172 I HA 0.210 nan 4.170 nan 0.000 0.286 172 I C -1.890 174.385 176.117 0.264 0.000 1.002 172 I CA -0.993 60.436 61.300 0.215 0.000 1.135 172 I CB 1.949 40.111 38.000 0.271 0.000 1.288 172 I HN 0.897 9.134 8.210 0.199 0.092 0.448 173 R N 8.323 128.939 120.500 0.194 0.000 2.410 173 R HA 0.316 nan 4.340 nan 0.000 0.288 173 R C -2.183 174.225 176.300 0.180 0.000 1.051 173 R CA -0.614 55.572 56.100 0.144 0.000 1.021 173 R CB 1.783 32.112 30.300 0.049 0.000 1.032 173 R HN 0.705 9.072 8.270 0.162 0.000 0.481 174 C N 7.020 126.404 119.300 0.140 0.000 2.291 174 C HA 0.553 nan 4.460 nan 0.000 0.322 174 C C -1.189 173.757 174.990 -0.074 0.000 1.205 174 C CA -1.993 57.013 59.018 -0.020 0.000 1.495 174 C CB -0.954 26.870 27.740 0.140 0.000 2.127 174 C HN 0.034 8.556 8.230 0.135 -0.210 0.452 175 Q N 7.176 126.895 119.800 -0.135 0.000 2.340 175 Q HA 0.252 nan 4.340 nan 0.000 0.268 175 Q C -0.163 175.766 176.000 -0.118 0.000 1.031 175 Q CA -1.793 53.955 55.803 -0.092 0.000 0.804 175 Q CB 2.697 31.396 28.738 -0.066 0.000 1.286 175 Q HN 0.654 8.804 8.270 -0.199 0.000 0.448 176 E N 3.712 123.863 120.200 -0.081 0.000 2.238 176 E HA -0.392 nan 4.350 nan 0.000 0.219 176 E C -0.548 175.991 176.600 -0.102 0.000 1.275 176 E CA 0.818 57.174 56.400 -0.072 0.000 0.714 176 E CB -1.153 28.511 29.700 -0.059 0.000 1.154 176 E HN 0.761 9.086 8.360 -0.058 0.000 0.363 177 L N -5.554 115.586 121.223 -0.138 0.000 4.001 177 L HA -0.390 nan 4.340 nan 0.000 0.413 177 L C -1.501 175.194 176.870 -0.291 0.000 1.185 177 L CA 1.298 56.032 54.840 -0.177 0.000 0.963 177 L CB -1.050 40.978 42.059 -0.052 0.000 1.976 177 L HN 0.399 8.556 8.230 -0.118 0.003 0.939 178 K N -2.877 117.285 120.400 -0.397 0.000 2.395 178 K HA 0.514 nan 4.320 nan 0.000 0.247 178 K C -2.015 174.246 176.600 -0.565 0.000 0.973 178 K CA -1.292 54.769 56.287 -0.376 0.000 0.828 178 K CB 4.046 36.453 32.500 -0.155 0.000 1.272 178 K HN -0.258 7.621 8.250 -0.313 0.183 0.439 179 Y N -1.311 119.051 120.300 0.104 0.000 2.446 179 Y HA 0.578 nan 4.550 nan 0.000 0.345 179 Y C -1.581 174.440 175.900 0.202 0.000 0.984 179 Y CA -1.483 56.708 58.100 0.152 0.000 1.058 179 Y CB 2.841 41.390 38.460 0.149 0.000 1.220 179 Y HN 0.855 9.109 8.280 0.141 0.110 0.455 180 D N -1.363 119.207 120.400 0.284 0.000 2.583 180 D HA 0.460 nan 4.640 nan 0.000 0.248 180 D C -1.069 175.348 176.300 0.194 0.000 1.209 180 D CA -1.087 53.062 54.000 0.248 0.000 0.848 180 D CB 4.144 44.999 40.800 0.091 0.000 1.431 180 D HN 0.417 8.937 8.370 0.251 0.000 0.436 181 V N -7.224 112.783 119.914 0.155 0.000 3.170 181 V HA 0.450 nan 4.120 nan 0.000 0.354 181 V C 0.315 176.421 176.094 0.020 0.000 1.350 181 V CA -2.328 59.993 62.300 0.036 0.000 1.244 181 V CB -1.819 29.924 31.823 -0.133 0.000 1.222 181 V HN 0.726 9.049 8.190 0.222 0.000 0.478 182 G N -0.856 107.966 108.800 0.036 0.000 2.253 182 G HA2 -0.172 nan 3.960 nan 0.000 0.209 182 G HA3 -0.172 nan 3.960 nan 0.000 0.209 182 G C -0.892 174.016 174.900 0.014 0.000 0.997 182 G CA 0.039 45.148 45.100 0.015 0.000 0.640 182 G HN 0.113 8.625 8.290 0.054 -0.190 0.496 183 G N -1.271 107.546 108.800 0.029 0.000 2.466 183 G HA2 -0.020 nan 3.960 nan 0.000 0.291 183 G HA3 -0.020 nan 3.960 nan 0.000 0.291 183 G C -1.051 173.870 174.900 0.035 0.000 1.460 183 G CA -0.071 45.041 45.100 0.020 0.000 0.791 183 G HN -0.447 7.804 8.290 0.049 0.068 0.505 184 G N 0.514 109.318 108.800 0.006 0.000 2.520 184 G HA2 -0.302 nan 3.960 nan 0.000 0.248 184 G HA3 -0.302 nan 3.960 nan 0.000 0.248 184 G C -1.089 173.748 174.900 -0.106 0.000 1.161 184 G CA -0.427 44.667 45.100 -0.009 0.000 0.946 184 G HN -0.014 8.272 8.290 -0.006 0.000 0.565 185 E N 2.537 122.616 120.200 -0.203 0.000 2.366 185 E HA -0.041 nan 4.350 nan 0.000 0.266 185 E C -0.607 175.574 176.600 -0.700 0.000 1.051 185 E CA -0.221 55.869 56.400 -0.516 0.000 0.884 185 E CB 0.762 29.973 29.700 -0.815 0.000 1.006 185 E HN 0.166 8.460 8.360 -0.111 0.000 0.417 186 R N 2.985 123.096 120.500 -0.648 0.000 2.288 186 R HA 0.214 nan 4.340 nan 0.000 0.326 186 R C -0.518 175.469 176.300 -0.521 0.000 0.959 186 R CA -0.843 54.978 56.100 -0.464 0.000 0.834 186 R CB 1.026 31.192 30.300 -0.224 0.000 1.157 186 R HN 0.191 8.150 8.270 -0.518 0.000 0.470 187 F N 3.942 123.903 119.950 0.018 0.000 2.379 187 F HA 0.169 nan 4.527 nan 0.000 0.332 187 F C 0.843 176.712 175.800 0.114 0.000 1.096 187 F CA -0.998 57.026 58.000 0.039 0.000 1.105 187 F CB 1.274 40.298 39.000 0.040 0.000 1.189 187 F HN 0.686 8.968 8.300 -0.030 0.000 0.515 188 D N -0.218 120.335 120.400 0.254 0.000 2.347 188 D HA -0.147 nan 4.640 nan 0.000 0.215 188 D C -0.775 175.708 176.300 0.305 0.000 0.976 188 D CA 2.489 56.609 54.000 0.200 0.000 0.884 188 D CB 0.348 41.214 40.800 0.111 0.000 0.915 188 D HN 0.577 9.084 8.370 0.229 0.000 0.526 189 S N -7.172 108.707 115.700 0.299 0.000 2.550 189 S HA 0.245 nan 4.470 nan 0.000 0.270 189 S C -0.293 174.221 174.600 -0.143 0.000 1.145 189 S CA -1.878 56.372 58.200 0.084 0.000 0.852 189 S CB 3.554 66.758 63.200 0.008 0.000 1.119 189 S HN -1.009 7.434 8.310 0.320 0.059 0.465 190 L N 2.419 123.322 121.223 -0.533 0.000 2.042 190 L HA -0.375 nan 4.340 nan 0.000 0.210 190 L C 1.573 178.298 176.870 -0.243 0.000 1.076 190 L CA 4.020 58.554 54.840 -0.510 0.000 0.749 190 L CB -0.361 41.349 42.059 -0.581 0.000 0.893 190 L HN 0.875 8.681 8.230 -0.706 0.000 0.432 191 T N 0.908 115.453 114.554 -0.015 0.000 2.720 191 T HA -0.423 nan 4.350 nan 0.000 0.268 191 T C 2.054 176.707 174.700 -0.079 0.000 1.037 191 T CA 5.075 67.248 62.100 0.122 0.000 1.144 191 T CB -0.930 68.032 68.868 0.156 0.000 0.864 191 T HN 0.066 8.284 8.240 -0.037 0.000 0.444 192 D N 2.307 122.646 120.400 -0.101 0.000 2.144 192 D HA -0.166 nan 4.640 nan 0.000 0.200 192 D C 1.944 177.928 176.300 -0.528 0.000 0.978 192 D CA 3.555 57.467 54.000 -0.147 0.000 0.833 192 D CB -0.567 40.262 40.800 0.049 0.000 0.961 192 D HN -0.090 8.146 8.370 -0.060 0.098 0.470 193 L N 0.490 121.316 121.223 -0.661 0.000 1.989 193 L HA -0.396 nan 4.340 nan 0.000 0.211 193 L C 1.835 178.372 176.870 -0.554 0.000 1.071 193 L CA 3.484 57.736 54.840 -0.979 0.000 0.749 193 L CB 0.083 41.913 42.059 -0.382 0.000 0.890 193 L HN -0.257 7.766 8.230 -0.346 0.000 0.431 194 V N -1.055 118.563 119.914 -0.493 0.000 2.358 194 V HA -0.517 nan 4.120 nan 0.000 0.246 194 V C 2.591 178.446 176.094 -0.398 0.000 1.047 194 V CA 4.484 66.458 62.300 -0.543 0.000 1.035 194 V CB -0.939 30.298 31.823 -0.978 0.000 0.658 194 V HN 0.308 8.200 8.190 -0.496 0.000 0.452 195 E N -1.190 118.832 120.200 -0.296 0.000 2.110 195 E HA -0.333 nan 4.350 nan 0.000 0.193 195 E C 2.208 178.664 176.600 -0.239 0.000 0.988 195 E CA 2.817 59.099 56.400 -0.195 0.000 0.804 195 E CB -0.825 28.812 29.700 -0.104 0.000 0.745 195 E HN 0.254 8.335 8.360 -0.287 0.107 0.458 196 H N 1.066 119.877 119.070 -0.431 0.000 2.357 196 H HA -0.253 nan 4.556 nan 0.000 0.301 196 H C 2.515 177.519 175.328 -0.540 0.000 1.082 196 H CA 4.223 59.968 56.048 -0.506 0.000 1.342 196 H CB 0.679 29.977 29.762 -0.772 0.000 1.389 196 H HN 0.008 8.082 8.280 -0.343 0.000 0.511 197 Y N -3.325 116.810 120.300 -0.275 0.000 2.511 197 Y HA -0.040 nan 4.550 nan 0.000 0.279 197 Y C 1.366 177.067 175.900 -0.333 0.000 1.157 197 Y CA 1.447 59.385 58.100 -0.270 0.000 1.300 197 Y CB -0.635 37.699 38.460 -0.209 0.000 1.052 197 Y HN -0.230 7.859 8.280 -0.318 0.000 0.529 198 K N -0.787 119.454 120.400 -0.264 0.000 2.103 198 K HA -0.260 nan 4.320 nan 0.000 0.204 198 K C 1.414 177.893 176.600 -0.202 0.000 1.052 198 K CA 2.712 58.843 56.287 -0.261 0.000 0.945 198 K CB -0.013 32.346 32.500 -0.235 0.000 0.722 198 K HN 0.076 7.952 8.250 -0.289 0.201 0.443 199 K N -3.789 116.469 120.400 -0.236 0.000 2.262 199 K HA -0.085 nan 4.320 nan 0.000 0.200 199 K C 0.634 177.098 176.600 -0.227 0.000 1.049 199 K CA 1.391 57.552 56.287 -0.210 0.000 0.979 199 K CB 0.924 33.295 32.500 -0.214 0.000 0.773 199 K HN -0.523 7.560 8.250 -0.279 0.000 0.474 200 N N 0.058 118.566 118.700 -0.319 0.000 2.904 200 N HA 0.324 nan 4.740 nan 0.000 0.257 200 N C -2.755 172.715 175.510 -0.067 0.000 1.363 200 N CA -1.831 51.072 53.050 -0.244 0.000 0.856 200 N CB 0.389 38.616 38.487 -0.433 0.000 1.166 200 N HN -0.424 7.598 8.380 -0.422 0.105 0.499 201 P HA -0.071 nan 4.420 nan 0.000 0.266 201 P C -0.981 176.351 177.300 0.052 0.000 1.215 201 P CA 0.106 63.205 63.100 -0.001 0.000 0.763 201 P CB 0.494 32.169 31.700 -0.042 0.000 0.806 202 M N 4.548 124.189 119.600 0.069 0.000 2.261 202 M HA -0.220 nan 4.480 nan 0.000 0.350 202 M C -0.425 175.873 176.300 -0.003 0.000 1.343 202 M CA 1.171 56.480 55.300 0.014 0.000 1.003 202 M CB 0.157 32.679 32.600 -0.130 0.000 1.848 202 M HN 0.270 8.609 8.290 0.081 0.000 0.456 203 V N 3.340 123.262 119.914 0.013 0.000 2.435 203 V HA 0.321 nan 4.120 nan 0.000 0.290 203 V C -0.139 175.958 176.094 0.004 0.000 1.030 203 V CA -1.690 60.615 62.300 0.008 0.000 0.881 203 V CB 0.469 32.301 31.823 0.016 0.000 0.983 203 V HN 0.001 8.209 8.190 0.030 0.000 0.445 204 E N 6.392 126.593 120.200 0.002 0.000 2.360 204 E HA 0.030 nan 4.350 nan 0.000 0.269 204 E C 0.048 176.652 176.600 0.006 0.000 1.022 204 E CA -0.468 55.933 56.400 0.002 0.000 0.887 204 E CB 1.090 30.792 29.700 0.004 0.000 0.990 204 E HN 0.739 8.997 8.360 0.003 0.104 0.426 205 T N 6.521 121.078 114.554 0.006 0.000 2.972 205 T HA -0.150 nan 4.350 nan 0.000 0.245 205 T C -0.430 174.274 174.700 0.006 0.000 0.977 205 T CA 1.892 63.996 62.100 0.007 0.000 1.266 205 T CB -0.934 67.938 68.868 0.007 0.000 0.985 205 T HN 0.783 9.026 8.240 0.005 0.000 0.605 206 L N 4.918 126.145 121.223 0.006 0.000 2.403 206 L HA 0.014 nan 4.340 nan 0.000 0.511 206 L C -0.064 176.809 176.870 0.004 0.000 0.779 206 L CA 0.919 55.762 54.840 0.005 0.000 2.104 206 L CB 0.671 42.733 42.059 0.005 0.000 1.514 206 L HN 0.318 8.528 8.230 0.006 0.024 0.459 207 G N -1.129 107.674 108.800 0.005 0.000 2.797 207 G HA2 -0.246 nan 3.960 nan 0.000 0.195 207 G HA3 -0.246 nan 3.960 nan 0.000 0.195 207 G C -0.993 173.911 174.900 0.006 0.000 1.026 207 G CA 0.382 45.485 45.100 0.005 0.000 0.759 207 G HN -0.192 7.983 8.290 0.006 0.119 0.475 208 T N 3.681 118.239 114.554 0.007 0.000 2.871 208 T HA -0.046 nan 4.350 nan 0.000 0.296 208 T C -0.542 174.168 174.700 0.016 0.000 0.998 208 T CA 1.413 63.520 62.100 0.012 0.000 1.162 208 T CB 0.475 69.350 68.868 0.013 0.000 0.947 208 T HN -0.255 7.988 8.240 0.006 0.000 0.536 209 V N 6.322 126.253 119.914 0.028 0.000 2.368 209 V HA 0.310 nan 4.120 nan 0.000 0.266 209 V C 0.333 176.447 176.094 0.033 0.000 1.045 209 V CA -0.673 61.642 62.300 0.026 0.000 0.899 209 V CB -0.260 31.581 31.823 0.030 0.000 1.006 209 V HN 0.314 8.523 8.190 0.032 0.000 0.470 210 L N 9.010 130.230 121.223 -0.004 0.000 2.376 210 L HA -0.035 nan 4.340 nan 0.000 0.250 210 L C -0.672 176.149 176.870 -0.083 0.000 1.335 210 L CA -0.547 54.273 54.840 -0.035 0.000 1.214 210 L CB -2.295 39.723 42.059 -0.068 0.000 1.395 210 L HN 0.548 8.771 8.230 -0.011 0.000 0.424 211 Q N 1.029 120.785 119.800 -0.073 0.000 2.286 211 Q HA -0.137 nan 4.340 nan 0.000 0.267 211 Q C -0.682 175.185 176.000 -0.222 0.000 1.028 211 Q CA -0.482 55.236 55.803 -0.143 0.000 0.901 211 Q CB 0.616 29.274 28.738 -0.133 0.000 1.183 211 Q HN -0.252 7.965 8.270 -0.005 0.050 0.392 212 L N 6.140 127.173 121.223 -0.315 0.000 2.358 212 L HA 0.028 nan 4.340 nan 0.000 0.274 212 L C -0.416 176.332 176.870 -0.204 0.000 1.136 212 L CA -0.121 54.401 54.840 -0.530 0.000 0.970 212 L CB -1.559 39.798 42.059 -1.170 0.000 1.314 212 L HN 0.550 8.603 8.230 -0.295 0.000 0.427 213 K N 3.063 123.471 120.400 0.013 0.000 2.029 213 K HA -0.082 nan 4.320 nan 0.000 0.205 213 K C -0.539 176.185 176.600 0.207 0.000 1.042 213 K CA 2.176 58.498 56.287 0.058 0.000 0.949 213 K CB 1.186 33.670 32.500 -0.027 0.000 0.740 213 K HN 0.383 8.538 8.250 0.025 0.110 0.442 214 Q N -3.881 116.080 119.800 0.268 0.000 2.379 214 Q HA 0.485 nan 4.340 nan 0.000 0.278 214 Q C -3.186 172.768 176.000 -0.076 0.000 1.068 214 Q CA -3.247 52.650 55.803 0.157 0.000 0.816 214 Q CB 0.921 29.697 28.738 0.063 0.000 1.387 214 Q HN -0.722 7.712 8.270 0.275 0.000 0.413 215 P HA 0.154 nan 4.420 nan 0.000 0.272 215 P C -1.086 176.074 177.300 -0.233 0.000 1.230 215 P CA -0.106 62.673 63.100 -0.536 0.000 0.788 215 P CB 0.567 32.104 31.700 -0.271 0.000 0.949 216 L N 1.481 122.587 121.223 -0.196 0.000 2.513 216 L HA -0.183 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 0.550 55.373 54.840 -0.028 0.000 0.895 216 L CB 0.491 42.585 42.059 0.059 0.000 1.147 216 L HN 0.123 8.157 8.230 -0.325 0.000 0.483 217 N N 5.142 123.849 118.700 0.013 0.000 2.452 217 N HA -0.091 nan 4.740 nan 0.000 0.266 217 N C 0.027 175.542 175.510 0.010 0.000 1.209 217 N CA 0.709 53.767 53.050 0.013 0.000 0.929 217 N CB 1.018 39.512 38.487 0.012 0.000 1.063 217 N HN 0.196 8.580 8.380 0.007 0.000 0.472 218 T N -0.227 114.325 114.554 -0.005 0.000 3.132 218 T HA 0.360 nan 4.350 nan 0.000 0.274 218 T C 0.445 175.133 174.700 -0.019 0.000 1.011 218 T CA 0.076 62.149 62.100 -0.046 0.000 0.899 218 T CB 0.095 68.879 68.868 -0.140 0.000 1.089 218 T HN 0.384 8.626 8.240 0.004 0.000 0.543 219 T N -0.869 113.695 114.554 0.017 0.000 2.964 219 T HA 0.204 nan 4.350 nan 0.000 0.250 219 T C 0.343 175.085 174.700 0.069 0.000 0.982 219 T CA 0.504 62.639 62.100 0.060 0.000 0.959 219 T CB 1.097 70.021 68.868 0.093 0.000 1.141 219 T HN 0.015 8.585 8.240 0.017 -0.320 0.494 220 R N 4.355 124.880 120.500 0.042 0.000 2.484 220 R HA -0.084 nan 4.340 nan 0.000 0.293 220 R C -0.335 175.984 176.300 0.032 0.000 1.023 220 R CA 1.428 57.548 56.100 0.033 0.000 1.037 220 R CB 0.248 30.560 30.300 0.020 0.000 0.951 220 R HN -0.440 8.192 8.270 0.031 -0.344 0.418 221 I N -0.102 120.490 120.570 0.036 0.000 3.206 221 I HA 0.468 nan 4.170 nan 0.000 0.313 221 I C -2.149 173.982 176.117 0.023 0.000 1.103 221 I CA -3.041 58.279 61.300 0.034 0.000 0.985 221 I CB 3.403 41.437 38.000 0.057 0.000 1.240 221 I HN 0.672 8.903 8.210 0.035 0.000 0.464 222 N N 0.301 119.013 118.700 0.020 0.000 2.458 222 N HA 0.027 nan 4.740 nan 0.000 0.270 222 N C 1.375 176.897 175.510 0.020 0.000 1.102 222 N CA 0.121 53.180 53.050 0.015 0.000 0.967 222 N CB 1.023 39.516 38.487 0.010 0.000 1.078 222 N HN 0.340 8.731 8.380 0.018 0.000 0.471 223 A N 8.186 131.015 122.820 0.016 0.000 1.917 223 A HA -0.334 nan 4.320 nan 0.000 0.219 223 A C 1.558 179.158 177.584 0.025 0.000 1.182 223 A CA 3.330 55.380 52.037 0.021 0.000 0.633 223 A CB -0.503 18.508 19.000 0.017 0.000 0.819 223 A HN 1.411 9.455 8.150 0.011 0.112 0.448 224 A N -2.946 119.884 122.820 0.016 0.000 2.042 224 A HA -0.244 nan 4.320 nan 0.000 0.222 224 A C 1.653 179.244 177.584 0.012 0.000 1.167 224 A CA 2.541 54.583 52.037 0.009 0.000 0.649 224 A CB -0.555 18.447 19.000 0.002 0.000 0.809 224 A HN -0.151 8.007 8.150 0.013 0.000 0.457 225 E N -3.225 116.986 120.200 0.019 0.000 2.476 225 E HA 0.176 nan 4.350 nan 0.000 0.196 225 E C 0.937 177.557 176.600 0.033 0.000 1.029 225 E CA -0.632 55.779 56.400 0.019 0.000 0.896 225 E CB 0.310 30.017 29.700 0.013 0.000 1.012 225 E HN -0.401 7.781 8.360 0.021 0.191 0.475 226 I N 0.622 121.224 120.570 0.054 0.000 2.335 226 I HA -0.529 nan 4.170 nan 0.000 0.251 226 I C 0.141 176.306 176.117 0.081 0.000 1.129 226 I CA 3.964 65.321 61.300 0.095 0.000 1.402 226 I CB 0.272 38.347 38.000 0.125 0.000 1.069 226 I HN -0.382 7.793 8.210 0.047 0.063 0.424 227 E N -0.816 119.415 120.200 0.053 0.000 2.110 227 E HA -0.422 nan 4.350 nan 0.000 0.193 227 E C 2.030 178.640 176.600 0.016 0.000 0.988 227 E CA 3.520 59.944 56.400 0.041 0.000 0.804 227 E CB -0.580 29.136 29.700 0.027 0.000 0.745 227 E HN 0.163 8.529 8.360 0.045 0.021 0.458 228 S N -0.298 115.405 115.700 0.005 0.000 2.368 228 S HA -0.255 nan 4.470 nan 0.000 0.224 228 S C 1.976 176.552 174.600 -0.039 0.000 1.029 228 S CA 3.191 61.383 58.200 -0.014 0.000 0.988 228 S CB -0.109 63.085 63.200 -0.011 0.000 0.838 228 S HN -0.437 7.864 8.310 0.012 0.017 0.462 229 R N 1.661 122.140 120.500 -0.036 0.000 2.083 229 R HA -0.297 nan 4.340 nan 0.000 0.237 229 R C 2.243 178.424 176.300 -0.199 0.000 1.137 229 R CA 3.090 59.135 56.100 -0.090 0.000 0.951 229 R CB -0.412 29.874 30.300 -0.024 0.000 0.851 229 R HN -0.614 7.653 8.270 -0.006 0.000 0.434 230 V N -0.451 119.388 119.914 -0.125 0.000 2.343 230 V HA -0.428 nan 4.120 nan 0.000 0.247 230 V C 2.555 178.571 176.094 -0.129 0.000 1.051 230 V CA 4.147 66.364 62.300 -0.137 0.000 1.036 230 V CB -0.997 30.877 31.823 0.084 0.000 0.654 230 V HN 0.460 8.527 8.190 -0.031 0.104 0.451 231 R N -0.342 120.117 120.500 -0.067 0.000 2.083 231 R HA -0.456 nan 4.340 nan 0.000 0.237 231 R C 1.882 178.126 176.300 -0.095 0.000 1.137 231 R CA 3.977 60.047 56.100 -0.050 0.000 0.951 231 R CB -0.168 30.116 30.300 -0.027 0.000 0.851 231 R HN -0.046 8.199 8.270 -0.041 0.000 0.434 232 E N -1.019 119.103 120.200 -0.129 0.000 2.118 232 E HA -0.300 nan 4.350 nan 0.000 0.195 232 E C 2.308 178.778 176.600 -0.216 0.000 0.992 232 E CA 2.688 59.003 56.400 -0.141 0.000 0.804 232 E CB -0.192 29.428 29.700 -0.132 0.000 0.741 232 E HN -0.329 7.960 8.360 -0.118 0.000 0.458 233 L N -2.435 118.547 121.223 -0.400 0.000 2.341 233 L HA -0.105 nan 4.340 nan 0.000 0.214 233 L C 1.837 178.435 176.870 -0.454 0.000 1.115 233 L CA 2.129 56.581 54.840 -0.647 0.000 0.820 233 L CB 0.317 41.506 42.059 -1.451 0.000 0.944 233 L HN -0.119 7.767 8.230 -0.421 0.092 0.452 234 S N -0.203 115.369 115.700 -0.213 0.000 2.414 234 S HA -0.160 nan 4.470 nan 0.000 0.227 234 S C 0.163 174.803 174.600 0.067 0.000 1.022 234 S CA 2.912 61.164 58.200 0.086 0.000 0.958 234 S CB 0.172 63.450 63.200 0.129 0.000 0.797 234 S HN -0.181 7.845 8.310 -0.225 0.150 0.493 247 F N 0.936 120.958 119.950 0.121 0.000 2.120 247 F HA -0.342 nan 4.527 nan 0.000 0.300 247 F C 0.513 176.455 175.800 0.237 0.000 1.095 247 F CA 3.739 61.845 58.000 0.176 0.000 1.249 247 F CB 0.101 39.200 39.000 0.164 0.000 0.995 247 F HN -0.244 8.123 8.300 0.111 0.000 0.480 248 W N -1.138 120.334 121.300 0.285 0.000 2.338 248 W HA -0.456 nan 4.660 nan 0.000 0.304 248 W C 1.132 177.762 176.519 0.184 0.000 1.212 248 W CA 4.887 62.365 57.345 0.222 0.000 1.264 248 W CB -0.048 29.511 29.460 0.166 0.000 1.142 248 W HN -0.196 8.341 8.180 0.595 0.001 0.512 249 E N -2.186 118.044 120.200 0.050 0.000 2.077 249 E HA -0.489 nan 4.350 nan 0.000 0.193 249 E C 1.932 178.429 176.600 -0.171 0.000 0.989 249 E CA 4.093 60.397 56.400 -0.160 0.000 0.800 249 E CB -0.722 28.983 29.700 0.007 0.000 0.746 249 E HN -0.077 8.451 8.360 0.281 0.000 0.452 250 E N -0.107 120.073 120.200 -0.034 0.000 2.150 250 E HA -0.278 nan 4.350 nan 0.000 0.193 250 E C 2.265 178.787 176.600 -0.130 0.000 0.985 250 E CA 2.625 59.025 56.400 -0.001 0.000 0.814 250 E CB -0.023 29.785 29.700 0.180 0.000 0.752 250 E HN -0.727 7.658 8.360 0.043 0.000 0.466 251 F N 1.020 120.706 119.950 -0.440 0.000 2.113 251 F HA -0.312 nan 4.527 nan 0.000 0.297 251 F C 1.638 177.146 175.800 -0.487 0.000 1.103 251 F CA 3.081 60.666 58.000 -0.692 0.000 1.248 251 F CB 0.228 38.867 39.000 -0.602 0.000 0.999 251 F HN -0.225 8.068 8.300 -0.012 0.000 0.475 252 E N -1.869 117.964 120.200 -0.612 0.000 2.150 252 E HA -0.346 nan 4.350 nan 0.000 0.193 252 E C 2.817 179.118 176.600 -0.498 0.000 0.985 252 E CA 3.284 59.288 56.400 -0.660 0.000 0.814 252 E CB -0.545 28.723 29.700 -0.721 0.000 0.752 252 E HN 0.105 8.150 8.360 -0.524 0.000 0.466 253 T N 2.222 116.545 114.554 -0.386 0.000 2.867 253 T HA -0.170 nan 4.350 nan 0.000 0.268 253 T C 1.962 176.497 174.700 -0.275 0.000 1.057 253 T CA 4.259 66.186 62.100 -0.290 0.000 1.136 253 T CB -0.416 68.330 68.868 -0.203 0.000 0.874 253 T HN -0.209 7.810 8.240 -0.368 0.000 0.466 254 L N 0.044 121.084 121.223 -0.305 0.000 2.072 254 L HA -0.193 nan 4.340 nan 0.000 0.205 254 L C 1.933 178.593 176.870 -0.350 0.000 1.079 254 L CA 2.796 57.475 54.840 -0.268 0.000 0.752 254 L CB -0.169 41.756 42.059 -0.223 0.000 0.906 254 L HN -0.566 7.470 8.230 -0.323 0.000 0.436 255 Q N -1.400 118.066 119.800 -0.556 0.000 2.061 255 Q HA -0.421 nan 4.340 nan 0.000 0.204 255 Q C 2.653 178.405 176.000 -0.413 0.000 0.984 255 Q CA 2.915 58.386 55.803 -0.553 0.000 0.846 255 Q CB -0.875 27.398 28.738 -0.775 0.000 0.902 255 Q HN 0.250 8.029 8.270 -0.693 0.075 0.421 256 Q N -0.943 118.618 119.800 -0.398 0.000 2.308 256 Q HA -0.297 nan 4.340 nan 0.000 0.209 256 Q C 2.310 178.163 176.000 -0.245 0.000 0.985 256 Q CA 2.551 58.156 55.803 -0.329 0.000 0.881 256 Q CB -0.286 28.273 28.738 -0.298 0.000 0.917 256 Q HN -0.199 7.814 8.270 -0.429 0.000 0.443 257 Q N -2.338 117.337 119.800 -0.207 0.000 2.360 257 Q HA -0.080 nan 4.340 nan 0.000 0.202 257 Q C 1.683 177.615 176.000 -0.112 0.000 0.915 257 Q CA 1.168 56.888 55.803 -0.137 0.000 0.943 257 Q CB 0.012 28.687 28.738 -0.105 0.000 1.064 257 Q HN -0.582 7.394 8.270 -0.233 0.154 0.511 258 E N -0.015 120.105 120.200 -0.133 0.000 2.274 258 E HA -0.173 nan 4.350 nan 0.000 0.194 258 E C 1.648 178.202 176.600 -0.076 0.000 0.996 258 E CA 2.535 58.883 56.400 -0.087 0.000 0.840 258 E CB -0.400 29.247 29.700 -0.089 0.000 0.772 258 E HN 0.218 8.295 8.360 -0.182 0.173 0.491 259 C N -3.498 115.752 119.300 -0.084 0.000 2.409 259 C HA -0.102 nan 4.460 nan 0.000 0.284 259 C C 1.753 176.694 174.990 -0.082 0.000 1.354 259 C CA 0.918 59.906 59.018 -0.051 0.000 1.787 259 C CB -1.414 26.297 27.740 -0.050 0.000 1.900 259 C HN -0.164 7.959 8.230 -0.118 0.036 0.520 260 K N 0.108 120.445 120.400 -0.104 0.000 2.432 260 K HA -0.160 nan 4.320 nan 0.000 0.196 260 K C 0.178 176.596 176.600 -0.305 0.000 1.038 260 K CA 1.495 57.704 56.287 -0.130 0.000 0.986 260 K CB -0.172 32.287 32.500 -0.068 0.000 0.782 260 K HN -0.657 7.399 8.250 -0.092 0.138 0.485 261 L N -2.647 118.372 121.223 -0.340 0.000 3.017 261 L HA 0.148 nan 4.340 nan 0.000 0.255 261 L C -0.423 176.061 176.870 -0.643 0.000 1.247 261 L CA -1.530 52.931 54.840 -0.631 0.000 1.038 261 L CB -0.146 41.818 42.059 -0.158 0.000 1.380 261 L HN -0.149 7.764 8.230 -0.199 0.199 0.548 262 L N 1.132 122.063 121.223 -0.486 0.000 2.727 262 L HA -0.043 nan 4.340 nan 0.000 0.237 262 L C -0.436 176.303 176.870 -0.218 0.000 1.370 262 L CA -0.489 54.228 54.840 -0.206 0.000 1.248 262 L CB -2.143 39.876 42.059 -0.068 0.000 1.556 262 L HN -0.215 7.676 8.230 -0.445 0.071 0.420 263 Y N 0.319 120.524 120.300 -0.158 0.000 2.330 263 Y HA -0.032 nan 4.550 nan 0.000 0.341 263 Y C 0.095 176.018 175.900 0.038 0.000 1.278 263 Y CA -0.726 57.240 58.100 -0.223 0.000 1.453 263 Y CB 0.486 38.574 38.460 -0.619 0.000 1.342 263 Y HN -0.248 7.555 8.280 -0.676 0.072 0.590 264 S N -0.767 115.085 115.700 0.253 0.000 2.565 264 S HA 0.035 nan 4.470 nan 0.000 0.276 264 S C 0.347 175.138 174.600 0.318 0.000 1.326 264 S CA -0.078 58.263 58.200 0.234 0.000 1.045 264 S CB 0.748 64.044 63.200 0.160 0.000 0.918 264 S HN 0.155 8.601 8.310 0.226 0.000 0.505 265 R N 4.181 124.842 120.500 0.268 0.000 2.881 265 R HA 0.216 nan 4.340 nan 0.000 0.331 265 R C 0.066 176.462 176.300 0.160 0.000 1.207 265 R CA -1.068 55.182 56.100 0.249 0.000 1.265 265 R CB -0.643 29.803 30.300 0.243 0.000 1.351 265 R HN 0.494 8.898 8.270 0.224 0.000 0.613 266 K N 1.603 122.085 120.400 0.136 0.000 2.002 266 K HA -0.321 nan 4.320 nan 0.000 0.209 266 K C 2.483 179.110 176.600 0.046 0.000 1.048 266 K CA 3.274 59.612 56.287 0.085 0.000 0.930 266 K CB -0.300 32.245 32.500 0.076 0.000 0.714 266 K HN 0.005 8.621 8.250 0.155 -0.273 0.438 267 E N -1.150 119.090 120.200 0.066 0.000 2.085 267 E HA -0.256 nan 4.350 nan 0.000 0.194 267 E C 2.641 179.140 176.600 -0.168 0.000 0.994 267 E CA 2.544 58.951 56.400 0.012 0.000 0.801 267 E CB -0.624 29.158 29.700 0.137 0.000 0.743 267 E HN -0.493 8.192 8.360 0.109 -0.260 0.453 268 G N -3.008 105.768 108.800 -0.041 0.000 2.509 268 G HA2 -0.199 nan 3.960 nan 0.000 0.218 268 G HA3 -0.199 nan 3.960 nan 0.000 0.218 268 G C 0.015 174.815 174.900 -0.167 0.000 1.124 268 G CA 0.841 45.843 45.100 -0.162 0.000 0.776 268 G HN 0.158 8.521 8.290 0.121 0.000 0.547 269 Q N -2.286 117.465 119.800 -0.081 0.000 2.424 269 Q HA -0.031 nan 4.340 nan 0.000 0.204 269 Q C 0.432 176.388 176.000 -0.073 0.000 0.933 269 Q CA 0.011 55.786 55.803 -0.047 0.000 0.929 269 Q CB 0.555 29.305 28.738 0.020 0.000 1.037 269 Q HN -0.597 7.481 8.270 -0.037 0.170 0.511 270 R N -0.185 120.242 120.500 -0.121 0.000 2.734 270 R HA -0.131 nan 4.340 nan 0.000 0.266 270 R C 1.092 177.323 176.300 -0.113 0.000 1.044 270 R CA 0.290 56.326 56.100 -0.105 0.000 1.128 270 R CB 0.437 30.665 30.300 -0.120 0.000 1.010 270 R HN -0.787 7.220 8.270 -0.159 0.168 0.461 271 Q N 3.484 123.241 119.800 -0.072 0.000 2.061 271 Q HA -0.278 nan 4.340 nan 0.000 0.204 271 Q C 2.055 178.010 176.000 -0.074 0.000 0.984 271 Q CA 3.261 59.027 55.803 -0.060 0.000 0.846 271 Q CB -0.390 28.325 28.738 -0.037 0.000 0.902 271 Q HN 0.584 8.821 8.270 -0.055 0.000 0.421 272 E N -2.267 117.886 120.200 -0.078 0.000 2.333 272 E HA -0.215 nan 4.350 nan 0.000 0.198 272 E C 1.037 177.574 176.600 -0.106 0.000 1.007 272 E CA 2.353 58.709 56.400 -0.072 0.000 0.845 272 E CB -0.753 28.915 29.700 -0.054 0.000 0.766 272 E HN 0.543 8.858 8.360 -0.075 0.000 0.507 273 N N -3.868 114.716 118.700 -0.194 0.000 2.220 273 N HA 0.145 nan 4.740 nan 0.000 0.195 273 N C 0.855 176.226 175.510 -0.231 0.000 1.123 273 N CA 0.154 53.008 53.050 -0.326 0.000 0.874 273 N CB 0.881 38.878 38.487 -0.816 0.000 0.995 273 N HN -0.305 7.774 8.380 -0.191 0.186 0.498 274 K N 1.264 121.571 120.400 -0.155 0.000 2.020 274 K HA -0.343 nan 4.320 nan 0.000 0.212 274 K C 1.351 177.901 176.600 -0.084 0.000 1.050 274 K CA 3.798 60.019 56.287 -0.110 0.000 0.929 274 K CB -0.285 32.167 32.500 -0.080 0.000 0.714 274 K HN -0.497 7.561 8.250 -0.140 0.108 0.443 275 N N -4.579 114.079 118.700 -0.069 0.000 2.398 275 N HA -0.082 nan 4.740 nan 0.000 0.188 275 N C 0.317 175.803 175.510 -0.040 0.000 1.122 275 N CA 0.786 53.799 53.050 -0.061 0.000 0.866 275 N CB -0.712 37.743 38.487 -0.054 0.000 0.970 275 N HN 0.098 8.437 8.380 -0.069 0.000 0.462 276 K N -2.169 118.228 120.400 -0.005 0.000 2.487 276 K HA -0.038 nan 4.320 nan 0.000 0.192 276 K C -0.894 175.751 176.600 0.076 0.000 1.027 276 K CA 0.417 56.743 56.287 0.064 0.000 1.054 276 K CB 0.055 32.673 32.500 0.197 0.000 0.824 276 K HN -0.512 7.545 8.250 -0.025 0.178 0.510 277 N N -1.358 117.354 118.700 0.019 0.000 2.400 277 N HA 0.129 nan 4.740 nan 0.000 0.288 277 N C -0.918 174.513 175.510 -0.131 0.000 1.024 277 N CA -0.343 52.700 53.050 -0.011 0.000 0.894 277 N CB 1.109 39.595 38.487 -0.002 0.000 1.173 277 N HN -0.838 7.469 8.380 -0.013 0.064 0.487 278 R N 3.193 123.577 120.500 -0.193 0.000 2.092 278 R HA -0.169 nan 4.340 nan 0.000 0.231 278 R C 0.237 176.077 176.300 -0.767 0.000 1.119 278 R CA 2.977 58.802 56.100 -0.458 0.000 0.970 278 R CB 0.800 30.811 30.300 -0.481 0.000 0.864 278 R HN 0.191 8.736 8.270 -0.112 -0.342 0.440 279 Y N -1.951 118.252 120.300 -0.160 0.000 2.326 279 Y HA 0.162 nan 4.550 nan 0.000 0.329 279 Y C 0.407 176.162 175.900 -0.242 0.000 0.973 279 Y CA -2.257 55.695 58.100 -0.247 0.000 1.162 279 Y CB 1.271 39.530 38.460 -0.335 0.000 1.147 279 Y HN -0.297 7.915 8.280 -0.113 0.000 0.456 280 K N 5.015 125.321 120.400 -0.157 0.000 2.127 280 K HA -0.416 nan 4.320 nan 0.000 0.212 280 K C 0.198 176.674 176.600 -0.206 0.000 1.050 280 K CA 2.535 58.717 56.287 -0.175 0.000 0.929 280 K CB -0.707 31.676 32.500 -0.194 0.000 0.715 280 K HN 0.679 8.824 8.250 -0.175 0.000 0.457 281 N N -2.601 115.892 118.700 -0.346 0.000 2.236 281 N HA 0.110 nan 4.740 nan 0.000 0.196 281 N C -1.180 174.193 175.510 -0.228 0.000 1.114 281 N CA 0.236 53.048 53.050 -0.397 0.000 0.859 281 N CB 1.010 38.957 38.487 -0.899 0.000 0.982 281 N HN 0.059 8.174 8.380 -0.400 0.025 0.493 282 I N 2.504 122.987 120.570 -0.145 0.000 2.347 282 I HA -0.003 nan 4.170 nan 0.000 0.283 282 I C -2.072 174.036 176.117 -0.014 0.000 1.058 282 I CA -0.204 61.061 61.300 -0.058 0.000 1.202 282 I CB -0.566 37.417 38.000 -0.028 0.000 1.386 282 I HN -0.450 7.507 8.210 -0.127 0.177 0.475 283 L N 5.252 126.463 121.223 -0.020 0.000 2.323 283 L HA 0.557 nan 4.340 nan 0.000 0.265 283 L C -2.520 174.322 176.870 -0.047 0.000 1.012 283 L CA -4.185 50.667 54.840 0.021 0.000 0.820 283 L CB 1.193 43.290 42.059 0.064 0.000 1.334 283 L HN -0.277 7.935 8.230 -0.030 0.000 0.427 284 P HA 0.013 nan 4.420 nan 0.000 0.279 284 P C -1.418 175.909 177.300 0.045 0.000 1.239 284 P CA -0.916 62.136 63.100 -0.079 0.000 0.789 284 P CB 0.519 32.189 31.700 -0.051 0.000 0.933 285 F N 0.845 120.834 119.950 0.064 0.000 2.607 285 F HA -0.246 nan 4.527 nan 0.000 0.374 285 F C 1.497 177.328 175.800 0.051 0.000 1.104 285 F CA -0.089 57.966 58.000 0.092 0.000 1.296 285 F CB -0.149 38.870 39.000 0.032 0.000 1.085 285 F HN 0.034 8.077 8.300 -0.428 0.000 0.584 286 D N 3.974 124.575 120.400 0.336 0.000 2.123 286 D HA -0.355 nan 4.640 nan 0.000 0.196 286 D C 1.048 177.453 176.300 0.175 0.000 0.992 286 D CA 3.632 57.763 54.000 0.218 0.000 0.833 286 D CB -0.221 40.697 40.800 0.196 0.000 0.954 286 D HN 0.466 9.075 8.370 0.399 0.000 0.455 287 H N -6.432 112.697 119.070 0.098 0.000 2.547 287 H HA 0.063 nan 4.556 nan 0.000 0.272 287 H C 0.684 176.039 175.328 0.045 0.000 0.989 287 H CA 0.971 57.031 56.048 0.021 0.000 1.214 287 H CB 0.203 29.906 29.762 -0.098 0.000 1.389 287 H HN 0.166 8.668 8.280 0.385 0.009 0.577 288 T N -5.492 108.907 114.554 -0.258 0.000 3.058 288 T HA 0.256 nan 4.350 nan 0.000 0.278 288 T C -0.567 174.096 174.700 -0.061 0.000 0.974 288 T CA -0.481 61.522 62.100 -0.161 0.000 0.893 288 T CB 0.945 69.687 68.868 -0.211 0.000 1.138 288 T HN -0.441 7.624 8.240 -0.224 0.041 0.529 289 R N 2.341 122.825 120.500 -0.026 0.000 2.697 289 R HA -0.103 nan 4.340 nan 0.000 0.265 289 R C 0.223 176.487 176.300 -0.061 0.000 1.009 289 R CA 0.730 56.806 56.100 -0.040 0.000 1.099 289 R CB 0.140 30.444 30.300 0.005 0.000 0.965 289 R HN -0.325 7.947 8.270 0.003 0.000 0.428 290 V N 3.920 123.769 119.914 -0.109 0.000 2.439 290 V HA -0.055 nan 4.120 nan 0.000 0.271 290 V C -1.022 174.982 176.094 -0.150 0.000 1.040 290 V CA 0.754 62.983 62.300 -0.118 0.000 1.002 290 V CB -0.656 31.082 31.823 -0.141 0.000 1.000 290 V HN 0.226 8.226 8.190 -0.136 0.108 0.477 291 V N 7.155 126.983 119.914 -0.144 0.000 2.364 291 V HA 0.220 nan 4.120 nan 0.000 0.272 291 V C -0.458 175.357 176.094 -0.465 0.000 1.036 291 V CA -1.540 60.622 62.300 -0.231 0.000 0.880 291 V CB -0.190 31.530 31.823 -0.171 0.000 0.991 291 V HN 0.208 8.339 8.190 -0.098 0.000 0.460 292 L N 6.194 127.208 121.223 -0.348 0.000 2.260 292 L HA 0.153 nan 4.340 nan 0.000 0.289 292 L C 0.184 176.860 176.870 -0.323 0.000 1.057 292 L CA -0.615 54.047 54.840 -0.297 0.000 0.811 292 L CB 0.174 42.157 42.059 -0.127 0.000 1.184 292 L HN 0.138 8.119 8.230 -0.225 0.114 0.429 293 H N 2.572 121.661 119.070 0.032 0.000 2.517 293 H HA -0.078 nan 4.556 nan 0.000 0.282 293 H C -0.023 175.329 175.328 0.039 0.000 1.023 293 H CA 0.631 56.700 56.048 0.035 0.000 1.169 293 H CB -0.032 29.751 29.762 0.034 0.000 1.454 293 H HN 0.823 9.399 8.280 -0.176 -0.402 0.556 303 D N 3.019 123.449 120.400 0.050 0.000 2.402 303 D HA 0.065 nan 4.640 nan 0.000 0.216 303 D C -1.590 174.734 176.300 0.038 0.000 1.128 303 D CA 0.000 54.007 54.000 0.011 0.000 0.833 303 D CB 0.473 41.274 40.800 0.001 0.000 0.971 303 D HN 0.380 8.791 8.370 0.070 0.000 0.503 304 Y N 0.030 120.301 120.300 -0.049 0.000 2.429 304 Y HA 0.593 nan 4.550 nan 0.000 0.342 304 Y C -1.988 173.885 175.900 -0.046 0.000 1.004 304 Y CA -0.445 57.629 58.100 -0.044 0.000 1.075 304 Y CB 2.327 40.770 38.460 -0.028 0.000 1.214 304 Y HN -0.778 7.533 8.280 0.151 0.060 0.455 305 I N 5.168 125.214 120.570 -0.875 0.000 2.775 305 I HA 0.171 nan 4.170 nan 0.000 0.295 305 I C -2.558 173.007 176.117 -0.920 0.000 1.287 305 I CA -1.001 59.876 61.300 -0.704 0.000 1.029 305 I CB 4.204 42.012 38.000 -0.319 0.000 1.282 305 I HN 0.233 7.857 8.210 -0.977 0.000 0.426 306 N N 8.171 126.527 118.700 -0.573 0.000 2.605 306 N HA -0.053 nan 4.740 nan 0.000 0.282 306 N C -1.983 173.405 175.510 -0.204 0.000 1.206 306 N CA -0.060 52.806 53.050 -0.307 0.000 1.074 306 N CB -1.366 37.081 38.487 -0.066 0.000 1.434 306 N HN 0.550 8.708 8.380 -0.370 0.000 0.506 307 A N 3.645 126.329 122.820 -0.226 0.000 2.589 307 A HA 0.477 nan 4.320 nan 0.000 0.296 307 A C -2.579 174.928 177.584 -0.129 0.000 1.062 307 A CA -0.145 51.803 52.037 -0.148 0.000 0.686 307 A CB 3.743 22.652 19.000 -0.152 0.000 1.282 307 A HN -0.117 7.820 8.150 -0.306 0.029 0.404 308 N N -0.089 118.561 118.700 -0.083 0.000 2.238 308 N HA 0.781 nan 4.740 nan 0.000 0.302 308 N C -1.036 174.461 175.510 -0.022 0.000 1.072 308 N CA -0.756 52.258 53.050 -0.059 0.000 0.792 308 N CB 3.686 42.136 38.487 -0.062 0.000 1.425 308 N HN 0.276 8.617 8.380 -0.065 0.000 0.478 309 I N 2.644 123.205 120.570 -0.016 0.000 2.598 309 I HA 0.016 nan 4.170 nan 0.000 0.284 309 I C -0.203 175.943 176.117 0.049 0.000 1.140 309 I CA 0.092 61.401 61.300 0.016 0.000 1.420 309 I CB -0.885 37.120 38.000 0.008 0.000 1.387 309 I HN 0.349 8.541 8.210 -0.030 0.000 0.553 310 I N 9.266 129.899 120.570 0.106 0.000 2.307 310 I HA 0.157 nan 4.170 nan 0.000 0.287 310 I C -1.311 174.914 176.117 0.180 0.000 1.054 310 I CA -2.131 59.254 61.300 0.142 0.000 1.218 310 I CB -0.901 37.192 38.000 0.155 0.000 1.398 310 I HN 0.939 9.111 8.210 0.127 0.114 0.475 311 M N 8.540 128.208 119.600 0.114 0.000 2.063 311 M HA 0.314 nan 4.480 nan 0.000 0.348 311 M C -2.174 174.186 176.300 0.100 0.000 1.180 311 M CA -3.527 51.830 55.300 0.094 0.000 1.059 311 M CB -0.237 32.397 32.600 0.057 0.000 1.544 311 M HN 0.236 8.893 8.290 0.091 -0.312 0.447 325 K N 2.918 123.255 120.400 -0.105 0.000 2.412 325 K HA -0.023 nan 4.320 nan 0.000 0.284 325 K C -1.158 175.257 176.600 -0.308 0.000 1.046 325 K CA 0.342 56.496 56.287 -0.221 0.000 0.999 325 K CB 0.226 32.578 32.500 -0.246 0.000 0.941 325 K HN -0.074 8.132 8.250 -0.072 0.000 0.474 326 S N 2.988 118.478 115.700 -0.349 0.000 2.726 326 S HA 0.498 nan 4.470 nan 0.000 0.308 326 S C -1.549 172.725 174.600 -0.545 0.000 1.115 326 S CA -1.075 56.936 58.200 -0.315 0.000 0.965 326 S CB 2.635 65.782 63.200 -0.088 0.000 1.145 326 S HN 0.163 8.298 8.310 -0.291 0.000 0.532 327 Y N -3.339 116.966 120.300 0.008 0.000 2.536 327 Y HA 0.538 nan 4.550 nan 0.000 0.347 327 Y C -0.851 175.049 175.900 -0.000 0.000 1.000 327 Y CA -1.670 56.440 58.100 0.018 0.000 1.051 327 Y CB 3.946 42.432 38.460 0.043 0.000 1.259 327 Y HN 0.246 8.645 8.280 0.197 0.000 0.468 328 I N 2.389 123.042 120.570 0.138 0.000 2.330 328 I HA 0.358 nan 4.170 nan 0.000 0.289 328 I C -1.605 174.564 176.117 0.087 0.000 1.001 328 I CA -1.013 60.324 61.300 0.063 0.000 1.193 328 I CB 1.543 39.529 38.000 -0.023 0.000 1.345 328 I HN 0.293 8.478 8.210 0.137 0.107 0.461 329 A N 8.887 131.746 122.820 0.066 0.000 2.276 329 A HA 0.753 nan 4.320 nan 0.000 0.300 329 A C -2.134 175.463 177.584 0.021 0.000 1.235 329 A CA -1.278 50.790 52.037 0.053 0.000 0.867 329 A CB 1.225 20.241 19.000 0.027 0.000 1.137 329 A HN 0.600 8.778 8.150 0.048 0.000 0.527 330 T N 4.223 118.809 114.554 0.053 0.000 2.841 330 T HA 0.688 nan 4.350 nan 0.000 0.296 330 T C -1.895 172.829 174.700 0.042 0.000 1.166 330 T CA -1.531 60.583 62.100 0.023 0.000 1.007 330 T CB 3.249 72.127 68.868 0.017 0.000 1.253 330 T HN 0.459 8.756 8.240 0.096 0.000 0.511 331 Q N 0.690 120.480 119.800 -0.017 0.000 2.318 331 Q HA 0.328 nan 4.340 nan 0.000 0.222 331 Q C 0.355 176.267 176.000 -0.148 0.000 1.003 331 Q CA -1.071 54.721 55.803 -0.019 0.000 0.936 331 Q CB 1.288 30.015 28.738 -0.019 0.000 1.204 331 Q HN -0.340 7.903 8.270 -0.044 0.000 0.524 332 G N -2.433 106.300 108.800 -0.111 0.000 2.441 332 G HA2 -0.106 nan 3.960 nan 0.000 0.243 332 G HA3 -0.106 nan 3.960 nan 0.000 0.243 332 G C -0.252 174.448 174.900 -0.334 0.000 1.281 332 G CA -0.503 44.430 45.100 -0.278 0.000 0.854 332 G HN -0.299 7.992 8.290 0.002 0.000 0.560 333 C N 3.366 122.361 119.300 -0.508 0.000 2.563 333 C HA -0.159 nan 4.460 nan 0.000 0.411 333 C C 0.241 175.108 174.990 -0.205 0.000 1.386 333 C CA 1.372 60.158 59.018 -0.386 0.000 1.703 333 C CB -1.246 26.215 27.740 -0.466 0.000 2.596 333 C HN 0.186 7.968 8.230 -0.746 0.000 0.605 334 L N 2.488 123.615 121.223 -0.160 0.000 2.416 334 L HA 0.051 nan 4.340 nan 0.000 0.262 334 L C 0.961 177.781 176.870 -0.082 0.000 1.093 334 L CA -0.827 53.944 54.840 -0.115 0.000 0.801 334 L CB 0.966 42.960 42.059 -0.108 0.000 1.191 334 L HN 0.218 8.350 8.230 -0.162 0.000 0.459 335 Q N 0.014 119.778 119.800 -0.059 0.000 2.226 335 Q HA -0.299 nan 4.340 nan 0.000 0.204 335 Q C 0.690 176.686 176.000 -0.007 0.000 0.975 335 Q CA 2.911 58.697 55.803 -0.028 0.000 0.866 335 Q CB -0.253 28.470 28.738 -0.025 0.000 0.915 335 Q HN 0.575 8.805 8.270 -0.066 0.000 0.440 336 N N -6.018 112.671 118.700 -0.018 0.000 2.270 336 N HA 0.059 nan 4.740 nan 0.000 0.198 336 N C 0.430 175.942 175.510 0.004 0.000 1.117 336 N CA 0.065 53.114 53.050 -0.001 0.000 0.845 336 N CB -0.229 38.253 38.487 -0.009 0.000 0.980 336 N HN -0.017 8.302 8.380 -0.037 0.039 0.486 337 T N -6.622 107.922 114.554 -0.017 0.000 3.040 337 T HA 0.316 nan 4.350 nan 0.000 0.266 337 T C 0.456 175.143 174.700 -0.022 0.000 1.005 337 T CA -0.142 61.946 62.100 -0.019 0.000 0.906 337 T CB 1.523 70.360 68.868 -0.051 0.000 1.082 337 T HN -0.181 7.851 8.240 -0.038 0.185 0.531 338 V N 3.975 123.882 119.914 -0.012 0.000 2.332 338 V HA -0.557 nan 4.120 nan 0.000 0.248 338 V C 1.221 177.397 176.094 0.136 0.000 1.055 338 V CA 4.768 67.068 62.300 -0.001 0.000 1.038 338 V CB -0.857 31.015 31.823 0.081 0.000 0.651 338 V HN -0.354 7.832 8.190 -0.006 0.000 0.450 339 N N -1.953 116.857 118.700 0.184 0.000 2.188 339 N HA -0.344 nan 4.740 nan 0.000 0.184 339 N C 1.621 177.235 175.510 0.173 0.000 1.018 339 N CA 3.373 56.566 53.050 0.238 0.000 0.858 339 N CB -0.198 38.397 38.487 0.180 0.000 0.989 339 N HN 0.255 8.708 8.380 0.140 0.011 0.426 340 D N 0.457 120.913 120.400 0.094 0.000 2.183 340 D HA -0.202 nan 4.640 nan 0.000 0.203 340 D C 1.943 178.243 176.300 -0.001 0.000 0.969 340 D CA 2.827 56.851 54.000 0.040 0.000 0.842 340 D CB -0.383 40.423 40.800 0.010 0.000 0.957 340 D HN -0.401 7.938 8.370 0.079 0.078 0.484 341 F N 2.338 122.161 119.950 -0.211 0.000 2.095 341 F HA -0.460 nan 4.527 nan 0.000 0.298 341 F C 0.999 176.570 175.800 -0.381 0.000 1.104 341 F CA 4.486 62.246 58.000 -0.399 0.000 1.232 341 F CB 0.148 38.749 39.000 -0.666 0.000 0.987 341 F HN 0.127 8.473 8.300 0.077 0.000 0.475 342 W N -3.561 117.764 121.300 0.043 0.000 2.402 342 W HA -0.402 nan 4.660 nan 0.000 0.286 342 W C 2.123 178.641 176.519 -0.001 0.000 1.221 342 W CA 3.651 60.998 57.345 0.003 0.000 1.257 342 W CB -0.229 29.278 29.460 0.079 0.000 1.120 342 W HN -0.507 7.733 8.180 0.101 0.000 0.551 343 R N -0.896 119.711 120.500 0.179 0.000 2.083 343 R HA -0.532 nan 4.340 nan 0.000 0.237 343 R C 2.278 178.622 176.300 0.073 0.000 1.137 343 R CA 3.629 59.799 56.100 0.116 0.000 0.951 343 R CB -0.408 29.927 30.300 0.059 0.000 0.851 343 R HN -0.384 7.997 8.270 0.186 0.000 0.434 344 M N 0.494 120.047 119.600 -0.079 0.000 2.067 344 M HA -0.387 nan 4.480 nan 0.000 0.260 344 M C 1.833 178.031 176.300 -0.170 0.000 1.069 344 M CA 4.063 59.264 55.300 -0.165 0.000 1.117 344 M CB 0.030 32.445 32.600 -0.309 0.000 1.334 344 M HN 0.025 8.245 8.290 -0.116 0.000 0.407 345 V N -0.545 119.192 119.914 -0.295 0.000 2.324 345 V HA -0.516 nan 4.120 nan 0.000 0.250 345 V C 1.760 177.871 176.094 0.030 0.000 1.060 345 V CA 4.507 66.686 62.300 -0.202 0.000 1.042 345 V CB -1.272 30.398 31.823 -0.255 0.000 0.650 345 V HN -0.057 7.839 8.190 -0.490 0.000 0.450 346 F N -0.419 119.545 119.950 0.024 0.000 2.084 346 F HA -0.495 nan 4.527 nan 0.000 0.296 346 F C 1.664 177.479 175.800 0.024 0.000 1.111 346 F CA 3.885 61.920 58.000 0.058 0.000 1.224 346 F CB 0.455 39.509 39.000 0.090 0.000 0.991 346 F HN -0.129 8.360 8.300 0.314 0.000 0.471 347 Q N -0.832 119.093 119.800 0.209 0.000 2.061 347 Q HA -0.348 nan 4.340 nan 0.000 0.204 347 Q C 1.979 177.970 176.000 -0.014 0.000 0.984 347 Q CA 2.776 58.649 55.803 0.117 0.000 0.846 347 Q CB 0.031 28.848 28.738 0.131 0.000 0.902 347 Q HN -0.122 8.322 8.270 0.290 0.000 0.421 348 E N -4.392 115.785 120.200 -0.040 0.000 2.502 348 E HA 0.011 nan 4.350 nan 0.000 0.194 348 E C -0.564 175.986 176.600 -0.084 0.000 1.062 348 E CA -0.316 56.049 56.400 -0.058 0.000 0.867 348 E CB -0.169 29.488 29.700 -0.072 0.000 0.888 348 E HN -0.263 8.076 8.360 -0.034 0.000 0.510 349 N N -1.627 116.998 118.700 -0.125 0.000 2.741 349 N HA -0.281 nan 4.740 nan 0.000 0.250 349 N C -0.821 174.644 175.510 -0.076 0.000 1.115 349 N CA 0.798 53.766 53.050 -0.137 0.000 0.724 349 N CB -0.692 37.720 38.487 -0.124 0.000 1.090 349 N HN -0.451 7.643 8.380 -0.150 0.196 0.558 350 S N -0.148 115.515 115.700 -0.062 0.000 2.549 350 S HA -0.094 nan 4.470 nan 0.000 0.283 350 S C -0.254 174.367 174.600 0.034 0.000 1.320 350 S CA 2.260 60.442 58.200 -0.029 0.000 1.058 350 S CB 0.169 63.332 63.200 -0.062 0.000 0.882 350 S HN -0.403 7.839 8.310 -0.078 0.021 0.498 351 R N 2.393 122.938 120.500 0.076 0.000 2.509 351 R HA 0.288 nan 4.340 nan 0.000 0.297 351 R C -1.605 174.857 176.300 0.270 0.000 0.951 351 R CA -0.316 55.882 56.100 0.164 0.000 1.103 351 R CB 1.039 31.439 30.300 0.166 0.000 1.283 351 R HN 0.473 8.772 8.270 0.049 0.000 0.534 352 V N -0.125 119.911 119.914 0.204 0.000 2.733 352 V HA 0.669 nan 4.120 nan 0.000 0.306 352 V C -2.383 173.832 176.094 0.201 0.000 1.084 352 V CA -0.433 62.024 62.300 0.262 0.000 0.905 352 V CB 3.283 35.222 31.823 0.193 0.000 1.010 352 V HN -0.419 7.846 8.190 0.124 0.000 0.424 353 I N 5.387 126.112 120.570 0.258 0.000 2.465 353 I HA 0.689 nan 4.170 nan 0.000 0.291 353 I C -1.783 174.452 176.117 0.198 0.000 1.014 353 I CA -1.225 60.212 61.300 0.227 0.000 1.093 353 I CB 3.470 41.658 38.000 0.314 0.000 1.267 353 I HN 0.673 9.082 8.210 0.333 0.000 0.431 354 V N 6.912 126.866 119.914 0.067 0.000 2.357 354 V HA 0.595 nan 4.120 nan 0.000 0.284 354 V C -2.003 173.965 176.094 -0.210 0.000 1.018 354 V CA -1.435 60.837 62.300 -0.048 0.000 0.841 354 V CB 1.523 33.133 31.823 -0.354 0.000 0.991 354 V HN 1.115 9.235 8.190 0.064 0.109 0.437 355 M N 8.822 128.327 119.600 -0.159 0.000 2.167 355 M HA 0.662 nan 4.480 nan 0.000 0.333 355 M C -1.425 174.817 176.300 -0.096 0.000 1.030 355 M CA -1.287 53.754 55.300 -0.431 0.000 0.963 355 M CB 3.543 35.899 32.600 -0.406 0.000 1.589 355 M HN 0.691 9.026 8.290 0.075 0.000 0.431 356 T N 2.696 117.159 114.554 -0.152 0.000 3.269 356 T HA 0.385 nan 4.350 nan 0.000 0.269 356 T C -1.211 173.503 174.700 0.023 0.000 0.993 356 T CA -1.666 60.439 62.100 0.008 0.000 0.909 356 T CB -0.432 68.356 68.868 -0.133 0.000 1.115 356 T HN 0.529 8.580 8.240 -0.316 0.000 0.543 357 T N 1.089 115.704 114.554 0.102 0.000 2.885 357 T HA 0.265 nan 4.350 nan 0.000 0.322 357 T C -1.822 173.033 174.700 0.258 0.000 1.387 357 T CA -0.600 61.563 62.100 0.106 0.000 1.041 357 T CB 2.547 71.433 68.868 0.030 0.000 1.287 357 T HN -0.579 7.685 8.240 0.159 0.071 0.491 358 K N 5.197 125.726 120.400 0.215 0.000 2.180 358 K HA 0.033 nan 4.320 nan 0.000 0.251 358 K C -0.154 176.574 176.600 0.213 0.000 1.014 358 K CA 0.348 56.788 56.287 0.255 0.000 0.913 358 K CB 0.441 33.023 32.500 0.136 0.000 1.008 358 K HN 0.154 8.793 8.250 0.148 -0.300 0.490 359 E N -2.038 118.302 120.200 0.233 0.000 2.118 359 E HA -0.229 nan 4.350 nan 0.000 0.195 359 E C -0.284 176.371 176.600 0.091 0.000 0.992 359 E CA 2.531 59.025 56.400 0.157 0.000 0.804 359 E CB 0.269 30.047 29.700 0.129 0.000 0.741 359 E HN 0.190 8.726 8.360 0.294 0.000 0.458 360 V N -7.630 112.332 119.914 0.081 0.000 2.841 360 V HA 0.560 nan 4.120 nan 0.000 0.310 360 V C -1.938 174.185 176.094 0.048 0.000 1.090 360 V CA -2.328 60.004 62.300 0.052 0.000 0.930 360 V CB 2.535 34.378 31.823 0.033 0.000 1.014 360 V HN -0.774 7.473 8.190 0.097 0.002 0.425 361 E N 6.433 126.654 120.200 0.035 0.000 2.292 361 E HA 0.428 nan 4.350 nan 0.000 0.272 361 E C -0.726 175.881 176.600 0.011 0.000 0.881 361 E CA -1.359 55.054 56.400 0.021 0.000 0.754 361 E CB 3.423 33.131 29.700 0.013 0.000 1.201 361 E HN 0.404 8.785 8.360 0.036 0.000 0.425 362 R N 1.817 122.319 120.500 0.003 0.000 3.516 362 R HA -0.332 nan 4.340 nan 0.000 0.271 362 R C -0.188 176.120 176.300 0.013 0.000 1.098 362 R CA 0.812 56.913 56.100 0.003 0.000 0.732 362 R CB -1.929 28.365 30.300 -0.009 0.000 1.152 362 R HN 1.007 9.278 8.270 0.002 0.000 0.455 363 G N -5.023 103.786 108.800 0.015 0.000 2.234 363 G HA2 -0.439 nan 3.960 nan 0.000 0.260 363 G HA3 -0.439 nan 3.960 nan 0.000 0.260 363 G C -0.836 174.073 174.900 0.016 0.000 0.987 363 G CA -0.154 44.955 45.100 0.015 0.000 0.625 363 G HN 0.158 8.434 8.290 0.016 0.023 0.532 364 K N 1.462 121.875 120.400 0.022 0.000 2.110 364 K HA 0.222 nan 4.320 nan 0.000 0.263 364 K C -1.245 175.371 176.600 0.027 0.000 0.975 364 K CA -1.007 55.296 56.287 0.026 0.000 0.895 364 K CB 1.742 34.270 32.500 0.047 0.000 1.060 364 K HN -0.377 7.790 8.250 0.024 0.098 0.448 365 S N 1.059 116.767 115.700 0.013 0.000 2.474 365 S HA 0.092 nan 4.470 nan 0.000 0.276 365 S C 0.593 175.206 174.600 0.020 0.000 1.227 365 S CA -0.234 57.971 58.200 0.008 0.000 1.050 365 S CB 0.178 63.367 63.200 -0.019 0.000 0.939 365 S HN 0.488 8.800 8.310 0.003 0.000 0.490 366 K N 7.240 127.664 120.400 0.041 0.000 2.348 366 K HA 0.260 nan 4.320 nan 0.000 0.194 366 K C -1.264 175.364 176.600 0.046 0.000 1.052 366 K CA -0.514 55.810 56.287 0.062 0.000 1.004 366 K CB 0.858 33.401 32.500 0.072 0.000 0.873 366 K HN 0.510 8.681 8.250 0.046 0.107 0.523 367 C N -2.816 116.507 119.300 0.038 0.000 3.146 367 C HA 0.261 nan 4.460 nan 0.000 0.405 367 C C -0.969 174.026 174.990 0.009 0.000 1.012 367 C CA -0.402 58.631 59.018 0.025 0.000 1.217 367 C CB 2.328 30.146 27.740 0.129 0.000 1.599 367 C HN -0.635 7.620 8.230 0.042 0.000 0.567 368 V N 2.590 122.478 119.914 -0.043 0.000 2.649 368 V HA 0.271 nan 4.120 nan 0.000 0.292 368 V C -1.300 174.710 176.094 -0.140 0.000 1.055 368 V CA -1.501 60.751 62.300 -0.080 0.000 1.023 368 V CB 1.066 32.841 31.823 -0.081 0.000 0.992 368 V HN 0.570 8.716 8.190 -0.074 0.000 0.480 369 K N 6.406 126.597 120.400 -0.348 0.000 2.366 369 K HA -0.201 nan 4.320 nan 0.000 0.279 369 K C 0.142 176.380 176.600 -0.604 0.000 1.098 369 K CA 1.010 56.756 56.287 -0.901 0.000 1.087 369 K CB -0.205 31.781 32.500 -0.856 0.000 0.901 369 K HN 0.470 8.562 8.250 -0.263 0.000 0.463 370 Y N 1.803 121.797 120.300 -0.510 0.000 2.485 370 Y HA 0.148 nan 4.550 nan 0.000 0.260 370 Y C -2.072 173.942 175.900 0.189 0.000 1.173 370 Y CA -2.267 55.746 58.100 -0.144 0.000 1.252 370 Y CB -0.217 38.092 38.460 -0.252 0.000 1.123 370 Y HN -0.325 7.468 8.280 -0.812 0.000 0.524 371 W N -2.515 118.771 121.300 -0.024 0.000 2.761 371 W HA 0.640 nan 4.660 nan 0.000 0.340 371 W C -2.808 173.797 176.519 0.143 0.000 1.072 371 W CA -3.629 53.781 57.345 0.108 0.000 1.215 371 W CB 0.060 29.483 29.460 -0.061 0.000 1.420 371 W HN -0.495 6.994 8.180 -1.032 0.072 0.519 372 P HA -0.082 nan 4.420 nan 0.000 0.272 372 P C -1.666 175.721 177.300 0.145 0.000 1.230 372 P CA -0.497 62.680 63.100 0.129 0.000 0.788 372 P CB 0.678 32.436 31.700 0.096 0.000 0.949 373 D N -0.106 120.331 120.400 0.061 0.000 2.378 373 D HA -0.120 nan 4.640 nan 0.000 0.238 373 D C 0.311 176.633 176.300 0.037 0.000 1.180 373 D CA 0.095 54.139 54.000 0.072 0.000 0.895 373 D CB 0.518 41.342 40.800 0.039 0.000 1.192 373 D HN 0.014 8.394 8.370 0.017 0.000 0.438 374 E N 1.804 121.980 120.200 -0.039 0.000 2.652 374 E HA -0.449 nan 4.350 nan 0.000 0.255 374 E C -0.169 176.284 176.600 -0.245 0.000 0.952 374 E CA 2.091 58.315 56.400 -0.292 0.000 0.947 374 E CB 0.031 29.446 29.700 -0.475 0.000 0.912 374 E HN 0.307 8.667 8.360 -0.000 0.000 0.489 375 Y N -1.262 119.053 120.300 0.026 0.000 4.884 375 Y HA -0.569 nan 4.550 nan 0.000 0.276 375 Y C -1.264 174.637 175.900 0.001 0.000 0.915 375 Y CA 0.965 59.070 58.100 0.009 0.000 1.768 375 Y CB -2.715 35.749 38.460 0.007 0.000 1.172 375 Y HN 0.873 8.867 8.280 -0.311 0.100 0.470 376 A N -1.800 121.085 122.820 0.108 0.000 2.304 376 A HA 0.172 nan 4.320 nan 0.000 0.271 376 A C -2.145 175.451 177.584 0.019 0.000 1.091 376 A CA -0.394 51.676 52.037 0.054 0.000 0.812 376 A CB 1.261 20.280 19.000 0.031 0.000 1.056 376 A HN -0.225 7.873 8.150 0.069 0.094 0.489 377 L N -1.471 119.744 121.223 -0.014 0.000 2.362 377 L HA 0.667 nan 4.340 nan 0.000 0.275 377 L C -1.197 175.609 176.870 -0.107 0.000 0.998 377 L CA -0.560 54.250 54.840 -0.050 0.000 0.820 377 L CB 2.779 44.811 42.059 -0.045 0.000 1.270 377 L HN 0.022 8.243 8.230 -0.015 0.000 0.415 378 K N 5.258 125.557 120.400 -0.169 0.000 2.469 378 K HA 0.395 nan 4.320 nan 0.000 0.254 378 K C -1.868 174.491 176.600 -0.402 0.000 0.939 378 K CA -1.335 54.747 56.287 -0.342 0.000 0.812 378 K CB 4.195 36.364 32.500 -0.552 0.000 1.301 378 K HN 0.649 8.821 8.250 -0.130 0.000 0.433 379 E N 1.554 121.511 120.200 -0.405 0.000 2.134 379 E HA 0.362 nan 4.350 nan 0.000 0.278 379 E C -0.506 175.865 176.600 -0.382 0.000 0.959 379 E CA -0.600 55.619 56.400 -0.301 0.000 0.783 379 E CB 1.317 30.917 29.700 -0.168 0.000 1.095 379 E HN 0.397 8.541 8.360 -0.361 0.000 0.399 380 Y N 6.031 126.293 120.300 -0.064 0.000 2.854 380 Y HA 0.023 nan 4.550 nan 0.000 0.330 380 Y C -0.139 175.780 175.900 0.033 0.000 1.037 380 Y CA -1.333 56.780 58.100 0.021 0.000 1.263 380 Y CB -0.992 37.533 38.460 0.110 0.000 1.120 380 Y HN 0.863 9.074 8.280 0.040 0.093 0.532 381 G N 3.937 112.805 108.800 0.113 0.000 2.556 381 G HA2 -0.516 nan 3.960 nan 0.000 0.283 381 G HA3 -0.516 nan 3.960 nan 0.000 0.283 381 G C -0.083 174.828 174.900 0.018 0.000 1.177 381 G CA 1.081 46.220 45.100 0.065 0.000 0.978 381 G HN -0.038 8.259 8.290 0.073 0.036 0.554 382 V N -3.312 116.603 119.914 0.002 0.000 3.573 382 V HA 0.261 nan 4.120 nan 0.000 0.270 382 V C -0.258 175.784 176.094 -0.086 0.000 1.221 382 V CA 0.284 62.555 62.300 -0.049 0.000 1.163 382 V CB -0.256 31.525 31.823 -0.070 0.000 0.847 382 V HN 0.119 8.320 8.190 0.019 0.000 0.468 383 M N 0.668 120.247 119.600 -0.036 0.000 2.363 383 M HA 0.605 nan 4.480 nan 0.000 0.343 383 M C -1.703 174.567 176.300 -0.050 0.000 1.165 383 M CA -1.732 53.533 55.300 -0.058 0.000 1.046 383 M CB 1.776 34.404 32.600 0.047 0.000 1.648 383 M HN -0.504 7.718 8.290 0.030 0.086 0.452 384 R N 2.658 123.101 120.500 -0.096 0.000 2.480 384 R HA 0.778 nan 4.340 nan 0.000 0.306 384 R C -2.701 173.510 176.300 -0.147 0.000 0.958 384 R CA -1.278 54.756 56.100 -0.109 0.000 0.861 384 R CB 3.093 33.339 30.300 -0.090 0.000 1.171 384 R HN 0.821 9.028 8.270 -0.104 0.000 0.445 385 V N 4.964 124.776 119.914 -0.170 0.000 2.709 385 V HA 0.865 nan 4.120 nan 0.000 0.308 385 V C -2.935 173.098 176.094 -0.102 0.000 1.062 385 V CA -2.985 59.190 62.300 -0.209 0.000 0.901 385 V CB 4.272 35.778 31.823 -0.528 0.000 1.003 385 V HN 0.878 8.986 8.190 -0.137 0.000 0.425 386 R N 6.226 126.679 120.500 -0.079 0.000 2.445 386 R HA 0.615 nan 4.340 nan 0.000 0.308 386 R C -1.709 174.573 176.300 -0.031 0.000 0.961 386 R CA -1.893 54.185 56.100 -0.037 0.000 0.862 386 R CB 2.646 32.931 30.300 -0.025 0.000 1.144 386 R HN 0.501 8.716 8.270 -0.093 0.000 0.447 387 N N 4.728 123.426 118.700 -0.002 0.000 2.448 387 N HA 0.098 nan 4.740 nan 0.000 0.250 387 N C 0.697 176.161 175.510 -0.077 0.000 1.136 387 N CA -0.636 52.399 53.050 -0.025 0.000 0.953 387 N CB -0.033 38.465 38.487 0.020 0.000 1.251 387 N HN -0.054 8.335 8.380 0.015 0.000 0.502 388 V N 6.680 126.542 119.914 -0.086 0.000 2.358 388 V HA -0.193 nan 4.120 nan 0.000 0.246 388 V C -0.013 176.035 176.094 -0.077 0.000 1.047 388 V CA 2.914 65.185 62.300 -0.049 0.000 1.035 388 V CB 0.261 32.037 31.823 -0.078 0.000 0.658 388 V HN 0.640 8.766 8.190 -0.107 0.000 0.452 389 K N -4.182 116.129 120.400 -0.149 0.000 2.589 389 K HA 0.222 nan 4.320 nan 0.000 0.265 389 K C -3.080 173.435 176.600 -0.142 0.000 0.935 389 K CA -0.589 55.605 56.287 -0.155 0.000 0.850 389 K CB 3.803 36.297 32.500 -0.011 0.000 1.372 389 K HN -0.770 7.456 8.250 -0.150 -0.065 0.420 390 E N 4.293 124.399 120.200 -0.157 0.000 2.183 390 E HA 0.660 nan 4.350 nan 0.000 0.271 390 E C -0.871 175.701 176.600 -0.047 0.000 0.919 390 E CA -1.299 55.043 56.400 -0.096 0.000 0.781 390 E CB 2.829 32.464 29.700 -0.108 0.000 1.140 390 E HN 0.168 8.739 8.360 -0.215 -0.340 0.402 391 S N 5.308 120.992 115.700 -0.026 0.000 2.640 391 S HA 0.250 nan 4.470 nan 0.000 0.320 391 S C -1.813 172.739 174.600 -0.079 0.000 1.097 391 S CA -0.650 57.538 58.200 -0.021 0.000 1.092 391 S CB 1.615 64.832 63.200 0.029 0.000 0.988 391 S HN 0.912 9.101 8.310 -0.020 0.109 0.470 392 A N 6.447 129.209 122.820 -0.097 0.000 2.320 392 A HA 0.616 nan 4.320 nan 0.000 0.287 392 A C -1.266 176.187 177.584 -0.219 0.000 1.181 392 A CA -0.486 51.456 52.037 -0.159 0.000 0.831 392 A CB 0.467 19.401 19.000 -0.110 0.000 1.102 392 A HN 0.489 8.601 8.150 -0.064 0.000 0.513 393 A N 3.860 126.438 122.820 -0.405 0.000 2.373 393 A HA 0.410 nan 4.320 nan 0.000 0.291 393 A C -1.110 176.310 177.584 -0.273 0.000 1.171 393 A CA -1.150 50.654 52.037 -0.390 0.000 0.922 393 A CB 1.467 20.012 19.000 -0.759 0.000 1.400 393 A HN 0.526 8.365 8.150 -0.519 0.000 0.474 394 H N -1.000 117.941 119.070 -0.215 0.000 2.363 394 H HA -0.148 nan 4.556 nan 0.000 0.301 394 H C 1.667 176.873 175.328 -0.203 0.000 1.074 394 H CA 3.317 59.270 56.048 -0.159 0.000 1.354 394 H CB 0.147 29.855 29.762 -0.091 0.000 1.397 394 H HN 0.453 8.714 8.280 -0.032 0.000 0.516 395 D N -3.971 116.192 120.400 -0.393 0.000 2.346 395 D HA 0.032 nan 4.640 nan 0.000 0.206 395 D C -1.455 174.484 176.300 -0.603 0.000 1.001 395 D CA 1.387 55.043 54.000 -0.572 0.000 0.871 395 D CB 0.529 41.100 40.800 -0.382 0.000 0.943 395 D HN 0.444 8.715 8.370 -0.165 0.000 0.518 396 Y N -7.773 112.287 120.300 -0.400 0.000 2.670 396 Y HA 0.673 nan 4.550 nan 0.000 0.334 396 Y C -2.664 173.163 175.900 -0.122 0.000 1.185 396 Y CA -2.607 55.329 58.100 -0.274 0.000 1.053 396 Y CB 1.994 40.458 38.460 0.006 0.000 1.298 396 Y HN -0.938 7.088 8.280 -0.424 0.000 0.459 397 T N 1.445 116.027 114.554 0.047 0.000 2.824 397 T HA 0.589 nan 4.350 nan 0.000 0.282 397 T C -2.383 172.420 174.700 0.171 0.000 0.993 397 T CA -0.269 61.821 62.100 -0.017 0.000 0.967 397 T CB 1.891 70.690 68.868 -0.115 0.000 0.960 397 T HN 0.561 8.761 8.240 0.109 0.106 0.441 398 L N 5.768 127.055 121.223 0.108 0.000 2.289 398 L HA 0.675 nan 4.340 nan 0.000 0.285 398 L C -2.212 174.627 176.870 -0.051 0.000 1.049 398 L CA -1.482 53.362 54.840 0.006 0.000 0.804 398 L CB 2.364 44.428 42.059 0.008 0.000 1.195 398 L HN 0.824 9.072 8.230 0.030 0.000 0.428 399 R N 6.203 126.642 120.500 -0.102 0.000 2.393 399 R HA 0.485 nan 4.340 nan 0.000 0.315 399 R C -1.970 174.256 176.300 -0.124 0.000 0.952 399 R CA -1.611 54.418 56.100 -0.119 0.000 0.842 399 R CB 1.886 32.065 30.300 -0.200 0.000 1.163 399 R HN 0.900 9.094 8.270 -0.127 0.000 0.450 400 E N 6.643 126.736 120.200 -0.178 0.000 2.052 400 E HA 0.288 nan 4.350 nan 0.000 0.283 400 E C -1.732 174.669 176.600 -0.331 0.000 1.071 400 E CA -0.440 55.692 56.400 -0.447 0.000 0.851 400 E CB 0.855 30.259 29.700 -0.493 0.000 1.066 400 E HN 0.479 8.761 8.360 -0.129 0.000 0.396 401 L N 6.467 127.508 121.223 -0.304 0.000 2.317 401 L HA 0.593 nan 4.340 nan 0.000 0.281 401 L C -1.176 175.591 176.870 -0.172 0.000 1.024 401 L CA -1.396 53.358 54.840 -0.143 0.000 0.810 401 L CB 2.033 44.113 42.059 0.035 0.000 1.240 401 L HN 0.727 8.723 8.230 -0.390 0.000 0.427 402 K N 2.464 122.788 120.400 -0.126 0.000 2.293 402 K HA 0.636 nan 4.320 nan 0.000 0.267 402 K C -1.752 174.806 176.600 -0.069 0.000 1.010 402 K CA -0.826 55.406 56.287 -0.092 0.000 0.875 402 K CB 1.553 34.009 32.500 -0.074 0.000 1.106 402 K HN 0.545 8.729 8.250 -0.109 0.000 0.450 403 L N 6.972 128.187 121.223 -0.012 0.000 2.313 403 L HA 0.732 nan 4.340 nan 0.000 0.283 403 L C -2.490 174.460 176.870 0.133 0.000 1.013 403 L CA -1.483 53.373 54.840 0.025 0.000 0.816 403 L CB 2.669 44.814 42.059 0.144 0.000 1.236 403 L HN 0.828 9.065 8.230 0.012 0.000 0.419 404 S N 4.329 120.081 115.700 0.086 0.000 2.588 404 S HA 0.592 nan 4.470 nan 0.000 0.275 404 S C -2.139 172.431 174.600 -0.048 0.000 1.130 404 S CA -1.452 56.819 58.200 0.118 0.000 0.855 404 S CB 3.183 66.417 63.200 0.057 0.000 1.116 404 S HN 0.895 9.204 8.310 -0.001 0.000 0.472 405 K N 2.095 122.413 120.400 -0.138 0.000 2.312 405 K HA 0.259 nan 4.320 nan 0.000 0.287 405 K C 0.129 176.654 176.600 -0.125 0.000 1.062 405 K CA -0.551 55.563 56.287 -0.288 0.000 0.934 405 K CB 0.756 33.023 32.500 -0.388 0.000 1.027 405 K HN 0.068 8.335 8.250 0.029 0.000 0.478 406 V N 7.417 127.261 119.914 -0.116 0.000 2.681 406 V HA -0.291 nan 4.120 nan 0.000 0.306 406 V C 0.777 176.837 176.094 -0.057 0.000 1.077 406 V CA 2.606 64.862 62.300 -0.073 0.000 1.224 406 V CB -0.644 31.137 31.823 -0.069 0.000 0.879 406 V HN 0.591 8.697 8.190 -0.140 0.000 0.494 407 G N 6.602 115.380 108.800 -0.037 0.000 2.217 407 G HA2 -0.384 nan 3.960 nan 0.000 0.246 407 G HA3 -0.384 nan 3.960 nan 0.000 0.246 407 G C -0.518 174.374 174.900 -0.012 0.000 0.990 407 G CA 0.193 45.279 45.100 -0.024 0.000 0.627 407 G HN 0.411 8.680 8.290 -0.035 0.000 0.522 408 Q N 1.640 121.434 119.800 -0.011 0.000 2.558 408 Q HA 0.202 nan 4.340 nan 0.000 0.252 408 Q C -0.931 175.086 176.000 0.028 0.000 1.015 408 Q CA -1.932 53.878 55.803 0.013 0.000 0.720 408 Q CB 1.183 29.936 28.738 0.024 0.000 1.215 408 Q HN -0.188 7.975 8.270 -0.024 0.092 0.500 409 G N 1.902 110.716 108.800 0.023 0.000 2.491 409 G HA2 -0.156 nan 3.960 nan 0.000 0.242 409 G HA3 -0.156 nan 3.960 nan 0.000 0.242 409 G C -0.645 174.279 174.900 0.041 0.000 1.266 409 G CA -0.313 44.803 45.100 0.028 0.000 0.844 409 G HN 0.366 8.666 8.290 0.016 0.000 0.571 410 N N -1.410 117.318 118.700 0.047 0.000 2.901 410 N HA -0.265 nan 4.740 nan 0.000 0.248 410 N C -0.054 175.501 175.510 0.075 0.000 1.044 410 N CA 0.961 54.041 53.050 0.051 0.000 0.847 410 N CB -1.748 36.762 38.487 0.039 0.000 1.127 410 N HN 0.317 8.722 8.380 0.042 0.000 0.562 411 T N -5.684 108.939 114.554 0.115 0.000 3.054 411 T HA 0.096 nan 4.350 nan 0.000 0.255 411 T C -0.507 174.316 174.700 0.205 0.000 1.035 411 T CA -0.237 61.982 62.100 0.199 0.000 0.941 411 T CB 1.145 70.226 68.868 0.356 0.000 1.026 411 T HN -0.294 7.940 8.240 0.102 0.067 0.533 412 E N 2.568 122.843 120.200 0.125 0.000 2.384 412 E HA 0.011 nan 4.350 nan 0.000 0.266 412 E C -0.700 175.939 176.600 0.065 0.000 1.012 412 E CA 0.924 57.383 56.400 0.098 0.000 0.901 412 E CB 0.574 30.307 29.700 0.054 0.000 0.967 412 E HN -0.355 7.979 8.360 0.095 0.082 0.435 413 R N 4.234 124.770 120.500 0.060 0.000 2.707 413 R HA 0.283 nan 4.340 nan 0.000 0.272 413 R C -1.592 174.714 176.300 0.010 0.000 1.011 413 R CA -1.749 54.370 56.100 0.032 0.000 0.893 413 R CB 1.958 32.266 30.300 0.013 0.000 1.233 413 R HN 0.595 8.919 8.270 0.091 0.000 0.464 414 T N 3.006 117.549 114.554 -0.019 0.000 2.832 414 T HA 0.358 nan 4.350 nan 0.000 0.296 414 T C -1.281 173.341 174.700 -0.130 0.000 0.968 414 T CA 0.611 62.616 62.100 -0.159 0.000 1.107 414 T CB 0.158 68.864 68.868 -0.269 0.000 0.916 414 T HN 0.042 8.294 8.240 0.020 0.000 0.517 415 V N 5.469 125.279 119.914 -0.173 0.000 2.487 415 V HA 0.519 nan 4.120 nan 0.000 0.298 415 V C -1.619 174.407 176.094 -0.112 0.000 1.028 415 V CA -1.046 61.263 62.300 0.014 0.000 0.860 415 V CB 2.460 34.426 31.823 0.239 0.000 0.991 415 V HN 0.921 8.887 8.190 -0.188 0.112 0.427 416 W N 6.515 127.884 121.300 0.116 0.000 2.291 416 W HA 0.337 nan 4.660 nan 0.000 0.312 416 W C -1.434 175.110 176.519 0.042 0.000 1.061 416 W CA -1.770 55.593 57.345 0.031 0.000 1.296 416 W CB 0.674 30.158 29.460 0.041 0.000 1.223 416 W HN 0.913 9.241 8.180 0.426 0.108 0.421 417 Q N 4.639 124.515 119.800 0.126 0.000 2.349 417 Q HA 0.390 nan 4.340 nan 0.000 0.254 417 Q C -1.010 175.005 176.000 0.026 0.000 0.980 417 Q CA -0.960 54.909 55.803 0.110 0.000 0.924 417 Q CB 2.075 30.820 28.738 0.013 0.000 1.209 417 Q HN 0.703 8.999 8.270 0.044 0.000 0.445 418 Y N 8.171 128.576 120.300 0.175 0.000 2.535 418 Y HA 0.140 nan 4.550 nan 0.000 0.349 418 Y C -1.610 174.496 175.900 0.343 0.000 0.992 418 Y CA -0.596 57.662 58.100 0.263 0.000 1.248 418 Y CB -0.116 38.404 38.460 0.100 0.000 1.124 418 Y HN 1.039 9.582 8.280 0.438 0.000 0.520 419 H N 6.709 125.932 119.070 0.256 0.000 2.787 419 H HA 0.241 nan 4.556 nan 0.000 0.275 419 H C -1.280 174.134 175.328 0.144 0.000 1.183 419 H CA -3.052 53.053 56.048 0.094 0.000 1.290 419 H CB 1.563 31.240 29.762 -0.142 0.000 1.438 419 H HN 0.870 9.382 8.280 0.387 0.000 0.487 420 F N 8.745 128.764 119.950 0.116 0.000 2.472 420 F HA -0.075 nan 4.527 nan 0.000 0.364 420 F C -2.035 173.719 175.800 -0.076 0.000 1.090 420 F CA 0.767 58.641 58.000 -0.212 0.000 1.188 420 F CB 0.767 39.438 39.000 -0.549 0.000 1.105 420 F HN 0.520 9.077 8.300 0.429 0.000 0.536 421 R N 4.163 124.335 120.500 -0.547 0.000 2.307 421 R HA 0.098 nan 4.340 nan 0.000 0.200 421 R C 0.865 176.996 176.300 -0.282 0.000 0.893 421 R CA 0.912 56.783 56.100 -0.382 0.000 1.042 421 R CB 1.349 31.369 30.300 -0.466 0.000 1.059 421 R HN 0.634 8.373 8.270 -0.886 0.000 0.530 422 T N -4.584 109.667 114.554 -0.505 0.000 3.186 422 T HA 0.075 nan 4.350 nan 0.000 0.257 422 T C -0.506 174.249 174.700 0.093 0.000 1.029 422 T CA -1.717 60.226 62.100 -0.262 0.000 0.916 422 T CB -0.359 68.257 68.868 -0.420 0.000 1.041 422 T HN -0.788 6.793 8.240 -1.098 0.000 0.562 423 W N 3.207 124.604 121.300 0.162 0.000 2.397 423 W HA 0.043 nan 4.660 nan 0.000 0.327 423 W C -1.117 175.440 176.519 0.063 0.000 1.421 423 W CA -2.970 54.489 57.345 0.189 0.000 1.288 423 W CB -0.280 29.283 29.460 0.172 0.000 1.312 423 W HN -0.413 7.996 8.180 0.475 0.056 0.559 424 P HA -0.028 nan 4.420 nan 0.000 0.271 424 P C -1.313 176.125 177.300 0.229 0.000 1.233 424 P CA -0.228 63.003 63.100 0.217 0.000 0.789 424 P CB 0.609 32.395 31.700 0.144 0.000 0.951 425 D N -3.157 117.283 120.400 0.067 0.000 2.149 425 D HA -0.154 nan 4.640 nan 0.000 0.201 425 D C 0.394 176.579 176.300 -0.191 0.000 0.972 425 D CA 1.811 55.745 54.000 -0.110 0.000 0.835 425 D CB 0.164 40.804 40.800 -0.268 0.000 0.966 425 D HN 0.231 8.641 8.370 0.067 0.000 0.476 426 H N -0.253 118.867 119.070 0.083 0.000 2.488 426 H HA 0.081 nan 4.556 nan 0.000 0.322 426 H C 0.282 175.664 175.328 0.091 0.000 1.078 426 H CA -0.565 55.522 56.048 0.065 0.000 1.260 426 H CB 0.521 30.307 29.762 0.039 0.000 1.425 426 H HN -0.444 7.894 8.280 0.097 0.000 0.471 427 G N 3.108 112.029 108.800 0.201 0.000 2.528 427 G HA2 -0.355 nan 3.960 nan 0.000 0.262 427 G HA3 -0.355 nan 3.960 nan 0.000 0.262 427 G C -2.070 172.974 174.900 0.241 0.000 1.200 427 G CA 0.055 45.252 45.100 0.161 0.000 0.951 427 G HN 0.320 8.706 8.290 0.160 0.000 0.566 428 V N -4.466 115.494 119.914 0.077 0.000 3.074 428 V HA 0.578 nan 4.120 nan 0.000 0.314 428 V C -2.059 173.856 176.094 -0.298 0.000 1.117 428 V CA -3.714 58.508 62.300 -0.130 0.000 1.014 428 V CB 1.106 32.853 31.823 -0.126 0.000 1.057 428 V HN -0.012 8.194 8.190 0.026 0.000 0.438 429 P HA -0.070 nan 4.420 nan 0.000 0.263 429 P C -0.934 176.237 177.300 -0.217 0.000 1.168 429 P CA 0.947 63.831 63.100 -0.361 0.000 0.759 429 P CB 0.316 31.745 31.700 -0.452 0.000 0.782 430 S N 0.468 116.089 115.700 -0.132 0.000 2.554 430 S HA 0.046 nan 4.470 nan 0.000 0.226 430 S C -0.335 174.210 174.600 -0.091 0.000 0.980 430 S CA 0.275 58.416 58.200 -0.097 0.000 0.939 430 S CB 0.273 63.436 63.200 -0.060 0.000 0.832 430 S HN -0.034 8.212 8.310 -0.107 0.000 0.486 431 D N 2.538 122.878 120.400 -0.101 0.000 2.454 431 D HA 0.384 nan 4.640 nan 0.000 0.247 431 D C -1.469 174.732 176.300 -0.166 0.000 1.129 431 D CA -2.852 51.084 54.000 -0.107 0.000 0.877 431 D CB 1.412 42.183 40.800 -0.049 0.000 1.082 431 D HN -0.386 7.866 8.370 -0.104 0.055 0.537 432 P HA 0.023 nan 4.420 nan 0.000 0.226 432 P C 1.082 178.159 177.300 -0.372 0.000 1.153 432 P CA 0.659 63.529 63.100 -0.384 0.000 0.777 432 P CB 0.314 31.667 31.700 -0.580 0.000 0.794 433 G N -1.072 107.515 108.800 -0.354 0.000 2.480 433 G HA2 -0.317 nan 3.960 nan 0.000 0.216 433 G HA3 -0.317 nan 3.960 nan 0.000 0.216 433 G C 1.144 176.083 174.900 0.066 0.000 1.200 433 G CA 1.851 46.910 45.100 -0.069 0.000 0.782 433 G HN -0.474 7.682 8.290 -0.367 -0.087 0.554 434 G N 0.414 109.262 108.800 0.080 0.000 2.422 434 G HA2 -0.229 nan 3.960 nan 0.000 0.218 434 G HA3 -0.229 nan 3.960 nan 0.000 0.218 434 G C 1.414 176.467 174.900 0.254 0.000 1.140 434 G CA 1.613 46.825 45.100 0.186 0.000 0.775 434 G HN -0.372 8.223 8.290 0.031 -0.287 0.545 435 V N 3.482 123.482 119.914 0.143 0.000 2.343 435 V HA -0.388 nan 4.120 nan 0.000 0.247 435 V C 1.969 178.152 176.094 0.148 0.000 1.051 435 V CA 3.804 66.156 62.300 0.087 0.000 1.036 435 V CB -0.550 31.216 31.823 -0.093 0.000 0.654 435 V HN -0.694 7.533 8.190 0.061 0.000 0.451 436 L N -1.635 119.659 121.223 0.118 0.000 2.179 436 L HA -0.393 nan 4.340 nan 0.000 0.208 436 L C 1.918 178.894 176.870 0.177 0.000 1.096 436 L CA 3.203 58.129 54.840 0.142 0.000 0.779 436 L CB -0.481 41.704 42.059 0.211 0.000 0.922 436 L HN 0.076 8.351 8.230 0.075 0.000 0.443 437 D N 0.774 121.301 120.400 0.211 0.000 2.092 437 D HA -0.339 nan 4.640 nan 0.000 0.193 437 D C 2.198 178.635 176.300 0.228 0.000 0.994 437 D CA 4.531 58.668 54.000 0.227 0.000 0.828 437 D CB -0.185 40.769 40.800 0.257 0.000 0.963 437 D HN 0.091 8.583 8.370 0.202 0.000 0.450 438 F N 0.764 120.780 119.950 0.110 0.000 2.095 438 F HA -0.338 nan 4.527 nan 0.000 0.298 438 F C 1.258 177.016 175.800 -0.071 0.000 1.104 438 F CA 3.313 61.294 58.000 -0.032 0.000 1.232 438 F CB 0.282 39.340 39.000 0.096 0.000 0.987 438 F HN -0.277 8.287 8.300 0.441 0.000 0.475 439 L N -1.271 119.982 121.223 0.050 0.000 2.042 439 L HA -0.532 nan 4.340 nan 0.000 0.210 439 L C 1.603 178.387 176.870 -0.144 0.000 1.076 439 L CA 3.698 58.502 54.840 -0.059 0.000 0.749 439 L CB -0.237 41.803 42.059 -0.032 0.000 0.893 439 L HN 0.054 8.443 8.230 0.264 0.000 0.432 440 E N -1.261 118.910 120.200 -0.050 0.000 2.077 440 E HA -0.394 nan 4.350 nan 0.000 0.193 440 E C 2.269 178.897 176.600 0.046 0.000 0.989 440 E CA 2.991 59.399 56.400 0.013 0.000 0.800 440 E CB -0.467 29.328 29.700 0.159 0.000 0.746 440 E HN 0.106 8.371 8.360 0.020 0.107 0.452 441 E N -0.180 119.992 120.200 -0.046 0.000 2.031 441 E HA -0.251 nan 4.350 nan 0.000 0.193 441 E C 2.434 178.792 176.600 -0.403 0.000 0.994 441 E CA 2.759 59.090 56.400 -0.115 0.000 0.800 441 E CB -0.304 29.329 29.700 -0.113 0.000 0.752 441 E HN -0.424 7.903 8.360 -0.055 0.000 0.447 442 V N -0.145 119.295 119.914 -0.791 0.000 2.332 442 V HA -0.448 nan 4.120 nan 0.000 0.248 442 V C 1.830 177.672 176.094 -0.421 0.000 1.055 442 V CA 4.940 66.689 62.300 -0.919 0.000 1.038 442 V CB -0.901 30.370 31.823 -0.919 0.000 0.651 442 V HN -0.008 7.682 8.190 -0.835 0.000 0.450 443 H N -0.202 118.653 119.070 -0.358 0.000 2.321 443 H HA -0.397 nan 4.556 nan 0.000 0.300 443 H C 1.887 177.039 175.328 -0.294 0.000 1.087 443 H CA 4.317 60.176 56.048 -0.316 0.000 1.319 443 H CB 0.084 29.608 29.762 -0.397 0.000 1.379 443 H HN 0.075 8.224 8.280 -0.218 0.000 0.501 444 H N -0.669 118.265 119.070 -0.226 0.000 2.428 444 H HA -0.243 nan 4.556 nan 0.000 0.296 444 H C 2.152 177.334 175.328 -0.243 0.000 1.062 444 H CA 3.240 59.163 56.048 -0.209 0.000 1.350 444 H CB 0.204 29.927 29.762 -0.067 0.000 1.403 444 H HN -0.192 7.902 8.280 -0.156 0.092 0.533 445 K N -0.113 120.197 120.400 -0.150 0.000 2.002 445 K HA -0.359 nan 4.320 nan 0.000 0.209 445 K C 2.563 179.045 176.600 -0.196 0.000 1.048 445 K CA 2.604 58.764 56.287 -0.213 0.000 0.930 445 K CB -0.385 32.003 32.500 -0.188 0.000 0.714 445 K HN 0.004 8.158 8.250 -0.159 0.000 0.438 446 Q N -0.666 119.009 119.800 -0.208 0.000 2.061 446 Q HA -0.290 nan 4.340 nan 0.000 0.204 446 Q C 2.677 178.560 176.000 -0.195 0.000 0.984 446 Q CA 2.983 58.680 55.803 -0.178 0.000 0.846 446 Q CB -0.310 28.301 28.738 -0.210 0.000 0.902 446 Q HN -0.298 7.827 8.270 -0.243 0.000 0.421 447 E N -1.849 118.173 120.200 -0.297 0.000 2.204 447 E HA -0.234 nan 4.350 nan 0.000 0.195 447 E C 1.125 177.657 176.600 -0.115 0.000 0.990 447 E CA 2.198 58.458 56.400 -0.233 0.000 0.821 447 E CB 0.034 29.542 29.700 -0.320 0.000 0.750 447 E HN -0.230 7.877 8.360 -0.422 0.000 0.477 448 S N -3.644 111.995 115.700 -0.101 0.000 2.561 448 S HA -0.088 nan 4.470 nan 0.000 0.225 448 S C 0.391 174.969 174.600 -0.037 0.000 0.977 448 S CA 1.515 59.679 58.200 -0.060 0.000 0.926 448 S CB 0.614 63.772 63.200 -0.070 0.000 0.769 448 S HN -0.494 7.717 8.310 -0.132 0.019 0.533 449 I N 4.686 125.234 120.570 -0.037 0.000 2.307 449 I HA 0.055 nan 4.170 nan 0.000 0.289 449 I C -1.378 174.735 176.117 -0.006 0.000 1.021 449 I CA -0.920 60.383 61.300 0.004 0.000 1.224 449 I CB 0.568 38.593 38.000 0.042 0.000 1.376 449 I HN -0.800 7.200 8.210 -0.064 0.172 0.470 450 M N 7.982 127.583 119.600 0.002 0.000 2.303 450 M HA -0.190 nan 4.480 nan 0.000 0.350 450 M C -0.293 176.002 176.300 -0.009 0.000 1.518 450 M CA 0.551 55.848 55.300 -0.006 0.000 1.070 450 M CB -0.787 31.814 32.600 0.000 0.000 1.910 450 M HN 0.687 8.983 8.290 0.011 0.000 0.458 451 D N -2.936 117.452 120.400 -0.020 0.000 3.041 451 D HA -0.306 nan 4.640 nan 0.000 0.220 451 D C -0.699 175.583 176.300 -0.030 0.000 1.157 451 D CA 0.926 54.911 54.000 -0.026 0.000 0.876 451 D CB -1.467 39.319 40.800 -0.023 0.000 1.107 451 D HN 0.393 8.748 8.370 -0.024 0.000 0.422 452 A N -0.933 121.871 122.820 -0.027 0.000 2.531 452 A HA -0.104 nan 4.320 nan 0.000 0.236 452 A C 0.102 177.657 177.584 -0.047 0.000 1.062 452 A CA 0.897 52.919 52.037 -0.024 0.000 0.760 452 A CB 0.569 19.559 19.000 -0.015 0.000 0.995 452 A HN -0.734 7.340 8.150 -0.024 0.062 0.501 453 G N 2.150 110.921 108.800 -0.048 0.000 2.508 453 G HA2 0.293 nan 3.960 nan 0.000 0.278 453 G HA3 0.293 nan 3.960 nan 0.000 0.278 453 G C -2.503 172.350 174.900 -0.078 0.000 1.389 453 G CA -1.610 43.452 45.100 -0.063 0.000 1.050 453 G HN 0.260 8.453 8.290 -0.038 0.074 0.522 454 P HA -0.218 nan 4.420 nan 0.000 0.266 454 P C -1.131 176.116 177.300 -0.089 0.000 1.186 454 P CA 0.251 63.285 63.100 -0.110 0.000 0.767 454 P CB 0.260 31.919 31.700 -0.069 0.000 0.820 455 V N 3.397 123.235 119.914 -0.127 0.000 2.439 455 V HA -0.059 nan 4.120 nan 0.000 0.271 455 V C 0.360 176.502 176.094 0.080 0.000 1.040 455 V CA 0.265 62.554 62.300 -0.017 0.000 1.002 455 V CB -0.538 31.280 31.823 -0.008 0.000 1.000 455 V HN 0.107 8.136 8.190 -0.269 0.000 0.477 456 V N 9.764 129.718 119.914 0.067 0.000 2.470 456 V HA 0.294 nan 4.120 nan 0.000 0.276 456 V C -1.130 175.045 176.094 0.135 0.000 1.040 456 V CA 0.707 63.057 62.300 0.083 0.000 1.008 456 V CB -0.438 31.397 31.823 0.019 0.000 0.990 456 V HN 0.204 8.426 8.190 0.053 0.000 0.477 457 V N 7.165 127.165 119.914 0.144 0.000 2.540 457 V HA 0.853 nan 4.120 nan 0.000 0.302 457 V C -1.948 174.210 176.094 0.107 0.000 1.035 457 V CA -1.818 60.525 62.300 0.072 0.000 0.873 457 V CB 1.844 33.729 31.823 0.102 0.000 0.992 457 V HN 1.026 9.306 8.190 0.151 0.000 0.428 458 H N 1.476 120.545 119.070 -0.002 0.000 3.012 458 H HA 0.845 nan 4.556 nan 0.000 0.367 458 H C -1.876 173.420 175.328 -0.053 0.000 1.211 458 H CA -1.108 54.926 56.048 -0.024 0.000 1.139 458 H CB 2.917 32.661 29.762 -0.030 0.000 1.838 458 H HN 0.687 8.800 8.280 -0.278 0.000 0.550 459 C N -0.511 118.839 119.300 0.084 0.000 4.334 459 C HA 0.619 nan 4.460 nan 0.000 0.217 459 C C -0.454 174.594 174.990 0.097 0.000 3.698 459 C CA -2.025 56.998 59.018 0.009 0.000 1.802 459 C CB 1.999 29.643 27.740 -0.159 0.000 4.505 459 C HN 0.009 8.305 8.230 0.109 0.000 0.490 460 S N 2.597 118.324 115.700 0.046 0.000 2.303 460 S HA -0.214 nan 4.470 nan 0.000 0.207 460 S C 1.898 176.633 174.600 0.226 0.000 1.025 460 S CA 2.995 61.279 58.200 0.140 0.000 0.953 460 S CB 0.159 63.464 63.200 0.176 0.000 0.932 460 S HN 0.419 8.707 8.310 -0.036 0.000 0.472 461 A N 1.051 124.019 122.820 0.246 0.000 2.119 461 A HA 0.077 nan 4.320 nan 0.000 0.216 461 A C 0.393 178.038 177.584 0.100 0.000 1.152 461 A CA 0.720 52.903 52.037 0.243 0.000 0.708 461 A CB -0.188 18.892 19.000 0.134 0.000 0.805 461 A HN 0.205 8.465 8.150 0.184 0.000 0.460 462 G N -3.791 105.039 108.800 0.050 0.000 2.137 462 G HA2 -0.355 nan 3.960 nan 0.000 0.237 462 G HA3 -0.355 nan 3.960 nan 0.000 0.237 462 G C -0.376 174.522 174.900 -0.003 0.000 1.002 462 G CA 1.277 46.392 45.100 0.025 0.000 0.702 462 G HN -0.299 7.972 8.290 0.040 0.043 0.515 463 I N -7.996 112.562 120.570 -0.020 0.000 4.706 463 I HA 0.352 nan 4.170 nan 0.000 0.321 463 I C -0.228 175.871 176.117 -0.029 0.000 1.249 463 I CA 0.209 61.498 61.300 -0.018 0.000 1.321 463 I CB 0.478 38.477 38.000 -0.002 0.000 1.342 463 I HN -0.782 7.412 8.210 -0.026 0.000 0.463 464 G N 0.858 109.609 108.800 -0.081 0.000 2.658 464 G HA2 -0.173 nan 3.960 nan 0.000 0.217 464 G HA3 -0.173 nan 3.960 nan 0.000 0.217 464 G C 1.143 175.972 174.900 -0.119 0.000 1.319 464 G CA 1.648 46.684 45.100 -0.107 0.000 0.885 464 G HN 0.160 8.391 8.290 -0.097 0.000 0.553 465 R N 1.261 121.590 120.500 -0.284 0.000 2.091 465 R HA -0.282 nan 4.340 nan 0.000 0.238 465 R C 2.448 178.662 176.300 -0.144 0.000 1.136 465 R CA 3.977 59.804 56.100 -0.456 0.000 0.959 465 R CB -0.421 29.263 30.300 -1.026 0.000 0.856 465 R HN 0.280 8.341 8.270 -0.347 0.000 0.437 466 T N 1.260 115.747 114.554 -0.110 0.000 2.684 466 T HA -0.226 nan 4.350 nan 0.000 0.267 466 T C 1.967 176.690 174.700 0.039 0.000 1.036 466 T CA 5.145 67.241 62.100 -0.007 0.000 1.148 466 T CB -0.495 68.368 68.868 -0.010 0.000 0.863 466 T HN -0.552 7.590 8.240 -0.164 0.000 0.436 467 G N 0.973 109.777 108.800 0.008 0.000 2.422 467 G HA2 -0.304 nan 3.960 nan 0.000 0.218 467 G HA3 -0.304 nan 3.960 nan 0.000 0.218 467 G C 0.809 175.716 174.900 0.011 0.000 1.146 467 G CA 2.173 47.276 45.100 0.004 0.000 0.769 467 G HN -0.534 7.636 8.290 -0.012 0.113 0.547 468 T N 5.700 120.290 114.554 0.060 0.000 2.674 468 T HA -0.282 nan 4.350 nan 0.000 0.265 468 T C 1.561 176.289 174.700 0.048 0.000 1.039 468 T CA 5.004 67.151 62.100 0.079 0.000 1.150 468 T CB -0.447 68.534 68.868 0.189 0.000 0.864 468 T HN -0.306 7.969 8.240 0.058 0.000 0.427 469 F N 2.515 122.477 119.950 0.020 0.000 2.043 469 F HA -0.457 nan 4.527 nan 0.000 0.297 469 F C 1.105 176.827 175.800 -0.131 0.000 1.121 469 F CA 3.808 61.794 58.000 -0.023 0.000 1.199 469 F CB 0.155 39.168 39.000 0.023 0.000 0.968 469 F HN -0.214 8.272 8.300 0.309 0.000 0.478 470 I N -1.821 118.677 120.570 -0.121 0.000 2.208 470 I HA -0.644 nan 4.170 nan 0.000 0.245 470 I C 1.864 177.691 176.117 -0.483 0.000 1.097 470 I CA 4.455 65.477 61.300 -0.464 0.000 1.363 470 I CB -0.269 37.436 38.000 -0.491 0.000 1.051 470 I HN -0.393 7.871 8.210 0.090 0.000 0.413 471 V N 0.303 120.041 119.914 -0.294 0.000 2.295 471 V HA -0.471 nan 4.120 nan 0.000 0.246 471 V C 1.923 177.855 176.094 -0.270 0.000 1.049 471 V CA 4.733 66.894 62.300 -0.232 0.000 1.024 471 V CB -0.791 30.950 31.823 -0.136 0.000 0.648 471 V HN -0.237 7.828 8.190 -0.209 0.000 0.447 472 I N -0.350 120.037 120.570 -0.305 0.000 2.151 472 I HA -0.702 nan 4.170 nan 0.000 0.243 472 I C 1.474 177.346 176.117 -0.409 0.000 1.080 472 I CA 4.682 65.776 61.300 -0.343 0.000 1.339 472 I CB -0.462 37.330 38.000 -0.347 0.000 1.039 472 I HN -0.192 7.855 8.210 -0.272 0.000 0.409 473 D N -0.471 119.609 120.400 -0.534 0.000 2.178 473 D HA -0.262 nan 4.640 nan 0.000 0.201 473 D C 2.613 178.763 176.300 -0.249 0.000 0.980 473 D CA 3.691 57.418 54.000 -0.455 0.000 0.842 473 D CB 0.050 40.551 40.800 -0.498 0.000 0.948 473 D HN -0.111 7.865 8.370 -0.655 0.000 0.472 474 I N -0.035 120.405 120.570 -0.216 0.000 2.202 474 I HA -0.490 nan 4.170 nan 0.000 0.242 474 I C 1.809 177.841 176.117 -0.143 0.000 1.091 474 I CA 3.886 65.123 61.300 -0.106 0.000 1.368 474 I CB 0.097 38.038 38.000 -0.098 0.000 1.058 474 I HN -0.100 7.832 8.210 -0.303 0.096 0.410 475 L N -0.693 120.415 121.223 -0.192 0.000 2.017 475 L HA -0.412 nan 4.340 nan 0.000 0.208 475 L C 2.185 178.920 176.870 -0.224 0.000 1.073 475 L CA 3.619 58.346 54.840 -0.188 0.000 0.745 475 L CB -0.252 41.680 42.059 -0.211 0.000 0.894 475 L HN -0.301 7.799 8.230 -0.217 0.000 0.432 476 I N -1.248 119.124 120.570 -0.331 0.000 2.394 476 I HA -0.583 nan 4.170 nan 0.000 0.251 476 I C 1.680 177.546 176.117 -0.418 0.000 1.136 476 I CA 4.231 65.227 61.300 -0.507 0.000 1.425 476 I CB -0.517 37.022 38.000 -0.768 0.000 1.079 476 I HN 0.286 8.293 8.210 -0.338 0.000 0.425 477 D N 0.620 120.836 120.400 -0.307 0.000 2.178 477 D HA -0.230 nan 4.640 nan 0.000 0.201 477 D C 2.493 178.713 176.300 -0.135 0.000 0.980 477 D CA 3.967 57.834 54.000 -0.222 0.000 0.842 477 D CB -0.373 40.356 40.800 -0.120 0.000 0.948 477 D HN -0.335 7.864 8.370 -0.286 0.000 0.472 478 I N 0.131 120.634 120.570 -0.113 0.000 2.142 478 I HA -0.540 nan 4.170 nan 0.000 0.240 478 I C 1.569 177.656 176.117 -0.051 0.000 1.078 478 I CA 4.179 65.438 61.300 -0.068 0.000 1.343 478 I CB 0.045 38.008 38.000 -0.062 0.000 1.046 478 I HN -0.526 7.515 8.210 -0.134 0.089 0.405 479 I N -0.589 119.947 120.570 -0.057 0.000 2.179 479 I HA -0.621 nan 4.170 nan 0.000 0.242 479 I C 1.761 177.898 176.117 0.033 0.000 1.088 479 I CA 4.290 65.595 61.300 0.009 0.000 1.357 479 I CB -0.259 37.785 38.000 0.073 0.000 1.051 479 I HN -0.374 7.780 8.210 -0.095 0.000 0.409 480 R N -1.590 118.907 120.500 -0.005 0.000 2.193 480 R HA -0.281 nan 4.340 nan 0.000 0.229 480 R C 1.554 177.852 176.300 -0.004 0.000 1.110 480 R CA 2.939 59.046 56.100 0.012 0.000 0.988 480 R CB -0.464 29.780 30.300 -0.095 0.000 0.871 480 R HN 0.190 8.406 8.270 -0.090 0.000 0.458 481 E N -0.738 119.450 120.200 -0.019 0.000 2.132 481 E HA -0.047 nan 4.350 nan 0.000 0.193 481 E C 1.144 177.744 176.600 0.000 0.000 0.951 481 E CA 1.475 57.871 56.400 -0.007 0.000 0.843 481 E CB 0.920 30.612 29.700 -0.013 0.000 0.807 481 E HN -0.610 7.696 8.360 -0.038 0.032 0.467 482 K N -2.590 117.808 120.400 -0.002 0.000 2.404 482 K HA 0.095 nan 4.320 nan 0.000 0.194 482 K C 0.135 176.738 176.600 0.005 0.000 1.023 482 K CA -1.473 54.814 56.287 0.001 0.000 1.094 482 K CB 0.263 32.761 32.500 -0.003 0.000 0.841 482 K HN -0.061 8.184 8.250 -0.008 0.000 0.523 483 G N -0.896 107.911 108.800 0.011 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 -0.200 174.709 174.900 0.016 0.000 1.412 483 G CA -0.432 44.675 45.100 0.013 0.000 0.864 483 G HN -0.562 7.671 8.290 0.013 0.065 0.544 484 V N 0.224 120.144 119.914 0.010 0.000 3.241 484 V HA -0.117 nan 4.120 nan 0.000 0.269 484 V C -0.002 176.097 176.094 0.007 0.000 1.151 484 V CA 1.892 64.198 62.300 0.010 0.000 1.158 484 V CB -0.193 31.626 31.823 -0.007 0.000 0.764 484 V HN 0.278 8.470 8.190 0.003 0.000 0.508 485 D N -2.425 117.977 120.400 0.004 0.000 2.340 485 D HA 0.061 nan 4.640 nan 0.000 0.220 485 D C -0.065 176.237 176.300 0.004 0.000 1.039 485 D CA 0.530 54.532 54.000 0.003 0.000 0.866 485 D CB -0.232 40.568 40.800 0.001 0.000 0.913 485 D HN 0.062 8.351 8.370 0.004 0.084 0.523 486 C N -0.640 118.662 119.300 0.004 0.000 2.656 486 C HA 0.153 nan 4.460 nan 0.000 0.391 486 C C -0.398 174.593 174.990 0.002 0.000 1.300 486 C CA -2.300 56.719 59.018 0.002 0.000 2.302 486 C CB 1.754 29.493 27.740 -0.002 0.000 2.655 486 C HN -0.721 7.447 8.230 0.006 0.066 0.656 487 D N 1.297 121.698 120.400 0.001 0.000 2.304 487 D HA 0.593 nan 4.640 nan 0.000 0.250 487 D C -0.702 175.594 176.300 -0.007 0.000 1.107 487 D CA 0.903 54.903 54.000 0.001 0.000 0.885 487 D CB 1.208 42.010 40.800 0.004 0.000 1.192 487 D HN 0.024 8.395 8.370 0.001 0.000 0.436 488 I N -3.848 116.716 120.570 -0.010 0.000 2.828 488 I HA 0.537 nan 4.170 nan 0.000 0.302 488 I C -2.169 173.935 176.117 -0.022 0.000 1.101 488 I CA -2.602 58.681 61.300 -0.029 0.000 1.031 488 I CB 4.253 42.218 38.000 -0.057 0.000 1.231 488 I HN 0.620 8.830 8.210 -0.000 0.000 0.427 489 D N 3.423 123.804 120.400 -0.032 0.000 2.402 489 D HA 0.289 nan 4.640 nan 0.000 0.252 489 D C 0.045 176.324 176.300 -0.035 0.000 1.294 489 D CA -0.859 53.136 54.000 -0.009 0.000 0.948 489 D CB 1.747 42.554 40.800 0.011 0.000 1.202 489 D HN 0.367 8.712 8.370 -0.042 0.000 0.561 490 V N 5.729 125.596 119.914 -0.079 0.000 2.261 490 V HA -0.185 nan 4.120 nan 0.000 0.246 490 V C -0.761 175.349 176.094 0.026 0.000 1.047 490 V CA 5.600 67.802 62.300 -0.163 0.000 1.015 490 V CB -2.217 29.286 31.823 -0.532 0.000 0.642 490 V HN 0.692 8.847 8.190 -0.060 0.000 0.446 491 P HA -0.251 nan 4.420 nan 0.000 0.215 491 P C 1.302 178.669 177.300 0.112 0.000 1.153 491 P CA 3.138 66.374 63.100 0.227 0.000 0.853 491 P CB -0.524 31.306 31.700 0.217 0.000 0.788 492 K N -2.392 118.050 120.400 0.070 0.000 2.057 492 K HA -0.329 nan 4.320 nan 0.000 0.207 492 K C 2.286 178.909 176.600 0.038 0.000 1.049 492 K CA 3.643 59.957 56.287 0.045 0.000 0.931 492 K CB -0.210 32.309 32.500 0.032 0.000 0.714 492 K HN -0.601 7.884 8.250 0.071 -0.192 0.440 493 T N 2.497 117.063 114.554 0.020 0.000 2.746 493 T HA -0.258 nan 4.350 nan 0.000 0.267 493 T C 2.247 176.961 174.700 0.022 0.000 1.039 493 T CA 4.894 66.996 62.100 0.004 0.000 1.142 493 T CB -0.552 68.291 68.868 -0.040 0.000 0.866 493 T HN -0.224 8.023 8.240 0.011 0.000 0.444 494 I N 1.527 122.125 120.570 0.047 0.000 2.142 494 I HA -0.604 nan 4.170 nan 0.000 0.240 494 I C 1.236 177.404 176.117 0.085 0.000 1.078 494 I CA 4.186 65.534 61.300 0.080 0.000 1.343 494 I CB -0.392 37.704 38.000 0.160 0.000 1.046 494 I HN -0.072 8.169 8.210 0.052 0.000 0.405 495 Q N -0.373 119.475 119.800 0.080 0.000 2.112 495 Q HA -0.376 nan 4.340 nan 0.000 0.206 495 Q C 2.506 178.561 176.000 0.093 0.000 0.987 495 Q CA 3.031 58.879 55.803 0.074 0.000 0.858 495 Q CB -0.431 28.337 28.738 0.050 0.000 0.905 495 Q HN -0.053 8.266 8.270 0.082 0.000 0.420 496 M N -0.913 118.734 119.600 0.079 0.000 2.149 496 M HA -0.290 nan 4.480 nan 0.000 0.261 496 M C 2.267 178.630 176.300 0.106 0.000 1.064 496 M CA 3.065 58.418 55.300 0.087 0.000 1.102 496 M CB -0.144 32.492 32.600 0.060 0.000 1.369 496 M HN -0.231 8.097 8.290 0.064 0.000 0.408 497 V N -0.101 119.865 119.914 0.086 0.000 2.591 497 V HA -0.383 nan 4.120 nan 0.000 0.249 497 V C 2.533 178.706 176.094 0.132 0.000 1.053 497 V CA 3.983 66.333 62.300 0.083 0.000 1.068 497 V CB -0.990 30.849 31.823 0.027 0.000 0.689 497 V HN -0.027 8.121 8.190 0.068 0.083 0.462 498 R N -1.556 119.033 120.500 0.149 0.000 2.237 498 R HA -0.226 nan 4.340 nan 0.000 0.219 498 R C 1.581 178.104 176.300 0.372 0.000 1.080 498 R CA 2.471 58.693 56.100 0.204 0.000 0.995 498 R CB -0.524 29.869 30.300 0.155 0.000 0.875 498 R HN 0.610 8.953 8.270 0.122 0.000 0.462 499 S N -2.459 113.453 115.700 0.353 0.000 2.603 499 S HA -0.061 nan 4.470 nan 0.000 0.220 499 S C 0.595 175.529 174.600 0.558 0.000 0.967 499 S CA 2.268 60.766 58.200 0.497 0.000 0.920 499 S CB 0.628 64.041 63.200 0.355 0.000 0.773 499 S HN -0.504 7.923 8.310 0.249 0.032 0.529 500 Q N -0.997 119.068 119.800 0.443 0.000 2.316 500 Q HA 0.107 nan 4.340 nan 0.000 0.235 500 Q C -0.328 175.831 176.000 0.265 0.000 0.863 500 Q CA 0.264 56.261 55.803 0.323 0.000 0.939 500 Q CB 2.574 31.403 28.738 0.151 0.000 1.108 500 Q HN -0.231 8.058 8.270 0.346 0.189 0.522 501 R N -1.082 119.507 120.500 0.148 0.000 2.561 501 R HA 0.213 nan 4.340 nan 0.000 0.266 501 R C -2.138 174.009 176.300 -0.255 0.000 1.091 501 R CA -0.522 55.419 56.100 -0.264 0.000 0.927 501 R CB 2.869 33.085 30.300 -0.141 0.000 1.240 501 R HN -0.550 7.859 8.270 0.231 0.000 0.449 502 S N 6.669 122.031 115.700 -0.563 0.000 2.537 502 S HA -0.091 nan 4.470 nan 0.000 0.286 502 S C 0.605 175.193 174.600 -0.020 0.000 1.299 502 S CA 2.281 60.360 58.200 -0.202 0.000 1.067 502 S CB 0.039 63.119 63.200 -0.199 0.000 0.864 502 S HN 0.812 8.595 8.310 -0.879 0.000 0.494 503 G N 2.626 111.474 108.800 0.080 0.000 2.179 503 G HA2 -0.261 nan 3.960 nan 0.000 0.257 503 G HA3 -0.261 nan 3.960 nan 0.000 0.257 503 G C 0.193 175.151 174.900 0.097 0.000 1.010 503 G CA 0.330 45.502 45.100 0.121 0.000 0.736 503 G HN 0.150 8.510 8.290 0.116 0.000 0.513 504 M N 1.288 120.933 119.600 0.074 0.000 2.327 504 M HA -0.172 nan 4.480 nan 0.000 0.353 504 M C 0.160 176.517 176.300 0.094 0.000 1.539 504 M CA 0.548 55.884 55.300 0.061 0.000 1.039 504 M CB -0.355 32.274 32.600 0.047 0.000 1.967 504 M HN -0.838 7.452 8.290 0.072 0.044 0.459 505 V N 3.545 123.510 119.914 0.085 0.000 3.480 505 V HA -0.532 nan 4.120 nan 0.000 0.494 505 V C 0.068 176.263 176.094 0.169 0.000 0.682 505 V CA 1.030 63.407 62.300 0.128 0.000 2.039 505 V CB -1.692 30.245 31.823 0.191 0.000 2.474 505 V HN 0.649 8.870 8.190 0.051 0.000 0.505 506 Q N 4.057 123.922 119.800 0.108 0.000 2.387 506 Q HA 0.187 nan 4.340 nan 0.000 0.212 506 Q C 0.507 176.581 176.000 0.123 0.000 0.925 506 Q CA 1.120 56.969 55.803 0.078 0.000 0.901 506 Q CB 1.623 30.307 28.738 -0.090 0.000 1.020 506 Q HN 0.853 9.510 8.270 0.065 -0.348 0.545 507 T N -3.881 110.686 114.554 0.021 0.000 2.940 507 T HA 0.309 nan 4.350 nan 0.000 0.288 507 T C 0.124 174.533 174.700 -0.486 0.000 1.045 507 T CA -2.052 59.986 62.100 -0.104 0.000 1.018 507 T CB 3.104 71.916 68.868 -0.094 0.000 1.151 507 T HN -0.408 8.112 8.240 0.014 -0.272 0.529 508 E N 2.922 122.701 120.200 -0.702 0.000 2.107 508 E HA -0.360 nan 4.350 nan 0.000 0.191 508 E C 0.628 177.037 176.600 -0.318 0.000 0.982 508 E CA 3.610 59.486 56.400 -0.875 0.000 0.809 508 E CB -0.360 29.075 29.700 -0.441 0.000 0.756 508 E HN 0.579 8.703 8.360 -0.392 0.000 0.459 509 A N -1.457 121.254 122.820 -0.183 0.000 1.908 509 A HA -0.273 nan 4.320 nan 0.000 0.218 509 A C 2.602 180.133 177.584 -0.088 0.000 1.181 509 A CA 3.037 55.009 52.037 -0.109 0.000 0.627 509 A CB -0.877 18.094 19.000 -0.048 0.000 0.818 509 A HN 0.123 8.175 8.150 -0.165 0.000 0.445 510 Q N -1.626 118.144 119.800 -0.050 0.000 2.119 510 Q HA -0.309 nan 4.340 nan 0.000 0.201 510 Q C 2.455 178.453 176.000 -0.002 0.000 0.972 510 Q CA 2.843 58.653 55.803 0.012 0.000 0.847 510 Q CB 0.058 28.837 28.738 0.068 0.000 0.903 510 Q HN -0.514 7.715 8.270 -0.068 0.000 0.433 511 Y N 1.652 121.852 120.300 -0.167 0.000 2.114 511 Y HA -0.476 nan 4.550 nan 0.000 0.284 511 Y C 1.433 177.308 175.900 -0.042 0.000 1.143 511 Y CA 3.505 61.555 58.100 -0.083 0.000 1.135 511 Y CB 0.032 38.392 38.460 -0.167 0.000 0.980 511 Y HN -0.247 7.945 8.280 -0.035 0.067 0.499 512 R N -1.830 118.578 120.500 -0.153 0.000 2.103 512 R HA -0.529 nan 4.340 nan 0.000 0.242 512 R C 2.264 178.389 176.300 -0.292 0.000 1.142 512 R CA 3.443 59.223 56.100 -0.532 0.000 0.960 512 R CB -0.213 29.627 30.300 -0.767 0.000 0.858 512 R HN 0.329 8.564 8.270 -0.057 0.000 0.439 513 S N -0.286 115.298 115.700 -0.193 0.000 2.400 513 S HA -0.254 nan 4.470 nan 0.000 0.232 513 S C 2.274 176.797 174.600 -0.128 0.000 1.025 513 S CA 3.635 61.748 58.200 -0.144 0.000 0.993 513 S CB -0.712 62.414 63.200 -0.123 0.000 0.808 513 S HN -0.397 7.737 8.310 -0.173 0.072 0.478 514 I N 1.871 122.349 120.570 -0.154 0.000 2.252 514 I HA -0.448 nan 4.170 nan 0.000 0.245 514 I C 1.538 177.533 176.117 -0.203 0.000 1.102 514 I CA 3.920 65.096 61.300 -0.206 0.000 1.385 514 I CB -0.408 37.418 38.000 -0.289 0.000 1.064 514 I HN -0.439 7.665 8.210 -0.159 0.011 0.414 515 Y N -0.950 119.251 120.300 -0.166 0.000 2.133 515 Y HA -0.468 nan 4.550 nan 0.000 0.287 515 Y C 2.233 178.126 175.900 -0.012 0.000 1.134 515 Y CA 4.206 62.279 58.100 -0.045 0.000 1.133 515 Y CB -0.278 38.252 38.460 0.116 0.000 0.987 515 Y HN -0.954 7.221 8.280 -0.041 0.081 0.502 516 M N -2.003 117.671 119.600 0.124 0.000 2.106 516 M HA -0.512 nan 4.480 nan 0.000 0.259 516 M C 2.461 178.799 176.300 0.064 0.000 1.068 516 M CA 1.763 57.108 55.300 0.074 0.000 1.100 516 M CB -1.617 30.978 32.600 -0.009 0.000 1.351 516 M HN 0.031 8.367 8.290 0.077 0.000 0.404 517 A N -0.633 122.188 122.820 0.001 0.000 1.902 517 A HA -0.223 nan 4.320 nan 0.000 0.217 517 A C 2.323 179.942 177.584 0.058 0.000 1.181 517 A CA 3.360 55.397 52.037 0.000 0.000 0.623 517 A CB -0.771 18.175 19.000 -0.089 0.000 0.818 517 A HN 0.120 8.246 8.150 -0.039 0.000 0.443 518 V N -0.175 119.744 119.914 0.009 0.000 2.515 518 V HA -0.473 nan 4.120 nan 0.000 0.250 518 V C 1.848 178.013 176.094 0.118 0.000 1.058 518 V CA 4.129 66.448 62.300 0.032 0.000 1.064 518 V CB -1.143 30.643 31.823 -0.062 0.000 0.675 518 V HN -0.298 7.868 8.190 -0.041 0.000 0.461 519 Q N 0.280 120.155 119.800 0.124 0.000 2.020 519 Q HA -0.453 nan 4.340 nan 0.000 0.202 519 Q C 1.585 177.654 176.000 0.114 0.000 0.982 519 Q CA 3.704 59.582 55.803 0.125 0.000 0.838 519 Q CB -0.164 28.659 28.738 0.142 0.000 0.899 519 Q HN 0.414 8.683 8.270 0.117 0.071 0.423 520 H N 0.660 119.766 119.070 0.060 0.000 2.319 520 H HA -0.377 nan 4.556 nan 0.000 0.299 520 H C 2.028 177.390 175.328 0.057 0.000 1.092 520 H CA 4.195 60.272 56.048 0.048 0.000 1.302 520 H CB 0.528 30.316 29.762 0.043 0.000 1.373 520 H HN -0.155 8.265 8.280 0.234 0.000 0.497 521 Y N 0.091 120.414 120.300 0.039 0.000 2.114 521 Y HA -0.493 nan 4.550 nan 0.000 0.282 521 Y C 2.371 178.228 175.900 -0.072 0.000 1.165 521 Y CA 3.339 61.425 58.100 -0.024 0.000 1.148 521 Y CB -0.183 38.262 38.460 -0.025 0.000 0.972 521 Y HN -0.254 8.224 8.280 0.330 0.000 0.504 522 I N -3.432 117.139 120.570 0.001 0.000 2.179 522 I HA -0.494 nan 4.170 nan 0.000 0.242 522 I C 2.265 178.291 176.117 -0.152 0.000 1.088 522 I CA 2.237 63.492 61.300 -0.075 0.000 1.357 522 I CB -0.770 37.241 38.000 0.018 0.000 1.051 522 I HN 0.151 8.446 8.210 0.142 0.000 0.409 523 E N -1.119 118.996 120.200 -0.142 0.000 2.511 523 E HA -0.147 nan 4.350 nan 0.000 0.196 523 E C 0.874 177.332 176.600 -0.237 0.000 1.066 523 E CA 1.776 58.081 56.400 -0.158 0.000 0.871 523 E CB -0.181 29.451 29.700 -0.114 0.000 0.863 523 E HN 0.228 8.345 8.360 -0.107 0.179 0.520 524 T N -4.311 110.048 114.554 -0.324 0.000 3.258 524 T HA 0.278 nan 4.350 nan 0.000 0.263 524 T C -0.785 173.741 174.700 -0.288 0.000 0.983 524 T CA -0.930 60.987 62.100 -0.304 0.000 0.907 524 T CB -0.258 68.408 68.868 -0.337 0.000 1.096 524 T HN -0.129 7.739 8.240 -0.343 0.166 0.556 525 L N 0.000 121.063 121.223 -0.267 0.000 2.949 525 L HA 0.000 nan 4.340 nan 0.000 0.249 525 L CA 0.000 54.702 54.840 -0.230 0.000 0.813 525 L CB 0.000 41.876 42.059 -0.306 0.000 0.961 525 L HN 0.000 7.925 8.230 -0.239 0.162 0.502