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 1p1k_1_A DATA FIRST_RESID 9 DATA SEQUENCE ITSVKVVTDK CTYKDNELLT KYSYENAVVT KTASGRFDVT PTVQDYVFKL DATA SEQUENCE DLKKPEKLGI MLIGLGGNNG STLVASVLAN KHNVEFQTKE GVKQPNYFGS DATA SEQUENCE MTQCSTLKLG IDAEGNDVYA PFNSLLPMVS PNDFVVSGWD INNADLYEAM DATA SEQUENCE QRSQVLEYDL QQRLKAKMSL VKPLPSIYYP DFIAANQDER ANNCINLDEK DATA SEQUENCE GNVTTRGKWT HLQRIRRDIQ NFKEENALDK VIVLWTANTE RYVEVSPGVN DATA SEQUENCE DTMENLLQSI KNDHEEIAPS TIFAAASILE GVPYINGSPQ NTFVPGLVQL DATA SEQUENCE AEHEGTFIAG DDLKSGQTKL KSVLAQFLVD AGIKPVSIAS YNHLGNNDGY DATA SEQUENCE NLSAPKQFRS KEISKSSVID DIIASNDILY NDKLGKKVDH CIVIKYMKPV DATA SEQUENCE GDSKVAMDEY YSELMLGGHN RISIHNVCED SLLATPLIID LLVMTEFCTR DATA SEQUENCE VSYKKVDPVK EDAGKFENFY PVLTFLSYWL KAPLTRPGFH PVNGLNKQRT DATA SEQUENCE ALENFLRLLI GLPSQNELRF EERLL 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 9 I HA 0.000 nan 4.170 nan 0.000 0.288 9 I C 0.000 176.122 176.117 0.009 0.000 1.063 9 I CA 0.000 61.306 61.300 0.010 0.000 1.566 9 I CB 0.000 38.006 38.000 0.011 0.000 1.214 10 T N 1.409 115.970 114.554 0.011 0.000 2.897 10 T HA 0.786 5.137 4.350 0.002 0.000 0.294 10 T C 0.191 174.894 174.700 0.006 0.000 1.004 10 T CA -0.365 61.740 62.100 0.009 0.000 1.106 10 T CB 1.556 70.431 68.868 0.013 0.000 0.949 10 T HN 0.816 nan 8.240 nan 0.000 0.520 11 S N 0.676 116.376 115.700 0.000 0.000 2.685 11 S HA 0.772 5.243 4.470 0.002 0.000 0.282 11 S C -1.212 173.383 174.600 -0.009 0.000 1.159 11 S CA -0.937 57.261 58.200 -0.003 0.000 0.833 11 S CB 1.476 64.674 63.200 -0.003 0.000 1.151 11 S HN 0.804 nan 8.310 nan 0.000 0.485 12 V N 1.045 120.953 119.914 -0.011 0.000 2.577 12 V HA 0.604 4.725 4.120 0.002 0.000 0.303 12 V C -0.692 175.396 176.094 -0.010 0.000 1.042 12 V CA -0.594 61.696 62.300 -0.017 0.000 0.872 12 V CB 1.653 33.458 31.823 -0.030 0.000 0.998 12 V HN 0.985 nan 8.190 nan 0.000 0.423 13 K N 4.166 124.558 120.400 -0.014 0.000 2.449 13 K HA 0.632 4.953 4.320 0.002 0.000 0.257 13 K C -1.369 175.229 176.600 -0.003 0.000 0.989 13 K CA -0.424 55.855 56.287 -0.013 0.000 0.916 13 K CB 1.646 34.129 32.500 -0.029 0.000 1.136 13 K HN 0.500 nan 8.250 nan 0.000 0.439 14 V N 4.947 124.870 119.914 0.015 0.000 2.385 14 V HA 0.091 4.212 4.120 0.002 0.000 0.269 14 V C -0.003 176.110 176.094 0.032 0.000 1.043 14 V CA -0.804 61.507 62.300 0.018 0.000 0.906 14 V CB 1.283 33.119 31.823 0.021 0.000 0.995 14 V HN 0.566 nan 8.190 nan 0.000 0.467 15 V N 6.480 126.406 119.914 0.021 0.000 2.352 15 V HA 0.457 4.578 4.120 0.002 0.000 0.253 15 V C 0.295 176.411 176.094 0.036 0.000 1.083 15 V CA 0.853 63.168 62.300 0.026 0.000 0.993 15 V CB 0.671 32.503 31.823 0.015 0.000 1.111 15 V HN 1.040 nan 8.190 nan 0.000 0.490 16 T N 3.593 118.179 114.554 0.054 0.000 2.883 16 T HA 0.362 4.713 4.350 0.002 0.000 0.301 16 T C 0.290 175.032 174.700 0.070 0.000 1.158 16 T CA -0.037 62.098 62.100 0.059 0.000 1.007 16 T CB 1.853 70.760 68.868 0.064 0.000 1.186 16 T HN 0.754 nan 8.240 nan 0.000 0.499 17 D N 1.508 121.947 120.400 0.066 0.000 2.340 17 D HA 0.116 4.757 4.640 0.002 0.000 0.217 17 D C 0.888 177.235 176.300 0.078 0.000 1.081 17 D CA -0.128 53.913 54.000 0.068 0.000 0.842 17 D CB 0.302 41.135 40.800 0.055 0.000 0.934 17 D HN 0.529 nan 8.370 nan 0.000 0.511 18 K N -0.254 120.198 120.400 0.087 0.000 2.400 18 K HA 0.141 4.462 4.320 0.002 0.000 0.194 18 K C 0.244 176.905 176.600 0.102 0.000 1.033 18 K CA 0.182 56.531 56.287 0.103 0.000 1.021 18 K CB 0.526 33.099 32.500 0.121 0.000 0.808 18 K HN 0.111 nan 8.250 nan 0.000 0.505 19 C N 1.752 121.109 119.300 0.096 0.000 2.379 19 C HA 0.465 4.926 4.460 0.002 0.000 0.323 19 C C 0.253 175.309 174.990 0.110 0.000 1.262 19 C CA -0.932 58.132 59.018 0.077 0.000 1.581 19 C CB 1.058 28.855 27.740 0.095 0.000 2.221 19 C HN 0.366 nan 8.230 nan 0.000 0.497 20 T N 0.089 114.660 114.554 0.028 0.000 2.900 20 T HA 0.677 5.028 4.350 0.002 0.000 0.295 20 T C -1.365 173.310 174.700 -0.042 0.000 1.044 20 T CA -0.480 61.683 62.100 0.105 0.000 0.995 20 T CB 1.046 69.964 68.868 0.084 0.000 1.072 20 T HN 0.455 nan 8.240 nan 0.000 0.473 21 Y N 1.104 121.418 120.300 0.023 0.000 2.341 21 Y HA 0.680 5.231 4.550 0.002 0.000 0.337 21 Y C 0.460 176.366 175.900 0.010 0.000 1.014 21 Y CA -0.993 57.116 58.100 0.014 0.000 1.111 21 Y CB 1.856 40.322 38.460 0.010 0.000 1.194 21 Y HN 0.759 nan 8.280 nan 0.000 0.462 22 K N 3.407 123.855 120.400 0.080 0.000 2.687 22 K HA 0.254 4.575 4.320 0.002 0.000 0.249 22 K C -1.616 175.001 176.600 0.028 0.000 0.994 22 K CA -0.527 55.791 56.287 0.052 0.000 0.913 22 K CB 0.681 33.195 32.500 0.024 0.000 1.202 22 K HN 0.700 nan 8.250 nan 0.000 0.460 23 D N 4.053 124.477 120.400 0.040 0.000 3.082 23 D HA -0.201 4.440 4.640 0.002 0.000 0.234 23 D C -0.341 175.969 176.300 0.017 0.000 1.159 23 D CA 0.944 54.958 54.000 0.023 0.000 0.875 23 D CB -0.764 40.039 40.800 0.006 0.000 0.946 23 D HN 0.922 nan 8.370 nan 0.000 0.411 24 N N -0.115 118.610 118.700 0.042 0.000 2.708 24 N HA -0.239 4.502 4.740 0.002 0.000 0.251 24 N C -0.700 174.815 175.510 0.008 0.000 1.123 24 N CA 1.593 54.666 53.050 0.037 0.000 0.739 24 N CB -0.212 38.284 38.487 0.015 0.000 1.113 24 N HN 0.694 nan 8.380 nan 0.000 0.561 25 E N -0.118 120.076 120.200 -0.011 0.000 2.314 25 E HA 0.405 4.756 4.350 0.002 0.000 0.272 25 E C -0.766 175.724 176.600 -0.184 0.000 0.884 25 E CA -0.862 55.484 56.400 -0.091 0.000 0.753 25 E CB 2.116 31.745 29.700 -0.119 0.000 1.213 25 E HN 0.092 nan 8.360 nan 0.000 0.432 26 L N 3.227 124.280 121.223 -0.283 0.000 2.307 26 L HA 0.469 4.810 4.340 0.002 0.000 0.284 26 L C -1.668 175.031 176.870 -0.285 0.000 1.023 26 L CA -0.321 54.200 54.840 -0.531 0.000 0.810 26 L CB 0.835 42.562 42.059 -0.553 0.000 1.231 26 L HN 0.491 nan 8.230 nan 0.000 0.423 27 L N 5.079 126.159 121.223 -0.238 0.000 2.305 27 L HA 0.625 4.966 4.340 0.002 0.000 0.284 27 L C -0.467 176.409 176.870 0.010 0.000 1.013 27 L CA -0.248 54.563 54.840 -0.048 0.000 0.819 27 L CB 1.920 43.983 42.059 0.007 0.000 1.227 27 L HN 0.639 nan 8.230 nan 0.000 0.417 28 T N 2.512 117.139 114.554 0.123 0.000 2.879 28 T HA 0.361 4.712 4.350 0.002 0.000 0.290 28 T C -0.502 174.374 174.700 0.293 0.000 0.993 28 T CA -0.849 61.354 62.100 0.172 0.000 0.975 28 T CB 1.563 70.515 68.868 0.140 0.000 0.981 28 T HN 0.357 nan 8.240 nan 0.000 0.439 29 K N 2.285 122.835 120.400 0.250 0.000 2.174 29 K HA 0.524 4.845 4.320 0.002 0.000 0.275 29 K C -1.205 175.635 176.600 0.400 0.000 1.015 29 K CA -0.748 55.705 56.287 0.277 0.000 0.933 29 K CB 0.958 33.563 32.500 0.175 0.000 1.025 29 K HN 0.605 nan 8.250 nan 0.000 0.463 30 Y N 0.224 120.708 120.300 0.306 0.000 2.442 30 Y HA 0.166 4.717 4.550 0.002 0.000 0.330 30 Y C -1.229 174.879 175.900 0.345 0.000 1.100 30 Y CA -0.722 57.581 58.100 0.338 0.000 1.034 30 Y CB 2.062 40.806 38.460 0.474 0.000 1.285 30 Y HN 0.551 nan 8.280 nan 0.000 0.440 31 S N 6.741 122.168 115.700 -0.455 0.000 2.423 31 S HA 0.272 4.743 4.470 0.002 0.000 0.317 31 S C -1.268 172.934 174.600 -0.664 0.000 1.065 31 S CA -0.367 57.615 58.200 -0.363 0.000 1.111 31 S CB -0.326 62.765 63.200 -0.181 0.000 0.968 31 S HN 0.613 nan 8.310 nan 0.000 0.474 32 Y N 4.415 124.463 120.300 -0.420 0.000 2.393 32 Y HA 0.359 4.910 4.550 0.002 0.000 0.338 32 Y C 0.184 176.084 175.900 0.000 0.000 1.029 32 Y CA -0.055 57.983 58.100 -0.104 0.000 1.239 32 Y CB 0.402 39.115 38.460 0.422 0.000 1.170 32 Y HN 0.586 nan 8.280 nan 0.000 0.515 33 E N 5.083 124.970 120.200 -0.521 0.000 2.195 33 E HA 0.296 4.647 4.350 0.002 0.000 0.271 33 E C -1.023 175.214 176.600 -0.605 0.000 0.923 33 E CA -0.938 55.192 56.400 -0.450 0.000 0.790 33 E CB 1.669 31.241 29.700 -0.215 0.000 1.155 33 E HN 0.672 nan 8.360 nan 0.000 0.402 34 N N 0.383 118.848 118.700 -0.392 0.000 3.439 34 N HA 0.726 5.467 4.740 0.002 0.000 0.313 34 N C -2.149 173.298 175.510 -0.105 0.000 1.598 34 N CA -0.479 52.425 53.050 -0.244 0.000 0.830 34 N CB 1.903 40.265 38.487 -0.210 0.000 1.849 34 N HN 0.470 nan 8.380 nan 0.000 0.598 35 A N -0.038 122.757 122.820 -0.043 0.000 2.540 35 A HA 0.576 4.897 4.320 0.002 0.000 0.297 35 A C -1.590 175.999 177.584 0.009 0.000 1.056 35 A CA -0.476 51.551 52.037 -0.017 0.000 0.700 35 A CB 0.722 19.710 19.000 -0.019 0.000 1.280 35 A HN 0.277 nan 8.150 nan 0.000 0.398 36 V N 1.693 121.616 119.914 0.016 0.000 2.539 36 V HA 0.659 4.780 4.120 0.002 0.000 0.292 36 V C 0.000 176.114 176.094 0.034 0.000 1.045 36 V CA -0.458 61.857 62.300 0.025 0.000 0.945 36 V CB 1.431 33.268 31.823 0.023 0.000 0.993 36 V HN 0.745 nan 8.190 nan 0.000 0.464 37 V N 2.855 122.796 119.914 0.046 0.000 2.914 37 V HA 0.830 4.951 4.120 0.002 0.000 0.314 37 V C -0.123 176.020 176.094 0.083 0.000 1.084 37 V CA -0.515 61.836 62.300 0.084 0.000 0.963 37 V CB 2.454 34.351 31.823 0.123 0.000 1.025 37 V HN 1.047 nan 8.190 nan 0.000 0.432 38 T N -0.006 114.604 114.554 0.094 0.000 2.933 38 T HA 0.572 4.923 4.350 0.002 0.000 0.305 38 T C -1.004 173.693 174.700 -0.004 0.000 1.092 38 T CA -0.866 61.257 62.100 0.038 0.000 1.008 38 T CB 2.012 70.885 68.868 0.008 0.000 1.102 38 T HN 0.666 nan 8.240 nan 0.000 0.469 39 K N 2.278 122.615 120.400 -0.104 0.000 2.389 39 K HA 0.403 4.724 4.320 0.002 0.000 0.261 39 K C -0.184 176.277 176.600 -0.231 0.000 1.014 39 K CA -0.403 55.687 56.287 -0.327 0.000 0.920 39 K CB 0.617 32.815 32.500 -0.504 0.000 1.149 39 K HN 0.750 nan 8.250 nan 0.000 0.444 40 T N 2.993 117.427 114.554 -0.200 0.000 2.903 40 T HA -0.105 4.246 4.350 0.002 0.000 0.299 40 T C 1.600 176.222 174.700 -0.130 0.000 1.041 40 T CA 0.624 62.646 62.100 -0.129 0.000 1.138 40 T CB 0.856 69.662 68.868 -0.103 0.000 1.040 40 T HN 0.766 nan 8.240 nan 0.000 0.524 41 A N 3.881 126.649 122.820 -0.087 0.000 1.915 41 A HA -0.211 4.110 4.320 0.002 0.000 0.220 41 A C 2.555 180.093 177.584 -0.077 0.000 1.198 41 A CA 2.603 54.596 52.037 -0.073 0.000 0.647 41 A CB -1.280 17.691 19.000 -0.049 0.000 0.825 41 A HN 0.995 nan 8.150 nan 0.000 0.456 42 S N -1.708 113.949 115.700 -0.072 0.000 2.359 42 S HA 0.213 4.684 4.470 0.002 0.000 0.224 42 S C 1.505 176.054 174.600 -0.084 0.000 1.035 42 S CA 1.883 60.045 58.200 -0.063 0.000 1.018 42 S CB -0.623 62.547 63.200 -0.051 0.000 0.876 42 S HN 1.989 nan 8.310 nan 0.000 0.448 43 G N 0.375 109.096 108.800 -0.130 0.000 2.665 43 G HA2 0.033 3.994 3.960 0.002 0.000 0.220 43 G HA3 0.033 3.994 3.960 0.002 0.000 0.220 43 G C -0.159 174.595 174.900 -0.242 0.000 1.002 43 G CA -0.238 44.753 45.100 -0.182 0.000 0.893 43 G HN 0.629 nan 8.290 nan 0.000 0.586 44 R N -0.382 119.980 120.500 -0.230 0.000 2.674 44 R HA 0.805 5.146 4.340 0.002 0.000 0.266 44 R C -1.043 175.071 176.300 -0.310 0.000 1.016 44 R CA -0.765 55.236 56.100 -0.164 0.000 1.062 44 R CB 0.758 31.029 30.300 -0.047 0.000 1.142 44 R HN -0.056 nan 8.270 nan 0.000 0.517 45 F N 1.321 121.270 119.950 -0.002 0.000 2.402 45 F HA 0.259 4.787 4.527 0.002 0.000 0.355 45 F C -0.359 175.440 175.800 -0.003 0.000 1.123 45 F CA -0.663 57.336 58.000 -0.002 0.000 1.021 45 F CB 1.677 40.676 39.000 -0.001 0.000 1.160 45 F HN 0.301 nan 8.300 nan 0.000 0.451 46 D N 3.603 124.082 120.400 0.131 0.000 2.359 46 D HA 0.316 4.958 4.640 0.002 0.000 0.230 46 D C -0.585 175.769 176.300 0.089 0.000 1.118 46 D CA 0.044 54.093 54.000 0.081 0.000 0.844 46 D CB 1.910 42.730 40.800 0.035 0.000 1.059 46 D HN 0.093 nan 8.370 nan 0.000 0.493 47 V N 3.056 123.015 119.914 0.075 0.000 2.328 47 V HA 0.286 4.407 4.120 0.002 0.000 0.278 47 V C 0.277 176.387 176.094 0.028 0.000 1.021 47 V CA -0.504 61.828 62.300 0.053 0.000 0.838 47 V CB 1.574 33.421 31.823 0.041 0.000 0.999 47 V HN 0.432 nan 8.190 nan 0.000 0.447 48 T N 7.604 122.171 114.554 0.022 0.000 2.770 48 T HA 0.392 4.743 4.350 0.002 0.000 0.297 48 T C -2.526 172.175 174.700 0.001 0.000 0.997 48 T CA -1.316 60.790 62.100 0.011 0.000 0.949 48 T CB 1.453 70.327 68.868 0.011 0.000 0.941 48 T HN 0.368 nan 8.240 nan 0.000 0.457 49 P HA 0.257 nan 4.420 nan 0.000 0.270 49 P C -0.022 177.265 177.300 -0.023 0.000 1.223 49 P CA -0.213 62.874 63.100 -0.022 0.000 0.785 49 P CB 0.498 32.183 31.700 -0.024 0.000 0.923 50 T N -1.709 112.822 114.554 -0.039 0.000 2.896 50 T HA 0.715 5.066 4.350 0.002 0.000 0.297 50 T C -1.065 173.600 174.700 -0.058 0.000 1.108 50 T CA -0.818 61.265 62.100 -0.029 0.000 1.004 50 T CB 1.396 70.265 68.868 0.001 0.000 1.159 50 T HN 0.267 nan 8.240 nan 0.000 0.499 51 V N 0.817 120.711 119.914 -0.033 0.000 3.087 51 V HA 0.890 5.011 4.120 0.002 0.000 0.306 51 V C -2.170 173.920 176.094 -0.006 0.000 1.187 51 V CA -0.511 61.763 62.300 -0.043 0.000 0.999 51 V CB 2.295 34.085 31.823 -0.056 0.000 1.049 51 V HN 1.321 nan 8.190 nan 0.000 0.431 52 Q N 3.289 123.095 119.800 0.011 0.000 2.418 52 Q HA 0.389 4.730 4.340 0.002 0.000 0.240 52 Q C -1.809 174.089 176.000 -0.171 0.000 0.859 52 Q CA -0.316 55.440 55.803 -0.078 0.000 0.916 52 Q CB 1.656 30.398 28.738 0.005 0.000 1.448 52 Q HN 0.814 nan 8.270 nan 0.000 0.439 53 D N 3.051 123.311 120.400 -0.234 0.000 2.304 53 D HA 0.371 5.012 4.640 0.002 0.000 0.247 53 D C -0.513 175.588 176.300 -0.332 0.000 1.089 53 D CA 0.372 54.275 54.000 -0.161 0.000 0.910 53 D CB 0.811 41.559 40.800 -0.086 0.000 1.199 53 D HN 0.462 nan 8.370 nan 0.000 0.426 54 Y N -0.719 119.628 120.300 0.078 0.000 2.609 54 Y HA 0.421 4.972 4.550 0.002 0.000 0.342 54 Y C -0.256 175.668 175.900 0.040 0.000 1.058 54 Y CA -1.024 57.075 58.100 -0.001 0.000 1.055 54 Y CB 1.964 40.360 38.460 -0.106 0.000 1.292 54 Y HN -0.008 nan 8.280 nan 0.000 0.476 55 V N 2.748 122.738 119.914 0.126 0.000 2.443 55 V HA 0.371 4.492 4.120 0.002 0.000 0.293 55 V C -1.139 175.077 176.094 0.202 0.000 1.021 55 V CA -0.889 61.526 62.300 0.193 0.000 0.848 55 V CB 0.928 32.838 31.823 0.145 0.000 0.998 55 V HN 0.501 nan 8.190 nan 0.000 0.424 56 F N 3.734 123.893 119.950 0.348 0.000 2.399 56 F HA 0.557 5.085 4.527 0.002 0.000 0.334 56 F C 0.432 176.334 175.800 0.169 0.000 1.097 56 F CA -0.364 57.813 58.000 0.295 0.000 1.076 56 F CB 1.426 40.532 39.000 0.177 0.000 1.162 56 F HN 0.229 nan 8.300 nan 0.000 0.495 57 K N 4.023 124.544 120.400 0.202 0.000 2.413 57 K HA 0.511 4.832 4.320 0.002 0.000 0.257 57 K C -1.974 174.573 176.600 -0.089 0.000 0.946 57 K CA -0.840 55.368 56.287 -0.133 0.000 0.823 57 K CB 1.505 33.589 32.500 -0.693 0.000 1.109 57 K HN 0.612 nan 8.250 nan 0.000 0.427 58 L N 4.392 125.548 121.223 -0.112 0.000 2.298 58 L HA 0.341 4.682 4.340 0.002 0.000 0.284 58 L C -0.739 176.046 176.870 -0.142 0.000 1.013 58 L CA -0.286 54.473 54.840 -0.134 0.000 0.824 58 L CB 1.352 43.329 42.059 -0.137 0.000 1.221 58 L HN 0.564 nan 8.230 nan 0.000 0.418 59 D N 4.467 124.784 120.400 -0.139 0.000 2.346 59 D HA 0.070 4.711 4.640 0.002 0.000 0.260 59 D C 1.005 177.262 176.300 -0.072 0.000 1.252 59 D CA 0.284 54.222 54.000 -0.103 0.000 0.895 59 D CB 0.832 41.578 40.800 -0.090 0.000 1.097 59 D HN 0.694 nan 8.370 nan 0.000 0.489 60 L N 3.190 124.392 121.223 -0.035 0.000 2.240 60 L HA 0.006 4.347 4.340 0.002 0.000 0.211 60 L C 1.610 178.495 176.870 0.024 0.000 1.106 60 L CA 0.464 55.311 54.840 0.013 0.000 0.793 60 L CB -0.184 41.909 42.059 0.055 0.000 0.927 60 L HN 0.243 nan 8.230 nan 0.000 0.446 61 K N 2.736 123.142 120.400 0.010 0.000 2.228 61 K HA 0.059 4.380 4.320 0.002 0.000 0.284 61 K C -0.023 176.587 176.600 0.017 0.000 1.088 61 K CA -0.152 56.145 56.287 0.016 0.000 0.941 61 K CB 0.229 32.734 32.500 0.007 0.000 1.158 61 K HN 0.139 nan 8.250 nan 0.000 0.438 62 K N 4.055 124.476 120.400 0.035 0.000 2.126 62 K HA 0.339 4.660 4.320 0.002 0.000 0.257 62 K C -2.270 174.356 176.600 0.043 0.000 1.007 62 K CA -1.651 54.665 56.287 0.048 0.000 0.928 62 K CB 0.306 32.853 32.500 0.079 0.000 1.013 62 K HN 0.238 nan 8.250 nan 0.000 0.473 63 P HA 0.014 nan 4.420 nan 0.000 0.271 63 P C -0.367 176.961 177.300 0.047 0.000 1.216 63 P CA 0.040 63.164 63.100 0.040 0.000 0.771 63 P CB 1.013 32.738 31.700 0.042 0.000 0.864 64 E N 1.152 121.371 120.200 0.032 0.000 2.204 64 E HA -0.081 4.270 4.350 0.002 0.000 0.194 64 E C 0.203 176.828 176.600 0.042 0.000 0.989 64 E CA 1.055 57.474 56.400 0.031 0.000 0.824 64 E CB 0.179 29.889 29.700 0.018 0.000 0.756 64 E HN 0.350 nan 8.360 nan 0.000 0.477 65 K N 0.404 120.830 120.400 0.043 0.000 2.501 65 K HA 0.329 4.650 4.320 0.002 0.000 0.252 65 K C -1.388 175.249 176.600 0.063 0.000 0.934 65 K CA -0.829 55.494 56.287 0.059 0.000 0.797 65 K CB 2.237 34.752 32.500 0.026 0.000 1.270 65 K HN -0.092 nan 8.250 nan 0.000 0.431 66 L N 1.131 122.420 121.223 0.110 0.000 2.325 66 L HA 0.576 4.917 4.340 0.002 0.000 0.281 66 L C 0.033 176.919 176.870 0.026 0.000 1.004 66 L CA -0.044 54.831 54.840 0.059 0.000 0.823 66 L CB 1.753 43.852 42.059 0.067 0.000 1.236 66 L HN 0.699 nan 8.230 nan 0.000 0.415 67 G N 6.044 114.866 108.800 0.038 0.000 2.403 67 G HA2 0.513 4.474 3.960 0.002 0.000 0.259 67 G HA3 0.513 4.474 3.960 0.002 0.000 0.259 67 G C -0.662 174.309 174.900 0.118 0.000 1.244 67 G CA -0.348 44.867 45.100 0.190 0.000 0.849 67 G HN 0.478 nan 8.290 nan 0.000 0.532 68 I N 2.505 123.121 120.570 0.076 0.000 2.466 68 I HA 0.329 4.500 4.170 0.002 0.000 0.289 68 I C -0.197 175.754 176.117 -0.276 0.000 1.026 68 I CA -0.577 60.628 61.300 -0.157 0.000 1.078 68 I CB 1.863 39.677 38.000 -0.311 0.000 1.249 68 I HN 0.372 nan 8.210 nan 0.000 0.429 69 M N 7.220 126.650 119.600 -0.283 0.000 2.085 69 M HA 0.487 4.968 4.480 0.002 0.000 0.309 69 M C -0.840 175.333 176.300 -0.212 0.000 0.947 69 M CA -0.445 54.577 55.300 -0.463 0.000 0.918 69 M CB 1.973 34.245 32.600 -0.547 0.000 1.504 69 M HN 0.286 nan 8.290 nan 0.000 0.420 70 L N 4.494 125.560 121.223 -0.260 0.000 2.307 70 L HA 0.561 4.902 4.340 0.002 0.000 0.282 70 L C -0.416 176.383 176.870 -0.119 0.000 1.051 70 L CA -0.718 54.020 54.840 -0.171 0.000 0.804 70 L CB 1.292 43.235 42.059 -0.193 0.000 1.197 70 L HN 0.648 nan 8.230 nan 0.000 0.431 71 I N 2.829 123.274 120.570 -0.209 0.000 2.291 71 I HA 0.388 4.559 4.170 0.002 0.000 0.290 71 I C 0.838 176.573 176.117 -0.636 0.000 1.050 71 I CA 0.175 61.203 61.300 -0.454 0.000 1.245 71 I CB 0.997 38.453 38.000 -0.908 0.000 1.405 71 I HN 0.897 nan 8.210 nan 0.000 0.478 72 G N 4.561 113.103 108.800 -0.430 0.000 2.155 72 G HA2 -0.210 3.751 3.960 0.002 0.000 0.135 72 G HA3 -0.210 3.751 3.960 0.002 0.000 0.135 72 G C 0.454 175.209 174.900 -0.241 0.000 1.023 72 G CA -0.227 44.647 45.100 -0.376 0.000 0.688 72 G HN 0.580 nan 8.290 nan 0.000 0.499 73 L N 0.905 122.006 121.223 -0.204 0.000 2.263 73 L HA 0.237 4.578 4.340 0.002 0.000 0.216 73 L C 2.195 178.987 176.870 -0.131 0.000 1.111 73 L CA 3.132 57.871 54.840 -0.168 0.000 0.773 73 L CB -0.185 41.763 42.059 -0.184 0.000 0.906 73 L HN 0.459 nan 8.230 nan 0.000 0.439 74 G N -1.459 107.267 108.800 -0.124 0.000 3.189 74 G HA2 0.325 4.286 3.960 0.002 0.000 0.225 74 G HA3 0.325 4.286 3.960 0.002 0.000 0.225 74 G C 0.726 175.571 174.900 -0.092 0.000 1.159 74 G CA 0.216 45.257 45.100 -0.098 0.000 0.763 74 G HN 0.586 nan 8.290 nan 0.000 0.549 75 G N -0.047 108.691 108.800 -0.104 0.000 2.508 75 G HA2 0.149 4.110 3.960 0.002 0.000 0.278 75 G HA3 0.149 4.110 3.960 0.002 0.000 0.278 75 G C 0.811 175.672 174.900 -0.066 0.000 1.389 75 G CA -0.383 44.666 45.100 -0.084 0.000 1.050 75 G HN 0.246 nan 8.290 nan 0.000 0.522 76 N N -0.550 118.123 118.700 -0.046 0.000 2.084 76 N HA -0.152 4.589 4.740 0.002 0.000 0.190 76 N C 2.034 177.522 175.510 -0.037 0.000 1.030 76 N CA 1.241 54.270 53.050 -0.035 0.000 0.849 76 N CB -0.053 38.426 38.487 -0.013 0.000 1.012 76 N HN 0.515 nan 8.380 nan 0.000 0.423 77 N N 0.104 118.781 118.700 -0.038 0.000 2.171 77 N HA -0.067 4.674 4.740 0.002 0.000 0.184 77 N C 2.033 177.515 175.510 -0.047 0.000 1.021 77 N CA 0.733 53.762 53.050 -0.034 0.000 0.854 77 N CB -0.136 38.331 38.487 -0.034 0.000 0.994 77 N HN 0.175 nan 8.380 nan 0.000 0.426 78 G N 0.320 109.075 108.800 -0.074 0.000 2.418 78 G HA2 -0.277 3.684 3.960 0.002 0.000 0.217 78 G HA3 -0.277 3.684 3.960 0.002 0.000 0.217 78 G C 1.576 176.438 174.900 -0.063 0.000 1.158 78 G CA 0.926 45.975 45.100 -0.085 0.000 0.771 78 G HN 0.279 nan 8.290 nan 0.000 0.545 79 S N 0.124 115.787 115.700 -0.062 0.000 2.348 79 S HA -0.140 4.331 4.470 0.002 0.000 0.221 79 S C 2.540 177.115 174.600 -0.042 0.000 1.033 79 S CA 2.341 60.507 58.200 -0.055 0.000 1.010 79 S CB -0.716 62.445 63.200 -0.065 0.000 0.891 79 S HN 0.377 nan 8.310 nan 0.000 0.442 80 T N 3.534 118.065 114.554 -0.038 0.000 2.788 80 T HA -0.012 4.339 4.350 0.002 0.000 0.268 80 T C 1.764 176.462 174.700 -0.004 0.000 1.044 80 T CA 1.093 63.175 62.100 -0.030 0.000 1.139 80 T CB -0.444 68.409 68.868 -0.025 0.000 0.867 80 T HN 0.261 nan 8.240 nan 0.000 0.454 81 L N 1.792 123.018 121.223 0.006 0.000 1.989 81 L HA -0.093 4.248 4.340 0.002 0.000 0.211 81 L C 2.465 179.369 176.870 0.057 0.000 1.071 81 L CA 1.877 56.743 54.840 0.042 0.000 0.749 81 L CB -1.137 40.940 42.059 0.030 0.000 0.890 81 L HN 0.159 nan 8.230 nan 0.000 0.431 82 V N 0.700 120.631 119.914 0.028 0.000 2.332 82 V HA -0.271 3.850 4.120 0.002 0.000 0.248 82 V C 3.007 179.121 176.094 0.033 0.000 1.055 82 V CA 1.596 63.918 62.300 0.037 0.000 1.038 82 V CB -1.293 30.535 31.823 0.009 0.000 0.651 82 V HN 0.598 nan 8.190 nan 0.000 0.450 83 A N 0.875 123.698 122.820 0.005 0.000 1.902 83 A HA -0.219 4.102 4.320 0.002 0.000 0.217 83 A C 2.577 180.148 177.584 -0.022 0.000 1.181 83 A CA 2.360 54.386 52.037 -0.018 0.000 0.623 83 A CB -0.819 18.148 19.000 -0.056 0.000 0.818 83 A HN 0.695 nan 8.150 nan 0.000 0.443 84 S N -0.370 115.328 115.700 -0.003 0.000 2.368 84 S HA -0.128 4.343 4.470 0.002 0.000 0.225 84 S C 1.772 176.391 174.600 0.033 0.000 1.030 84 S CA 1.491 59.689 58.200 -0.002 0.000 0.999 84 S CB -0.964 62.292 63.200 0.093 0.000 0.844 84 S HN 0.247 nan 8.310 nan 0.000 0.459 85 V N 2.220 122.196 119.914 0.103 0.000 2.307 85 V HA -0.097 4.024 4.120 0.002 0.000 0.245 85 V C 2.633 178.748 176.094 0.036 0.000 1.045 85 V CA 1.819 64.183 62.300 0.105 0.000 1.024 85 V CB -0.850 31.040 31.823 0.112 0.000 0.651 85 V HN 0.458 nan 8.190 nan 0.000 0.449 86 L N -0.038 121.218 121.223 0.054 0.000 2.017 86 L HA -0.168 4.173 4.340 0.002 0.000 0.208 86 L C 2.766 179.700 176.870 0.106 0.000 1.073 86 L CA 1.648 56.556 54.840 0.114 0.000 0.745 86 L CB -0.847 41.289 42.059 0.129 0.000 0.894 86 L HN 0.373 nan 8.230 nan 0.000 0.432 87 A N 0.416 123.250 122.820 0.023 0.000 1.883 87 A HA -0.256 4.065 4.320 0.002 0.000 0.217 87 A C 1.995 179.549 177.584 -0.050 0.000 1.186 87 A CA 2.432 54.466 52.037 -0.005 0.000 0.624 87 A CB -0.774 18.189 19.000 -0.062 0.000 0.822 87 A HN 0.477 nan 8.150 nan 0.000 0.444 88 N N -0.765 117.846 118.700 -0.148 0.000 2.171 88 N HA -0.104 4.637 4.740 0.002 0.000 0.184 88 N C 1.787 177.217 175.510 -0.134 0.000 1.021 88 N CA 1.440 54.356 53.050 -0.224 0.000 0.854 88 N CB -0.181 37.997 38.487 -0.515 0.000 0.994 88 N HN 0.592 nan 8.380 nan 0.000 0.426 89 K N 0.331 120.644 120.400 -0.145 0.000 2.063 89 K HA -0.148 4.173 4.320 0.002 0.000 0.208 89 K C 0.635 177.044 176.600 -0.319 0.000 1.048 89 K CA 1.490 57.625 56.287 -0.253 0.000 0.928 89 K CB -0.052 32.217 32.500 -0.385 0.000 0.713 89 K HN 0.441 nan 8.250 nan 0.000 0.442 90 H N 0.156 119.216 119.070 -0.017 0.000 2.529 90 H HA 0.219 4.776 4.556 0.002 0.000 0.277 90 H C -0.568 174.748 175.328 -0.021 0.000 1.004 90 H CA -0.168 55.871 56.048 -0.015 0.000 1.167 90 H CB 0.320 30.074 29.762 -0.013 0.000 1.445 90 H HN 0.231 nan 8.280 nan 0.000 0.554 91 N N 0.814 119.536 118.700 0.036 0.000 2.667 91 N HA -0.152 4.589 4.740 0.002 0.000 0.263 91 N C -0.918 174.614 175.510 0.036 0.000 1.038 91 N CA 0.428 53.484 53.050 0.010 0.000 0.749 91 N CB -1.242 37.244 38.487 -0.001 0.000 0.892 91 N HN 0.137 nan 8.380 nan 0.000 0.546 92 V N 1.223 121.173 119.914 0.060 0.000 2.276 92 V HA 0.024 4.145 4.120 0.002 0.000 0.249 92 V C 1.135 177.312 176.094 0.139 0.000 1.160 92 V CA -0.482 61.867 62.300 0.081 0.000 1.042 92 V CB 0.098 31.969 31.823 0.079 0.000 1.224 92 V HN 0.329 nan 8.190 nan 0.000 0.496 93 E N 4.655 124.892 120.200 0.061 0.000 2.408 93 E HA 0.444 4.795 4.350 0.002 0.000 0.259 93 E C -0.632 176.020 176.600 0.087 0.000 1.110 93 E CA -0.389 56.001 56.400 -0.016 0.000 0.929 93 E CB 0.843 30.478 29.700 -0.109 0.000 0.971 93 E HN 0.499 nan 8.360 nan 0.000 0.438 94 F N -1.921 117.998 119.950 -0.051 0.000 2.643 94 F HA 0.434 4.962 4.527 0.002 0.000 0.314 94 F C -0.803 174.980 175.800 -0.029 0.000 1.096 94 F CA -1.497 56.479 58.000 -0.040 0.000 0.953 94 F CB 1.089 40.062 39.000 -0.045 0.000 1.345 94 F HN 0.191 nan 8.300 nan 0.000 0.468 95 Q N 1.336 121.217 119.800 0.136 0.000 2.230 95 Q HA 0.628 4.969 4.340 0.002 0.000 0.253 95 Q C -0.313 175.774 176.000 0.145 0.000 0.919 95 Q CA -0.227 55.613 55.803 0.062 0.000 0.908 95 Q CB 2.154 30.932 28.738 0.065 0.000 1.245 95 Q HN 1.012 nan 8.270 nan 0.000 0.437 96 T N -2.892 111.704 114.554 0.071 0.000 2.681 96 T HA 0.340 4.691 4.350 0.002 0.000 0.296 96 T C 0.522 175.250 174.700 0.047 0.000 1.157 96 T CA -0.853 61.304 62.100 0.096 0.000 1.025 96 T CB 0.878 69.811 68.868 0.109 0.000 1.441 96 T HN 0.586 nan 8.240 nan 0.000 0.504 97 K N -0.215 120.212 120.400 0.045 0.000 2.486 97 K HA 0.123 4.444 4.320 0.002 0.000 0.194 97 K C 0.588 177.195 176.600 0.012 0.000 1.033 97 K CA 0.871 57.174 56.287 0.026 0.000 1.004 97 K CB -0.076 32.440 32.500 0.025 0.000 0.798 97 K HN 0.472 nan 8.250 nan 0.000 0.495 98 E N 0.853 121.058 120.200 0.008 0.000 2.465 98 E HA 0.188 4.539 4.350 0.002 0.000 0.195 98 E C 0.317 176.900 176.600 -0.028 0.000 1.028 98 E CA 0.384 56.780 56.400 -0.006 0.000 0.899 98 E CB 1.091 30.789 29.700 -0.003 0.000 1.032 98 E HN 0.524 nan 8.360 nan 0.000 0.468 99 G N -0.589 108.192 108.800 -0.031 0.000 2.500 99 G HA2 -0.230 3.731 3.960 0.002 0.000 0.209 99 G HA3 -0.230 3.731 3.960 0.002 0.000 0.209 99 G C -0.621 174.214 174.900 -0.107 0.000 1.283 99 G CA -0.622 44.445 45.100 -0.055 0.000 0.960 99 G HN 0.040 nan 8.290 nan 0.000 0.528 100 V N 1.469 121.304 119.914 -0.132 0.000 2.508 100 V HA 0.428 4.549 4.120 0.002 0.000 0.281 100 V C 0.751 176.651 176.094 -0.324 0.000 1.041 100 V CA 0.487 62.658 62.300 -0.216 0.000 1.016 100 V CB 1.013 32.742 31.823 -0.157 0.000 0.984 100 V HN 0.666 nan 8.190 nan 0.000 0.478 101 K N 3.707 123.736 120.400 -0.618 0.000 2.203 101 K HA 0.523 4.844 4.320 0.002 0.000 0.251 101 K C -0.742 175.433 176.600 -0.708 0.000 0.944 101 K CA -0.905 54.964 56.287 -0.697 0.000 0.829 101 K CB 1.621 33.586 32.500 -0.892 0.000 1.125 101 K HN 0.505 nan 8.250 nan 0.000 0.430 102 Q N 1.832 121.394 119.800 -0.397 0.000 2.230 102 Q HA 0.349 4.690 4.340 0.002 0.000 0.253 102 Q C -2.311 173.577 176.000 -0.188 0.000 0.919 102 Q CA -2.233 53.420 55.803 -0.251 0.000 0.908 102 Q CB 0.784 29.422 28.738 -0.167 0.000 1.245 102 Q HN 0.361 nan 8.270 nan 0.000 0.437 103 P HA 0.109 nan 4.420 nan 0.000 0.270 103 P C -0.358 176.796 177.300 -0.244 0.000 1.223 103 P CA -0.004 63.062 63.100 -0.057 0.000 0.785 103 P CB 0.654 32.312 31.700 -0.070 0.000 0.923 104 N N -0.626 117.856 118.700 -0.363 0.000 3.339 104 N HA 0.132 4.873 4.740 0.002 0.000 0.275 104 N C -1.416 173.842 175.510 -0.420 0.000 1.514 104 N CA -0.571 52.233 53.050 -0.410 0.000 0.879 104 N CB 0.475 38.617 38.487 -0.574 0.000 1.557 104 N HN 0.133 nan 8.380 nan 0.000 0.524 105 Y N 0.230 120.552 120.300 0.036 0.000 2.699 105 Y HA 0.451 5.002 4.550 0.002 0.000 0.282 105 Y C -0.241 175.803 175.900 0.238 0.000 1.058 105 Y CA -0.857 57.291 58.100 0.080 0.000 1.194 105 Y CB -0.150 38.327 38.460 0.030 0.000 1.193 105 Y HN 0.341 nan 8.280 nan 0.000 0.562 106 F N 0.370 120.384 119.950 0.106 0.000 2.628 106 F HA 0.198 4.726 4.527 0.001 0.000 0.362 106 F C 1.621 177.471 175.800 0.084 0.000 1.148 106 F CA 1.081 59.127 58.000 0.078 0.000 1.352 106 F CB 0.568 39.598 39.000 0.051 0.000 1.081 106 F HN 0.472 nan 8.300 nan 0.000 0.605 107 G N 1.263 110.197 108.800 0.224 0.000 2.217 107 G HA2 -0.293 3.668 3.960 0.002 0.000 0.246 107 G HA3 -0.293 3.668 3.960 0.002 0.000 0.246 107 G C 0.162 175.143 174.900 0.135 0.000 0.990 107 G CA 0.109 45.303 45.100 0.157 0.000 0.627 107 G HN 0.787 nan 8.290 nan 0.000 0.522 108 S N 0.862 116.637 115.700 0.125 0.000 2.411 108 S HA 0.597 5.068 4.470 0.002 0.000 0.294 108 S C 1.611 176.208 174.600 -0.004 0.000 1.115 108 S CA 0.307 58.538 58.200 0.051 0.000 1.071 108 S CB 0.611 63.815 63.200 0.006 0.000 0.967 108 S HN 0.315 nan 8.310 nan 0.000 0.488 109 M N 4.172 123.770 119.600 -0.003 0.000 2.117 109 M HA -0.091 4.390 4.480 0.002 0.000 0.262 109 M C 2.046 178.117 176.300 -0.382 0.000 1.065 109 M CA 1.961 57.178 55.300 -0.139 0.000 1.114 109 M CB -1.051 31.488 32.600 -0.102 0.000 1.361 109 M HN 0.794 nan 8.290 nan 0.000 0.408 110 T N -0.086 114.221 114.554 -0.411 0.000 2.867 110 T HA -0.110 4.241 4.350 0.002 0.000 0.268 110 T C 1.622 176.220 174.700 -0.170 0.000 1.057 110 T CA 1.161 62.982 62.100 -0.464 0.000 1.136 110 T CB 0.133 68.798 68.868 -0.339 0.000 0.874 110 T HN 0.438 nan 8.240 nan 0.000 0.466 111 Q N -0.687 119.040 119.800 -0.121 0.000 2.373 111 Q HA 0.231 4.572 4.340 0.002 0.000 0.210 111 Q C 1.820 177.845 176.000 0.042 0.000 0.913 111 Q CA 0.556 56.342 55.803 -0.030 0.000 0.911 111 Q CB 0.088 28.805 28.738 -0.035 0.000 1.040 111 Q HN 0.543 nan 8.270 nan 0.000 0.521 112 C N 1.039 120.353 119.300 0.024 0.000 3.255 112 C HA 0.351 4.812 4.460 0.002 0.000 0.282 112 C C 1.047 176.021 174.990 -0.027 0.000 1.441 112 C CA -0.596 58.431 59.018 0.016 0.000 1.785 112 C CB -0.388 27.364 27.740 0.020 0.000 2.583 112 C HN 0.315 nan 8.230 nan 0.000 0.615 113 S N 0.745 116.440 115.700 -0.009 0.000 2.664 113 S HA 0.822 5.293 4.470 0.002 0.000 0.304 113 S C -0.282 174.373 174.600 0.091 0.000 1.099 113 S CA -0.118 58.089 58.200 0.010 0.000 1.003 113 S CB 1.607 64.802 63.200 -0.008 0.000 1.092 113 S HN 0.453 nan 8.310 nan 0.000 0.525 114 T N -0.583 114.027 114.554 0.094 0.000 2.930 114 T HA 0.754 5.105 4.350 0.002 0.000 0.290 114 T C -0.685 174.150 174.700 0.226 0.000 1.052 114 T CA -0.961 61.229 62.100 0.150 0.000 1.017 114 T CB 0.802 69.737 68.868 0.112 0.000 1.137 114 T HN 0.652 nan 8.240 nan 0.000 0.511 115 L N 0.753 122.100 121.223 0.208 0.000 2.401 115 L HA 0.553 4.894 4.340 0.002 0.000 0.266 115 L C -0.144 176.725 176.870 -0.001 0.000 0.991 115 L CA -1.198 53.708 54.840 0.110 0.000 0.818 115 L CB 2.453 44.466 42.059 -0.077 0.000 1.321 115 L HN 0.742 nan 8.230 nan 0.000 0.413 116 K N 2.604 122.850 120.400 -0.256 0.000 2.349 116 K HA 0.271 4.592 4.320 0.002 0.000 0.288 116 K C 0.403 176.804 176.600 -0.333 0.000 1.058 116 K CA -0.257 55.627 56.287 -0.673 0.000 0.953 116 K CB 0.801 32.819 32.500 -0.804 0.000 0.997 116 K HN 0.667 nan 8.250 nan 0.000 0.477 117 L N 3.148 124.210 121.223 -0.269 0.000 2.307 117 L HA 0.185 4.526 4.340 0.002 0.000 0.211 117 L C 1.175 177.957 176.870 -0.148 0.000 1.099 117 L CA 0.672 55.412 54.840 -0.166 0.000 0.816 117 L CB 0.117 42.108 42.059 -0.113 0.000 0.952 117 L HN 1.041 nan 8.230 nan 0.000 0.455 118 G N 0.075 108.769 108.800 -0.178 0.000 2.455 118 G HA2 0.183 4.145 3.960 0.002 0.000 0.223 118 G HA3 0.183 4.145 3.960 0.002 0.000 0.223 118 G C -1.583 173.245 174.900 -0.121 0.000 1.226 118 G CA -0.299 44.723 45.100 -0.130 0.000 0.948 118 G HN 0.010 nan 8.290 nan 0.000 0.478 119 I N -0.739 119.787 120.570 -0.072 0.000 2.846 119 I HA 0.792 4.963 4.170 0.002 0.000 0.307 119 I C -0.486 175.615 176.117 -0.027 0.000 1.053 119 I CA -1.081 60.190 61.300 -0.047 0.000 1.050 119 I CB 2.179 40.160 38.000 -0.031 0.000 1.239 119 I HN 0.645 nan 8.210 nan 0.000 0.439 120 D N 3.228 123.620 120.400 -0.013 0.000 2.511 120 D HA 0.404 5.045 4.640 0.002 0.000 0.276 120 D C 1.159 177.458 176.300 -0.001 0.000 1.220 120 D CA -0.341 53.656 54.000 -0.005 0.000 1.077 120 D CB 0.710 41.512 40.800 0.003 0.000 1.126 120 D HN 0.671 nan 8.370 nan 0.000 0.583 121 A N -0.591 122.230 122.820 0.002 0.000 2.131 121 A HA -0.158 4.163 4.320 0.002 0.000 0.220 121 A C 1.286 178.873 177.584 0.006 0.000 1.158 121 A CA 1.323 53.362 52.037 0.003 0.000 0.665 121 A CB -0.647 18.355 19.000 0.004 0.000 0.795 121 A HN 0.581 nan 8.150 nan 0.000 0.460 122 E N -1.715 118.489 120.200 0.007 0.000 2.538 122 E HA 0.318 4.669 4.350 0.002 0.000 0.207 122 E C 1.002 177.609 176.600 0.011 0.000 1.002 122 E CA 0.562 56.967 56.400 0.009 0.000 0.952 122 E CB -0.627 29.079 29.700 0.010 0.000 1.031 122 E HN 0.928 nan 8.360 nan 0.000 0.476 123 G N 1.597 110.403 108.800 0.009 0.000 2.176 123 G HA2 -0.238 3.723 3.960 0.002 0.000 0.253 123 G HA3 -0.238 3.723 3.960 0.002 0.000 0.253 123 G C -0.108 174.798 174.900 0.010 0.000 0.979 123 G CA -0.045 45.061 45.100 0.010 0.000 0.641 123 G HN 0.253 nan 8.290 nan 0.000 0.530 124 N N 1.722 120.429 118.700 0.013 0.000 2.499 124 N HA 0.393 5.134 4.740 0.002 0.000 0.281 124 N C -0.328 175.193 175.510 0.018 0.000 1.098 124 N CA -0.449 52.615 53.050 0.023 0.000 0.979 124 N CB 0.857 39.362 38.487 0.031 0.000 1.121 124 N HN 0.154 nan 8.380 nan 0.000 0.466 125 D N 0.459 120.877 120.400 0.030 0.000 2.478 125 D HA 0.046 4.687 4.640 0.002 0.000 0.234 125 D C -0.164 176.144 176.300 0.013 0.000 1.154 125 D CA 0.445 54.438 54.000 -0.012 0.000 0.874 125 D CB 0.787 41.619 40.800 0.053 0.000 1.198 125 D HN 0.042 nan 8.370 nan 0.000 0.455 126 V N 2.878 122.721 119.914 -0.118 0.000 2.483 126 V HA 0.277 4.398 4.120 0.002 0.000 0.297 126 V C -0.785 175.214 176.094 -0.159 0.000 1.027 126 V CA -0.770 61.508 62.300 -0.038 0.000 0.855 126 V CB 0.824 32.624 31.823 -0.038 0.000 0.995 126 V HN 0.359 nan 8.190 nan 0.000 0.424 127 Y N 2.287 122.576 120.300 -0.019 0.000 2.528 127 Y HA 0.874 5.426 4.550 0.002 0.000 0.335 127 Y C 0.431 176.318 175.900 -0.022 0.000 1.093 127 Y CA -0.627 57.459 58.100 -0.023 0.000 1.134 127 Y CB 2.120 40.570 38.460 -0.017 0.000 1.253 127 Y HN 0.747 nan 8.280 nan 0.000 0.478 128 A N 1.673 124.574 122.820 0.136 0.000 2.556 128 A HA 0.772 5.093 4.320 0.002 0.000 0.294 128 A C -3.092 174.533 177.584 0.068 0.000 1.091 128 A CA -2.222 49.854 52.037 0.066 0.000 0.704 128 A CB 1.359 20.364 19.000 0.007 0.000 1.300 128 A HN 0.452 nan 8.150 nan 0.000 0.406 129 P HA 0.091 nan 4.420 nan 0.000 0.266 129 P C 0.497 177.847 177.300 0.082 0.000 1.195 129 P CA 0.128 63.273 63.100 0.075 0.000 0.768 129 P CB 0.178 31.913 31.700 0.057 0.000 0.838 130 F N 3.890 123.815 119.950 -0.041 0.000 2.154 130 F HA -0.268 4.259 4.527 0.001 0.000 0.301 130 F C 1.575 177.307 175.800 -0.114 0.000 1.087 130 F CA 1.802 59.755 58.000 -0.079 0.000 1.274 130 F CB -0.000 38.953 39.000 -0.078 0.000 1.009 130 F HN 0.322 nan 8.300 nan 0.000 0.485 131 N N -0.290 118.528 118.700 0.195 0.000 2.276 131 N HA -0.016 4.725 4.740 0.002 0.000 0.212 131 N C 0.844 176.356 175.510 0.004 0.000 1.127 131 N CA 0.742 53.840 53.050 0.081 0.000 0.834 131 N CB -0.658 37.884 38.487 0.091 0.000 1.014 131 N HN 0.326 nan 8.380 nan 0.000 0.491 132 S N -0.890 114.799 115.700 -0.017 0.000 2.517 132 S HA 0.150 4.621 4.470 0.002 0.000 0.214 132 S C 1.510 176.084 174.600 -0.043 0.000 0.991 132 S CA -0.288 57.902 58.200 -0.017 0.000 0.906 132 S CB -0.115 63.083 63.200 -0.003 0.000 0.789 132 S HN 0.043 nan 8.310 nan 0.000 0.513 133 L N 1.201 122.364 121.223 -0.100 0.000 1.973 133 L HA 0.344 4.685 4.340 0.002 0.000 0.208 133 L C 0.793 177.625 176.870 -0.063 0.000 1.073 133 L CA 1.519 56.290 54.840 -0.114 0.000 0.746 133 L CB -0.669 41.262 42.059 -0.214 0.000 0.891 133 L HN 0.342 nan 8.230 nan 0.000 0.433 134 L N -0.418 120.762 121.223 -0.072 0.000 2.354 134 L HA 0.410 4.751 4.340 0.002 0.000 0.264 134 L C -2.279 174.661 176.870 0.116 0.000 1.008 134 L CA -2.029 52.845 54.840 0.057 0.000 0.819 134 L CB 1.615 43.764 42.059 0.151 0.000 1.339 134 L HN -0.083 nan 8.230 nan 0.000 0.420 135 P HA 0.047 nan 4.420 nan 0.000 0.258 135 P C -1.152 176.304 177.300 0.261 0.000 1.187 135 P CA 0.532 63.733 63.100 0.170 0.000 0.767 135 P CB 0.484 32.267 31.700 0.138 0.000 0.770 136 M N 2.394 122.100 119.600 0.175 0.000 2.591 136 M HA 0.319 4.800 4.480 0.002 0.000 0.306 136 M C -0.266 176.112 176.300 0.129 0.000 1.190 136 M CA -1.348 54.070 55.300 0.198 0.000 0.889 136 M CB 2.658 35.320 32.600 0.103 0.000 1.728 136 M HN -0.044 nan 8.290 nan 0.000 0.458 137 V N 1.408 121.410 119.914 0.148 0.000 2.555 137 V HA 0.134 4.256 4.120 0.002 0.000 0.286 137 V C 0.375 176.492 176.094 0.039 0.000 1.044 137 V CA -0.143 62.230 62.300 0.123 0.000 1.026 137 V CB 1.315 33.262 31.823 0.206 0.000 0.981 137 V HN 0.911 nan 8.190 nan 0.000 0.480 138 S N 6.990 122.668 115.700 -0.036 0.000 2.565 138 S HA 0.292 4.763 4.470 0.002 0.000 0.274 138 S C -0.974 173.350 174.600 -0.460 0.000 1.309 138 S CA -1.225 56.868 58.200 -0.179 0.000 1.043 138 S CB 1.181 64.317 63.200 -0.107 0.000 0.939 138 S HN 0.674 nan 8.310 nan 0.000 0.504 139 P HA -0.060 nan 4.420 nan 0.000 0.225 139 P C 0.448 177.229 177.300 -0.865 0.000 1.148 139 P CA 0.769 62.896 63.100 -1.622 0.000 0.779 139 P CB -0.055 30.790 31.700 -1.425 0.000 0.780 140 N N 0.193 118.684 118.700 -0.348 0.000 2.550 140 N HA -0.069 4.672 4.740 0.002 0.000 0.186 140 N C 0.756 176.210 175.510 -0.093 0.000 1.110 140 N CA 0.875 53.849 53.050 -0.126 0.000 0.912 140 N CB -0.352 38.105 38.487 -0.049 0.000 0.968 140 N HN 0.243 nan 8.380 nan 0.000 0.448 141 D N -0.571 119.775 120.400 -0.090 0.000 2.402 141 D HA 0.098 4.739 4.640 0.002 0.000 0.216 141 D C -0.086 176.357 176.300 0.238 0.000 1.128 141 D CA -0.150 53.883 54.000 0.056 0.000 0.833 141 D CB 0.215 41.051 40.800 0.059 0.000 0.971 141 D HN 0.187 nan 8.370 nan 0.000 0.503 142 F N 1.125 121.078 119.950 0.004 0.000 2.443 142 F HA 0.165 4.693 4.527 0.002 0.000 0.353 142 F C 0.748 176.571 175.800 0.038 0.000 1.101 142 F CA -0.500 57.510 58.000 0.017 0.000 1.226 142 F CB 1.368 40.369 39.000 0.002 0.000 1.140 142 F HN -0.362 nan 8.300 nan 0.000 0.557 143 V N 5.494 125.548 119.914 0.234 0.000 2.293 143 V HA 0.206 4.327 4.120 0.002 0.000 0.275 143 V C -0.126 176.121 176.094 0.256 0.000 1.021 143 V CA -0.560 61.859 62.300 0.198 0.000 0.815 143 V CB 1.165 33.063 31.823 0.125 0.000 1.025 143 V HN 0.429 nan 8.190 nan 0.000 0.448 144 V N 3.993 124.004 119.914 0.163 0.000 2.539 144 V HA 0.812 4.933 4.120 0.002 0.000 0.292 144 V C 0.306 176.344 176.094 -0.093 0.000 1.045 144 V CA 0.099 62.413 62.300 0.024 0.000 0.945 144 V CB 1.662 33.494 31.823 0.014 0.000 0.993 144 V HN 0.873 nan 8.190 nan 0.000 0.464 145 S N 1.394 116.869 115.700 -0.375 0.000 3.003 145 S HA 0.932 5.404 4.470 0.002 0.000 0.313 145 S C -0.330 173.881 174.600 -0.648 0.000 1.230 145 S CA 0.416 58.300 58.200 -0.527 0.000 0.977 145 S CB 1.318 64.031 63.200 -0.812 0.000 1.340 145 S HN 1.954 nan 8.310 nan 0.000 0.608 146 G N -0.335 107.959 108.800 -0.843 0.000 2.340 146 G HA2 0.207 4.168 3.960 0.002 0.000 0.282 146 G HA3 0.207 4.168 3.960 0.002 0.000 0.282 146 G C -2.056 172.348 174.900 -0.826 0.000 1.312 146 G CA -0.400 44.134 45.100 -0.943 0.000 0.942 146 G HN 0.610 nan 8.290 nan 0.000 0.495 147 W N -0.125 121.060 121.300 -0.191 0.000 2.820 147 W HA 0.750 5.411 4.660 0.002 0.000 0.350 147 W C -0.892 175.504 176.519 -0.204 0.000 1.116 147 W CA -0.261 57.000 57.345 -0.139 0.000 1.146 147 W CB 2.325 31.761 29.460 -0.040 0.000 1.433 147 W HN 0.638 nan 8.180 nan 0.000 0.561 148 D N 0.695 121.149 120.400 0.089 0.000 2.787 148 D HA 0.107 4.748 4.640 0.002 0.000 0.215 148 D C 0.404 176.690 176.300 -0.024 0.000 1.246 148 D CA -0.403 53.573 54.000 -0.040 0.000 0.798 148 D CB 1.796 42.546 40.800 -0.083 0.000 1.649 148 D HN 0.395 nan 8.370 nan 0.000 0.507 149 I N 0.228 120.752 120.570 -0.077 0.000 3.241 149 I HA 0.125 4.296 4.170 0.002 0.000 0.280 149 I C 0.217 176.278 176.117 -0.092 0.000 1.320 149 I CA 0.266 61.512 61.300 -0.090 0.000 1.413 149 I CB -0.300 37.571 38.000 -0.215 0.000 1.060 149 I HN 0.038 nan 8.210 nan 0.000 0.500 150 N N 1.687 120.341 118.700 -0.077 0.000 2.284 150 N HA 0.216 4.957 4.740 0.002 0.000 0.300 150 N C 0.322 175.808 175.510 -0.040 0.000 1.047 150 N CA -0.766 52.248 53.050 -0.061 0.000 0.821 150 N CB 1.157 39.602 38.487 -0.070 0.000 1.337 150 N HN 0.172 nan 8.380 nan 0.000 0.482 151 N N 2.075 120.760 118.700 -0.025 0.000 2.398 151 N HA 0.141 4.882 4.740 0.002 0.000 0.188 151 N C -0.139 175.361 175.510 -0.017 0.000 1.122 151 N CA -0.361 52.679 53.050 -0.016 0.000 0.866 151 N CB 0.313 38.798 38.487 -0.003 0.000 0.970 151 N HN 0.469 nan 8.380 nan 0.000 0.462 152 A N 1.089 123.896 122.820 -0.023 0.000 2.540 152 A HA 0.155 4.476 4.320 0.002 0.000 0.239 152 A C 0.235 177.808 177.584 -0.018 0.000 1.061 152 A CA -0.227 51.798 52.037 -0.019 0.000 0.758 152 A CB -0.262 18.720 19.000 -0.032 0.000 0.991 152 A HN 0.628 nan 8.150 nan 0.000 0.502 153 D N 1.279 121.680 120.400 0.002 0.000 2.384 153 D HA 0.145 4.786 4.640 0.002 0.000 0.244 153 D C 0.812 177.115 176.300 0.006 0.000 1.251 153 D CA -0.513 53.492 54.000 0.009 0.000 0.961 153 D CB 0.271 41.091 40.800 0.033 0.000 1.116 153 D HN 0.304 nan 8.370 nan 0.000 0.484 154 L N -0.763 120.466 121.223 0.010 0.000 2.465 154 L HA -0.095 4.247 4.340 0.002 0.000 0.224 154 L C 1.670 178.552 176.870 0.020 0.000 1.145 154 L CA 0.620 55.459 54.840 -0.002 0.000 0.834 154 L CB -0.582 41.471 42.059 -0.010 0.000 0.944 154 L HN 0.517 nan 8.230 nan 0.000 0.451 155 Y N 1.244 121.516 120.300 -0.046 0.000 2.243 155 Y HA -0.154 4.397 4.550 0.002 0.000 0.293 155 Y C 2.372 178.246 175.900 -0.042 0.000 1.124 155 Y CA 1.312 59.382 58.100 -0.050 0.000 1.159 155 Y CB -0.015 38.415 38.460 -0.049 0.000 1.008 155 Y HN 0.147 nan 8.280 nan 0.000 0.527 156 E N 0.299 120.426 120.200 -0.122 0.000 2.077 156 E HA -0.201 4.150 4.350 0.002 0.000 0.193 156 E C 2.363 178.855 176.600 -0.180 0.000 0.989 156 E CA 1.029 57.324 56.400 -0.175 0.000 0.800 156 E CB -0.327 29.350 29.700 -0.039 0.000 0.746 156 E HN 0.566 nan 8.360 nan 0.000 0.452 157 A N 1.296 124.042 122.820 -0.122 0.000 1.883 157 A HA -0.236 4.085 4.320 0.002 0.000 0.217 157 A C 2.189 179.692 177.584 -0.135 0.000 1.186 157 A CA 1.540 53.514 52.037 -0.106 0.000 0.624 157 A CB -0.510 18.443 19.000 -0.079 0.000 0.822 157 A HN 0.159 nan 8.150 nan 0.000 0.444 158 M N -1.009 118.486 119.600 -0.174 0.000 2.080 158 M HA -0.261 4.220 4.480 0.002 0.000 0.260 158 M C 2.555 178.727 176.300 -0.212 0.000 1.068 158 M CA 1.944 57.134 55.300 -0.184 0.000 1.109 158 M CB -0.449 32.031 32.600 -0.200 0.000 1.342 158 M HN 0.536 nan 8.290 nan 0.000 0.405 159 Q N -0.583 119.019 119.800 -0.330 0.000 2.045 159 Q HA -0.262 4.079 4.340 0.002 0.000 0.206 159 Q C 2.078 177.994 176.000 -0.140 0.000 0.991 159 Q CA 1.871 57.519 55.803 -0.260 0.000 0.851 159 Q CB -0.415 28.125 28.738 -0.330 0.000 0.911 159 Q HN 0.483 nan 8.270 nan 0.000 0.418 160 R N 0.240 120.662 120.500 -0.130 0.000 2.096 160 R HA -0.109 4.232 4.340 0.002 0.000 0.235 160 R C 2.095 178.356 176.300 -0.065 0.000 1.127 160 R CA 1.652 57.702 56.100 -0.083 0.000 0.968 160 R CB -0.024 30.230 30.300 -0.076 0.000 0.861 160 R HN 0.069 nan 8.270 nan 0.000 0.440 161 S N 0.736 116.392 115.700 -0.073 0.000 2.406 161 S HA -0.077 4.394 4.470 0.002 0.000 0.228 161 S C 0.061 174.636 174.600 -0.043 0.000 1.020 161 S CA 0.875 59.044 58.200 -0.052 0.000 0.965 161 S CB 0.038 63.203 63.200 -0.057 0.000 0.798 161 S HN 0.447 nan 8.310 nan 0.000 0.488 162 Q N -0.414 119.354 119.800 -0.052 0.000 2.451 162 Q HA -0.159 4.182 4.340 0.002 0.000 0.305 162 Q C 0.379 176.362 176.000 -0.028 0.000 1.345 162 Q CA 0.310 56.092 55.803 -0.034 0.000 0.854 162 Q CB -2.120 26.604 28.738 -0.023 0.000 1.162 162 Q HN 0.381 nan 8.270 nan 0.000 0.440 163 V N -0.974 118.915 119.914 -0.041 0.000 2.690 163 V HA 0.084 4.205 4.120 0.002 0.000 0.240 163 V C 1.106 177.170 176.094 -0.050 0.000 1.078 163 V CA 0.860 63.138 62.300 -0.036 0.000 1.102 163 V CB 0.221 32.022 31.823 -0.038 0.000 0.800 163 V HN 0.338 nan 8.190 nan 0.000 0.479 164 L N 0.492 121.667 121.223 -0.079 0.000 2.399 164 L HA 0.336 4.677 4.340 0.002 0.000 0.266 164 L C 0.449 177.260 176.870 -0.099 0.000 1.114 164 L CA -0.528 54.236 54.840 -0.126 0.000 0.804 164 L CB 0.407 42.358 42.059 -0.180 0.000 1.146 164 L HN 0.180 nan 8.230 nan 0.000 0.451 165 E N 0.749 120.868 120.200 -0.135 0.000 2.529 165 E HA -0.166 4.185 4.350 0.002 0.000 0.259 165 E C 0.397 176.992 176.600 -0.009 0.000 0.966 165 E CA 0.463 56.841 56.400 -0.037 0.000 0.937 165 E CB 0.482 30.168 29.700 -0.023 0.000 0.923 165 E HN 0.448 nan 8.360 nan 0.000 0.468 166 Y N 4.038 124.323 120.300 -0.024 0.000 2.102 166 Y HA -0.344 4.207 4.550 0.001 0.000 0.280 166 Y C 1.900 177.809 175.900 0.014 0.000 1.178 166 Y CA 2.660 60.756 58.100 -0.006 0.000 1.146 166 Y CB -0.049 38.415 38.460 0.007 0.000 0.968 166 Y HN 0.642 nan 8.280 nan 0.000 0.504 167 D N -0.397 120.027 120.400 0.040 0.000 2.123 167 D HA -0.207 4.434 4.640 0.002 0.000 0.196 167 D C 2.096 178.350 176.300 -0.076 0.000 0.992 167 D CA 1.345 55.338 54.000 -0.012 0.000 0.833 167 D CB -0.386 40.495 40.800 0.134 0.000 0.954 167 D HN 0.375 nan 8.370 nan 0.000 0.455 168 L N 0.569 121.729 121.223 -0.105 0.000 2.017 168 L HA -0.151 4.190 4.340 0.002 0.000 0.208 168 L C 2.166 178.935 176.870 -0.169 0.000 1.073 168 L CA 1.726 56.443 54.840 -0.205 0.000 0.745 168 L CB -0.767 40.949 42.059 -0.572 0.000 0.894 168 L HN 0.130 nan 8.230 nan 0.000 0.432 169 Q N -1.060 118.632 119.800 -0.180 0.000 2.096 169 Q HA -0.257 4.084 4.340 0.002 0.000 0.204 169 Q C 2.122 178.104 176.000 -0.029 0.000 0.982 169 Q CA 1.682 57.427 55.803 -0.096 0.000 0.850 169 Q CB -0.331 28.326 28.738 -0.135 0.000 0.901 169 Q HN 0.584 nan 8.270 nan 0.000 0.422 170 Q N 0.521 120.208 119.800 -0.188 0.000 2.124 170 Q HA -0.104 4.237 4.340 0.002 0.000 0.202 170 Q C 1.926 177.851 176.000 -0.124 0.000 0.977 170 Q CA 1.312 57.005 55.803 -0.184 0.000 0.850 170 Q CB -0.212 28.342 28.738 -0.307 0.000 0.901 170 Q HN 0.415 nan 8.270 nan 0.000 0.429 171 R N -0.011 120.434 120.500 -0.092 0.000 2.189 171 R HA 0.072 4.414 4.340 0.002 0.000 0.218 171 R C 2.035 178.296 176.300 -0.066 0.000 1.074 171 R CA 0.516 56.578 56.100 -0.063 0.000 0.991 171 R CB -0.011 30.278 30.300 -0.019 0.000 0.883 171 R HN 0.210 nan 8.270 nan 0.000 0.457 172 L N 0.388 121.578 121.223 -0.056 0.000 2.567 172 L HA 0.082 4.423 4.340 0.002 0.000 0.225 172 L C 2.270 179.117 176.870 -0.038 0.000 1.119 172 L CA 0.147 54.966 54.840 -0.036 0.000 0.871 172 L CB -0.159 41.890 42.059 -0.017 0.000 1.036 172 L HN 0.080 nan 8.230 nan 0.000 0.459 173 K N 1.472 121.813 120.400 -0.099 0.000 2.015 173 K HA -0.296 4.025 4.320 0.002 0.000 0.220 173 K C 2.156 178.576 176.600 -0.300 0.000 1.055 173 K CA 2.141 58.224 56.287 -0.340 0.000 0.951 173 K CB -0.170 31.960 32.500 -0.617 0.000 0.725 173 K HN 0.270 nan 8.250 nan 0.000 0.449 174 A N 1.204 123.889 122.820 -0.226 0.000 1.873 174 A HA -0.256 4.065 4.320 0.002 0.000 0.218 174 A C 2.024 179.543 177.584 -0.108 0.000 1.193 174 A CA 2.268 54.206 52.037 -0.165 0.000 0.629 174 A CB -0.574 18.347 19.000 -0.132 0.000 0.826 174 A HN 0.425 nan 8.150 nan 0.000 0.447 175 K N -1.010 119.340 120.400 -0.085 0.000 2.002 175 K HA -0.066 4.255 4.320 0.002 0.000 0.209 175 K C 2.112 178.701 176.600 -0.018 0.000 1.048 175 K CA 1.558 57.815 56.287 -0.049 0.000 0.930 175 K CB -0.307 32.166 32.500 -0.045 0.000 0.714 175 K HN 0.427 nan 8.250 nan 0.000 0.438 176 M N 0.800 120.401 119.600 0.001 0.000 2.279 176 M HA -0.095 4.386 4.480 0.002 0.000 0.264 176 M C 2.068 178.401 176.300 0.055 0.000 1.062 176 M CA 1.221 56.546 55.300 0.041 0.000 1.099 176 M CB -0.650 32.006 32.600 0.092 0.000 1.394 176 M HN 0.030 nan 8.290 nan 0.000 0.426 177 S N 1.066 116.780 115.700 0.023 0.000 2.402 177 S HA 0.010 4.481 4.470 0.002 0.000 0.229 177 S C 1.885 176.489 174.600 0.006 0.000 1.021 177 S CA 0.864 59.077 58.200 0.022 0.000 0.974 177 S CB -0.208 62.951 63.200 -0.069 0.000 0.800 177 S HN 0.462 nan 8.310 nan 0.000 0.484 178 L N 1.192 122.410 121.223 -0.009 0.000 2.478 178 L HA 0.103 4.444 4.340 0.002 0.000 0.223 178 L C 0.069 176.936 176.870 -0.005 0.000 1.140 178 L CA 0.144 54.978 54.840 -0.009 0.000 0.842 178 L CB -0.294 41.756 42.059 -0.014 0.000 0.953 178 L HN 0.063 nan 8.230 nan 0.000 0.452 179 V N 1.666 121.579 119.914 -0.002 0.000 2.389 179 V HA 0.144 4.265 4.120 0.002 0.000 0.264 179 V C 0.019 176.098 176.094 -0.024 0.000 1.049 179 V CA -0.246 62.046 62.300 -0.013 0.000 0.932 179 V CB 0.622 32.438 31.823 -0.013 0.000 1.011 179 V HN 0.223 nan 8.190 nan 0.000 0.475 180 K N 5.869 126.248 120.400 -0.036 0.000 2.345 180 K HA 0.569 4.890 4.320 0.002 0.000 0.255 180 K C -2.767 173.789 176.600 -0.072 0.000 0.934 180 K CA -1.782 54.481 56.287 -0.041 0.000 0.801 180 K CB 1.993 34.479 32.500 -0.023 0.000 1.137 180 K HN 0.339 nan 8.250 nan 0.000 0.424 181 P HA 0.083 nan 4.420 nan 0.000 0.271 181 P C -0.646 176.608 177.300 -0.075 0.000 1.216 181 P CA -0.262 62.775 63.100 -0.105 0.000 0.776 181 P CB 0.514 32.167 31.700 -0.078 0.000 0.881 182 L N 4.665 125.816 121.223 -0.119 0.000 2.436 182 L HA 0.314 4.655 4.340 0.002 0.000 0.265 182 L C -1.800 175.152 176.870 0.137 0.000 1.168 182 L CA -2.055 52.772 54.840 -0.022 0.000 0.815 182 L CB 0.094 42.077 42.059 -0.127 0.000 1.109 182 L HN 0.254 nan 8.230 nan 0.000 0.462 183 P HA 0.028 nan 4.420 nan 0.000 0.268 183 P C -0.660 176.785 177.300 0.241 0.000 1.205 183 P CA -0.025 63.163 63.100 0.147 0.000 0.771 183 P CB 1.606 33.366 31.700 0.100 0.000 0.858 184 S N 2.141 117.946 115.700 0.175 0.000 2.801 184 S HA 0.590 5.061 4.470 0.002 0.000 0.312 184 S C -0.310 174.321 174.600 0.053 0.000 1.112 184 S CA -0.975 57.331 58.200 0.176 0.000 0.943 184 S CB 0.571 63.890 63.200 0.199 0.000 1.269 184 S HN 0.286 nan 8.310 nan 0.000 0.558 185 I N 2.277 122.863 120.570 0.028 0.000 2.315 185 I HA 0.309 4.480 4.170 0.002 0.000 0.291 185 I C -1.081 175.029 176.117 -0.012 0.000 1.006 185 I CA -0.399 60.822 61.300 -0.132 0.000 1.265 185 I CB 0.988 38.767 38.000 -0.369 0.000 1.387 185 I HN 0.600 nan 8.210 nan 0.000 0.475 186 Y N 7.418 127.665 120.300 -0.089 0.000 2.388 186 Y HA 0.403 4.954 4.550 0.002 0.000 0.328 186 Y C -1.184 174.876 175.900 0.268 0.000 0.963 186 Y CA -0.840 57.287 58.100 0.045 0.000 1.240 186 Y CB 0.831 39.336 38.460 0.074 0.000 1.118 186 Y HN 0.455 nan 8.280 nan 0.000 0.484 187 Y N 8.519 128.924 120.300 0.175 0.000 2.721 187 Y HA 0.206 4.758 4.550 0.002 0.000 0.328 187 Y C -1.781 174.103 175.900 -0.026 0.000 1.003 187 Y CA -2.525 55.623 58.100 0.080 0.000 1.275 187 Y CB 1.023 39.752 38.460 0.449 0.000 1.097 187 Y HN 0.670 nan 8.280 nan 0.000 0.514 188 P HA -0.325 nan 4.420 nan 0.000 0.226 188 P C 1.048 178.343 177.300 -0.009 0.000 1.154 188 P CA 1.981 64.908 63.100 -0.287 0.000 0.918 188 P CB 0.309 31.810 31.700 -0.332 0.000 0.790 189 D N -2.628 117.715 120.400 -0.094 0.000 2.348 189 D HA -0.093 4.548 4.640 0.002 0.000 0.216 189 D C 1.197 177.370 176.300 -0.212 0.000 0.970 189 D CA 0.522 54.403 54.000 -0.199 0.000 0.889 189 D CB -0.542 40.039 40.800 -0.366 0.000 0.912 189 D HN 0.156 nan 8.370 nan 0.000 0.524 190 F N 0.291 120.316 119.950 0.125 0.000 2.710 190 F HA 0.201 4.729 4.527 0.002 0.000 0.298 190 F C 1.117 176.998 175.800 0.136 0.000 1.137 190 F CA 0.084 58.163 58.000 0.132 0.000 1.444 190 F CB 0.029 39.125 39.000 0.159 0.000 1.111 190 F HN -0.005 nan 8.300 nan 0.000 0.580 191 I N -3.454 117.287 120.570 0.286 0.000 3.322 191 I HA 0.784 4.955 4.170 0.002 0.000 0.313 191 I C -0.115 176.080 176.117 0.130 0.000 1.129 191 I CA -1.948 59.481 61.300 0.216 0.000 0.963 191 I CB 0.943 39.087 38.000 0.239 0.000 1.273 191 I HN -0.308 nan 8.210 nan 0.000 0.473 192 A N 1.038 123.901 122.820 0.072 0.000 2.511 192 A HA 0.483 4.804 4.320 0.002 0.000 0.242 192 A C 1.294 178.882 177.584 0.007 0.000 1.069 192 A CA 0.357 52.391 52.037 -0.005 0.000 0.763 192 A CB 0.280 19.220 19.000 -0.101 0.000 1.001 192 A HN 1.112 nan 8.150 nan 0.000 0.498 193 A N 2.413 125.226 122.820 -0.012 0.000 2.131 193 A HA -0.196 4.125 4.320 0.002 0.000 0.220 193 A C 1.596 179.184 177.584 0.007 0.000 1.158 193 A CA 1.959 54.004 52.037 0.014 0.000 0.665 193 A CB -0.871 18.127 19.000 -0.005 0.000 0.795 193 A HN 1.057 nan 8.150 nan 0.000 0.460 194 N N -0.548 118.109 118.700 -0.072 0.000 2.409 194 N HA -0.119 4.622 4.740 0.002 0.000 0.179 194 N C 1.277 176.805 175.510 0.030 0.000 1.032 194 N CA 0.971 53.988 53.050 -0.055 0.000 0.898 194 N CB -0.349 37.969 38.487 -0.282 0.000 0.971 194 N HN 0.402 nan 8.380 nan 0.000 0.441 195 Q N 0.447 120.256 119.800 0.014 0.000 2.488 195 Q HA -0.087 4.255 4.340 0.002 0.000 0.211 195 Q C 0.791 176.788 176.000 -0.006 0.000 0.967 195 Q CA 0.614 56.419 55.803 0.003 0.000 0.926 195 Q CB -0.310 28.410 28.738 -0.030 0.000 0.992 195 Q HN 0.540 nan 8.270 nan 0.000 0.506 196 D N 2.094 122.549 120.400 0.093 0.000 2.230 196 D HA -0.261 4.380 4.640 0.002 0.000 0.189 196 D C 1.593 177.953 176.300 0.100 0.000 1.006 196 D CA 1.608 55.707 54.000 0.165 0.000 0.853 196 D CB -0.002 40.878 40.800 0.132 0.000 0.959 196 D HN 0.248 nan 8.370 nan 0.000 0.449 197 E N 0.015 120.254 120.200 0.065 0.000 2.409 197 E HA -0.168 4.183 4.350 0.002 0.000 0.198 197 E C 2.133 178.739 176.600 0.011 0.000 1.024 197 E CA 0.315 56.742 56.400 0.045 0.000 0.861 197 E CB -0.143 29.584 29.700 0.046 0.000 0.788 197 E HN 0.327 nan 8.360 nan 0.000 0.521 198 R N 0.084 120.570 120.500 -0.024 0.000 2.200 198 R HA 0.093 4.434 4.340 0.002 0.000 0.208 198 R C 0.479 176.709 176.300 -0.116 0.000 1.033 198 R CA 0.683 56.745 56.100 -0.064 0.000 1.000 198 R CB 0.077 30.335 30.300 -0.070 0.000 0.906 198 R HN -0.014 nan 8.270 nan 0.000 0.462 199 A N 2.092 124.803 122.820 -0.181 0.000 2.539 199 A HA 0.107 4.428 4.320 0.002 0.000 0.306 199 A C -0.380 177.186 177.584 -0.030 0.000 1.392 199 A CA -0.450 51.458 52.037 -0.215 0.000 1.060 199 A CB -0.591 18.073 19.000 -0.561 0.000 1.134 199 A HN 0.726 nan 8.150 nan 0.000 0.542 200 N N 1.107 119.795 118.700 -0.021 0.000 2.305 200 N HA 0.092 4.834 4.740 0.002 0.000 0.248 200 N C -0.358 175.165 175.510 0.021 0.000 1.290 200 N CA -0.369 52.692 53.050 0.018 0.000 0.873 200 N CB 0.415 38.909 38.487 0.011 0.000 1.261 200 N HN 0.567 nan 8.380 nan 0.000 0.504 201 N N 0.969 119.680 118.700 0.018 0.000 2.664 201 N HA 0.210 4.951 4.740 0.002 0.000 0.287 201 N C -1.278 174.262 175.510 0.051 0.000 1.869 201 N CA -0.426 52.642 53.050 0.030 0.000 0.832 201 N CB 0.609 39.105 38.487 0.015 0.000 1.293 201 N HN 0.175 nan 8.380 nan 0.000 0.498 202 C N 0.786 120.125 119.300 0.066 0.000 2.365 202 C HA 0.460 4.922 4.460 0.002 0.000 0.349 202 C C 2.096 177.114 174.990 0.047 0.000 1.191 202 C CA -0.747 58.316 59.018 0.075 0.000 2.114 202 C CB 0.568 28.384 27.740 0.126 0.000 2.367 202 C HN 0.600 nan 8.230 nan 0.000 0.530 203 I N 0.039 120.611 120.570 0.003 0.000 3.708 203 I HA 0.129 4.300 4.170 0.002 0.000 0.302 203 I C 0.590 176.676 176.117 -0.052 0.000 1.255 203 I CA 0.290 61.581 61.300 -0.015 0.000 1.362 203 I CB -0.362 37.617 38.000 -0.035 0.000 1.100 203 I HN 0.688 nan 8.210 nan 0.000 0.434 204 N N 4.119 122.737 118.700 -0.136 0.000 2.663 204 N HA 0.330 5.071 4.740 0.002 0.000 0.250 204 N C -0.957 174.585 175.510 0.054 0.000 1.129 204 N CA 0.035 53.014 53.050 -0.118 0.000 0.995 204 N CB 0.915 39.209 38.487 -0.322 0.000 1.324 204 N HN 0.430 nan 8.380 nan 0.000 0.512 205 L N 0.951 122.223 121.223 0.081 0.000 2.362 205 L HA 0.408 4.749 4.340 0.002 0.000 0.271 205 L C -0.060 176.859 176.870 0.082 0.000 1.002 205 L CA -1.206 53.680 54.840 0.077 0.000 0.818 205 L CB 1.717 43.815 42.059 0.064 0.000 1.298 205 L HN 0.362 nan 8.230 nan 0.000 0.420 206 D N -0.358 120.082 120.400 0.066 0.000 2.437 206 D HA 0.121 4.762 4.640 0.002 0.000 0.259 206 D C 0.916 177.244 176.300 0.045 0.000 1.118 206 D CA -0.631 53.403 54.000 0.056 0.000 1.017 206 D CB 0.566 41.392 40.800 0.043 0.000 1.120 206 D HN 0.720 nan 8.370 nan 0.000 0.541 207 E N 0.408 120.631 120.200 0.038 0.000 2.257 207 E HA -0.380 3.971 4.350 0.002 0.000 0.229 207 E C 0.851 177.469 176.600 0.030 0.000 1.089 207 E CA 1.607 58.026 56.400 0.032 0.000 0.947 207 E CB -0.669 29.046 29.700 0.025 0.000 0.808 207 E HN 0.527 nan 8.360 nan 0.000 0.471 208 K N 0.936 121.353 120.400 0.029 0.000 2.862 208 K HA 0.188 4.509 4.320 0.002 0.000 0.229 208 K C 0.818 177.437 176.600 0.032 0.000 1.107 208 K CA 0.300 56.603 56.287 0.028 0.000 1.222 208 K CB -0.001 32.513 32.500 0.023 0.000 1.067 208 K HN 0.374 nan 8.250 nan 0.000 0.464 209 G N 1.422 110.245 108.800 0.038 0.000 2.321 209 G HA2 -0.334 3.627 3.960 0.002 0.000 0.287 209 G HA3 -0.334 3.627 3.960 0.002 0.000 0.287 209 G C -0.610 174.319 174.900 0.048 0.000 1.018 209 G CA 0.450 45.576 45.100 0.044 0.000 0.855 209 G HN 0.673 nan 8.290 nan 0.000 0.507 210 N N -1.371 117.357 118.700 0.047 0.000 2.472 210 N HA 0.508 5.249 4.740 0.002 0.000 0.289 210 N C 0.446 175.990 175.510 0.057 0.000 1.156 210 N CA -1.075 52.004 53.050 0.049 0.000 0.940 210 N CB 1.663 40.172 38.487 0.036 0.000 1.200 210 N HN -0.005 nan 8.380 nan 0.000 0.511 211 V N 0.751 120.702 119.914 0.061 0.000 2.694 211 V HA 0.085 4.206 4.120 0.002 0.000 0.306 211 V C 0.626 176.742 176.094 0.036 0.000 1.054 211 V CA 0.628 62.963 62.300 0.059 0.000 1.161 211 V CB 0.806 32.645 31.823 0.027 0.000 0.916 211 V HN 0.726 nan 8.190 nan 0.000 0.490 212 T N 1.998 116.590 114.554 0.063 0.000 3.105 212 T HA 0.346 4.697 4.350 0.002 0.000 0.321 212 T C 0.252 175.005 174.700 0.087 0.000 1.135 212 T CA 0.042 62.175 62.100 0.055 0.000 1.053 212 T CB 1.487 70.398 68.868 0.073 0.000 1.133 212 T HN 0.939 nan 8.240 nan 0.000 0.463 213 T N 1.805 116.331 114.554 -0.046 0.000 3.312 213 T HA 0.346 4.697 4.350 0.002 0.000 0.251 213 T C 0.521 175.133 174.700 -0.147 0.000 1.012 213 T CA -0.503 61.445 62.100 -0.254 0.000 0.925 213 T CB -0.271 68.324 68.868 -0.454 0.000 1.049 213 T HN 0.533 nan 8.240 nan 0.000 0.583 214 R N 0.242 120.743 120.500 0.002 0.000 2.604 214 R HA 0.540 4.881 4.340 0.002 0.000 0.287 214 R C 0.594 176.853 176.300 -0.069 0.000 0.970 214 R CA 0.220 56.301 56.100 -0.032 0.000 0.946 214 R CB 0.845 31.137 30.300 -0.013 0.000 1.127 214 R HN 0.419 nan 8.270 nan 0.000 0.473 215 G N 3.074 111.780 108.800 -0.156 0.000 2.171 215 G HA2 -0.252 3.709 3.960 0.002 0.000 0.238 215 G HA3 -0.252 3.709 3.960 0.002 0.000 0.238 215 G C 0.483 174.960 174.900 -0.705 0.000 1.039 215 G CA 0.367 45.308 45.100 -0.265 0.000 0.759 215 G HN 0.747 nan 8.290 nan 0.000 0.501 216 K N -1.128 118.994 120.400 -0.464 0.000 2.281 216 K HA -0.098 4.223 4.320 0.002 0.000 0.203 216 K C 1.935 178.451 176.600 -0.139 0.000 1.046 216 K CA 1.268 57.368 56.287 -0.312 0.000 0.938 216 K CB -0.038 32.489 32.500 0.045 0.000 0.737 216 K HN 0.670 nan 8.250 nan 0.000 0.458 217 W N 1.885 123.060 121.300 -0.209 0.000 2.518 217 W HA -0.088 4.573 4.660 0.002 0.000 0.273 217 W C 1.087 177.543 176.519 -0.105 0.000 1.247 217 W CA 1.097 58.371 57.345 -0.120 0.000 1.288 217 W CB 0.095 29.502 29.460 -0.089 0.000 1.107 217 W HN 0.024 nan 8.180 nan 0.000 0.586 218 T N -0.256 114.254 114.554 -0.074 0.000 2.777 218 T HA -0.188 4.163 4.350 0.002 0.000 0.266 218 T C 1.259 175.933 174.700 -0.043 0.000 1.040 218 T CA 1.806 63.876 62.100 -0.051 0.000 1.141 218 T CB -0.638 68.235 68.868 0.010 0.000 0.868 218 T HN 0.340 nan 8.240 nan 0.000 0.444 219 H N 0.677 119.689 119.070 -0.096 0.000 2.319 219 H HA -0.005 4.552 4.556 0.002 0.000 0.299 219 H C 2.397 177.542 175.328 -0.303 0.000 1.092 219 H CA 0.764 56.718 56.048 -0.156 0.000 1.302 219 H CB -0.138 29.569 29.762 -0.091 0.000 1.373 219 H HN 0.067 nan 8.280 nan 0.000 0.497 220 L N 1.327 122.395 121.223 -0.259 0.000 2.042 220 L HA -0.211 4.131 4.340 0.002 0.000 0.210 220 L C 1.849 178.459 176.870 -0.432 0.000 1.076 220 L CA 1.735 56.307 54.840 -0.447 0.000 0.749 220 L CB -0.649 41.009 42.059 -0.668 0.000 0.893 220 L HN 0.390 nan 8.230 nan 0.000 0.432 221 Q N -0.467 119.071 119.800 -0.436 0.000 2.167 221 Q HA -0.205 4.136 4.340 0.002 0.000 0.202 221 Q C 2.189 178.104 176.000 -0.142 0.000 0.970 221 Q CA 1.067 56.696 55.803 -0.290 0.000 0.855 221 Q CB -0.338 28.257 28.738 -0.238 0.000 0.911 221 Q HN 0.417 nan 8.270 nan 0.000 0.438 222 R N 1.238 121.670 120.500 -0.114 0.000 2.062 222 R HA -0.048 4.293 4.340 0.002 0.000 0.229 222 R C 2.087 178.366 176.300 -0.034 0.000 1.128 222 R CA 1.021 57.097 56.100 -0.040 0.000 0.960 222 R CB -0.611 29.680 30.300 -0.015 0.000 0.855 222 R HN 0.101 nan 8.270 nan 0.000 0.432 223 I N 1.161 121.635 120.570 -0.160 0.000 2.208 223 I HA -0.263 3.908 4.170 0.002 0.000 0.245 223 I C 2.230 178.347 176.117 0.000 0.000 1.097 223 I CA 1.569 62.754 61.300 -0.191 0.000 1.363 223 I CB -1.033 36.605 38.000 -0.604 0.000 1.051 223 I HN 0.250 nan 8.210 nan 0.000 0.413 224 R N 0.042 120.500 120.500 -0.070 0.000 2.096 224 R HA -0.190 4.151 4.340 0.002 0.000 0.235 224 R C 2.373 178.709 176.300 0.061 0.000 1.127 224 R CA 1.172 57.269 56.100 -0.006 0.000 0.968 224 R CB -0.345 29.910 30.300 -0.075 0.000 0.861 224 R HN 0.156 nan 8.270 nan 0.000 0.440 225 R N 1.323 121.852 120.500 0.049 0.000 2.115 225 R HA -0.092 4.249 4.340 0.002 0.000 0.230 225 R C 1.274 177.653 176.300 0.131 0.000 1.111 225 R CA 1.593 57.737 56.100 0.073 0.000 0.976 225 R CB -0.527 29.804 30.300 0.051 0.000 0.870 225 R HN 0.133 nan 8.270 nan 0.000 0.445 226 D N 0.168 120.683 120.400 0.192 0.000 2.104 226 D HA -0.151 4.490 4.640 0.002 0.000 0.194 226 D C 1.937 178.407 176.300 0.283 0.000 0.994 226 D CA 1.712 55.877 54.000 0.275 0.000 0.830 226 D CB -0.203 40.916 40.800 0.530 0.000 0.959 226 D HN 0.274 nan 8.370 nan 0.000 0.452 227 I N 0.870 121.640 120.570 0.334 0.000 2.163 227 I HA -0.325 3.846 4.170 0.002 0.000 0.243 227 I C 2.486 178.744 176.117 0.235 0.000 1.085 227 I CA 1.240 62.731 61.300 0.319 0.000 1.347 227 I CB -0.323 37.854 38.000 0.296 0.000 1.044 227 I HN 0.044 nan 8.210 nan 0.000 0.408 228 Q N 0.588 120.483 119.800 0.160 0.000 2.061 228 Q HA -0.231 4.110 4.340 0.002 0.000 0.204 228 Q C 1.989 178.043 176.000 0.089 0.000 0.984 228 Q CA 1.978 57.842 55.803 0.102 0.000 0.846 228 Q CB -0.413 28.369 28.738 0.073 0.000 0.902 228 Q HN 0.586 nan 8.270 nan 0.000 0.421 229 N N -0.010 118.756 118.700 0.109 0.000 2.069 229 N HA -0.187 4.554 4.740 0.002 0.000 0.191 229 N C 1.630 177.201 175.510 0.101 0.000 1.031 229 N CA 1.042 54.147 53.050 0.091 0.000 0.852 229 N CB -0.203 38.345 38.487 0.101 0.000 1.018 229 N HN 0.118 nan 8.380 nan 0.000 0.423 230 F N 2.496 122.443 119.950 -0.006 0.000 2.065 230 F HA -0.205 4.323 4.527 0.002 0.000 0.298 230 F C 2.300 178.086 175.800 -0.023 0.000 1.112 230 F CA 1.558 59.535 58.000 -0.039 0.000 1.212 230 F CB -0.427 38.527 39.000 -0.077 0.000 0.975 230 F HN -0.139 nan 8.300 nan 0.000 0.476 231 K N 0.392 120.684 120.400 -0.180 0.000 2.020 231 K HA -0.281 4.040 4.320 0.002 0.000 0.212 231 K C 2.160 178.627 176.600 -0.222 0.000 1.050 231 K CA 2.239 58.367 56.287 -0.266 0.000 0.929 231 K CB -0.421 32.045 32.500 -0.056 0.000 0.714 231 K HN 0.650 nan 8.250 nan 0.000 0.443 232 E N -0.021 120.112 120.200 -0.112 0.000 2.152 232 E HA -0.185 4.166 4.350 0.002 0.000 0.192 232 E C 1.525 178.068 176.600 -0.096 0.000 0.983 232 E CA 1.157 57.507 56.400 -0.083 0.000 0.818 232 E CB -0.135 29.544 29.700 -0.035 0.000 0.758 232 E HN 0.402 nan 8.360 nan 0.000 0.467 233 E N 0.453 120.591 120.200 -0.103 0.000 2.338 233 E HA -0.040 4.311 4.350 0.002 0.000 0.197 233 E C 1.087 177.614 176.600 -0.121 0.000 1.007 233 E CA 0.618 56.970 56.400 -0.081 0.000 0.849 233 E CB 0.078 29.756 29.700 -0.036 0.000 0.774 233 E HN 0.304 nan 8.360 nan 0.000 0.506 234 N N -0.555 118.013 118.700 -0.219 0.000 2.171 234 N HA 0.153 4.894 4.740 0.002 0.000 0.212 234 N C -0.176 175.233 175.510 -0.169 0.000 1.184 234 N CA 0.649 53.565 53.050 -0.224 0.000 0.888 234 N CB 1.411 39.654 38.487 -0.407 0.000 1.038 234 N HN 0.018 nan 8.380 nan 0.000 0.517 235 A N 0.929 123.664 122.820 -0.141 0.000 2.791 235 A HA -0.201 4.120 4.320 0.002 0.000 0.292 235 A C -0.048 177.475 177.584 -0.102 0.000 1.487 235 A CA 0.653 52.633 52.037 -0.096 0.000 0.760 235 A CB -2.337 16.625 19.000 -0.064 0.000 1.031 235 A HN 0.300 nan 8.150 nan 0.000 0.503 236 L N -0.700 120.434 121.223 -0.148 0.000 2.360 236 L HA 0.484 4.825 4.340 0.002 0.000 0.271 236 L C 0.976 177.796 176.870 -0.083 0.000 1.057 236 L CA -0.858 53.905 54.840 -0.129 0.000 0.803 236 L CB 0.972 42.904 42.059 -0.212 0.000 1.207 236 L HN 0.348 nan 8.230 nan 0.000 0.445 237 D N 0.089 120.461 120.400 -0.047 0.000 2.525 237 D HA 0.101 4.742 4.640 0.002 0.000 0.248 237 D C 0.288 176.582 176.300 -0.011 0.000 1.000 237 D CA 0.791 54.776 54.000 -0.025 0.000 0.923 237 D CB 0.733 41.523 40.800 -0.016 0.000 1.101 237 D HN 0.382 nan 8.370 nan 0.000 0.493 238 K N 0.869 121.267 120.400 -0.004 0.000 2.156 238 K HA 0.616 4.937 4.320 0.002 0.000 0.254 238 K C -0.806 175.812 176.600 0.030 0.000 0.950 238 K CA -0.572 55.724 56.287 0.016 0.000 0.849 238 K CB 3.046 35.560 32.500 0.022 0.000 1.100 238 K HN -0.239 nan 8.250 nan 0.000 0.434 239 V N 3.440 123.389 119.914 0.059 0.000 2.969 239 V HA 0.441 4.562 4.120 0.002 0.000 0.304 239 V C -0.937 175.208 176.094 0.086 0.000 1.192 239 V CA -0.850 61.511 62.300 0.102 0.000 0.962 239 V CB 2.096 34.031 31.823 0.186 0.000 1.045 239 V HN 0.655 nan 8.190 nan 0.000 0.428 240 I N 3.180 123.779 120.570 0.048 0.000 2.608 240 I HA 0.640 4.811 4.170 0.002 0.000 0.295 240 I C -0.920 175.216 176.117 0.032 0.000 1.049 240 I CA -1.082 60.241 61.300 0.037 0.000 1.063 240 I CB 2.394 40.374 38.000 -0.032 0.000 1.248 240 I HN 0.268 nan 8.210 nan 0.000 0.424 241 V N 6.312 126.272 119.914 0.077 0.000 2.513 241 V HA 0.511 4.632 4.120 0.002 0.000 0.299 241 V C -0.523 175.507 176.094 -0.108 0.000 1.035 241 V CA -0.610 61.740 62.300 0.084 0.000 0.889 241 V CB 2.199 34.203 31.823 0.303 0.000 0.988 241 V HN 0.474 nan 8.190 nan 0.000 0.440 242 L N 4.665 125.806 121.223 -0.137 0.000 2.438 242 L HA 0.524 4.865 4.340 0.002 0.000 0.270 242 L C -1.073 175.698 176.870 -0.164 0.000 0.972 242 L CA -0.359 54.353 54.840 -0.214 0.000 0.831 242 L CB 1.601 43.570 42.059 -0.149 0.000 1.273 242 L HN 0.818 nan 8.230 nan 0.000 0.405 243 W N 5.468 126.534 121.300 -0.391 0.000 2.388 243 W HA 0.281 4.942 4.660 0.001 0.000 0.308 243 W C -0.561 175.856 176.519 -0.170 0.000 1.263 243 W CA -0.121 57.065 57.345 -0.266 0.000 1.286 243 W CB 1.386 30.716 29.460 -0.216 0.000 1.294 243 W HN 0.594 nan 8.180 nan 0.000 0.493 244 T N 4.856 119.131 114.554 -0.465 0.000 3.741 244 T HA 0.512 4.863 4.350 0.002 0.000 0.242 244 T C -0.331 174.092 174.700 -0.462 0.000 1.042 244 T CA -0.070 61.856 62.100 -0.290 0.000 1.278 244 T CB -0.843 67.924 68.868 -0.167 0.000 0.994 244 T HN 0.466 nan 8.240 nan 0.000 0.594 245 A N 1.273 123.573 122.820 -0.866 0.000 2.373 245 A HA 0.711 5.032 4.320 0.002 0.000 0.291 245 A C 0.235 177.726 177.584 -0.156 0.000 1.171 245 A CA -0.943 50.683 52.037 -0.684 0.000 0.922 245 A CB 0.648 18.878 19.000 -1.284 0.000 1.400 245 A HN 0.645 nan 8.150 nan 0.000 0.474 246 N N -0.100 118.577 118.700 -0.039 0.000 2.265 246 N HA 0.016 4.757 4.740 0.002 0.000 0.231 246 N C -0.468 175.222 175.510 0.300 0.000 1.266 246 N CA 0.769 53.893 53.050 0.123 0.000 0.862 246 N CB 0.218 38.767 38.487 0.102 0.000 1.100 246 N HN 0.546 nan 8.380 nan 0.000 0.439 247 T N 2.217 116.906 114.554 0.225 0.000 2.761 247 T HA 0.091 4.442 4.350 0.002 0.000 0.296 247 T C 0.200 175.019 174.700 0.198 0.000 0.934 247 T CA -0.192 62.037 62.100 0.215 0.000 1.091 247 T CB 0.437 69.399 68.868 0.156 0.000 0.896 247 T HN 0.344 nan 8.240 nan 0.000 0.515 248 E N 2.130 122.431 120.200 0.169 0.000 2.322 248 E HA 0.356 4.708 4.350 0.002 0.000 0.257 248 E C 0.421 177.132 176.600 0.185 0.000 1.155 248 E CA -0.970 55.540 56.400 0.183 0.000 0.936 248 E CB 0.908 30.663 29.700 0.091 0.000 1.130 248 E HN 0.563 nan 8.360 nan 0.000 0.465 249 R N 0.280 120.929 120.500 0.248 0.000 2.459 249 R HA 0.224 4.565 4.340 0.002 0.000 0.281 249 R C -0.779 175.693 176.300 0.287 0.000 1.050 249 R CA -0.652 55.593 56.100 0.242 0.000 1.055 249 R CB 0.254 30.665 30.300 0.185 0.000 1.045 249 R HN 0.410 nan 8.270 nan 0.000 0.495 250 Y N 1.374 121.710 120.300 0.059 0.000 2.702 250 Y HA 0.022 4.572 4.550 0.002 0.000 0.336 250 Y C 0.707 176.660 175.900 0.088 0.000 1.235 250 Y CA -0.082 58.042 58.100 0.040 0.000 1.492 250 Y CB 0.777 39.246 38.460 0.014 0.000 1.308 250 Y HN 0.471 nan 8.280 nan 0.000 0.589 251 V N 1.586 121.590 119.914 0.151 0.000 2.472 251 V HA 0.417 4.538 4.120 0.002 0.000 0.290 251 V C -0.153 176.024 176.094 0.139 0.000 1.037 251 V CA -1.350 61.057 62.300 0.177 0.000 0.908 251 V CB 1.553 33.460 31.823 0.140 0.000 0.985 251 V HN 0.784 nan 8.190 nan 0.000 0.454 252 E N 2.962 123.248 120.200 0.144 0.000 2.376 252 E HA 0.334 4.685 4.350 0.002 0.000 0.266 252 E C -0.813 175.840 176.600 0.087 0.000 1.009 252 E CA -0.427 56.041 56.400 0.114 0.000 0.902 252 E CB 1.433 31.194 29.700 0.102 0.000 0.972 252 E HN 0.751 nan 8.360 nan 0.000 0.439 253 V N 3.968 123.921 119.914 0.066 0.000 2.432 253 V HA 0.228 4.349 4.120 0.002 0.000 0.275 253 V C -0.223 175.889 176.094 0.031 0.000 1.043 253 V CA -0.203 62.120 62.300 0.038 0.000 0.925 253 V CB 1.350 33.194 31.823 0.035 0.000 0.985 253 V HN 0.584 nan 8.190 nan 0.000 0.466 254 S N 6.391 122.096 115.700 0.009 0.000 2.547 254 S HA 0.506 4.977 4.470 0.002 0.000 0.281 254 S C -2.818 171.771 174.600 -0.018 0.000 1.118 254 S CA -1.022 57.181 58.200 0.005 0.000 0.947 254 S CB 2.449 65.662 63.200 0.022 0.000 1.053 254 S HN 0.624 nan 8.310 nan 0.000 0.482 255 P HA 0.121 nan 4.420 nan 0.000 0.261 255 P C 0.890 178.175 177.300 -0.026 0.000 1.183 255 P CA 1.062 64.155 63.100 -0.012 0.000 0.761 255 P CB 0.133 31.833 31.700 -0.001 0.000 0.785 256 G N 1.716 110.495 108.800 -0.035 0.000 2.176 256 G HA2 -0.271 3.690 3.960 0.002 0.000 0.253 256 G HA3 -0.271 3.690 3.960 0.002 0.000 0.253 256 G C 0.539 175.386 174.900 -0.087 0.000 0.979 256 G CA 0.228 45.301 45.100 -0.045 0.000 0.641 256 G HN 0.410 nan 8.290 nan 0.000 0.530 257 V N 0.701 120.541 119.914 -0.123 0.000 2.695 257 V HA 0.207 4.328 4.120 0.002 0.000 0.230 257 V C 1.583 177.566 176.094 -0.185 0.000 1.110 257 V CA 1.752 63.900 62.300 -0.252 0.000 1.159 257 V CB -0.200 31.418 31.823 -0.343 0.000 0.875 257 V HN 0.690 nan 8.190 nan 0.000 0.502 258 N N 0.102 118.729 118.700 -0.121 0.000 2.451 258 N HA 0.052 4.794 4.740 0.002 0.000 0.271 258 N C 0.014 175.505 175.510 -0.031 0.000 1.410 258 N CA 0.402 53.411 53.050 -0.069 0.000 0.884 258 N CB 0.342 38.793 38.487 -0.059 0.000 1.332 258 N HN 0.520 nan 8.380 nan 0.000 0.498 259 D N 0.513 120.897 120.400 -0.027 0.000 2.333 259 D HA -0.045 4.596 4.640 0.002 0.000 0.208 259 D C 0.633 176.937 176.300 0.007 0.000 0.984 259 D CA 0.769 54.766 54.000 -0.004 0.000 0.873 259 D CB 0.100 40.898 40.800 -0.003 0.000 0.935 259 D HN 0.304 nan 8.370 nan 0.000 0.521 260 T N -4.645 109.909 114.554 -0.001 0.000 2.864 260 T HA 0.345 4.696 4.350 0.002 0.000 0.299 260 T C 0.940 175.642 174.700 0.003 0.000 1.166 260 T CA -0.838 61.267 62.100 0.009 0.000 1.007 260 T CB 1.798 70.670 68.868 0.007 0.000 1.219 260 T HN -0.107 nan 8.240 nan 0.000 0.506 261 M N 0.804 120.410 119.600 0.011 0.000 2.163 261 M HA -0.209 4.272 4.480 0.002 0.000 0.258 261 M C 1.924 178.214 176.300 -0.018 0.000 1.071 261 M CA 2.435 57.733 55.300 -0.003 0.000 1.093 261 M CB -0.527 32.066 32.600 -0.012 0.000 1.285 261 M HN 0.878 nan 8.290 nan 0.000 0.420 262 E N 0.699 120.883 120.200 -0.026 0.000 2.070 262 E HA -0.204 4.147 4.350 0.002 0.000 0.197 262 E C 1.593 178.172 176.600 -0.036 0.000 1.004 262 E CA 2.207 58.585 56.400 -0.036 0.000 0.805 262 E CB -0.609 29.071 29.700 -0.033 0.000 0.744 262 E HN 0.677 nan 8.360 nan 0.000 0.451 263 N N 0.036 118.717 118.700 -0.033 0.000 2.084 263 N HA -0.172 4.569 4.740 0.002 0.000 0.190 263 N C 1.910 177.392 175.510 -0.047 0.000 1.030 263 N CA 0.910 53.933 53.050 -0.045 0.000 0.849 263 N CB -0.206 38.253 38.487 -0.048 0.000 1.012 263 N HN 0.033 nan 8.380 nan 0.000 0.423 264 L N 1.782 122.986 121.223 -0.032 0.000 1.989 264 L HA -0.162 4.179 4.340 0.002 0.000 0.211 264 L C 2.092 178.973 176.870 0.018 0.000 1.071 264 L CA 1.427 56.255 54.840 -0.020 0.000 0.749 264 L CB -0.466 41.588 42.059 -0.009 0.000 0.890 264 L HN 0.174 nan 8.230 nan 0.000 0.431 265 L N -0.913 120.332 121.223 0.037 0.000 2.042 265 L HA -0.266 4.075 4.340 0.002 0.000 0.210 265 L C 2.687 179.579 176.870 0.037 0.000 1.076 265 L CA 1.588 56.493 54.840 0.108 0.000 0.749 265 L CB -0.607 41.505 42.059 0.088 0.000 0.893 265 L HN 0.422 nan 8.230 nan 0.000 0.432 266 Q N -0.120 119.654 119.800 -0.044 0.000 2.079 266 Q HA -0.146 4.195 4.340 0.002 0.000 0.200 266 Q C 2.294 178.274 176.000 -0.033 0.000 0.974 266 Q CA 2.072 57.823 55.803 -0.088 0.000 0.840 266 Q CB -0.162 28.524 28.738 -0.086 0.000 0.898 266 Q HN 0.339 nan 8.270 nan 0.000 0.430 267 S N 0.205 115.898 115.700 -0.013 0.000 2.365 267 S HA -0.178 4.293 4.470 0.002 0.000 0.225 267 S C 1.853 176.507 174.600 0.090 0.000 1.039 267 S CA 1.479 59.692 58.200 0.021 0.000 1.033 267 S CB -0.463 62.702 63.200 -0.058 0.000 0.887 267 S HN 0.430 nan 8.310 nan 0.000 0.447 268 I N 1.431 122.068 120.570 0.112 0.000 2.151 268 I HA -0.273 3.898 4.170 0.002 0.000 0.243 268 I C 2.401 178.634 176.117 0.194 0.000 1.080 268 I CA 1.358 62.765 61.300 0.179 0.000 1.339 268 I CB -0.345 37.818 38.000 0.272 0.000 1.039 268 I HN 0.275 nan 8.210 nan 0.000 0.409 269 K N 0.648 121.131 120.400 0.139 0.000 2.057 269 K HA -0.127 4.194 4.320 0.002 0.000 0.206 269 K C 1.418 178.018 176.600 0.000 0.000 1.050 269 K CA 1.465 57.763 56.287 0.018 0.000 0.935 269 K CB -0.396 31.953 32.500 -0.251 0.000 0.715 269 K HN 0.492 nan 8.250 nan 0.000 0.439 270 N N 1.263 119.968 118.700 0.008 0.000 2.515 270 N HA -0.069 4.672 4.740 0.002 0.000 0.191 270 N C -0.838 174.690 175.510 0.031 0.000 1.182 270 N CA -0.046 53.013 53.050 0.014 0.000 0.879 270 N CB 0.156 38.663 38.487 0.034 0.000 0.984 270 N HN 0.069 nan 8.380 nan 0.000 0.453 271 D N 0.306 120.729 120.400 0.040 0.000 2.723 271 D HA -0.210 4.431 4.640 0.002 0.000 0.236 271 D C -0.053 176.263 176.300 0.027 0.000 1.138 271 D CA 0.929 54.936 54.000 0.011 0.000 0.676 271 D CB -1.934 38.840 40.800 -0.044 0.000 1.069 271 D HN 0.530 nan 8.370 nan 0.000 0.430 272 H N 0.306 119.379 119.070 0.005 0.000 2.897 272 H HA 0.094 4.651 4.556 0.002 0.000 0.347 272 H C 1.229 176.584 175.328 0.045 0.000 1.068 272 H CA 0.764 56.822 56.048 0.017 0.000 1.426 272 H CB 0.658 30.436 29.762 0.027 0.000 1.410 272 H HN 0.086 nan 8.280 nan 0.000 0.597 273 E N 2.611 122.593 120.200 -0.364 0.000 2.526 273 E HA -0.081 4.270 4.350 0.002 0.000 0.198 273 E C 0.440 177.141 176.600 0.167 0.000 1.091 273 E CA 0.262 56.591 56.400 -0.119 0.000 0.880 273 E CB 0.298 29.855 29.700 -0.238 0.000 0.873 273 E HN 0.560 nan 8.360 nan 0.000 0.527 274 E N 0.092 120.534 120.200 0.405 0.000 2.538 274 E HA 0.088 4.439 4.350 0.002 0.000 0.207 274 E C -0.242 176.554 176.600 0.327 0.000 1.002 274 E CA -0.071 56.599 56.400 0.450 0.000 0.952 274 E CB 0.675 30.639 29.700 0.441 0.000 1.031 274 E HN 0.121 nan 8.360 nan 0.000 0.476 275 I N 1.910 122.662 120.570 0.302 0.000 2.291 275 I HA 0.304 4.475 4.170 0.002 0.000 0.290 275 I C 0.498 176.583 176.117 -0.052 0.000 1.050 275 I CA -0.673 60.693 61.300 0.111 0.000 1.245 275 I CB 0.394 38.483 38.000 0.148 0.000 1.405 275 I HN -0.179 nan 8.210 nan 0.000 0.478 276 A N 8.918 131.458 122.820 -0.467 0.000 2.264 276 A HA 0.623 4.944 4.320 0.002 0.000 0.304 276 A C -1.582 175.684 177.584 -0.529 0.000 1.100 276 A CA -1.297 50.077 52.037 -1.105 0.000 0.839 276 A CB 0.266 18.515 19.000 -1.252 0.000 1.121 276 A HN 0.457 nan 8.150 nan 0.000 0.496 277 P HA -0.211 nan 4.420 nan 0.000 0.216 277 P C 1.791 179.060 177.300 -0.051 0.000 1.153 277 P CA 2.474 65.379 63.100 -0.324 0.000 0.858 277 P CB 0.020 31.634 31.700 -0.142 0.000 0.789 278 S N -1.900 113.611 115.700 -0.315 0.000 2.383 278 S HA -0.176 4.295 4.470 0.002 0.000 0.229 278 S C 1.896 176.264 174.600 -0.387 0.000 1.030 278 S CA 2.032 59.908 58.200 -0.540 0.000 1.002 278 S CB -2.025 60.418 63.200 -1.262 0.000 0.829 278 S HN 0.123 nan 8.310 nan 0.000 0.467 279 T N 2.888 117.210 114.554 -0.386 0.000 2.720 279 T HA 0.048 4.400 4.350 0.002 0.000 0.268 279 T C 1.735 176.282 174.700 -0.256 0.000 1.037 279 T CA 1.639 63.549 62.100 -0.318 0.000 1.144 279 T CB -0.497 68.231 68.868 -0.233 0.000 0.864 279 T HN 0.423 nan 8.240 nan 0.000 0.444 280 I N -0.216 120.220 120.570 -0.223 0.000 2.252 280 I HA -0.091 4.080 4.170 0.002 0.000 0.245 280 I C 2.022 177.932 176.117 -0.345 0.000 1.102 280 I CA 1.360 62.497 61.300 -0.272 0.000 1.385 280 I CB -0.374 37.443 38.000 -0.305 0.000 1.064 280 I HN 0.172 nan 8.210 nan 0.000 0.414 281 F N 1.012 120.798 119.950 -0.274 0.000 2.146 281 F HA -0.191 4.338 4.527 0.002 0.000 0.298 281 F C 2.646 178.238 175.800 -0.346 0.000 1.096 281 F CA 1.397 59.253 58.000 -0.240 0.000 1.275 281 F CB -0.629 38.353 39.000 -0.029 0.000 1.008 281 F HN -0.005 nan 8.300 nan 0.000 0.480 282 A N 0.155 122.668 122.820 -0.511 0.000 1.865 282 A HA -0.146 4.175 4.320 0.002 0.000 0.217 282 A C 2.411 179.780 177.584 -0.357 0.000 1.191 282 A CA 1.964 53.438 52.037 -0.938 0.000 0.623 282 A CB -1.410 17.052 19.000 -0.897 0.000 0.826 282 A HN 0.315 nan 8.150 nan 0.000 0.444 283 A N -0.281 122.387 122.820 -0.254 0.000 1.908 283 A HA 0.126 4.447 4.320 0.002 0.000 0.218 283 A C 2.510 180.010 177.584 -0.140 0.000 1.181 283 A CA 2.287 54.231 52.037 -0.154 0.000 0.627 283 A CB -1.036 17.878 19.000 -0.144 0.000 0.818 283 A HN 1.107 nan 8.150 nan 0.000 0.445 284 A N -0.512 122.199 122.820 -0.182 0.000 1.902 284 A HA -0.058 4.263 4.320 0.002 0.000 0.217 284 A C 2.449 180.014 177.584 -0.032 0.000 1.181 284 A CA 2.076 54.020 52.037 -0.154 0.000 0.623 284 A CB -0.857 18.004 19.000 -0.232 0.000 0.818 284 A HN 0.475 nan 8.150 nan 0.000 0.443 285 S N -0.058 115.665 115.700 0.039 0.000 2.368 285 S HA -0.095 4.376 4.470 0.002 0.000 0.225 285 S C 1.814 176.478 174.600 0.108 0.000 1.030 285 S CA 1.418 59.709 58.200 0.152 0.000 0.999 285 S CB -0.494 62.902 63.200 0.326 0.000 0.844 285 S HN 0.528 nan 8.310 nan 0.000 0.459 286 I N 1.484 122.092 120.570 0.063 0.000 2.226 286 I HA -0.177 3.994 4.170 0.002 0.000 0.245 286 I C 1.926 178.066 176.117 0.039 0.000 1.100 286 I CA 1.160 62.494 61.300 0.057 0.000 1.374 286 I CB -0.352 37.669 38.000 0.035 0.000 1.057 286 I HN 0.236 nan 8.210 nan 0.000 0.413 287 L N -0.029 121.201 121.223 0.013 0.000 2.275 287 L HA -0.126 4.215 4.340 0.002 0.000 0.215 287 L C 2.042 178.926 176.870 0.023 0.000 1.119 287 L CA 0.817 55.663 54.840 0.010 0.000 0.790 287 L CB -0.416 41.627 42.059 -0.026 0.000 0.919 287 L HN 0.229 nan 8.230 nan 0.000 0.443 288 E N 0.202 120.422 120.200 0.035 0.000 2.479 288 E HA 0.069 4.420 4.350 0.002 0.000 0.193 288 E C 1.327 177.959 176.600 0.053 0.000 1.049 288 E CA 0.628 57.057 56.400 0.049 0.000 0.870 288 E CB 0.404 30.148 29.700 0.073 0.000 0.944 288 E HN 0.416 nan 8.360 nan 0.000 0.492 289 G N 1.273 110.104 108.800 0.051 0.000 2.221 289 G HA2 -0.260 3.701 3.960 0.002 0.000 0.265 289 G HA3 -0.260 3.701 3.960 0.002 0.000 0.265 289 G C 0.143 175.073 174.900 0.050 0.000 1.041 289 G CA 0.454 45.575 45.100 0.035 0.000 0.807 289 G HN 0.147 nan 8.290 nan 0.000 0.502 290 V N 0.943 120.914 119.914 0.095 0.000 2.398 290 V HA 0.455 4.576 4.120 0.002 0.000 0.286 290 V C -1.725 174.473 176.094 0.174 0.000 1.026 290 V CA -1.851 60.526 62.300 0.129 0.000 0.868 290 V CB 2.030 33.955 31.823 0.169 0.000 0.982 290 V HN 0.108 nan 8.190 nan 0.000 0.443 291 P HA 0.054 nan 4.420 nan 0.000 0.264 291 P C -1.376 176.083 177.300 0.264 0.000 1.193 291 P CA 0.315 63.555 63.100 0.234 0.000 0.763 291 P CB 0.063 31.905 31.700 0.236 0.000 0.810 292 Y N 4.467 124.874 120.300 0.178 0.000 2.331 292 Y HA 0.565 5.116 4.550 0.002 0.000 0.334 292 Y C -0.844 175.202 175.900 0.244 0.000 0.960 292 Y CA -0.810 57.417 58.100 0.212 0.000 1.130 292 Y CB 0.878 39.490 38.460 0.253 0.000 1.164 292 Y HN 0.209 nan 8.280 nan 0.000 0.458 293 I N 6.499 126.906 120.570 -0.272 0.000 2.362 293 I HA 0.244 4.415 4.170 0.002 0.000 0.289 293 I C -0.429 175.568 176.117 -0.199 0.000 0.994 293 I CA -0.594 60.652 61.300 -0.090 0.000 1.158 293 I CB 1.475 39.436 38.000 -0.065 0.000 1.315 293 I HN 0.660 nan 8.210 nan 0.000 0.451 294 N N 4.780 123.556 118.700 0.128 0.000 2.415 294 N HA 0.192 4.933 4.740 0.002 0.000 0.246 294 N C 0.839 176.415 175.510 0.109 0.000 1.078 294 N CA -0.189 52.916 53.050 0.092 0.000 0.942 294 N CB 1.074 39.609 38.487 0.081 0.000 1.140 294 N HN 0.899 nan 8.380 nan 0.000 0.501 295 G N 1.758 110.648 108.800 0.150 0.000 3.233 295 G HA2 0.057 4.018 3.960 0.002 0.000 0.227 295 G HA3 0.057 4.018 3.960 0.002 0.000 0.227 295 G C -0.087 174.915 174.900 0.170 0.000 1.175 295 G CA -0.041 45.145 45.100 0.144 0.000 0.781 295 G HN 0.452 nan 8.290 nan 0.000 0.542 296 S N -0.017 115.785 115.700 0.170 0.000 2.648 296 S HA 0.491 4.962 4.470 0.002 0.000 0.305 296 S C -1.753 172.868 174.600 0.036 0.000 1.094 296 S CA -1.028 57.254 58.200 0.135 0.000 0.983 296 S CB 2.785 66.121 63.200 0.225 0.000 1.101 296 S HN -0.025 nan 8.310 nan 0.000 0.514 297 P HA -0.057 nan 4.420 nan 0.000 0.233 297 P C 0.093 177.391 177.300 -0.004 0.000 1.167 297 P CA 0.466 63.596 63.100 0.049 0.000 0.770 297 P CB 0.003 31.754 31.700 0.085 0.000 0.837 298 Q N 2.137 121.875 119.800 -0.104 0.000 2.392 298 Q HA -0.001 4.340 4.340 0.002 0.000 0.262 298 Q C 0.143 175.820 176.000 -0.538 0.000 1.003 298 Q CA 0.103 55.720 55.803 -0.311 0.000 0.888 298 Q CB -0.112 28.479 28.738 -0.247 0.000 1.260 298 Q HN 0.101 nan 8.270 nan 0.000 0.435 299 N N 2.705 120.863 118.700 -0.903 0.000 3.103 299 N HA -0.022 4.719 4.740 0.002 0.000 0.305 299 N C -0.123 175.111 175.510 -0.459 0.000 1.232 299 N CA -0.013 52.652 53.050 -0.641 0.000 1.190 299 N CB 0.153 38.203 38.487 -0.728 0.000 1.461 299 N HN 0.509 nan 8.380 nan 0.000 0.538 300 T N 0.137 114.363 114.554 -0.546 0.000 2.833 300 T HA -0.037 4.314 4.350 0.002 0.000 0.269 300 T C 0.281 174.632 174.700 -0.581 0.000 1.054 300 T CA 0.974 62.674 62.100 -0.667 0.000 1.135 300 T CB -0.294 67.997 68.868 -0.963 0.000 0.869 300 T HN 0.464 nan 8.240 nan 0.000 0.466 301 F N 3.310 123.171 119.950 -0.149 0.000 2.626 301 F HA 0.310 4.838 4.527 0.002 0.000 0.353 301 F C 0.812 176.567 175.800 -0.076 0.000 1.230 301 F CA -1.231 56.711 58.000 -0.098 0.000 1.298 301 F CB -0.491 38.481 39.000 -0.048 0.000 1.670 301 F HN -0.070 nan 8.300 nan 0.000 0.633 302 V N -0.384 119.554 119.914 0.040 0.000 3.237 302 V HA 0.127 4.248 4.120 0.002 0.000 0.305 302 V C -1.599 174.532 176.094 0.061 0.000 1.096 302 V CA -1.453 60.862 62.300 0.026 0.000 1.130 302 V CB 0.377 32.190 31.823 -0.017 0.000 1.048 302 V HN 0.184 nan 8.190 nan 0.000 0.484 303 P HA -0.138 nan 4.420 nan 0.000 0.216 303 P C 1.702 179.033 177.300 0.052 0.000 1.167 303 P CA 2.410 65.544 63.100 0.056 0.000 0.914 303 P CB -0.263 31.463 31.700 0.044 0.000 0.793 304 G N -0.856 107.963 108.800 0.031 0.000 2.450 304 G HA2 -0.256 3.705 3.960 0.002 0.000 0.220 304 G HA3 -0.256 3.705 3.960 0.002 0.000 0.220 304 G C 1.469 176.389 174.900 0.033 0.000 1.130 304 G CA 0.524 45.638 45.100 0.025 0.000 0.760 304 G HN 0.190 nan 8.290 nan 0.000 0.557 305 L N 0.529 121.777 121.223 0.041 0.000 2.044 305 L HA 0.090 4.431 4.340 0.002 0.000 0.205 305 L C 3.012 179.929 176.870 0.078 0.000 1.075 305 L CA 1.098 55.972 54.840 0.056 0.000 0.747 305 L CB -0.531 41.570 42.059 0.070 0.000 0.903 305 L HN 0.083 nan 8.230 nan 0.000 0.435 306 V N -0.456 119.511 119.914 0.088 0.000 2.392 306 V HA -0.369 3.752 4.120 0.002 0.000 0.249 306 V C 2.559 178.683 176.094 0.050 0.000 1.059 306 V CA 2.052 64.380 62.300 0.047 0.000 1.051 306 V CB -0.651 31.208 31.823 0.061 0.000 0.658 306 V HN 0.610 nan 8.190 nan 0.000 0.455 307 Q N -0.692 119.150 119.800 0.069 0.000 2.084 307 Q HA -0.247 4.094 4.340 0.002 0.000 0.202 307 Q C 2.242 178.299 176.000 0.095 0.000 0.978 307 Q CA 2.007 57.861 55.803 0.085 0.000 0.844 307 Q CB -0.188 28.594 28.738 0.074 0.000 0.898 307 Q HN 0.571 nan 8.270 nan 0.000 0.426 308 L N 0.428 121.691 121.223 0.066 0.000 2.083 308 L HA -0.081 4.260 4.340 0.002 0.000 0.209 308 L C 2.126 179.046 176.870 0.083 0.000 1.083 308 L CA 2.168 57.044 54.840 0.060 0.000 0.752 308 L CB -0.857 41.215 42.059 0.023 0.000 0.899 308 L HN 0.224 nan 8.230 nan 0.000 0.433 309 A N -0.639 122.213 122.820 0.052 0.000 1.877 309 A HA -0.236 4.085 4.320 0.002 0.000 0.216 309 A C 2.177 179.778 177.584 0.028 0.000 1.186 309 A CA 1.874 53.928 52.037 0.028 0.000 0.620 309 A CB -0.691 18.292 19.000 -0.028 0.000 0.822 309 A HN 0.605 nan 8.150 nan 0.000 0.443 310 E N -1.418 118.799 120.200 0.029 0.000 2.051 310 E HA -0.234 4.117 4.350 0.002 0.000 0.192 310 E C 2.128 178.773 176.600 0.075 0.000 0.991 310 E CA 1.179 57.602 56.400 0.038 0.000 0.799 310 E CB -0.337 29.415 29.700 0.086 0.000 0.748 310 E HN 0.771 nan 8.360 nan 0.000 0.449 311 H N 1.104 120.188 119.070 0.024 0.000 2.321 311 H HA -0.091 4.466 4.556 0.002 0.000 0.300 311 H C 1.711 177.048 175.328 0.016 0.000 1.087 311 H CA 1.347 57.410 56.048 0.025 0.000 1.319 311 H CB 0.348 30.126 29.762 0.027 0.000 1.379 311 H HN 0.098 nan 8.280 nan 0.000 0.501 312 E N 0.087 120.436 120.200 0.247 0.000 2.285 312 E HA 0.007 4.358 4.350 0.002 0.000 0.194 312 E C 1.115 177.744 176.600 0.049 0.000 0.997 312 E CA 0.762 57.259 56.400 0.161 0.000 0.845 312 E CB -0.267 29.502 29.700 0.115 0.000 0.782 312 E HN 0.676 nan 8.360 nan 0.000 0.491 313 G N 1.972 110.786 108.800 0.024 0.000 2.324 313 G HA2 -0.237 3.724 3.960 0.002 0.000 0.292 313 G HA3 -0.237 3.724 3.960 0.002 0.000 0.292 313 G C -0.053 174.815 174.900 -0.052 0.000 1.079 313 G CA 0.749 45.838 45.100 -0.018 0.000 1.026 313 G HN 0.159 nan 8.290 nan 0.000 0.506 314 T N 0.201 114.747 114.554 -0.013 0.000 2.841 314 T HA 0.541 4.892 4.350 0.002 0.000 0.283 314 T C 0.350 175.117 174.700 0.111 0.000 1.000 314 T CA -0.477 61.617 62.100 -0.009 0.000 0.977 314 T CB 1.021 69.912 68.868 0.037 0.000 0.979 314 T HN 0.245 nan 8.240 nan 0.000 0.446 315 F N 3.880 123.836 119.950 0.010 0.000 2.538 315 F HA 0.339 4.868 4.527 0.002 0.000 0.371 315 F C 0.869 176.664 175.800 -0.008 0.000 1.087 315 F CA -0.641 57.351 58.000 -0.013 0.000 1.250 315 F CB 0.369 39.385 39.000 0.028 0.000 1.110 315 F HN 0.399 nan 8.300 nan 0.000 0.570 316 I N 1.259 121.870 120.570 0.070 0.000 3.042 316 I HA 1.006 5.177 4.170 0.002 0.000 0.310 316 I C -0.926 175.060 176.117 -0.218 0.000 1.117 316 I CA -0.889 60.358 61.300 -0.088 0.000 1.003 316 I CB 2.288 40.012 38.000 -0.459 0.000 1.228 316 I HN 0.566 nan 8.210 nan 0.000 0.443 317 A N 1.908 124.629 122.820 -0.165 0.000 2.544 317 A HA 0.931 5.252 4.320 0.002 0.000 0.291 317 A C -0.316 177.366 177.584 0.163 0.000 1.055 317 A CA -0.049 51.941 52.037 -0.077 0.000 0.651 317 A CB 0.648 19.628 19.000 -0.033 0.000 1.296 317 A HN 2.351 nan 8.150 nan 0.000 0.431 318 G N -0.523 108.372 108.800 0.159 0.000 2.318 318 G HA2 0.514 4.475 3.960 0.002 0.000 0.367 318 G HA3 0.514 4.475 3.960 0.002 0.000 0.367 318 G C -1.188 173.839 174.900 0.210 0.000 1.260 318 G CA 0.887 46.123 45.100 0.228 0.000 1.055 318 G HN 2.237 nan 8.290 nan 0.000 0.484 319 D N -0.064 120.439 120.400 0.173 0.000 3.378 319 D HA 0.384 5.025 4.640 0.002 0.000 0.203 319 D C -0.497 175.855 176.300 0.087 0.000 1.141 319 D CA 1.771 55.832 54.000 0.102 0.000 0.822 319 D CB -0.852 40.008 40.800 0.100 0.000 0.626 319 D HN 1.332 nan 8.370 nan 0.000 0.307 320 D N 0.178 120.629 120.400 0.084 0.000 9.880 320 D HA -0.165 4.477 4.640 0.002 0.000 0.292 320 D C -0.439 175.917 176.300 0.094 0.000 2.792 320 D CA 0.223 54.274 54.000 0.085 0.000 2.581 320 D CB 0.164 41.006 40.800 0.069 0.000 1.070 320 D HN 0.392 nan 8.370 nan 0.000 0.795 321 L N 2.301 123.581 121.223 0.095 0.000 2.410 321 L HA 0.094 4.435 4.340 0.002 0.000 0.273 321 L C 1.178 178.099 176.870 0.086 0.000 1.152 321 L CA -0.224 54.678 54.840 0.103 0.000 0.855 321 L CB 0.371 42.484 42.059 0.090 0.000 1.129 321 L HN 0.299 nan 8.230 nan 0.000 0.463 322 K N 3.481 123.933 120.400 0.088 0.000 2.245 322 K HA 0.027 4.348 4.320 0.002 0.000 0.281 322 K C 0.243 176.862 176.600 0.031 0.000 1.079 322 K CA -0.049 56.255 56.287 0.029 0.000 1.000 322 K CB -0.022 32.450 32.500 -0.047 0.000 1.038 322 K HN 0.600 nan 8.250 nan 0.000 0.430 323 S N 2.498 118.219 115.700 0.035 0.000 2.573 323 S HA 0.115 4.587 4.470 0.002 0.000 0.277 323 S C 1.504 176.118 174.600 0.023 0.000 1.346 323 S CA -0.164 58.059 58.200 0.038 0.000 1.034 323 S CB 1.343 64.568 63.200 0.042 0.000 0.879 323 S HN 0.662 nan 8.310 nan 0.000 0.528 324 G N 0.555 109.373 108.800 0.029 0.000 2.501 324 G HA2 -0.210 3.751 3.960 0.002 0.000 0.220 324 G HA3 -0.210 3.751 3.960 0.002 0.000 0.220 324 G C 1.249 176.161 174.900 0.020 0.000 1.114 324 G CA 0.871 45.985 45.100 0.023 0.000 0.757 324 G HN 0.856 nan 8.290 nan 0.000 0.559 325 Q N -0.379 119.437 119.800 0.026 0.000 2.123 325 Q HA -0.042 4.299 4.340 0.002 0.000 0.196 325 Q C 2.237 178.265 176.000 0.045 0.000 0.958 325 Q CA 1.394 57.218 55.803 0.035 0.000 0.841 325 Q CB 0.034 28.791 28.738 0.032 0.000 0.915 325 Q HN 0.399 nan 8.270 nan 0.000 0.455 326 T N 0.726 115.301 114.554 0.035 0.000 3.067 326 T HA 0.003 4.354 4.350 0.002 0.000 0.261 326 T C 1.464 176.169 174.700 0.008 0.000 1.110 326 T CA 0.665 62.787 62.100 0.037 0.000 1.113 326 T CB 0.137 69.024 68.868 0.032 0.000 0.917 326 T HN 0.211 nan 8.240 nan 0.000 0.499 327 K N 1.104 121.492 120.400 -0.020 0.000 1.980 327 K HA 0.142 4.463 4.320 0.002 0.000 0.208 327 K C 2.197 178.775 176.600 -0.036 0.000 1.043 327 K CA 0.707 56.950 56.287 -0.074 0.000 0.938 327 K CB -0.336 32.104 32.500 -0.101 0.000 0.724 327 K HN 0.196 nan 8.250 nan 0.000 0.438 328 L N 1.566 122.786 121.223 -0.005 0.000 2.127 328 L HA -0.226 4.115 4.340 0.002 0.000 0.211 328 L C 2.462 179.357 176.870 0.042 0.000 1.089 328 L CA 1.543 56.390 54.840 0.011 0.000 0.757 328 L CB -0.232 41.843 42.059 0.026 0.000 0.899 328 L HN 0.219 nan 8.230 nan 0.000 0.434 329 K N -0.406 120.046 120.400 0.085 0.000 2.057 329 K HA -0.176 4.145 4.320 0.002 0.000 0.206 329 K C 2.207 178.873 176.600 0.112 0.000 1.050 329 K CA 1.597 57.986 56.287 0.170 0.000 0.935 329 K CB -0.099 32.509 32.500 0.180 0.000 0.715 329 K HN 0.539 nan 8.250 nan 0.000 0.439 330 S N 0.184 115.918 115.700 0.057 0.000 2.383 330 S HA -0.102 4.369 4.470 0.002 0.000 0.227 330 S C 2.063 176.682 174.600 0.032 0.000 1.026 330 S CA 1.257 59.479 58.200 0.037 0.000 0.981 330 S CB -0.603 62.597 63.200 -0.000 0.000 0.818 330 S HN 0.126 nan 8.310 nan 0.000 0.472 331 V N 1.913 121.835 119.914 0.014 0.000 2.343 331 V HA -0.091 4.030 4.120 0.002 0.000 0.247 331 V C 2.472 178.589 176.094 0.037 0.000 1.051 331 V CA 1.938 64.247 62.300 0.016 0.000 1.036 331 V CB -0.766 31.050 31.823 -0.013 0.000 0.654 331 V HN 0.522 nan 8.190 nan 0.000 0.451 332 L N -0.252 120.970 121.223 -0.003 0.000 2.179 332 L HA 0.038 4.379 4.340 0.002 0.000 0.208 332 L C 2.425 179.290 176.870 -0.009 0.000 1.096 332 L CA 1.444 56.260 54.840 -0.040 0.000 0.779 332 L CB -0.388 41.521 42.059 -0.249 0.000 0.922 332 L HN 0.264 nan 8.230 nan 0.000 0.443 333 A N -0.697 122.126 122.820 0.006 0.000 1.929 333 A HA -0.230 4.091 4.320 0.002 0.000 0.216 333 A C 2.143 179.761 177.584 0.056 0.000 1.176 333 A CA 1.522 53.590 52.037 0.053 0.000 0.628 333 A CB -0.524 18.546 19.000 0.117 0.000 0.816 333 A HN 0.520 nan 8.150 nan 0.000 0.444 334 Q N -0.659 119.182 119.800 0.068 0.000 2.002 334 Q HA -0.194 4.147 4.340 0.002 0.000 0.204 334 Q C 1.744 177.783 176.000 0.065 0.000 0.988 334 Q CA 2.309 58.150 55.803 0.063 0.000 0.843 334 Q CB -0.680 28.100 28.738 0.069 0.000 0.908 334 Q HN 0.613 nan 8.270 nan 0.000 0.420 335 F N 0.260 120.192 119.950 -0.029 0.000 2.087 335 F HA -0.257 4.272 4.527 0.002 0.000 0.299 335 F C 1.581 177.362 175.800 -0.032 0.000 1.100 335 F CA 1.821 59.800 58.000 -0.034 0.000 1.226 335 F CB -0.486 38.481 39.000 -0.055 0.000 0.983 335 F HN 0.166 nan 8.300 nan 0.000 0.479 336 L N -0.534 120.490 121.223 -0.331 0.000 2.017 336 L HA -0.217 4.124 4.340 0.002 0.000 0.208 336 L C 2.439 179.150 176.870 -0.265 0.000 1.073 336 L CA 1.223 55.818 54.840 -0.408 0.000 0.745 336 L CB -0.968 41.008 42.059 -0.138 0.000 0.894 336 L HN 0.062 nan 8.230 nan 0.000 0.432 337 V N -0.363 119.484 119.914 -0.110 0.000 2.515 337 V HA -0.253 3.868 4.120 0.002 0.000 0.250 337 V C 1.885 177.932 176.094 -0.079 0.000 1.058 337 V CA 1.681 63.957 62.300 -0.039 0.000 1.064 337 V CB -0.508 31.352 31.823 0.062 0.000 0.675 337 V HN 0.401 nan 8.190 nan 0.000 0.461 338 D N 0.462 120.798 120.400 -0.108 0.000 2.310 338 D HA -0.036 4.605 4.640 0.002 0.000 0.212 338 D C 1.840 178.055 176.300 -0.142 0.000 0.965 338 D CA 1.298 55.243 54.000 -0.092 0.000 0.879 338 D CB -0.048 40.719 40.800 -0.054 0.000 0.921 338 D HN 0.477 nan 8.370 nan 0.000 0.510 339 A N -0.752 121.917 122.820 -0.252 0.000 2.308 339 A HA 0.493 4.814 4.320 0.002 0.000 0.217 339 A C 1.663 179.139 177.584 -0.179 0.000 1.216 339 A CA 0.695 52.578 52.037 -0.257 0.000 0.864 339 A CB -0.021 18.700 19.000 -0.466 0.000 0.902 339 A HN 0.172 nan 8.150 nan 0.000 0.499 340 G N -0.584 108.129 108.800 -0.145 0.000 2.136 340 G HA2 -0.220 3.741 3.960 0.002 0.000 0.242 340 G HA3 -0.220 3.741 3.960 0.002 0.000 0.242 340 G C 0.056 174.877 174.900 -0.131 0.000 0.989 340 G CA 0.382 45.413 45.100 -0.116 0.000 0.682 340 G HN 0.461 nan 8.290 nan 0.000 0.522 341 I N 0.042 120.523 120.570 -0.148 0.000 2.428 341 I HA 0.377 4.548 4.170 0.002 0.000 0.296 341 I C 0.629 176.682 176.117 -0.106 0.000 0.985 341 I CA -0.647 60.571 61.300 -0.137 0.000 1.260 341 I CB 1.692 39.603 38.000 -0.148 0.000 1.389 341 I HN -0.000 nan 8.210 nan 0.000 0.484 342 K N 7.546 127.873 120.400 -0.122 0.000 2.354 342 K HA 0.400 4.721 4.320 0.002 0.000 0.257 342 K C -2.545 174.063 176.600 0.015 0.000 1.062 342 K CA -1.719 54.495 56.287 -0.121 0.000 0.971 342 K CB 0.894 33.222 32.500 -0.287 0.000 1.305 342 K HN 0.157 nan 8.250 nan 0.000 0.449 343 P HA -0.078 nan 4.420 nan 0.000 0.267 343 P C 0.266 177.703 177.300 0.228 0.000 1.209 343 P CA -0.158 63.054 63.100 0.186 0.000 0.763 343 P CB 0.989 32.821 31.700 0.221 0.000 0.816 344 V N 0.511 120.533 119.914 0.180 0.000 3.477 344 V HA 0.365 4.486 4.120 0.002 0.000 0.297 344 V C 0.318 176.528 176.094 0.194 0.000 1.433 344 V CA 0.146 62.566 62.300 0.199 0.000 1.052 344 V CB 0.155 32.081 31.823 0.171 0.000 0.895 344 V HN 0.505 nan 8.190 nan 0.000 0.438 345 S N 0.079 115.890 115.700 0.185 0.000 2.563 345 S HA 0.726 5.197 4.470 0.002 0.000 0.279 345 S C -1.454 173.171 174.600 0.042 0.000 1.155 345 S CA -0.478 57.801 58.200 0.133 0.000 0.928 345 S CB 1.541 64.852 63.200 0.185 0.000 1.107 345 S HN 0.339 nan 8.310 nan 0.000 0.462 346 I N 3.759 124.272 120.570 -0.094 0.000 2.517 346 I HA 0.485 4.656 4.170 0.002 0.000 0.280 346 I C 0.012 175.963 176.117 -0.277 0.000 1.061 346 I CA -0.695 60.400 61.300 -0.341 0.000 1.091 346 I CB 1.512 39.141 38.000 -0.619 0.000 1.205 346 I HN 0.740 nan 8.210 nan 0.000 0.459 347 A N 4.259 126.921 122.820 -0.262 0.000 2.260 347 A HA 0.745 5.066 4.320 0.002 0.000 0.308 347 A C -0.156 177.147 177.584 -0.469 0.000 1.254 347 A CA -0.259 51.583 52.037 -0.327 0.000 0.874 347 A CB 0.584 19.459 19.000 -0.208 0.000 1.153 347 A HN 0.571 nan 8.150 nan 0.000 0.527 348 S N 1.965 117.352 115.700 -0.522 0.000 2.733 348 S HA 0.570 5.041 4.470 0.002 0.000 0.307 348 S C -1.217 173.136 174.600 -0.410 0.000 1.127 348 S CA -0.212 57.777 58.200 -0.353 0.000 1.097 348 S CB 0.150 63.294 63.200 -0.094 0.000 1.003 348 S HN 0.550 nan 8.310 nan 0.000 0.477 349 Y N 2.407 122.734 120.300 0.044 0.000 2.567 349 Y HA 0.696 5.247 4.550 0.001 0.000 0.333 349 Y C 0.684 176.613 175.900 0.048 0.000 1.106 349 Y CA -1.004 57.130 58.100 0.057 0.000 1.157 349 Y CB 1.259 39.752 38.460 0.056 0.000 1.277 349 Y HN 0.691 nan 8.280 nan 0.000 0.490 350 N N 0.091 118.940 118.700 0.248 0.000 3.340 350 N HA 0.126 4.867 4.740 0.002 0.000 0.234 350 N C -2.239 173.368 175.510 0.161 0.000 1.196 350 N CA -0.786 52.336 53.050 0.119 0.000 0.958 350 N CB 1.731 40.252 38.487 0.055 0.000 1.608 350 N HN 0.877 nan 8.380 nan 0.000 0.515 351 H N 0.136 119.232 119.070 0.044 0.000 2.894 351 H HA 0.718 5.275 4.556 0.002 0.000 0.367 351 H C -0.986 174.353 175.328 0.019 0.000 1.144 351 H CA -0.824 55.244 56.048 0.033 0.000 1.180 351 H CB 2.359 32.122 29.762 0.002 0.000 1.758 351 H HN 0.734 nan 8.280 nan 0.000 0.541 352 L N -0.856 120.433 121.223 0.111 0.000 2.359 352 L HA 0.831 5.172 4.340 0.002 0.000 0.256 352 L C -0.067 176.822 176.870 0.033 0.000 1.026 352 L CA -1.007 53.867 54.840 0.056 0.000 0.828 352 L CB 2.406 44.513 42.059 0.079 0.000 1.406 352 L HN 0.762 nan 8.230 nan 0.000 0.413 353 G N 0.141 108.933 108.800 -0.013 0.000 3.651 353 G HA2 0.152 4.113 3.960 0.002 0.000 0.279 353 G HA3 0.152 4.113 3.960 0.002 0.000 0.279 353 G C -0.010 174.964 174.900 0.124 0.000 1.024 353 G CA -0.217 44.802 45.100 -0.136 0.000 0.813 353 G HN 0.738 nan 8.290 nan 0.000 0.518 354 N N -0.205 118.613 118.700 0.197 0.000 2.495 354 N HA 0.119 4.860 4.740 0.002 0.000 0.294 354 N C 0.922 176.585 175.510 0.255 0.000 1.276 354 N CA -0.911 52.244 53.050 0.175 0.000 0.973 354 N CB 0.230 38.777 38.487 0.101 0.000 1.143 354 N HN -0.115 nan 8.380 nan 0.000 0.589 355 N N -1.022 117.768 118.700 0.151 0.000 2.381 355 N HA -0.158 4.583 4.740 0.002 0.000 0.182 355 N C 0.802 176.407 175.510 0.159 0.000 1.025 355 N CA 0.750 53.895 53.050 0.158 0.000 0.888 355 N CB -0.274 38.264 38.487 0.086 0.000 0.965 355 N HN 0.607 nan 8.380 nan 0.000 0.438 356 D N -0.645 119.837 120.400 0.137 0.000 2.084 356 D HA -0.064 4.577 4.640 0.002 0.000 0.194 356 D C 1.802 178.199 176.300 0.161 0.000 0.990 356 D CA 1.626 55.701 54.000 0.125 0.000 0.826 356 D CB -0.818 40.047 40.800 0.108 0.000 0.971 356 D HN 0.338 nan 8.370 nan 0.000 0.453 357 G N -1.759 107.181 108.800 0.232 0.000 2.598 357 G HA2 -0.230 3.731 3.960 0.002 0.000 0.215 357 G HA3 -0.230 3.731 3.960 0.002 0.000 0.215 357 G C 1.392 176.448 174.900 0.261 0.000 1.131 357 G CA 0.447 45.726 45.100 0.298 0.000 0.785 357 G HN 0.316 nan 8.290 nan 0.000 0.539 358 Y N 1.239 121.487 120.300 -0.088 0.000 2.314 358 Y HA 0.057 4.608 4.550 0.002 0.000 0.294 358 Y C 2.348 178.093 175.900 -0.259 0.000 1.119 358 Y CA 1.047 58.797 58.100 -0.584 0.000 1.179 358 Y CB -0.086 38.018 38.460 -0.594 0.000 1.025 358 Y HN 0.275 nan 8.280 nan 0.000 0.541 359 N N 0.300 118.931 118.700 -0.116 0.000 2.300 359 N HA -0.093 4.648 4.740 0.002 0.000 0.179 359 N C 1.514 176.997 175.510 -0.045 0.000 1.016 359 N CA 0.931 53.910 53.050 -0.118 0.000 0.876 359 N CB -0.113 38.375 38.487 0.002 0.000 0.979 359 N HN 0.458 nan 8.380 nan 0.000 0.432 360 L N 1.121 122.364 121.223 0.033 0.000 2.478 360 L HA -0.005 4.336 4.340 0.002 0.000 0.223 360 L C 2.319 179.239 176.870 0.084 0.000 1.140 360 L CA 0.615 55.527 54.840 0.120 0.000 0.842 360 L CB -0.342 41.836 42.059 0.198 0.000 0.953 360 L HN 0.188 nan 8.230 nan 0.000 0.452 361 S N 0.144 115.829 115.700 -0.025 0.000 2.500 361 S HA -0.017 4.454 4.470 0.002 0.000 0.239 361 S C 1.062 175.624 174.600 -0.064 0.000 0.989 361 S CA 0.362 58.529 58.200 -0.056 0.000 0.951 361 S CB -0.375 62.738 63.200 -0.145 0.000 0.759 361 S HN 0.270 nan 8.310 nan 0.000 0.523 362 A N 2.725 125.515 122.820 -0.049 0.000 2.309 362 A HA 0.612 4.933 4.320 0.002 0.000 0.298 362 A C -0.764 176.857 177.584 0.062 0.000 1.165 362 A CA -1.984 50.041 52.037 -0.021 0.000 0.821 362 A CB 0.719 19.697 19.000 -0.037 0.000 1.102 362 A HN 0.263 nan 8.150 nan 0.000 0.500 363 P HA -0.197 nan 4.420 nan 0.000 0.217 363 P C 0.909 178.289 177.300 0.134 0.000 1.148 363 P CA 1.407 64.581 63.100 0.123 0.000 0.828 363 P CB 0.257 31.997 31.700 0.068 0.000 0.783 364 K N -0.903 119.547 120.400 0.083 0.000 2.228 364 K HA -0.063 4.258 4.320 0.002 0.000 0.202 364 K C 2.300 178.954 176.600 0.090 0.000 1.051 364 K CA 0.937 57.265 56.287 0.068 0.000 0.960 364 K CB -0.006 32.526 32.500 0.053 0.000 0.743 364 K HN 0.041 nan 8.250 nan 0.000 0.458 365 Q N -0.163 119.704 119.800 0.112 0.000 2.062 365 Q HA -0.053 4.288 4.340 0.002 0.000 0.196 365 Q C 1.652 177.733 176.000 0.134 0.000 0.967 365 Q CA 1.045 56.923 55.803 0.125 0.000 0.832 365 Q CB -0.327 28.480 28.738 0.114 0.000 0.899 365 Q HN 0.241 nan 8.270 nan 0.000 0.442 366 F N 1.204 121.171 119.950 0.028 0.000 2.269 366 F HA -0.146 4.381 4.527 0.001 0.000 0.301 366 F C 2.087 177.890 175.800 0.004 0.000 1.082 366 F CA 1.073 59.087 58.000 0.023 0.000 1.360 366 F CB 0.053 39.063 39.000 0.016 0.000 1.041 366 F HN -0.058 nan 8.300 nan 0.000 0.512 367 R N 0.801 121.213 120.500 -0.147 0.000 2.083 367 R HA -0.136 4.205 4.340 0.002 0.000 0.237 367 R C 2.254 178.355 176.300 -0.333 0.000 1.137 367 R CA 2.142 58.076 56.100 -0.277 0.000 0.951 367 R CB -1.175 29.043 30.300 -0.136 0.000 0.851 367 R HN 0.303 nan 8.270 nan 0.000 0.434 368 S N 0.522 116.134 115.700 -0.148 0.000 2.359 368 S HA -0.163 4.308 4.470 0.002 0.000 0.224 368 S C 1.745 176.326 174.600 -0.032 0.000 1.035 368 S CA 1.666 59.898 58.200 0.053 0.000 1.018 368 S CB -0.382 62.995 63.200 0.295 0.000 0.876 368 S HN 0.260 nan 8.310 nan 0.000 0.448 369 K N 1.784 122.109 120.400 -0.125 0.000 2.009 369 K HA -0.076 4.245 4.320 0.002 0.000 0.210 369 K C 2.031 178.460 176.600 -0.286 0.000 1.049 369 K CA 1.671 57.866 56.287 -0.153 0.000 0.929 369 K CB -0.463 31.965 32.500 -0.120 0.000 0.714 369 K HN 0.412 nan 8.250 nan 0.000 0.440 370 E N -0.294 119.546 120.200 -0.601 0.000 2.333 370 E HA -0.157 4.194 4.350 0.002 0.000 0.198 370 E C 1.417 177.818 176.600 -0.330 0.000 1.007 370 E CA 0.739 56.792 56.400 -0.579 0.000 0.845 370 E CB 0.093 29.259 29.700 -0.890 0.000 0.766 370 E HN 0.266 nan 8.360 nan 0.000 0.507 371 I N 0.654 121.067 120.570 -0.261 0.000 2.400 371 I HA -0.157 4.014 4.170 0.002 0.000 0.248 371 I C 2.547 178.615 176.117 -0.082 0.000 1.109 371 I CA 1.052 62.251 61.300 -0.170 0.000 1.425 371 I CB -1.099 36.799 38.000 -0.170 0.000 1.094 371 I HN 0.134 nan 8.210 nan 0.000 0.425 372 S N 0.584 116.257 115.700 -0.044 0.000 2.425 372 S HA -0.046 4.425 4.470 0.002 0.000 0.225 372 S C 1.809 176.399 174.600 -0.018 0.000 1.024 372 S CA 0.392 58.590 58.200 -0.003 0.000 0.951 372 S CB -0.336 62.884 63.200 0.033 0.000 0.796 372 S HN 0.337 nan 8.310 nan 0.000 0.498 373 K N 1.106 121.477 120.400 -0.050 0.000 2.504 373 K HA 0.205 4.526 4.320 0.002 0.000 0.195 373 K C 1.619 178.198 176.600 -0.034 0.000 1.036 373 K CA 0.784 57.054 56.287 -0.027 0.000 0.984 373 K CB 0.004 32.484 32.500 -0.033 0.000 0.788 373 K HN 0.350 nan 8.250 nan 0.000 0.488 374 S N 0.049 115.685 115.700 -0.106 0.000 2.541 374 S HA -0.082 4.389 4.470 0.002 0.000 0.219 374 S C 1.877 176.471 174.600 -0.010 0.000 1.025 374 S CA 0.661 58.760 58.200 -0.169 0.000 0.917 374 S CB 0.024 63.035 63.200 -0.315 0.000 0.859 374 S HN 0.388 nan 8.310 nan 0.000 0.584 375 S N 2.042 117.724 115.700 -0.029 0.000 2.448 375 S HA -0.143 4.328 4.470 0.002 0.000 0.247 375 S C 1.685 176.301 174.600 0.027 0.000 1.033 375 S CA 1.183 59.383 58.200 -0.002 0.000 1.003 375 S CB -1.061 62.136 63.200 -0.006 0.000 0.786 375 S HN 0.238 nan 8.310 nan 0.000 0.495 376 V N 2.046 121.985 119.914 0.043 0.000 3.099 376 V HA -0.058 4.063 4.120 0.002 0.000 0.269 376 V C 1.664 177.789 176.094 0.053 0.000 1.150 376 V CA 1.877 64.205 62.300 0.048 0.000 1.165 376 V CB -0.737 31.118 31.823 0.053 0.000 0.756 376 V HN 0.844 nan 8.190 nan 0.000 0.527 377 I N -5.158 115.450 120.570 0.063 0.000 4.240 377 I HA 0.255 4.426 4.170 0.002 0.000 0.331 377 I C 1.301 177.416 176.117 -0.003 0.000 1.381 377 I CA 0.113 61.435 61.300 0.038 0.000 1.136 377 I CB -0.068 37.959 38.000 0.044 0.000 1.137 377 I HN -0.011 nan 8.210 nan 0.000 0.411 378 D N 3.028 123.430 120.400 0.002 0.000 2.144 378 D HA -0.188 4.453 4.640 0.002 0.000 0.200 378 D C 1.497 177.786 176.300 -0.018 0.000 0.978 378 D CA 1.904 55.891 54.000 -0.022 0.000 0.833 378 D CB -0.048 40.744 40.800 -0.014 0.000 0.961 378 D HN 0.655 nan 8.370 nan 0.000 0.470 379 D N 0.901 121.307 120.400 0.011 0.000 2.183 379 D HA -0.129 4.512 4.640 0.002 0.000 0.203 379 D C 2.084 178.394 176.300 0.015 0.000 0.969 379 D CA 0.224 54.244 54.000 0.033 0.000 0.842 379 D CB -0.408 40.424 40.800 0.054 0.000 0.957 379 D HN 0.153 nan 8.370 nan 0.000 0.484 380 I N 1.163 121.732 120.570 -0.001 0.000 2.179 380 I HA -0.186 3.985 4.170 0.002 0.000 0.242 380 I C 2.651 178.750 176.117 -0.031 0.000 1.088 380 I CA 0.687 61.987 61.300 0.000 0.000 1.357 380 I CB -0.800 37.202 38.000 0.004 0.000 1.051 380 I HN 0.045 nan 8.210 nan 0.000 0.409 381 I N 1.096 121.574 120.570 -0.153 0.000 2.226 381 I HA -0.239 3.932 4.170 0.002 0.000 0.245 381 I C 2.702 178.762 176.117 -0.095 0.000 1.100 381 I CA 1.321 62.403 61.300 -0.364 0.000 1.374 381 I CB -0.485 37.181 38.000 -0.557 0.000 1.057 381 I HN 0.113 nan 8.210 nan 0.000 0.413 382 A N 0.680 123.480 122.820 -0.034 0.000 2.019 382 A HA -0.189 4.132 4.320 0.002 0.000 0.219 382 A C 2.439 180.060 177.584 0.062 0.000 1.164 382 A CA 1.912 53.969 52.037 0.033 0.000 0.644 382 A CB -0.673 18.358 19.000 0.050 0.000 0.805 382 A HN 0.540 nan 8.150 nan 0.000 0.449 383 S N -0.795 114.940 115.700 0.058 0.000 2.489 383 S HA 0.004 4.475 4.470 0.002 0.000 0.228 383 S C 0.665 175.310 174.600 0.075 0.000 0.995 383 S CA 0.542 58.778 58.200 0.058 0.000 0.934 383 S CB -0.194 63.032 63.200 0.044 0.000 0.771 383 S HN 0.428 nan 8.310 nan 0.000 0.522 384 N N 1.951 120.726 118.700 0.125 0.000 2.623 384 N HA 0.189 4.931 4.740 0.002 0.000 0.256 384 N C -1.006 174.609 175.510 0.175 0.000 1.045 384 N CA -0.127 53.006 53.050 0.138 0.000 0.863 384 N CB 1.634 40.214 38.487 0.154 0.000 1.182 384 N HN 0.367 nan 8.380 nan 0.000 0.523 385 D N 2.779 123.249 120.400 0.118 0.000 2.328 385 D HA 0.054 4.695 4.640 0.002 0.000 0.221 385 D C 1.481 177.816 176.300 0.058 0.000 1.072 385 D CA 0.040 54.106 54.000 0.111 0.000 0.850 385 D CB 0.253 41.112 40.800 0.099 0.000 0.922 385 D HN 0.483 nan 8.370 nan 0.000 0.516 386 I N -0.136 120.452 120.570 0.029 0.000 2.333 386 I HA -0.126 4.046 4.170 0.002 0.000 0.246 386 I C 2.204 178.278 176.117 -0.071 0.000 1.106 386 I CA 0.649 61.941 61.300 -0.012 0.000 1.411 386 I CB 0.038 38.026 38.000 -0.019 0.000 1.082 386 I HN 0.007 nan 8.210 nan 0.000 0.420 387 L N -0.801 120.344 121.223 -0.130 0.000 2.084 387 L HA -0.037 4.304 4.340 0.002 0.000 0.202 387 L C 0.256 176.857 176.870 -0.448 0.000 1.074 387 L CA 0.708 55.337 54.840 -0.352 0.000 0.757 387 L CB -0.397 41.340 42.059 -0.538 0.000 0.918 387 L HN 0.090 nan 8.230 nan 0.000 0.444 388 Y N 1.716 122.022 120.300 0.009 0.000 2.454 388 Y HA 0.289 4.840 4.550 0.001 0.000 0.345 388 Y C -0.064 175.848 175.900 0.020 0.000 0.970 388 Y CA -0.983 57.127 58.100 0.017 0.000 1.204 388 Y CB 0.231 38.704 38.460 0.022 0.000 1.122 388 Y HN 0.266 nan 8.280 nan 0.000 0.514 389 N N -1.041 117.730 118.700 0.117 0.000 3.243 389 N HA 0.254 4.995 4.740 0.002 0.000 0.280 389 N C -0.431 175.118 175.510 0.065 0.000 1.545 389 N CA -0.838 52.261 53.050 0.082 0.000 0.854 389 N CB 0.594 39.110 38.487 0.047 0.000 1.612 389 N HN 0.089 nan 8.380 nan 0.000 0.577 390 D N -0.291 120.138 120.400 0.049 0.000 2.219 390 D HA -0.047 4.594 4.640 0.002 0.000 0.205 390 D C 0.966 177.284 176.300 0.030 0.000 0.970 390 D CA 1.254 55.278 54.000 0.040 0.000 0.851 390 D CB 0.103 40.922 40.800 0.031 0.000 0.943 390 D HN 0.463 nan 8.370 nan 0.000 0.488 391 K N 0.056 120.469 120.400 0.022 0.000 1.991 391 K HA 0.066 4.387 4.320 0.002 0.000 0.207 391 K C 2.116 178.723 176.600 0.010 0.000 1.045 391 K CA 0.637 56.932 56.287 0.013 0.000 0.937 391 K CB -0.106 32.397 32.500 0.005 0.000 0.720 391 K HN 0.144 nan 8.250 nan 0.000 0.438 392 L N 0.003 121.227 121.223 0.001 0.000 2.418 392 L HA 0.128 4.469 4.340 0.002 0.000 0.218 392 L C 0.748 177.625 176.870 0.012 0.000 1.125 392 L CA 0.160 54.993 54.840 -0.012 0.000 0.835 392 L CB -0.441 41.585 42.059 -0.055 0.000 0.953 392 L HN 0.356 nan 8.230 nan 0.000 0.454 393 G N 1.632 110.457 108.800 0.041 0.000 2.784 393 G HA2 -0.154 3.807 3.960 0.002 0.000 0.686 393 G HA3 -0.154 3.807 3.960 0.002 0.000 0.686 393 G C -0.060 174.932 174.900 0.153 0.000 1.156 393 G CA -0.208 44.941 45.100 0.082 0.000 0.757 393 G HN 0.387 nan 8.290 nan 0.000 0.642 394 K N 0.274 120.787 120.400 0.188 0.000 2.564 394 K HA 0.378 4.699 4.320 0.002 0.000 0.205 394 K C 0.541 177.262 176.600 0.202 0.000 1.053 394 K CA -0.495 55.974 56.287 0.302 0.000 1.072 394 K CB 1.191 33.810 32.500 0.198 0.000 0.822 394 K HN 0.504 nan 8.250 nan 0.000 0.497 395 K N 1.206 121.717 120.400 0.184 0.000 2.095 395 K HA 0.395 4.716 4.320 0.002 0.000 0.252 395 K C -1.161 175.522 176.600 0.140 0.000 0.977 395 K CA -0.747 55.603 56.287 0.105 0.000 0.900 395 K CB 1.698 34.251 32.500 0.087 0.000 1.060 395 K HN -0.035 nan 8.250 nan 0.000 0.449 396 V N 3.231 123.190 119.914 0.076 0.000 2.498 396 V HA 0.081 4.202 4.120 0.002 0.000 0.283 396 V C -1.438 174.711 176.094 0.091 0.000 1.015 396 V CA -1.032 61.325 62.300 0.096 0.000 0.867 396 V CB 1.322 33.162 31.823 0.029 0.000 1.025 396 V HN 0.862 nan 8.190 nan 0.000 0.441 397 D N 3.129 123.589 120.400 0.101 0.000 2.531 397 D HA 0.127 4.768 4.640 0.002 0.000 0.239 397 D C -0.004 176.369 176.300 0.123 0.000 1.144 397 D CA 1.138 55.196 54.000 0.096 0.000 0.869 397 D CB 0.101 40.952 40.800 0.086 0.000 1.160 397 D HN 0.728 nan 8.370 nan 0.000 0.484 398 H N 1.522 120.581 119.070 -0.018 0.000 3.181 398 H HA 0.406 4.963 4.556 0.002 0.000 0.331 398 H C -1.069 174.225 175.328 -0.057 0.000 0.988 398 H CA -1.022 54.995 56.048 -0.052 0.000 1.449 398 H CB 0.456 30.188 29.762 -0.050 0.000 1.749 398 H HN 0.611 nan 8.280 nan 0.000 0.501 399 C N 5.105 124.471 119.300 0.111 0.000 2.493 399 C HA 0.763 5.224 4.460 0.002 0.000 0.326 399 C C -0.263 174.685 174.990 -0.070 0.000 1.200 399 C CA -0.810 58.194 59.018 -0.024 0.000 1.739 399 C CB 0.241 27.978 27.740 -0.005 0.000 2.300 399 C HN 0.694 nan 8.230 nan 0.000 0.500 400 I N 2.709 123.250 120.570 -0.049 0.000 2.466 400 I HA 0.560 4.731 4.170 0.002 0.000 0.289 400 I C -0.762 175.483 176.117 0.213 0.000 1.026 400 I CA -0.526 60.785 61.300 0.020 0.000 1.078 400 I CB 2.030 40.021 38.000 -0.015 0.000 1.249 400 I HN 0.551 nan 8.210 nan 0.000 0.429 401 V N 7.466 127.471 119.914 0.151 0.000 2.531 401 V HA 0.488 4.609 4.120 0.002 0.000 0.301 401 V C -0.270 175.914 176.094 0.151 0.000 1.034 401 V CA -0.390 62.000 62.300 0.151 0.000 0.865 401 V CB 2.275 34.272 31.823 0.289 0.000 0.995 401 V HN 0.470 nan 8.190 nan 0.000 0.424 402 I N 5.869 126.441 120.570 0.004 0.000 2.420 402 I HA 0.466 4.638 4.170 0.002 0.000 0.282 402 I C -0.420 175.697 176.117 -0.001 0.000 1.019 402 I CA -0.689 60.663 61.300 0.086 0.000 1.130 402 I CB 1.360 39.513 38.000 0.255 0.000 1.262 402 I HN 0.373 nan 8.210 nan 0.000 0.454 403 K N 5.142 125.598 120.400 0.093 0.000 2.164 403 K HA 0.354 4.676 4.320 0.002 0.000 0.258 403 K C -0.959 175.752 176.600 0.186 0.000 0.951 403 K CA -0.874 55.468 56.287 0.093 0.000 0.844 403 K CB 2.296 34.825 32.500 0.048 0.000 1.099 403 K HN 0.375 nan 8.250 nan 0.000 0.435 404 Y N 3.329 123.669 120.300 0.067 0.000 2.383 404 Y HA 0.241 4.792 4.550 0.002 0.000 0.344 404 Y C -0.632 175.316 175.900 0.081 0.000 0.986 404 Y CA -0.399 57.764 58.100 0.105 0.000 1.175 404 Y CB 0.720 39.266 38.460 0.144 0.000 1.152 404 Y HN 0.347 nan 8.280 nan 0.000 0.511 405 M N 7.685 127.011 119.600 -0.458 0.000 1.980 405 M HA 0.177 4.658 4.480 0.002 0.000 0.282 405 M C 0.869 176.848 176.300 -0.535 0.000 0.878 405 M CA -0.452 54.607 55.300 -0.401 0.000 0.900 405 M CB 1.568 34.072 32.600 -0.159 0.000 1.577 405 M HN 0.809 nan 8.290 nan 0.000 0.396 406 K N 2.709 122.646 120.400 -0.772 0.000 2.077 406 K HA -0.150 4.171 4.320 0.002 0.000 0.213 406 K C -1.003 175.472 176.600 -0.209 0.000 1.051 406 K CA 1.963 57.960 56.287 -0.483 0.000 0.929 406 K CB -0.394 31.953 32.500 -0.255 0.000 0.715 406 K HN 0.307 nan 8.250 nan 0.000 0.451 407 P HA -0.134 nan 4.420 nan 0.000 0.227 407 P C 0.754 178.025 177.300 -0.047 0.000 1.145 407 P CA 1.030 64.083 63.100 -0.079 0.000 0.769 407 P CB 0.011 31.672 31.700 -0.066 0.000 0.769 408 V N -5.936 113.949 119.914 -0.048 0.000 3.621 408 V HA 0.455 4.576 4.120 0.002 0.000 0.285 408 V C 1.147 177.231 176.094 -0.017 0.000 1.346 408 V CA 0.359 62.654 62.300 -0.008 0.000 1.104 408 V CB -0.865 30.981 31.823 0.038 0.000 0.913 408 V HN 0.276 nan 8.190 nan 0.000 0.432 409 G N 1.510 110.291 108.800 -0.031 0.000 2.581 409 G HA2 -0.478 3.483 3.960 0.002 0.000 0.291 409 G HA3 -0.478 3.483 3.960 0.002 0.000 0.291 409 G C 0.468 175.369 174.900 0.002 0.000 1.277 409 G CA 0.936 46.027 45.100 -0.014 0.000 0.959 409 G HN 0.626 nan 8.290 nan 0.000 0.554 410 D N 0.245 120.649 120.400 0.006 0.000 2.263 410 D HA 0.026 4.667 4.640 0.002 0.000 0.208 410 D C 1.826 178.131 176.300 0.008 0.000 0.971 410 D CA 1.555 55.563 54.000 0.014 0.000 0.867 410 D CB -0.236 40.568 40.800 0.006 0.000 0.929 410 D HN 0.700 nan 8.370 nan 0.000 0.492 411 S N 0.442 116.141 115.700 -0.001 0.000 2.509 411 S HA -0.007 4.464 4.470 0.002 0.000 0.287 411 S C 0.011 174.589 174.600 -0.036 0.000 1.248 411 S CA -0.504 57.689 58.200 -0.011 0.000 1.089 411 S CB 0.216 63.412 63.200 -0.006 0.000 0.900 411 S HN 0.075 nan 8.310 nan 0.000 0.496 412 K N 4.298 124.669 120.400 -0.047 0.000 2.130 412 K HA 0.429 4.750 4.320 0.002 0.000 0.268 412 K C -1.326 175.173 176.600 -0.168 0.000 0.983 412 K CA -0.633 55.597 56.287 -0.095 0.000 0.893 412 K CB 1.501 33.974 32.500 -0.044 0.000 1.066 412 K HN 0.505 nan 8.250 nan 0.000 0.450 413 V N 3.304 123.019 119.914 -0.332 0.000 2.326 413 V HA 0.386 4.507 4.120 0.002 0.000 0.281 413 V C -0.265 175.620 176.094 -0.349 0.000 1.015 413 V CA -0.929 61.131 62.300 -0.401 0.000 0.823 413 V CB 0.989 32.461 31.823 -0.585 0.000 1.009 413 V HN 0.827 nan 8.190 nan 0.000 0.436 414 A N 6.872 129.539 122.820 -0.256 0.000 2.305 414 A HA 0.967 5.288 4.320 0.002 0.000 0.322 414 A C -0.463 177.020 177.584 -0.169 0.000 1.187 414 A CA -0.508 51.444 52.037 -0.142 0.000 0.825 414 A CB 0.877 19.836 19.000 -0.068 0.000 1.164 414 A HN 0.796 nan 8.150 nan 0.000 0.498 415 M N 2.175 121.760 119.600 -0.026 0.000 2.267 415 M HA 0.379 4.860 4.480 0.002 0.000 0.289 415 M C -1.833 174.524 176.300 0.095 0.000 1.043 415 M CA -0.328 55.006 55.300 0.057 0.000 0.928 415 M CB 2.408 35.099 32.600 0.152 0.000 1.613 415 M HN 0.606 nan 8.290 nan 0.000 0.450 416 D N 2.137 122.585 120.400 0.080 0.000 2.629 416 D HA 0.367 5.008 4.640 0.002 0.000 0.250 416 D C -0.986 175.313 176.300 -0.002 0.000 1.126 416 D CA -0.406 53.574 54.000 -0.033 0.000 0.852 416 D CB 1.887 42.655 40.800 -0.054 0.000 1.335 416 D HN 0.323 nan 8.370 nan 0.000 0.518 417 E N 1.850 121.986 120.200 -0.106 0.000 2.129 417 E HA 0.235 4.586 4.350 0.002 0.000 0.268 417 E C -0.927 175.611 176.600 -0.104 0.000 0.900 417 E CA -0.600 55.807 56.400 0.012 0.000 0.755 417 E CB 1.210 30.953 29.700 0.072 0.000 1.117 417 E HN 0.414 nan 8.360 nan 0.000 0.410 418 Y N 2.058 122.421 120.300 0.104 0.000 2.342 418 Y HA 0.224 4.776 4.550 0.002 0.000 0.338 418 Y C -0.332 175.688 175.900 0.201 0.000 0.965 418 Y CA -0.884 57.283 58.100 0.112 0.000 1.159 418 Y CB 0.876 39.386 38.460 0.083 0.000 1.157 418 Y HN 0.397 nan 8.280 nan 0.000 0.486 419 Y N 2.623 123.024 120.300 0.168 0.000 2.334 419 Y HA 0.635 5.186 4.550 0.001 0.000 0.336 419 Y C -0.555 175.446 175.900 0.169 0.000 0.960 419 Y CA -0.881 57.307 58.100 0.147 0.000 1.164 419 Y CB 1.011 39.525 38.460 0.090 0.000 1.155 419 Y HN 0.575 nan 8.280 nan 0.000 0.478 420 S N 4.178 119.812 115.700 -0.109 0.000 2.599 420 S HA 0.492 4.964 4.470 0.002 0.000 0.294 420 S C -1.169 173.294 174.600 -0.229 0.000 1.094 420 S CA -1.134 57.004 58.200 -0.103 0.000 0.931 420 S CB 1.698 64.887 63.200 -0.018 0.000 1.093 420 S HN 0.619 nan 8.310 nan 0.000 0.488 421 E N 1.030 121.112 120.200 -0.197 0.000 2.231 421 E HA 0.522 4.873 4.350 0.002 0.000 0.277 421 E C -0.809 175.640 176.600 -0.253 0.000 0.999 421 E CA -0.421 55.788 56.400 -0.318 0.000 0.827 421 E CB 1.041 30.583 29.700 -0.264 0.000 1.101 421 E HN 0.347 nan 8.360 nan 0.000 0.393 422 L N 1.913 122.964 121.223 -0.287 0.000 2.260 422 L HA 0.497 4.838 4.340 0.002 0.000 0.265 422 L C 0.433 177.195 176.870 -0.180 0.000 1.015 422 L CA -1.409 53.319 54.840 -0.187 0.000 0.826 422 L CB 0.983 42.957 42.059 -0.143 0.000 1.373 422 L HN 0.547 nan 8.230 nan 0.000 0.450 423 M N 0.024 119.548 119.600 -0.126 0.000 2.240 423 M HA 0.250 4.731 4.480 0.002 0.000 0.317 423 M C 0.192 176.431 176.300 -0.102 0.000 1.087 423 M CA -0.004 55.233 55.300 -0.105 0.000 1.176 423 M CB 0.059 32.614 32.600 -0.075 0.000 1.439 423 M HN 0.442 nan 8.290 nan 0.000 0.452 424 L N 1.480 122.653 121.223 -0.083 0.000 3.742 424 L HA -0.286 4.055 4.340 0.002 0.000 0.431 424 L C 0.975 177.803 176.870 -0.071 0.000 1.220 424 L CA 0.767 55.569 54.840 -0.064 0.000 0.863 424 L CB -2.730 39.304 42.059 -0.043 0.000 1.751 424 L HN 1.332 nan 8.230 nan 0.000 0.922 425 G N -1.976 106.756 108.800 -0.112 0.000 2.179 425 G HA2 -0.189 3.772 3.960 0.002 0.000 0.260 425 G HA3 -0.189 3.772 3.960 0.002 0.000 0.260 425 G C 0.589 175.377 174.900 -0.186 0.000 0.977 425 G CA 0.141 45.169 45.100 -0.119 0.000 0.641 425 G HN 1.089 nan 8.290 nan 0.000 0.533 426 G N -1.030 107.646 108.800 -0.206 0.000 2.599 426 G HA2 0.613 4.574 3.960 0.002 0.000 0.264 426 G HA3 0.613 4.574 3.960 0.002 0.000 0.264 426 G C -0.515 174.128 174.900 -0.428 0.000 1.200 426 G CA -0.126 44.873 45.100 -0.169 0.000 0.896 426 G HN 0.591 nan 8.290 nan 0.000 0.536 427 H N -1.450 117.574 119.070 -0.078 0.000 2.980 427 H HA 0.431 4.988 4.556 0.001 0.000 0.367 427 H C -0.415 174.851 175.328 -0.105 0.000 1.206 427 H CA -0.716 55.219 56.048 -0.189 0.000 1.126 427 H CB 2.027 31.610 29.762 -0.297 0.000 1.838 427 H HN 0.545 nan 8.280 nan 0.000 0.552 428 N N 1.010 119.704 118.700 -0.010 0.000 2.284 428 N HA 0.348 5.089 4.740 0.002 0.000 0.300 428 N C -1.250 174.348 175.510 0.146 0.000 1.047 428 N CA -0.617 52.468 53.050 0.059 0.000 0.821 428 N CB 1.678 40.181 38.487 0.027 0.000 1.337 428 N HN 0.459 nan 8.380 nan 0.000 0.482 429 R N 5.100 125.724 120.500 0.207 0.000 2.435 429 R HA 0.429 4.770 4.340 0.002 0.000 0.308 429 R C -1.200 175.226 176.300 0.210 0.000 0.975 429 R CA -0.442 55.825 56.100 0.279 0.000 0.867 429 R CB 0.650 31.125 30.300 0.291 0.000 1.171 429 R HN 0.551 nan 8.270 nan 0.000 0.470 430 I N 2.719 123.434 120.570 0.241 0.000 2.404 430 I HA 0.296 4.467 4.170 0.002 0.000 0.293 430 I C -0.359 175.927 176.117 0.281 0.000 0.992 430 I CA -0.662 60.764 61.300 0.211 0.000 1.149 430 I CB 2.256 40.343 38.000 0.146 0.000 1.315 430 I HN 0.501 nan 8.210 nan 0.000 0.446 431 S N 7.088 122.915 115.700 0.212 0.000 2.498 431 S HA 0.607 5.078 4.470 0.002 0.000 0.317 431 S C -0.361 174.361 174.600 0.203 0.000 1.090 431 S CA -0.521 57.806 58.200 0.213 0.000 1.089 431 S CB 1.213 64.512 63.200 0.165 0.000 0.997 431 S HN 0.356 nan 8.310 nan 0.000 0.470 432 I N 3.892 124.602 120.570 0.234 0.000 2.355 432 I HA 0.287 4.458 4.170 0.002 0.000 0.288 432 I C -0.076 176.155 176.117 0.190 0.000 0.999 432 I CA -0.472 60.947 61.300 0.198 0.000 1.163 432 I CB 0.836 38.964 38.000 0.213 0.000 1.316 432 I HN 0.598 nan 8.210 nan 0.000 0.454 433 H N 7.216 126.335 119.070 0.082 0.000 2.504 433 H HA 0.404 4.961 4.556 0.003 0.000 0.322 433 H C -1.403 173.955 175.328 0.050 0.000 1.055 433 H CA -0.393 55.695 56.048 0.067 0.000 1.231 433 H CB 1.574 31.372 29.762 0.059 0.000 1.417 433 H HN 0.505 nan 8.280 nan 0.000 0.472 434 N N 4.356 122.975 118.700 -0.135 0.000 2.346 434 N HA 0.270 5.011 4.740 0.002 0.000 0.289 434 N C -1.631 173.821 175.510 -0.097 0.000 1.027 434 N CA -0.414 52.612 53.050 -0.040 0.000 0.864 434 N CB 2.022 40.494 38.487 -0.025 0.000 1.370 434 N HN 0.285 nan 8.380 nan 0.000 0.481 435 V N 2.692 122.611 119.914 0.008 0.000 2.577 435 V HA 0.650 4.771 4.120 0.002 0.000 0.303 435 V C -0.122 175.983 176.094 0.019 0.000 1.042 435 V CA -0.725 61.576 62.300 0.002 0.000 0.872 435 V CB 1.073 32.938 31.823 0.069 0.000 0.998 435 V HN 0.948 nan 8.190 nan 0.000 0.423 436 C N 2.352 121.654 119.300 0.004 0.000 3.253 436 C HA 0.657 5.118 4.460 0.002 0.000 0.342 436 C C -0.962 174.035 174.990 0.012 0.000 1.306 436 C CA -0.912 58.117 59.018 0.019 0.000 1.207 436 C CB 1.409 29.167 27.740 0.029 0.000 1.479 436 C HN 0.824 nan 8.230 nan 0.000 0.469 437 E N 1.590 121.802 120.200 0.020 0.000 2.029 437 E HA 0.195 4.546 4.350 0.002 0.000 0.276 437 E C 0.592 177.205 176.600 0.021 0.000 1.163 437 E CA 0.182 56.592 56.400 0.016 0.000 0.909 437 E CB 0.423 30.132 29.700 0.015 0.000 1.046 437 E HN 0.624 nan 8.360 nan 0.000 0.406 438 D N 1.513 121.923 120.400 0.018 0.000 2.191 438 D HA -0.226 4.416 4.640 0.002 0.000 0.195 438 D C 1.607 177.926 176.300 0.031 0.000 1.003 438 D CA 1.373 55.388 54.000 0.025 0.000 0.867 438 D CB 0.144 40.960 40.800 0.027 0.000 0.926 438 D HN 0.355 nan 8.370 nan 0.000 0.450 439 S N -1.364 114.351 115.700 0.024 0.000 2.453 439 S HA 0.050 4.521 4.470 0.002 0.000 0.231 439 S C 1.870 176.485 174.600 0.025 0.000 1.005 439 S CA 0.160 58.372 58.200 0.020 0.000 0.949 439 S CB -0.101 63.103 63.200 0.007 0.000 0.774 439 S HN 0.276 nan 8.310 nan 0.000 0.510 440 L N 0.575 121.815 121.223 0.029 0.000 2.478 440 L HA 0.139 4.481 4.340 0.002 0.000 0.223 440 L C 1.918 178.825 176.870 0.063 0.000 1.140 440 L CA 0.415 55.279 54.840 0.040 0.000 0.842 440 L CB -0.155 41.927 42.059 0.038 0.000 0.953 440 L HN 0.347 nan 8.230 nan 0.000 0.452 441 L N -1.001 120.258 121.223 0.060 0.000 2.200 441 L HA 0.059 4.400 4.340 0.002 0.000 0.200 441 L C 2.740 179.656 176.870 0.075 0.000 1.072 441 L CA 0.770 55.654 54.840 0.074 0.000 0.787 441 L CB -0.279 41.819 42.059 0.064 0.000 0.957 441 L HN 0.167 nan 8.230 nan 0.000 0.459 442 A N -0.317 122.539 122.820 0.060 0.000 1.933 442 A HA -0.188 4.133 4.320 0.002 0.000 0.218 442 A C 2.252 179.863 177.584 0.044 0.000 1.175 442 A CA 2.276 54.346 52.037 0.056 0.000 0.628 442 A CB -0.849 18.177 19.000 0.043 0.000 0.814 442 A HN 0.368 nan 8.150 nan 0.000 0.444 443 T N 0.704 115.282 114.554 0.040 0.000 2.652 443 T HA -0.098 4.253 4.350 0.002 0.000 0.267 443 T C -0.174 174.550 174.700 0.040 0.000 1.039 443 T CA 1.824 63.946 62.100 0.037 0.000 1.153 443 T CB -1.107 67.786 68.868 0.043 0.000 0.863 443 T HN 0.513 nan 8.240 nan 0.000 0.428 444 P HA 0.013 nan 4.420 nan 0.000 0.220 444 P C 1.780 179.072 177.300 -0.013 0.000 1.148 444 P CA 0.780 63.908 63.100 0.045 0.000 0.803 444 P CB -0.170 31.592 31.700 0.104 0.000 0.782 445 L N -0.655 120.583 121.223 0.025 0.000 2.083 445 L HA -0.100 4.242 4.340 0.002 0.000 0.209 445 L C 2.563 179.338 176.870 -0.158 0.000 1.083 445 L CA 1.306 56.146 54.840 -0.001 0.000 0.752 445 L CB -0.523 41.617 42.059 0.134 0.000 0.899 445 L HN -0.197 nan 8.230 nan 0.000 0.433 446 I N -0.416 120.106 120.570 -0.079 0.000 2.315 446 I HA -0.319 3.852 4.170 0.002 0.000 0.248 446 I C 2.308 178.357 176.117 -0.113 0.000 1.117 446 I CA 1.257 62.502 61.300 -0.092 0.000 1.404 446 I CB -0.147 37.829 38.000 -0.039 0.000 1.071 446 I HN 0.259 nan 8.210 nan 0.000 0.419 447 I N 0.524 121.049 120.570 -0.076 0.000 2.226 447 I HA -0.296 3.875 4.170 0.002 0.000 0.245 447 I C 2.085 178.096 176.117 -0.177 0.000 1.100 447 I CA 1.304 62.585 61.300 -0.031 0.000 1.374 447 I CB -0.457 37.459 38.000 -0.140 0.000 1.057 447 I HN 0.230 nan 8.210 nan 0.000 0.413 448 D N 1.013 121.188 120.400 -0.374 0.000 2.092 448 D HA -0.159 4.482 4.640 0.002 0.000 0.193 448 D C 2.345 178.128 176.300 -0.862 0.000 0.994 448 D CA 1.285 54.882 54.000 -0.673 0.000 0.828 448 D CB -0.419 39.790 40.800 -0.986 0.000 0.963 448 D HN 0.244 nan 8.370 nan 0.000 0.450 449 L N 0.291 120.987 121.223 -0.879 0.000 2.043 449 L HA -0.199 4.142 4.340 0.002 0.000 0.212 449 L C 2.555 179.250 176.870 -0.293 0.000 1.075 449 L CA 0.854 55.342 54.840 -0.586 0.000 0.752 449 L CB -0.355 41.514 42.059 -0.315 0.000 0.891 449 L HN 0.071 nan 8.230 nan 0.000 0.432 450 L N -1.570 119.528 121.223 -0.208 0.000 2.109 450 L HA -0.144 4.197 4.340 0.002 0.000 0.207 450 L C 2.445 179.296 176.870 -0.032 0.000 1.086 450 L CA 0.550 55.310 54.840 -0.134 0.000 0.760 450 L CB -0.504 41.415 42.059 -0.233 0.000 0.910 450 L HN 0.040 nan 8.230 nan 0.000 0.437 451 V N -0.651 119.270 119.914 0.012 0.000 2.358 451 V HA -0.247 3.874 4.120 0.002 0.000 0.246 451 V C 2.546 178.686 176.094 0.077 0.000 1.047 451 V CA 1.407 63.754 62.300 0.080 0.000 1.035 451 V CB -0.355 31.470 31.823 0.005 0.000 0.658 451 V HN 0.354 nan 8.190 nan 0.000 0.452 452 M N -0.431 119.149 119.600 -0.033 0.000 2.200 452 M HA -0.084 4.397 4.480 0.002 0.000 0.265 452 M C 2.277 178.669 176.300 0.153 0.000 1.066 452 M CA 1.650 56.995 55.300 0.076 0.000 1.127 452 M CB -1.549 31.052 32.600 0.002 0.000 1.379 452 M HN 0.376 nan 8.290 nan 0.000 0.420 453 T N 0.323 114.916 114.554 0.065 0.000 2.674 453 T HA -0.158 4.193 4.350 0.002 0.000 0.265 453 T C 1.818 176.646 174.700 0.214 0.000 1.039 453 T CA 1.448 63.614 62.100 0.109 0.000 1.150 453 T CB -0.187 68.720 68.868 0.064 0.000 0.864 453 T HN 0.333 nan 8.240 nan 0.000 0.427 454 E N 0.639 120.940 120.200 0.170 0.000 2.085 454 E HA -0.146 4.206 4.350 0.002 0.000 0.194 454 E C 1.991 178.728 176.600 0.228 0.000 0.994 454 E CA 1.163 57.669 56.400 0.177 0.000 0.801 454 E CB -0.416 29.369 29.700 0.140 0.000 0.743 454 E HN 0.502 nan 8.360 nan 0.000 0.453 455 F N 1.036 121.068 119.950 0.136 0.000 2.095 455 F HA -0.248 4.280 4.527 0.002 0.000 0.298 455 F C 2.620 178.570 175.800 0.250 0.000 1.104 455 F CA 1.765 59.859 58.000 0.156 0.000 1.232 455 F CB -0.628 38.452 39.000 0.134 0.000 0.987 455 F HN 0.109 nan 8.300 nan 0.000 0.475 456 C N 0.265 119.794 119.300 0.382 0.000 2.413 456 C HA -0.194 4.267 4.460 0.002 0.000 0.277 456 C C 2.889 178.240 174.990 0.601 0.000 1.265 456 C CA 1.818 61.125 59.018 0.481 0.000 1.752 456 C CB -1.714 26.178 27.740 0.254 0.000 1.998 456 C HN 0.717 nan 8.230 nan 0.000 0.489 457 T N -1.437 113.389 114.554 0.452 0.000 3.051 457 T HA -0.111 4.240 4.350 0.002 0.000 0.269 457 T C 1.513 176.271 174.700 0.097 0.000 1.127 457 T CA 1.041 63.287 62.100 0.243 0.000 1.107 457 T CB -0.416 68.521 68.868 0.114 0.000 0.898 457 T HN 0.604 nan 8.240 nan 0.000 0.517 458 R N 0.269 120.797 120.500 0.047 0.000 2.393 458 R HA 0.364 4.705 4.340 0.002 0.000 0.244 458 R C -0.571 175.685 176.300 -0.073 0.000 0.920 458 R CA -0.165 55.898 56.100 -0.062 0.000 1.076 458 R CB 0.717 30.931 30.300 -0.143 0.000 1.119 458 R HN 0.295 nan 8.270 nan 0.000 0.524 459 V N 1.292 121.253 119.914 0.079 0.000 2.435 459 V HA 0.333 4.455 4.120 0.002 0.000 0.290 459 V C 0.034 176.217 176.094 0.149 0.000 1.030 459 V CA -0.543 61.850 62.300 0.156 0.000 0.881 459 V CB 1.646 33.746 31.823 0.462 0.000 0.983 459 V HN 0.246 nan 8.190 nan 0.000 0.445 460 S N 4.332 120.104 115.700 0.121 0.000 2.661 460 S HA 0.963 5.434 4.470 0.002 0.000 0.285 460 S C -1.097 173.671 174.600 0.280 0.000 1.138 460 S CA -0.720 57.534 58.200 0.090 0.000 0.855 460 S CB 2.435 65.607 63.200 -0.047 0.000 1.136 460 S HN 1.022 nan 8.310 nan 0.000 0.484 461 Y N -1.604 118.793 120.300 0.162 0.000 2.871 461 Y HA 0.827 5.378 4.550 0.002 0.000 0.331 461 Y C -1.690 174.186 175.900 -0.040 0.000 1.378 461 Y CA -1.244 56.875 58.100 0.033 0.000 1.079 461 Y CB 0.813 38.911 38.460 -0.604 0.000 1.441 461 Y HN 1.067 nan 8.280 nan 0.000 0.446 462 K N 0.380 120.733 120.400 -0.078 0.000 2.572 462 K HA 0.453 4.774 4.320 0.002 0.000 0.263 462 K C -2.025 174.570 176.600 -0.009 0.000 0.932 462 K CA -1.146 55.018 56.287 -0.204 0.000 0.838 462 K CB 2.255 34.372 32.500 -0.639 0.000 1.366 462 K HN 0.657 nan 8.250 nan 0.000 0.425 463 K N 1.418 121.803 120.400 -0.025 0.000 2.355 463 K HA 0.227 4.548 4.320 0.002 0.000 0.270 463 K C -0.432 176.041 176.600 -0.211 0.000 1.003 463 K CA -0.637 55.522 56.287 -0.213 0.000 0.957 463 K CB 1.062 33.455 32.500 -0.179 0.000 0.939 463 K HN 0.306 nan 8.250 nan 0.000 0.482 464 V N 2.548 122.316 119.914 -0.245 0.000 2.417 464 V HA 0.042 4.163 4.120 0.002 0.000 0.291 464 V C -0.269 175.743 176.094 -0.138 0.000 1.024 464 V CA -0.819 61.387 62.300 -0.156 0.000 0.861 464 V CB 1.510 33.269 31.823 -0.106 0.000 0.985 464 V HN 0.719 nan 8.190 nan 0.000 0.436 465 D N 7.507 127.845 120.400 -0.104 0.000 2.317 465 D HA 0.231 4.872 4.640 0.002 0.000 0.252 465 D C -1.110 175.151 176.300 -0.064 0.000 1.174 465 D CA -1.797 52.154 54.000 -0.081 0.000 0.866 465 D CB 2.214 42.974 40.800 -0.067 0.000 1.127 465 D HN 0.263 nan 8.370 nan 0.000 0.467 466 P HA -0.139 nan 4.420 nan 0.000 0.215 466 P C 1.009 178.289 177.300 -0.033 0.000 1.153 466 P CA 0.870 63.945 63.100 -0.043 0.000 0.853 466 P CB 0.065 31.741 31.700 -0.041 0.000 0.788 467 V N -2.832 117.062 119.914 -0.032 0.000 3.021 467 V HA 0.463 4.584 4.120 0.002 0.000 0.385 467 V C 0.217 176.295 176.094 -0.026 0.000 1.303 467 V CA -0.443 61.842 62.300 -0.025 0.000 1.471 467 V CB -1.254 30.556 31.823 -0.022 0.000 1.419 467 V HN 0.073 nan 8.190 nan 0.000 0.551 468 K N 0.753 121.135 120.400 -0.029 0.000 2.372 468 K HA 0.155 4.476 4.320 0.002 0.000 0.354 468 K C -0.474 176.105 176.600 -0.034 0.000 1.394 468 K CA -0.268 56.001 56.287 -0.030 0.000 1.138 468 K CB 1.189 33.669 32.500 -0.034 0.000 1.399 468 K HN 0.589 nan 8.250 nan 0.000 0.480 469 E N 2.678 122.862 120.200 -0.027 0.000 2.459 469 E HA -0.083 4.268 4.350 0.002 0.000 0.264 469 E C -0.594 175.984 176.600 -0.037 0.000 1.055 469 E CA 0.464 56.848 56.400 -0.026 0.000 0.957 469 E CB 0.432 30.123 29.700 -0.015 0.000 0.952 469 E HN 0.533 nan 8.360 nan 0.000 0.448 470 D N 1.183 121.558 120.400 -0.043 0.000 2.982 470 D HA -0.218 4.423 4.640 0.002 0.000 0.207 470 D C -0.693 175.560 176.300 -0.080 0.000 1.258 470 D CA 0.995 54.956 54.000 -0.064 0.000 0.758 470 D CB -0.733 40.041 40.800 -0.042 0.000 0.886 470 D HN 0.492 nan 8.370 nan 0.000 0.389 471 A N 0.830 123.592 122.820 -0.097 0.000 2.240 471 A HA 0.768 5.089 4.320 0.002 0.000 0.292 471 A C 1.367 178.871 177.584 -0.134 0.000 1.121 471 A CA 0.371 52.350 52.037 -0.096 0.000 0.851 471 A CB 0.435 19.383 19.000 -0.087 0.000 1.167 471 A HN 0.873 nan 8.150 nan 0.000 0.503 472 G N -0.354 108.374 108.800 -0.119 0.000 2.649 472 G HA2 0.032 3.993 3.960 0.002 0.000 0.413 472 G HA3 0.032 3.993 3.960 0.002 0.000 0.413 472 G C -0.175 174.609 174.900 -0.193 0.000 1.335 472 G CA 0.991 46.006 45.100 -0.142 0.000 0.917 472 G HN 1.804 nan 8.290 nan 0.000 0.552 473 K N -1.982 118.291 120.400 -0.211 0.000 2.480 473 K HA 0.759 5.080 4.320 0.002 0.000 0.258 473 K C -0.505 175.919 176.600 -0.293 0.000 0.990 473 K CA -1.174 54.976 56.287 -0.229 0.000 0.857 473 K CB 0.823 33.272 32.500 -0.086 0.000 1.384 473 K HN 0.364 nan 8.250 nan 0.000 0.446 474 F N 1.755 121.620 119.950 -0.142 0.000 2.572 474 F HA 0.155 4.683 4.527 0.002 0.000 0.370 474 F C 0.928 176.555 175.800 -0.289 0.000 1.103 474 F CA 0.552 58.417 58.000 -0.225 0.000 1.286 474 F CB 0.513 39.413 39.000 -0.167 0.000 1.105 474 F HN 0.365 nan 8.300 nan 0.000 0.583 475 E N 1.894 121.891 120.200 -0.339 0.000 2.334 475 E HA 0.418 4.769 4.350 0.002 0.000 0.256 475 E C -0.767 175.579 176.600 -0.423 0.000 0.958 475 E CA -1.064 55.095 56.400 -0.401 0.000 0.821 475 E CB 1.349 30.739 29.700 -0.517 0.000 1.269 475 E HN 0.476 nan 8.360 nan 0.000 0.413 476 N N -0.043 118.557 118.700 -0.167 0.000 2.471 476 N HA 0.346 5.087 4.740 0.002 0.000 0.288 476 N C -0.370 175.367 175.510 0.380 0.000 1.220 476 N CA -0.545 52.546 53.050 0.068 0.000 0.893 476 N CB 0.487 39.001 38.487 0.046 0.000 1.256 476 N HN 0.190 nan 8.380 nan 0.000 0.534 477 F N 0.849 121.175 119.950 0.626 0.000 2.628 477 F HA -0.064 4.464 4.527 0.002 0.000 0.362 477 F C 1.091 177.167 175.800 0.459 0.000 1.148 477 F CA 0.105 58.442 58.000 0.561 0.000 1.352 477 F CB 0.031 39.281 39.000 0.415 0.000 1.081 477 F HN 0.344 nan 8.300 nan 0.000 0.605 478 Y N 6.250 126.799 120.300 0.415 0.000 2.721 478 Y HA 0.052 4.603 4.550 0.002 0.000 0.329 478 Y C -1.569 174.473 175.900 0.235 0.000 1.211 478 Y CA -1.580 56.661 58.100 0.235 0.000 1.512 478 Y CB 0.325 38.831 38.460 0.077 0.000 1.249 478 Y HN 0.466 nan 8.280 nan 0.000 0.549 479 P HA -0.314 nan 4.420 nan 0.000 0.225 479 P C -0.238 176.849 177.300 -0.354 0.000 1.154 479 P CA 1.949 64.899 63.100 -0.249 0.000 0.933 479 P CB -0.127 31.334 31.700 -0.398 0.000 0.790 480 V N 1.042 120.569 119.914 -0.644 0.000 2.390 480 V HA -0.041 4.080 4.120 0.002 0.000 0.260 480 V C 0.881 176.843 176.094 -0.220 0.000 1.043 480 V CA 0.222 62.344 62.300 -0.296 0.000 1.047 480 V CB -0.713 31.083 31.823 -0.045 0.000 1.066 480 V HN 0.059 nan 8.190 nan 0.000 0.481 481 L N 5.966 126.989 121.223 -0.334 0.000 2.400 481 L HA 0.052 4.393 4.340 0.002 0.000 0.262 481 L C 1.959 178.703 176.870 -0.210 0.000 1.309 481 L CA -0.013 54.592 54.840 -0.392 0.000 1.186 481 L CB -0.148 41.591 42.059 -0.533 0.000 1.375 481 L HN 0.855 nan 8.230 nan 0.000 0.433 482 T N -2.892 111.538 114.554 -0.206 0.000 3.051 482 T HA -0.166 4.185 4.350 0.002 0.000 0.269 482 T C 1.455 176.098 174.700 -0.094 0.000 1.127 482 T CA 0.724 62.735 62.100 -0.148 0.000 1.107 482 T CB -0.322 68.427 68.868 -0.198 0.000 0.898 482 T HN 0.421 nan 8.240 nan 0.000 0.517 483 F N 0.910 120.726 119.950 -0.222 0.000 2.494 483 F HA 0.209 4.737 4.527 0.002 0.000 0.298 483 F C 1.618 177.408 175.800 -0.017 0.000 1.106 483 F CA 0.292 58.174 58.000 -0.196 0.000 1.452 483 F CB -0.037 38.734 39.000 -0.381 0.000 1.085 483 F HN 0.189 nan 8.300 nan 0.000 0.569 484 L N -1.649 119.718 121.223 0.240 0.000 2.628 484 L HA 0.041 4.382 4.340 0.002 0.000 0.229 484 L C 1.905 178.976 176.870 0.335 0.000 1.137 484 L CA -0.068 55.035 54.840 0.437 0.000 0.909 484 L CB -0.328 41.924 42.059 0.321 0.000 1.137 484 L HN -0.077 nan 8.230 nan 0.000 0.470 485 S N -0.063 115.720 115.700 0.138 0.000 2.419 485 S HA -0.239 4.232 4.470 0.002 0.000 0.235 485 S C 1.810 176.401 174.600 -0.015 0.000 1.019 485 S CA 1.152 59.391 58.200 0.065 0.000 0.982 485 S CB -0.352 62.862 63.200 0.023 0.000 0.789 485 S HN 0.536 nan 8.310 nan 0.000 0.490 486 Y N 0.798 120.915 120.300 -0.306 0.000 2.241 486 Y HA -0.169 4.382 4.550 0.001 0.000 0.286 486 Y C 1.497 177.075 175.900 -0.537 0.000 1.166 486 Y CA 1.430 59.182 58.100 -0.579 0.000 1.203 486 Y CB -0.151 37.649 38.460 -1.100 0.000 0.977 486 Y HN 0.357 nan 8.280 nan 0.000 0.529 487 W N 0.086 121.448 121.300 0.104 0.000 3.220 487 W HA 0.328 4.989 4.660 0.001 0.000 0.328 487 W C -0.767 175.752 176.519 0.000 0.000 1.205 487 W CA -0.153 57.213 57.345 0.036 0.000 1.773 487 W CB -0.102 29.426 29.460 0.114 0.000 1.086 487 W HN -0.088 nan 8.180 nan 0.000 0.622 488 L N 0.454 121.773 121.223 0.160 0.000 2.346 488 L HA 0.324 4.665 4.340 0.002 0.000 0.276 488 L C 1.505 178.405 176.870 0.049 0.000 1.006 488 L CA -0.445 54.465 54.840 0.118 0.000 0.817 488 L CB 2.433 44.574 42.059 0.137 0.000 1.272 488 L HN -0.322 nan 8.230 nan 0.000 0.421 489 K N 2.419 122.848 120.400 0.049 0.000 2.026 489 K HA 0.023 4.344 4.320 0.002 0.000 0.208 489 K C 0.626 177.246 176.600 0.033 0.000 1.048 489 K CA 1.356 57.661 56.287 0.030 0.000 0.929 489 K CB 0.178 32.700 32.500 0.037 0.000 0.713 489 K HN 0.707 nan 8.250 nan 0.000 0.439 490 A N 2.142 124.992 122.820 0.050 0.000 2.644 490 A HA 0.373 4.694 4.320 0.002 0.000 0.343 490 A C -2.623 174.999 177.584 0.064 0.000 1.324 490 A CA -1.694 50.375 52.037 0.054 0.000 0.846 490 A CB 0.580 19.619 19.000 0.064 0.000 1.128 490 A HN 0.068 nan 8.150 nan 0.000 0.484 491 P HA 0.045 nan 4.420 nan 0.000 0.260 491 P C -0.134 177.201 177.300 0.058 0.000 1.185 491 P CA 0.085 63.216 63.100 0.052 0.000 0.763 491 P CB 0.372 32.094 31.700 0.036 0.000 0.776 492 L N 5.435 126.694 121.223 0.060 0.000 2.410 492 L HA 0.282 4.623 4.340 0.002 0.000 0.273 492 L C 0.513 177.407 176.870 0.041 0.000 1.144 492 L CA 0.807 55.681 54.840 0.058 0.000 0.863 492 L CB -0.004 42.075 42.059 0.032 0.000 1.140 492 L HN 0.428 nan 8.230 nan 0.000 0.463 493 T N 2.667 117.261 114.554 0.067 0.000 2.949 493 T HA 0.536 4.887 4.350 0.002 0.000 0.287 493 T C 0.013 174.779 174.700 0.110 0.000 1.034 493 T CA -0.963 61.183 62.100 0.077 0.000 1.018 493 T CB 1.121 70.062 68.868 0.121 0.000 1.135 493 T HN 0.719 nan 8.240 nan 0.000 0.532 494 R N 1.335 121.885 120.500 0.083 0.000 2.459 494 R HA 0.385 4.726 4.340 0.002 0.000 0.281 494 R C -2.245 174.201 176.300 0.244 0.000 1.050 494 R CA -2.102 54.045 56.100 0.079 0.000 1.055 494 R CB 0.411 30.496 30.300 -0.357 0.000 1.045 494 R HN 0.494 nan 8.270 nan 0.000 0.495 495 P HA -0.036 nan 4.420 nan 0.000 0.260 495 P C 0.160 177.577 177.300 0.195 0.000 1.185 495 P CA 1.112 64.318 63.100 0.177 0.000 0.763 495 P CB 0.793 32.569 31.700 0.127 0.000 0.776 496 G N 2.937 111.815 108.800 0.131 0.000 2.313 496 G HA2 -0.210 3.751 3.960 0.002 0.000 0.215 496 G HA3 -0.210 3.751 3.960 0.002 0.000 0.215 496 G C -0.272 174.577 174.900 -0.085 0.000 1.023 496 G CA -0.538 44.536 45.100 -0.044 0.000 0.626 496 G HN 0.414 nan 8.290 nan 0.000 0.503 497 F N 2.939 122.930 119.950 0.069 0.000 2.394 497 F HA 0.619 5.147 4.527 0.002 0.000 0.340 497 F C 1.092 177.012 175.800 0.201 0.000 1.105 497 F CA -0.765 57.281 58.000 0.076 0.000 1.124 497 F CB 0.615 39.616 39.000 0.002 0.000 1.145 497 F HN 0.112 nan 8.300 nan 0.000 0.505 498 H N 2.911 122.074 119.070 0.156 0.000 2.551 498 H HA 0.243 4.800 4.556 0.002 0.000 0.358 498 H C -1.904 173.480 175.328 0.094 0.000 1.151 498 H CA -1.827 54.279 56.048 0.097 0.000 1.374 498 H CB 0.855 30.652 29.762 0.059 0.000 1.473 498 H HN 0.366 nan 8.280 nan 0.000 0.574 499 P HA 0.088 nan 4.420 nan 0.000 0.277 499 P C -0.793 176.563 177.300 0.093 0.000 1.240 499 P CA -0.380 62.782 63.100 0.104 0.000 0.798 499 P CB 1.394 33.135 31.700 0.068 0.000 0.979 500 V N 2.821 122.772 119.914 0.061 0.000 2.444 500 V HA 0.241 4.362 4.120 0.002 0.000 0.294 500 V C 0.953 177.064 176.094 0.028 0.000 1.022 500 V CA -0.318 62.012 62.300 0.049 0.000 0.850 500 V CB 0.944 32.794 31.823 0.044 0.000 0.992 500 V HN 0.540 nan 8.190 nan 0.000 0.426 501 N N 2.716 121.431 118.700 0.024 0.000 2.236 501 N HA 0.109 4.851 4.740 0.002 0.000 0.196 501 N C 1.191 176.698 175.510 -0.005 0.000 1.114 501 N CA 0.030 53.083 53.050 0.005 0.000 0.859 501 N CB 0.591 39.086 38.487 0.012 0.000 0.982 501 N HN 0.810 nan 8.380 nan 0.000 0.493 502 G N 1.420 110.227 108.800 0.012 0.000 2.305 502 G HA2 -0.028 3.933 3.960 0.002 0.000 0.281 502 G HA3 -0.028 3.933 3.960 0.002 0.000 0.281 502 G C 1.006 175.910 174.900 0.006 0.000 1.085 502 G CA -0.149 44.960 45.100 0.016 0.000 1.211 502 G HN 0.137 nan 8.290 nan 0.000 0.421 503 L N 3.139 124.349 121.223 -0.023 0.000 2.013 503 L HA -0.198 4.143 4.340 0.002 0.000 0.212 503 L C 2.475 179.382 176.870 0.060 0.000 1.073 503 L CA 1.938 56.747 54.840 -0.051 0.000 0.753 503 L CB -0.202 41.786 42.059 -0.117 0.000 0.890 503 L HN 0.537 nan 8.230 nan 0.000 0.432 504 N N -0.424 118.311 118.700 0.059 0.000 2.223 504 N HA -0.184 4.557 4.740 0.002 0.000 0.185 504 N C 1.721 177.274 175.510 0.071 0.000 1.016 504 N CA 1.376 54.472 53.050 0.077 0.000 0.863 504 N CB -0.152 38.371 38.487 0.060 0.000 0.983 504 N HN 0.508 nan 8.380 nan 0.000 0.429 505 K N 1.042 121.478 120.400 0.060 0.000 2.155 505 K HA -0.026 4.295 4.320 0.002 0.000 0.203 505 K C 2.038 178.679 176.600 0.068 0.000 1.052 505 K CA 0.696 57.017 56.287 0.058 0.000 0.948 505 K CB -0.005 32.525 32.500 0.049 0.000 0.728 505 K HN 0.285 nan 8.250 nan 0.000 0.448 506 Q N 0.354 120.199 119.800 0.074 0.000 2.119 506 Q HA -0.138 4.203 4.340 0.002 0.000 0.201 506 Q C 2.172 178.213 176.000 0.068 0.000 0.972 506 Q CA 1.191 57.042 55.803 0.081 0.000 0.847 506 Q CB -0.067 28.713 28.738 0.069 0.000 0.903 506 Q HN 0.222 nan 8.270 nan 0.000 0.433 507 R N 0.159 120.708 120.500 0.082 0.000 2.093 507 R HA -0.063 4.278 4.340 0.002 0.000 0.224 507 R C 1.994 178.287 176.300 -0.013 0.000 1.101 507 R CA 1.378 57.426 56.100 -0.085 0.000 0.979 507 R CB 0.041 30.270 30.300 -0.118 0.000 0.877 507 R HN 0.132 nan 8.270 nan 0.000 0.441 508 T N 0.809 115.382 114.554 0.032 0.000 2.720 508 T HA -0.150 4.201 4.350 0.002 0.000 0.268 508 T C 1.806 176.540 174.700 0.057 0.000 1.037 508 T CA 1.450 63.573 62.100 0.038 0.000 1.144 508 T CB -0.313 68.584 68.868 0.048 0.000 0.864 508 T HN 0.445 nan 8.240 nan 0.000 0.444 509 A N 1.225 124.105 122.820 0.099 0.000 1.883 509 A HA -0.061 4.260 4.320 0.002 0.000 0.217 509 A C 2.325 180.005 177.584 0.159 0.000 1.186 509 A CA 1.414 53.568 52.037 0.196 0.000 0.624 509 A CB -0.948 18.212 19.000 0.268 0.000 0.822 509 A HN 0.482 nan 8.150 nan 0.000 0.444 510 L N -0.981 120.268 121.223 0.043 0.000 2.046 510 L HA -0.212 4.129 4.340 0.002 0.000 0.208 510 L C 2.729 179.534 176.870 -0.108 0.000 1.077 510 L CA 1.833 56.624 54.840 -0.083 0.000 0.747 510 L CB -0.496 41.565 42.059 0.004 0.000 0.896 510 L HN 0.586 nan 8.230 nan 0.000 0.432 511 E N 0.680 120.833 120.200 -0.079 0.000 2.012 511 E HA -0.256 4.095 4.350 0.002 0.000 0.197 511 E C 1.874 178.382 176.600 -0.153 0.000 1.007 511 E CA 1.865 58.170 56.400 -0.157 0.000 0.816 511 E CB -0.102 29.552 29.700 -0.076 0.000 0.762 511 E HN 0.539 nan 8.360 nan 0.000 0.451 512 N N -0.440 118.226 118.700 -0.056 0.000 2.192 512 N HA -0.185 4.556 4.740 0.002 0.000 0.188 512 N C 1.796 177.266 175.510 -0.067 0.000 1.013 512 N CA 1.051 54.079 53.050 -0.037 0.000 0.863 512 N CB -0.239 38.276 38.487 0.048 0.000 0.990 512 N HN 0.189 nan 8.380 nan 0.000 0.430 513 F N 1.643 121.460 119.950 -0.222 0.000 2.075 513 F HA -0.151 4.377 4.527 0.001 0.000 0.297 513 F C 1.971 177.568 175.800 -0.339 0.000 1.113 513 F CA 1.035 58.848 58.000 -0.313 0.000 1.218 513 F CB -0.040 38.663 39.000 -0.494 0.000 0.984 513 F HN -0.039 nan 8.300 nan 0.000 0.472 514 L N 0.095 121.010 121.223 -0.512 0.000 2.046 514 L HA -0.222 4.119 4.340 0.002 0.000 0.208 514 L C 2.610 179.221 176.870 -0.431 0.000 1.077 514 L CA 1.384 55.870 54.840 -0.590 0.000 0.747 514 L CB -0.724 40.963 42.059 -0.619 0.000 0.896 514 L HN 0.121 nan 8.230 nan 0.000 0.432 515 R N 0.171 120.476 120.500 -0.325 0.000 2.083 515 R HA -0.211 4.130 4.340 0.002 0.000 0.237 515 R C 2.299 178.472 176.300 -0.211 0.000 1.137 515 R CA 1.818 57.783 56.100 -0.225 0.000 0.951 515 R CB -0.652 29.552 30.300 -0.159 0.000 0.851 515 R HN 0.309 nan 8.270 nan 0.000 0.434 516 L N -0.279 120.776 121.223 -0.281 0.000 2.046 516 L HA -0.101 4.240 4.340 0.002 0.000 0.208 516 L C 1.922 178.631 176.870 -0.268 0.000 1.077 516 L CA 1.712 56.372 54.840 -0.300 0.000 0.747 516 L CB -0.834 40.830 42.059 -0.657 0.000 0.896 516 L HN 0.057 nan 8.230 nan 0.000 0.432 517 L N 0.426 121.408 121.223 -0.402 0.000 2.187 517 L HA -0.138 4.203 4.340 0.002 0.000 0.213 517 L C 2.217 179.003 176.870 -0.140 0.000 1.100 517 L CA 1.557 56.214 54.840 -0.304 0.000 0.765 517 L CB -0.591 41.225 42.059 -0.406 0.000 0.904 517 L HN 0.575 nan 8.230 nan 0.000 0.437 518 I N -3.526 116.969 120.570 -0.125 0.000 3.884 518 I HA 0.403 4.574 4.170 0.002 0.000 0.330 518 I C 1.062 177.174 176.117 -0.008 0.000 1.451 518 I CA 0.250 61.524 61.300 -0.043 0.000 1.165 518 I CB -0.247 37.725 38.000 -0.046 0.000 1.097 518 I HN 0.167 nan 8.210 nan 0.000 0.404 519 G N 2.048 110.849 108.800 0.001 0.000 2.176 519 G HA2 -0.234 3.727 3.960 0.002 0.000 0.252 519 G HA3 -0.234 3.727 3.960 0.002 0.000 0.252 519 G C -0.159 174.765 174.900 0.041 0.000 1.024 519 G CA 0.134 45.264 45.100 0.051 0.000 0.755 519 G HN 0.465 nan 8.290 nan 0.000 0.507 520 L N 1.449 122.673 121.223 0.002 0.000 2.317 520 L HA 0.503 4.845 4.340 0.002 0.000 0.281 520 L C -1.325 175.559 176.870 0.023 0.000 1.024 520 L CA -2.321 52.517 54.840 -0.003 0.000 0.810 520 L CB 1.822 43.852 42.059 -0.049 0.000 1.240 520 L HN -0.013 nan 8.230 nan 0.000 0.427 521 P HA 0.088 nan 4.420 nan 0.000 0.274 521 P C -0.588 176.736 177.300 0.040 0.000 1.246 521 P CA -0.454 62.692 63.100 0.077 0.000 0.795 521 P CB 0.908 32.641 31.700 0.055 0.000 1.006 522 S N 0.689 116.430 115.700 0.069 0.000 2.579 522 S HA 0.067 4.538 4.470 0.002 0.000 0.275 522 S C 0.507 175.105 174.600 -0.003 0.000 1.345 522 S CA -0.665 57.557 58.200 0.037 0.000 1.031 522 S CB -0.067 63.179 63.200 0.076 0.000 0.892 522 S HN 0.372 nan 8.310 nan 0.000 0.529 523 Q N 2.068 121.855 119.800 -0.022 0.000 2.311 523 Q HA 0.104 4.445 4.340 0.002 0.000 0.272 523 Q C 0.587 176.562 176.000 -0.042 0.000 1.012 523 Q CA 0.239 56.015 55.803 -0.045 0.000 0.891 523 Q CB 0.626 29.335 28.738 -0.048 0.000 1.201 523 Q HN 1.002 nan 8.270 nan 0.000 0.391 524 N N 0.431 119.088 118.700 -0.071 0.000 2.257 524 N HA -0.038 4.703 4.740 0.002 0.000 0.200 524 N C -0.395 175.051 175.510 -0.107 0.000 1.163 524 N CA -0.017 52.980 53.050 -0.088 0.000 0.891 524 N CB 0.539 38.952 38.487 -0.124 0.000 1.067 524 N HN 0.307 nan 8.380 nan 0.000 0.497 525 E N -0.460 119.676 120.200 -0.106 0.000 3.170 525 E HA -0.197 4.154 4.350 0.002 0.000 0.284 525 E C 0.601 177.118 176.600 -0.138 0.000 0.967 525 E CA 0.540 56.885 56.400 -0.093 0.000 0.919 525 E CB -1.889 27.781 29.700 -0.049 0.000 1.469 525 E HN 0.537 nan 8.360 nan 0.000 0.444 526 L N -0.421 120.646 121.223 -0.260 0.000 2.179 526 L HA 0.051 4.392 4.340 0.002 0.000 0.208 526 L C 1.075 177.730 176.870 -0.358 0.000 1.096 526 L CA 0.725 55.292 54.840 -0.456 0.000 0.779 526 L CB -0.174 41.295 42.059 -0.983 0.000 0.922 526 L HN 0.081 nan 8.230 nan 0.000 0.443 527 R N -0.639 119.713 120.500 -0.246 0.000 3.158 527 R HA -0.229 4.112 4.340 0.002 0.000 0.244 527 R C 0.366 176.718 176.300 0.087 0.000 0.900 527 R CA 0.019 56.077 56.100 -0.070 0.000 0.618 527 R CB -1.803 28.487 30.300 -0.016 0.000 1.061 527 R HN 0.138 nan 8.270 nan 0.000 0.471 528 F N 0.181 120.131 119.950 0.000 0.000 2.546 528 F HA -0.051 4.476 4.527 0.001 0.000 0.298 528 F C 1.927 177.727 175.800 0.001 0.000 1.120 528 F CA 1.060 59.061 58.000 0.001 0.000 1.456 528 F CB -0.037 38.963 39.000 0.001 0.000 1.088 528 F HN 0.180 nan 8.300 nan 0.000 0.572 529 E N 0.219 120.524 120.200 0.175 0.000 2.268 529 E HA -0.191 4.160 4.350 0.002 0.000 0.195 529 E C 1.912 178.558 176.600 0.077 0.000 0.995 529 E CA 1.361 57.820 56.400 0.098 0.000 0.836 529 E CB -0.181 29.555 29.700 0.059 0.000 0.763 529 E HN 0.679 nan 8.360 nan 0.000 0.491 530 E N -0.861 119.393 120.200 0.090 0.000 2.391 530 E HA 0.136 4.487 4.350 0.002 0.000 0.206 530 E C 1.923 178.567 176.600 0.074 0.000 0.851 530 E CA -0.277 56.163 56.400 0.066 0.000 1.059 530 E CB -0.061 29.670 29.700 0.053 0.000 1.065 530 E HN -0.069 nan 8.360 nan 0.000 0.512 531 R N 0.471 121.044 120.500 0.122 0.000 2.276 531 R HA 0.252 4.594 4.340 0.002 0.000 0.203 531 R C 0.036 176.364 176.300 0.046 0.000 1.017 531 R CA 0.403 56.573 56.100 0.117 0.000 1.010 531 R CB 0.201 30.636 30.300 0.224 0.000 0.900 531 R HN 0.182 nan 8.270 nan 0.000 0.469 532 L N 1.705 122.942 121.223 0.024 0.000 2.410 532 L HA 0.302 4.643 4.340 0.002 0.000 0.270 532 L C -0.279 176.576 176.870 -0.025 0.000 0.983 532 L CA -1.075 53.730 54.840 -0.059 0.000 0.822 532 L CB 1.886 43.836 42.059 -0.182 0.000 1.285 532 L HN -0.134 nan 8.230 nan 0.000 0.409 533 L N 0.000 121.204 121.223 -0.031 0.000 2.949 533 L HA 0.000 4.341 4.340 0.002 0.000 0.249 533 L CA 0.000 54.830 54.840 -0.017 0.000 0.813 533 L CB 0.000 42.048 42.059 -0.019 0.000 0.961 533 L HN 0.000 nan 8.230 nan 0.000 0.502