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 1jro_1_E DATA FIRST_RESID 1 DATA SEQUENCE MEIAFLLNGE TRRVRIEDPT QSLLELLRAE GLTGTKEGCN EGDCGACTVM DATA SEQUENCE IRDAAGSRAV NACLMMLPQI AGKALRTIEG IAAPDGRLHP VQQAMIDHHG DATA SEQUENCE SQCGFCTPGF IVSMAAAHDR DRKDYDDLLA GNLCRCTGYA PILRAAEAAA DATA SEQUENCE GEPPADWLQA DAAFTLXXXX XXXXXXXXPA FLPETSDALA DWYLAHPEAT DATA SEQUENCE LIAGGTDVSL WVTKALRDLP EVAFLSHCKD LAQIRETPDG YGIGAGVTIA DATA SEQUENCE ALRAFAEGPH PALAGLLRRF ASEQVRQVAT IGGNIANGSP IGDGPPALIA DATA SEQUENCE MGASLTLRRG QERRRMPLED FFLEYRKQDR RPGEFVESVT LPKSAPGLRC DATA SEQUENCE YKLSKRFDQD ISAVCGCLNL TLKGSKIETA RIAFGGMAGV PKRAAAFEAA DATA SEQUENCE LIGQDFREDT IAAALPLLAQ DFTPLSDMRA SAAYRMNAAQ AMALRYVREL DATA SEQUENCE SGEAVAVLEV MP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.321 176.300 0.035 0.000 1.140 1 M CA 0.000 55.323 55.300 0.038 0.000 0.988 1 M CB 0.000 32.630 32.600 0.050 0.000 1.302 2 E N 5.300 125.516 120.200 0.026 0.000 2.202 2 E HA 0.817 5.167 4.350 -0.000 0.000 0.272 2 E C -1.434 175.182 176.600 0.026 0.000 0.951 2 E CA -0.709 55.705 56.400 0.024 0.000 0.813 2 E CB 1.876 31.583 29.700 0.012 0.000 1.151 2 E HN 0.693 nan 8.360 nan 0.000 0.398 3 I N -0.636 119.961 120.570 0.044 0.000 2.969 3 I HA 0.876 5.046 4.170 -0.000 0.000 0.307 3 I C -1.371 174.791 176.117 0.076 0.000 1.149 3 I CA -0.954 60.389 61.300 0.071 0.000 1.008 3 I CB 2.235 40.301 38.000 0.109 0.000 1.232 3 I HN 0.510 nan 8.210 nan 0.000 0.435 4 A N 3.618 126.509 122.820 0.118 0.000 2.454 4 A HA 0.985 5.305 4.320 -0.000 0.000 0.302 4 A C -1.134 176.597 177.584 0.245 0.000 1.079 4 A CA -0.496 51.577 52.037 0.060 0.000 0.731 4 A CB 1.519 20.569 19.000 0.085 0.000 1.299 4 A HN 1.166 nan 8.150 nan 0.000 0.413 5 F N -0.834 119.161 119.950 0.075 0.000 2.799 5 F HA 0.658 5.185 4.527 -0.000 0.000 0.316 5 F C -1.915 173.632 175.800 -0.422 0.000 1.155 5 F CA -1.177 56.739 58.000 -0.139 0.000 0.916 5 F CB 0.774 39.711 39.000 -0.105 0.000 1.294 5 F HN 0.556 nan 8.300 nan 0.000 0.447 6 L N 2.602 123.482 121.223 -0.572 0.000 2.289 6 L HA 0.772 5.112 4.340 -0.000 0.000 0.285 6 L C -1.333 175.515 176.870 -0.037 0.000 1.049 6 L CA -0.739 53.796 54.840 -0.508 0.000 0.804 6 L CB 1.428 42.974 42.059 -0.856 0.000 1.195 6 L HN 0.793 nan 8.230 nan 0.000 0.428 7 L N 5.673 126.904 121.223 0.013 0.000 2.342 7 L HA 0.509 4.849 4.340 -0.000 0.000 0.276 7 L C -0.368 176.521 176.870 0.032 0.000 0.997 7 L CA -0.045 54.860 54.840 0.109 0.000 0.838 7 L CB 0.672 42.853 42.059 0.203 0.000 1.224 7 L HN 0.739 nan 8.230 nan 0.000 0.416 8 N N 4.584 123.299 118.700 0.025 0.000 2.686 8 N HA -0.229 4.511 4.740 -0.000 0.000 0.261 8 N C 1.011 176.537 175.510 0.027 0.000 1.001 8 N CA 1.281 54.350 53.050 0.032 0.000 0.764 8 N CB -0.993 37.512 38.487 0.029 0.000 0.898 8 N HN 1.200 nan 8.380 nan 0.000 0.544 9 G N -1.191 107.619 108.800 0.016 0.000 2.205 9 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.261 9 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.261 9 G C -0.067 174.832 174.900 -0.001 0.000 0.980 9 G CA 0.748 45.859 45.100 0.019 0.000 0.632 9 G HN 0.566 nan 8.290 nan 0.000 0.533 10 E N 0.571 120.757 120.200 -0.024 0.000 2.221 10 E HA 0.536 4.886 4.350 -0.000 0.000 0.268 10 E C -0.078 176.473 176.600 -0.081 0.000 0.933 10 E CA -0.237 56.142 56.400 -0.034 0.000 0.809 10 E CB 1.124 30.804 29.700 -0.033 0.000 1.190 10 E HN 0.221 nan 8.360 nan 0.000 0.406 11 T N 1.539 116.057 114.554 -0.060 0.000 2.832 11 T HA 0.487 4.837 4.350 -0.000 0.000 0.296 11 T C -0.094 174.496 174.700 -0.185 0.000 0.968 11 T CA -0.603 61.449 62.100 -0.080 0.000 1.107 11 T CB 0.836 69.716 68.868 0.020 0.000 0.916 11 T HN 0.194 nan 8.240 nan 0.000 0.517 12 R N 1.383 121.661 120.500 -0.369 0.000 2.574 12 R HA 0.424 4.764 4.340 -0.000 0.000 0.288 12 R C -0.848 175.133 176.300 -0.533 0.000 1.004 12 R CA -0.637 55.160 56.100 -0.505 0.000 0.895 12 R CB 1.267 31.078 30.300 -0.815 0.000 1.191 12 R HN 0.601 nan 8.270 nan 0.000 0.444 13 R N 2.708 123.036 120.500 -0.287 0.000 2.445 13 R HA 0.621 4.961 4.340 -0.000 0.000 0.308 13 R C -0.913 175.316 176.300 -0.117 0.000 0.961 13 R CA -0.997 54.997 56.100 -0.176 0.000 0.862 13 R CB 1.922 32.170 30.300 -0.087 0.000 1.144 13 R HN 0.229 nan 8.270 nan 0.000 0.447 14 V N 2.818 122.702 119.914 -0.050 0.000 2.588 14 V HA 0.393 4.513 4.120 -0.000 0.000 0.304 14 V C 0.219 176.336 176.094 0.038 0.000 1.042 14 V CA -1.012 61.299 62.300 0.019 0.000 0.877 14 V CB 2.235 34.128 31.823 0.116 0.000 0.996 14 V HN 0.643 nan 8.190 nan 0.000 0.425 15 R N 3.714 124.233 120.500 0.032 0.000 2.248 15 R HA 0.436 4.776 4.340 -0.000 0.000 0.337 15 R C -0.551 175.778 176.300 0.048 0.000 1.085 15 R CA -0.192 55.929 56.100 0.035 0.000 0.934 15 R CB 0.352 30.668 30.300 0.027 0.000 1.034 15 R HN 0.628 nan 8.270 nan 0.000 0.465 16 I N 4.114 124.717 120.570 0.055 0.000 2.363 16 I HA -0.018 4.152 4.170 -0.000 0.000 0.292 16 I C 1.130 177.283 176.117 0.060 0.000 1.075 16 I CA 0.453 61.791 61.300 0.063 0.000 1.333 16 I CB 0.914 38.957 38.000 0.071 0.000 1.415 16 I HN 0.626 nan 8.210 nan 0.000 0.502 17 E N 3.140 123.374 120.200 0.057 0.000 2.372 17 E HA 0.008 4.358 4.350 -0.000 0.000 0.201 17 E C -0.243 176.393 176.600 0.060 0.000 0.938 17 E CA 0.300 56.733 56.400 0.054 0.000 0.944 17 E CB 0.576 30.303 29.700 0.045 0.000 0.937 17 E HN 0.517 nan 8.360 nan 0.000 0.495 18 D N 0.635 121.075 120.400 0.066 0.000 2.473 18 D HA 0.104 4.744 4.640 -0.000 0.000 0.253 18 D C -2.029 174.327 176.300 0.093 0.000 1.233 18 D CA -2.255 51.789 54.000 0.073 0.000 0.908 18 D CB 1.660 42.498 40.800 0.064 0.000 1.170 18 D HN -0.205 nan 8.370 nan 0.000 0.558 19 P HA 0.011 nan 4.420 nan 0.000 0.241 19 P C 0.984 178.416 177.300 0.220 0.000 1.191 19 P CA 0.397 63.610 63.100 0.189 0.000 0.771 19 P CB 0.535 32.373 31.700 0.231 0.000 0.929 20 T N -1.314 113.329 114.554 0.149 0.000 3.044 20 T HA 0.025 4.375 4.350 -0.000 0.000 0.250 20 T C 0.877 175.634 174.700 0.096 0.000 1.081 20 T CA -0.070 62.113 62.100 0.139 0.000 1.040 20 T CB -0.283 68.651 68.868 0.109 0.000 0.962 20 T HN 0.142 nan 8.240 nan 0.000 0.506 21 Q N 2.267 122.113 119.800 0.076 0.000 2.349 21 Q HA 0.095 4.435 4.340 -0.000 0.000 0.287 21 Q C -0.055 175.961 176.000 0.027 0.000 1.044 21 Q CA -0.100 55.732 55.803 0.049 0.000 0.918 21 Q CB 0.507 29.271 28.738 0.043 0.000 1.242 21 Q HN 0.448 nan 8.270 nan 0.000 0.405 22 S N 2.951 118.660 115.700 0.015 0.000 2.616 22 S HA 0.129 4.599 4.470 -0.000 0.000 0.277 22 S C 0.773 175.356 174.600 -0.029 0.000 1.234 22 S CA -0.833 57.361 58.200 -0.010 0.000 1.028 22 S CB 1.281 64.478 63.200 -0.005 0.000 0.988 22 S HN 0.767 nan 8.310 nan 0.000 0.522 23 L N 2.436 123.621 121.223 -0.062 0.000 2.079 23 L HA -0.022 4.317 4.340 -0.000 0.000 0.210 23 L C 2.067 178.901 176.870 -0.059 0.000 1.081 23 L CA 1.773 56.561 54.840 -0.087 0.000 0.752 23 L CB -1.092 40.886 42.059 -0.135 0.000 0.896 23 L HN 0.843 nan 8.230 nan 0.000 0.433 24 L N 0.059 121.254 121.223 -0.046 0.000 1.997 24 L HA -0.250 4.089 4.340 -0.000 0.000 0.216 24 L C 2.526 179.387 176.870 -0.015 0.000 1.074 24 L CA 2.124 56.945 54.840 -0.031 0.000 0.763 24 L CB -0.977 41.070 42.059 -0.020 0.000 0.890 24 L HN 0.437 nan 8.230 nan 0.000 0.434 25 E N -0.368 119.829 120.200 -0.005 0.000 2.077 25 E HA -0.271 4.078 4.350 -0.000 0.000 0.193 25 E C 2.274 178.878 176.600 0.007 0.000 0.989 25 E CA 1.649 58.054 56.400 0.007 0.000 0.800 25 E CB -0.791 28.919 29.700 0.016 0.000 0.746 25 E HN 0.585 nan 8.360 nan 0.000 0.452 26 L N 0.963 122.186 121.223 0.001 0.000 1.989 26 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 26 L C 2.457 179.334 176.870 0.012 0.000 1.071 26 L CA 1.372 56.219 54.840 0.012 0.000 0.749 26 L CB -0.327 41.742 42.059 0.017 0.000 0.890 26 L HN 0.034 nan 8.230 nan 0.000 0.431 27 L N -0.722 120.498 121.223 -0.004 0.000 2.046 27 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 27 L C 2.773 179.645 176.870 0.003 0.000 1.077 27 L CA 1.458 56.298 54.840 -0.001 0.000 0.747 27 L CB -0.669 41.379 42.059 -0.019 0.000 0.896 27 L HN 0.206 nan 8.230 nan 0.000 0.432 28 R N 0.038 120.538 120.500 0.001 0.000 2.115 28 R HA -0.072 4.267 4.340 -0.000 0.000 0.230 28 R C 2.382 178.690 176.300 0.012 0.000 1.111 28 R CA 1.132 57.235 56.100 0.005 0.000 0.976 28 R CB -0.440 29.866 30.300 0.009 0.000 0.870 28 R HN 0.368 nan 8.270 nan 0.000 0.445 29 A N 1.142 123.971 122.820 0.015 0.000 2.014 29 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 29 A C 1.634 179.230 177.584 0.020 0.000 1.163 29 A CA 0.973 53.022 52.037 0.019 0.000 0.652 29 A CB -0.012 19.002 19.000 0.022 0.000 0.808 29 A HN 0.098 nan 8.150 nan 0.000 0.449 30 E N -1.088 119.125 120.200 0.021 0.000 2.482 30 E HA 0.106 4.456 4.350 -0.000 0.000 0.196 30 E C 1.339 177.949 176.600 0.015 0.000 1.047 30 E CA 0.733 57.146 56.400 0.022 0.000 0.869 30 E CB -0.114 29.605 29.700 0.031 0.000 0.836 30 E HN 0.782 nan 8.360 nan 0.000 0.520 31 G N 0.964 109.772 108.800 0.012 0.000 2.176 31 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.232 31 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.232 31 G C 0.542 175.445 174.900 0.004 0.000 0.986 31 G CA 0.071 45.176 45.100 0.009 0.000 0.643 31 G HN 0.300 nan 8.290 nan 0.000 0.522 32 L N 2.252 123.477 121.223 0.004 0.000 2.697 32 L HA 0.159 4.499 4.340 -0.000 0.000 0.239 32 L C 1.961 178.823 176.870 -0.013 0.000 1.430 32 L CA 0.388 55.226 54.840 -0.004 0.000 1.193 32 L CB -0.278 41.780 42.059 -0.001 0.000 1.516 32 L HN 0.178 nan 8.230 nan 0.000 0.439 33 T N 0.301 114.849 114.554 -0.011 0.000 3.139 33 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 33 T C 1.740 176.417 174.700 -0.037 0.000 1.164 33 T CA 1.124 63.215 62.100 -0.015 0.000 1.075 33 T CB 0.021 68.888 68.868 -0.002 0.000 0.904 33 T HN 0.749 nan 8.240 nan 0.000 0.540 34 G N 0.679 109.453 108.800 -0.044 0.000 2.453 34 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.215 34 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.215 34 G C 0.719 175.557 174.900 -0.102 0.000 1.147 34 G CA 0.110 45.169 45.100 -0.068 0.000 0.802 34 G HN 0.427 nan 8.290 nan 0.000 0.535 35 T N 2.154 116.658 114.554 -0.084 0.000 2.901 35 T HA 0.397 4.747 4.350 -0.000 0.000 0.301 35 T C -0.043 174.583 174.700 -0.124 0.000 1.012 35 T CA 0.085 62.125 62.100 -0.100 0.000 1.135 35 T CB 1.472 70.297 68.868 -0.071 0.000 0.936 35 T HN -0.007 nan 8.240 nan 0.000 0.539 36 K N 2.235 122.526 120.400 -0.182 0.000 2.267 36 K HA 0.375 4.695 4.320 -0.000 0.000 0.246 36 K C -0.134 176.425 176.600 -0.069 0.000 0.954 36 K CA -0.758 55.389 56.287 -0.233 0.000 0.824 36 K CB 2.414 34.486 32.500 -0.713 0.000 1.167 36 K HN 0.733 nan 8.250 nan 0.000 0.431 37 E N 0.373 120.612 120.200 0.066 0.000 2.134 37 E HA 0.360 4.710 4.350 -0.000 0.000 0.278 37 E C -0.067 176.666 176.600 0.222 0.000 0.959 37 E CA -0.482 55.983 56.400 0.108 0.000 0.783 37 E CB 1.001 30.752 29.700 0.086 0.000 1.095 37 E HN 0.753 nan 8.360 nan 0.000 0.399 38 G N 2.538 111.443 108.800 0.175 0.000 2.728 38 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.203 38 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.203 38 G C 0.933 175.896 174.900 0.104 0.000 1.073 38 G CA 0.709 45.929 45.100 0.201 0.000 0.778 38 G HN 0.737 nan 8.290 nan 0.000 0.553 39 C N -3.094 116.251 119.300 0.075 0.000 3.984 39 C HA 0.432 4.892 4.460 -0.000 0.000 0.569 39 C C 1.084 176.100 174.990 0.043 0.000 1.383 39 C CA 0.418 59.467 59.018 0.052 0.000 2.516 39 C CB -0.461 27.305 27.740 0.044 0.000 3.723 39 C HN 0.420 nan 8.230 nan 0.000 0.541 40 N N 1.434 120.158 118.700 0.041 0.000 2.741 40 N HA -0.238 4.501 4.740 -0.000 0.000 0.250 40 N C 0.278 175.805 175.510 0.028 0.000 1.115 40 N CA 1.146 54.216 53.050 0.033 0.000 0.724 40 N CB -0.685 37.825 38.487 0.038 0.000 1.090 40 N HN 0.889 nan 8.380 nan 0.000 0.558 41 E N -1.525 118.690 120.200 0.025 0.000 2.743 41 E HA 0.189 4.539 4.350 -0.000 0.000 0.222 41 E C 1.083 177.690 176.600 0.012 0.000 0.959 41 E CA 0.611 57.025 56.400 0.022 0.000 1.198 41 E CB 0.418 30.135 29.700 0.028 0.000 1.100 41 E HN 0.501 nan 8.360 nan 0.000 0.518 42 G N 1.482 110.286 108.800 0.007 0.000 2.268 42 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.240 42 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.240 42 G C 0.696 175.596 174.900 0.000 0.000 1.010 42 G CA 0.613 45.712 45.100 -0.002 0.000 0.618 42 G HN 0.353 nan 8.290 nan 0.000 0.516 43 D N -0.254 120.152 120.400 0.009 0.000 2.234 43 D HA 0.052 4.692 4.640 -0.000 0.000 0.205 43 D C 2.619 178.931 176.300 0.020 0.000 0.962 43 D CA 1.732 55.740 54.000 0.013 0.000 0.855 43 D CB -0.195 40.617 40.800 0.020 0.000 0.951 43 D HN 0.794 nan 8.370 nan 0.000 0.500 44 C N -1.630 117.685 119.300 0.024 0.000 2.485 44 C HA 0.493 4.953 4.460 -0.000 0.000 0.278 44 C C 2.250 177.236 174.990 -0.007 0.000 1.356 44 C CA 0.410 59.449 59.018 0.035 0.000 1.747 44 C CB -0.484 27.296 27.740 0.068 0.000 2.001 44 C HN 0.410 nan 8.230 nan 0.000 0.501 45 G N 0.607 109.385 108.800 -0.037 0.000 2.225 45 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.254 45 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.254 45 G C 1.310 176.153 174.900 -0.095 0.000 0.988 45 G CA 0.855 45.898 45.100 -0.095 0.000 0.625 45 G HN 1.466 nan 8.290 nan 0.000 0.527 46 A N 0.043 122.839 122.820 -0.039 0.000 2.076 46 A HA 0.096 4.416 4.320 -0.000 0.000 0.220 46 A C 2.334 179.867 177.584 -0.084 0.000 1.160 46 A CA 2.414 54.423 52.037 -0.045 0.000 0.653 46 A CB -0.926 18.098 19.000 0.039 0.000 0.801 46 A HN 1.781 nan 8.150 nan 0.000 0.455 47 C N -1.609 117.654 119.300 -0.063 0.000 2.492 47 C HA 0.411 4.871 4.460 -0.000 0.000 0.317 47 C C 0.753 175.698 174.990 -0.075 0.000 1.347 47 C CA -0.756 58.221 59.018 -0.069 0.000 1.759 47 C CB -2.223 25.491 27.740 -0.044 0.000 2.127 47 C HN 0.308 nan 8.230 nan 0.000 0.579 48 T N 2.923 117.425 114.554 -0.087 0.000 2.908 48 T HA 0.378 4.728 4.350 -0.000 0.000 0.301 48 T C 0.444 175.097 174.700 -0.078 0.000 1.019 48 T CA 0.781 62.829 62.100 -0.086 0.000 1.152 48 T CB 0.493 69.298 68.868 -0.105 0.000 0.966 48 T HN 0.842 nan 8.240 nan 0.000 0.540 49 V N 1.433 121.301 119.914 -0.076 0.000 3.141 49 V HA 0.744 4.864 4.120 -0.000 0.000 0.312 49 V C -0.592 175.461 176.094 -0.069 0.000 1.157 49 V CA -1.419 60.837 62.300 -0.073 0.000 1.041 49 V CB 2.382 34.154 31.823 -0.084 0.000 1.071 49 V HN 0.826 nan 8.190 nan 0.000 0.441 50 M N 3.064 122.626 119.600 -0.064 0.000 2.181 50 M HA 0.662 5.141 4.480 -0.000 0.000 0.323 50 M C -0.914 175.349 176.300 -0.062 0.000 1.004 50 M CA -0.769 54.497 55.300 -0.056 0.000 0.941 50 M CB 1.300 33.874 32.600 -0.042 0.000 1.579 50 M HN 0.874 nan 8.290 nan 0.000 0.427 51 I N 1.471 122.002 120.570 -0.065 0.000 2.707 51 I HA 0.724 4.894 4.170 -0.000 0.000 0.309 51 I C -0.858 175.234 176.117 -0.042 0.000 1.001 51 I CA -0.900 60.359 61.300 -0.068 0.000 1.129 51 I CB 1.847 39.796 38.000 -0.085 0.000 1.308 51 I HN 0.774 nan 8.210 nan 0.000 0.466 52 R N 2.515 122.998 120.500 -0.028 0.000 2.651 52 R HA 0.458 4.797 4.340 -0.000 0.000 0.278 52 R C -1.982 174.333 176.300 0.025 0.000 1.010 52 R CA -0.282 55.817 56.100 -0.003 0.000 0.896 52 R CB 2.012 32.317 30.300 0.009 0.000 1.211 52 R HN 1.037 nan 8.270 nan 0.000 0.456 53 D N 2.506 122.922 120.400 0.027 0.000 3.236 53 D HA 0.221 4.861 4.640 -0.000 0.000 0.325 53 D C 0.354 176.674 176.300 0.032 0.000 1.352 53 D CA -0.060 53.969 54.000 0.047 0.000 0.979 53 D CB 0.047 40.863 40.800 0.027 0.000 1.410 53 D HN 0.372 nan 8.370 nan 0.000 0.588 54 A N 0.050 122.886 122.820 0.026 0.000 1.902 54 A HA 0.205 4.525 4.320 -0.000 0.000 0.217 54 A C 2.134 179.721 177.584 0.004 0.000 1.181 54 A CA 2.853 54.899 52.037 0.015 0.000 0.623 54 A CB -1.378 17.628 19.000 0.010 0.000 0.818 54 A HN 0.800 nan 8.150 nan 0.000 0.443 55 A N -1.777 121.040 122.820 -0.006 0.000 2.172 55 A HA 0.410 4.730 4.320 -0.000 0.000 0.216 55 A C 1.593 179.170 177.584 -0.012 0.000 1.154 55 A CA 1.781 53.810 52.037 -0.014 0.000 0.701 55 A CB -0.862 18.122 19.000 -0.026 0.000 0.789 55 A HN 2.039 nan 8.150 nan 0.000 0.465 56 G N -1.505 107.291 108.800 -0.006 0.000 2.295 56 G HA2 0.277 4.237 3.960 -0.000 0.000 0.195 56 G HA3 0.277 4.237 3.960 -0.000 0.000 0.195 56 G C -0.111 174.783 174.900 -0.009 0.000 1.269 56 G CA 0.203 45.299 45.100 -0.006 0.000 1.170 56 G HN 1.680 nan 8.290 nan 0.000 0.511 57 S N -0.467 115.225 115.700 -0.013 0.000 2.542 57 S HA 0.925 5.395 4.470 -0.000 0.000 0.293 57 S C -0.416 174.169 174.600 -0.023 0.000 1.089 57 S CA -0.085 58.105 58.200 -0.017 0.000 0.961 57 S CB 2.422 65.616 63.200 -0.011 0.000 1.062 57 S HN 1.299 nan 8.310 nan 0.000 0.483 58 R N 0.779 121.260 120.500 -0.031 0.000 2.764 58 R HA 0.819 5.159 4.340 -0.000 0.000 0.270 58 R C -1.265 175.011 176.300 -0.040 0.000 1.014 58 R CA -1.175 54.905 56.100 -0.034 0.000 0.904 58 R CB 1.416 31.693 30.300 -0.039 0.000 1.236 58 R HN 0.800 nan 8.270 nan 0.000 0.466 59 A N 1.198 123.995 122.820 -0.039 0.000 2.290 59 A HA 0.657 4.977 4.320 -0.000 0.000 0.310 59 A C 0.063 177.616 177.584 -0.052 0.000 1.202 59 A CA -0.568 51.441 52.037 -0.047 0.000 0.837 59 A CB 0.644 19.617 19.000 -0.045 0.000 1.139 59 A HN 0.630 nan 8.150 nan 0.000 0.509 60 V N 0.425 120.303 119.914 -0.061 0.000 3.141 60 V HA 0.571 4.691 4.120 -0.000 0.000 0.312 60 V C -0.569 175.486 176.094 -0.065 0.000 1.157 60 V CA -1.464 60.799 62.300 -0.061 0.000 1.041 60 V CB 2.058 33.839 31.823 -0.069 0.000 1.071 60 V HN 0.736 nan 8.190 nan 0.000 0.441 61 N N 1.684 120.349 118.700 -0.058 0.000 2.406 61 N HA 0.335 5.075 4.740 -0.000 0.000 0.251 61 N C 1.071 176.544 175.510 -0.061 0.000 1.069 61 N CA 0.404 53.421 53.050 -0.056 0.000 0.947 61 N CB 1.795 40.257 38.487 -0.042 0.000 1.111 61 N HN 1.028 nan 8.380 nan 0.000 0.497 62 A N 1.582 124.362 122.820 -0.067 0.000 2.186 62 A HA -0.179 4.140 4.320 -0.000 0.000 0.219 62 A C 2.194 179.745 177.584 -0.055 0.000 1.159 62 A CA 1.029 53.023 52.037 -0.072 0.000 0.680 62 A CB -0.616 18.339 19.000 -0.074 0.000 0.787 62 A HN 0.889 nan 8.150 nan 0.000 0.467 63 C N -2.459 116.817 119.300 -0.039 0.000 2.485 63 C HA 0.321 4.780 4.460 -0.000 0.000 0.277 63 C C 1.877 176.853 174.990 -0.023 0.000 1.376 63 C CA 0.360 59.365 59.018 -0.023 0.000 1.759 63 C CB -1.314 26.421 27.740 -0.008 0.000 1.970 63 C HN 0.432 nan 8.230 nan 0.000 0.509 64 L N 0.168 121.371 121.223 -0.034 0.000 2.667 64 L HA 0.368 4.708 4.340 -0.000 0.000 0.232 64 L C 0.668 177.508 176.870 -0.049 0.000 1.138 64 L CA 0.162 54.980 54.840 -0.037 0.000 0.921 64 L CB -0.211 41.826 42.059 -0.037 0.000 1.180 64 L HN 0.456 nan 8.230 nan 0.000 0.487 65 M N 1.513 121.076 119.600 -0.061 0.000 2.253 65 M HA 0.462 4.942 4.480 -0.000 0.000 0.314 65 M C -0.814 175.430 176.300 -0.094 0.000 1.019 65 M CA -0.444 54.803 55.300 -0.087 0.000 0.932 65 M CB 1.838 34.371 32.600 -0.112 0.000 1.606 65 M HN -0.061 nan 8.290 nan 0.000 0.430 66 M N 4.107 123.644 119.600 -0.105 0.000 2.342 66 M HA 0.250 4.730 4.480 -0.000 0.000 0.332 66 M C 0.768 176.953 176.300 -0.192 0.000 1.166 66 M CA -0.530 54.715 55.300 -0.093 0.000 1.086 66 M CB 1.090 33.700 32.600 0.017 0.000 1.541 66 M HN 0.859 nan 8.290 nan 0.000 0.462 67 L N 1.806 122.946 121.223 -0.137 0.000 1.978 67 L HA -0.198 4.142 4.340 -0.000 0.000 0.218 67 L C -0.462 176.273 176.870 -0.225 0.000 1.075 67 L CA 2.262 57.006 54.840 -0.160 0.000 0.767 67 L CB -1.629 40.393 42.059 -0.062 0.000 0.890 67 L HN 0.570 nan 8.230 nan 0.000 0.434 68 P HA -0.263 nan 4.420 nan 0.000 0.219 68 P C 1.274 178.352 177.300 -0.370 0.000 1.153 68 P CA 1.557 64.446 63.100 -0.352 0.000 0.865 68 P CB -0.042 31.292 31.700 -0.611 0.000 0.788 69 Q N -1.045 118.452 119.800 -0.505 0.000 2.364 69 Q HA -0.090 4.250 4.340 -0.000 0.000 0.209 69 Q C 1.586 177.494 176.000 -0.154 0.000 0.977 69 Q CA 0.756 56.368 55.803 -0.318 0.000 0.885 69 Q CB -0.513 28.009 28.738 -0.359 0.000 0.941 69 Q HN 0.429 nan 8.270 nan 0.000 0.464 70 I N -3.490 116.978 120.570 -0.170 0.000 3.891 70 I HA 0.380 4.550 4.170 -0.000 0.000 0.331 70 I C 0.174 176.286 176.117 -0.010 0.000 1.406 70 I CA -0.719 60.486 61.300 -0.159 0.000 1.139 70 I CB 0.219 37.994 38.000 -0.376 0.000 1.056 70 I HN -0.210 nan 8.210 nan 0.000 0.399 71 A N 1.669 124.538 122.820 0.082 0.000 2.522 71 A HA 0.469 4.789 4.320 -0.000 0.000 0.256 71 A C 1.527 179.235 177.584 0.207 0.000 1.086 71 A CA 0.535 52.653 52.037 0.134 0.000 0.763 71 A CB -0.688 18.298 19.000 -0.023 0.000 1.024 71 A HN 1.208 nan 8.150 nan 0.000 0.502 72 G N 2.072 111.048 108.800 0.293 0.000 2.143 72 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.248 72 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.248 72 G C 0.152 175.304 174.900 0.421 0.000 0.991 72 G CA 0.873 46.199 45.100 0.377 0.000 0.689 72 G HN 0.860 nan 8.290 nan 0.000 0.522 73 K N -0.448 120.123 120.400 0.286 0.000 2.306 73 K HA 0.819 5.139 4.320 -0.000 0.000 0.236 73 K C 0.002 176.603 176.600 0.002 0.000 1.013 73 K CA -0.306 56.074 56.287 0.155 0.000 0.857 73 K CB 2.012 34.538 32.500 0.042 0.000 1.214 73 K HN 0.523 nan 8.250 nan 0.000 0.449 74 A N 1.367 124.166 122.820 -0.035 0.000 2.305 74 A HA 0.569 4.889 4.320 -0.000 0.000 0.322 74 A C -1.237 176.295 177.584 -0.087 0.000 1.187 74 A CA -0.596 51.355 52.037 -0.144 0.000 0.825 74 A CB 0.478 19.418 19.000 -0.101 0.000 1.164 74 A HN 0.564 nan 8.150 nan 0.000 0.498 75 L N 1.934 123.105 121.223 -0.086 0.000 2.356 75 L HA 0.860 5.200 4.340 -0.000 0.000 0.277 75 L C -0.469 176.375 176.870 -0.044 0.000 0.996 75 L CA -0.364 54.422 54.840 -0.090 0.000 0.822 75 L CB 1.673 43.627 42.059 -0.174 0.000 1.256 75 L HN 0.692 nan 8.230 nan 0.000 0.413 76 R N 2.215 122.691 120.500 -0.040 0.000 2.513 76 R HA 0.723 5.063 4.340 -0.000 0.000 0.301 76 R C -0.551 175.737 176.300 -0.021 0.000 0.968 76 R CA 0.025 56.119 56.100 -0.010 0.000 0.872 76 R CB 1.622 31.926 30.300 0.007 0.000 1.177 76 R HN 0.889 nan 8.270 nan 0.000 0.444 77 T N 0.267 114.814 114.554 -0.012 0.000 2.919 77 T HA 0.258 4.608 4.350 -0.000 0.000 0.282 77 T C 1.105 175.797 174.700 -0.012 0.000 1.020 77 T CA -0.754 61.332 62.100 -0.024 0.000 0.994 77 T CB 0.771 69.622 68.868 -0.028 0.000 1.180 77 T HN 0.396 nan 8.240 nan 0.000 0.566 78 I N 1.453 122.008 120.570 -0.025 0.000 2.335 78 I HA -0.145 4.025 4.170 -0.000 0.000 0.251 78 I C 2.298 178.415 176.117 0.000 0.000 1.129 78 I CA 1.622 62.912 61.300 -0.018 0.000 1.402 78 I CB -0.683 37.297 38.000 -0.033 0.000 1.069 78 I HN 0.791 nan 8.210 nan 0.000 0.424 79 E N -0.467 119.731 120.200 -0.004 0.000 2.347 79 E HA -0.020 4.330 4.350 -0.000 0.000 0.196 79 E C 1.611 178.220 176.600 0.014 0.000 1.008 79 E CA 0.944 57.345 56.400 0.000 0.000 0.852 79 E CB -0.489 29.207 29.700 -0.007 0.000 0.783 79 E HN 0.574 nan 8.360 nan 0.000 0.505 80 G N 1.136 109.956 108.800 0.033 0.000 3.805 80 G HA2 0.229 4.189 3.960 -0.000 0.000 0.290 80 G HA3 0.229 4.189 3.960 -0.000 0.000 0.290 80 G C 1.005 175.992 174.900 0.145 0.000 1.077 80 G CA -0.381 44.756 45.100 0.062 0.000 0.852 80 G HN 0.035 nan 8.290 nan 0.000 0.531 81 I N 0.808 121.463 120.570 0.141 0.000 3.030 81 I HA 0.159 4.329 4.170 -0.000 0.000 0.270 81 I C 1.781 178.159 176.117 0.435 0.000 1.211 81 I CA 0.298 61.738 61.300 0.234 0.000 1.479 81 I CB -0.250 37.797 38.000 0.079 0.000 1.105 81 I HN 0.199 nan 8.210 nan 0.000 0.447 82 A N 1.109 124.070 122.820 0.234 0.000 2.287 82 A HA 0.639 4.959 4.320 -0.000 0.000 0.273 82 A C 0.514 177.911 177.584 -0.312 0.000 1.091 82 A CA -0.124 51.991 52.037 0.129 0.000 0.817 82 A CB 0.317 19.312 19.000 -0.009 0.000 1.069 82 A HN 0.255 nan 8.150 nan 0.000 0.492 83 A N 1.340 123.512 122.820 -1.081 0.000 2.386 83 A HA 0.528 4.848 4.320 -0.000 0.000 0.248 83 A C -1.367 175.743 177.584 -0.790 0.000 1.082 83 A CA -1.037 49.857 52.037 -1.905 0.000 0.789 83 A CB -0.426 17.341 19.000 -2.054 0.000 1.025 83 A HN 0.575 nan 8.150 nan 0.000 0.490 84 P HA -0.208 nan 4.420 nan 0.000 0.216 84 P C 0.500 177.658 177.300 -0.236 0.000 1.153 84 P CA 1.977 64.903 63.100 -0.289 0.000 0.858 84 P CB -0.170 31.414 31.700 -0.194 0.000 0.789 85 D N -2.722 117.523 120.400 -0.259 0.000 2.352 85 D HA 0.138 4.778 4.640 -0.000 0.000 0.232 85 D C 1.348 177.548 176.300 -0.167 0.000 1.055 85 D CA 0.685 54.579 54.000 -0.176 0.000 0.891 85 D CB -0.700 40.017 40.800 -0.139 0.000 0.897 85 D HN 0.243 nan 8.370 nan 0.000 0.529 86 G N 0.108 108.783 108.800 -0.208 0.000 2.232 86 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.226 86 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.226 86 G C 0.418 175.232 174.900 -0.143 0.000 0.996 86 G CA -0.313 44.697 45.100 -0.149 0.000 0.626 86 G HN 0.382 nan 8.290 nan 0.000 0.509 87 R N 0.600 120.985 120.500 -0.192 0.000 2.585 87 R HA 0.424 4.764 4.340 -0.000 0.000 0.275 87 R C 0.912 177.168 176.300 -0.075 0.000 1.018 87 R CA 0.107 56.133 56.100 -0.124 0.000 1.072 87 R CB 0.152 30.366 30.300 -0.144 0.000 0.953 87 R HN 0.363 nan 8.270 nan 0.000 0.419 88 L N 2.952 124.196 121.223 0.034 0.000 2.395 88 L HA 0.180 4.520 4.340 -0.000 0.000 0.269 88 L C 0.956 177.977 176.870 0.252 0.000 1.133 88 L CA -0.558 54.353 54.840 0.118 0.000 0.812 88 L CB 0.589 42.699 42.059 0.085 0.000 1.125 88 L HN 0.543 nan 8.230 nan 0.000 0.452 89 H N 3.527 122.740 119.070 0.238 0.000 2.790 89 H HA 0.056 4.612 4.556 -0.000 0.000 0.358 89 H C -1.902 173.452 175.328 0.044 0.000 1.103 89 H CA -1.448 54.717 56.048 0.194 0.000 1.426 89 H CB 1.701 31.540 29.762 0.129 0.000 1.424 89 H HN 0.320 nan 8.280 nan 0.000 0.599 90 P HA -0.177 nan 4.420 nan 0.000 0.216 90 P C 1.757 179.162 177.300 0.176 0.000 1.150 90 P CA 1.001 64.132 63.100 0.051 0.000 0.843 90 P CB 0.260 31.916 31.700 -0.073 0.000 0.787 91 V N -0.299 119.818 119.914 0.339 0.000 2.332 91 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 91 V C 2.508 178.664 176.094 0.103 0.000 1.055 91 V CA 1.840 64.233 62.300 0.155 0.000 1.038 91 V CB -1.291 30.540 31.823 0.014 0.000 0.651 91 V HN 0.199 nan 8.190 nan 0.000 0.450 92 Q N -0.736 119.137 119.800 0.122 0.000 1.985 92 Q HA -0.294 4.046 4.340 -0.000 0.000 0.207 92 Q C 2.503 178.544 176.000 0.068 0.000 0.996 92 Q CA 1.894 57.747 55.803 0.085 0.000 0.851 92 Q CB -0.377 28.424 28.738 0.106 0.000 0.921 92 Q HN 0.453 nan 8.270 nan 0.000 0.418 93 Q N 0.231 120.078 119.800 0.078 0.000 2.077 93 Q HA -0.188 4.152 4.340 -0.000 0.000 0.206 93 Q C 2.038 178.066 176.000 0.046 0.000 0.989 93 Q CA 1.934 57.765 55.803 0.046 0.000 0.853 93 Q CB -0.628 28.140 28.738 0.051 0.000 0.907 93 Q HN 0.426 nan 8.270 nan 0.000 0.418 94 A N 0.659 123.533 122.820 0.089 0.000 1.873 94 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 94 A C 2.082 179.740 177.584 0.123 0.000 1.193 94 A CA 2.330 54.457 52.037 0.151 0.000 0.629 94 A CB -0.632 18.451 19.000 0.139 0.000 0.826 94 A HN 0.404 nan 8.150 nan 0.000 0.447 95 M N -0.509 119.129 119.600 0.064 0.000 2.144 95 M HA -0.145 4.335 4.480 -0.000 0.000 0.260 95 M C 2.165 178.451 176.300 -0.024 0.000 1.067 95 M CA 1.387 56.704 55.300 0.027 0.000 1.095 95 M CB -1.268 31.339 32.600 0.012 0.000 1.365 95 M HN 0.473 nan 8.290 nan 0.000 0.406 96 I N 0.291 120.835 120.570 -0.043 0.000 2.163 96 I HA -0.280 3.890 4.170 -0.000 0.000 0.240 96 I C 1.942 177.900 176.117 -0.264 0.000 1.081 96 I CA 1.201 62.426 61.300 -0.124 0.000 1.353 96 I CB -0.744 37.203 38.000 -0.089 0.000 1.054 96 I HN 0.259 nan 8.210 nan 0.000 0.407 97 D N 0.041 120.311 120.400 -0.217 0.000 2.178 97 D HA -0.182 4.458 4.640 -0.000 0.000 0.201 97 D C 1.756 177.738 176.300 -0.531 0.000 0.980 97 D CA 1.359 55.137 54.000 -0.369 0.000 0.842 97 D CB -0.395 40.196 40.800 -0.347 0.000 0.948 97 D HN 0.495 nan 8.370 nan 0.000 0.472 98 H N -0.136 118.848 119.070 -0.143 0.000 2.526 98 H HA 0.051 4.607 4.556 -0.000 0.000 0.274 98 H C 0.103 175.480 175.328 0.081 0.000 0.999 98 H CA 0.205 56.252 56.048 -0.002 0.000 1.157 98 H CB 0.127 29.890 29.762 0.001 0.000 1.407 98 H HN 0.329 nan 8.280 nan 0.000 0.568 99 H N -1.072 118.023 119.070 0.040 0.000 2.862 99 H HA -0.118 4.438 4.556 -0.000 0.000 0.290 99 H C 1.533 176.858 175.328 -0.004 0.000 1.211 99 H CA 0.633 56.686 56.048 0.009 0.000 1.140 99 H CB -1.746 28.018 29.762 0.002 0.000 1.341 99 H HN 0.533 nan 8.280 nan 0.000 0.392 100 G N 0.553 109.384 108.800 0.051 0.000 2.990 100 G HA2 0.139 4.099 3.960 -0.000 0.000 0.206 100 G HA3 0.139 4.099 3.960 -0.000 0.000 0.206 100 G C 0.648 175.514 174.900 -0.058 0.000 1.169 100 G CA 0.752 45.837 45.100 -0.025 0.000 0.819 100 G HN 0.592 nan 8.290 nan 0.000 0.517 101 S N -2.273 113.422 115.700 -0.010 0.000 2.541 101 S HA 0.601 5.071 4.470 -0.000 0.000 0.271 101 S C -0.225 174.385 174.600 0.016 0.000 1.133 101 S CA -0.708 57.487 58.200 -0.009 0.000 0.876 101 S CB 2.423 65.628 63.200 0.007 0.000 1.105 101 S HN 0.113 nan 8.310 nan 0.000 0.470 102 Q N 0.187 119.994 119.800 0.013 0.000 2.361 102 Q HA 0.129 4.469 4.340 -0.000 0.000 0.182 102 Q C 2.146 178.164 176.000 0.030 0.000 0.650 102 Q CA 0.745 56.560 55.803 0.018 0.000 0.842 102 Q CB -0.074 28.663 28.738 -0.002 0.000 1.211 102 Q HN 0.995 nan 8.270 nan 0.000 0.502 103 C N -0.649 118.673 119.300 0.037 0.000 2.468 103 C HA 0.456 4.916 4.460 -0.000 0.000 0.277 103 C C 1.728 176.778 174.990 0.100 0.000 1.400 103 C CA 0.668 59.722 59.018 0.060 0.000 1.770 103 C CB -0.549 27.223 27.740 0.053 0.000 1.905 103 C HN 0.832 nan 8.230 nan 0.000 0.519 104 G N -0.130 108.731 108.800 0.102 0.000 2.317 104 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.227 104 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.227 104 G C 0.599 175.585 174.900 0.144 0.000 1.042 104 G CA 0.499 45.661 45.100 0.104 0.000 0.623 104 G HN 0.483 nan 8.290 nan 0.000 0.509 105 F N 2.154 122.125 119.950 0.036 0.000 2.192 105 F HA -0.140 4.387 4.527 -0.000 0.000 0.301 105 F C 2.929 178.768 175.800 0.066 0.000 1.079 105 F CA 2.784 60.809 58.000 0.042 0.000 1.303 105 F CB -0.175 38.844 39.000 0.032 0.000 1.024 105 F HN 0.629 nan 8.300 nan 0.000 0.494 106 C N -2.730 116.712 119.300 0.237 0.000 2.563 106 C HA 0.109 4.569 4.460 -0.000 0.000 0.268 106 C C 2.503 177.630 174.990 0.229 0.000 1.365 106 C CA 0.483 59.638 59.018 0.228 0.000 1.754 106 C CB -1.420 26.552 27.740 0.386 0.000 1.932 106 C HN 0.358 nan 8.230 nan 0.000 0.536 107 T N 3.248 117.901 114.554 0.164 0.000 2.635 107 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 107 T C -0.268 174.492 174.700 0.101 0.000 1.040 107 T CA 2.771 64.959 62.100 0.146 0.000 1.156 107 T CB -1.381 67.530 68.868 0.073 0.000 0.863 107 T HN 0.425 nan 8.240 nan 0.000 0.430 108 P HA -0.086 nan 4.420 nan 0.000 0.216 108 P C 1.645 178.930 177.300 -0.025 0.000 1.153 108 P CA 1.375 64.459 63.100 -0.026 0.000 0.858 108 P CB -0.452 31.193 31.700 -0.090 0.000 0.789 109 G N -2.279 106.494 108.800 -0.045 0.000 2.421 109 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 109 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 109 G C 1.312 176.145 174.900 -0.112 0.000 1.143 109 G CA 0.157 45.197 45.100 -0.100 0.000 0.784 109 G HN 0.179 nan 8.290 nan 0.000 0.541 110 F N 0.684 120.635 119.950 0.000 0.000 2.084 110 F HA 0.022 4.549 4.527 -0.000 0.000 0.296 110 F C 2.604 178.401 175.800 -0.003 0.000 1.111 110 F CA 0.525 58.536 58.000 0.019 0.000 1.224 110 F CB 0.036 39.058 39.000 0.037 0.000 0.991 110 F HN -0.023 nan 8.300 nan 0.000 0.471 111 I N -0.284 120.375 120.570 0.148 0.000 2.194 111 I HA -0.255 3.915 4.170 -0.000 0.000 0.246 111 I C 2.382 178.484 176.117 -0.025 0.000 1.093 111 I CA 1.226 62.551 61.300 0.043 0.000 1.355 111 I CB -1.484 36.521 38.000 0.009 0.000 1.046 111 I HN -0.016 nan 8.210 nan 0.000 0.413 112 V N -0.298 119.598 119.914 -0.030 0.000 2.307 112 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 112 V C 2.639 178.705 176.094 -0.047 0.000 1.045 112 V CA 1.842 64.108 62.300 -0.057 0.000 1.024 112 V CB -0.645 31.143 31.823 -0.058 0.000 0.651 112 V HN 0.354 nan 8.190 nan 0.000 0.449 113 S N -0.946 114.731 115.700 -0.037 0.000 2.400 113 S HA -0.189 4.281 4.470 -0.000 0.000 0.232 113 S C 1.960 176.584 174.600 0.039 0.000 1.025 113 S CA 1.759 59.947 58.200 -0.020 0.000 0.993 113 S CB -0.268 62.897 63.200 -0.057 0.000 0.808 113 S HN 0.458 nan 8.310 nan 0.000 0.478 114 M N 0.220 119.859 119.600 0.066 0.000 2.123 114 M HA -0.033 4.446 4.480 -0.000 0.000 0.263 114 M C 2.414 178.749 176.300 0.060 0.000 1.069 114 M CA 1.285 56.654 55.300 0.114 0.000 1.133 114 M CB -0.480 32.193 32.600 0.121 0.000 1.356 114 M HN 0.413 nan 8.290 nan 0.000 0.415 115 A N 0.673 123.442 122.820 -0.086 0.000 1.851 115 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 115 A C 2.352 179.932 177.584 -0.007 0.000 1.195 115 A CA 2.216 54.139 52.037 -0.190 0.000 0.622 115 A CB -1.290 17.477 19.000 -0.389 0.000 0.831 115 A HN 0.498 nan 8.150 nan 0.000 0.444 116 A N -0.221 122.589 122.820 -0.016 0.000 1.940 116 A HA -0.062 4.258 4.320 -0.000 0.000 0.221 116 A C 2.524 180.135 177.584 0.044 0.000 1.190 116 A CA 2.970 55.011 52.037 0.008 0.000 0.647 116 A CB -1.219 17.775 19.000 -0.009 0.000 0.821 116 A HN 1.305 nan 8.150 nan 0.000 0.457 117 A N -1.841 121.020 122.820 0.068 0.000 1.902 117 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 117 A C 2.160 179.807 177.584 0.104 0.000 1.181 117 A CA 1.818 53.898 52.037 0.071 0.000 0.623 117 A CB -0.889 18.179 19.000 0.114 0.000 0.818 117 A HN 0.757 nan 8.150 nan 0.000 0.443 118 H N -0.322 118.783 119.070 0.057 0.000 2.389 118 H HA -0.142 4.413 4.556 -0.000 0.000 0.299 118 H C 1.822 177.172 175.328 0.037 0.000 1.081 118 H CA 1.954 58.049 56.048 0.078 0.000 1.345 118 H CB -0.247 29.603 29.762 0.146 0.000 1.393 118 H HN 0.519 nan 8.280 nan 0.000 0.520 119 D N 0.314 120.845 120.400 0.219 0.000 2.123 119 D HA -0.133 4.507 4.640 -0.000 0.000 0.196 119 D C 1.645 177.967 176.300 0.036 0.000 0.992 119 D CA 1.124 55.193 54.000 0.115 0.000 0.833 119 D CB -0.030 40.805 40.800 0.058 0.000 0.954 119 D HN 0.232 nan 8.370 nan 0.000 0.455 120 R N -0.234 120.273 120.500 0.012 0.000 2.515 120 R HA 0.111 4.451 4.340 -0.000 0.000 0.294 120 R C -0.208 176.063 176.300 -0.049 0.000 1.021 120 R CA 0.157 56.245 56.100 -0.021 0.000 1.081 120 R CB 0.183 30.469 30.300 -0.024 0.000 1.263 120 R HN 0.093 nan 8.270 nan 0.000 0.557 121 D N 1.062 121.419 120.400 -0.072 0.000 2.792 121 D HA -0.193 4.447 4.640 -0.000 0.000 0.231 121 D C -0.517 175.718 176.300 -0.108 0.000 1.160 121 D CA 0.772 54.703 54.000 -0.116 0.000 0.697 121 D CB -0.055 40.683 40.800 -0.103 0.000 1.070 121 D HN 0.015 nan 8.370 nan 0.000 0.426 122 R N 0.080 120.517 120.500 -0.104 0.000 2.441 122 R HA 0.318 4.658 4.340 -0.000 0.000 0.284 122 R C 0.975 177.110 176.300 -0.275 0.000 1.070 122 R CA 0.075 56.084 56.100 -0.151 0.000 1.047 122 R CB 0.862 31.087 30.300 -0.126 0.000 1.016 122 R HN 0.246 nan 8.270 nan 0.000 0.477 123 K N 0.904 121.082 120.400 -0.370 0.000 2.564 123 K HA 0.055 4.375 4.320 -0.000 0.000 0.201 123 K C -0.564 175.605 176.600 -0.719 0.000 1.086 123 K CA -0.038 55.841 56.287 -0.680 0.000 1.062 123 K CB 0.821 33.143 32.500 -0.297 0.000 0.849 123 K HN 0.487 nan 8.250 nan 0.000 0.529 124 D N 0.553 120.674 120.400 -0.465 0.000 2.631 124 D HA 0.003 4.643 4.640 -0.000 0.000 0.227 124 D C 0.568 176.731 176.300 -0.229 0.000 1.146 124 D CA -0.432 53.404 54.000 -0.274 0.000 1.009 124 D CB -0.307 40.407 40.800 -0.144 0.000 1.057 124 D HN 0.102 nan 8.370 nan 0.000 0.509 125 Y N 0.859 121.163 120.300 0.006 0.000 2.069 125 Y HA -0.314 4.236 4.550 -0.000 0.000 0.278 125 Y C 1.963 177.874 175.900 0.019 0.000 1.175 125 Y CA 1.486 59.599 58.100 0.022 0.000 1.134 125 Y CB -0.194 38.282 38.460 0.026 0.000 0.965 125 Y HN 0.186 nan 8.280 nan 0.000 0.498 126 D N 0.164 120.653 120.400 0.148 0.000 2.154 126 D HA -0.200 4.440 4.640 -0.000 0.000 0.190 126 D C 1.646 177.969 176.300 0.038 0.000 1.003 126 D CA 1.903 55.941 54.000 0.063 0.000 0.849 126 D CB -0.474 40.340 40.800 0.023 0.000 0.942 126 D HN 0.457 nan 8.370 nan 0.000 0.446 127 D N -0.162 120.248 120.400 0.017 0.000 2.162 127 D HA -0.079 4.561 4.640 -0.000 0.000 0.203 127 D C 2.180 178.490 176.300 0.016 0.000 0.967 127 D CA 0.147 54.152 54.000 0.009 0.000 0.840 127 D CB -0.142 40.655 40.800 -0.006 0.000 0.972 127 D HN 0.114 nan 8.370 nan 0.000 0.482 128 L N 0.317 121.550 121.223 0.016 0.000 2.265 128 L HA -0.064 4.276 4.340 -0.000 0.000 0.215 128 L C 2.034 178.936 176.870 0.053 0.000 1.117 128 L CA 1.159 56.014 54.840 0.026 0.000 0.782 128 L CB -0.696 41.380 42.059 0.028 0.000 0.914 128 L HN 0.066 nan 8.230 nan 0.000 0.441 129 L N -2.124 119.152 121.223 0.089 0.000 2.906 129 L HA 0.253 4.592 4.340 -0.000 0.000 0.255 129 L C 2.172 179.071 176.870 0.049 0.000 1.166 129 L CA 0.129 55.028 54.840 0.099 0.000 0.977 129 L CB -0.194 42.031 42.059 0.277 0.000 1.313 129 L HN 0.051 nan 8.230 nan 0.000 0.549 130 A N 0.897 123.731 122.820 0.023 0.000 1.903 130 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 130 A C 2.103 179.690 177.584 0.005 0.000 1.191 130 A CA 2.063 54.104 52.037 0.006 0.000 0.638 130 A CB -0.996 18.014 19.000 0.016 0.000 0.823 130 A HN 0.434 nan 8.150 nan 0.000 0.451 131 G N -0.965 107.826 108.800 -0.015 0.000 3.155 131 G HA2 0.210 4.170 3.960 -0.000 0.000 0.213 131 G HA3 0.210 4.170 3.960 -0.000 0.000 0.213 131 G C -0.075 174.767 174.900 -0.098 0.000 1.196 131 G CA 0.007 45.086 45.100 -0.035 0.000 0.846 131 G HN 0.530 nan 8.290 nan 0.000 0.516 132 N N -0.136 118.477 118.700 -0.145 0.000 2.442 132 N HA 0.558 5.298 4.740 -0.000 0.000 0.274 132 N C -0.830 174.705 175.510 0.041 0.000 1.002 132 N CA -0.389 52.427 53.050 -0.390 0.000 0.910 132 N CB 2.300 39.983 38.487 -1.339 0.000 1.244 132 N HN -0.036 nan 8.380 nan 0.000 0.492 133 L N 0.980 122.301 121.223 0.163 0.000 2.331 133 L HA 0.705 5.045 4.340 -0.000 0.000 0.275 133 L C -0.576 176.542 176.870 0.414 0.000 1.022 133 L CA -0.953 54.108 54.840 0.370 0.000 0.812 133 L CB 1.644 43.839 42.059 0.226 0.000 1.257 133 L HN 0.532 nan 8.230 nan 0.000 0.435 134 C N 2.048 121.527 119.300 0.299 0.000 2.608 134 C HA 0.488 4.948 4.460 -0.000 0.000 0.325 134 C C 0.816 175.726 174.990 -0.134 0.000 1.147 134 C CA -0.620 58.431 59.018 0.054 0.000 1.359 134 C CB 1.738 29.452 27.740 -0.044 0.000 1.912 134 C HN 0.973 nan 8.230 nan 0.000 0.466 135 R N 2.502 122.972 120.500 -0.051 0.000 2.223 135 R HA 0.233 4.573 4.340 -0.000 0.000 0.198 135 R C 1.570 177.810 176.300 -0.099 0.000 0.984 135 R CA 1.632 57.695 56.100 -0.062 0.000 1.018 135 R CB -0.765 29.527 30.300 -0.013 0.000 0.945 135 R HN 0.881 nan 8.270 nan 0.000 0.479 136 C N -1.019 118.219 119.300 -0.103 0.000 2.505 136 C HA 0.080 4.539 4.460 -0.000 0.000 0.279 136 C C 2.311 177.226 174.990 -0.124 0.000 1.316 136 C CA 1.267 60.231 59.018 -0.090 0.000 1.720 136 C CB -0.392 27.316 27.740 -0.053 0.000 2.050 136 C HN 0.686 nan 8.230 nan 0.000 0.493 137 T N -3.245 111.190 114.554 -0.199 0.000 3.014 137 T HA 0.377 4.727 4.350 -0.000 0.000 0.250 137 T C 1.505 176.104 174.700 -0.168 0.000 1.060 137 T CA 1.322 63.321 62.100 -0.167 0.000 1.040 137 T CB 0.191 68.952 68.868 -0.179 0.000 0.971 137 T HN 0.886 nan 8.240 nan 0.000 0.497 138 G N 0.481 109.121 108.800 -0.267 0.000 2.175 138 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.244 138 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.244 138 G C 0.590 175.508 174.900 0.031 0.000 0.982 138 G CA 0.302 45.340 45.100 -0.104 0.000 0.641 138 G HN 0.606 nan 8.290 nan 0.000 0.527 139 Y N -2.378 117.889 120.300 -0.054 0.000 3.021 139 Y HA -0.391 4.159 4.550 -0.000 0.000 0.469 139 Y C 2.822 178.672 175.900 -0.084 0.000 1.266 139 Y CA 2.519 60.570 58.100 -0.082 0.000 2.486 139 Y CB -1.875 36.577 38.460 -0.013 0.000 0.892 139 Y HN 1.206 nan 8.280 nan 0.000 0.506 140 A N 0.360 123.236 122.820 0.093 0.000 1.903 140 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 140 A C -0.204 177.374 177.584 -0.010 0.000 1.191 140 A CA 2.435 54.494 52.037 0.036 0.000 0.638 140 A CB -1.689 17.329 19.000 0.030 0.000 0.823 140 A HN 0.503 nan 8.150 nan 0.000 0.451 141 P HA -0.039 nan 4.420 nan 0.000 0.222 141 P C 1.417 178.678 177.300 -0.065 0.000 1.153 141 P CA 0.760 63.854 63.100 -0.009 0.000 0.798 141 P CB -0.151 31.566 31.700 0.028 0.000 0.796 142 I N -0.681 119.827 120.570 -0.103 0.000 2.202 142 I HA -0.186 3.984 4.170 -0.000 0.000 0.242 142 I C 2.605 178.628 176.117 -0.157 0.000 1.091 142 I CA 0.955 62.156 61.300 -0.165 0.000 1.368 142 I CB -0.604 37.201 38.000 -0.323 0.000 1.058 142 I HN -0.118 nan 8.210 nan 0.000 0.410 143 L N 0.708 121.853 121.223 -0.131 0.000 2.013 143 L HA -0.298 4.042 4.340 -0.000 0.000 0.212 143 L C 2.882 179.599 176.870 -0.256 0.000 1.073 143 L CA 1.691 56.412 54.840 -0.198 0.000 0.753 143 L CB -0.314 41.680 42.059 -0.109 0.000 0.890 143 L HN 0.214 nan 8.230 nan 0.000 0.432 144 R N -0.627 119.745 120.500 -0.214 0.000 2.094 144 R HA -0.227 4.113 4.340 -0.000 0.000 0.239 144 R C 2.279 178.309 176.300 -0.450 0.000 1.137 144 R CA 1.750 57.656 56.100 -0.323 0.000 0.943 144 R CB -0.588 29.517 30.300 -0.325 0.000 0.850 144 R HN 0.501 nan 8.270 nan 0.000 0.433 145 A N 0.725 123.329 122.820 -0.360 0.000 1.978 145 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 145 A C 2.286 179.761 177.584 -0.181 0.000 1.170 145 A CA 1.770 53.668 52.037 -0.231 0.000 0.636 145 A CB -0.596 18.369 19.000 -0.059 0.000 0.810 145 A HN 0.469 nan 8.150 nan 0.000 0.448 146 A N -0.396 122.260 122.820 -0.273 0.000 1.930 146 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 146 A C 1.920 179.346 177.584 -0.264 0.000 1.175 146 A CA 1.568 53.408 52.037 -0.329 0.000 0.627 146 A CB -0.415 18.091 19.000 -0.823 0.000 0.815 146 A HN 0.611 nan 8.150 nan 0.000 0.443 147 E N -0.242 119.776 120.200 -0.304 0.000 2.047 147 E HA -0.066 4.283 4.350 -0.000 0.000 0.191 147 E C 2.243 178.807 176.600 -0.061 0.000 0.987 147 E CA 0.947 57.258 56.400 -0.149 0.000 0.799 147 E CB -0.269 29.344 29.700 -0.146 0.000 0.752 147 E HN 0.591 nan 8.360 nan 0.000 0.449 148 A N 0.904 123.664 122.820 -0.099 0.000 2.070 148 A HA -0.064 4.256 4.320 -0.000 0.000 0.220 148 A C 2.182 179.802 177.584 0.060 0.000 1.159 148 A CA 1.555 53.586 52.037 -0.010 0.000 0.656 148 A CB -0.328 18.679 19.000 0.012 0.000 0.800 148 A HN 0.279 nan 8.150 nan 0.000 0.453 149 A N -0.996 121.873 122.820 0.081 0.000 2.195 149 A HA 0.526 4.846 4.320 -0.000 0.000 0.210 149 A C 2.172 179.894 177.584 0.230 0.000 1.165 149 A CA 1.060 53.204 52.037 0.177 0.000 0.806 149 A CB -0.488 18.643 19.000 0.219 0.000 0.847 149 A HN 0.827 nan 8.150 nan 0.000 0.482 150 A N 0.005 122.904 122.820 0.132 0.000 1.969 150 A HA 0.191 4.511 4.320 -0.000 0.000 0.218 150 A C 1.874 179.468 177.584 0.017 0.000 1.169 150 A CA 1.307 53.379 52.037 0.059 0.000 0.635 150 A CB -0.873 18.182 19.000 0.092 0.000 0.810 150 A HN 0.770 nan 8.150 nan 0.000 0.445 151 G N 0.218 109.050 108.800 0.053 0.000 3.471 151 G HA2 0.411 4.371 3.960 -0.000 0.000 0.254 151 G HA3 0.411 4.371 3.960 -0.000 0.000 0.254 151 G C -0.169 174.769 174.900 0.062 0.000 1.199 151 G CA -0.188 44.936 45.100 0.040 0.000 1.683 151 G HN 0.367 nan 8.290 nan 0.000 0.625 152 E N 0.617 120.875 120.200 0.097 0.000 2.356 152 E HA 0.262 4.612 4.350 -0.000 0.000 0.275 152 E C -2.782 173.893 176.600 0.126 0.000 0.904 152 E CA -1.748 54.722 56.400 0.118 0.000 0.757 152 E CB 2.758 32.544 29.700 0.144 0.000 1.232 152 E HN -0.008 nan 8.360 nan 0.000 0.442 153 P HA 0.157 nan 4.420 nan 0.000 0.267 153 P C -2.462 174.874 177.300 0.059 0.000 1.205 153 P CA -1.062 62.060 63.100 0.037 0.000 0.765 153 P CB -0.518 31.184 31.700 0.003 0.000 0.828 154 P HA -0.053 nan 4.420 nan 0.000 0.266 154 P C -0.058 177.092 177.300 -0.249 0.000 1.180 154 P CA 0.553 63.681 63.100 0.047 0.000 0.765 154 P CB 0.219 31.930 31.700 0.019 0.000 0.806 155 A N 2.484 124.958 122.820 -0.576 0.000 2.450 155 A HA 0.124 4.444 4.320 -0.000 0.000 0.255 155 A C 1.080 178.280 177.584 -0.640 0.000 1.096 155 A CA -0.099 51.347 52.037 -0.984 0.000 0.778 155 A CB -0.176 17.568 19.000 -2.093 0.000 1.031 155 A HN 0.669 nan 8.150 nan 0.000 0.494 156 D N 1.347 121.535 120.400 -0.354 0.000 2.144 156 D HA -0.229 4.411 4.640 -0.000 0.000 0.200 156 D C 1.319 177.600 176.300 -0.032 0.000 0.978 156 D CA 1.511 55.450 54.000 -0.101 0.000 0.833 156 D CB -0.493 40.331 40.800 0.040 0.000 0.961 156 D HN 0.849 nan 8.370 nan 0.000 0.470 157 W N 1.056 122.360 121.300 0.008 0.000 2.421 157 W HA 0.090 4.750 4.660 -0.000 0.000 0.270 157 W C 1.347 177.883 176.519 0.029 0.000 1.233 157 W CA 0.174 57.529 57.345 0.017 0.000 1.226 157 W CB -0.499 28.968 29.460 0.013 0.000 1.121 157 W HN -0.047 nan 8.180 nan 0.000 0.579 158 L N 0.986 122.041 121.223 -0.280 0.000 2.209 158 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 158 L C 2.759 179.606 176.870 -0.038 0.000 1.094 158 L CA 1.368 56.133 54.840 -0.125 0.000 0.790 158 L CB -0.664 41.259 42.059 -0.226 0.000 0.932 158 L HN 0.190 nan 8.230 nan 0.000 0.447 159 Q N 0.018 119.784 119.800 -0.057 0.000 2.311 159 Q HA -0.005 4.335 4.340 -0.000 0.000 0.203 159 Q C 2.238 178.254 176.000 0.028 0.000 0.954 159 Q CA 0.962 56.758 55.803 -0.012 0.000 0.885 159 Q CB -0.310 28.413 28.738 -0.024 0.000 0.963 159 Q HN 0.394 nan 8.270 nan 0.000 0.471 160 A N 2.068 124.918 122.820 0.051 0.000 2.084 160 A HA -0.232 4.088 4.320 -0.000 0.000 0.221 160 A C 1.327 178.960 177.584 0.083 0.000 1.161 160 A CA 1.714 53.795 52.037 0.074 0.000 0.653 160 A CB -0.421 18.639 19.000 0.100 0.000 0.802 160 A HN 0.228 nan 8.150 nan 0.000 0.457 161 D N -0.064 120.384 120.400 0.079 0.000 2.350 161 D HA 0.046 4.686 4.640 -0.000 0.000 0.216 161 D C 1.987 178.354 176.300 0.111 0.000 0.968 161 D CA 0.991 55.044 54.000 0.088 0.000 0.894 161 D CB -0.255 40.578 40.800 0.055 0.000 0.909 161 D HN 0.485 nan 8.370 nan 0.000 0.520 162 A N 0.901 123.771 122.820 0.083 0.000 1.972 162 A HA -0.022 4.298 4.320 -0.000 0.000 0.219 162 A C 1.996 179.639 177.584 0.098 0.000 1.169 162 A CA 1.377 53.461 52.037 0.079 0.000 0.635 162 A CB -0.377 18.652 19.000 0.048 0.000 0.810 162 A HN 0.197 nan 8.150 nan 0.000 0.446 163 A N -1.190 121.690 122.820 0.100 0.000 2.426 163 A HA 0.435 4.755 4.320 -0.000 0.000 0.247 163 A C 0.143 177.808 177.584 0.134 0.000 1.389 163 A CA -0.248 51.843 52.037 0.089 0.000 1.129 163 A CB -0.984 18.057 19.000 0.069 0.000 0.928 163 A HN 0.452 nan 8.150 nan 0.000 0.557 164 F N -0.906 119.057 119.950 0.022 0.000 2.425 164 F HA 0.443 4.970 4.527 -0.000 0.000 0.331 164 F C 1.325 177.137 175.800 0.021 0.000 1.085 164 F CA 0.351 58.366 58.000 0.024 0.000 1.028 164 F CB 1.354 40.375 39.000 0.035 0.000 1.177 164 F HN 0.136 nan 8.300 nan 0.000 0.487 165 T N 3.807 117.500 114.554 -1.436 0.000 4.093 165 T HA -0.198 4.152 4.350 -0.000 0.000 0.334 165 T C -0.437 174.035 174.700 -0.380 0.000 0.773 165 T CA 1.395 62.913 62.100 -0.970 0.000 1.900 165 T CB -1.468 66.924 68.868 -0.793 0.000 1.911 165 T HN 0.474 nan 8.240 nan 0.000 0.844 180 A N 0.186 123.058 122.820 0.087 0.000 2.586 180 A HA 0.519 4.839 4.320 -0.000 0.000 0.298 180 A C -2.018 175.606 177.584 0.067 0.000 1.013 180 A CA -0.653 51.419 52.037 0.057 0.000 0.707 180 A CB 0.433 19.459 19.000 0.043 0.000 1.276 180 A HN 0.378 nan 8.150 nan 0.000 0.414 181 F N 1.424 121.202 119.950 -0.287 0.000 2.412 181 F HA 0.678 5.205 4.527 -0.000 0.000 0.348 181 F C -0.491 175.106 175.800 -0.338 0.000 1.102 181 F CA -1.083 56.640 58.000 -0.462 0.000 1.196 181 F CB 1.117 39.448 39.000 -1.114 0.000 1.144 181 F HN 0.285 nan 8.300 nan 0.000 0.541 182 L N 8.624 129.453 121.223 -0.658 0.000 2.502 182 L HA 0.360 4.700 4.340 -0.000 0.000 0.247 182 L C -2.118 174.275 176.870 -0.795 0.000 1.180 182 L CA -1.651 52.826 54.840 -0.605 0.000 0.956 182 L CB 0.436 42.323 42.059 -0.285 0.000 1.282 182 L HN 0.437 nan 8.230 nan 0.000 0.470 183 P HA 0.038 nan 4.420 nan 0.000 0.266 183 P C -0.086 177.034 177.300 -0.299 0.000 1.195 183 P CA 0.081 62.737 63.100 -0.741 0.000 0.768 183 P CB 1.304 32.604 31.700 -0.667 0.000 0.838 184 E N 0.248 120.357 120.200 -0.151 0.000 2.431 184 E HA 0.058 4.408 4.350 -0.000 0.000 0.200 184 E C 0.629 177.211 176.600 -0.029 0.000 0.995 184 E CA 0.692 57.053 56.400 -0.065 0.000 0.915 184 E CB 0.495 30.172 29.700 -0.038 0.000 0.930 184 E HN 0.632 nan 8.360 nan 0.000 0.496 185 T N -2.880 111.662 114.554 -0.019 0.000 2.900 185 T HA 0.310 4.660 4.350 -0.000 0.000 0.303 185 T C 0.855 175.581 174.700 0.042 0.000 1.142 185 T CA -0.642 61.470 62.100 0.019 0.000 1.007 185 T CB 1.823 70.716 68.868 0.042 0.000 1.156 185 T HN -0.273 nan 8.240 nan 0.000 0.490 186 S N 0.851 116.596 115.700 0.075 0.000 2.419 186 S HA -0.108 4.362 4.470 -0.000 0.000 0.235 186 S C 1.315 176.027 174.600 0.187 0.000 1.019 186 S CA 1.415 59.703 58.200 0.147 0.000 0.982 186 S CB -0.474 62.833 63.200 0.179 0.000 0.789 186 S HN 0.787 nan 8.310 nan 0.000 0.490 187 D N 1.900 122.386 120.400 0.143 0.000 2.091 187 D HA 0.064 4.704 4.640 -0.000 0.000 0.199 187 D C 2.263 178.673 176.300 0.184 0.000 0.980 187 D CA 1.271 55.365 54.000 0.157 0.000 0.831 187 D CB -0.675 40.194 40.800 0.114 0.000 0.987 187 D HN 0.344 nan 8.370 nan 0.000 0.460 188 A N 0.797 123.715 122.820 0.164 0.000 1.917 188 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 188 A C 2.148 179.924 177.584 0.319 0.000 1.182 188 A CA 1.510 53.685 52.037 0.230 0.000 0.633 188 A CB -0.888 18.235 19.000 0.205 0.000 0.819 188 A HN 0.273 nan 8.150 nan 0.000 0.448 189 L N -0.216 121.128 121.223 0.203 0.000 1.955 189 L HA -0.076 4.264 4.340 -0.000 0.000 0.213 189 L C 2.695 179.736 176.870 0.285 0.000 1.072 189 L CA 2.623 57.563 54.840 0.167 0.000 0.755 189 L CB -1.084 40.893 42.059 -0.138 0.000 0.888 189 L HN 0.351 nan 8.230 nan 0.000 0.432 190 A N -0.602 122.400 122.820 0.302 0.000 1.927 190 A HA -0.301 4.019 4.320 -0.000 0.000 0.220 190 A C 1.956 179.769 177.584 0.382 0.000 1.185 190 A CA 2.234 54.560 52.037 0.481 0.000 0.639 190 A CB -1.111 18.168 19.000 0.465 0.000 0.820 190 A HN 0.658 nan 8.150 nan 0.000 0.451 191 D N -1.569 119.022 120.400 0.318 0.000 2.081 191 D HA -0.184 4.456 4.640 -0.000 0.000 0.194 191 D C 1.601 178.083 176.300 0.303 0.000 0.986 191 D CA 1.455 55.609 54.000 0.257 0.000 0.837 191 D CB -0.762 40.168 40.800 0.217 0.000 0.985 191 D HN 0.749 nan 8.370 nan 0.000 0.448 192 W N 0.343 121.741 121.300 0.163 0.000 2.331 192 W HA -0.309 4.351 4.660 -0.000 0.000 0.291 192 W C 2.201 178.911 176.519 0.318 0.000 1.214 192 W CA 1.206 58.640 57.345 0.148 0.000 1.228 192 W CB -0.266 29.129 29.460 -0.108 0.000 1.135 192 W HN 0.012 nan 8.180 nan 0.000 0.537 193 Y N 0.367 120.952 120.300 0.474 0.000 2.200 193 Y HA -0.190 4.359 4.550 -0.000 0.000 0.290 193 Y C 2.254 178.190 175.900 0.061 0.000 1.137 193 Y CA 1.726 59.986 58.100 0.267 0.000 1.163 193 Y CB -1.257 37.370 38.460 0.277 0.000 0.988 193 Y HN 0.004 nan 8.280 nan 0.000 0.518 194 L N 0.652 121.932 121.223 0.095 0.000 2.081 194 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 194 L C 2.292 179.051 176.870 -0.185 0.000 1.080 194 L CA 2.288 57.088 54.840 -0.066 0.000 0.754 194 L CB -1.391 40.685 42.059 0.030 0.000 0.893 194 L HN 0.258 nan 8.230 nan 0.000 0.433 195 A N -1.924 120.761 122.820 -0.224 0.000 1.930 195 A HA -0.076 4.244 4.320 -0.000 0.000 0.215 195 A C 0.997 178.143 177.584 -0.730 0.000 1.176 195 A CA 0.853 52.607 52.037 -0.471 0.000 0.632 195 A CB -0.525 18.142 19.000 -0.554 0.000 0.819 195 A HN 0.662 nan 8.150 nan 0.000 0.445 196 H N -0.242 118.496 119.070 -0.552 0.000 2.410 196 H HA 0.183 4.739 4.556 -0.000 0.000 0.232 196 H C -1.944 173.175 175.328 -0.350 0.000 1.535 196 H CA -1.644 54.091 56.048 -0.521 0.000 1.310 196 H CB 0.412 29.643 29.762 -0.885 0.000 1.518 196 H HN 0.403 nan 8.280 nan 0.000 0.545 197 P HA -0.184 nan 4.420 nan 0.000 0.218 197 P C 1.172 178.415 177.300 -0.095 0.000 1.148 197 P CA 1.154 64.045 63.100 -0.349 0.000 0.822 197 P CB 0.607 32.164 31.700 -0.238 0.000 0.784 198 E N -0.372 119.821 120.200 -0.011 0.000 2.489 198 E HA 0.239 4.589 4.350 -0.000 0.000 0.193 198 E C 0.713 177.404 176.600 0.152 0.000 1.057 198 E CA -0.266 56.173 56.400 0.066 0.000 0.866 198 E CB -0.535 29.178 29.700 0.022 0.000 0.916 198 E HN 0.166 nan 8.360 nan 0.000 0.500 199 A N -0.160 122.791 122.820 0.218 0.000 2.492 199 A HA 0.179 4.499 4.320 -0.000 0.000 0.236 199 A C 0.258 178.016 177.584 0.291 0.000 1.078 199 A CA 0.214 52.421 52.037 0.284 0.000 0.773 199 A CB 0.273 19.515 19.000 0.403 0.000 1.023 199 A HN 0.144 nan 8.150 nan 0.000 0.504 200 T N 2.486 117.173 114.554 0.220 0.000 2.743 200 T HA 0.469 4.819 4.350 -0.000 0.000 0.292 200 T C -0.150 174.583 174.700 0.054 0.000 0.972 200 T CA -0.048 62.151 62.100 0.166 0.000 0.967 200 T CB 0.058 69.023 68.868 0.162 0.000 0.926 200 T HN 0.405 nan 8.240 nan 0.000 0.459 201 L N 4.882 126.110 121.223 0.009 0.000 2.265 201 L HA 0.524 4.864 4.340 -0.000 0.000 0.288 201 L C -0.114 176.687 176.870 -0.116 0.000 1.058 201 L CA -0.559 54.212 54.840 -0.116 0.000 0.809 201 L CB 0.612 42.553 42.059 -0.196 0.000 1.179 201 L HN 0.512 nan 8.230 nan 0.000 0.429 202 I N 2.748 123.219 120.570 -0.166 0.000 2.382 202 I HA 0.379 4.549 4.170 -0.000 0.000 0.286 202 I C 0.594 176.717 176.117 0.011 0.000 1.002 202 I CA -0.101 61.148 61.300 -0.084 0.000 1.135 202 I CB 1.811 39.761 38.000 -0.082 0.000 1.288 202 I HN 0.784 nan 8.210 nan 0.000 0.448 203 A N 5.112 127.924 122.820 -0.013 0.000 3.280 203 A HA 0.425 4.745 4.320 -0.000 0.000 0.203 203 A C 1.928 179.508 177.584 -0.008 0.000 2.143 203 A CA 0.864 52.895 52.037 -0.010 0.000 1.168 203 A CB -1.274 17.712 19.000 -0.024 0.000 1.267 203 A HN 0.697 nan 8.150 nan 0.000 0.436 204 G N -1.567 107.218 108.800 -0.025 0.000 2.418 204 G HA2 0.262 4.222 3.960 -0.000 0.000 0.217 204 G HA3 0.262 4.222 3.960 -0.000 0.000 0.217 204 G C 1.340 176.218 174.900 -0.035 0.000 1.158 204 G CA 1.416 46.496 45.100 -0.033 0.000 0.771 204 G HN 2.086 nan 8.290 nan 0.000 0.545 205 G N -1.228 107.542 108.800 -0.050 0.000 2.141 205 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.242 205 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.242 205 G C 1.209 176.048 174.900 -0.102 0.000 0.982 205 G CA 1.383 46.438 45.100 -0.076 0.000 0.662 205 G HN 1.336 nan 8.290 nan 0.000 0.527 206 T N -3.571 110.937 114.554 -0.077 0.000 3.067 206 T HA 0.187 4.537 4.350 -0.000 0.000 0.261 206 T C 1.405 176.048 174.700 -0.096 0.000 1.110 206 T CA 1.564 63.628 62.100 -0.061 0.000 1.113 206 T CB 0.256 69.119 68.868 -0.007 0.000 0.917 206 T HN 0.101 nan 8.240 nan 0.000 0.499 207 D N 0.451 120.756 120.400 -0.159 0.000 2.380 207 D HA 0.199 4.839 4.640 -0.000 0.000 0.212 207 D C 2.091 178.036 176.300 -0.591 0.000 1.021 207 D CA 0.270 54.137 54.000 -0.221 0.000 0.884 207 D CB 0.551 41.275 40.800 -0.127 0.000 1.001 207 D HN 0.268 nan 8.370 nan 0.000 0.506 208 V N 1.270 120.780 119.914 -0.674 0.000 2.407 208 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 208 V C 2.347 178.105 176.094 -0.561 0.000 1.041 208 V CA 1.650 63.313 62.300 -1.062 0.000 1.040 208 V CB -0.364 31.052 31.823 -0.678 0.000 0.671 208 V HN 0.164 nan 8.190 nan 0.000 0.455 209 S N 0.641 116.182 115.700 -0.265 0.000 2.442 209 S HA -0.081 4.389 4.470 -0.000 0.000 0.236 209 S C 1.841 176.427 174.600 -0.023 0.000 1.007 209 S CA 1.128 59.273 58.200 -0.090 0.000 0.965 209 S CB -0.474 62.699 63.200 -0.046 0.000 0.773 209 S HN 0.500 nan 8.310 nan 0.000 0.504 210 L N -0.709 120.487 121.223 -0.044 0.000 2.362 210 L HA -0.007 4.333 4.340 -0.000 0.000 0.219 210 L C 2.205 179.226 176.870 0.251 0.000 1.134 210 L CA 0.802 55.692 54.840 0.084 0.000 0.807 210 L CB -0.700 41.414 42.059 0.093 0.000 0.927 210 L HN 0.417 nan 8.230 nan 0.000 0.447 211 W N -0.073 121.249 121.300 0.036 0.000 2.388 211 W HA -0.092 4.568 4.660 -0.000 0.000 0.294 211 W C 2.523 179.062 176.519 0.032 0.000 1.212 211 W CA 1.071 58.436 57.345 0.034 0.000 1.271 211 W CB -1.118 28.363 29.460 0.035 0.000 1.126 211 W HN 0.078 nan 8.180 nan 0.000 0.535 212 V N 0.151 120.222 119.914 0.263 0.000 2.599 212 V HA -0.115 4.005 4.120 -0.000 0.000 0.245 212 V C 2.104 178.268 176.094 0.116 0.000 1.046 212 V CA 2.602 65.001 62.300 0.166 0.000 1.065 212 V CB -0.688 31.213 31.823 0.131 0.000 0.703 212 V HN 0.160 nan 8.190 nan 0.000 0.464 213 T N -2.402 112.212 114.554 0.100 0.000 2.896 213 T HA 0.021 4.370 4.350 -0.000 0.000 0.263 213 T C 1.895 176.640 174.700 0.075 0.000 1.050 213 T CA 1.168 63.312 62.100 0.074 0.000 1.140 213 T CB -0.173 68.729 68.868 0.056 0.000 0.877 213 T HN 0.477 nan 8.240 nan 0.000 0.457 214 K N 1.027 121.483 120.400 0.093 0.000 2.286 214 K HA 0.455 4.774 4.320 -0.000 0.000 0.203 214 K C 2.536 179.185 176.600 0.082 0.000 1.078 214 K CA 0.850 57.186 56.287 0.082 0.000 0.957 214 K CB -0.349 32.200 32.500 0.083 0.000 1.018 214 K HN 0.360 nan 8.250 nan 0.000 0.484 215 A N 1.597 124.481 122.820 0.106 0.000 2.239 215 A HA 0.087 4.407 4.320 -0.000 0.000 0.209 215 A C 0.989 178.612 177.584 0.065 0.000 1.171 215 A CA 0.268 52.350 52.037 0.075 0.000 0.768 215 A CB -0.618 18.420 19.000 0.064 0.000 0.790 215 A HN 0.397 nan 8.150 nan 0.000 0.478 216 L N -1.648 119.622 121.223 0.080 0.000 3.737 216 L HA -0.247 4.093 4.340 -0.000 0.000 0.418 216 L C 0.828 177.738 176.870 0.065 0.000 1.216 216 L CA 0.226 55.106 54.840 0.067 0.000 0.915 216 L CB -1.514 40.574 42.059 0.047 0.000 1.834 216 L HN 0.554 nan 8.230 nan 0.000 0.943 217 R N 0.385 120.938 120.500 0.088 0.000 2.580 217 R HA 0.375 4.715 4.340 -0.000 0.000 0.267 217 R C 0.049 176.406 176.300 0.095 0.000 1.125 217 R CA -0.413 55.734 56.100 0.079 0.000 1.188 217 R CB 0.810 31.159 30.300 0.081 0.000 1.155 217 R HN 0.102 nan 8.270 nan 0.000 0.586 218 D N 1.370 121.820 120.400 0.083 0.000 2.788 218 D HA 0.234 4.874 4.640 -0.000 0.000 0.247 218 D C -1.497 174.858 176.300 0.091 0.000 1.236 218 D CA -0.450 53.600 54.000 0.084 0.000 0.898 218 D CB 1.131 41.968 40.800 0.061 0.000 1.401 218 D HN 0.303 nan 8.370 nan 0.000 0.549 219 L N 4.750 126.038 121.223 0.108 0.000 2.294 219 L HA 0.509 4.849 4.340 -0.000 0.000 0.283 219 L C -2.173 174.750 176.870 0.088 0.000 1.015 219 L CA -1.581 53.328 54.840 0.115 0.000 0.831 219 L CB 1.494 43.646 42.059 0.155 0.000 1.217 219 L HN 0.174 nan 8.230 nan 0.000 0.420 220 P HA 0.339 nan 4.420 nan 0.000 0.283 220 P C -0.833 176.521 177.300 0.090 0.000 1.271 220 P CA -0.724 62.421 63.100 0.075 0.000 0.841 220 P CB 0.993 32.732 31.700 0.065 0.000 1.122 221 E N -0.868 119.392 120.200 0.099 0.000 3.117 221 E HA -0.065 4.285 4.350 -0.000 0.000 0.156 221 E C -1.684 175.016 176.600 0.166 0.000 1.699 221 E CA 0.217 56.705 56.400 0.147 0.000 0.728 221 E CB -1.226 28.552 29.700 0.130 0.000 1.091 221 E HN 0.145 nan 8.360 nan 0.000 0.369 222 V N 1.701 121.680 119.914 0.109 0.000 2.735 222 V HA 0.931 5.051 4.120 -0.000 0.000 0.310 222 V C 0.026 175.996 176.094 -0.207 0.000 1.061 222 V CA -0.095 62.170 62.300 -0.059 0.000 0.913 222 V CB 2.009 33.703 31.823 -0.216 0.000 1.005 222 V HN 0.651 nan 8.190 nan 0.000 0.428 223 A N 3.905 126.520 122.820 -0.342 0.000 2.393 223 A HA 0.874 5.194 4.320 -0.000 0.000 0.306 223 A C -1.268 175.974 177.584 -0.569 0.000 1.050 223 A CA -0.400 51.334 52.037 -0.504 0.000 0.724 223 A CB 1.002 19.717 19.000 -0.474 0.000 1.248 223 A HN 0.648 nan 8.150 nan 0.000 0.424 224 F N 2.703 122.501 119.950 -0.254 0.000 2.385 224 F HA 0.297 4.824 4.527 -0.000 0.000 0.360 224 F C 1.180 176.846 175.800 -0.223 0.000 1.122 224 F CA -0.425 57.465 58.000 -0.184 0.000 1.090 224 F CB 1.453 40.391 39.000 -0.103 0.000 1.150 224 F HN 0.523 nan 8.300 nan 0.000 0.472 225 L N 1.564 122.769 121.223 -0.030 0.000 2.395 225 L HA -0.090 4.250 4.340 -0.000 0.000 0.218 225 L C 2.134 178.958 176.870 -0.075 0.000 1.130 225 L CA 0.557 55.337 54.840 -0.100 0.000 0.826 225 L CB -0.610 41.382 42.059 -0.112 0.000 0.941 225 L HN 0.653 nan 8.230 nan 0.000 0.451 226 S N -1.616 114.039 115.700 -0.074 0.000 2.493 226 S HA -0.162 4.308 4.470 -0.000 0.000 0.243 226 S C 1.312 175.709 174.600 -0.339 0.000 0.991 226 S CA 0.764 58.834 58.200 -0.216 0.000 0.957 226 S CB -0.572 62.449 63.200 -0.299 0.000 0.756 226 S HN 0.516 nan 8.310 nan 0.000 0.521 227 H N -0.454 118.555 119.070 -0.101 0.000 2.507 227 H HA 0.324 4.880 4.556 -0.000 0.000 0.294 227 H C -0.542 174.727 175.328 -0.098 0.000 1.064 227 H CA -0.431 55.557 56.048 -0.100 0.000 1.138 227 H CB -0.115 29.580 29.762 -0.112 0.000 1.515 227 H HN 0.377 nan 8.280 nan 0.000 0.547 228 C N 2.508 121.793 119.300 -0.025 0.000 2.185 228 C HA 0.154 4.614 4.460 -0.000 0.000 0.357 228 C C 1.813 176.788 174.990 -0.024 0.000 1.053 228 C CA -0.903 58.098 59.018 -0.028 0.000 1.552 228 C CB -0.162 27.549 27.740 -0.049 0.000 1.679 228 C HN 0.497 nan 8.230 nan 0.000 0.453 229 K N 1.753 122.143 120.400 -0.016 0.000 2.097 229 K HA -0.238 4.082 4.320 -0.000 0.000 0.214 229 K C 1.486 178.077 176.600 -0.014 0.000 1.052 229 K CA 2.203 58.479 56.287 -0.019 0.000 0.932 229 K CB -0.125 32.369 32.500 -0.009 0.000 0.716 229 K HN 0.774 nan 8.250 nan 0.000 0.455 230 D N 0.647 121.046 120.400 -0.002 0.000 2.392 230 D HA -0.135 4.505 4.640 -0.000 0.000 0.228 230 D C 1.534 177.840 176.300 0.011 0.000 1.003 230 D CA 0.587 54.590 54.000 0.006 0.000 0.917 230 D CB -0.204 40.606 40.800 0.017 0.000 0.890 230 D HN 0.224 nan 8.370 nan 0.000 0.532 231 L N -0.532 120.695 121.223 0.006 0.000 2.513 231 L HA 0.290 4.630 4.340 -0.000 0.000 0.222 231 L C 1.155 178.019 176.870 -0.011 0.000 1.096 231 L CA 0.295 55.146 54.840 0.018 0.000 0.857 231 L CB 0.189 42.266 42.059 0.030 0.000 1.026 231 L HN 0.041 nan 8.230 nan 0.000 0.469 232 A N -0.127 122.675 122.820 -0.030 0.000 3.159 232 A HA 0.347 4.667 4.320 -0.000 0.000 0.301 232 A C -0.329 177.222 177.584 -0.056 0.000 1.271 232 A CA -0.330 51.678 52.037 -0.049 0.000 0.998 232 A CB -0.118 18.847 19.000 -0.057 0.000 1.101 232 A HN 0.144 nan 8.150 nan 0.000 0.610 233 Q N 0.033 119.799 119.800 -0.056 0.000 2.342 233 Q HA 0.562 4.902 4.340 -0.000 0.000 0.267 233 Q C -0.940 175.003 176.000 -0.096 0.000 1.038 233 Q CA -0.261 55.505 55.803 -0.061 0.000 0.832 233 Q CB 2.224 30.940 28.738 -0.036 0.000 1.323 233 Q HN 0.547 nan 8.270 nan 0.000 0.448 234 I N 2.278 122.779 120.570 -0.115 0.000 2.330 234 I HA 0.411 4.581 4.170 -0.000 0.000 0.289 234 I C -0.008 176.064 176.117 -0.076 0.000 1.001 234 I CA -0.455 60.733 61.300 -0.186 0.000 1.193 234 I CB 1.071 38.871 38.000 -0.333 0.000 1.345 234 I HN 0.184 nan 8.210 nan 0.000 0.461 235 R N 4.610 125.089 120.500 -0.034 0.000 2.437 235 R HA 0.316 4.656 4.340 -0.000 0.000 0.310 235 R C -0.547 175.813 176.300 0.099 0.000 0.955 235 R CA -0.748 55.370 56.100 0.029 0.000 0.851 235 R CB 2.093 32.396 30.300 0.005 0.000 1.161 235 R HN 0.525 nan 8.270 nan 0.000 0.446 236 E N 1.747 122.026 120.200 0.133 0.000 2.324 236 E HA 0.069 4.418 4.350 -0.000 0.000 0.271 236 E C -0.673 175.918 176.600 -0.015 0.000 1.028 236 E CA 0.276 56.735 56.400 0.099 0.000 0.890 236 E CB 0.984 30.755 29.700 0.119 0.000 1.004 236 E HN 0.328 nan 8.360 nan 0.000 0.431 237 T N 3.839 118.338 114.554 -0.091 0.000 2.927 237 T HA 0.350 4.700 4.350 -0.000 0.000 0.286 237 T C -1.818 172.818 174.700 -0.108 0.000 1.040 237 T CA -1.801 60.254 62.100 -0.076 0.000 1.010 237 T CB 1.245 70.078 68.868 -0.057 0.000 1.177 237 T HN 0.456 nan 8.240 nan 0.000 0.546 238 P HA 0.015 nan 4.420 nan 0.000 0.219 238 P C -0.315 176.937 177.300 -0.080 0.000 1.150 238 P CA 1.131 64.190 63.100 -0.069 0.000 0.814 238 P CB 0.006 31.679 31.700 -0.044 0.000 0.787 239 D N -1.031 119.323 120.400 -0.077 0.000 2.613 239 D HA 0.523 5.163 4.640 -0.000 0.000 0.312 239 D C 0.450 176.708 176.300 -0.070 0.000 1.202 239 D CA -0.653 53.308 54.000 -0.065 0.000 0.825 239 D CB 0.467 41.244 40.800 -0.038 0.000 1.113 239 D HN 0.257 nan 8.370 nan 0.000 0.502 240 G N -0.401 108.316 108.800 -0.138 0.000 2.408 240 G HA2 0.053 4.013 3.960 -0.000 0.000 0.682 240 G HA3 0.053 4.013 3.960 -0.000 0.000 0.682 240 G C -1.507 173.285 174.900 -0.180 0.000 1.303 240 G CA -1.306 43.725 45.100 -0.114 0.000 0.966 240 G HN 0.142 nan 8.290 nan 0.000 0.560 241 Y N -0.219 120.130 120.300 0.082 0.000 2.457 241 Y HA 0.619 5.169 4.550 -0.000 0.000 0.333 241 Y C 1.065 176.942 175.900 -0.039 0.000 1.119 241 Y CA 0.166 58.292 58.100 0.042 0.000 1.143 241 Y CB 2.408 40.937 38.460 0.114 0.000 1.230 241 Y HN 0.920 nan 8.280 nan 0.000 0.469 242 G N 2.938 111.788 108.800 0.083 0.000 2.468 242 G HA2 0.605 4.565 3.960 -0.000 0.000 0.315 242 G HA3 0.605 4.565 3.960 -0.000 0.000 0.315 242 G C -1.153 173.703 174.900 -0.074 0.000 1.203 242 G CA -0.499 44.598 45.100 -0.006 0.000 0.962 242 G HN 0.567 nan 8.290 nan 0.000 0.476 243 I N 2.815 123.326 120.570 -0.097 0.000 2.328 243 I HA 0.324 4.494 4.170 -0.000 0.000 0.287 243 I C 1.141 177.201 176.117 -0.094 0.000 1.012 243 I CA -0.643 60.571 61.300 -0.143 0.000 1.195 243 I CB 1.728 39.623 38.000 -0.176 0.000 1.350 243 I HN 0.487 nan 8.210 nan 0.000 0.464 244 G N 3.703 112.451 108.800 -0.085 0.000 2.491 244 G HA2 0.303 4.263 3.960 -0.000 0.000 0.242 244 G HA3 0.303 4.263 3.960 -0.000 0.000 0.242 244 G C 0.994 175.869 174.900 -0.043 0.000 1.266 244 G CA 0.077 45.146 45.100 -0.051 0.000 0.844 244 G HN 0.830 nan 8.290 nan 0.000 0.571 245 A N 1.538 124.351 122.820 -0.012 0.000 1.972 245 A HA 0.074 4.394 4.320 -0.000 0.000 0.219 245 A C 2.318 179.897 177.584 -0.009 0.000 1.169 245 A CA 1.893 53.930 52.037 -0.001 0.000 0.635 245 A CB -0.385 18.642 19.000 0.045 0.000 0.810 245 A HN 1.131 nan 8.150 nan 0.000 0.446 246 G N -0.804 107.987 108.800 -0.015 0.000 3.327 246 G HA2 0.372 4.332 3.960 -0.000 0.000 0.240 246 G HA3 0.372 4.332 3.960 -0.000 0.000 0.240 246 G C 0.067 174.933 174.900 -0.057 0.000 1.222 246 G CA -0.030 45.049 45.100 -0.035 0.000 0.871 246 G HN 0.207 nan 8.290 nan 0.000 0.525 247 V N 2.279 122.154 119.914 -0.065 0.000 2.455 247 V HA 0.253 4.373 4.120 -0.000 0.000 0.273 247 V C 1.103 177.144 176.094 -0.088 0.000 1.045 247 V CA -0.389 61.860 62.300 -0.084 0.000 0.976 247 V CB 0.889 32.646 31.823 -0.109 0.000 0.993 247 V HN 0.452 nan 8.190 nan 0.000 0.475 248 T N 4.186 118.688 114.554 -0.087 0.000 2.926 248 T HA 0.210 4.560 4.350 -0.000 0.000 0.307 248 T C 1.383 176.009 174.700 -0.122 0.000 1.059 248 T CA -0.585 61.460 62.100 -0.092 0.000 1.122 248 T CB 0.654 69.475 68.868 -0.078 0.000 0.972 248 T HN 0.345 nan 8.240 nan 0.000 0.545 249 I N 1.714 122.182 120.570 -0.170 0.000 2.264 249 I HA -0.162 4.008 4.170 -0.000 0.000 0.248 249 I C 2.888 178.899 176.117 -0.177 0.000 1.111 249 I CA 1.622 62.754 61.300 -0.279 0.000 1.382 249 I CB -2.086 35.575 38.000 -0.564 0.000 1.060 249 I HN 0.910 nan 8.210 nan 0.000 0.418 250 A N 1.511 124.263 122.820 -0.113 0.000 1.842 250 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 250 A C 2.654 180.202 177.584 -0.060 0.000 1.206 250 A CA 2.626 54.620 52.037 -0.072 0.000 0.630 250 A CB -1.158 17.812 19.000 -0.050 0.000 0.839 250 A HN 0.411 nan 8.150 nan 0.000 0.447 251 A N -0.798 121.988 122.820 -0.057 0.000 1.958 251 A HA -0.178 4.142 4.320 -0.000 0.000 0.221 251 A C 2.137 179.709 177.584 -0.020 0.000 1.178 251 A CA 2.143 54.157 52.037 -0.038 0.000 0.642 251 A CB -0.714 18.255 19.000 -0.052 0.000 0.816 251 A HN 1.009 nan 8.150 nan 0.000 0.453 252 L N -0.534 120.657 121.223 -0.054 0.000 2.201 252 L HA -0.030 4.310 4.340 -0.000 0.000 0.212 252 L C 2.243 179.134 176.870 0.034 0.000 1.105 252 L CA 2.170 56.994 54.840 -0.026 0.000 0.775 252 L CB -0.672 41.332 42.059 -0.093 0.000 0.913 252 L HN 0.467 nan 8.230 nan 0.000 0.440 253 R N -0.701 119.788 120.500 -0.019 0.000 2.073 253 R HA -0.037 4.303 4.340 -0.000 0.000 0.229 253 R C 2.191 178.493 176.300 0.004 0.000 1.120 253 R CA 1.133 57.224 56.100 -0.015 0.000 0.967 253 R CB -0.276 30.002 30.300 -0.037 0.000 0.862 253 R HN 0.474 nan 8.270 nan 0.000 0.436 254 A N 0.953 123.778 122.820 0.008 0.000 1.841 254 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 254 A C 2.005 179.597 177.584 0.014 0.000 1.199 254 A CA 1.591 53.629 52.037 0.002 0.000 0.621 254 A CB -1.100 17.902 19.000 0.004 0.000 0.835 254 A HN 0.542 nan 8.150 nan 0.000 0.445 255 F N 1.196 121.092 119.950 -0.091 0.000 2.147 255 F HA -0.228 4.299 4.527 -0.000 0.000 0.301 255 F C 2.321 178.048 175.800 -0.121 0.000 1.084 255 F CA 1.694 59.622 58.000 -0.120 0.000 1.268 255 F CB -0.304 38.609 39.000 -0.145 0.000 1.009 255 F HN 0.230 nan 8.300 nan 0.000 0.486 256 A N -0.507 122.279 122.820 -0.056 0.000 2.066 256 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 256 A C 1.985 179.461 177.584 -0.180 0.000 1.157 256 A CA 1.271 53.227 52.037 -0.135 0.000 0.670 256 A CB -0.834 18.198 19.000 0.053 0.000 0.804 256 A HN 0.540 nan 8.150 nan 0.000 0.453 257 E N -0.081 120.026 120.200 -0.155 0.000 2.114 257 E HA -0.154 4.196 4.350 -0.000 0.000 0.199 257 E C 1.958 178.464 176.600 -0.156 0.000 1.008 257 E CA 1.605 57.933 56.400 -0.121 0.000 0.810 257 E CB -0.386 29.256 29.700 -0.096 0.000 0.739 257 E HN 0.554 nan 8.360 nan 0.000 0.456 258 G N 0.418 109.074 108.800 -0.240 0.000 2.605 258 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.215 258 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.215 258 G C -0.833 173.914 174.900 -0.255 0.000 1.279 258 G CA 0.761 45.720 45.100 -0.236 0.000 0.831 258 G HN 0.302 nan 8.290 nan 0.000 0.560 259 P HA 0.089 nan 4.420 nan 0.000 0.231 259 P C 0.004 176.942 177.300 -0.604 0.000 1.168 259 P CA 0.882 63.708 63.100 -0.457 0.000 0.779 259 P CB 0.318 31.695 31.700 -0.539 0.000 0.844 260 H N -1.745 117.228 119.070 -0.161 0.000 2.514 260 H HA 0.213 4.769 4.556 -0.000 0.000 0.226 260 H C -1.985 173.298 175.328 -0.075 0.000 1.421 260 H CA -1.436 54.563 56.048 -0.082 0.000 1.394 260 H CB 1.089 30.822 29.762 -0.049 0.000 1.701 260 H HN 0.049 nan 8.280 nan 0.000 0.515 261 P HA -0.110 nan 4.420 nan 0.000 0.216 261 P C 1.632 178.947 177.300 0.025 0.000 1.153 261 P CA 1.361 64.458 63.100 -0.005 0.000 0.848 261 P CB 0.373 32.059 31.700 -0.024 0.000 0.787 262 A N -0.085 122.761 122.820 0.044 0.000 1.908 262 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 262 A C 2.211 179.817 177.584 0.037 0.000 1.181 262 A CA 1.801 53.862 52.037 0.041 0.000 0.627 262 A CB -1.746 17.277 19.000 0.039 0.000 0.818 262 A HN 0.200 nan 8.150 nan 0.000 0.445 263 L N -0.436 120.815 121.223 0.047 0.000 2.083 263 L HA -0.048 4.292 4.340 -0.000 0.000 0.209 263 L C 2.607 179.492 176.870 0.025 0.000 1.083 263 L CA 2.112 56.967 54.840 0.024 0.000 0.752 263 L CB -0.617 41.444 42.059 0.004 0.000 0.899 263 L HN 0.338 nan 8.230 nan 0.000 0.433 264 A N -0.495 122.341 122.820 0.026 0.000 1.898 264 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 264 A C 2.362 179.956 177.584 0.016 0.000 1.181 264 A CA 1.356 53.399 52.037 0.009 0.000 0.620 264 A CB -1.604 17.390 19.000 -0.010 0.000 0.819 264 A HN 0.507 nan 8.150 nan 0.000 0.442 265 G N 0.199 109.013 108.800 0.023 0.000 2.491 265 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 265 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 265 G C 1.504 176.435 174.900 0.053 0.000 1.180 265 G CA 1.442 46.561 45.100 0.033 0.000 0.774 265 G HN 0.503 nan 8.290 nan 0.000 0.562 266 L N 0.794 122.053 121.223 0.060 0.000 1.970 266 L HA 0.007 4.347 4.340 -0.000 0.000 0.212 266 L C 2.685 179.620 176.870 0.108 0.000 1.071 266 L CA 1.548 56.440 54.840 0.086 0.000 0.751 266 L CB -0.785 41.317 42.059 0.072 0.000 0.889 266 L HN 0.245 nan 8.230 nan 0.000 0.432 267 L N -0.362 120.907 121.223 0.076 0.000 2.551 267 L HA -0.200 4.140 4.340 -0.000 0.000 0.230 267 L C 2.628 179.563 176.870 0.108 0.000 1.163 267 L CA 0.776 55.662 54.840 0.078 0.000 0.826 267 L CB -0.683 41.346 42.059 -0.050 0.000 0.943 267 L HN 0.394 nan 8.230 nan 0.000 0.452 268 R N 0.814 121.363 120.500 0.083 0.000 2.148 268 R HA -0.059 4.281 4.340 -0.000 0.000 0.223 268 R C 1.308 177.667 176.300 0.099 0.000 1.088 268 R CA 0.800 56.939 56.100 0.066 0.000 0.985 268 R CB 0.165 30.485 30.300 0.034 0.000 0.880 268 R HN 0.335 nan 8.270 nan 0.000 0.451 269 R N -0.488 120.090 120.500 0.131 0.000 2.609 269 R HA 0.089 4.429 4.340 -0.000 0.000 0.326 269 R C -0.819 175.584 176.300 0.172 0.000 1.090 269 R CA -0.281 55.900 56.100 0.135 0.000 1.072 269 R CB 0.240 30.618 30.300 0.130 0.000 1.330 269 R HN -0.004 nan 8.270 nan 0.000 0.572 270 F N 1.563 121.532 119.950 0.032 0.000 2.334 270 F HA 0.407 4.934 4.527 -0.000 0.000 0.367 270 F C 0.728 176.541 175.800 0.022 0.000 1.115 270 F CA -0.204 57.813 58.000 0.028 0.000 1.116 270 F CB 0.352 39.365 39.000 0.022 0.000 1.230 270 F HN 0.301 nan 8.300 nan 0.000 0.484 271 A N 3.066 125.846 122.820 -0.067 0.000 5.813 271 A HA -0.194 4.126 4.320 -0.000 0.000 0.291 271 A C 0.303 177.928 177.584 0.070 0.000 1.970 271 A CA 0.978 53.004 52.037 -0.018 0.000 0.717 271 A CB -2.077 16.928 19.000 0.008 0.000 1.222 271 A HN 1.587 nan 8.150 nan 0.000 0.377 272 S N -1.480 114.263 115.700 0.071 0.000 2.726 272 S HA 0.628 5.098 4.470 -0.000 0.000 0.308 272 S C 0.634 175.271 174.600 0.060 0.000 1.115 272 S CA 0.741 58.974 58.200 0.055 0.000 0.965 272 S CB 1.760 64.973 63.200 0.021 0.000 1.145 272 S HN 1.440 nan 8.310 nan 0.000 0.532 273 E N 0.854 121.073 120.200 0.031 0.000 2.033 273 E HA -0.220 4.130 4.350 -0.000 0.000 0.199 273 E C 1.926 178.531 176.600 0.009 0.000 1.011 273 E CA 2.210 58.620 56.400 0.016 0.000 0.815 273 E CB -0.806 28.893 29.700 -0.002 0.000 0.755 273 E HN 0.731 nan 8.360 nan 0.000 0.451 274 Q N -0.597 119.199 119.800 -0.007 0.000 2.173 274 Q HA -0.158 4.182 4.340 -0.000 0.000 0.208 274 Q C 2.222 178.220 176.000 -0.003 0.000 0.989 274 Q CA 1.907 57.699 55.803 -0.018 0.000 0.872 274 Q CB -0.221 28.496 28.738 -0.035 0.000 0.909 274 Q HN 0.221 nan 8.270 nan 0.000 0.420 275 V N -0.134 119.796 119.914 0.026 0.000 2.535 275 V HA -0.145 3.975 4.120 -0.000 0.000 0.246 275 V C 2.056 178.193 176.094 0.072 0.000 1.045 275 V CA 1.335 63.665 62.300 0.050 0.000 1.058 275 V CB -0.326 31.541 31.823 0.073 0.000 0.689 275 V HN 0.265 nan 8.190 nan 0.000 0.461 276 R N -0.173 120.377 120.500 0.083 0.000 2.105 276 R HA -0.172 4.168 4.340 -0.000 0.000 0.239 276 R C 2.269 178.561 176.300 -0.013 0.000 1.135 276 R CA 1.187 57.313 56.100 0.044 0.000 0.967 276 R CB -0.257 30.064 30.300 0.035 0.000 0.861 276 R HN 0.460 nan 8.270 nan 0.000 0.442 277 Q N -0.020 119.771 119.800 -0.015 0.000 2.508 277 Q HA -0.090 4.250 4.340 -0.000 0.000 0.214 277 Q C 1.743 177.715 176.000 -0.045 0.000 0.979 277 Q CA 1.338 57.120 55.803 -0.035 0.000 0.911 277 Q CB 0.432 29.148 28.738 -0.036 0.000 0.969 277 Q HN 0.426 nan 8.270 nan 0.000 0.504 278 V N -5.793 114.101 119.914 -0.034 0.000 3.332 278 V HA 0.471 4.591 4.120 -0.000 0.000 0.263 278 V C 0.808 176.882 176.094 -0.033 0.000 1.562 278 V CA 0.190 62.462 62.300 -0.047 0.000 1.040 278 V CB -0.210 31.580 31.823 -0.055 0.000 0.857 278 V HN 0.007 nan 8.190 nan 0.000 0.428 279 A N 2.021 124.841 122.820 0.000 0.000 2.346 279 A HA 0.707 5.027 4.320 -0.000 0.000 0.252 279 A C 0.553 178.127 177.584 -0.016 0.000 1.089 279 A CA 0.750 52.804 52.037 0.029 0.000 0.797 279 A CB 0.173 19.254 19.000 0.136 0.000 1.047 279 A HN 1.080 nan 8.150 nan 0.000 0.494 280 T N -1.663 112.889 114.554 -0.005 0.000 2.906 280 T HA 0.501 4.851 4.350 -0.000 0.000 0.295 280 T C 0.731 175.420 174.700 -0.018 0.000 1.075 280 T CA -0.236 61.843 62.100 -0.034 0.000 1.005 280 T CB 1.078 69.933 68.868 -0.022 0.000 1.136 280 T HN 0.652 nan 8.240 nan 0.000 0.498 281 I N 1.006 121.549 120.570 -0.045 0.000 2.761 281 I HA 0.174 4.344 4.170 -0.000 0.000 0.261 281 I C 2.131 178.266 176.117 0.029 0.000 1.198 281 I CA 1.137 62.423 61.300 -0.023 0.000 1.482 281 I CB -0.670 37.295 38.000 -0.059 0.000 1.100 281 I HN 0.926 nan 8.210 nan 0.000 0.445 282 G N 0.718 109.529 108.800 0.018 0.000 2.587 282 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 282 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 282 G C 1.594 176.545 174.900 0.086 0.000 1.240 282 G CA 0.801 45.926 45.100 0.042 0.000 0.794 282 G HN 0.488 nan 8.290 nan 0.000 0.580 283 G N 0.472 109.315 108.800 0.073 0.000 2.503 283 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.221 283 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.221 283 G C 1.681 176.669 174.900 0.146 0.000 1.131 283 G CA 1.257 46.413 45.100 0.093 0.000 0.756 283 G HN 0.535 nan 8.290 nan 0.000 0.572 284 N N 0.194 118.989 118.700 0.158 0.000 2.166 284 N HA -0.069 4.670 4.740 -0.000 0.000 0.186 284 N C 2.275 177.937 175.510 0.254 0.000 1.019 284 N CA 1.026 54.208 53.050 0.221 0.000 0.856 284 N CB -0.120 38.522 38.487 0.258 0.000 0.993 284 N HN 0.401 nan 8.380 nan 0.000 0.426 285 I N 0.750 121.476 120.570 0.260 0.000 2.333 285 I HA -0.127 4.042 4.170 -0.000 0.000 0.246 285 I C 2.487 178.880 176.117 0.459 0.000 1.106 285 I CA 0.650 62.186 61.300 0.393 0.000 1.411 285 I CB -0.269 37.895 38.000 0.273 0.000 1.082 285 I HN 0.100 nan 8.210 nan 0.000 0.420 286 A N 0.962 123.979 122.820 0.329 0.000 1.930 286 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 286 A C 2.008 179.777 177.584 0.309 0.000 1.175 286 A CA 2.146 54.392 52.037 0.348 0.000 0.627 286 A CB -0.876 18.273 19.000 0.249 0.000 0.815 286 A HN 0.477 nan 8.150 nan 0.000 0.443 287 N N -0.509 118.351 118.700 0.267 0.000 2.443 287 N HA 0.031 4.771 4.740 -0.000 0.000 0.184 287 N C 1.157 176.825 175.510 0.264 0.000 1.037 287 N CA 1.530 54.728 53.050 0.246 0.000 0.896 287 N CB -0.326 38.279 38.487 0.197 0.000 0.959 287 N HN 0.633 nan 8.380 nan 0.000 0.442 288 G N -0.577 108.428 108.800 0.342 0.000 2.180 288 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.263 288 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.263 288 G C 0.114 175.161 174.900 0.245 0.000 0.989 288 G CA 0.780 46.113 45.100 0.389 0.000 0.692 288 G HN 0.632 nan 8.290 nan 0.000 0.526 289 S N 1.032 116.844 115.700 0.188 0.000 2.537 289 S HA 0.405 4.875 4.470 -0.000 0.000 0.286 289 S C 0.014 174.642 174.600 0.047 0.000 1.299 289 S CA -0.230 58.050 58.200 0.133 0.000 1.067 289 S CB 1.097 64.364 63.200 0.112 0.000 0.864 289 S HN 0.241 nan 8.310 nan 0.000 0.494 290 P HA 0.098 nan 4.420 nan 0.000 0.242 290 P C 0.488 177.771 177.300 -0.028 0.000 1.197 290 P CA 0.643 63.729 63.100 -0.024 0.000 0.765 290 P CB -0.076 31.626 31.700 0.003 0.000 0.936 291 I N -1.507 119.060 120.570 -0.005 0.000 4.081 291 I HA 0.197 4.367 4.170 -0.000 0.000 0.333 291 I C 1.217 177.328 176.117 -0.010 0.000 1.413 291 I CA -0.426 60.867 61.300 -0.012 0.000 1.110 291 I CB 0.173 38.167 38.000 -0.011 0.000 1.082 291 I HN -0.145 nan 8.210 nan 0.000 0.402 292 G N 1.144 109.946 108.800 0.003 0.000 2.474 292 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.233 292 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.233 292 G C 0.319 175.251 174.900 0.054 0.000 1.278 292 G CA -0.024 45.099 45.100 0.039 0.000 0.861 292 G HN 0.193 nan 8.290 nan 0.000 0.567 293 D N 1.597 122.068 120.400 0.118 0.000 2.277 293 D HA -0.033 4.607 4.640 -0.000 0.000 0.209 293 D C 2.503 178.915 176.300 0.187 0.000 0.970 293 D CA 0.978 55.071 54.000 0.156 0.000 0.874 293 D CB -0.196 40.723 40.800 0.198 0.000 0.982 293 D HN 0.508 nan 8.370 nan 0.000 0.504 294 G N 2.650 111.610 108.800 0.267 0.000 2.721 294 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 294 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 294 G C -0.816 174.146 174.900 0.103 0.000 1.265 294 G CA 1.077 46.272 45.100 0.158 0.000 0.796 294 G HN 0.233 nan 8.290 nan 0.000 0.620 295 P HA -0.156 nan 4.420 nan 0.000 0.216 295 P C -1.224 176.104 177.300 0.046 0.000 1.167 295 P CA 2.869 66.026 63.100 0.094 0.000 0.933 295 P CB -0.893 30.798 31.700 -0.016 0.000 0.793 296 P HA -0.221 nan 4.420 nan 0.000 0.216 296 P C 1.379 178.661 177.300 -0.031 0.000 1.153 296 P CA 2.331 65.419 63.100 -0.020 0.000 0.858 296 P CB -0.677 31.005 31.700 -0.030 0.000 0.789 297 A N -0.066 122.745 122.820 -0.015 0.000 1.827 297 A HA -0.222 4.098 4.320 -0.000 0.000 0.215 297 A C 2.202 179.770 177.584 -0.027 0.000 1.212 297 A CA 1.914 53.934 52.037 -0.029 0.000 0.624 297 A CB -1.737 17.259 19.000 -0.007 0.000 0.853 297 A HN 0.059 nan 8.150 nan 0.000 0.450 298 L N -0.677 120.541 121.223 -0.008 0.000 2.082 298 L HA -0.319 4.021 4.340 -0.000 0.000 0.223 298 L C 2.593 179.470 176.870 0.012 0.000 1.086 298 L CA 2.053 56.890 54.840 -0.004 0.000 0.793 298 L CB -0.916 41.161 42.059 0.029 0.000 0.896 298 L HN 0.459 nan 8.230 nan 0.000 0.441 299 I N -0.374 120.216 120.570 0.033 0.000 2.286 299 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 299 I C 2.784 178.904 176.117 0.005 0.000 1.115 299 I CA 1.093 62.419 61.300 0.042 0.000 1.392 299 I CB -0.404 37.636 38.000 0.067 0.000 1.065 299 I HN 0.227 nan 8.210 nan 0.000 0.418 300 A N 1.207 124.009 122.820 -0.030 0.000 1.969 300 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 300 A C 2.263 179.827 177.584 -0.033 0.000 1.169 300 A CA 1.647 53.651 52.037 -0.056 0.000 0.635 300 A CB -0.587 18.352 19.000 -0.103 0.000 0.810 300 A HN 0.597 nan 8.150 nan 0.000 0.445 301 M N -1.528 118.055 119.600 -0.027 0.000 2.530 301 M HA 0.399 4.879 4.480 -0.000 0.000 0.231 301 M C 0.923 177.224 176.300 0.002 0.000 1.180 301 M CA 0.657 55.949 55.300 -0.013 0.000 0.985 301 M CB -0.385 32.189 32.600 -0.042 0.000 1.623 301 M HN 0.570 nan 8.290 nan 0.000 0.475 302 G N 1.774 110.577 108.800 0.005 0.000 2.356 302 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.296 302 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.296 302 G C 0.242 175.153 174.900 0.019 0.000 1.022 302 G CA 0.304 45.413 45.100 0.017 0.000 0.961 302 G HN 0.997 nan 8.290 nan 0.000 0.510 303 A N -0.528 122.301 122.820 0.015 0.000 2.251 303 A HA 0.914 5.234 4.320 -0.000 0.000 0.278 303 A C 0.960 178.553 177.584 0.015 0.000 1.206 303 A CA 0.788 52.833 52.037 0.013 0.000 0.822 303 A CB 0.668 19.669 19.000 0.002 0.000 1.187 303 A HN 2.160 nan 8.150 nan 0.000 0.504 304 S N -1.693 114.007 115.700 0.001 0.000 2.627 304 S HA 0.693 5.163 4.470 -0.000 0.000 0.283 304 S C -1.111 173.463 174.600 -0.043 0.000 1.127 304 S CA -0.618 57.574 58.200 -0.013 0.000 0.863 304 S CB 1.245 64.436 63.200 -0.015 0.000 1.121 304 S HN 1.467 nan 8.310 nan 0.000 0.479 305 L N 0.896 122.073 121.223 -0.078 0.000 2.362 305 L HA 0.808 5.148 4.340 -0.000 0.000 0.271 305 L C -0.924 175.850 176.870 -0.159 0.000 1.002 305 L CA 0.063 54.816 54.840 -0.145 0.000 0.818 305 L CB 2.298 44.215 42.059 -0.235 0.000 1.298 305 L HN 0.916 nan 8.230 nan 0.000 0.420 306 T N 5.477 119.925 114.554 -0.178 0.000 2.864 306 T HA 0.527 4.877 4.350 -0.000 0.000 0.310 306 T C -0.112 174.454 174.700 -0.224 0.000 1.040 306 T CA -0.341 61.659 62.100 -0.168 0.000 0.977 306 T CB 0.378 69.168 68.868 -0.130 0.000 0.976 306 T HN 0.419 nan 8.240 nan 0.000 0.459 307 L N 2.770 123.859 121.223 -0.223 0.000 2.454 307 L HA 0.743 5.083 4.340 -0.000 0.000 0.256 307 L C 0.464 177.169 176.870 -0.275 0.000 1.136 307 L CA -1.012 53.679 54.840 -0.248 0.000 0.804 307 L CB 0.854 42.810 42.059 -0.172 0.000 1.181 307 L HN 0.511 nan 8.230 nan 0.000 0.469 308 R N 1.079 121.355 120.500 -0.373 0.000 2.522 308 R HA 0.341 4.680 4.340 -0.000 0.000 0.273 308 R C -1.375 174.788 176.300 -0.229 0.000 1.133 308 R CA -0.663 55.213 56.100 -0.373 0.000 0.969 308 R CB 1.271 31.241 30.300 -0.549 0.000 1.235 308 R HN 0.589 nan 8.270 nan 0.000 0.433 309 R N 3.605 124.082 120.500 -0.037 0.000 2.487 309 R HA 0.339 4.679 4.340 -0.000 0.000 0.288 309 R C 0.022 176.378 176.300 0.093 0.000 1.394 309 R CA 0.659 56.807 56.100 0.081 0.000 1.155 309 R CB 1.139 31.462 30.300 0.040 0.000 1.156 309 R HN 1.001 nan 8.270 nan 0.000 0.553 310 G N 2.939 111.843 108.800 0.172 0.000 3.377 310 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.304 310 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.304 310 G C 0.530 175.497 174.900 0.110 0.000 1.366 310 G CA 0.525 45.711 45.100 0.143 0.000 1.020 310 G HN 0.560 nan 8.290 nan 0.000 0.621 311 Q N 0.183 120.021 119.800 0.063 0.000 2.185 311 Q HA 0.208 4.548 4.340 -0.000 0.000 0.234 311 Q C 0.277 176.286 176.000 0.015 0.000 0.819 311 Q CA -0.294 55.534 55.803 0.042 0.000 0.961 311 Q CB 0.728 29.489 28.738 0.038 0.000 1.140 311 Q HN 0.557 nan 8.270 nan 0.000 0.492 312 E N 1.198 121.403 120.200 0.009 0.000 2.409 312 E HA 0.189 4.539 4.350 -0.000 0.000 0.257 312 E C -0.398 176.181 176.600 -0.035 0.000 1.150 312 E CA 0.327 56.721 56.400 -0.010 0.000 0.942 312 E CB 0.673 30.368 29.700 -0.008 0.000 0.979 312 E HN 0.020 nan 8.360 nan 0.000 0.447 313 R N 1.125 121.600 120.500 -0.042 0.000 2.659 313 R HA 0.210 4.550 4.340 -0.000 0.000 0.290 313 R C -0.367 175.897 176.300 -0.060 0.000 1.253 313 R CA -0.295 55.765 56.100 -0.067 0.000 1.010 313 R CB 1.031 31.294 30.300 -0.062 0.000 1.236 313 R HN 0.375 nan 8.270 nan 0.000 0.413 314 R N 1.172 121.630 120.500 -0.071 0.000 2.584 314 R HA 0.485 4.825 4.340 -0.000 0.000 0.253 314 R C -0.149 176.108 176.300 -0.072 0.000 1.251 314 R CA -0.583 55.481 56.100 -0.058 0.000 1.129 314 R CB 0.725 30.995 30.300 -0.050 0.000 1.239 314 R HN 0.375 nan 8.270 nan 0.000 0.595 315 R N 1.204 121.668 120.500 -0.060 0.000 2.943 315 R HA 0.079 4.419 4.340 -0.000 0.000 0.276 315 R C -1.185 175.089 176.300 -0.044 0.000 1.076 315 R CA -0.147 55.915 56.100 -0.064 0.000 0.899 315 R CB 0.330 30.598 30.300 -0.054 0.000 1.424 315 R HN 0.633 nan 8.270 nan 0.000 0.344 316 M N 1.241 120.812 119.600 -0.047 0.000 2.753 316 M HA 0.728 5.207 4.480 -0.000 0.000 0.299 316 M C -2.638 173.652 176.300 -0.017 0.000 1.219 316 M CA -2.269 53.020 55.300 -0.018 0.000 0.900 316 M CB 1.181 33.784 32.600 0.004 0.000 1.628 316 M HN 0.029 nan 8.290 nan 0.000 0.502 317 P HA 0.167 nan 4.420 nan 0.000 0.276 317 P C 0.745 178.078 177.300 0.056 0.000 1.235 317 P CA -0.398 62.719 63.100 0.028 0.000 0.772 317 P CB 0.535 32.259 31.700 0.039 0.000 0.871 318 L N 4.292 125.553 121.223 0.065 0.000 2.030 318 L HA -0.295 4.045 4.340 -0.000 0.000 0.222 318 L C 2.202 179.226 176.870 0.258 0.000 1.082 318 L CA 2.217 57.136 54.840 0.132 0.000 0.785 318 L CB -1.044 41.112 42.059 0.161 0.000 0.895 318 L HN 0.507 nan 8.230 nan 0.000 0.439 319 E N -1.175 119.174 120.200 0.248 0.000 2.209 319 E HA -0.279 4.071 4.350 -0.000 0.000 0.196 319 E C 1.549 178.328 176.600 0.299 0.000 0.993 319 E CA 1.874 58.471 56.400 0.329 0.000 0.819 319 E CB -0.913 28.912 29.700 0.208 0.000 0.745 319 E HN 0.644 nan 8.360 nan 0.000 0.477 320 D N -0.245 120.267 120.400 0.187 0.000 2.348 320 D HA -0.047 4.593 4.640 -0.000 0.000 0.216 320 D C 1.065 177.449 176.300 0.141 0.000 0.970 320 D CA 0.351 54.434 54.000 0.139 0.000 0.889 320 D CB -0.273 40.582 40.800 0.091 0.000 0.912 320 D HN 0.134 nan 8.370 nan 0.000 0.524 321 F N 0.239 120.116 119.950 -0.121 0.000 2.456 321 F HA 0.161 4.688 4.527 -0.000 0.000 0.298 321 F C -0.180 175.363 175.800 -0.428 0.000 1.104 321 F CA 0.147 57.943 58.000 -0.340 0.000 1.435 321 F CB -0.078 38.546 39.000 -0.627 0.000 1.078 321 F HN -0.237 nan 8.300 nan 0.000 0.546 322 F N 1.069 121.019 119.950 -0.001 0.000 2.385 322 F HA 0.305 4.832 4.527 -0.000 0.000 0.360 322 F C 0.736 176.512 175.800 -0.039 0.000 1.122 322 F CA -0.568 57.372 58.000 -0.101 0.000 1.090 322 F CB 0.923 39.931 39.000 0.014 0.000 1.150 322 F HN -0.243 nan 8.300 nan 0.000 0.472 323 L N 1.042 122.300 121.223 0.059 0.000 2.265 323 L HA 0.340 4.680 4.340 -0.000 0.000 0.195 323 L C 0.236 177.153 176.870 0.079 0.000 1.083 323 L CA 0.498 55.369 54.840 0.051 0.000 0.798 323 L CB 0.051 42.108 42.059 -0.003 0.000 0.989 323 L HN 0.474 nan 8.230 nan 0.000 0.472 324 E N -1.238 119.009 120.200 0.078 0.000 2.413 324 E HA 0.182 4.532 4.350 -0.000 0.000 0.277 324 E C -1.636 175.056 176.600 0.153 0.000 0.958 324 E CA -0.943 55.523 56.400 0.110 0.000 0.779 324 E CB 2.043 31.789 29.700 0.075 0.000 1.278 324 E HN -0.027 nan 8.360 nan 0.000 0.456 325 Y N 3.302 123.625 120.300 0.039 0.000 2.847 325 Y HA -0.196 4.354 4.550 -0.000 0.000 0.370 325 Y C 0.417 176.337 175.900 0.034 0.000 1.335 325 Y CA 0.708 58.831 58.100 0.038 0.000 1.693 325 Y CB -0.328 38.149 38.460 0.029 0.000 1.209 325 Y HN 0.595 nan 8.280 nan 0.000 0.517 326 R N 2.407 122.844 120.500 -0.104 0.000 3.591 326 R HA -0.174 4.166 4.340 -0.000 0.000 0.323 326 R C -0.851 175.370 176.300 -0.132 0.000 1.141 326 R CA 0.788 56.734 56.100 -0.256 0.000 0.834 326 R CB -1.469 28.461 30.300 -0.617 0.000 1.453 326 R HN 0.694 nan 8.270 nan 0.000 0.479 327 K N 0.917 121.283 120.400 -0.057 0.000 2.606 327 K HA 0.276 4.596 4.320 -0.000 0.000 0.259 327 K C -1.282 175.247 176.600 -0.118 0.000 1.001 327 K CA -0.372 55.872 56.287 -0.071 0.000 0.881 327 K CB 1.193 33.661 32.500 -0.052 0.000 1.288 327 K HN -0.024 nan 8.250 nan 0.000 0.452 328 Q N 1.092 120.763 119.800 -0.216 0.000 2.359 328 Q HA 0.326 4.666 4.340 -0.000 0.000 0.275 328 Q C -1.002 174.800 176.000 -0.330 0.000 1.082 328 Q CA -0.858 54.641 55.803 -0.506 0.000 0.849 328 Q CB 1.364 29.487 28.738 -1.025 0.000 1.377 328 Q HN 0.468 nan 8.270 nan 0.000 0.452 329 D N 1.237 121.429 120.400 -0.347 0.000 2.671 329 D HA 0.060 4.700 4.640 -0.000 0.000 0.228 329 D C -0.876 175.532 176.300 0.181 0.000 1.102 329 D CA 0.158 54.155 54.000 -0.005 0.000 1.044 329 D CB -0.102 40.769 40.800 0.117 0.000 1.113 329 D HN 0.282 nan 8.370 nan 0.000 0.480 330 R N 1.408 121.982 120.500 0.123 0.000 2.686 330 R HA 0.436 4.776 4.340 -0.000 0.000 0.283 330 R C -0.616 175.751 176.300 0.112 0.000 0.978 330 R CA -0.819 55.402 56.100 0.201 0.000 0.897 330 R CB 1.335 31.796 30.300 0.268 0.000 1.192 330 R HN 0.010 nan 8.270 nan 0.000 0.457 331 R N 3.717 124.278 120.500 0.102 0.000 2.532 331 R HA 0.360 4.700 4.340 -0.000 0.000 0.295 331 R C -2.471 173.848 176.300 0.032 0.000 0.968 331 R CA -2.370 53.760 56.100 0.051 0.000 0.916 331 R CB 1.350 31.668 30.300 0.031 0.000 1.124 331 R HN 0.500 nan 8.270 nan 0.000 0.463 332 P HA -0.146 nan 4.420 nan 0.000 0.252 332 P C 0.788 178.005 177.300 -0.138 0.000 1.147 332 P CA 1.583 64.641 63.100 -0.070 0.000 0.779 332 P CB -0.001 31.658 31.700 -0.069 0.000 0.733 333 G N 2.289 110.902 108.800 -0.311 0.000 2.234 333 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.235 333 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.235 333 G C 0.194 175.027 174.900 -0.113 0.000 0.997 333 G CA -0.208 44.596 45.100 -0.493 0.000 0.623 333 G HN 0.580 nan 8.290 nan 0.000 0.514 334 E N 0.519 120.777 120.200 0.096 0.000 2.338 334 E HA 0.559 4.909 4.350 -0.000 0.000 0.272 334 E C 0.033 176.955 176.600 0.535 0.000 1.029 334 E CA -0.663 55.888 56.400 0.251 0.000 0.872 334 E CB 0.194 29.971 29.700 0.129 0.000 1.015 334 E HN 0.553 nan 8.360 nan 0.000 0.417 335 F N 1.255 121.381 119.950 0.293 0.000 2.603 335 F HA 0.559 5.086 4.527 -0.000 0.000 0.317 335 F C -1.153 174.688 175.800 0.067 0.000 1.066 335 F CA -1.365 56.757 58.000 0.203 0.000 0.941 335 F CB 0.624 39.703 39.000 0.133 0.000 1.291 335 F HN 0.043 nan 8.300 nan 0.000 0.472 336 V N 1.960 121.968 119.914 0.156 0.000 2.508 336 V HA 0.109 4.229 4.120 -0.000 0.000 0.281 336 V C 0.622 176.701 176.094 -0.024 0.000 1.041 336 V CA 0.463 62.731 62.300 -0.053 0.000 1.016 336 V CB 0.976 32.788 31.823 -0.019 0.000 0.984 336 V HN 1.037 nan 8.190 nan 0.000 0.478 337 E N 3.745 123.841 120.200 -0.173 0.000 2.453 337 E HA 0.214 4.564 4.350 -0.000 0.000 0.211 337 E C 0.359 176.926 176.600 -0.055 0.000 0.897 337 E CA 0.640 56.982 56.400 -0.097 0.000 1.063 337 E CB 0.817 30.381 29.700 -0.226 0.000 1.080 337 E HN 0.817 nan 8.360 nan 0.000 0.512 338 S N -1.019 114.627 115.700 -0.089 0.000 2.710 338 S HA 0.383 4.853 4.470 -0.000 0.000 0.274 338 S C -0.985 173.562 174.600 -0.088 0.000 1.029 338 S CA -0.520 57.637 58.200 -0.073 0.000 0.864 338 S CB 0.772 63.935 63.200 -0.061 0.000 1.103 338 S HN 0.426 nan 8.310 nan 0.000 0.460 339 V N -1.151 118.721 119.914 -0.070 0.000 3.074 339 V HA 0.996 5.116 4.120 -0.000 0.000 0.314 339 V C -0.561 175.508 176.094 -0.041 0.000 1.117 339 V CA -0.699 61.564 62.300 -0.061 0.000 1.014 339 V CB 1.498 33.293 31.823 -0.047 0.000 1.057 339 V HN 1.162 nan 8.190 nan 0.000 0.438 340 T N 3.090 117.630 114.554 -0.023 0.000 2.879 340 T HA 0.693 5.043 4.350 -0.000 0.000 0.290 340 T C -0.616 174.103 174.700 0.030 0.000 0.993 340 T CA -0.348 61.755 62.100 0.005 0.000 0.975 340 T CB 1.203 70.069 68.868 -0.003 0.000 0.981 340 T HN 0.678 nan 8.240 nan 0.000 0.439 341 L N 4.396 125.670 121.223 0.084 0.000 2.331 341 L HA 0.562 4.902 4.340 -0.000 0.000 0.275 341 L C -2.070 174.916 176.870 0.194 0.000 1.022 341 L CA -2.692 52.218 54.840 0.116 0.000 0.812 341 L CB 1.329 43.466 42.059 0.131 0.000 1.257 341 L HN 0.318 nan 8.230 nan 0.000 0.435 342 P HA 0.033 nan 4.420 nan 0.000 0.270 342 P C -0.276 177.207 177.300 0.305 0.000 1.223 342 P CA -0.330 62.871 63.100 0.168 0.000 0.785 342 P CB 0.850 32.640 31.700 0.150 0.000 0.923 343 K N -0.248 120.235 120.400 0.139 0.000 2.211 343 K HA -0.002 4.318 4.320 -0.000 0.000 0.203 343 K C 1.176 177.876 176.600 0.166 0.000 1.050 343 K CA 1.188 57.550 56.287 0.124 0.000 0.945 343 K CB -0.151 32.315 32.500 -0.056 0.000 0.732 343 K HN 0.550 nan 8.250 nan 0.000 0.451 344 S N -1.534 114.244 115.700 0.131 0.000 2.565 344 S HA 0.602 5.071 4.470 -0.000 0.000 0.269 344 S C -1.942 172.733 174.600 0.125 0.000 1.153 344 S CA -0.267 57.948 58.200 0.025 0.000 0.835 344 S CB 2.050 65.232 63.200 -0.030 0.000 1.122 344 S HN 0.127 nan 8.310 nan 0.000 0.462 345 A N 3.322 126.203 122.820 0.102 0.000 3.208 345 A HA 0.562 4.882 4.320 -0.000 0.000 0.252 345 A C -2.656 174.979 177.584 0.084 0.000 1.225 345 A CA -0.637 51.475 52.037 0.125 0.000 0.980 345 A CB 0.195 19.317 19.000 0.203 0.000 1.414 345 A HN 0.555 nan 8.150 nan 0.000 0.721 346 P HA -0.035 nan 4.420 nan 0.000 0.228 346 P C 1.545 178.865 177.300 0.033 0.000 1.151 346 P CA 1.854 64.964 63.100 0.017 0.000 0.770 346 P CB 0.300 31.997 31.700 -0.004 0.000 0.786 347 G N -1.058 107.772 108.800 0.050 0.000 2.777 347 G HA2 0.012 3.972 3.960 -0.000 0.000 0.211 347 G HA3 0.012 3.972 3.960 -0.000 0.000 0.211 347 G C 0.434 175.426 174.900 0.152 0.000 1.149 347 G CA -0.104 45.047 45.100 0.086 0.000 0.785 347 G HN 0.189 nan 8.290 nan 0.000 0.536 348 L N 0.456 121.739 121.223 0.101 0.000 2.499 348 L HA 0.567 4.907 4.340 -0.000 0.000 0.281 348 L C 0.101 177.029 176.870 0.098 0.000 1.234 348 L CA 0.024 54.912 54.840 0.080 0.000 0.839 348 L CB 0.614 42.712 42.059 0.064 0.000 1.104 348 L HN 0.152 nan 8.230 nan 0.000 0.500 349 R N 2.293 122.821 120.500 0.047 0.000 2.603 349 R HA 0.416 4.756 4.340 -0.000 0.000 0.280 349 R C -1.804 174.300 176.300 -0.327 0.000 1.185 349 R CA -0.220 55.857 56.100 -0.039 0.000 1.039 349 R CB 0.757 31.154 30.300 0.161 0.000 1.247 349 R HN 0.742 nan 8.270 nan 0.000 0.413 350 C N 4.656 123.791 119.300 -0.275 0.000 2.298 350 C HA 0.564 5.024 4.460 -0.000 0.000 0.323 350 C C -0.761 174.151 174.990 -0.129 0.000 1.284 350 C CA -0.764 58.098 59.018 -0.260 0.000 1.577 350 C CB -0.072 27.628 27.740 -0.067 0.000 2.249 350 C HN 0.727 nan 8.230 nan 0.000 0.497 351 Y N 1.427 121.763 120.300 0.060 0.000 2.352 351 Y HA 0.533 5.083 4.550 -0.000 0.000 0.339 351 Y C 0.236 176.180 175.900 0.073 0.000 0.992 351 Y CA -0.842 57.304 58.100 0.076 0.000 1.100 351 Y CB 1.371 39.883 38.460 0.087 0.000 1.192 351 Y HN 0.560 nan 8.280 nan 0.000 0.458 352 K N 3.149 123.703 120.400 0.256 0.000 2.221 352 K HA 0.632 4.952 4.320 -0.000 0.000 0.258 352 K C -2.030 174.667 176.600 0.162 0.000 0.944 352 K CA -0.817 55.574 56.287 0.173 0.000 0.823 352 K CB 1.347 33.941 32.500 0.157 0.000 1.113 352 K HN 0.585 nan 8.250 nan 0.000 0.431 353 L N 3.574 124.862 121.223 0.109 0.000 2.404 353 L HA 0.524 4.864 4.340 -0.000 0.000 0.272 353 L C -1.174 175.730 176.870 0.057 0.000 0.980 353 L CA 0.211 55.100 54.840 0.081 0.000 0.836 353 L CB 1.576 43.661 42.059 0.044 0.000 1.238 353 L HN 0.875 nan 8.230 nan 0.000 0.408 354 S N 3.289 119.004 115.700 0.025 0.000 2.911 354 S HA 0.589 5.059 4.470 -0.000 0.000 0.319 354 S C 0.471 175.034 174.600 -0.061 0.000 1.154 354 S CA -0.800 57.398 58.200 -0.004 0.000 0.857 354 S CB 1.507 64.703 63.200 -0.006 0.000 1.279 354 S HN 0.518 nan 8.310 nan 0.000 0.593 355 K N -0.278 120.075 120.400 -0.078 0.000 2.202 355 K HA 0.237 4.557 4.320 -0.000 0.000 0.201 355 K C 0.689 177.177 176.600 -0.186 0.000 1.051 355 K CA 0.324 56.542 56.287 -0.115 0.000 0.977 355 K CB 0.219 32.672 32.500 -0.078 0.000 0.792 355 K HN 0.491 nan 8.250 nan 0.000 0.469 356 R N -0.462 119.943 120.500 -0.157 0.000 2.750 356 R HA 0.203 4.543 4.340 -0.000 0.000 0.281 356 R C 0.259 176.481 176.300 -0.130 0.000 0.972 356 R CA -0.358 55.643 56.100 -0.165 0.000 0.912 356 R CB 0.853 31.125 30.300 -0.047 0.000 1.187 356 R HN -0.128 nan 8.270 nan 0.000 0.464 357 F N 0.375 120.334 119.950 0.016 0.000 2.113 357 F HA -0.065 4.462 4.527 -0.000 0.000 0.297 357 F C 0.589 176.398 175.800 0.015 0.000 1.103 357 F CA 0.756 58.766 58.000 0.018 0.000 1.248 357 F CB 0.240 39.249 39.000 0.015 0.000 0.999 357 F HN 0.407 nan 8.300 nan 0.000 0.475 358 D N 0.155 120.685 120.400 0.218 0.000 2.175 358 D HA 0.182 4.822 4.640 -0.000 0.000 0.248 358 D C -0.167 176.176 176.300 0.072 0.000 1.047 358 D CA -0.277 53.796 54.000 0.122 0.000 0.883 358 D CB 1.199 42.048 40.800 0.082 0.000 1.180 358 D HN -0.006 nan 8.370 nan 0.000 0.438 359 Q N 1.139 120.969 119.800 0.051 0.000 2.447 359 Q HA -0.236 4.104 4.340 -0.000 0.000 0.348 359 Q C -1.629 174.376 176.000 0.009 0.000 1.421 359 Q CA 0.755 56.571 55.803 0.022 0.000 0.978 359 Q CB -0.850 27.902 28.738 0.023 0.000 1.191 359 Q HN 0.407 nan 8.270 nan 0.000 0.371 360 D N 0.311 120.711 120.400 0.001 0.000 2.552 360 D HA 0.602 5.242 4.640 -0.000 0.000 0.239 360 D C -0.682 175.598 176.300 -0.033 0.000 1.139 360 D CA -0.564 53.431 54.000 -0.010 0.000 0.914 360 D CB 1.153 41.954 40.800 0.001 0.000 1.461 360 D HN 0.336 nan 8.370 nan 0.000 0.462 361 I N 1.182 121.732 120.570 -0.033 0.000 2.437 361 I HA 0.245 4.415 4.170 -0.000 0.000 0.298 361 I C 0.303 176.407 176.117 -0.021 0.000 0.984 361 I CA -0.504 60.769 61.300 -0.045 0.000 1.214 361 I CB 1.637 39.613 38.000 -0.039 0.000 1.365 361 I HN 0.197 nan 8.210 nan 0.000 0.469 362 S N 4.176 119.865 115.700 -0.017 0.000 2.576 362 S HA 0.198 4.668 4.470 -0.000 0.000 0.276 362 S C 0.957 175.558 174.600 0.003 0.000 1.339 362 S CA -0.425 57.779 58.200 0.006 0.000 1.039 362 S CB 1.580 64.788 63.200 0.014 0.000 0.902 362 S HN 0.775 nan 8.310 nan 0.000 0.516 363 A N 2.490 125.319 122.820 0.015 0.000 2.021 363 A HA 0.435 4.755 4.320 -0.000 0.000 0.216 363 A C 0.429 177.994 177.584 -0.031 0.000 1.163 363 A CA 0.417 52.460 52.037 0.010 0.000 0.676 363 A CB 0.157 19.198 19.000 0.069 0.000 0.818 363 A HN 0.608 nan 8.150 nan 0.000 0.453 364 V N -1.332 118.569 119.914 -0.022 0.000 2.882 364 V HA 0.286 4.406 4.120 -0.000 0.000 0.295 364 V C -1.416 174.708 176.094 0.049 0.000 1.273 364 V CA -0.879 61.403 62.300 -0.029 0.000 0.949 364 V CB 1.093 32.860 31.823 -0.093 0.000 1.071 364 V HN 0.236 nan 8.190 nan 0.000 0.432 365 C N 3.852 123.205 119.300 0.088 0.000 2.340 365 C HA 0.883 5.343 4.460 -0.000 0.000 0.323 365 C C 0.650 175.723 174.990 0.138 0.000 1.260 365 C CA 0.074 59.156 59.018 0.107 0.000 1.464 365 C CB 0.096 27.875 27.740 0.065 0.000 2.156 365 C HN 1.185 nan 8.230 nan 0.000 0.476 366 G N 4.635 113.503 108.800 0.113 0.000 2.422 366 G HA2 0.585 4.545 3.960 -0.000 0.000 0.317 366 G HA3 0.585 4.545 3.960 -0.000 0.000 0.317 366 G C -0.823 173.910 174.900 -0.277 0.000 1.210 366 G CA -0.165 44.870 45.100 -0.110 0.000 0.930 366 G HN 0.908 nan 8.290 nan 0.000 0.468 367 C N 2.782 121.832 119.300 -0.417 0.000 2.298 367 C HA 0.682 5.142 4.460 -0.000 0.000 0.323 367 C C -0.261 174.498 174.990 -0.385 0.000 1.284 367 C CA -0.658 58.158 59.018 -0.335 0.000 1.577 367 C CB -0.067 27.546 27.740 -0.211 0.000 2.249 367 C HN 0.589 nan 8.230 nan 0.000 0.497 368 L N 4.086 125.085 121.223 -0.374 0.000 2.362 368 L HA 0.585 4.925 4.340 -0.000 0.000 0.275 368 L C -0.209 176.476 176.870 -0.308 0.000 0.998 368 L CA 0.063 54.629 54.840 -0.457 0.000 0.820 368 L CB 1.238 42.794 42.059 -0.839 0.000 1.270 368 L HN 0.586 nan 8.230 nan 0.000 0.415 369 N N 3.627 122.176 118.700 -0.253 0.000 2.581 369 N HA 0.467 5.207 4.740 -0.000 0.000 0.279 369 N C -1.848 173.615 175.510 -0.077 0.000 1.124 369 N CA -0.238 52.766 53.050 -0.078 0.000 0.833 369 N CB 0.970 39.431 38.487 -0.044 0.000 1.338 369 N HN 0.473 nan 8.380 nan 0.000 0.533 370 L N 1.962 123.180 121.223 -0.008 0.000 2.329 370 L HA 0.578 4.918 4.340 -0.000 0.000 0.279 370 L C -0.027 176.801 176.870 -0.070 0.000 1.014 370 L CA -0.648 54.157 54.840 -0.060 0.000 0.814 370 L CB 2.054 44.064 42.059 -0.081 0.000 1.257 370 L HN 0.332 nan 8.230 nan 0.000 0.424 371 T N 3.825 118.326 114.554 -0.088 0.000 2.823 371 T HA 0.644 4.994 4.350 -0.000 0.000 0.279 371 T C -0.178 174.456 174.700 -0.110 0.000 0.998 371 T CA -0.463 61.587 62.100 -0.082 0.000 0.994 371 T CB 1.788 70.628 68.868 -0.047 0.000 0.960 371 T HN 0.259 nan 8.240 nan 0.000 0.448 372 L N 2.332 123.487 121.223 -0.112 0.000 2.334 372 L HA 0.661 5.001 4.340 -0.000 0.000 0.272 372 L C 0.247 177.084 176.870 -0.055 0.000 1.020 372 L CA -1.051 53.724 54.840 -0.108 0.000 0.812 372 L CB 1.362 43.336 42.059 -0.143 0.000 1.264 372 L HN 0.366 nan 8.230 nan 0.000 0.439 373 K N 1.604 121.981 120.400 -0.038 0.000 2.724 373 K HA 0.388 4.708 4.320 -0.000 0.000 0.198 373 K C -0.144 176.453 176.600 -0.006 0.000 1.099 373 K CA -0.314 55.962 56.287 -0.018 0.000 1.025 373 K CB 0.341 32.833 32.500 -0.013 0.000 1.509 373 K HN 0.673 nan 8.250 nan 0.000 0.564 374 G N 1.863 110.660 108.800 -0.004 0.000 2.527 374 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.183 374 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.183 374 G C 0.470 175.389 174.900 0.031 0.000 0.167 374 G CA 0.971 46.079 45.100 0.013 0.000 1.085 374 G HN 1.155 nan 8.290 nan 0.000 0.502 375 S N 0.422 116.157 115.700 0.060 0.000 2.378 375 S HA -0.270 4.200 4.470 -0.000 0.000 0.240 375 S C 1.010 175.667 174.600 0.095 0.000 1.229 375 S CA 2.659 60.916 58.200 0.095 0.000 1.607 375 S CB -1.003 62.238 63.200 0.068 0.000 2.074 375 S HN 1.177 nan 8.310 nan 0.000 0.620 376 K N 0.849 121.279 120.400 0.049 0.000 2.164 376 K HA 0.591 4.911 4.320 -0.000 0.000 0.258 376 K C -0.241 176.361 176.600 0.003 0.000 0.951 376 K CA -0.619 55.690 56.287 0.037 0.000 0.844 376 K CB 1.141 33.654 32.500 0.020 0.000 1.099 376 K HN 0.424 nan 8.250 nan 0.000 0.435 377 I N 3.578 124.151 120.570 0.005 0.000 2.301 377 I HA 0.024 4.194 4.170 -0.000 0.000 0.292 377 I C 1.362 177.455 176.117 -0.040 0.000 1.046 377 I CA -0.202 61.074 61.300 -0.040 0.000 1.282 377 I CB 0.922 38.912 38.000 -0.017 0.000 1.409 377 I HN 0.567 nan 8.210 nan 0.000 0.484 378 E N 3.888 124.056 120.200 -0.052 0.000 2.022 378 E HA 0.054 4.404 4.350 -0.000 0.000 0.190 378 E C 0.362 176.938 176.600 -0.039 0.000 0.973 378 E CA 1.167 57.544 56.400 -0.039 0.000 0.816 378 E CB 0.287 29.964 29.700 -0.037 0.000 0.781 378 E HN 0.532 nan 8.360 nan 0.000 0.456 379 T N 0.068 114.594 114.554 -0.047 0.000 2.885 379 T HA 0.692 5.042 4.350 -0.000 0.000 0.285 379 T C -0.696 173.970 174.700 -0.057 0.000 1.019 379 T CA -0.569 61.505 62.100 -0.043 0.000 1.010 379 T CB 1.922 70.770 68.868 -0.033 0.000 1.022 379 T HN 0.146 nan 8.240 nan 0.000 0.466 380 A N 2.806 125.593 122.820 -0.054 0.000 2.651 380 A HA 0.523 4.843 4.320 -0.000 0.000 0.290 380 A C -0.187 177.366 177.584 -0.053 0.000 1.185 380 A CA -0.800 51.196 52.037 -0.069 0.000 0.746 380 A CB 0.628 19.576 19.000 -0.087 0.000 1.213 380 A HN 0.662 nan 8.150 nan 0.000 0.429 381 R N 2.474 122.939 120.500 -0.059 0.000 2.235 381 R HA 0.426 4.766 4.340 -0.000 0.000 0.338 381 R C -1.104 175.148 176.300 -0.081 0.000 1.087 381 R CA 0.042 56.114 56.100 -0.047 0.000 0.948 381 R CB 0.564 30.840 30.300 -0.039 0.000 1.099 381 R HN 0.647 nan 8.270 nan 0.000 0.483 382 I N 2.321 122.864 120.570 -0.045 0.000 2.382 382 I HA 0.368 4.538 4.170 -0.000 0.000 0.286 382 I C -0.121 175.937 176.117 -0.097 0.000 1.002 382 I CA -0.557 60.686 61.300 -0.095 0.000 1.135 382 I CB 1.894 39.912 38.000 0.030 0.000 1.288 382 I HN 0.499 nan 8.210 nan 0.000 0.448 383 A N 6.624 129.282 122.820 -0.269 0.000 2.355 383 A HA 0.911 5.231 4.320 -0.000 0.000 0.324 383 A C -1.287 176.009 177.584 -0.480 0.000 1.117 383 A CA -0.350 51.570 52.037 -0.195 0.000 0.785 383 A CB 1.034 19.982 19.000 -0.086 0.000 1.254 383 A HN 0.560 nan 8.150 nan 0.000 0.453 384 F N 0.098 120.061 119.950 0.022 0.000 2.576 384 F HA 0.634 5.160 4.527 -0.000 0.000 0.313 384 F C 0.742 176.492 175.800 -0.082 0.000 1.078 384 F CA -0.387 57.553 58.000 -0.101 0.000 0.921 384 F CB 2.864 41.663 39.000 -0.335 0.000 1.232 384 F HN 0.767 nan 8.300 nan 0.000 0.459 385 G N -0.119 108.758 108.800 0.129 0.000 2.416 385 G HA2 0.480 4.440 3.960 -0.000 0.000 0.329 385 G HA3 0.480 4.440 3.960 -0.000 0.000 0.329 385 G C 0.450 175.349 174.900 -0.002 0.000 1.173 385 G CA -0.308 44.813 45.100 0.034 0.000 0.929 385 G HN 1.280 nan 8.290 nan 0.000 0.475 386 G N 1.279 110.060 108.800 -0.033 0.000 2.159 386 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.256 386 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.256 386 G C 1.030 175.858 174.900 -0.119 0.000 0.977 386 G CA 0.721 45.783 45.100 -0.064 0.000 0.652 386 G HN 0.534 nan 8.290 nan 0.000 0.531 387 M N -0.043 119.461 119.600 -0.160 0.000 2.371 387 M HA 0.635 5.115 4.480 -0.000 0.000 0.246 387 M C 0.966 177.260 176.300 -0.011 0.000 1.103 387 M CA 0.940 56.082 55.300 -0.263 0.000 1.010 387 M CB -0.244 31.853 32.600 -0.837 0.000 1.457 387 M HN 1.239 nan 8.290 nan 0.000 0.486 388 A N -1.509 121.333 122.820 0.036 0.000 2.410 388 A HA 0.605 4.925 4.320 -0.000 0.000 0.300 388 A C 0.765 178.347 177.584 -0.003 0.000 1.077 388 A CA -0.123 51.952 52.037 0.064 0.000 0.610 388 A CB -0.725 18.394 19.000 0.198 0.000 1.371 388 A HN 0.197 nan 8.150 nan 0.000 0.510 389 G N -1.120 107.670 108.800 -0.017 0.000 2.586 389 G HA2 0.360 4.320 3.960 -0.000 0.000 0.215 389 G HA3 0.360 4.320 3.960 -0.000 0.000 0.215 389 G C 0.477 175.427 174.900 0.083 0.000 1.128 389 G CA 1.641 46.721 45.100 -0.034 0.000 0.774 389 G HN 1.735 nan 8.290 nan 0.000 0.543 390 V N -0.628 119.326 119.914 0.067 0.000 3.120 390 V HA 0.545 4.665 4.120 -0.000 0.000 0.303 390 V C -2.634 173.459 176.094 -0.001 0.000 1.238 390 V CA -2.030 60.295 62.300 0.041 0.000 1.008 390 V CB 2.851 34.741 31.823 0.111 0.000 1.064 390 V HN -0.061 nan 8.190 nan 0.000 0.434 391 P HA 0.427 nan 4.420 nan 0.000 0.282 391 P C -1.733 175.592 177.300 0.041 0.000 1.274 391 P CA -0.076 62.970 63.100 -0.091 0.000 0.770 391 P CB 0.264 31.777 31.700 -0.311 0.000 0.867 392 K N 1.871 122.384 120.400 0.188 0.000 2.508 392 K HA 0.546 4.866 4.320 -0.000 0.000 0.260 392 K C -0.618 176.149 176.600 0.278 0.000 0.949 392 K CA -1.149 55.265 56.287 0.212 0.000 0.834 392 K CB 1.881 34.488 32.500 0.179 0.000 1.365 392 K HN 0.094 nan 8.250 nan 0.000 0.437 393 R N 0.637 121.243 120.500 0.178 0.000 2.615 393 R HA 0.265 4.605 4.340 -0.000 0.000 0.270 393 R C 0.013 176.434 176.300 0.201 0.000 1.081 393 R CA -0.091 56.115 56.100 0.176 0.000 1.154 393 R CB 0.979 31.339 30.300 0.099 0.000 1.063 393 R HN 0.790 nan 8.270 nan 0.000 0.519 394 A N 2.003 124.998 122.820 0.291 0.000 3.197 394 A HA 0.319 4.639 4.320 -0.000 0.000 0.263 394 A C 1.422 179.103 177.584 0.161 0.000 1.524 394 A CA 0.326 52.522 52.037 0.265 0.000 1.176 394 A CB -0.526 18.837 19.000 0.605 0.000 1.096 394 A HN 0.910 nan 8.150 nan 0.000 0.655 395 A N 1.401 124.257 122.820 0.060 0.000 1.900 395 A HA -0.245 4.075 4.320 -0.000 0.000 0.250 395 A C 2.546 180.168 177.584 0.063 0.000 2.132 395 A CA 3.124 55.186 52.037 0.041 0.000 0.861 395 A CB -1.460 17.540 19.000 -0.000 0.000 0.830 395 A HN 1.725 nan 8.150 nan 0.000 0.499 396 A N -2.454 120.398 122.820 0.053 0.000 1.958 396 A HA -0.114 4.206 4.320 -0.000 0.000 0.221 396 A C 2.067 179.737 177.584 0.143 0.000 1.178 396 A CA 2.318 54.401 52.037 0.075 0.000 0.642 396 A CB -0.707 18.332 19.000 0.065 0.000 0.816 396 A HN 0.922 nan 8.150 nan 0.000 0.453 397 F N 0.367 120.346 119.950 0.048 0.000 2.074 397 F HA -0.038 4.489 4.527 -0.000 0.000 0.293 397 F C 2.218 178.057 175.800 0.064 0.000 1.116 397 F CA 1.767 59.814 58.000 0.078 0.000 1.212 397 F CB -0.719 38.366 39.000 0.141 0.000 0.998 397 F HN 0.365 nan 8.300 nan 0.000 0.471 398 E N 0.334 120.555 120.200 0.035 0.000 2.068 398 E HA -0.341 4.009 4.350 -0.000 0.000 0.207 398 E C 2.268 178.804 176.600 -0.106 0.000 1.032 398 E CA 1.459 57.818 56.400 -0.068 0.000 0.839 398 E CB -0.651 29.055 29.700 0.011 0.000 0.758 398 E HN 0.473 nan 8.360 nan 0.000 0.457 399 A N 1.642 124.436 122.820 -0.044 0.000 1.862 399 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 399 A C 2.390 179.935 177.584 -0.065 0.000 1.251 399 A CA 2.394 54.408 52.037 -0.038 0.000 0.673 399 A CB -1.271 17.725 19.000 -0.007 0.000 0.843 399 A HN 0.370 nan 8.150 nan 0.000 0.458 400 A N -1.955 120.828 122.820 -0.062 0.000 2.285 400 A HA 0.082 4.402 4.320 -0.000 0.000 0.214 400 A C 1.789 179.307 177.584 -0.110 0.000 1.188 400 A CA 1.549 53.550 52.037 -0.061 0.000 0.707 400 A CB -0.476 18.509 19.000 -0.025 0.000 0.771 400 A HN 0.471 nan 8.150 nan 0.000 0.488 401 L N -0.643 120.479 121.223 -0.168 0.000 2.298 401 L HA 0.312 4.652 4.340 -0.000 0.000 0.209 401 L C 0.934 177.755 176.870 -0.082 0.000 1.084 401 L CA 0.532 55.267 54.840 -0.174 0.000 0.816 401 L CB -0.258 41.630 42.059 -0.285 0.000 0.967 401 L HN 0.353 nan 8.230 nan 0.000 0.460 402 I N -0.032 120.496 120.570 -0.069 0.000 2.775 402 I HA 0.145 4.315 4.170 -0.000 0.000 0.290 402 I C 1.645 177.748 176.117 -0.023 0.000 1.203 402 I CA 0.933 62.208 61.300 -0.041 0.000 1.433 402 I CB -0.079 37.900 38.000 -0.036 0.000 1.354 402 I HN 0.479 nan 8.210 nan 0.000 0.579 403 G N 3.942 112.735 108.800 -0.012 0.000 2.328 403 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.256 403 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.256 403 G C 0.472 175.379 174.900 0.011 0.000 1.014 403 G CA -0.281 44.819 45.100 -0.001 0.000 0.620 403 G HN 0.581 nan 8.290 nan 0.000 0.530 404 Q N 1.066 120.873 119.800 0.012 0.000 2.443 404 Q HA 0.299 4.639 4.340 -0.000 0.000 0.232 404 Q C -0.192 175.844 176.000 0.060 0.000 1.026 404 Q CA -0.118 55.702 55.803 0.029 0.000 0.924 404 Q CB 0.408 29.158 28.738 0.020 0.000 1.256 404 Q HN 0.381 nan 8.270 nan 0.000 0.519 405 D N 0.844 121.286 120.400 0.070 0.000 2.350 405 D HA 0.035 4.675 4.640 -0.000 0.000 0.249 405 D C -0.441 175.964 176.300 0.174 0.000 1.119 405 D CA -0.074 53.989 54.000 0.104 0.000 0.886 405 D CB 0.280 41.122 40.800 0.070 0.000 1.195 405 D HN 0.274 nan 8.370 nan 0.000 0.437 406 F N 3.919 123.884 119.950 0.025 0.000 2.662 406 F HA 0.154 4.681 4.527 -0.000 0.000 0.365 406 F C 0.552 176.378 175.800 0.045 0.000 1.222 406 F CA -0.087 57.938 58.000 0.042 0.000 1.315 406 F CB -0.503 38.526 39.000 0.048 0.000 1.711 406 F HN 0.057 nan 8.300 nan 0.000 0.651 407 R N 1.146 121.584 120.500 -0.103 0.000 2.873 407 R HA 0.211 4.551 4.340 -0.000 0.000 0.264 407 R C 1.364 177.556 176.300 -0.180 0.000 1.026 407 R CA -0.569 55.432 56.100 -0.166 0.000 1.002 407 R CB 1.465 31.733 30.300 -0.052 0.000 1.174 407 R HN 0.450 nan 8.270 nan 0.000 0.488 408 E N 0.914 121.024 120.200 -0.150 0.000 2.038 408 E HA -0.258 4.092 4.350 -0.000 0.000 0.195 408 E C 0.797 177.383 176.600 -0.023 0.000 1.000 408 E CA 2.465 58.812 56.400 -0.088 0.000 0.803 408 E CB -0.028 29.635 29.700 -0.061 0.000 0.750 408 E HN 0.690 nan 8.360 nan 0.000 0.448 409 D N -0.033 120.358 120.400 -0.014 0.000 2.221 409 D HA -0.222 4.418 4.640 -0.000 0.000 0.204 409 D C 2.035 178.352 176.300 0.029 0.000 0.982 409 D CA 2.008 56.014 54.000 0.011 0.000 0.857 409 D CB -1.152 39.653 40.800 0.008 0.000 0.934 409 D HN 0.455 nan 8.370 nan 0.000 0.475 410 T N -0.790 113.778 114.554 0.025 0.000 2.737 410 T HA -0.113 4.237 4.350 -0.000 0.000 0.265 410 T C 2.053 176.797 174.700 0.073 0.000 1.038 410 T CA 0.757 62.883 62.100 0.043 0.000 1.144 410 T CB -0.480 68.413 68.868 0.042 0.000 0.866 410 T HN 0.055 nan 8.240 nan 0.000 0.434 411 I N 2.891 123.514 120.570 0.089 0.000 2.208 411 I HA -0.135 4.034 4.170 -0.000 0.000 0.245 411 I C 3.212 179.448 176.117 0.199 0.000 1.097 411 I CA 1.382 62.788 61.300 0.177 0.000 1.363 411 I CB -1.871 36.244 38.000 0.190 0.000 1.051 411 I HN 0.405 nan 8.210 nan 0.000 0.413 412 A N 0.894 123.785 122.820 0.119 0.000 1.917 412 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 412 A C 2.364 180.012 177.584 0.106 0.000 1.182 412 A CA 2.224 54.319 52.037 0.097 0.000 0.633 412 A CB -0.704 18.329 19.000 0.056 0.000 0.819 412 A HN 0.457 nan 8.150 nan 0.000 0.448 413 A N -1.471 121.411 122.820 0.102 0.000 2.251 413 A HA 0.555 4.875 4.320 -0.000 0.000 0.209 413 A C 1.919 179.582 177.584 0.132 0.000 1.187 413 A CA 1.093 53.185 52.037 0.092 0.000 0.823 413 A CB -0.410 18.628 19.000 0.063 0.000 0.846 413 A HN 0.946 nan 8.150 nan 0.000 0.486 414 A N -0.591 122.357 122.820 0.213 0.000 2.220 414 A HA 0.342 4.662 4.320 -0.000 0.000 0.211 414 A C 1.759 179.643 177.584 0.499 0.000 1.176 414 A CA 0.192 52.429 52.037 0.333 0.000 0.834 414 A CB -0.338 18.822 19.000 0.267 0.000 0.868 414 A HN 0.402 nan 8.150 nan 0.000 0.488 415 L N -0.057 121.349 121.223 0.304 0.000 2.043 415 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 415 L C -0.616 176.244 176.870 -0.017 0.000 1.075 415 L CA 1.523 56.380 54.840 0.028 0.000 0.752 415 L CB -1.506 40.547 42.059 -0.009 0.000 0.891 415 L HN 0.212 nan 8.230 nan 0.000 0.432 416 P HA -0.174 nan 4.420 nan 0.000 0.219 416 P C 1.761 179.091 177.300 0.050 0.000 1.146 416 P CA 1.262 64.382 63.100 0.033 0.000 0.808 416 P CB 0.010 31.738 31.700 0.047 0.000 0.779 417 L N -1.808 119.487 121.223 0.121 0.000 2.275 417 L HA -0.123 4.217 4.340 -0.000 0.000 0.215 417 L C 2.282 179.216 176.870 0.106 0.000 1.119 417 L CA 0.930 55.859 54.840 0.148 0.000 0.790 417 L CB -0.822 41.390 42.059 0.255 0.000 0.919 417 L HN -0.033 nan 8.230 nan 0.000 0.443 418 L N -0.465 120.766 121.223 0.014 0.000 2.201 418 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 418 L C 2.676 179.588 176.870 0.069 0.000 1.105 418 L CA 0.835 55.683 54.840 0.013 0.000 0.775 418 L CB -0.534 41.408 42.059 -0.195 0.000 0.913 418 L HN 0.259 nan 8.230 nan 0.000 0.440 419 A N -0.965 121.864 122.820 0.015 0.000 2.178 419 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 419 A C 2.132 179.727 177.584 0.018 0.000 1.157 419 A CA 1.256 53.302 52.037 0.015 0.000 0.689 419 A CB -0.200 18.800 19.000 -0.001 0.000 0.787 419 A HN 0.528 nan 8.150 nan 0.000 0.465 420 Q N -1.228 118.580 119.800 0.013 0.000 2.394 420 Q HA -0.028 4.312 4.340 -0.000 0.000 0.218 420 Q C 0.844 176.797 176.000 -0.079 0.000 0.907 420 Q CA 0.535 56.328 55.803 -0.016 0.000 0.919 420 Q CB 0.168 28.906 28.738 -0.000 0.000 1.051 420 Q HN 0.558 nan 8.270 nan 0.000 0.538 421 D N -0.039 120.290 120.400 -0.119 0.000 2.183 421 D HA -0.029 4.611 4.640 -0.000 0.000 0.203 421 D C -0.137 175.717 176.300 -0.743 0.000 0.969 421 D CA 1.124 54.865 54.000 -0.432 0.000 0.842 421 D CB 0.297 40.818 40.800 -0.466 0.000 0.957 421 D HN 0.031 nan 8.370 nan 0.000 0.484 422 F N -0.855 119.061 119.950 -0.058 0.000 2.588 422 F HA 0.332 4.859 4.527 -0.000 0.000 0.310 422 F C 0.102 175.852 175.800 -0.083 0.000 1.082 422 F CA -0.847 57.105 58.000 -0.080 0.000 0.929 422 F CB 2.226 41.140 39.000 -0.143 0.000 1.254 422 F HN -0.524 nan 8.300 nan 0.000 0.455 423 T N 3.069 117.706 114.554 0.139 0.000 3.141 423 T HA 0.384 4.734 4.350 -0.000 0.000 0.377 423 T C -2.606 172.111 174.700 0.028 0.000 1.258 423 T CA -1.195 60.936 62.100 0.052 0.000 1.263 423 T CB 0.463 69.344 68.868 0.021 0.000 1.066 423 T HN 0.152 nan 8.240 nan 0.000 0.546 424 P HA 0.436 nan 4.420 nan 0.000 0.274 424 P C -0.356 176.920 177.300 -0.041 0.000 1.237 424 P CA -0.778 62.295 63.100 -0.044 0.000 0.793 424 P CB 0.712 32.351 31.700 -0.103 0.000 0.977 425 L N 0.345 121.538 121.223 -0.050 0.000 2.472 425 L HA 0.434 4.774 4.340 -0.000 0.000 0.256 425 L C 0.664 177.515 176.870 -0.033 0.000 1.111 425 L CA 0.153 54.967 54.840 -0.043 0.000 0.800 425 L CB 0.570 42.594 42.059 -0.059 0.000 1.286 425 L HN 0.324 nan 8.230 nan 0.000 0.479 426 S N -0.380 115.306 115.700 -0.024 0.000 2.532 426 S HA 0.706 5.176 4.470 -0.000 0.000 0.301 426 S C -1.117 173.474 174.600 -0.016 0.000 1.083 426 S CA -0.639 57.553 58.200 -0.013 0.000 1.025 426 S CB 1.674 64.868 63.200 -0.010 0.000 1.056 426 S HN 0.698 nan 8.310 nan 0.000 0.494 427 D N 0.870 121.263 120.400 -0.011 0.000 3.057 427 D HA 0.161 4.800 4.640 -0.000 0.000 0.328 427 D C 1.026 177.320 176.300 -0.010 0.000 1.317 427 D CA -0.649 53.344 54.000 -0.012 0.000 0.973 427 D CB -0.351 40.440 40.800 -0.015 0.000 1.424 427 D HN 0.414 nan 8.370 nan 0.000 0.569 428 M N -0.206 119.388 119.600 -0.009 0.000 2.394 428 M HA 0.129 4.609 4.480 -0.000 0.000 0.264 428 M C 1.189 177.479 176.300 -0.017 0.000 1.073 428 M CA 1.217 56.509 55.300 -0.013 0.000 1.111 428 M CB -1.076 31.517 32.600 -0.011 0.000 1.401 428 M HN 0.391 nan 8.290 nan 0.000 0.448 429 R N 1.381 121.876 120.500 -0.008 0.000 2.189 429 R HA 0.400 4.740 4.340 -0.000 0.000 0.218 429 R C 0.420 176.724 176.300 0.006 0.000 1.074 429 R CA 0.786 56.884 56.100 -0.004 0.000 0.991 429 R CB -0.075 30.228 30.300 0.006 0.000 0.883 429 R HN 0.595 nan 8.270 nan 0.000 0.457 430 A N 0.020 122.848 122.820 0.013 0.000 2.574 430 A HA 0.248 4.568 4.320 -0.000 0.000 0.298 430 A C -0.828 176.787 177.584 0.052 0.000 0.987 430 A CA -0.808 51.260 52.037 0.052 0.000 0.678 430 A CB 0.371 19.504 19.000 0.221 0.000 1.296 430 A HN 0.118 nan 8.150 nan 0.000 0.420 431 S N 1.187 116.924 115.700 0.062 0.000 2.610 431 S HA 0.631 5.101 4.470 -0.000 0.000 0.273 431 S C 1.486 176.122 174.600 0.060 0.000 1.274 431 S CA 0.313 58.541 58.200 0.046 0.000 1.023 431 S CB 1.464 64.680 63.200 0.027 0.000 0.962 431 S HN 2.337 nan 8.310 nan 0.000 0.523 432 A N 3.043 125.872 122.820 0.015 0.000 1.894 432 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 432 A C 2.448 180.028 177.584 -0.007 0.000 1.237 432 A CA 2.751 54.783 52.037 -0.009 0.000 0.660 432 A CB -1.857 17.135 19.000 -0.014 0.000 0.835 432 A HN 1.554 nan 8.150 nan 0.000 0.461 433 A N -2.004 120.826 122.820 0.016 0.000 1.883 433 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 433 A C 2.178 179.783 177.584 0.034 0.000 1.186 433 A CA 1.929 53.975 52.037 0.015 0.000 0.624 433 A CB -0.893 18.122 19.000 0.026 0.000 0.822 433 A HN 0.840 nan 8.150 nan 0.000 0.444 434 Y N 0.363 120.628 120.300 -0.058 0.000 2.128 434 Y HA -0.215 4.335 4.550 -0.000 0.000 0.284 434 Y C 2.530 178.380 175.900 -0.084 0.000 1.154 434 Y CA 2.105 60.167 58.100 -0.063 0.000 1.149 434 Y CB -0.449 37.978 38.460 -0.056 0.000 0.976 434 Y HN 0.257 nan 8.280 nan 0.000 0.505 435 R N -1.055 119.352 120.500 -0.154 0.000 2.091 435 R HA -0.235 4.105 4.340 -0.000 0.000 0.238 435 R C 2.242 178.351 176.300 -0.320 0.000 1.136 435 R CA 1.857 57.787 56.100 -0.284 0.000 0.959 435 R CB -0.413 29.783 30.300 -0.173 0.000 0.856 435 R HN 0.372 nan 8.270 nan 0.000 0.437 436 M N 1.153 120.620 119.600 -0.222 0.000 2.091 436 M HA -0.208 4.272 4.480 -0.000 0.000 0.259 436 M C 1.789 177.945 176.300 -0.239 0.000 1.076 436 M CA 1.708 56.874 55.300 -0.223 0.000 1.111 436 M CB -0.927 31.594 32.600 -0.131 0.000 1.291 436 M HN 0.052 nan 8.290 nan 0.000 0.417 437 N N -0.155 118.439 118.700 -0.177 0.000 2.314 437 N HA -0.188 4.552 4.740 -0.000 0.000 0.191 437 N C 1.321 176.703 175.510 -0.212 0.000 1.007 437 N CA 1.687 54.645 53.050 -0.154 0.000 0.883 437 N CB -0.016 38.420 38.487 -0.085 0.000 0.969 437 N HN 0.514 nan 8.380 nan 0.000 0.441 438 A N 0.544 123.164 122.820 -0.333 0.000 1.878 438 A HA 0.226 4.546 4.320 -0.000 0.000 0.213 438 A C 2.450 179.898 177.584 -0.228 0.000 1.192 438 A CA 1.257 53.095 52.037 -0.332 0.000 0.619 438 A CB -0.881 17.806 19.000 -0.521 0.000 0.837 438 A HN 0.370 nan 8.150 nan 0.000 0.446 439 A N -0.297 122.329 122.820 -0.324 0.000 1.903 439 A HA -0.324 3.996 4.320 -0.000 0.000 0.219 439 A C 2.115 179.595 177.584 -0.174 0.000 1.191 439 A CA 2.144 53.956 52.037 -0.375 0.000 0.638 439 A CB -0.775 17.712 19.000 -0.855 0.000 0.823 439 A HN 0.632 nan 8.150 nan 0.000 0.451 440 Q N -0.921 118.756 119.800 -0.206 0.000 2.061 440 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 440 Q C 2.437 178.412 176.000 -0.042 0.000 0.984 440 Q CA 1.721 57.440 55.803 -0.140 0.000 0.846 440 Q CB -0.455 28.205 28.738 -0.130 0.000 0.902 440 Q HN 0.713 nan 8.270 nan 0.000 0.421 441 A N 0.453 123.244 122.820 -0.049 0.000 1.948 441 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 441 A C 2.015 179.624 177.584 0.042 0.000 1.177 441 A CA 1.703 53.731 52.037 -0.014 0.000 0.636 441 A CB -0.554 18.418 19.000 -0.047 0.000 0.815 441 A HN 0.359 nan 8.150 nan 0.000 0.449 442 M N -0.783 118.873 119.600 0.094 0.000 2.229 442 M HA -0.114 4.365 4.480 -0.000 0.000 0.264 442 M C 2.468 178.962 176.300 0.323 0.000 1.063 442 M CA 1.117 56.560 55.300 0.239 0.000 1.114 442 M CB -0.380 32.458 32.600 0.396 0.000 1.387 442 M HN 0.517 nan 8.290 nan 0.000 0.420 443 A N 0.906 123.871 122.820 0.241 0.000 1.835 443 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 443 A C 2.039 179.787 177.584 0.273 0.000 1.199 443 A CA 1.456 53.662 52.037 0.282 0.000 0.615 443 A CB -1.099 18.041 19.000 0.233 0.000 0.838 443 A HN 0.439 nan 8.150 nan 0.000 0.444 444 L N -0.711 120.613 121.223 0.169 0.000 2.089 444 L HA -0.283 4.057 4.340 -0.000 0.000 0.213 444 L C 2.823 179.768 176.870 0.125 0.000 1.079 444 L CA 2.062 56.976 54.840 0.122 0.000 0.758 444 L CB -0.583 41.514 42.059 0.063 0.000 0.891 444 L HN 0.582 nan 8.230 nan 0.000 0.433 445 R N -0.562 120.013 120.500 0.126 0.000 2.070 445 R HA -0.258 4.082 4.340 -0.000 0.000 0.233 445 R C 2.481 178.899 176.300 0.197 0.000 1.137 445 R CA 1.813 57.955 56.100 0.069 0.000 0.945 445 R CB -0.687 29.540 30.300 -0.121 0.000 0.845 445 R HN 0.200 nan 8.270 nan 0.000 0.430 446 Y N 1.312 121.765 120.300 0.255 0.000 2.040 446 Y HA -0.342 4.208 4.550 -0.000 0.000 0.275 446 Y C 2.104 178.143 175.900 0.232 0.000 1.171 446 Y CA 2.388 60.679 58.100 0.317 0.000 1.123 446 Y CB -0.569 38.087 38.460 0.328 0.000 0.963 446 Y HN -0.034 nan 8.280 nan 0.000 0.493 447 V N 0.467 120.561 119.914 0.299 0.000 2.221 447 V HA -0.417 3.703 4.120 -0.000 0.000 0.244 447 V C 2.330 178.393 176.094 -0.050 0.000 1.043 447 V CA 2.408 64.699 62.300 -0.014 0.000 0.996 447 V CB -1.175 30.559 31.823 -0.148 0.000 0.636 447 V HN 0.341 nan 8.190 nan 0.000 0.454 448 R N -0.233 120.253 120.500 -0.023 0.000 2.189 448 R HA -0.325 4.015 4.340 -0.000 0.000 0.252 448 R C 2.454 178.741 176.300 -0.021 0.000 1.134 448 R CA 2.543 58.628 56.100 -0.024 0.000 0.954 448 R CB -0.590 29.706 30.300 -0.007 0.000 0.890 448 R HN 0.729 nan 8.270 nan 0.000 0.443 449 E N 0.610 120.806 120.200 -0.006 0.000 2.017 449 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 449 E C 2.124 178.698 176.600 -0.043 0.000 0.997 449 E CA 1.166 57.557 56.400 -0.014 0.000 0.804 449 E CB -0.056 29.663 29.700 0.032 0.000 0.757 449 E HN 0.294 nan 8.360 nan 0.000 0.448 450 L N 0.798 121.962 121.223 -0.098 0.000 2.081 450 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 450 L C 2.449 179.328 176.870 0.015 0.000 1.080 450 L CA 1.324 56.132 54.840 -0.054 0.000 0.754 450 L CB -0.458 41.588 42.059 -0.021 0.000 0.893 450 L HN 0.180 nan 8.230 nan 0.000 0.433 451 S N 0.316 116.017 115.700 0.002 0.000 2.906 451 S HA 0.119 4.589 4.470 -0.000 0.000 0.234 451 S C 1.260 175.856 174.600 -0.006 0.000 0.973 451 S CA 0.233 58.433 58.200 0.000 0.000 1.036 451 S CB -0.749 62.424 63.200 -0.045 0.000 0.798 451 S HN 0.590 nan 8.310 nan 0.000 0.498 452 G N 0.804 109.600 108.800 -0.005 0.000 2.323 452 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.292 452 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.292 452 G C -0.280 174.615 174.900 -0.009 0.000 1.040 452 G CA 0.599 45.696 45.100 -0.006 0.000 0.942 452 G HN 0.746 nan 8.290 nan 0.000 0.506 453 E N -0.394 119.799 120.200 -0.012 0.000 2.232 453 E HA 0.733 5.083 4.350 -0.000 0.000 0.264 453 E C 0.476 177.070 176.600 -0.011 0.000 0.973 453 E CA -0.490 55.903 56.400 -0.012 0.000 0.849 453 E CB 1.340 31.031 29.700 -0.015 0.000 1.198 453 E HN 0.677 nan 8.360 nan 0.000 0.407 454 A N 2.078 124.892 122.820 -0.010 0.000 2.354 454 A HA 0.377 4.697 4.320 -0.000 0.000 0.281 454 A C 0.044 177.620 177.584 -0.014 0.000 1.174 454 A CA -0.277 51.754 52.037 -0.010 0.000 0.828 454 A CB 0.678 19.673 19.000 -0.008 0.000 1.099 454 A HN 0.401 nan 8.150 nan 0.000 0.516 455 V N 1.835 121.738 119.914 -0.018 0.000 3.283 455 V HA 0.224 4.344 4.120 -0.000 0.000 0.265 455 V C 0.927 176.999 176.094 -0.037 0.000 1.672 455 V CA 0.724 63.006 62.300 -0.030 0.000 1.020 455 V CB 0.135 31.934 31.823 -0.041 0.000 0.854 455 V HN 1.030 nan 8.190 nan 0.000 0.408 456 A N 0.158 122.961 122.820 -0.028 0.000 2.260 456 A HA 0.553 4.872 4.320 -0.000 0.000 0.312 456 A C 1.033 178.599 177.584 -0.029 0.000 1.321 456 A CA 0.028 52.046 52.037 -0.031 0.000 0.928 456 A CB 1.227 20.210 19.000 -0.028 0.000 1.158 456 A HN 0.043 nan 8.150 nan 0.000 0.542 457 V N 3.333 123.241 119.914 -0.010 0.000 2.594 457 V HA -0.201 3.919 4.120 -0.000 0.000 0.253 457 V C 2.120 178.173 176.094 -0.068 0.000 1.069 457 V CA 1.962 64.263 62.300 0.003 0.000 1.082 457 V CB -0.483 31.398 31.823 0.096 0.000 0.680 457 V HN 0.871 nan 8.190 nan 0.000 0.469 458 L N -0.626 120.500 121.223 -0.161 0.000 2.552 458 L HA -0.021 4.319 4.340 -0.000 0.000 0.227 458 L C 1.948 178.739 176.870 -0.132 0.000 1.146 458 L CA 0.897 55.593 54.840 -0.240 0.000 0.858 458 L CB -0.221 41.609 42.059 -0.381 0.000 0.969 458 L HN 0.416 nan 8.230 nan 0.000 0.451 459 E N -1.022 119.130 120.200 -0.081 0.000 2.481 459 E HA 0.076 4.426 4.350 -0.000 0.000 0.198 459 E C 0.153 176.731 176.600 -0.036 0.000 1.027 459 E CA -0.221 56.147 56.400 -0.052 0.000 0.900 459 E CB 0.870 30.547 29.700 -0.037 0.000 0.993 459 E HN 0.098 nan 8.360 nan 0.000 0.482 460 V N 3.283 123.177 119.914 -0.033 0.000 2.508 460 V HA 0.032 4.152 4.120 -0.000 0.000 0.281 460 V C 0.312 176.396 176.094 -0.017 0.000 1.041 460 V CA 0.301 62.590 62.300 -0.019 0.000 1.016 460 V CB 0.607 32.424 31.823 -0.010 0.000 0.984 460 V HN 0.213 nan 8.190 nan 0.000 0.478 461 M N 5.866 125.458 119.600 -0.012 0.000 2.367 461 M HA 0.500 4.980 4.480 -0.000 0.000 0.339 461 M C -1.646 174.652 176.300 -0.003 0.000 1.177 461 M CA -1.877 53.417 55.300 -0.009 0.000 1.068 461 M CB 0.199 32.795 32.600 -0.008 0.000 1.602 461 M HN 0.421 nan 8.290 nan 0.000 0.457 462 P HA 0.000 nan 4.420 nan 0.000 0.216 462 P CA 0.000 63.102 63.100 0.004 0.000 0.800 462 P CB 0.000 31.704 31.700 0.006 0.000 0.726