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 2d6f_1_D DATA FIRST_RESID 1 DATA SEQUENCE MDWEKVGLKM GLEIHQQLDT ESKLFCPCRT ELTDSEPDHD IVRNLRPTXX DATA SEQUENCE XXXXXXRAAF EEAMRKLHFH YENYHEETCL VEADEEPPHP LNPEALEIAV DATA SEQUENCE TIALLLNMRV VDEFHTMRKQ VIDGSNTGGF QRTGLVATDG HLETPQGTVK DATA SEQUENCE IENLCLEEDA ARRIRETGDG VVFRLDRLGI PLVEITTDPS MSDPQQLREV DATA SEQUENCE AYQIGQILRS TRVKRGLGTI RQDLNISIRD GARVEVKGVQ DLDLIPEIVE DATA SEQUENCE REVKRQLSLV EIRDTLQERG AVVEDKIFDV SEVFADTESR IISSAESVLA DATA SEQUENCE VKLRGFDGLI GVEIQPGRRL GTEMADYAKK RGVSGIFHTD ELPAYGITEE DATA SEQUENCE EVRGLRDAVG ASQGDAVVMV AHERVTAENA LREVIRRAEM AIQGVPEETR DATA SEQUENCE KALPDGNTQY LRPLPTSSRM YLETDIPLFR IEDDLLEGIR RNLPELPSEK DATA SEQUENCE KERIMRDYGL SEDLASQLVK RNLVDEFXXX XXXXXDTTVI ASLLAYTLRE DATA SEQUENCE LRREGHDVDG LGLDELRDAI KLLEVGKISK DALRDIVA 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 0.000 175.761 176.300 -0.899 0.000 1.140 1 M CA 0.000 54.760 55.300 -0.901 0.000 0.988 1 M CB 0.000 31.982 32.600 -1.031 0.000 1.302 2 D N 0.281 120.288 120.400 -0.655 0.000 2.720 2 D HA -0.243 4.396 4.640 -0.001 0.000 0.229 2 D C 0.300 176.461 176.300 -0.231 0.000 1.198 2 D CA 1.716 55.502 54.000 -0.355 0.000 0.639 2 D CB -0.922 39.761 40.800 -0.194 0.000 1.003 2 D HN 0.715 nan 8.370 nan 0.000 0.411 3 W N 0.508 121.812 121.300 0.008 0.000 2.280 3 W HA -0.298 4.362 4.660 -0.001 0.000 0.332 3 W C 2.373 178.897 176.519 0.009 0.000 1.300 3 W CA 1.194 58.544 57.345 0.009 0.000 1.274 3 W CB -0.452 29.015 29.460 0.010 0.000 1.141 3 W HN 0.241 nan 8.180 nan 0.000 0.474 4 E N 0.090 120.429 120.200 0.231 0.000 2.396 4 E HA -0.179 4.171 4.350 -0.001 0.000 0.200 4 E C 1.851 178.501 176.600 0.082 0.000 1.023 4 E CA 0.798 57.279 56.400 0.134 0.000 0.857 4 E CB -0.111 29.649 29.700 0.100 0.000 0.775 4 E HN 0.227 nan 8.360 nan 0.000 0.525 5 K N -0.160 120.276 120.400 0.059 0.000 2.284 5 K HA 0.040 4.360 4.320 -0.001 0.000 0.198 5 K C 1.809 178.431 176.600 0.037 0.000 1.048 5 K CA 0.434 56.738 56.287 0.027 0.000 0.987 5 K CB 0.234 32.727 32.500 -0.012 0.000 0.800 5 K HN 0.034 nan 8.250 nan 0.000 0.486 6 V N 0.340 120.293 119.914 0.066 0.000 3.541 6 V HA 0.120 4.240 4.120 -0.001 0.000 0.267 6 V C 0.961 177.106 176.094 0.086 0.000 1.213 6 V CA 0.716 63.061 62.300 0.075 0.000 1.149 6 V CB -0.674 31.213 31.823 0.107 0.000 0.822 6 V HN 0.496 nan 8.190 nan 0.000 0.462 7 G N 1.317 110.173 108.800 0.093 0.000 2.248 7 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.263 7 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.263 7 G C -0.233 174.719 174.900 0.087 0.000 1.082 7 G CA 0.230 45.378 45.100 0.079 0.000 0.863 7 G HN 0.416 nan 8.290 nan 0.000 0.495 8 L N 0.472 121.770 121.223 0.124 0.000 2.462 8 L HA 0.623 4.962 4.340 -0.001 0.000 0.272 8 L C -0.111 176.786 176.870 0.046 0.000 1.166 8 L CA -0.189 54.708 54.840 0.095 0.000 0.880 8 L CB 0.480 42.616 42.059 0.128 0.000 1.142 8 L HN 0.130 nan 8.230 nan 0.000 0.473 9 K N 7.240 127.653 120.400 0.023 0.000 2.579 9 K HA 0.467 4.787 4.320 -0.001 0.000 0.250 9 K C -0.908 175.688 176.600 -0.007 0.000 0.952 9 K CA -0.240 56.054 56.287 0.011 0.000 0.857 9 K CB 1.641 34.154 32.500 0.021 0.000 1.123 9 K HN 0.682 nan 8.250 nan 0.000 0.433 10 M N 0.610 120.195 119.600 -0.024 0.000 2.705 10 M HA 0.694 5.173 4.480 -0.001 0.000 0.311 10 M C 0.454 176.744 176.300 -0.015 0.000 1.214 10 M CA -0.911 54.370 55.300 -0.033 0.000 0.920 10 M CB 2.369 34.927 32.600 -0.071 0.000 1.687 10 M HN 0.652 nan 8.290 nan 0.000 0.481 11 G N 0.919 109.713 108.800 -0.010 0.000 2.690 11 G HA2 0.726 4.686 3.960 -0.001 0.000 0.293 11 G HA3 0.726 4.686 3.960 -0.001 0.000 0.293 11 G C -2.518 172.384 174.900 0.004 0.000 1.399 11 G CA -0.465 44.636 45.100 0.002 0.000 0.890 11 G HN 0.502 nan 8.290 nan 0.000 0.485 12 L N 0.299 121.529 121.223 0.011 0.000 2.385 12 L HA 0.703 5.042 4.340 -0.001 0.000 0.273 12 L C -0.512 176.376 176.870 0.031 0.000 0.990 12 L CA -0.767 54.083 54.840 0.016 0.000 0.821 12 L CB 2.097 44.162 42.059 0.011 0.000 1.279 12 L HN 0.650 nan 8.230 nan 0.000 0.412 13 E N 5.408 125.637 120.200 0.048 0.000 2.235 13 E HA 0.447 4.797 4.350 -0.001 0.000 0.252 13 E C -1.478 175.198 176.600 0.125 0.000 0.886 13 E CA -0.371 56.081 56.400 0.087 0.000 0.767 13 E CB 1.073 30.839 29.700 0.111 0.000 1.205 13 E HN 0.596 nan 8.360 nan 0.000 0.421 14 I N 4.334 124.972 120.570 0.113 0.000 2.354 14 I HA 0.299 4.469 4.170 -0.001 0.000 0.292 14 I C -0.181 176.033 176.117 0.161 0.000 0.989 14 I CA -0.684 60.685 61.300 0.117 0.000 1.188 14 I CB 1.307 39.331 38.000 0.041 0.000 1.342 14 I HN 0.486 nan 8.210 nan 0.000 0.457 15 H N 5.065 124.129 119.070 -0.010 0.000 2.466 15 H HA 0.408 4.963 4.556 -0.001 0.000 0.338 15 H C -0.945 174.372 175.328 -0.018 0.000 1.091 15 H CA -0.760 55.282 56.048 -0.011 0.000 1.207 15 H CB 2.437 32.197 29.762 -0.004 0.000 1.466 15 H HN 0.380 nan 8.280 nan 0.000 0.493 16 Q N 2.567 122.401 119.800 0.057 0.000 2.323 16 Q HA 0.202 4.542 4.340 -0.001 0.000 0.271 16 Q C -1.081 174.917 176.000 -0.004 0.000 1.048 16 Q CA -0.743 55.069 55.803 0.015 0.000 0.792 16 Q CB 1.687 30.415 28.738 -0.018 0.000 1.280 16 Q HN 0.589 nan 8.270 nan 0.000 0.441 17 Q N 3.196 122.993 119.800 -0.004 0.000 2.354 17 Q HA 0.244 4.583 4.340 -0.001 0.000 0.244 17 Q C 0.225 176.201 176.000 -0.040 0.000 0.969 17 Q CA -0.097 55.695 55.803 -0.019 0.000 0.885 17 Q CB 1.195 29.925 28.738 -0.014 0.000 1.241 17 Q HN 0.754 nan 8.270 nan 0.000 0.461 18 L N 0.348 121.537 121.223 -0.055 0.000 2.357 18 L HA 0.035 4.375 4.340 -0.001 0.000 0.211 18 L C 0.050 176.882 176.870 -0.063 0.000 1.075 18 L CA 0.242 55.041 54.840 -0.068 0.000 0.830 18 L CB 0.248 42.251 42.059 -0.094 0.000 0.996 18 L HN 0.827 nan 8.230 nan 0.000 0.467 19 D N 1.268 121.634 120.400 -0.058 0.000 2.897 19 D HA -0.134 4.506 4.640 -0.001 0.000 0.250 19 D C -0.031 176.233 176.300 -0.060 0.000 1.086 19 D CA 0.771 54.740 54.000 -0.053 0.000 0.799 19 D CB -0.619 40.154 40.800 -0.047 0.000 1.043 19 D HN 0.420 nan 8.370 nan 0.000 0.427 20 T N -1.931 112.583 114.554 -0.067 0.000 2.940 20 T HA 0.589 4.938 4.350 -0.001 0.000 0.288 20 T C 1.410 176.074 174.700 -0.060 0.000 1.033 20 T CA -0.470 61.587 62.100 -0.072 0.000 1.033 20 T CB 1.710 70.521 68.868 -0.095 0.000 1.079 20 T HN 0.124 nan 8.240 nan 0.000 0.496 21 E N 0.793 120.961 120.200 -0.053 0.000 2.031 21 E HA -0.031 4.318 4.350 -0.001 0.000 0.193 21 E C 1.071 177.645 176.600 -0.044 0.000 0.994 21 E CA 1.034 57.408 56.400 -0.042 0.000 0.800 21 E CB -0.018 29.662 29.700 -0.034 0.000 0.752 21 E HN 0.608 nan 8.360 nan 0.000 0.447 22 S N -0.145 115.525 115.700 -0.051 0.000 2.638 22 S HA 0.270 4.739 4.470 -0.001 0.000 0.298 22 S C -0.117 174.437 174.600 -0.076 0.000 1.111 22 S CA -0.917 57.250 58.200 -0.054 0.000 1.027 22 S CB 1.324 64.498 63.200 -0.044 0.000 1.064 22 S HN -0.060 nan 8.310 nan 0.000 0.525 23 K N 0.809 121.163 120.400 -0.077 0.000 2.284 23 K HA 0.156 4.475 4.320 -0.001 0.000 0.243 23 K C 1.084 177.599 176.600 -0.141 0.000 1.075 23 K CA -0.376 55.855 56.287 -0.094 0.000 0.868 23 K CB -0.016 32.440 32.500 -0.072 0.000 1.157 23 K HN 0.497 nan 8.250 nan 0.000 0.512 24 L N 0.309 121.418 121.223 -0.190 0.000 1.993 24 L HA -0.024 4.315 4.340 -0.001 0.000 0.206 24 L C 0.951 177.557 176.870 -0.441 0.000 1.074 24 L CA 1.805 56.412 54.840 -0.388 0.000 0.746 24 L CB -0.117 41.628 42.059 -0.524 0.000 0.896 24 L HN 0.521 nan 8.230 nan 0.000 0.435 25 F N -0.496 119.434 119.950 -0.032 0.000 2.923 25 F HA 0.312 4.838 4.527 -0.001 0.000 0.314 25 F C 0.227 175.968 175.800 -0.097 0.000 1.196 25 F CA -0.519 57.473 58.000 -0.013 0.000 1.320 25 F CB 0.645 39.659 39.000 0.024 0.000 0.953 25 F HN 0.169 nan 8.300 nan 0.000 0.505 26 C N 0.068 119.341 119.300 -0.045 0.000 3.292 26 C HA 0.412 4.872 4.460 -0.001 0.000 0.338 26 C C -2.194 172.695 174.990 -0.168 0.000 1.323 26 C CA -1.310 57.548 59.018 -0.266 0.000 1.232 26 C CB 1.512 29.132 27.740 -0.200 0.000 1.517 26 C HN 0.121 nan 8.230 nan 0.000 0.470 27 P HA 0.185 nan 4.420 nan 0.000 0.261 27 P C 0.392 177.663 177.300 -0.048 0.000 1.268 27 P CA 0.221 63.283 63.100 -0.064 0.000 0.833 27 P CB -0.285 31.410 31.700 -0.009 0.000 1.231 28 C N 2.487 121.751 119.300 -0.059 0.000 2.679 28 C HA 0.195 4.654 4.460 -0.001 0.000 0.417 28 C C 1.494 176.463 174.990 -0.036 0.000 1.302 28 C CA -0.698 58.299 59.018 -0.035 0.000 1.973 28 C CB -0.572 27.151 27.740 -0.029 0.000 2.715 28 C HN 0.251 nan 8.230 nan 0.000 0.628 29 R N 1.670 122.153 120.500 -0.029 0.000 2.811 29 R HA 0.108 4.447 4.340 -0.001 0.000 0.265 29 R C 1.077 177.354 176.300 -0.038 0.000 1.026 29 R CA 0.443 56.523 56.100 -0.033 0.000 1.142 29 R CB -0.027 30.254 30.300 -0.031 0.000 1.027 29 R HN 0.915 nan 8.270 nan 0.000 0.465 30 T N -1.905 112.625 114.554 -0.040 0.000 3.287 30 T HA 0.100 4.449 4.350 -0.001 0.000 0.253 30 T C 0.272 174.951 174.700 -0.035 0.000 0.975 30 T CA -0.483 61.593 62.100 -0.040 0.000 0.912 30 T CB -0.351 68.490 68.868 -0.046 0.000 1.071 30 T HN 0.586 nan 8.240 nan 0.000 0.578 31 E N 0.975 121.153 120.200 -0.038 0.000 2.227 31 E HA 0.567 4.917 4.350 -0.001 0.000 0.268 31 E C -0.682 175.889 176.600 -0.048 0.000 0.907 31 E CA -1.133 55.244 56.400 -0.039 0.000 0.786 31 E CB 1.781 31.457 29.700 -0.039 0.000 1.191 31 E HN 0.175 nan 8.360 nan 0.000 0.411 32 L N 0.805 122.003 121.223 -0.041 0.000 2.468 32 L HA 0.418 4.758 4.340 -0.001 0.000 0.254 32 L C 0.510 177.325 176.870 -0.091 0.000 1.171 32 L CA -0.319 54.493 54.840 -0.047 0.000 0.809 32 L CB 1.370 43.419 42.059 -0.017 0.000 1.155 32 L HN 0.643 nan 8.230 nan 0.000 0.473 33 T N -1.531 112.944 114.554 -0.131 0.000 2.916 33 T HA 0.231 4.581 4.350 -0.001 0.000 0.305 33 T C -0.258 174.371 174.700 -0.119 0.000 1.119 33 T CA -0.511 61.472 62.100 -0.196 0.000 1.008 33 T CB 1.481 70.083 68.868 -0.443 0.000 1.129 33 T HN 0.552 nan 8.240 nan 0.000 0.480 34 D N 1.201 121.556 120.400 -0.074 0.000 2.366 34 D HA 0.233 4.873 4.640 -0.001 0.000 0.205 34 D C 0.845 177.159 176.300 0.024 0.000 1.022 34 D CA 0.366 54.362 54.000 -0.007 0.000 0.868 34 D CB 0.283 41.079 40.800 -0.007 0.000 0.953 34 D HN 0.462 nan 8.370 nan 0.000 0.514 35 S N 0.875 116.563 115.700 -0.020 0.000 2.537 35 S HA -0.116 4.354 4.470 -0.001 0.000 0.280 35 S C 0.517 175.242 174.600 0.208 0.000 1.335 35 S CA 0.137 58.364 58.200 0.046 0.000 1.025 35 S CB 0.637 63.828 63.200 -0.015 0.000 0.836 35 S HN 0.164 nan 8.310 nan 0.000 0.523 36 E N 1.928 122.232 120.200 0.173 0.000 2.324 36 E HA 0.126 4.475 4.350 -0.001 0.000 0.271 36 E C -2.354 174.367 176.600 0.202 0.000 1.028 36 E CA -1.941 54.553 56.400 0.157 0.000 0.890 36 E CB 0.347 30.089 29.700 0.071 0.000 1.004 36 E HN 0.190 nan 8.360 nan 0.000 0.431 37 P HA -0.070 nan 4.420 nan 0.000 0.264 37 P C -0.411 176.739 177.300 -0.250 0.000 1.183 37 P CA 0.173 63.023 63.100 -0.416 0.000 0.763 37 P CB 0.546 32.021 31.700 -0.375 0.000 0.807 38 D N 0.222 120.417 120.400 -0.341 0.000 2.249 38 D HA -0.043 4.596 4.640 -0.001 0.000 0.205 38 D C 0.360 176.512 176.300 -0.247 0.000 0.962 38 D CA 1.378 55.163 54.000 -0.358 0.000 0.860 38 D CB -0.007 40.273 40.800 -0.866 0.000 0.955 38 D HN 0.554 nan 8.370 nan 0.000 0.505 39 H N -0.406 118.486 119.070 -0.297 0.000 3.026 39 H HA 0.138 4.693 4.556 -0.001 0.000 0.352 39 H C -1.654 173.612 175.328 -0.105 0.000 1.090 39 H CA -0.697 55.265 56.048 -0.144 0.000 1.268 39 H CB 1.833 31.546 29.762 -0.081 0.000 1.816 39 H HN -0.291 nan 8.280 nan 0.000 0.518 40 D N 5.507 126.052 120.400 0.241 0.000 2.329 40 D HA 0.241 4.880 4.640 -0.001 0.000 0.232 40 D C -0.403 176.094 176.300 0.327 0.000 1.088 40 D CA -0.261 53.864 54.000 0.210 0.000 0.835 40 D CB 0.954 41.827 40.800 0.121 0.000 1.078 40 D HN 0.448 nan 8.370 nan 0.000 0.495 41 I N 3.371 124.065 120.570 0.206 0.000 2.354 41 I HA 0.203 4.373 4.170 -0.001 0.000 0.292 41 I C 0.054 176.168 176.117 -0.006 0.000 0.989 41 I CA -1.009 60.363 61.300 0.121 0.000 1.188 41 I CB 2.084 40.119 38.000 0.057 0.000 1.342 41 I HN 0.015 nan 8.210 nan 0.000 0.457 42 V N 7.500 127.351 119.914 -0.104 0.000 2.407 42 V HA 0.493 4.613 4.120 -0.001 0.000 0.278 42 V C 0.256 176.200 176.094 -0.250 0.000 1.037 42 V CA -0.376 61.704 62.300 -0.366 0.000 0.900 42 V CB 1.102 32.737 31.823 -0.313 0.000 0.983 42 V HN 0.752 nan 8.190 nan 0.000 0.459 43 R N 3.497 123.787 120.500 -0.351 0.000 2.885 43 R HA 0.603 4.943 4.340 -0.001 0.000 0.260 43 R C -1.241 174.972 176.300 -0.145 0.000 1.107 43 R CA -1.048 54.974 56.100 -0.131 0.000 0.978 43 R CB 1.936 32.293 30.300 0.096 0.000 1.227 43 R HN 0.601 nan 8.270 nan 0.000 0.473 44 N N 1.058 119.769 118.700 0.017 0.000 2.478 44 N HA 0.242 4.981 4.740 -0.001 0.000 0.291 44 N C -1.149 174.426 175.510 0.107 0.000 1.090 44 N CA -0.498 52.592 53.050 0.066 0.000 0.911 44 N CB 1.838 40.356 38.487 0.053 0.000 1.546 44 N HN 0.199 nan 8.380 nan 0.000 0.500 45 L N 1.528 122.858 121.223 0.178 0.000 2.468 45 L HA 0.474 4.813 4.340 -0.001 0.000 0.254 45 L C 0.732 177.646 176.870 0.073 0.000 1.171 45 L CA -0.027 54.891 54.840 0.130 0.000 0.809 45 L CB 0.343 42.505 42.059 0.172 0.000 1.155 45 L HN 0.334 nan 8.230 nan 0.000 0.473 46 R N 0.863 121.400 120.500 0.060 0.000 2.575 46 R HA 0.416 4.756 4.340 -0.001 0.000 0.293 46 R C -1.883 174.452 176.300 0.058 0.000 0.983 46 R CA -1.467 54.652 56.100 0.031 0.000 0.887 46 R CB 1.277 31.611 30.300 0.057 0.000 1.184 46 R HN 0.428 nan 8.270 nan 0.000 0.445 47 P HA 0.002 nan 4.420 nan 0.000 0.250 47 P C -0.124 177.280 177.300 0.173 0.000 1.363 47 P CA 0.442 63.610 63.100 0.112 0.000 0.832 47 P CB 0.383 32.173 31.700 0.151 0.000 1.074 58 A N 0.021 122.884 122.820 0.072 0.000 2.275 58 A HA 0.593 4.913 4.320 -0.001 0.000 0.212 58 A C 1.580 179.214 177.584 0.083 0.000 1.201 58 A CA 0.793 52.871 52.037 0.067 0.000 0.843 58 A CB 0.004 19.031 19.000 0.045 0.000 0.873 58 A HN 0.331 nan 8.150 nan 0.000 0.492 59 A N -1.663 121.224 122.820 0.112 0.000 2.140 59 A HA 0.331 4.651 4.320 -0.001 0.000 0.209 59 A C 0.940 178.605 177.584 0.134 0.000 1.181 59 A CA -0.082 52.017 52.037 0.103 0.000 0.824 59 A CB -0.405 18.652 19.000 0.095 0.000 0.879 59 A HN 0.363 nan 8.150 nan 0.000 0.480 60 F N 1.087 121.045 119.950 0.015 0.000 2.707 60 F HA 0.109 4.636 4.527 -0.001 0.000 0.301 60 F C 1.422 177.229 175.800 0.013 0.000 1.314 60 F CA 1.130 59.140 58.000 0.016 0.000 1.443 60 F CB -0.166 38.843 39.000 0.016 0.000 1.124 60 F HN 0.486 nan 8.300 nan 0.000 0.521 61 E N -1.606 118.630 120.200 0.060 0.000 2.641 61 E HA -0.041 4.309 4.350 -0.001 0.000 0.201 61 E C 1.674 178.266 176.600 -0.013 0.000 0.921 61 E CA 0.111 56.525 56.400 0.024 0.000 1.551 61 E CB 0.180 29.912 29.700 0.054 0.000 1.640 61 E HN 0.206 nan 8.360 nan 0.000 0.906 62 E N 0.154 120.349 120.200 -0.008 0.000 2.330 62 E HA 0.187 4.536 4.350 -0.001 0.000 0.200 62 E C 1.603 178.180 176.600 -0.039 0.000 0.922 62 E CA 0.861 57.250 56.400 -0.019 0.000 0.935 62 E CB 0.516 30.218 29.700 0.003 0.000 0.917 62 E HN 0.227 nan 8.360 nan 0.000 0.491 63 A N 2.451 125.243 122.820 -0.047 0.000 1.855 63 A HA -0.155 4.164 4.320 -0.001 0.000 0.215 63 A C 2.364 179.880 177.584 -0.114 0.000 1.191 63 A CA 1.945 53.943 52.037 -0.065 0.000 0.613 63 A CB -0.795 18.168 19.000 -0.063 0.000 0.829 63 A HN 0.418 nan 8.150 nan 0.000 0.442 64 M N -0.449 119.036 119.600 -0.191 0.000 2.088 64 M HA -0.263 4.217 4.480 -0.001 0.000 0.256 64 M C 2.244 178.475 176.300 -0.115 0.000 1.071 64 M CA 2.628 57.812 55.300 -0.193 0.000 1.097 64 M CB -0.531 31.927 32.600 -0.236 0.000 1.315 64 M HN 0.431 nan 8.290 nan 0.000 0.406 65 R N 0.611 121.051 120.500 -0.100 0.000 2.170 65 R HA -0.152 4.187 4.340 -0.001 0.000 0.242 65 R C 1.281 177.517 176.300 -0.106 0.000 1.145 65 R CA 1.794 57.837 56.100 -0.094 0.000 0.984 65 R CB -0.151 30.100 30.300 -0.081 0.000 0.869 65 R HN 0.519 nan 8.270 nan 0.000 0.455 66 K N 0.007 120.345 120.400 -0.103 0.000 2.437 66 K HA 0.106 4.425 4.320 -0.001 0.000 0.198 66 K C 0.608 177.089 176.600 -0.198 0.000 1.024 66 K CA 0.083 56.297 56.287 -0.122 0.000 1.148 66 K CB 0.488 32.953 32.500 -0.059 0.000 0.860 66 K HN 0.205 nan 8.250 nan 0.000 0.515 67 L N 0.198 121.301 121.223 -0.200 0.000 3.014 67 L HA 0.141 4.480 4.340 -0.001 0.000 0.263 67 L C 0.129 176.785 176.870 -0.356 0.000 1.207 67 L CA -0.335 54.385 54.840 -0.201 0.000 1.017 67 L CB 0.271 42.356 42.059 0.042 0.000 1.360 67 L HN 0.247 nan 8.230 nan 0.000 0.560 68 H N 0.631 119.371 119.070 -0.550 0.000 2.668 68 H HA 0.335 4.891 4.556 -0.001 0.000 0.303 68 H C -1.397 173.560 175.328 -0.618 0.000 1.074 68 H CA -0.070 55.744 56.048 -0.391 0.000 1.406 68 H CB 0.643 30.270 29.762 -0.225 0.000 1.442 68 H HN -0.054 nan 8.280 nan 0.000 0.482 69 F N 2.519 122.196 119.950 -0.454 0.000 2.577 69 F HA 0.247 4.774 4.527 -0.001 0.000 0.318 69 F C -0.275 175.111 175.800 -0.692 0.000 1.065 69 F CA -0.899 56.843 58.000 -0.430 0.000 0.929 69 F CB 1.548 40.210 39.000 -0.563 0.000 1.237 69 F HN 0.582 nan 8.300 nan 0.000 0.468 70 H N 0.725 119.630 119.070 -0.276 0.000 2.481 70 H HA 0.422 4.977 4.556 -0.001 0.000 0.333 70 H C -1.511 173.676 175.328 -0.234 0.000 1.066 70 H CA -0.883 55.028 56.048 -0.228 0.000 1.209 70 H CB 0.989 30.709 29.762 -0.069 0.000 1.445 70 H HN 0.475 nan 8.280 nan 0.000 0.488 71 Y N 1.176 121.553 120.300 0.127 0.000 2.335 71 Y HA 0.248 4.798 4.550 -0.001 0.000 0.338 71 Y C 0.328 176.247 175.900 0.033 0.000 0.977 71 Y CA -0.869 57.279 58.100 0.079 0.000 1.114 71 Y CB 1.381 39.834 38.460 -0.011 0.000 1.182 71 Y HN 0.523 nan 8.280 nan 0.000 0.463 72 E N 3.787 124.087 120.200 0.166 0.000 2.229 72 E HA 0.228 4.577 4.350 -0.001 0.000 0.283 72 E C -0.828 175.671 176.600 -0.169 0.000 1.030 72 E CA -0.405 55.975 56.400 -0.033 0.000 0.836 72 E CB 0.851 30.509 29.700 -0.069 0.000 1.068 72 E HN 0.653 nan 8.360 nan 0.000 0.401 73 N N 2.061 120.588 118.700 -0.289 0.000 2.328 73 N HA 0.371 5.110 4.740 -0.001 0.000 0.299 73 N C -1.292 173.876 175.510 -0.570 0.000 1.179 73 N CA -0.600 52.269 53.050 -0.301 0.000 0.793 73 N CB 1.487 39.897 38.487 -0.129 0.000 1.366 73 N HN 0.323 nan 8.380 nan 0.000 0.493 74 Y N 0.075 120.358 120.300 -0.029 0.000 2.391 74 Y HA 0.252 4.802 4.550 -0.001 0.000 0.341 74 Y C 1.130 177.036 175.900 0.009 0.000 0.965 74 Y CA -0.807 57.260 58.100 -0.055 0.000 1.067 74 Y CB 1.162 39.613 38.460 -0.014 0.000 1.199 74 Y HN 0.568 nan 8.280 nan 0.000 0.450 75 H N 1.016 120.189 119.070 0.172 0.000 2.489 75 H HA -0.130 4.426 4.556 -0.001 0.000 0.295 75 H C 1.458 176.844 175.328 0.095 0.000 1.082 75 H CA 1.903 58.016 56.048 0.108 0.000 1.295 75 H CB 0.287 30.104 29.762 0.092 0.000 1.380 75 H HN 0.756 nan 8.280 nan 0.000 0.548 76 E N 0.762 121.100 120.200 0.231 0.000 2.280 76 E HA -0.018 4.332 4.350 -0.001 0.000 0.197 76 E C 1.466 178.123 176.600 0.095 0.000 0.913 76 E CA 0.343 56.823 56.400 0.134 0.000 0.995 76 E CB 0.103 29.862 29.700 0.098 0.000 0.991 76 E HN 0.099 nan 8.360 nan 0.000 0.484 77 E N 0.105 120.357 120.200 0.088 0.000 2.515 77 E HA 0.120 4.469 4.350 -0.001 0.000 0.201 77 E C -0.517 176.140 176.600 0.094 0.000 1.071 77 E CA 0.539 56.956 56.400 0.028 0.000 0.880 77 E CB 0.360 29.970 29.700 -0.149 0.000 0.828 77 E HN 0.029 nan 8.360 nan 0.000 0.540 78 T N -1.051 113.585 114.554 0.136 0.000 2.883 78 T HA 0.533 4.883 4.350 -0.001 0.000 0.301 78 T C -0.829 173.910 174.700 0.064 0.000 1.158 78 T CA -0.772 61.390 62.100 0.102 0.000 1.007 78 T CB 1.109 70.062 68.868 0.142 0.000 1.186 78 T HN 0.273 nan 8.240 nan 0.000 0.499 79 C N 0.506 119.818 119.300 0.020 0.000 3.307 79 C HA 0.674 5.133 4.460 -0.001 0.000 0.350 79 C C 1.719 176.704 174.990 -0.009 0.000 1.549 79 C CA -1.004 58.022 59.018 0.013 0.000 1.396 79 C CB -0.601 27.133 27.740 -0.009 0.000 1.970 79 C HN 0.912 nan 8.230 nan 0.000 0.441 80 L N 1.044 122.267 121.223 0.001 0.000 2.362 80 L HA -0.066 4.274 4.340 -0.001 0.000 0.219 80 L C 2.454 179.305 176.870 -0.032 0.000 1.134 80 L CA 0.841 55.673 54.840 -0.014 0.000 0.807 80 L CB -0.551 41.515 42.059 0.011 0.000 0.927 80 L HN 0.751 nan 8.230 nan 0.000 0.447 81 V N -0.180 119.713 119.914 -0.034 0.000 2.307 81 V HA -0.256 3.864 4.120 -0.001 0.000 0.245 81 V C 2.310 178.351 176.094 -0.088 0.000 1.045 81 V CA 1.775 64.046 62.300 -0.048 0.000 1.024 81 V CB -0.409 31.363 31.823 -0.084 0.000 0.651 81 V HN 0.383 nan 8.190 nan 0.000 0.449 82 E N 0.631 120.773 120.200 -0.096 0.000 2.153 82 E HA -0.121 4.228 4.350 -0.001 0.000 0.194 82 E C 2.023 178.495 176.600 -0.213 0.000 0.988 82 E CA 1.335 57.653 56.400 -0.136 0.000 0.811 82 E CB -0.424 29.221 29.700 -0.092 0.000 0.746 82 E HN 0.599 nan 8.360 nan 0.000 0.466 83 A N 0.462 123.178 122.820 -0.172 0.000 2.251 83 A HA 0.036 4.355 4.320 -0.001 0.000 0.209 83 A C 0.407 177.871 177.584 -0.200 0.000 1.187 83 A CA 0.695 52.609 52.037 -0.205 0.000 0.823 83 A CB -0.044 18.873 19.000 -0.139 0.000 0.846 83 A HN 0.216 nan 8.150 nan 0.000 0.486 84 D N -1.272 119.025 120.400 -0.172 0.000 2.835 84 D HA -0.122 4.518 4.640 -0.001 0.000 0.230 84 D C 0.406 176.659 176.300 -0.078 0.000 1.130 84 D CA 1.158 55.075 54.000 -0.137 0.000 0.738 84 D CB -0.883 39.802 40.800 -0.192 0.000 1.090 84 D HN 0.472 nan 8.370 nan 0.000 0.433 85 E N -0.091 120.074 120.200 -0.058 0.000 2.562 85 E HA 0.185 4.535 4.350 -0.001 0.000 0.214 85 E C 0.223 176.820 176.600 -0.006 0.000 0.979 85 E CA 0.078 56.459 56.400 -0.033 0.000 1.002 85 E CB 0.741 30.416 29.700 -0.041 0.000 1.048 85 E HN 0.671 nan 8.360 nan 0.000 0.488 86 E N 1.154 121.358 120.200 0.006 0.000 2.311 86 E HA 0.287 4.637 4.350 -0.001 0.000 0.281 86 E C -2.858 173.777 176.600 0.057 0.000 0.905 86 E CA -2.099 54.326 56.400 0.040 0.000 0.778 86 E CB 1.858 31.601 29.700 0.071 0.000 1.240 86 E HN -0.252 nan 8.360 nan 0.000 0.410 87 P HA 0.087 nan 4.420 nan 0.000 0.266 87 P C -2.545 174.826 177.300 0.118 0.000 1.193 87 P CA -0.691 62.443 63.100 0.057 0.000 0.770 87 P CB -0.159 31.559 31.700 0.028 0.000 0.836 88 P HA 0.041 nan 4.420 nan 0.000 0.268 88 P C -0.223 177.216 177.300 0.233 0.000 1.205 88 P CA 0.445 63.613 63.100 0.114 0.000 0.771 88 P CB 0.273 31.933 31.700 -0.067 0.000 0.858 89 H N 2.190 121.323 119.070 0.104 0.000 2.597 89 H HA 0.211 4.766 4.556 -0.001 0.000 0.370 89 H C -1.865 173.588 175.328 0.209 0.000 1.281 89 H CA -1.987 54.132 56.048 0.118 0.000 1.422 89 H CB -0.254 29.574 29.762 0.109 0.000 1.524 89 H HN 0.309 nan 8.280 nan 0.000 0.607 90 P HA -0.101 nan 4.420 nan 0.000 0.268 90 P C -0.431 177.117 177.300 0.414 0.000 1.208 90 P CA -0.299 62.988 63.100 0.311 0.000 0.777 90 P CB 0.445 32.271 31.700 0.211 0.000 0.875 91 L N 2.692 124.200 121.223 0.476 0.000 2.640 91 L HA -0.060 4.280 4.340 -0.001 0.000 0.280 91 L C 0.530 177.378 176.870 -0.037 0.000 1.229 91 L CA 0.493 55.474 54.840 0.235 0.000 0.919 91 L CB -0.688 41.502 42.059 0.218 0.000 1.168 91 L HN 0.322 nan 8.230 nan 0.000 0.496 92 N N 6.766 125.323 118.700 -0.238 0.000 2.416 92 N HA 0.095 4.834 4.740 -0.001 0.000 0.265 92 N C -1.921 173.439 175.510 -0.251 0.000 1.195 92 N CA -1.529 51.405 53.050 -0.194 0.000 0.943 92 N CB 1.123 39.470 38.487 -0.234 0.000 1.115 92 N HN 0.436 nan 8.380 nan 0.000 0.481 93 P HA -0.175 nan 4.420 nan 0.000 0.215 93 P C 1.047 178.231 177.300 -0.193 0.000 1.157 93 P CA 1.239 64.227 63.100 -0.186 0.000 0.874 93 P CB 0.273 31.967 31.700 -0.009 0.000 0.790 94 E N -0.578 119.540 120.200 -0.136 0.000 2.097 94 E HA -0.252 4.097 4.350 -0.001 0.000 0.196 94 E C 1.860 178.360 176.600 -0.167 0.000 1.000 94 E CA 1.340 57.665 56.400 -0.125 0.000 0.804 94 E CB -0.464 29.178 29.700 -0.096 0.000 0.740 94 E HN 0.086 nan 8.360 nan 0.000 0.454 95 A N 1.148 123.839 122.820 -0.215 0.000 1.835 95 A HA -0.191 4.129 4.320 -0.001 0.000 0.215 95 A C 2.174 179.583 177.584 -0.293 0.000 1.199 95 A CA 1.442 53.331 52.037 -0.247 0.000 0.615 95 A CB -0.961 17.859 19.000 -0.299 0.000 0.838 95 A HN 0.379 nan 8.150 nan 0.000 0.444 96 L N 0.273 121.253 121.223 -0.406 0.000 2.137 96 L HA -0.246 4.094 4.340 -0.001 0.000 0.213 96 L C 2.299 178.984 176.870 -0.310 0.000 1.085 96 L CA 2.825 57.378 54.840 -0.478 0.000 0.760 96 L CB -0.518 41.103 42.059 -0.730 0.000 0.893 96 L HN 0.675 nan 8.230 nan 0.000 0.434 97 E N -0.414 119.647 120.200 -0.231 0.000 2.047 97 E HA -0.224 4.125 4.350 -0.001 0.000 0.191 97 E C 2.195 178.720 176.600 -0.124 0.000 0.987 97 E CA 1.754 58.068 56.400 -0.143 0.000 0.799 97 E CB -0.244 29.395 29.700 -0.102 0.000 0.752 97 E HN 0.652 nan 8.360 nan 0.000 0.449 98 I N 1.177 121.669 120.570 -0.131 0.000 2.179 98 I HA -0.245 3.925 4.170 -0.001 0.000 0.242 98 I C 2.693 178.740 176.117 -0.118 0.000 1.088 98 I CA 0.980 62.214 61.300 -0.110 0.000 1.357 98 I CB -0.518 37.416 38.000 -0.110 0.000 1.051 98 I HN 0.197 nan 8.210 nan 0.000 0.409 99 A N 0.809 123.537 122.820 -0.154 0.000 1.892 99 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 99 A C 2.472 179.983 177.584 -0.121 0.000 1.188 99 A CA 2.277 54.223 52.037 -0.151 0.000 0.631 99 A CB -1.131 17.739 19.000 -0.216 0.000 0.822 99 A HN 0.252 nan 8.150 nan 0.000 0.447 100 V N -0.301 119.537 119.914 -0.126 0.000 2.261 100 V HA -0.258 3.861 4.120 -0.001 0.000 0.246 100 V C 2.751 178.809 176.094 -0.061 0.000 1.047 100 V CA 2.547 64.797 62.300 -0.084 0.000 1.015 100 V CB -1.490 30.288 31.823 -0.076 0.000 0.642 100 V HN 0.643 nan 8.190 nan 0.000 0.446 101 T N 0.620 115.135 114.554 -0.064 0.000 2.597 101 T HA -0.259 4.091 4.350 -0.001 0.000 0.267 101 T C 1.804 176.472 174.700 -0.053 0.000 1.053 101 T CA 2.283 64.352 62.100 -0.052 0.000 1.165 101 T CB -0.431 68.405 68.868 -0.054 0.000 0.863 101 T HN 0.328 nan 8.240 nan 0.000 0.427 102 I N 1.434 121.966 120.570 -0.063 0.000 2.113 102 I HA -0.298 3.872 4.170 -0.001 0.000 0.242 102 I C 3.000 179.084 176.117 -0.055 0.000 1.064 102 I CA 1.533 62.795 61.300 -0.062 0.000 1.320 102 I CB -0.704 37.254 38.000 -0.070 0.000 1.028 102 I HN 0.252 nan 8.210 nan 0.000 0.406 103 A N 0.950 123.739 122.820 -0.051 0.000 1.892 103 A HA -0.214 4.105 4.320 -0.001 0.000 0.218 103 A C 2.311 179.877 177.584 -0.031 0.000 1.188 103 A CA 1.698 53.712 52.037 -0.037 0.000 0.631 103 A CB -1.010 17.973 19.000 -0.028 0.000 0.822 103 A HN 0.424 nan 8.150 nan 0.000 0.447 104 L N -0.731 120.474 121.223 -0.029 0.000 2.083 104 L HA -0.169 4.170 4.340 -0.001 0.000 0.209 104 L C 2.396 179.246 176.870 -0.033 0.000 1.083 104 L CA 0.974 55.801 54.840 -0.021 0.000 0.752 104 L CB -0.500 41.549 42.059 -0.017 0.000 0.899 104 L HN 0.380 nan 8.230 nan 0.000 0.433 105 L N -0.544 120.652 121.223 -0.044 0.000 2.450 105 L HA -0.182 4.158 4.340 -0.001 0.000 0.224 105 L C 1.704 178.529 176.870 -0.074 0.000 1.149 105 L CA 0.767 55.575 54.840 -0.054 0.000 0.816 105 L CB -0.119 41.907 42.059 -0.056 0.000 0.932 105 L HN 0.313 nan 8.230 nan 0.000 0.449 106 L N -1.093 120.086 121.223 -0.073 0.000 2.728 106 L HA 0.159 4.498 4.340 -0.001 0.000 0.238 106 L C 0.205 177.003 176.870 -0.121 0.000 1.143 106 L CA 0.085 54.865 54.840 -0.100 0.000 0.937 106 L CB -0.114 41.904 42.059 -0.069 0.000 1.225 106 L HN 0.211 nan 8.230 nan 0.000 0.507 107 N N -0.855 117.797 118.700 -0.079 0.000 2.747 107 N HA -0.191 4.549 4.740 -0.001 0.000 0.249 107 N C -0.118 175.419 175.510 0.046 0.000 1.107 107 N CA 0.702 53.740 53.050 -0.020 0.000 0.707 107 N CB -1.107 37.327 38.487 -0.089 0.000 1.054 107 N HN 0.306 nan 8.380 nan 0.000 0.555 108 M N -0.256 119.356 119.600 0.019 0.000 2.267 108 M HA 0.323 4.803 4.480 -0.001 0.000 0.303 108 M C 0.960 177.281 176.300 0.035 0.000 1.164 108 M CA -0.383 54.937 55.300 0.033 0.000 1.060 108 M CB 0.811 33.419 32.600 0.013 0.000 1.455 108 M HN -0.026 nan 8.290 nan 0.000 0.483 109 R N 1.846 122.367 120.500 0.037 0.000 2.278 109 R HA 0.367 4.707 4.340 -0.001 0.000 0.322 109 R C -1.605 174.717 176.300 0.035 0.000 1.058 109 R CA -0.426 55.695 56.100 0.035 0.000 0.991 109 R CB 0.085 30.405 30.300 0.034 0.000 1.140 109 R HN 0.557 nan 8.270 nan 0.000 0.518 110 V N 4.649 124.584 119.914 0.034 0.000 2.788 110 V HA -0.046 4.073 4.120 -0.001 0.000 0.307 110 V C 1.123 177.253 176.094 0.060 0.000 1.069 110 V CA -0.007 62.319 62.300 0.043 0.000 1.173 110 V CB 0.865 32.709 31.823 0.035 0.000 0.925 110 V HN 0.348 nan 8.190 nan 0.000 0.492 111 V N 3.975 123.941 119.914 0.086 0.000 3.096 111 V HA 0.023 4.143 4.120 -0.001 0.000 0.306 111 V C 1.273 177.433 176.094 0.110 0.000 1.088 111 V CA 0.129 62.488 62.300 0.099 0.000 1.129 111 V CB 0.745 32.652 31.823 0.140 0.000 1.014 111 V HN 0.960 nan 8.190 nan 0.000 0.486 112 D N 1.071 121.527 120.400 0.092 0.000 2.213 112 D HA 0.039 4.679 4.640 -0.001 0.000 0.205 112 D C 0.652 177.034 176.300 0.137 0.000 0.961 112 D CA 1.058 55.114 54.000 0.092 0.000 0.853 112 D CB 0.582 41.417 40.800 0.059 0.000 0.967 112 D HN 0.634 nan 8.370 nan 0.000 0.496 113 E N -0.300 120.001 120.200 0.169 0.000 2.274 113 E HA 0.138 4.487 4.350 -0.001 0.000 0.269 113 E C -1.513 175.304 176.600 0.362 0.000 0.891 113 E CA -0.553 56.003 56.400 0.260 0.000 0.784 113 E CB 1.827 31.677 29.700 0.249 0.000 1.225 113 E HN -0.172 nan 8.360 nan 0.000 0.412 114 F N 3.833 123.957 119.950 0.290 0.000 2.424 114 F HA 0.298 4.825 4.527 -0.001 0.000 0.356 114 F C -0.725 175.266 175.800 0.319 0.000 1.110 114 F CA -0.142 58.014 58.000 0.261 0.000 1.161 114 F CB 0.387 39.498 39.000 0.185 0.000 1.115 114 F HN 0.455 nan 8.300 nan 0.000 0.507 115 H N 3.090 121.744 119.070 -0.693 0.000 2.587 115 H HA 0.320 4.876 4.556 -0.001 0.000 0.325 115 H C -0.162 174.734 175.328 -0.720 0.000 1.012 115 H CA -0.697 55.040 56.048 -0.519 0.000 1.213 115 H CB 1.193 30.794 29.762 -0.269 0.000 1.431 115 H HN 0.526 nan 8.280 nan 0.000 0.492 116 T N 5.148 119.446 114.554 -0.428 0.000 2.919 116 T HA 0.296 4.646 4.350 -0.001 0.000 0.302 116 T C 0.493 175.056 174.700 -0.229 0.000 1.031 116 T CA -0.307 61.635 62.100 -0.262 0.000 1.127 116 T CB 0.334 69.115 68.868 -0.144 0.000 0.952 116 T HN 0.358 nan 8.240 nan 0.000 0.540 117 M N 1.792 121.279 119.600 -0.187 0.000 2.775 117 M HA 0.506 4.986 4.480 -0.001 0.000 0.296 117 M C -0.300 175.831 176.300 -0.281 0.000 1.248 117 M CA -0.875 54.289 55.300 -0.227 0.000 0.800 117 M CB 1.958 34.470 32.600 -0.148 0.000 1.765 117 M HN 0.416 nan 8.290 nan 0.000 0.472 118 R N 0.994 121.255 120.500 -0.399 0.000 2.407 118 R HA 0.330 4.670 4.340 -0.001 0.000 0.298 118 R C -0.803 175.392 176.300 -0.175 0.000 1.166 118 R CA -0.524 55.304 56.100 -0.453 0.000 1.006 118 R CB 1.663 31.285 30.300 -1.130 0.000 1.145 118 R HN 0.467 nan 8.270 nan 0.000 0.538 119 K N 2.455 122.852 120.400 -0.004 0.000 2.349 119 K HA 0.015 4.335 4.320 -0.001 0.000 0.289 119 K C -0.114 176.557 176.600 0.118 0.000 1.064 119 K CA -0.192 56.129 56.287 0.056 0.000 0.947 119 K CB 0.783 33.323 32.500 0.067 0.000 1.007 119 K HN 0.403 nan 8.250 nan 0.000 0.478 120 Q N 3.230 123.110 119.800 0.133 0.000 2.262 120 Q HA 0.038 4.378 4.340 -0.001 0.000 0.298 120 Q C -1.243 174.830 176.000 0.122 0.000 1.083 120 Q CA 0.214 56.116 55.803 0.166 0.000 0.962 120 Q CB 0.450 29.280 28.738 0.153 0.000 1.104 120 Q HN 0.407 nan 8.270 nan 0.000 0.376 121 V N 7.516 127.499 119.914 0.114 0.000 2.637 121 V HA 0.104 4.223 4.120 -0.001 0.000 0.274 121 V C 0.184 176.285 176.094 0.011 0.000 1.004 121 V CA -0.455 61.877 62.300 0.053 0.000 0.894 121 V CB 1.167 33.005 31.823 0.026 0.000 1.046 121 V HN 0.837 nan 8.190 nan 0.000 0.467 122 I N -0.730 119.862 120.570 0.037 0.000 3.812 122 I HA 0.269 4.438 4.170 -0.001 0.000 0.319 122 I C 1.432 177.577 176.117 0.047 0.000 1.353 122 I CA 0.288 61.610 61.300 0.036 0.000 1.170 122 I CB -0.048 38.003 38.000 0.084 0.000 1.057 122 I HN 0.570 nan 8.210 nan 0.000 0.411 123 D N 2.187 122.584 120.400 -0.005 0.000 2.178 123 D HA -0.044 4.596 4.640 -0.001 0.000 0.202 123 D C 1.926 178.184 176.300 -0.071 0.000 0.974 123 D CA 2.039 56.060 54.000 0.035 0.000 0.841 123 D CB 0.123 40.935 40.800 0.021 0.000 0.953 123 D HN 0.540 nan 8.370 nan 0.000 0.478 124 G N -0.958 107.511 108.800 -0.550 0.000 2.238 124 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.217 124 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.217 124 G C 1.239 175.154 174.900 -1.641 0.000 0.996 124 G CA 0.802 45.003 45.100 -1.498 0.000 0.632 124 G HN 0.640 nan 8.290 nan 0.000 0.503 125 S N -0.215 114.841 115.700 -1.074 0.000 2.515 125 S HA 0.187 4.657 4.470 -0.001 0.000 0.231 125 S C 0.548 174.835 174.600 -0.522 0.000 0.987 125 S CA 0.870 58.574 58.200 -0.827 0.000 0.936 125 S CB -0.077 63.017 63.200 -0.178 0.000 0.766 125 S HN 0.671 nan 8.310 nan 0.000 0.528 126 N N 0.020 118.413 118.700 -0.511 0.000 2.342 126 N HA 0.339 5.079 4.740 -0.001 0.000 0.293 126 N C -0.012 175.172 175.510 -0.543 0.000 1.026 126 N CA -0.371 52.418 53.050 -0.435 0.000 0.857 126 N CB 1.687 39.969 38.487 -0.341 0.000 1.256 126 N HN -0.083 nan 8.380 nan 0.000 0.484 127 T N 0.593 114.777 114.554 -0.618 0.000 3.085 127 T HA 0.041 4.390 4.350 -0.001 0.000 0.263 127 T C 1.537 175.921 174.700 -0.527 0.000 1.127 127 T CA 0.993 62.643 62.100 -0.751 0.000 1.103 127 T CB -0.153 68.208 68.868 -0.845 0.000 0.921 127 T HN 0.712 nan 8.240 nan 0.000 0.510 128 G N -0.779 107.645 108.800 -0.627 0.000 2.921 128 G HA2 0.431 4.391 3.960 -0.001 0.000 0.213 128 G HA3 0.431 4.391 3.960 -0.001 0.000 0.213 128 G C 1.064 175.634 174.900 -0.550 0.000 1.143 128 G CA 0.383 45.066 45.100 -0.695 0.000 0.764 128 G HN 0.721 nan 8.290 nan 0.000 0.542 129 G N -0.746 107.785 108.800 -0.449 0.000 2.144 129 G HA2 -0.014 3.946 3.960 -0.001 0.000 0.218 129 G HA3 -0.014 3.946 3.960 -0.001 0.000 0.218 129 G C 0.086 174.989 174.900 0.006 0.000 0.988 129 G CA 0.240 45.249 45.100 -0.151 0.000 0.659 129 G HN 1.378 nan 8.290 nan 0.000 0.522 130 F N -1.914 117.998 119.950 -0.063 0.000 2.773 130 F HA 0.813 5.339 4.527 -0.001 0.000 0.314 130 F C -0.855 174.902 175.800 -0.071 0.000 1.160 130 F CA -1.425 56.544 58.000 -0.052 0.000 0.920 130 F CB 1.172 40.138 39.000 -0.057 0.000 1.323 130 F HN 0.245 nan 8.300 nan 0.000 0.457 131 Q N 1.933 121.909 119.800 0.293 0.000 2.337 131 Q HA 0.540 4.879 4.340 -0.001 0.000 0.266 131 Q C -1.306 174.842 176.000 0.246 0.000 1.023 131 Q CA -0.896 55.021 55.803 0.190 0.000 0.829 131 Q CB 1.905 30.704 28.738 0.103 0.000 1.306 131 Q HN 0.825 nan 8.270 nan 0.000 0.449 132 R N 2.586 123.232 120.500 0.242 0.000 2.216 132 R HA 0.354 4.693 4.340 -0.001 0.000 0.332 132 R C -0.789 175.644 176.300 0.221 0.000 1.056 132 R CA 0.051 56.267 56.100 0.193 0.000 0.901 132 R CB 1.128 31.557 30.300 0.216 0.000 1.039 132 R HN 0.649 nan 8.270 nan 0.000 0.456 133 T N 0.070 114.707 114.554 0.139 0.000 2.896 133 T HA 0.693 5.042 4.350 -0.001 0.000 0.297 133 T C -0.190 174.582 174.700 0.120 0.000 1.108 133 T CA -0.966 61.224 62.100 0.150 0.000 1.004 133 T CB 2.449 71.368 68.868 0.085 0.000 1.159 133 T HN 0.678 nan 8.240 nan 0.000 0.499 134 G N 0.695 109.621 108.800 0.210 0.000 2.706 134 G HA2 0.568 4.528 3.960 -0.001 0.000 0.297 134 G HA3 0.568 4.528 3.960 -0.001 0.000 0.297 134 G C -1.840 173.237 174.900 0.294 0.000 1.403 134 G CA -0.729 44.407 45.100 0.059 0.000 0.954 134 G HN 0.689 nan 8.290 nan 0.000 0.500 135 L N 2.665 123.962 121.223 0.123 0.000 2.319 135 L HA 0.537 4.876 4.340 -0.001 0.000 0.280 135 L C 1.149 178.213 176.870 0.323 0.000 1.099 135 L CA 0.095 55.035 54.840 0.166 0.000 0.828 135 L CB 1.476 43.568 42.059 0.055 0.000 1.150 135 L HN 0.620 nan 8.230 nan 0.000 0.442 136 V N 2.157 122.211 119.914 0.233 0.000 3.151 136 V HA 0.727 4.847 4.120 -0.001 0.000 0.241 136 V C 0.621 176.773 176.094 0.098 0.000 1.173 136 V CA 0.566 62.977 62.300 0.185 0.000 1.154 136 V CB -0.354 31.483 31.823 0.023 0.000 0.898 136 V HN 0.839 nan 8.190 nan 0.000 0.473 137 A N 0.466 123.323 122.820 0.061 0.000 2.532 137 A HA 0.939 5.259 4.320 -0.001 0.000 0.290 137 A C -0.151 177.454 177.584 0.035 0.000 1.143 137 A CA 0.222 52.283 52.037 0.040 0.000 0.728 137 A CB 1.700 20.710 19.000 0.017 0.000 1.317 137 A HN 0.908 nan 8.150 nan 0.000 0.414 138 T N -2.749 111.823 114.554 0.031 0.000 2.645 138 T HA 0.539 4.889 4.350 -0.001 0.000 0.300 138 T C -1.361 173.359 174.700 0.034 0.000 1.210 138 T CA -0.156 61.961 62.100 0.029 0.000 1.034 138 T CB 0.565 69.448 68.868 0.026 0.000 1.537 138 T HN 0.748 nan 8.240 nan 0.000 0.492 139 D N 0.718 121.138 120.400 0.034 0.000 3.025 139 D HA -0.055 4.585 4.640 -0.001 0.000 0.201 139 D C 0.536 176.879 176.300 0.071 0.000 1.267 139 D CA 1.587 55.613 54.000 0.043 0.000 0.736 139 D CB -1.201 39.618 40.800 0.032 0.000 0.883 139 D HN 0.971 nan 8.370 nan 0.000 0.388 140 G N 0.092 108.940 108.800 0.081 0.000 2.735 140 G HA2 0.711 4.671 3.960 -0.001 0.000 0.301 140 G HA3 0.711 4.671 3.960 -0.001 0.000 0.301 140 G C -0.478 174.531 174.900 0.182 0.000 1.279 140 G CA -0.676 44.494 45.100 0.117 0.000 1.019 140 G HN 0.509 nan 8.290 nan 0.000 0.497 141 H N -1.909 117.162 119.070 0.002 0.000 3.037 141 H HA 0.571 5.127 4.556 -0.001 0.000 0.336 141 H C -2.020 173.310 175.328 0.003 0.000 1.323 141 H CA -0.814 55.236 56.048 0.003 0.000 1.159 141 H CB 0.864 30.629 29.762 0.005 0.000 1.882 141 H HN 0.467 nan 8.280 nan 0.000 0.535 142 L N 0.431 121.613 121.223 -0.068 0.000 2.257 142 L HA 0.469 4.808 4.340 -0.001 0.000 0.257 142 L C -0.550 176.332 176.870 0.021 0.000 1.033 142 L CA -1.037 53.742 54.840 -0.103 0.000 0.835 142 L CB 2.208 44.237 42.059 -0.049 0.000 1.398 142 L HN 0.586 nan 8.230 nan 0.000 0.429 143 E N 0.607 120.813 120.200 0.010 0.000 2.165 143 E HA 0.473 4.823 4.350 -0.001 0.000 0.266 143 E C -1.171 175.453 176.600 0.040 0.000 0.889 143 E CA -0.306 56.124 56.400 0.049 0.000 0.756 143 E CB 1.623 31.352 29.700 0.047 0.000 1.131 143 E HN 0.544 nan 8.360 nan 0.000 0.411 144 T N 1.072 115.653 114.554 0.044 0.000 2.906 144 T HA 0.463 4.813 4.350 -0.001 0.000 0.295 144 T C -2.119 172.602 174.700 0.035 0.000 1.061 144 T CA -2.179 59.944 62.100 0.039 0.000 1.000 144 T CB 1.700 70.590 68.868 0.036 0.000 1.103 144 T HN 0.043 nan 8.240 nan 0.000 0.486 145 P HA -0.222 nan 4.420 nan 0.000 0.218 145 P C 1.655 178.973 177.300 0.029 0.000 1.154 145 P CA 1.361 64.477 63.100 0.027 0.000 0.872 145 P CB 0.029 31.742 31.700 0.022 0.000 0.790 146 Q N -0.987 118.831 119.800 0.030 0.000 2.437 146 Q HA 0.141 4.481 4.340 -0.001 0.000 0.210 146 Q C 1.190 177.210 176.000 0.033 0.000 0.972 146 Q CA 1.335 57.157 55.803 0.032 0.000 0.903 146 Q CB -0.524 28.231 28.738 0.029 0.000 0.967 146 Q HN 0.278 nan 8.270 nan 0.000 0.486 147 G N -0.137 108.683 108.800 0.035 0.000 2.359 147 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.303 147 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.303 147 G C -1.260 173.667 174.900 0.046 0.000 1.293 147 G CA -0.628 44.495 45.100 0.037 0.000 0.964 147 G HN -0.023 nan 8.290 nan 0.000 0.531 148 T N 0.570 115.155 114.554 0.052 0.000 2.780 148 T HA 0.521 4.871 4.350 -0.001 0.000 0.294 148 T C 0.341 175.084 174.700 0.072 0.000 0.949 148 T CA -0.190 61.958 62.100 0.079 0.000 1.074 148 T CB 1.323 70.242 68.868 0.085 0.000 0.910 148 T HN 0.822 nan 8.240 nan 0.000 0.501 149 V N 4.923 124.885 119.914 0.079 0.000 2.435 149 V HA 0.339 4.459 4.120 -0.001 0.000 0.290 149 V C 0.350 176.498 176.094 0.090 0.000 1.030 149 V CA -0.975 61.363 62.300 0.063 0.000 0.881 149 V CB 1.401 33.248 31.823 0.040 0.000 0.983 149 V HN 0.747 nan 8.190 nan 0.000 0.445 150 K N 3.887 124.333 120.400 0.077 0.000 2.218 150 K HA 0.528 4.848 4.320 -0.001 0.000 0.276 150 K C -1.025 175.611 176.600 0.060 0.000 1.022 150 K CA -0.518 55.823 56.287 0.090 0.000 0.946 150 K CB 1.120 33.656 32.500 0.060 0.000 1.000 150 K HN 0.387 nan 8.250 nan 0.000 0.468 151 I N 3.314 123.921 120.570 0.061 0.000 2.330 151 I HA 0.043 4.213 4.170 -0.001 0.000 0.286 151 I C 1.095 177.231 176.117 0.032 0.000 1.025 151 I CA 0.108 61.427 61.300 0.031 0.000 1.197 151 I CB 1.110 39.117 38.000 0.011 0.000 1.358 151 I HN 0.665 nan 8.210 nan 0.000 0.467 152 E N 3.837 124.052 120.200 0.025 0.000 2.017 152 E HA -0.068 4.281 4.350 -0.001 0.000 0.193 152 E C 0.247 176.858 176.600 0.019 0.000 0.997 152 E CA 1.048 57.462 56.400 0.023 0.000 0.804 152 E CB 0.115 29.828 29.700 0.021 0.000 0.757 152 E HN 0.540 nan 8.360 nan 0.000 0.448 153 N N -0.158 118.550 118.700 0.013 0.000 2.357 153 N HA 0.314 5.054 4.740 -0.001 0.000 0.284 153 N C -1.712 173.798 175.510 -0.000 0.000 1.236 153 N CA -0.547 52.510 53.050 0.011 0.000 0.774 153 N CB 2.567 41.062 38.487 0.012 0.000 1.534 153 N HN -0.075 nan 8.380 nan 0.000 0.478 154 L N 2.036 123.261 121.223 0.003 0.000 2.446 154 L HA 0.520 4.860 4.340 -0.001 0.000 0.268 154 L C -1.264 175.610 176.870 0.007 0.000 0.975 154 L CA -0.336 54.497 54.840 -0.012 0.000 0.848 154 L CB 0.254 42.305 42.059 -0.014 0.000 1.225 154 L HN 0.622 nan 8.230 nan 0.000 0.410 155 C N 4.320 123.611 119.300 -0.015 0.000 2.614 155 C HA 0.693 5.152 4.460 -0.001 0.000 0.320 155 C C -0.135 174.849 174.990 -0.009 0.000 1.200 155 C CA -1.055 57.980 59.018 0.027 0.000 1.700 155 C CB 1.798 29.551 27.740 0.021 0.000 2.275 155 C HN 0.706 nan 8.230 nan 0.000 0.492 156 L N 3.321 124.576 121.223 0.054 0.000 2.298 156 L HA 0.607 4.947 4.340 -0.001 0.000 0.284 156 L C -0.133 176.778 176.870 0.068 0.000 1.013 156 L CA 0.377 55.203 54.840 -0.023 0.000 0.824 156 L CB 0.471 42.432 42.059 -0.163 0.000 1.221 156 L HN 0.926 nan 8.230 nan 0.000 0.418 157 E N 2.607 122.818 120.200 0.019 0.000 2.433 157 E HA 0.538 4.887 4.350 -0.001 0.000 0.273 157 E C -1.412 175.215 176.600 0.045 0.000 0.950 157 E CA -1.040 55.407 56.400 0.079 0.000 0.796 157 E CB 1.430 31.176 29.700 0.076 0.000 1.330 157 E HN 0.534 nan 8.360 nan 0.000 0.455 158 E N 0.829 121.084 120.200 0.092 0.000 2.301 158 E HA 0.162 4.512 4.350 -0.001 0.000 0.275 158 E C -0.742 175.887 176.600 0.048 0.000 1.030 158 E CA -0.707 55.726 56.400 0.056 0.000 0.852 158 E CB 0.901 30.659 29.700 0.097 0.000 1.060 158 E HN 0.352 nan 8.360 nan 0.000 0.401 159 D N 0.818 121.235 120.400 0.029 0.000 2.344 159 D HA 0.257 4.896 4.640 -0.001 0.000 0.244 159 D C -0.651 175.662 176.300 0.022 0.000 1.134 159 D CA -0.199 53.825 54.000 0.041 0.000 0.930 159 D CB 1.122 41.941 40.800 0.032 0.000 1.175 159 D HN 0.466 nan 8.370 nan 0.000 0.437 160 A N 1.115 123.950 122.820 0.025 0.000 2.271 160 A HA 0.644 4.964 4.320 -0.001 0.000 0.288 160 A C 0.148 177.749 177.584 0.029 0.000 1.094 160 A CA -0.100 51.936 52.037 -0.002 0.000 0.828 160 A CB 0.418 19.417 19.000 -0.001 0.000 1.091 160 A HN 0.629 nan 8.150 nan 0.000 0.493 161 A N 0.415 123.240 122.820 0.008 0.000 2.409 161 A HA 0.522 4.842 4.320 -0.001 0.000 0.246 161 A C 0.664 178.416 177.584 0.280 0.000 1.099 161 A CA 0.170 52.276 52.037 0.115 0.000 0.789 161 A CB 0.008 19.066 19.000 0.096 0.000 1.053 161 A HN 1.001 nan 8.150 nan 0.000 0.503 162 R N 0.466 121.137 120.500 0.285 0.000 2.732 162 R HA 0.610 4.950 4.340 -0.001 0.000 0.278 162 R C -0.746 175.641 176.300 0.144 0.000 0.976 162 R CA -0.859 55.371 56.100 0.216 0.000 0.963 162 R CB 1.254 31.617 30.300 0.106 0.000 1.150 162 R HN 0.682 nan 8.270 nan 0.000 0.478 163 R N 1.404 121.840 120.500 -0.108 0.000 2.539 163 R HA 0.199 4.538 4.340 -0.001 0.000 0.275 163 R C 0.132 176.316 176.300 -0.193 0.000 1.077 163 R CA -0.225 55.618 56.100 -0.427 0.000 1.097 163 R CB 0.720 30.746 30.300 -0.456 0.000 1.018 163 R HN 0.617 nan 8.270 nan 0.000 0.483 164 I N 0.423 120.881 120.570 -0.187 0.000 4.398 164 I HA 0.152 4.322 4.170 -0.001 0.000 0.310 164 I C 0.274 176.334 176.117 -0.095 0.000 1.232 164 I CA 0.574 61.821 61.300 -0.088 0.000 1.312 164 I CB 0.464 38.446 38.000 -0.030 0.000 1.347 164 I HN 0.467 nan 8.210 nan 0.000 0.454 165 R N -0.310 120.115 120.500 -0.124 0.000 2.733 165 R HA 0.493 4.833 4.340 -0.001 0.000 0.272 165 R C -1.098 175.130 176.300 -0.120 0.000 1.029 165 R CA -0.812 55.224 56.100 -0.106 0.000 0.888 165 R CB 1.967 32.215 30.300 -0.087 0.000 1.251 165 R HN -0.233 nan 8.270 nan 0.000 0.464 166 E N 1.096 121.239 120.200 -0.096 0.000 2.260 166 E HA 0.402 4.752 4.350 -0.001 0.000 0.266 166 E C -1.425 175.129 176.600 -0.077 0.000 0.887 166 E CA -0.190 56.159 56.400 -0.085 0.000 0.777 166 E CB 2.545 32.201 29.700 -0.073 0.000 1.205 166 E HN 0.517 nan 8.360 nan 0.000 0.414 167 T N 0.976 115.480 114.554 -0.083 0.000 2.864 167 T HA 0.396 4.746 4.350 -0.001 0.000 0.289 167 T C 1.122 175.781 174.700 -0.067 0.000 1.082 167 T CA 0.005 62.057 62.100 -0.081 0.000 1.009 167 T CB 1.541 70.342 68.868 -0.112 0.000 1.234 167 T HN 0.494 nan 8.240 nan 0.000 0.526 168 G N 0.462 109.226 108.800 -0.060 0.000 2.545 168 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.222 168 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.222 168 G C 0.777 175.643 174.900 -0.057 0.000 1.126 168 G CA 1.141 46.208 45.100 -0.054 0.000 0.754 168 G HN 0.691 nan 8.290 nan 0.000 0.583 169 D N 0.434 120.804 120.400 -0.050 0.000 2.881 169 D HA 0.417 5.057 4.640 -0.001 0.000 0.240 169 D C 1.208 177.583 176.300 0.124 0.000 1.249 169 D CA 0.899 54.906 54.000 0.011 0.000 0.839 169 D CB -0.724 40.124 40.800 0.081 0.000 1.042 169 D HN 0.522 nan 8.370 nan 0.000 0.475 170 G N -0.575 108.233 108.800 0.014 0.000 2.796 170 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.226 170 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.226 170 G C -0.125 174.769 174.900 -0.011 0.000 1.381 170 G CA -0.411 44.680 45.100 -0.016 0.000 0.867 170 G HN 0.315 nan 8.290 nan 0.000 0.552 171 V N -0.664 119.248 119.914 -0.004 0.000 2.963 171 V HA 0.420 4.539 4.120 -0.001 0.000 0.306 171 V C 0.985 177.158 176.094 0.132 0.000 1.077 171 V CA -0.043 62.287 62.300 0.049 0.000 1.124 171 V CB 1.401 33.337 31.823 0.189 0.000 0.987 171 V HN 1.029 nan 8.190 nan 0.000 0.487 172 V N 4.455 124.353 119.914 -0.026 0.000 2.380 172 V HA 0.449 4.569 4.120 -0.001 0.000 0.286 172 V C -0.543 175.546 176.094 -0.009 0.000 1.015 172 V CA -0.330 61.997 62.300 0.046 0.000 0.834 172 V CB 0.914 32.722 31.823 -0.025 0.000 1.009 172 V HN 0.622 nan 8.190 nan 0.000 0.428 173 F N 3.105 123.111 119.950 0.094 0.000 2.440 173 F HA 0.672 5.199 4.527 -0.001 0.000 0.328 173 F C 0.575 176.464 175.800 0.149 0.000 1.070 173 F CA -0.655 57.423 58.000 0.130 0.000 1.011 173 F CB 1.407 40.516 39.000 0.181 0.000 1.226 173 F HN 0.315 nan 8.300 nan 0.000 0.491 174 R N 1.738 122.430 120.500 0.319 0.000 2.514 174 R HA 0.473 4.813 4.340 -0.001 0.000 0.301 174 R C -0.140 176.289 176.300 0.215 0.000 0.962 174 R CA -0.511 55.728 56.100 0.232 0.000 0.882 174 R CB 0.982 31.406 30.300 0.208 0.000 1.143 174 R HN 0.839 nan 8.270 nan 0.000 0.452 175 L N 3.173 124.498 121.223 0.169 0.000 2.599 175 L HA -0.018 4.321 4.340 -0.001 0.000 0.230 175 L C 1.288 178.221 176.870 0.104 0.000 1.141 175 L CA 0.126 55.021 54.840 0.092 0.000 0.877 175 L CB -0.346 41.725 42.059 0.020 0.000 1.009 175 L HN 0.753 nan 8.230 nan 0.000 0.447 176 D N 0.986 121.487 120.400 0.168 0.000 2.123 176 D HA -0.301 4.338 4.640 -0.001 0.000 0.196 176 D C 2.086 178.413 176.300 0.045 0.000 0.992 176 D CA 1.396 55.455 54.000 0.099 0.000 0.833 176 D CB -0.237 40.602 40.800 0.067 0.000 0.954 176 D HN 0.280 nan 8.370 nan 0.000 0.455 177 R N -0.498 120.034 120.500 0.054 0.000 2.193 177 R HA 0.058 4.397 4.340 -0.001 0.000 0.213 177 R C 0.572 176.882 176.300 0.017 0.000 1.055 177 R CA -0.345 55.775 56.100 0.032 0.000 0.995 177 R CB -0.340 29.987 30.300 0.045 0.000 0.893 177 R HN 0.136 nan 8.270 nan 0.000 0.459 178 L N 1.083 122.314 121.223 0.012 0.000 2.584 178 L HA 0.120 4.460 4.340 -0.001 0.000 0.272 178 L C 0.907 177.762 176.870 -0.024 0.000 1.195 178 L CA 1.791 56.616 54.840 -0.025 0.000 0.920 178 L CB 0.766 42.783 42.059 -0.070 0.000 1.173 178 L HN 0.527 nan 8.230 nan 0.000 0.489 179 G N 4.148 112.938 108.800 -0.017 0.000 2.232 179 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.226 179 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.226 179 G C 0.420 175.299 174.900 -0.035 0.000 0.996 179 G CA 0.004 45.096 45.100 -0.013 0.000 0.626 179 G HN 0.635 nan 8.290 nan 0.000 0.509 180 I N 3.251 123.803 120.570 -0.030 0.000 2.683 180 I HA 0.200 4.369 4.170 -0.001 0.000 0.286 180 I C -1.637 174.448 176.117 -0.054 0.000 1.175 180 I CA -1.500 59.774 61.300 -0.043 0.000 1.429 180 I CB 0.650 38.634 38.000 -0.026 0.000 1.371 180 I HN -0.052 nan 8.210 nan 0.000 0.569 181 P HA 0.147 nan 4.420 nan 0.000 0.267 181 P C -0.933 176.324 177.300 -0.072 0.000 1.200 181 P CA 0.046 63.080 63.100 -0.110 0.000 0.772 181 P CB 0.602 32.215 31.700 -0.146 0.000 0.855 182 L N 2.876 124.057 121.223 -0.071 0.000 2.466 182 L HA 0.534 4.874 4.340 -0.001 0.000 0.258 182 L C -1.084 175.732 176.870 -0.090 0.000 0.973 182 L CA -0.703 54.108 54.840 -0.049 0.000 0.826 182 L CB 2.469 44.532 42.059 0.006 0.000 1.372 182 L HN 0.151 nan 8.230 nan 0.000 0.409 183 V N -0.819 119.031 119.914 -0.107 0.000 2.444 183 V HA 0.646 4.766 4.120 -0.001 0.000 0.294 183 V C -0.527 175.438 176.094 -0.214 0.000 1.022 183 V CA -0.596 61.624 62.300 -0.134 0.000 0.850 183 V CB 1.596 33.356 31.823 -0.104 0.000 0.992 183 V HN 0.761 nan 8.190 nan 0.000 0.426 184 E N 5.044 125.073 120.200 -0.286 0.000 2.115 184 E HA 0.547 4.896 4.350 -0.001 0.000 0.282 184 E C -0.953 175.547 176.600 -0.166 0.000 0.987 184 E CA -0.381 55.772 56.400 -0.411 0.000 0.797 184 E CB 2.046 31.467 29.700 -0.465 0.000 1.086 184 E HN 0.721 nan 8.360 nan 0.000 0.397 185 I N 3.350 123.861 120.570 -0.100 0.000 2.355 185 I HA 0.186 4.356 4.170 -0.001 0.000 0.288 185 I C 0.011 176.120 176.117 -0.012 0.000 0.999 185 I CA -0.503 60.770 61.300 -0.045 0.000 1.163 185 I CB 1.507 39.486 38.000 -0.035 0.000 1.316 185 I HN 0.382 nan 8.210 nan 0.000 0.454 186 T N 1.588 116.139 114.554 -0.004 0.000 2.888 186 T HA 0.626 4.976 4.350 -0.001 0.000 0.284 186 T C 0.083 174.791 174.700 0.013 0.000 1.017 186 T CA -0.788 61.320 62.100 0.013 0.000 1.022 186 T CB 1.855 70.734 68.868 0.019 0.000 1.013 186 T HN 0.642 nan 8.240 nan 0.000 0.465 187 T N -1.447 113.117 114.554 0.016 0.000 2.927 187 T HA 0.505 4.854 4.350 -0.001 0.000 0.286 187 T C -0.389 174.322 174.700 0.019 0.000 1.040 187 T CA -0.912 61.198 62.100 0.017 0.000 1.010 187 T CB 1.291 70.168 68.868 0.014 0.000 1.177 187 T HN 0.601 nan 8.240 nan 0.000 0.546 188 D N 0.988 121.400 120.400 0.021 0.000 2.533 188 D HA 0.135 4.775 4.640 -0.001 0.000 0.236 188 D C -1.662 174.648 176.300 0.016 0.000 1.137 188 D CA -1.635 52.377 54.000 0.020 0.000 0.867 188 D CB 0.913 41.726 40.800 0.022 0.000 1.170 188 D HN 0.220 nan 8.370 nan 0.000 0.474 189 P HA 0.034 nan 4.420 nan 0.000 0.237 189 P C -0.600 176.707 177.300 0.013 0.000 1.178 189 P CA 0.527 63.636 63.100 0.015 0.000 0.766 189 P CB 0.201 31.912 31.700 0.019 0.000 0.876 190 S N -2.118 113.590 115.700 0.013 0.000 2.406 190 S HA 0.427 4.897 4.470 -0.001 0.000 0.224 190 S C 0.521 175.127 174.600 0.010 0.000 1.426 190 S CA -0.590 57.617 58.200 0.013 0.000 1.179 190 S CB 0.470 63.681 63.200 0.019 0.000 1.042 190 S HN -0.226 nan 8.310 nan 0.000 0.479 191 M N 2.822 122.421 119.600 -0.002 0.000 2.131 191 M HA 0.209 4.688 4.480 -0.001 0.000 0.253 191 M C 1.714 178.010 176.300 -0.007 0.000 1.107 191 M CA 2.228 57.522 55.300 -0.009 0.000 1.147 191 M CB -0.520 32.062 32.600 -0.031 0.000 1.279 191 M HN 0.995 nan 8.290 nan 0.000 0.432 192 S N -1.515 114.170 115.700 -0.025 0.000 1.699 192 S HA -0.156 4.313 4.470 -0.001 0.000 0.247 192 S C -0.148 174.429 174.600 -0.037 0.000 0.992 192 S CA 0.892 59.093 58.200 0.001 0.000 1.257 192 S CB -1.712 61.517 63.200 0.048 0.000 1.518 192 S HN 0.685 nan 8.310 nan 0.000 0.537 193 D N 1.157 121.504 120.400 -0.090 0.000 2.471 193 D HA 0.530 5.169 4.640 -0.001 0.000 0.245 193 D C -1.653 174.500 176.300 -0.245 0.000 1.116 193 D CA -1.879 52.035 54.000 -0.143 0.000 0.853 193 D CB 1.935 42.731 40.800 -0.007 0.000 1.123 193 D HN 0.105 nan 8.370 nan 0.000 0.540 194 P HA -0.193 nan 4.420 nan 0.000 0.216 194 P C 1.340 178.535 177.300 -0.175 0.000 1.157 194 P CA 1.238 64.108 63.100 -0.383 0.000 0.880 194 P CB 0.398 31.756 31.700 -0.571 0.000 0.791 195 Q N -0.681 119.055 119.800 -0.107 0.000 2.226 195 Q HA -0.227 4.113 4.340 -0.001 0.000 0.204 195 Q C 2.198 178.179 176.000 -0.031 0.000 0.975 195 Q CA 1.472 57.252 55.803 -0.039 0.000 0.866 195 Q CB -0.646 28.097 28.738 0.007 0.000 0.915 195 Q HN 0.490 nan 8.270 nan 0.000 0.440 196 Q N -0.006 119.771 119.800 -0.038 0.000 2.123 196 Q HA -0.119 4.220 4.340 -0.001 0.000 0.199 196 Q C 2.004 177.993 176.000 -0.019 0.000 0.966 196 Q CA 0.561 56.353 55.803 -0.017 0.000 0.845 196 Q CB 0.001 28.731 28.738 -0.013 0.000 0.907 196 Q HN 0.259 nan 8.270 nan 0.000 0.439 197 L N 1.342 122.537 121.223 -0.047 0.000 2.046 197 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 197 L C 2.388 179.252 176.870 -0.011 0.000 1.077 197 L CA 2.257 57.075 54.840 -0.037 0.000 0.747 197 L CB -0.516 41.501 42.059 -0.069 0.000 0.896 197 L HN 0.285 nan 8.230 nan 0.000 0.432 198 R N -0.575 119.915 120.500 -0.015 0.000 2.115 198 R HA -0.173 4.167 4.340 -0.001 0.000 0.230 198 R C 1.993 178.324 176.300 0.052 0.000 1.111 198 R CA 1.586 57.693 56.100 0.012 0.000 0.976 198 R CB -0.859 29.435 30.300 -0.010 0.000 0.870 198 R HN 0.405 nan 8.270 nan 0.000 0.445 199 E N 0.768 120.992 120.200 0.039 0.000 2.072 199 E HA -0.081 4.269 4.350 -0.001 0.000 0.191 199 E C 1.808 178.473 176.600 0.107 0.000 0.985 199 E CA 1.556 58.001 56.400 0.075 0.000 0.801 199 E CB -0.110 29.616 29.700 0.043 0.000 0.750 199 E HN 0.206 nan 8.360 nan 0.000 0.452 200 V N 0.909 120.858 119.914 0.059 0.000 2.270 200 V HA -0.228 3.892 4.120 -0.001 0.000 0.245 200 V C 2.413 178.531 176.094 0.041 0.000 1.043 200 V CA 1.795 64.120 62.300 0.041 0.000 1.014 200 V CB -1.076 30.759 31.823 0.020 0.000 0.645 200 V HN 0.447 nan 8.190 nan 0.000 0.447 201 A N -0.703 122.146 122.820 0.047 0.000 1.917 201 A HA -0.316 4.004 4.320 -0.001 0.000 0.219 201 A C 2.181 179.797 177.584 0.054 0.000 1.182 201 A CA 2.445 54.507 52.037 0.041 0.000 0.633 201 A CB -0.854 18.173 19.000 0.044 0.000 0.819 201 A HN 0.669 nan 8.150 nan 0.000 0.448 202 Y N 0.298 120.590 120.300 -0.013 0.000 2.114 202 Y HA -0.245 4.305 4.550 -0.001 0.000 0.284 202 Y C 2.561 178.453 175.900 -0.013 0.000 1.143 202 Y CA 2.337 60.430 58.100 -0.012 0.000 1.135 202 Y CB -0.645 37.809 38.460 -0.010 0.000 0.980 202 Y HN 0.434 nan 8.280 nan 0.000 0.499 203 Q N 0.068 119.830 119.800 -0.063 0.000 2.096 203 Q HA -0.219 4.121 4.340 -0.001 0.000 0.204 203 Q C 2.356 178.251 176.000 -0.174 0.000 0.982 203 Q CA 2.281 57.998 55.803 -0.143 0.000 0.850 203 Q CB -0.276 28.460 28.738 -0.004 0.000 0.901 203 Q HN 0.586 nan 8.270 nan 0.000 0.422 204 I N 0.089 120.593 120.570 -0.109 0.000 2.127 204 I HA -0.261 3.909 4.170 -0.001 0.000 0.241 204 I C 2.359 178.399 176.117 -0.128 0.000 1.075 204 I CA 1.315 62.559 61.300 -0.094 0.000 1.334 204 I CB -0.922 37.046 38.000 -0.054 0.000 1.040 204 I HN 0.333 nan 8.210 nan 0.000 0.405 205 G N 0.269 108.975 108.800 -0.157 0.000 2.491 205 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.218 205 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.218 205 G C 1.533 176.305 174.900 -0.213 0.000 1.180 205 G CA 0.489 45.489 45.100 -0.167 0.000 0.774 205 G HN 0.315 nan 8.290 nan 0.000 0.562 206 Q N 0.061 119.653 119.800 -0.348 0.000 2.181 206 Q HA 0.011 4.350 4.340 -0.001 0.000 0.205 206 Q C 2.643 178.540 176.000 -0.171 0.000 0.980 206 Q CA 0.676 56.302 55.803 -0.295 0.000 0.862 206 Q CB -0.277 28.209 28.738 -0.421 0.000 0.905 206 Q HN 0.578 nan 8.270 nan 0.000 0.429 207 I N 0.211 120.691 120.570 -0.151 0.000 2.163 207 I HA -0.263 3.907 4.170 -0.001 0.000 0.240 207 I C 2.209 178.272 176.117 -0.089 0.000 1.081 207 I CA 0.761 61.999 61.300 -0.104 0.000 1.353 207 I CB -0.188 37.755 38.000 -0.094 0.000 1.054 207 I HN 0.168 nan 8.210 nan 0.000 0.407 208 L N 0.391 121.559 121.223 -0.091 0.000 2.043 208 L HA -0.229 4.110 4.340 -0.001 0.000 0.212 208 L C 2.466 179.293 176.870 -0.071 0.000 1.075 208 L CA 1.283 56.078 54.840 -0.075 0.000 0.752 208 L CB -0.666 41.352 42.059 -0.068 0.000 0.891 208 L HN 0.266 nan 8.230 nan 0.000 0.432 209 R N -0.694 119.758 120.500 -0.080 0.000 2.357 209 R HA -0.012 4.328 4.340 -0.001 0.000 0.202 209 R C 1.820 178.085 176.300 -0.059 0.000 1.047 209 R CA 0.512 56.571 56.100 -0.067 0.000 1.034 209 R CB -0.382 29.874 30.300 -0.074 0.000 0.875 209 R HN 0.253 nan 8.270 nan 0.000 0.473 210 S N 0.402 116.065 115.700 -0.062 0.000 2.593 210 S HA 0.009 4.478 4.470 -0.001 0.000 0.217 210 S C 0.732 175.304 174.600 -0.046 0.000 0.966 210 S CA 0.337 58.506 58.200 -0.051 0.000 0.914 210 S CB 0.371 63.540 63.200 -0.052 0.000 0.776 210 S HN 0.498 nan 8.310 nan 0.000 0.523 211 T N -1.041 113.482 114.554 -0.051 0.000 2.864 211 T HA 0.455 4.805 4.350 -0.001 0.000 0.289 211 T C -0.451 174.218 174.700 -0.051 0.000 1.082 211 T CA -0.981 61.089 62.100 -0.051 0.000 1.009 211 T CB 1.033 69.866 68.868 -0.058 0.000 1.234 211 T HN -0.178 nan 8.240 nan 0.000 0.526 212 R N 1.109 121.578 120.500 -0.052 0.000 2.540 212 R HA 0.400 4.740 4.340 -0.001 0.000 0.317 212 R C -0.953 175.314 176.300 -0.056 0.000 1.233 212 R CA 0.069 56.138 56.100 -0.052 0.000 1.003 212 R CB -0.753 29.514 30.300 -0.054 0.000 1.034 212 R HN 0.439 nan 8.270 nan 0.000 0.483 213 V N 3.665 123.549 119.914 -0.050 0.000 2.914 213 V HA 0.249 4.369 4.120 -0.001 0.000 0.314 213 V C -0.004 176.065 176.094 -0.041 0.000 1.084 213 V CA -1.198 61.073 62.300 -0.049 0.000 0.963 213 V CB 2.417 34.211 31.823 -0.048 0.000 1.025 213 V HN 0.463 nan 8.190 nan 0.000 0.432 214 K N 2.380 122.757 120.400 -0.038 0.000 2.382 214 K HA 0.395 4.714 4.320 -0.001 0.000 0.275 214 K C -0.481 176.102 176.600 -0.027 0.000 1.009 214 K CA -0.136 56.132 56.287 -0.032 0.000 0.970 214 K CB 0.554 33.038 32.500 -0.027 0.000 0.934 214 K HN 0.519 nan 8.250 nan 0.000 0.479 215 R N 0.081 120.566 120.500 -0.025 0.000 2.621 215 R HA 0.719 5.058 4.340 -0.001 0.000 0.292 215 R C 0.281 176.571 176.300 -0.017 0.000 0.969 215 R CA -0.507 55.579 56.100 -0.022 0.000 0.887 215 R CB 1.906 32.192 30.300 -0.024 0.000 1.180 215 R HN 0.857 nan 8.270 nan 0.000 0.450 216 G N 0.610 109.402 108.800 -0.013 0.000 2.291 216 G HA2 -0.046 3.914 3.960 -0.001 0.000 0.249 216 G HA3 -0.046 3.914 3.960 -0.001 0.000 0.249 216 G C -0.312 174.584 174.900 -0.007 0.000 1.340 216 G CA -0.759 44.336 45.100 -0.010 0.000 1.017 216 G HN 0.394 nan 8.290 nan 0.000 0.470 217 L N 0.852 122.072 121.223 -0.005 0.000 1.868 217 L HA 0.209 4.549 4.340 -0.001 0.000 0.222 217 L C 3.303 180.171 176.870 -0.003 0.000 1.108 217 L CA 1.657 56.495 54.840 -0.003 0.000 0.822 217 L CB -1.061 40.996 42.059 -0.003 0.000 0.891 217 L HN 0.891 nan 8.230 nan 0.000 0.441 218 G N -0.780 108.019 108.800 -0.002 0.000 2.606 218 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.223 218 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.223 218 G C 1.327 176.228 174.900 0.002 0.000 1.106 218 G CA 1.645 46.745 45.100 0.000 0.000 0.745 218 G HN 0.454 nan 8.290 nan 0.000 0.597 219 T N 0.431 114.985 114.554 -0.001 0.000 2.212 219 T HA -0.297 4.053 4.350 -0.001 0.000 0.200 219 T C 1.345 176.049 174.700 0.006 0.000 1.643 219 T CA 1.550 63.650 62.100 -0.002 0.000 1.063 219 T CB -0.265 68.599 68.868 -0.008 0.000 0.833 219 T HN 0.290 nan 8.240 nan 0.000 0.418 220 I N 0.585 121.157 120.570 0.004 0.000 2.934 220 I HA 0.460 4.629 4.170 -0.001 0.000 0.315 220 I C -0.454 175.671 176.117 0.014 0.000 0.997 220 I CA -0.947 60.361 61.300 0.013 0.000 1.184 220 I CB 0.840 38.843 38.000 0.005 0.000 1.400 220 I HN 0.313 nan 8.210 nan 0.000 0.549 221 R N 4.308 124.823 120.500 0.025 0.000 2.523 221 R HA 0.365 4.705 4.340 -0.001 0.000 0.278 221 R C -1.769 174.541 176.300 0.018 0.000 1.150 221 R CA -0.803 55.298 56.100 0.003 0.000 0.987 221 R CB 1.583 31.862 30.300 -0.035 0.000 1.232 221 R HN 0.508 nan 8.270 nan 0.000 0.424 222 Q N 2.051 121.854 119.800 0.005 0.000 2.330 222 Q HA 0.372 4.712 4.340 -0.001 0.000 0.269 222 Q C -1.328 174.673 176.000 0.001 0.000 1.022 222 Q CA -0.939 54.873 55.803 0.015 0.000 0.796 222 Q CB 2.706 31.453 28.738 0.015 0.000 1.271 222 Q HN 0.381 nan 8.270 nan 0.000 0.450 223 D N 3.640 124.045 120.400 0.008 0.000 2.481 223 D HA 0.336 4.976 4.640 -0.001 0.000 0.246 223 D C -0.803 175.501 176.300 0.008 0.000 1.109 223 D CA -0.481 53.518 54.000 -0.001 0.000 0.845 223 D CB 1.583 42.376 40.800 -0.012 0.000 1.160 223 D HN 0.270 nan 8.370 nan 0.000 0.534 224 L N 1.251 122.475 121.223 0.001 0.000 2.379 224 L HA 0.502 4.842 4.340 -0.001 0.000 0.269 224 L C 0.073 176.944 176.870 0.001 0.000 1.084 224 L CA -0.742 54.097 54.840 -0.002 0.000 0.802 224 L CB 0.336 42.387 42.059 -0.014 0.000 1.175 224 L HN 0.036 nan 8.230 nan 0.000 0.448 225 N N 1.576 120.277 118.700 0.001 0.000 2.626 225 N HA 0.565 5.305 4.740 -0.001 0.000 0.249 225 N C -0.984 174.526 175.510 -0.000 0.000 1.021 225 N CA -0.223 52.831 53.050 0.007 0.000 0.886 225 N CB 0.970 39.466 38.487 0.015 0.000 1.149 225 N HN 0.514 nan 8.380 nan 0.000 0.517 226 I N 0.482 121.052 120.570 -0.000 0.000 2.581 226 I HA 0.445 4.614 4.170 -0.001 0.000 0.288 226 I C 0.626 176.751 176.117 0.013 0.000 1.047 226 I CA -0.256 61.040 61.300 -0.007 0.000 1.374 226 I CB 1.263 39.257 38.000 -0.009 0.000 1.423 226 I HN 0.382 nan 8.210 nan 0.000 0.549 227 S N 5.862 121.571 115.700 0.015 0.000 2.596 227 S HA 0.766 5.235 4.470 -0.001 0.000 0.270 227 S C -1.252 173.373 174.600 0.041 0.000 1.155 227 S CA -0.593 57.625 58.200 0.029 0.000 0.827 227 S CB 1.533 64.749 63.200 0.027 0.000 1.130 227 S HN 0.518 nan 8.310 nan 0.000 0.467 228 I N 1.794 122.392 120.570 0.048 0.000 2.775 228 I HA 0.402 4.572 4.170 -0.001 0.000 0.295 228 I C -0.140 176.006 176.117 0.048 0.000 1.287 228 I CA -0.764 60.572 61.300 0.059 0.000 1.029 228 I CB 2.285 40.328 38.000 0.072 0.000 1.282 228 I HN 0.775 nan 8.210 nan 0.000 0.426 229 R N 3.619 124.148 120.500 0.048 0.000 2.697 229 R HA -0.038 4.302 4.340 -0.001 0.000 0.265 229 R C 0.126 176.445 176.300 0.031 0.000 1.009 229 R CA 1.175 57.297 56.100 0.037 0.000 1.099 229 R CB 0.215 30.537 30.300 0.035 0.000 0.965 229 R HN 0.835 nan 8.270 nan 0.000 0.428 230 D N -0.020 120.395 120.400 0.025 0.000 2.792 230 D HA -0.228 4.412 4.640 -0.001 0.000 0.231 230 D C 0.072 176.384 176.300 0.021 0.000 1.160 230 D CA 1.352 55.364 54.000 0.019 0.000 0.697 230 D CB -1.117 39.691 40.800 0.014 0.000 1.070 230 D HN 0.663 nan 8.370 nan 0.000 0.426 231 G N -1.248 107.569 108.800 0.027 0.000 3.356 231 G HA2 0.894 4.853 3.960 -0.001 0.000 0.178 231 G HA3 0.894 4.853 3.960 -0.001 0.000 0.178 231 G C -0.611 174.308 174.900 0.031 0.000 1.175 231 G CA -0.058 45.060 45.100 0.030 0.000 0.840 231 G HN 1.190 nan 8.290 nan 0.000 0.658 232 A N -1.406 121.437 122.820 0.037 0.000 2.597 232 A HA 0.694 5.014 4.320 -0.001 0.000 0.292 232 A C -1.069 176.541 177.584 0.044 0.000 1.057 232 A CA -0.697 51.364 52.037 0.040 0.000 0.674 232 A CB 1.106 20.133 19.000 0.044 0.000 1.278 232 A HN 0.384 nan 8.150 nan 0.000 0.416 233 R N 0.267 120.794 120.500 0.045 0.000 2.389 233 R HA 0.528 4.868 4.340 -0.001 0.000 0.295 233 R C -0.999 175.333 176.300 0.053 0.000 1.075 233 R CA -0.046 56.080 56.100 0.044 0.000 1.005 233 R CB 0.862 31.186 30.300 0.040 0.000 0.987 233 R HN 0.550 nan 8.270 nan 0.000 0.452 234 V N 2.363 122.307 119.914 0.049 0.000 2.668 234 V HA 0.224 4.344 4.120 -0.001 0.000 0.304 234 V C -0.109 176.009 176.094 0.040 0.000 1.071 234 V CA -0.897 61.438 62.300 0.058 0.000 0.894 234 V CB 2.242 34.105 31.823 0.065 0.000 1.008 234 V HN 0.663 nan 8.190 nan 0.000 0.425 235 E N 2.965 123.187 120.200 0.035 0.000 2.174 235 E HA 0.571 4.921 4.350 -0.001 0.000 0.282 235 E C -1.398 175.209 176.600 0.011 0.000 0.992 235 E CA -0.442 55.969 56.400 0.019 0.000 0.803 235 E CB 1.848 31.555 29.700 0.012 0.000 1.090 235 E HN 0.523 nan 8.360 nan 0.000 0.396 236 V N 5.600 125.518 119.914 0.006 0.000 2.347 236 V HA 0.272 4.392 4.120 -0.001 0.000 0.280 236 V C 0.007 176.095 176.094 -0.010 0.000 1.021 236 V CA -0.663 61.638 62.300 0.001 0.000 0.847 236 V CB 1.202 33.028 31.823 0.004 0.000 0.990 236 V HN 0.606 nan 8.190 nan 0.000 0.444 237 K N 2.825 123.213 120.400 -0.019 0.000 2.130 237 K HA 0.602 4.922 4.320 -0.001 0.000 0.268 237 K C 0.792 177.377 176.600 -0.025 0.000 0.983 237 K CA 0.040 56.310 56.287 -0.029 0.000 0.893 237 K CB 1.540 34.015 32.500 -0.043 0.000 1.066 237 K HN 1.038 nan 8.250 nan 0.000 0.450 238 G N 1.060 109.844 108.800 -0.027 0.000 2.381 238 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.281 238 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.281 238 G C -0.226 174.667 174.900 -0.011 0.000 0.984 238 G CA -0.383 44.704 45.100 -0.020 0.000 1.339 238 G HN 0.363 nan 8.290 nan 0.000 0.485 239 V N 2.301 122.212 119.914 -0.006 0.000 2.169 239 V HA 0.172 4.292 4.120 -0.001 0.000 0.271 239 V C 1.737 177.832 176.094 0.003 0.000 1.372 239 V CA 0.301 62.600 62.300 -0.001 0.000 1.348 239 V CB 0.591 32.413 31.823 -0.001 0.000 1.379 239 V HN 0.672 nan 8.190 nan 0.000 0.491 240 Q N 0.957 120.759 119.800 0.002 0.000 2.103 240 Q HA -0.229 4.110 4.340 -0.001 0.000 0.213 240 Q C 1.198 177.206 176.000 0.013 0.000 1.008 240 Q CA 2.139 57.945 55.803 0.006 0.000 0.879 240 Q CB -0.056 28.685 28.738 0.004 0.000 0.946 240 Q HN 0.740 nan 8.270 nan 0.000 0.413 241 D N -1.150 119.258 120.400 0.012 0.000 2.313 241 D HA 0.075 4.714 4.640 -0.001 0.000 0.239 241 D C 0.186 176.497 176.300 0.019 0.000 1.142 241 D CA -0.139 53.871 54.000 0.017 0.000 0.847 241 D CB 0.976 41.784 40.800 0.013 0.000 1.082 241 D HN -0.040 nan 8.370 nan 0.000 0.480 242 L N 3.167 124.409 121.223 0.033 0.000 2.093 242 L HA -0.067 4.273 4.340 -0.001 0.000 0.208 242 L C 1.908 178.790 176.870 0.019 0.000 1.085 242 L CA 1.054 55.916 54.840 0.037 0.000 0.755 242 L CB -0.393 41.713 42.059 0.079 0.000 0.904 242 L HN 0.453 nan 8.230 nan 0.000 0.435 243 D N -0.359 120.048 120.400 0.012 0.000 2.271 243 D HA -0.174 4.466 4.640 -0.001 0.000 0.207 243 D C 1.910 178.208 176.300 -0.004 0.000 0.983 243 D CA 1.079 55.076 54.000 -0.005 0.000 0.878 243 D CB 0.160 40.955 40.800 -0.007 0.000 0.920 243 D HN 0.184 nan 8.370 nan 0.000 0.479 244 L N 0.484 121.708 121.223 0.001 0.000 2.607 244 L HA 0.183 4.522 4.340 -0.001 0.000 0.228 244 L C 1.746 178.613 176.870 -0.005 0.000 1.123 244 L CA 0.293 55.133 54.840 0.001 0.000 0.890 244 L CB -0.043 42.019 42.059 0.005 0.000 1.103 244 L HN -0.097 nan 8.230 nan 0.000 0.468 245 I N 0.590 121.153 120.570 -0.011 0.000 2.127 245 I HA -0.226 3.944 4.170 -0.001 0.000 0.241 245 I C -0.305 175.785 176.117 -0.045 0.000 1.075 245 I CA 1.344 62.628 61.300 -0.025 0.000 1.334 245 I CB -1.261 36.723 38.000 -0.026 0.000 1.040 245 I HN 0.245 nan 8.210 nan 0.000 0.405 246 P HA -0.254 nan 4.420 nan 0.000 0.217 246 P C 1.429 178.710 177.300 -0.032 0.000 1.162 246 P CA 1.634 64.698 63.100 -0.060 0.000 0.901 246 P CB 0.008 31.696 31.700 -0.020 0.000 0.793 247 E N 0.249 120.450 120.200 0.001 0.000 2.038 247 E HA -0.202 4.147 4.350 -0.001 0.000 0.195 247 E C 1.838 178.449 176.600 0.019 0.000 1.000 247 E CA 1.531 57.945 56.400 0.024 0.000 0.803 247 E CB -1.373 28.340 29.700 0.022 0.000 0.750 247 E HN 0.349 nan 8.360 nan 0.000 0.448 248 I N -1.876 118.695 120.570 0.002 0.000 2.493 248 I HA -0.135 4.034 4.170 -0.001 0.000 0.254 248 I C 1.820 177.932 176.117 -0.008 0.000 1.160 248 I CA 0.834 62.136 61.300 0.003 0.000 1.445 248 I CB -0.100 37.899 38.000 -0.000 0.000 1.086 248 I HN -0.030 nan 8.210 nan 0.000 0.433 249 V N 2.626 122.512 119.914 -0.047 0.000 2.255 249 V HA -0.266 3.853 4.120 -0.001 0.000 0.243 249 V C 2.750 178.817 176.094 -0.045 0.000 1.038 249 V CA 2.379 64.621 62.300 -0.096 0.000 1.008 249 V CB -0.933 30.751 31.823 -0.231 0.000 0.645 249 V HN 0.694 nan 8.190 nan 0.000 0.449 250 E N 0.915 121.110 120.200 -0.008 0.000 2.086 250 E HA -0.305 4.045 4.350 -0.001 0.000 0.200 250 E C 2.216 178.918 176.600 0.169 0.000 1.012 250 E CA 2.085 58.615 56.400 0.216 0.000 0.812 250 E CB -0.464 29.411 29.700 0.292 0.000 0.743 250 E HN 0.458 nan 8.360 nan 0.000 0.453 251 R N -0.065 120.493 120.500 0.097 0.000 2.152 251 R HA -0.125 4.214 4.340 -0.001 0.000 0.232 251 R C 2.173 178.514 176.300 0.069 0.000 1.117 251 R CA 1.436 57.582 56.100 0.077 0.000 0.981 251 R CB -0.174 30.159 30.300 0.054 0.000 0.870 251 R HN 0.316 nan 8.270 nan 0.000 0.451 252 E N 0.581 120.817 120.200 0.060 0.000 2.076 252 E HA -0.074 4.275 4.350 -0.001 0.000 0.190 252 E C 1.822 178.466 176.600 0.074 0.000 0.979 252 E CA 0.792 57.225 56.400 0.055 0.000 0.807 252 E CB -0.050 29.670 29.700 0.033 0.000 0.761 252 E HN -0.034 nan 8.360 nan 0.000 0.454 253 V N 1.739 121.716 119.914 0.106 0.000 2.332 253 V HA -0.295 3.824 4.120 -0.001 0.000 0.248 253 V C 2.251 178.416 176.094 0.118 0.000 1.055 253 V CA 2.220 64.610 62.300 0.151 0.000 1.038 253 V CB -0.507 31.505 31.823 0.314 0.000 0.651 253 V HN 0.287 nan 8.190 nan 0.000 0.450 254 K N -0.061 120.404 120.400 0.108 0.000 2.026 254 K HA -0.206 4.114 4.320 -0.001 0.000 0.208 254 K C 2.342 178.973 176.600 0.053 0.000 1.048 254 K CA 1.546 57.877 56.287 0.073 0.000 0.929 254 K CB -0.356 32.184 32.500 0.066 0.000 0.713 254 K HN 0.325 nan 8.250 nan 0.000 0.439 255 R N 1.593 122.125 120.500 0.053 0.000 2.105 255 R HA -0.162 4.178 4.340 -0.001 0.000 0.239 255 R C 2.179 178.501 176.300 0.037 0.000 1.135 255 R CA 1.498 57.623 56.100 0.042 0.000 0.967 255 R CB 0.054 30.382 30.300 0.047 0.000 0.861 255 R HN 0.310 nan 8.270 nan 0.000 0.442 256 Q N -0.120 119.707 119.800 0.045 0.000 2.187 256 Q HA -0.070 4.270 4.340 -0.001 0.000 0.199 256 Q C 2.218 178.235 176.000 0.029 0.000 0.957 256 Q CA 0.961 56.787 55.803 0.038 0.000 0.857 256 Q CB 0.119 28.885 28.738 0.047 0.000 0.929 256 Q HN 0.373 nan 8.270 nan 0.000 0.453 257 L N -0.029 121.215 121.223 0.035 0.000 2.027 257 L HA -0.173 4.167 4.340 -0.001 0.000 0.206 257 L C 2.436 179.312 176.870 0.010 0.000 1.074 257 L CA 0.967 55.821 54.840 0.024 0.000 0.745 257 L CB -0.326 41.750 42.059 0.029 0.000 0.898 257 L HN 0.112 nan 8.230 nan 0.000 0.433 258 S N 0.047 115.754 115.700 0.012 0.000 2.368 258 S HA -0.149 4.320 4.470 -0.001 0.000 0.225 258 S C 1.961 176.555 174.600 -0.010 0.000 1.030 258 S CA 1.206 59.407 58.200 0.002 0.000 0.999 258 S CB -0.331 62.873 63.200 0.008 0.000 0.844 258 S HN 0.290 nan 8.310 nan 0.000 0.459 259 L N 1.074 122.293 121.223 -0.006 0.000 2.191 259 L HA -0.073 4.266 4.340 -0.001 0.000 0.212 259 L C 2.190 179.044 176.870 -0.027 0.000 1.103 259 L CA 0.732 55.561 54.840 -0.018 0.000 0.769 259 L CB -0.472 41.581 42.059 -0.010 0.000 0.908 259 L HN 0.231 nan 8.230 nan 0.000 0.438 260 V N -0.526 119.379 119.914 -0.016 0.000 2.346 260 V HA -0.229 3.891 4.120 -0.001 0.000 0.244 260 V C 2.254 178.330 176.094 -0.030 0.000 1.037 260 V CA 1.497 63.786 62.300 -0.019 0.000 1.029 260 V CB -0.316 31.504 31.823 -0.005 0.000 0.663 260 V HN 0.391 nan 8.190 nan 0.000 0.454 261 E N 0.021 120.204 120.200 -0.027 0.000 2.085 261 E HA -0.207 4.143 4.350 -0.001 0.000 0.194 261 E C 2.106 178.674 176.600 -0.054 0.000 0.994 261 E CA 1.486 57.865 56.400 -0.034 0.000 0.801 261 E CB -0.170 29.515 29.700 -0.026 0.000 0.743 261 E HN 0.545 nan 8.360 nan 0.000 0.453 262 I N 0.560 121.092 120.570 -0.062 0.000 2.614 262 I HA -0.228 3.942 4.170 -0.001 0.000 0.258 262 I C 2.594 178.633 176.117 -0.131 0.000 1.189 262 I CA 0.708 61.948 61.300 -0.100 0.000 1.462 262 I CB -0.249 37.693 38.000 -0.096 0.000 1.092 262 I HN 0.096 nan 8.210 nan 0.000 0.442 263 R N 1.280 121.723 120.500 -0.095 0.000 2.062 263 R HA -0.165 4.175 4.340 -0.001 0.000 0.229 263 R C 1.665 177.910 176.300 -0.091 0.000 1.128 263 R CA 1.833 57.877 56.100 -0.094 0.000 0.960 263 R CB -0.128 30.137 30.300 -0.058 0.000 0.855 263 R HN 0.238 nan 8.270 nan 0.000 0.432 264 D N -0.156 120.202 120.400 -0.069 0.000 2.218 264 D HA -0.104 4.536 4.640 -0.001 0.000 0.204 264 D C 1.577 177.835 176.300 -0.070 0.000 0.976 264 D CA 1.476 55.441 54.000 -0.058 0.000 0.853 264 D CB -0.190 40.585 40.800 -0.042 0.000 0.939 264 D HN 0.298 nan 8.370 nan 0.000 0.481 265 T N 0.667 115.167 114.554 -0.090 0.000 2.978 265 T HA 0.077 4.426 4.350 -0.001 0.000 0.262 265 T C 2.143 176.765 174.700 -0.130 0.000 1.063 265 T CA 0.084 62.126 62.100 -0.097 0.000 1.140 265 T CB 0.050 68.859 68.868 -0.098 0.000 0.886 265 T HN 0.117 nan 8.240 nan 0.000 0.470 266 L N 0.967 122.078 121.223 -0.186 0.000 2.191 266 L HA -0.111 4.229 4.340 -0.001 0.000 0.212 266 L C 2.740 179.528 176.870 -0.136 0.000 1.103 266 L CA 1.270 55.966 54.840 -0.241 0.000 0.769 266 L CB -0.474 41.371 42.059 -0.356 0.000 0.908 266 L HN 0.367 nan 8.230 nan 0.000 0.438 267 Q N -0.457 119.285 119.800 -0.098 0.000 2.163 267 Q HA -0.197 4.142 4.340 -0.001 0.000 0.198 267 Q C 1.953 177.924 176.000 -0.048 0.000 0.954 267 Q CA 0.904 56.671 55.803 -0.060 0.000 0.851 267 Q CB -0.035 28.674 28.738 -0.047 0.000 0.928 267 Q HN 0.480 nan 8.270 nan 0.000 0.459 268 E N 2.077 122.246 120.200 -0.052 0.000 2.114 268 E HA -0.232 4.117 4.350 -0.001 0.000 0.199 268 E C 1.317 177.896 176.600 -0.035 0.000 1.008 268 E CA 1.456 57.833 56.400 -0.040 0.000 0.810 268 E CB 0.078 29.753 29.700 -0.042 0.000 0.739 268 E HN 0.295 nan 8.360 nan 0.000 0.456 269 R N -0.653 119.820 120.500 -0.045 0.000 2.609 269 R HA 0.287 4.627 4.340 -0.001 0.000 0.326 269 R C 0.724 177.008 176.300 -0.026 0.000 1.090 269 R CA 0.275 56.355 56.100 -0.033 0.000 1.072 269 R CB -0.033 30.246 30.300 -0.036 0.000 1.330 269 R HN 0.116 nan 8.270 nan 0.000 0.572 270 G N 1.452 110.236 108.800 -0.027 0.000 2.385 270 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.284 270 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.284 270 G C 0.469 175.368 174.900 -0.002 0.000 0.899 270 G CA 0.467 45.558 45.100 -0.015 0.000 1.204 270 G HN 0.747 nan 8.290 nan 0.000 0.486 271 A N -0.776 122.035 122.820 -0.016 0.000 2.466 271 A HA 0.613 4.932 4.320 -0.001 0.000 0.238 271 A C 0.521 178.153 177.584 0.079 0.000 1.074 271 A CA 0.567 52.623 52.037 0.031 0.000 0.774 271 A CB 0.885 19.861 19.000 -0.040 0.000 1.015 271 A HN 1.331 nan 8.150 nan 0.000 0.498 272 V N 1.684 121.672 119.914 0.122 0.000 2.789 272 V HA 0.447 4.567 4.120 -0.001 0.000 0.311 272 V C -0.556 175.598 176.094 0.100 0.000 1.073 272 V CA -0.599 61.758 62.300 0.094 0.000 0.921 272 V CB 1.992 33.848 31.823 0.056 0.000 1.009 272 V HN 0.648 nan 8.190 nan 0.000 0.426 273 V N 3.055 123.002 119.914 0.056 0.000 2.334 273 V HA 0.395 4.515 4.120 -0.001 0.000 0.281 273 V C -0.052 176.017 176.094 -0.042 0.000 1.016 273 V CA -0.512 61.773 62.300 -0.024 0.000 0.832 273 V CB 1.260 33.058 31.823 -0.042 0.000 0.999 273 V HN 0.906 nan 8.190 nan 0.000 0.439 274 E N 2.990 123.151 120.200 -0.066 0.000 2.146 274 E HA 0.194 4.543 4.350 -0.001 0.000 0.282 274 E C -0.248 176.298 176.600 -0.089 0.000 0.989 274 E CA -0.418 55.950 56.400 -0.053 0.000 0.799 274 E CB 1.162 30.843 29.700 -0.032 0.000 1.088 274 E HN 0.864 nan 8.360 nan 0.000 0.397 275 D N 2.801 123.167 120.400 -0.057 0.000 2.396 275 D HA -0.072 4.568 4.640 -0.001 0.000 0.255 275 D C -0.432 175.835 176.300 -0.055 0.000 1.224 275 D CA 0.094 54.057 54.000 -0.062 0.000 0.894 275 D CB -0.115 40.666 40.800 -0.031 0.000 0.939 275 D HN 0.083 nan 8.370 nan 0.000 0.506 276 K N 0.982 121.337 120.400 -0.074 0.000 2.310 276 K HA 0.309 4.628 4.320 -0.001 0.000 0.290 276 K C -0.003 176.465 176.600 -0.220 0.000 1.077 276 K CA -0.344 55.930 56.287 -0.021 0.000 0.922 276 K CB 1.343 33.927 32.500 0.141 0.000 1.057 276 K HN 0.200 nan 8.250 nan 0.000 0.479 277 I N 4.276 124.816 120.570 -0.049 0.000 2.353 277 I HA 0.305 4.474 4.170 -0.001 0.000 0.293 277 I C -0.049 176.210 176.117 0.237 0.000 0.992 277 I CA -0.645 60.608 61.300 -0.077 0.000 1.268 277 I CB 0.640 38.634 38.000 -0.010 0.000 1.387 277 I HN 0.392 nan 8.210 nan 0.000 0.478 278 F N 3.397 123.352 119.950 0.009 0.000 2.450 278 F HA 0.217 4.744 4.527 -0.001 0.000 0.332 278 F C 0.861 176.674 175.800 0.021 0.000 1.093 278 F CA -1.000 57.007 58.000 0.012 0.000 1.003 278 F CB 1.673 40.679 39.000 0.009 0.000 1.151 278 F HN 0.496 nan 8.300 nan 0.000 0.474 279 D N 3.269 123.797 120.400 0.213 0.000 2.845 279 D HA 0.063 4.702 4.640 -0.001 0.000 0.235 279 D C 0.098 176.469 176.300 0.119 0.000 1.158 279 D CA -0.007 54.070 54.000 0.129 0.000 0.990 279 D CB 0.435 41.283 40.800 0.081 0.000 1.094 279 D HN 0.187 nan 8.370 nan 0.000 0.486 280 V N 2.517 122.525 119.914 0.157 0.000 1.907 280 V HA -0.056 4.063 4.120 -0.001 0.000 0.245 280 V C 1.507 177.703 176.094 0.170 0.000 1.731 280 V CA 0.328 62.711 62.300 0.139 0.000 1.661 280 V CB -0.498 31.431 31.823 0.178 0.000 1.567 280 V HN 0.283 nan 8.190 nan 0.000 0.502 281 S N 0.508 116.280 115.700 0.121 0.000 2.460 281 S HA -0.022 4.448 4.470 -0.001 0.000 0.226 281 S C 1.909 176.572 174.600 0.105 0.000 1.057 281 S CA -0.045 58.240 58.200 0.142 0.000 0.948 281 S CB -0.017 63.236 63.200 0.088 0.000 0.822 281 S HN 0.659 nan 8.310 nan 0.000 0.512 282 E N 1.780 122.001 120.200 0.035 0.000 2.333 282 E HA -0.065 4.284 4.350 -0.001 0.000 0.198 282 E C 1.649 178.215 176.600 -0.056 0.000 1.007 282 E CA 0.528 56.928 56.400 -0.001 0.000 0.845 282 E CB -0.093 29.597 29.700 -0.017 0.000 0.766 282 E HN 0.285 nan 8.360 nan 0.000 0.507 283 V N 0.182 120.016 119.914 -0.133 0.000 2.913 283 V HA -0.159 3.960 4.120 -0.001 0.000 0.260 283 V C 1.042 176.809 176.094 -0.544 0.000 1.098 283 V CA 1.065 63.148 62.300 -0.361 0.000 1.121 283 V CB -0.573 30.940 31.823 -0.517 0.000 0.714 283 V HN 0.142 nan 8.190 nan 0.000 0.487 284 F N -0.620 119.319 119.950 -0.019 0.000 2.764 284 F HA 0.586 5.112 4.527 -0.001 0.000 0.310 284 F C 1.767 177.555 175.800 -0.020 0.000 1.124 284 F CA -0.046 57.938 58.000 -0.025 0.000 1.252 284 F CB -0.450 38.524 39.000 -0.043 0.000 1.010 284 F HN -0.003 nan 8.300 nan 0.000 0.518 285 A N -0.240 122.634 122.820 0.090 0.000 1.896 285 A HA -0.236 4.084 4.320 -0.001 0.000 0.220 285 A C 0.551 178.173 177.584 0.063 0.000 1.206 285 A CA 2.054 54.126 52.037 0.059 0.000 0.647 285 A CB -0.614 18.399 19.000 0.021 0.000 0.828 285 A HN 0.281 nan 8.150 nan 0.000 0.455 286 D N -0.961 119.473 120.400 0.058 0.000 2.460 286 D HA 0.437 5.077 4.640 -0.001 0.000 0.268 286 D C -0.172 176.178 176.300 0.083 0.000 1.153 286 D CA 0.048 54.080 54.000 0.053 0.000 0.929 286 D CB 0.968 41.786 40.800 0.030 0.000 1.015 286 D HN 0.217 nan 8.370 nan 0.000 0.502 287 T N -0.157 114.464 114.554 0.112 0.000 2.923 287 T HA 0.294 4.644 4.350 -0.001 0.000 0.281 287 T C 0.504 175.251 174.700 0.079 0.000 0.995 287 T CA -0.512 61.675 62.100 0.145 0.000 0.985 287 T CB 1.050 70.035 68.868 0.195 0.000 1.114 287 T HN 0.168 nan 8.240 nan 0.000 0.548 288 E N 0.737 120.983 120.200 0.077 0.000 2.569 288 E HA 0.259 4.608 4.350 -0.001 0.000 0.205 288 E C -0.680 175.940 176.600 0.034 0.000 1.006 288 E CA -0.179 56.251 56.400 0.049 0.000 0.985 288 E CB 0.825 30.556 29.700 0.052 0.000 1.060 288 E HN 0.226 nan 8.360 nan 0.000 0.460 289 S N 0.812 116.521 115.700 0.015 0.000 2.707 289 S HA 0.197 4.667 4.470 -0.001 0.000 0.312 289 S C 0.560 175.149 174.600 -0.018 0.000 1.116 289 S CA -0.661 57.541 58.200 0.004 0.000 1.078 289 S CB 1.606 64.808 63.200 0.004 0.000 0.997 289 S HN 0.103 nan 8.310 nan 0.000 0.477 290 R N 3.091 123.592 120.500 0.000 0.000 2.113 290 R HA -0.136 4.204 4.340 -0.001 0.000 0.244 290 R C 1.384 177.679 176.300 -0.008 0.000 1.142 290 R CA 1.944 58.042 56.100 -0.004 0.000 0.953 290 R CB -0.992 29.310 30.300 0.003 0.000 0.860 290 R HN 0.704 nan 8.270 nan 0.000 0.438 291 I N 0.429 121.012 120.570 0.023 0.000 2.121 291 I HA -0.359 3.811 4.170 -0.001 0.000 0.243 291 I C 2.175 178.271 176.117 -0.035 0.000 1.047 291 I CA 1.972 63.303 61.300 0.053 0.000 1.308 291 I CB -0.488 37.637 38.000 0.209 0.000 1.015 291 I HN 0.234 nan 8.210 nan 0.000 0.410 292 I N -0.539 119.942 120.570 -0.148 0.000 2.296 292 I HA -0.149 4.020 4.170 -0.001 0.000 0.242 292 I C 2.647 178.677 176.117 -0.145 0.000 1.087 292 I CA 1.211 62.361 61.300 -0.250 0.000 1.393 292 I CB -1.015 36.669 38.000 -0.528 0.000 1.093 292 I HN 0.277 nan 8.210 nan 0.000 0.421 293 S N 1.699 117.338 115.700 -0.102 0.000 2.392 293 S HA -0.231 4.238 4.470 -0.001 0.000 0.232 293 S C 1.972 176.552 174.600 -0.034 0.000 1.041 293 S CA 1.808 59.983 58.200 -0.042 0.000 1.026 293 S CB -1.027 62.162 63.200 -0.019 0.000 0.845 293 S HN 0.627 nan 8.310 nan 0.000 0.465 294 S N 1.081 116.757 115.700 -0.039 0.000 2.575 294 S HA 0.620 5.089 4.470 -0.001 0.000 0.215 294 S C 0.605 175.175 174.600 -0.050 0.000 0.966 294 S CA -0.123 58.057 58.200 -0.034 0.000 0.911 294 S CB -0.310 62.875 63.200 -0.025 0.000 0.780 294 S HN 0.799 nan 8.310 nan 0.000 0.514 295 A N 1.932 124.715 122.820 -0.062 0.000 2.363 295 A HA 0.409 4.729 4.320 -0.001 0.000 0.270 295 A C 1.276 178.823 177.584 -0.063 0.000 1.121 295 A CA -0.479 51.513 52.037 -0.076 0.000 0.800 295 A CB 0.290 19.243 19.000 -0.079 0.000 1.052 295 A HN 0.267 nan 8.150 nan 0.000 0.493 296 E N 1.647 121.799 120.200 -0.079 0.000 1.987 296 E HA -0.156 4.194 4.350 -0.001 0.000 0.214 296 E C 1.171 177.759 176.600 -0.020 0.000 1.012 296 E CA 1.941 58.310 56.400 -0.051 0.000 0.881 296 E CB -0.285 29.376 29.700 -0.064 0.000 0.806 296 E HN 0.842 nan 8.360 nan 0.000 0.516 297 S N -1.069 114.629 115.700 -0.003 0.000 2.753 297 S HA 0.600 5.070 4.470 -0.001 0.000 0.302 297 S C -0.257 174.358 174.600 0.025 0.000 1.104 297 S CA -0.320 57.892 58.200 0.020 0.000 0.968 297 S CB 1.945 65.165 63.200 0.033 0.000 1.278 297 S HN 0.321 nan 8.310 nan 0.000 0.549 298 V N 0.869 120.811 119.914 0.046 0.000 2.775 298 V HA 0.533 4.653 4.120 -0.001 0.000 0.295 298 V C -1.866 174.274 176.094 0.078 0.000 1.226 298 V CA -0.671 61.655 62.300 0.044 0.000 0.934 298 V CB 0.933 32.764 31.823 0.013 0.000 1.056 298 V HN 0.964 nan 8.190 nan 0.000 0.436 299 L N 5.668 126.931 121.223 0.068 0.000 2.286 299 L HA 1.106 5.446 4.340 -0.001 0.000 0.265 299 L C 0.123 177.028 176.870 0.058 0.000 1.012 299 L CA -0.553 54.332 54.840 0.076 0.000 0.818 299 L CB 1.927 44.021 42.059 0.059 0.000 1.337 299 L HN 0.880 nan 8.230 nan 0.000 0.438 300 A N 0.490 123.334 122.820 0.040 0.000 2.606 300 A HA 0.882 5.202 4.320 -0.001 0.000 0.293 300 A C -1.429 176.048 177.584 -0.179 0.000 1.082 300 A CA -0.525 51.502 52.037 -0.016 0.000 0.685 300 A CB 2.026 21.058 19.000 0.054 0.000 1.284 300 A HN 0.362 nan 8.150 nan 0.000 0.408 301 V N 0.713 120.498 119.914 -0.215 0.000 2.925 301 V HA 0.609 4.729 4.120 -0.001 0.000 0.311 301 V C -0.439 175.477 176.094 -0.296 0.000 1.104 301 V CA -0.901 61.182 62.300 -0.362 0.000 0.954 301 V CB 2.054 33.712 31.823 -0.274 0.000 1.022 301 V HN 1.095 nan 8.190 nan 0.000 0.427 302 K N 3.120 123.315 120.400 -0.342 0.000 2.164 302 K HA 0.848 5.167 4.320 -0.001 0.000 0.258 302 K C -1.465 175.019 176.600 -0.193 0.000 0.951 302 K CA -0.694 55.476 56.287 -0.196 0.000 0.844 302 K CB 1.990 34.423 32.500 -0.111 0.000 1.099 302 K HN 0.587 nan 8.250 nan 0.000 0.435 303 L N 3.365 124.487 121.223 -0.169 0.000 2.353 303 L HA 0.428 4.768 4.340 -0.001 0.000 0.270 303 L C -0.073 176.846 176.870 0.082 0.000 1.003 303 L CA -0.912 53.794 54.840 -0.223 0.000 0.862 303 L CB 1.467 43.072 42.059 -0.757 0.000 1.221 303 L HN 0.669 nan 8.230 nan 0.000 0.430 304 R N 1.717 122.289 120.500 0.121 0.000 2.502 304 R HA 0.181 4.521 4.340 -0.001 0.000 0.292 304 R C 1.283 177.704 176.300 0.202 0.000 0.998 304 R CA 1.383 57.567 56.100 0.141 0.000 1.056 304 R CB 0.415 30.771 30.300 0.093 0.000 0.939 304 R HN 0.924 nan 8.270 nan 0.000 0.411 305 G N 3.374 112.252 108.800 0.131 0.000 2.220 305 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.269 305 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.269 305 G C 0.541 175.479 174.900 0.063 0.000 0.977 305 G CA 0.340 45.483 45.100 0.072 0.000 0.634 305 G HN 0.653 nan 8.290 nan 0.000 0.539 306 F N 1.893 121.831 119.950 -0.019 0.000 2.641 306 F HA 0.127 4.654 4.527 -0.001 0.000 0.298 306 F C 1.712 177.502 175.800 -0.017 0.000 1.146 306 F CA 0.470 58.453 58.000 -0.029 0.000 1.464 306 F CB 0.091 39.064 39.000 -0.045 0.000 1.101 306 F HN 0.282 nan 8.300 nan 0.000 0.585 307 D N 0.002 120.490 120.400 0.146 0.000 2.506 307 D HA 0.012 4.652 4.640 -0.001 0.000 0.234 307 D C 1.440 177.776 176.300 0.061 0.000 1.143 307 D CA 1.378 55.437 54.000 0.099 0.000 0.871 307 D CB 0.821 41.665 40.800 0.073 0.000 1.190 307 D HN 0.455 nan 8.370 nan 0.000 0.459 308 G N 2.784 111.625 108.800 0.068 0.000 2.189 308 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.267 308 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.267 308 G C 1.029 175.949 174.900 0.033 0.000 0.975 308 G CA 0.791 45.919 45.100 0.047 0.000 0.644 308 G HN 0.539 nan 8.290 nan 0.000 0.537 309 L N -0.389 120.853 121.223 0.031 0.000 2.672 309 L HA 0.438 4.778 4.340 -0.001 0.000 0.236 309 L C 2.481 179.362 176.870 0.019 0.000 1.092 309 L CA 0.012 54.850 54.840 -0.003 0.000 0.887 309 L CB 0.025 42.032 42.059 -0.087 0.000 1.168 309 L HN 0.237 nan 8.230 nan 0.000 0.502 310 I N 0.156 120.755 120.570 0.048 0.000 2.761 310 I HA -0.043 4.127 4.170 -0.001 0.000 0.261 310 I C 2.033 178.126 176.117 -0.040 0.000 1.198 310 I CA 1.214 62.479 61.300 -0.057 0.000 1.482 310 I CB -0.308 37.566 38.000 -0.209 0.000 1.100 310 I HN 0.267 nan 8.210 nan 0.000 0.445 311 G N 0.686 109.545 108.800 0.098 0.000 3.126 311 G HA2 0.204 4.163 3.960 -0.001 0.000 0.224 311 G HA3 0.204 4.163 3.960 -0.001 0.000 0.224 311 G C 0.579 175.527 174.900 0.080 0.000 1.142 311 G CA -0.053 45.143 45.100 0.160 0.000 0.759 311 G HN 0.066 nan 8.290 nan 0.000 0.550 312 V N 1.186 121.127 119.914 0.045 0.000 2.585 312 V HA 0.084 4.204 4.120 -0.001 0.000 0.296 312 V C 0.554 176.663 176.094 0.025 0.000 1.035 312 V CA -0.529 61.788 62.300 0.028 0.000 1.084 312 V CB 1.330 33.158 31.823 0.009 0.000 0.953 312 V HN 0.411 nan 8.190 nan 0.000 0.483 313 E N 4.182 124.398 120.200 0.027 0.000 2.081 313 E HA 0.072 4.421 4.350 -0.001 0.000 0.270 313 E C 1.120 177.732 176.600 0.020 0.000 1.180 313 E CA -0.216 56.200 56.400 0.026 0.000 0.926 313 E CB 0.395 30.111 29.700 0.027 0.000 1.035 313 E HN 0.760 nan 8.360 nan 0.000 0.418 314 I N 1.282 121.864 120.570 0.019 0.000 2.876 314 I HA 0.070 4.239 4.170 -0.001 0.000 0.264 314 I C 0.696 176.828 176.117 0.025 0.000 1.204 314 I CA 0.280 61.590 61.300 0.017 0.000 1.485 314 I CB 0.144 38.151 38.000 0.013 0.000 1.103 314 I HN 0.356 nan 8.210 nan 0.000 0.446 315 Q N 1.193 121.011 119.800 0.029 0.000 2.315 315 Q HA 0.426 4.766 4.340 -0.001 0.000 0.273 315 Q C -2.688 173.331 176.000 0.033 0.000 1.053 315 Q CA -2.195 53.629 55.803 0.034 0.000 0.817 315 Q CB 2.608 31.369 28.738 0.039 0.000 1.326 315 Q HN -0.120 nan 8.270 nan 0.000 0.423 316 P HA -0.101 nan 4.420 nan 0.000 0.212 316 P C 0.200 177.518 177.300 0.029 0.000 0.974 316 P CA 2.165 65.283 63.100 0.030 0.000 1.226 316 P CB -0.319 31.399 31.700 0.031 0.000 1.258 317 G N 2.448 111.265 108.800 0.029 0.000 2.391 317 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.204 317 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.204 317 G C 0.207 175.127 174.900 0.033 0.000 1.012 317 G CA -0.598 44.519 45.100 0.029 0.000 0.651 317 G HN 0.479 nan 8.290 nan 0.000 0.494 318 R N 0.528 121.049 120.500 0.035 0.000 2.668 318 R HA 0.812 5.152 4.340 -0.001 0.000 0.279 318 R C 0.205 176.527 176.300 0.036 0.000 0.976 318 R CA -0.712 55.410 56.100 0.038 0.000 0.978 318 R CB 1.354 31.678 30.300 0.040 0.000 1.133 318 R HN 0.320 nan 8.270 nan 0.000 0.484 319 R N 0.666 121.188 120.500 0.037 0.000 2.923 319 R HA 0.256 4.596 4.340 -0.001 0.000 0.252 319 R C 0.750 177.055 176.300 0.007 0.000 1.130 319 R CA -0.950 55.168 56.100 0.029 0.000 1.043 319 R CB 0.506 30.836 30.300 0.050 0.000 1.205 319 R HN 0.318 nan 8.270 nan 0.000 0.495 320 L N 1.344 122.559 121.223 -0.013 0.000 2.012 320 L HA -0.051 4.289 4.340 -0.001 0.000 0.210 320 L C 1.920 178.745 176.870 -0.077 0.000 1.073 320 L CA 2.554 57.371 54.840 -0.038 0.000 0.748 320 L CB -1.075 40.962 42.059 -0.036 0.000 0.891 320 L HN 0.914 nan 8.230 nan 0.000 0.431 321 G N -1.756 106.966 108.800 -0.131 0.000 2.475 321 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.220 321 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.220 321 G C 1.409 176.264 174.900 -0.074 0.000 1.125 321 G CA 1.369 46.326 45.100 -0.238 0.000 0.755 321 G HN 0.484 nan 8.290 nan 0.000 0.565 322 T N 0.922 115.472 114.554 -0.007 0.000 2.746 322 T HA -0.058 4.291 4.350 -0.001 0.000 0.267 322 T C 2.220 176.936 174.700 0.027 0.000 1.039 322 T CA 1.346 63.460 62.100 0.024 0.000 1.142 322 T CB -0.109 68.782 68.868 0.038 0.000 0.866 322 T HN 0.240 nan 8.240 nan 0.000 0.444 323 E N 1.387 121.593 120.200 0.011 0.000 2.038 323 E HA -0.075 4.275 4.350 -0.001 0.000 0.195 323 E C 2.271 178.880 176.600 0.015 0.000 1.000 323 E CA 1.130 57.545 56.400 0.025 0.000 0.803 323 E CB -0.487 29.195 29.700 -0.030 0.000 0.750 323 E HN 0.554 nan 8.360 nan 0.000 0.448 324 M N 0.490 120.050 119.600 -0.067 0.000 2.080 324 M HA -0.173 4.307 4.480 -0.001 0.000 0.260 324 M C 2.484 178.787 176.300 0.006 0.000 1.068 324 M CA 1.789 57.039 55.300 -0.083 0.000 1.109 324 M CB -0.544 31.968 32.600 -0.147 0.000 1.342 324 M HN 0.069 nan 8.290 nan 0.000 0.405 325 A N 0.518 123.340 122.820 0.003 0.000 1.908 325 A HA -0.209 4.111 4.320 -0.001 0.000 0.218 325 A C 1.746 179.367 177.584 0.061 0.000 1.181 325 A CA 2.187 54.238 52.037 0.024 0.000 0.627 325 A CB -0.741 18.269 19.000 0.017 0.000 0.818 325 A HN 0.439 nan 8.150 nan 0.000 0.445 326 D N -1.778 118.680 120.400 0.097 0.000 2.123 326 D HA -0.098 4.542 4.640 -0.001 0.000 0.200 326 D C 1.666 178.076 176.300 0.183 0.000 0.976 326 D CA 1.123 55.209 54.000 0.143 0.000 0.831 326 D CB -0.428 40.489 40.800 0.195 0.000 0.974 326 D HN 0.551 nan 8.370 nan 0.000 0.469 327 Y N 1.360 121.650 120.300 -0.017 0.000 2.224 327 Y HA -0.147 4.402 4.550 -0.001 0.000 0.289 327 Y C 2.417 178.315 175.900 -0.002 0.000 1.146 327 Y CA 1.362 59.431 58.100 -0.052 0.000 1.182 327 Y CB -0.270 38.074 38.460 -0.193 0.000 0.983 327 Y HN -0.054 nan 8.280 nan 0.000 0.524 328 A N -0.583 122.317 122.820 0.133 0.000 1.970 328 A HA -0.093 4.226 4.320 -0.001 0.000 0.216 328 A C 2.138 179.736 177.584 0.024 0.000 1.170 328 A CA 0.964 53.036 52.037 0.059 0.000 0.645 328 A CB -0.345 18.671 19.000 0.027 0.000 0.816 328 A HN 0.336 nan 8.150 nan 0.000 0.447 329 K N 0.481 120.900 120.400 0.032 0.000 2.152 329 K HA -0.103 4.217 4.320 -0.001 0.000 0.206 329 K C 0.451 177.047 176.600 -0.006 0.000 1.048 329 K CA 0.850 57.140 56.287 0.005 0.000 0.933 329 K CB -0.134 32.377 32.500 0.020 0.000 0.721 329 K HN 0.413 nan 8.250 nan 0.000 0.447 330 K N 0.597 121.004 120.400 0.011 0.000 2.344 330 K HA -0.055 4.265 4.320 -0.001 0.000 0.260 330 K C 0.554 177.145 176.600 -0.015 0.000 0.988 330 K CA 0.108 56.393 56.287 -0.004 0.000 0.909 330 K CB 0.371 32.871 32.500 0.000 0.000 0.968 330 K HN -0.064 nan 8.250 nan 0.000 0.505 331 R N -0.569 119.920 120.500 -0.018 0.000 3.954 331 R HA -0.175 4.165 4.340 -0.001 0.000 0.422 331 R C -0.257 176.012 176.300 -0.051 0.000 1.091 331 R CA 1.344 57.430 56.100 -0.023 0.000 1.168 331 R CB -2.123 28.168 30.300 -0.016 0.000 1.752 331 R HN 1.175 nan 8.270 nan 0.000 0.547 332 G N -1.874 106.891 108.800 -0.059 0.000 2.850 332 G HA2 0.236 4.195 3.960 -0.001 0.000 0.686 332 G HA3 0.236 4.195 3.960 -0.001 0.000 0.686 332 G C -0.477 174.277 174.900 -0.243 0.000 1.164 332 G CA -0.331 44.709 45.100 -0.100 0.000 0.826 332 G HN 1.297 nan 8.290 nan 0.000 0.586 333 V N 1.476 121.250 119.914 -0.234 0.000 2.444 333 V HA 0.313 4.432 4.120 -0.001 0.000 0.277 333 V C 1.364 177.428 176.094 -0.049 0.000 1.779 333 V CA 0.519 62.650 62.300 -0.281 0.000 0.781 333 V CB 0.654 32.336 31.823 -0.235 0.000 1.322 333 V HN 2.470 nan 8.190 nan 0.000 0.396 334 S N 2.598 118.325 115.700 0.045 0.000 2.374 334 S HA 0.388 4.858 4.470 -0.001 0.000 0.207 334 S C 0.757 175.371 174.600 0.023 0.000 1.042 334 S CA 0.849 59.087 58.200 0.064 0.000 1.034 334 S CB -0.043 63.228 63.200 0.119 0.000 1.018 334 S HN 2.450 nan 8.310 nan 0.000 0.419 335 G N 1.294 110.099 108.800 0.009 0.000 2.734 335 G HA2 0.544 4.504 3.960 -0.001 0.000 0.293 335 G HA3 0.544 4.504 3.960 -0.001 0.000 0.293 335 G C -0.420 174.401 174.900 -0.131 0.000 1.422 335 G CA -0.883 44.178 45.100 -0.064 0.000 1.177 335 G HN 0.850 nan 8.290 nan 0.000 0.565 336 I N -0.578 119.962 120.570 -0.049 0.000 2.872 336 I HA 0.507 4.677 4.170 -0.001 0.000 0.291 336 I C -0.901 175.154 176.117 -0.104 0.000 1.216 336 I CA -0.031 61.288 61.300 0.032 0.000 1.424 336 I CB 0.323 38.356 38.000 0.056 0.000 1.351 336 I HN 0.155 nan 8.210 nan 0.000 0.592 337 F N 4.686 124.573 119.950 -0.106 0.000 2.450 337 F HA 0.578 5.105 4.527 -0.001 0.000 0.332 337 F C 0.509 176.262 175.800 -0.078 0.000 1.093 337 F CA -0.289 57.571 58.000 -0.234 0.000 1.003 337 F CB 1.148 39.999 39.000 -0.248 0.000 1.151 337 F HN 0.612 nan 8.300 nan 0.000 0.474 338 H N -0.931 118.144 119.070 0.008 0.000 3.038 338 H HA 0.227 4.782 4.556 -0.001 0.000 0.362 338 H C 0.162 175.503 175.328 0.022 0.000 1.167 338 H CA -0.575 55.481 56.048 0.014 0.000 1.197 338 H CB 0.918 30.669 29.762 -0.018 0.000 1.840 338 H HN 0.528 nan 8.280 nan 0.000 0.540 339 T N 1.322 115.967 114.554 0.152 0.000 2.684 339 T HA -0.278 4.071 4.350 -0.001 0.000 0.259 339 T C 0.735 175.490 174.700 0.092 0.000 1.086 339 T CA 2.556 64.724 62.100 0.113 0.000 1.155 339 T CB -0.419 68.524 68.868 0.125 0.000 0.848 339 T HN 0.621 nan 8.240 nan 0.000 0.464 340 D N 0.650 121.166 120.400 0.193 0.000 2.363 340 D HA 0.045 4.685 4.640 -0.001 0.000 0.226 340 D C 1.566 177.873 176.300 0.012 0.000 1.020 340 D CA 0.579 54.662 54.000 0.138 0.000 0.892 340 D CB -0.002 40.931 40.800 0.222 0.000 0.900 340 D HN 0.612 nan 8.370 nan 0.000 0.531 341 E N -0.790 119.293 120.200 -0.195 0.000 2.712 341 E HA 0.098 4.448 4.350 -0.001 0.000 0.221 341 E C 1.018 177.508 176.600 -0.184 0.000 0.943 341 E CA -0.100 56.160 56.400 -0.232 0.000 1.259 341 E CB 0.840 30.283 29.700 -0.428 0.000 1.167 341 E HN 0.044 nan 8.360 nan 0.000 0.569 342 L N 1.698 122.838 121.223 -0.138 0.000 2.592 342 L HA 0.145 4.485 4.340 -0.001 0.000 0.227 342 L C -1.276 175.633 176.870 0.064 0.000 1.127 342 L CA 0.059 54.888 54.840 -0.018 0.000 0.884 342 L CB -0.587 41.484 42.059 0.021 0.000 1.065 342 L HN -0.000 nan 8.230 nan 0.000 0.457 343 P HA -0.065 nan 4.420 nan 0.000 0.222 343 P C 0.794 178.147 177.300 0.088 0.000 1.147 343 P CA 0.906 64.046 63.100 0.066 0.000 0.790 343 P CB 0.346 32.076 31.700 0.050 0.000 0.780 344 A N -2.008 120.877 122.820 0.108 0.000 3.888 344 A HA 0.467 4.787 4.320 -0.001 0.000 0.158 344 A C 0.075 177.809 177.584 0.250 0.000 1.485 344 A CA -0.227 51.894 52.037 0.140 0.000 1.261 344 A CB -0.975 18.097 19.000 0.120 0.000 1.670 344 A HN 0.010 nan 8.150 nan 0.000 0.661 345 Y N -1.115 119.213 120.300 0.046 0.000 4.409 345 Y HA -0.175 4.375 4.550 -0.001 0.000 0.228 345 Y C 1.147 177.104 175.900 0.095 0.000 1.108 345 Y CA 1.609 59.755 58.100 0.076 0.000 1.955 345 Y CB -1.197 37.345 38.460 0.137 0.000 1.615 345 Y HN 2.173 nan 8.280 nan 0.000 0.665 346 G N 0.515 109.394 108.800 0.132 0.000 2.212 346 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.255 346 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.255 346 G C -0.245 174.724 174.900 0.116 0.000 1.062 346 G CA 0.052 45.206 45.100 0.090 0.000 0.815 346 G HN 0.664 nan 8.290 nan 0.000 0.497 347 I N 0.763 121.416 120.570 0.138 0.000 2.571 347 I HA 0.393 4.563 4.170 -0.001 0.000 0.289 347 I C 0.588 176.775 176.117 0.117 0.000 1.115 347 I CA -0.686 60.699 61.300 0.141 0.000 1.045 347 I CB 2.187 40.294 38.000 0.178 0.000 1.238 347 I HN 0.217 nan 8.210 nan 0.000 0.424 348 T N 0.268 114.880 114.554 0.098 0.000 2.874 348 T HA 0.258 4.608 4.350 -0.001 0.000 0.281 348 T C 1.012 175.751 174.700 0.066 0.000 0.994 348 T CA -0.677 61.465 62.100 0.071 0.000 1.015 348 T CB 1.625 70.525 68.868 0.053 0.000 1.028 348 T HN 0.506 nan 8.240 nan 0.000 0.523 349 E N 1.126 121.356 120.200 0.050 0.000 2.097 349 E HA -0.206 4.143 4.350 -0.001 0.000 0.196 349 E C 1.908 178.525 176.600 0.029 0.000 1.000 349 E CA 1.593 58.018 56.400 0.041 0.000 0.804 349 E CB -0.348 29.371 29.700 0.032 0.000 0.740 349 E HN 0.831 nan 8.360 nan 0.000 0.454 350 E N 0.460 120.672 120.200 0.021 0.000 2.219 350 E HA -0.211 4.139 4.350 -0.001 0.000 0.198 350 E C 1.927 178.521 176.600 -0.011 0.000 0.998 350 E CA 1.128 57.530 56.400 0.004 0.000 0.818 350 E CB -0.040 29.662 29.700 0.003 0.000 0.741 350 E HN 0.438 nan 8.360 nan 0.000 0.477 351 E N -0.039 120.167 120.200 0.010 0.000 2.102 351 E HA -0.070 4.280 4.350 -0.001 0.000 0.190 351 E C 2.239 178.839 176.600 -0.000 0.000 0.971 351 E CA 0.518 56.912 56.400 -0.010 0.000 0.821 351 E CB 0.108 29.867 29.700 0.098 0.000 0.777 351 E HN 0.022 nan 8.360 nan 0.000 0.460 352 V N 2.697 122.642 119.914 0.052 0.000 2.332 352 V HA -0.303 3.817 4.120 -0.001 0.000 0.248 352 V C 2.565 178.675 176.094 0.028 0.000 1.055 352 V CA 2.405 64.741 62.300 0.061 0.000 1.038 352 V CB -0.676 31.185 31.823 0.064 0.000 0.651 352 V HN 0.317 nan 8.190 nan 0.000 0.450 353 R N 0.678 121.185 120.500 0.010 0.000 2.148 353 R HA -0.007 4.333 4.340 -0.001 0.000 0.223 353 R C 2.218 178.504 176.300 -0.024 0.000 1.088 353 R CA 1.572 57.672 56.100 0.001 0.000 0.985 353 R CB -0.878 29.422 30.300 -0.000 0.000 0.880 353 R HN 0.411 nan 8.270 nan 0.000 0.451 354 G N 1.474 110.239 108.800 -0.058 0.000 2.422 354 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.218 354 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.218 354 G C 1.419 176.251 174.900 -0.114 0.000 1.140 354 G CA 0.313 45.347 45.100 -0.111 0.000 0.775 354 G HN 0.207 nan 8.290 nan 0.000 0.545 355 L N -0.235 120.936 121.223 -0.087 0.000 2.023 355 L HA 0.015 4.354 4.340 -0.001 0.000 0.205 355 L C 3.181 180.068 176.870 0.029 0.000 1.073 355 L CA 0.716 55.541 54.840 -0.024 0.000 0.745 355 L CB -0.210 41.885 42.059 0.060 0.000 0.900 355 L HN 0.098 nan 8.230 nan 0.000 0.435 356 R N 0.022 120.542 120.500 0.033 0.000 2.119 356 R HA -0.238 4.101 4.340 -0.001 0.000 0.246 356 R C 1.815 178.141 176.300 0.044 0.000 1.146 356 R CA 1.816 57.943 56.100 0.046 0.000 0.962 356 R CB -1.085 29.238 30.300 0.038 0.000 0.863 356 R HN 0.481 nan 8.270 nan 0.000 0.442 357 D N 0.213 120.623 120.400 0.017 0.000 2.077 357 D HA -0.062 4.577 4.640 -0.001 0.000 0.196 357 D C 1.724 178.028 176.300 0.007 0.000 0.986 357 D CA 1.780 55.783 54.000 0.005 0.000 0.829 357 D CB -0.174 40.615 40.800 -0.017 0.000 0.983 357 D HN 0.146 nan 8.370 nan 0.000 0.453 358 A N 0.250 123.067 122.820 -0.005 0.000 1.978 358 A HA -0.125 4.194 4.320 -0.001 0.000 0.220 358 A C 2.408 180.018 177.584 0.043 0.000 1.170 358 A CA 1.654 53.684 52.037 -0.011 0.000 0.636 358 A CB -0.704 18.279 19.000 -0.028 0.000 0.810 358 A HN 0.264 nan 8.150 nan 0.000 0.448 359 V N -0.580 119.433 119.914 0.166 0.000 3.541 359 V HA 0.348 4.468 4.120 -0.001 0.000 0.267 359 V C 1.183 177.496 176.094 0.365 0.000 1.213 359 V CA 1.187 63.748 62.300 0.436 0.000 1.149 359 V CB -1.057 30.953 31.823 0.311 0.000 0.822 359 V HN 1.375 nan 8.190 nan 0.000 0.462 360 G N 1.129 110.019 108.800 0.151 0.000 2.415 360 G HA2 0.039 3.998 3.960 -0.001 0.000 0.283 360 G HA3 0.039 3.998 3.960 -0.001 0.000 0.283 360 G C -0.111 174.862 174.900 0.122 0.000 1.014 360 G CA 0.307 45.471 45.100 0.107 0.000 1.323 360 G HN 1.554 nan 8.290 nan 0.000 0.502 361 A N 1.190 124.064 122.820 0.089 0.000 2.356 361 A HA 0.914 5.233 4.320 -0.001 0.000 0.310 361 A C 0.557 178.174 177.584 0.054 0.000 1.075 361 A CA 0.346 52.427 52.037 0.074 0.000 0.746 361 A CB 1.402 20.444 19.000 0.070 0.000 1.221 361 A HN 1.161 nan 8.150 nan 0.000 0.443 362 S N 0.289 116.019 115.700 0.050 0.000 2.606 362 S HA 0.089 4.558 4.470 -0.001 0.000 0.257 362 S C 1.115 175.740 174.600 0.041 0.000 1.327 362 S CA -0.369 57.855 58.200 0.041 0.000 0.984 362 S CB 0.555 63.778 63.200 0.038 0.000 0.941 362 S HN 0.776 nan 8.310 nan 0.000 0.576 363 Q N -0.018 119.803 119.800 0.034 0.000 2.444 363 Q HA 0.029 4.369 4.340 -0.001 0.000 0.206 363 Q C 1.459 177.481 176.000 0.036 0.000 0.948 363 Q CA 0.232 56.056 55.803 0.034 0.000 0.946 363 Q CB -0.151 28.603 28.738 0.027 0.000 1.027 363 Q HN 0.871 nan 8.270 nan 0.000 0.513 364 G N 0.258 109.081 108.800 0.038 0.000 2.833 364 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.210 364 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.210 364 G C 0.114 175.046 174.900 0.054 0.000 1.139 364 G CA -0.050 45.073 45.100 0.038 0.000 0.771 364 G HN 0.333 nan 8.290 nan 0.000 0.535 365 D N 0.167 120.606 120.400 0.066 0.000 2.569 365 D HA 0.726 5.366 4.640 -0.001 0.000 0.266 365 D C -0.039 176.317 176.300 0.092 0.000 1.164 365 D CA -0.715 53.342 54.000 0.096 0.000 1.071 365 D CB 1.466 42.322 40.800 0.093 0.000 1.183 365 D HN 0.144 nan 8.370 nan 0.000 0.613 366 A N -0.823 122.059 122.820 0.103 0.000 2.532 366 A HA 0.697 5.017 4.320 -0.001 0.000 0.290 366 A C -1.136 176.468 177.584 0.032 0.000 1.143 366 A CA -0.751 51.335 52.037 0.083 0.000 0.728 366 A CB 1.516 20.587 19.000 0.118 0.000 1.317 366 A HN 0.443 nan 8.150 nan 0.000 0.414 367 V N -0.596 119.344 119.914 0.044 0.000 2.769 367 V HA 0.724 4.844 4.120 -0.001 0.000 0.312 367 V C -0.656 175.463 176.094 0.043 0.000 1.061 367 V CA -0.733 61.575 62.300 0.014 0.000 0.931 367 V CB 1.528 33.373 31.823 0.036 0.000 1.010 367 V HN 0.647 nan 8.190 nan 0.000 0.433 368 V N 5.134 125.045 119.914 -0.005 0.000 2.409 368 V HA 0.505 4.625 4.120 -0.001 0.000 0.290 368 V C -0.056 176.056 176.094 0.029 0.000 1.017 368 V CA -0.285 62.034 62.300 0.032 0.000 0.841 368 V CB 1.431 33.224 31.823 -0.050 0.000 1.003 368 V HN 0.999 nan 8.190 nan 0.000 0.426 369 M N 5.440 125.092 119.600 0.087 0.000 2.654 369 M HA 0.933 5.412 4.480 -0.001 0.000 0.310 369 M C -1.617 174.743 176.300 0.099 0.000 1.211 369 M CA -0.533 54.808 55.300 0.067 0.000 0.947 369 M CB 2.326 34.956 32.600 0.050 0.000 1.647 369 M HN 0.239 nan 8.290 nan 0.000 0.481 370 V N 2.260 122.208 119.914 0.057 0.000 2.488 370 V HA 0.615 4.735 4.120 -0.001 0.000 0.293 370 V C -0.347 175.775 176.094 0.047 0.000 1.027 370 V CA -0.796 61.556 62.300 0.087 0.000 0.862 370 V CB 1.228 33.088 31.823 0.063 0.000 1.008 370 V HN 0.985 nan 8.190 nan 0.000 0.428 371 A N 3.788 126.624 122.820 0.027 0.000 2.391 371 A HA 0.785 5.105 4.320 -0.001 0.000 0.316 371 A C -0.408 177.258 177.584 0.137 0.000 1.381 371 A CA 0.236 52.257 52.037 -0.027 0.000 0.998 371 A CB -0.183 18.687 19.000 -0.217 0.000 1.147 371 A HN 1.029 nan 8.150 nan 0.000 0.545 372 H N 0.483 119.550 119.070 -0.005 0.000 3.001 372 H HA 0.431 4.987 4.556 -0.001 0.000 0.266 372 H C -0.782 174.551 175.328 0.008 0.000 1.532 372 H CA -0.064 55.992 56.048 0.012 0.000 1.187 372 H CB 0.820 30.599 29.762 0.028 0.000 1.881 372 H HN 0.610 nan 8.280 nan 0.000 0.643 373 E N 0.718 120.930 120.200 0.021 0.000 2.259 373 E HA 0.183 4.533 4.350 -0.001 0.000 0.281 373 E C 0.966 177.630 176.600 0.106 0.000 1.037 373 E CA -0.583 55.838 56.400 0.034 0.000 0.854 373 E CB 1.457 31.155 29.700 -0.004 0.000 1.051 373 E HN 0.540 nan 8.360 nan 0.000 0.409 374 R N 3.595 124.133 120.500 0.065 0.000 2.189 374 R HA -0.279 4.061 4.340 -0.001 0.000 0.252 374 R C 1.323 177.660 176.300 0.062 0.000 1.134 374 R CA 2.496 58.632 56.100 0.061 0.000 0.954 374 R CB -1.399 28.927 30.300 0.043 0.000 0.890 374 R HN 0.602 nan 8.270 nan 0.000 0.443 375 V N -0.035 119.914 119.914 0.058 0.000 2.324 375 V HA -0.315 3.805 4.120 -0.001 0.000 0.250 375 V C 2.294 178.419 176.094 0.053 0.000 1.060 375 V CA 2.568 64.898 62.300 0.050 0.000 1.042 375 V CB -1.155 30.694 31.823 0.044 0.000 0.650 375 V HN 0.784 nan 8.190 nan 0.000 0.450 376 T N -1.702 112.900 114.554 0.079 0.000 2.983 376 T HA 0.145 4.494 4.350 -0.001 0.000 0.250 376 T C 2.005 176.721 174.700 0.027 0.000 1.037 376 T CA 0.868 62.999 62.100 0.052 0.000 1.142 376 T CB -0.394 68.510 68.868 0.059 0.000 0.876 376 T HN 0.444 nan 8.240 nan 0.000 0.455 377 A N 1.850 124.708 122.820 0.064 0.000 2.042 377 A HA -0.185 4.135 4.320 -0.001 0.000 0.222 377 A C 2.271 179.870 177.584 0.026 0.000 1.167 377 A CA 1.859 53.923 52.037 0.045 0.000 0.649 377 A CB -0.801 18.254 19.000 0.092 0.000 0.809 377 A HN 0.662 nan 8.150 nan 0.000 0.457 378 E N -0.471 119.748 120.200 0.031 0.000 2.072 378 E HA -0.125 4.224 4.350 -0.001 0.000 0.190 378 E C 1.705 178.312 176.600 0.011 0.000 0.982 378 E CA 0.871 57.284 56.400 0.022 0.000 0.803 378 E CB -0.128 29.589 29.700 0.029 0.000 0.755 378 E HN 0.626 nan 8.360 nan 0.000 0.453 379 N N 0.406 119.113 118.700 0.012 0.000 2.244 379 N HA -0.112 4.628 4.740 -0.001 0.000 0.183 379 N C 1.686 177.197 175.510 0.001 0.000 1.016 379 N CA 0.989 54.043 53.050 0.008 0.000 0.866 379 N CB 0.015 38.507 38.487 0.008 0.000 0.980 379 N HN 0.080 nan 8.380 nan 0.000 0.430 380 A N 1.395 124.209 122.820 -0.010 0.000 1.872 380 A HA 0.022 4.342 4.320 -0.001 0.000 0.214 380 A C 2.332 179.909 177.584 -0.011 0.000 1.187 380 A CA 0.634 52.661 52.037 -0.016 0.000 0.614 380 A CB -0.644 18.329 19.000 -0.044 0.000 0.826 380 A HN 0.145 nan 8.150 nan 0.000 0.442 381 L N -0.824 120.389 121.223 -0.016 0.000 2.201 381 L HA -0.145 4.195 4.340 -0.001 0.000 0.212 381 L C 2.767 179.611 176.870 -0.043 0.000 1.105 381 L CA 0.874 55.693 54.840 -0.035 0.000 0.775 381 L CB -0.359 41.676 42.059 -0.040 0.000 0.913 381 L HN 0.377 nan 8.230 nan 0.000 0.440 382 R N -0.433 120.053 120.500 -0.022 0.000 2.120 382 R HA -0.141 4.198 4.340 -0.001 0.000 0.234 382 R C 2.034 178.329 176.300 -0.009 0.000 1.123 382 R CA 0.895 56.984 56.100 -0.018 0.000 0.975 382 R CB -0.088 30.212 30.300 -0.000 0.000 0.866 382 R HN 0.381 nan 8.270 nan 0.000 0.446 383 E N 0.273 120.480 120.200 0.011 0.000 2.051 383 E HA -0.104 4.245 4.350 -0.001 0.000 0.189 383 E C 2.031 178.636 176.600 0.008 0.000 0.979 383 E CA 0.882 57.315 56.400 0.055 0.000 0.803 383 E CB -0.376 29.385 29.700 0.102 0.000 0.761 383 E HN 0.142 nan 8.360 nan 0.000 0.451 384 V N 0.955 120.848 119.914 -0.035 0.000 2.867 384 V HA -0.165 3.954 4.120 -0.001 0.000 0.260 384 V C 1.895 177.886 176.094 -0.171 0.000 1.099 384 V CA 1.095 63.332 62.300 -0.105 0.000 1.122 384 V CB -0.371 31.393 31.823 -0.099 0.000 0.708 384 V HN 0.153 nan 8.190 nan 0.000 0.490 385 I N -0.690 119.797 120.570 -0.138 0.000 2.400 385 I HA -0.046 4.124 4.170 -0.001 0.000 0.248 385 I C 2.798 178.836 176.117 -0.133 0.000 1.109 385 I CA 1.012 62.217 61.300 -0.159 0.000 1.425 385 I CB -0.417 37.512 38.000 -0.119 0.000 1.094 385 I HN 0.214 nan 8.210 nan 0.000 0.425 386 R N 0.868 121.315 120.500 -0.088 0.000 2.083 386 R HA -0.232 4.108 4.340 -0.001 0.000 0.237 386 R C 2.418 178.618 176.300 -0.167 0.000 1.137 386 R CA 1.771 57.831 56.100 -0.067 0.000 0.951 386 R CB -0.232 30.084 30.300 0.026 0.000 0.851 386 R HN 0.118 nan 8.270 nan 0.000 0.434 387 R N 0.422 120.730 120.500 -0.320 0.000 2.092 387 R HA -0.008 4.332 4.340 -0.001 0.000 0.231 387 R C 2.003 178.137 176.300 -0.277 0.000 1.119 387 R CA 1.709 57.484 56.100 -0.542 0.000 0.970 387 R CB -0.638 29.169 30.300 -0.822 0.000 0.864 387 R HN 0.281 nan 8.270 nan 0.000 0.440 388 A N 0.482 123.167 122.820 -0.225 0.000 1.883 388 A HA -0.233 4.086 4.320 -0.001 0.000 0.217 388 A C 2.084 179.693 177.584 0.042 0.000 1.186 388 A CA 1.970 53.906 52.037 -0.169 0.000 0.624 388 A CB -0.736 17.987 19.000 -0.462 0.000 0.822 388 A HN 0.468 nan 8.150 nan 0.000 0.444 389 E N 0.064 120.240 120.200 -0.039 0.000 2.110 389 E HA -0.166 4.183 4.350 -0.001 0.000 0.193 389 E C 1.919 178.524 176.600 0.008 0.000 0.988 389 E CA 1.835 58.242 56.400 0.011 0.000 0.804 389 E CB -0.448 29.241 29.700 -0.019 0.000 0.745 389 E HN 0.672 nan 8.360 nan 0.000 0.458 390 M N -0.393 119.178 119.600 -0.049 0.000 2.229 390 M HA -0.045 4.435 4.480 -0.001 0.000 0.264 390 M C 2.285 178.563 176.300 -0.037 0.000 1.063 390 M CA 1.393 56.657 55.300 -0.061 0.000 1.114 390 M CB -0.252 32.264 32.600 -0.140 0.000 1.387 390 M HN 0.207 nan 8.290 nan 0.000 0.420 391 A N 0.793 123.609 122.820 -0.006 0.000 2.019 391 A HA -0.112 4.208 4.320 -0.001 0.000 0.219 391 A C 2.059 179.622 177.584 -0.035 0.000 1.164 391 A CA 1.127 53.163 52.037 -0.002 0.000 0.644 391 A CB -0.664 18.386 19.000 0.084 0.000 0.805 391 A HN 0.382 nan 8.150 nan 0.000 0.449 392 I N -0.160 120.414 120.570 0.007 0.000 2.315 392 I HA -0.182 3.988 4.170 -0.001 0.000 0.248 392 I C 2.314 178.414 176.117 -0.028 0.000 1.117 392 I CA 1.219 62.504 61.300 -0.026 0.000 1.404 392 I CB -1.144 36.872 38.000 0.027 0.000 1.071 392 I HN 0.391 nan 8.210 nan 0.000 0.419 393 Q N 0.385 120.176 119.800 -0.015 0.000 2.163 393 Q HA 0.198 4.538 4.340 -0.001 0.000 0.198 393 Q C 1.386 177.376 176.000 -0.017 0.000 0.954 393 Q CA 1.042 56.837 55.803 -0.013 0.000 0.851 393 Q CB 0.003 28.739 28.738 -0.004 0.000 0.928 393 Q HN 0.542 nan 8.270 nan 0.000 0.459 394 G N -0.492 108.294 108.800 -0.024 0.000 2.225 394 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.203 394 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.203 394 G C -1.273 173.616 174.900 -0.017 0.000 1.335 394 G CA -0.417 44.670 45.100 -0.022 0.000 1.183 394 G HN -0.019 nan 8.290 nan 0.000 0.488 395 V N 4.041 123.953 119.914 -0.002 0.000 2.455 395 V HA 0.480 4.599 4.120 -0.001 0.000 0.273 395 V C -1.399 174.708 176.094 0.021 0.000 1.045 395 V CA -0.342 61.964 62.300 0.010 0.000 0.976 395 V CB 1.036 32.872 31.823 0.023 0.000 0.993 395 V HN 0.613 nan 8.190 nan 0.000 0.475 396 P HA 0.358 nan 4.420 nan 0.000 0.294 396 P C -0.583 176.773 177.300 0.092 0.000 1.294 396 P CA -0.718 62.413 63.100 0.052 0.000 0.827 396 P CB 1.218 32.939 31.700 0.036 0.000 0.992 397 E N 2.596 122.853 120.200 0.095 0.000 2.299 397 E HA 0.108 4.458 4.350 -0.001 0.000 0.272 397 E C 0.105 176.797 176.600 0.152 0.000 1.043 397 E CA 0.242 56.705 56.400 0.104 0.000 0.895 397 E CB 0.378 30.126 29.700 0.081 0.000 1.011 397 E HN 0.484 nan 8.360 nan 0.000 0.432 398 E N 1.402 121.701 120.200 0.164 0.000 2.445 398 E HA 0.399 4.749 4.350 -0.001 0.000 0.279 398 E C -1.120 175.549 176.600 0.115 0.000 1.018 398 E CA -1.015 55.515 56.400 0.218 0.000 0.816 398 E CB 1.272 31.250 29.700 0.462 0.000 1.356 398 E HN 0.086 nan 8.360 nan 0.000 0.462 399 T N 1.429 115.998 114.554 0.025 0.000 2.743 399 T HA 0.406 4.756 4.350 -0.001 0.000 0.292 399 T C -0.441 174.210 174.700 -0.082 0.000 0.972 399 T CA -0.510 61.567 62.100 -0.037 0.000 0.967 399 T CB 0.380 69.200 68.868 -0.080 0.000 0.926 399 T HN 0.261 nan 8.240 nan 0.000 0.459 400 R N 1.872 122.362 120.500 -0.017 0.000 2.923 400 R HA 0.717 5.057 4.340 -0.001 0.000 0.252 400 R C -0.262 176.026 176.300 -0.020 0.000 1.130 400 R CA -1.239 54.856 56.100 -0.008 0.000 1.043 400 R CB 1.607 31.943 30.300 0.061 0.000 1.205 400 R HN 0.540 nan 8.270 nan 0.000 0.495 401 K N -0.376 120.016 120.400 -0.013 0.000 2.340 401 K HA 0.734 5.054 4.320 -0.001 0.000 0.244 401 K C -1.184 175.417 176.600 0.003 0.000 0.973 401 K CA -0.930 55.349 56.287 -0.014 0.000 0.828 401 K CB 2.127 34.613 32.500 -0.025 0.000 1.226 401 K HN 0.549 nan 8.250 nan 0.000 0.437 402 A N 2.966 125.786 122.820 0.001 0.000 2.316 402 A HA 0.494 4.814 4.320 -0.001 0.000 0.284 402 A C -0.270 177.318 177.584 0.007 0.000 1.115 402 A CA -0.910 51.132 52.037 0.007 0.000 0.812 402 A CB 0.151 19.153 19.000 0.004 0.000 1.064 402 A HN 0.679 nan 8.150 nan 0.000 0.489 403 L N 1.788 123.018 121.223 0.012 0.000 2.578 403 L HA 0.336 4.675 4.340 -0.001 0.000 0.259 403 L C -1.308 175.568 176.870 0.010 0.000 1.082 403 L CA -1.887 52.960 54.840 0.012 0.000 0.843 403 L CB 0.521 42.590 42.059 0.018 0.000 1.535 403 L HN 0.460 nan 8.230 nan 0.000 0.510 404 P HA -0.123 nan 4.420 nan 0.000 0.215 404 P C -0.472 176.834 177.300 0.011 0.000 1.157 404 P CA 1.041 64.147 63.100 0.009 0.000 0.868 404 P CB -0.061 31.644 31.700 0.009 0.000 0.788 405 D N -1.411 118.997 120.400 0.014 0.000 2.348 405 D HA 0.187 4.827 4.640 -0.001 0.000 0.272 405 D C 1.738 178.049 176.300 0.017 0.000 1.237 405 D CA -0.052 53.958 54.000 0.016 0.000 1.042 405 D CB -0.985 39.826 40.800 0.019 0.000 1.117 405 D HN -0.037 nan 8.370 nan 0.000 0.548 406 G N -1.506 107.306 108.800 0.021 0.000 2.813 406 G HA2 -0.074 3.886 3.960 -0.001 0.000 0.209 406 G HA3 -0.074 3.886 3.960 -0.001 0.000 0.209 406 G C 0.411 175.325 174.900 0.025 0.000 1.150 406 G CA -0.142 44.971 45.100 0.022 0.000 0.785 406 G HN 0.247 nan 8.290 nan 0.000 0.535 407 N N 0.789 119.505 118.700 0.027 0.000 2.294 407 N HA 0.319 5.059 4.740 -0.001 0.000 0.248 407 N C 0.615 176.144 175.510 0.031 0.000 1.300 407 N CA 0.712 53.781 53.050 0.032 0.000 0.925 407 N CB 0.573 39.081 38.487 0.034 0.000 1.188 407 N HN 0.288 nan 8.380 nan 0.000 0.512 408 T N -3.466 111.112 114.554 0.040 0.000 2.804 408 T HA 0.570 4.919 4.350 -0.001 0.000 0.290 408 T C -1.007 173.727 174.700 0.056 0.000 1.099 408 T CA -0.912 61.212 62.100 0.041 0.000 1.011 408 T CB 2.210 71.104 68.868 0.044 0.000 1.291 408 T HN 0.574 nan 8.240 nan 0.000 0.523 409 Q N -0.140 119.697 119.800 0.061 0.000 2.391 409 Q HA 0.457 4.797 4.340 -0.001 0.000 0.279 409 Q C -1.893 174.175 176.000 0.113 0.000 1.028 409 Q CA -1.034 54.822 55.803 0.089 0.000 0.836 409 Q CB 1.918 30.693 28.738 0.061 0.000 1.414 409 Q HN 0.786 nan 8.270 nan 0.000 0.397 410 Y N 3.380 123.699 120.300 0.032 0.000 2.597 410 Y HA 0.105 4.655 4.550 -0.001 0.000 0.336 410 Y C -0.302 175.581 175.900 -0.029 0.000 1.216 410 Y CA 0.968 59.077 58.100 0.015 0.000 1.463 410 Y CB 0.536 39.023 38.460 0.045 0.000 1.303 410 Y HN 0.783 nan 8.280 nan 0.000 0.576 411 L N 4.342 125.085 121.223 -0.801 0.000 2.691 411 L HA 0.367 4.707 4.340 -0.001 0.000 0.185 411 L C -0.026 176.308 176.870 -0.894 0.000 1.081 411 L CA -0.102 54.375 54.840 -0.604 0.000 0.865 411 L CB 0.341 42.207 42.059 -0.321 0.000 1.370 411 L HN 0.651 nan 8.230 nan 0.000 0.488 412 R N -1.003 118.873 120.500 -1.039 0.000 2.752 412 R HA 0.434 4.773 4.340 -0.001 0.000 0.277 412 R C -3.126 172.967 176.300 -0.345 0.000 1.024 412 R CA -1.393 54.310 56.100 -0.661 0.000 0.866 412 R CB 0.677 30.802 30.300 -0.292 0.000 1.278 412 R HN -0.327 nan 8.270 nan 0.000 0.473 413 P HA -0.002 nan 4.420 nan 0.000 0.281 413 P C -0.646 176.677 177.300 0.039 0.000 1.274 413 P CA -0.418 62.733 63.100 0.085 0.000 0.794 413 P CB 0.275 32.028 31.700 0.088 0.000 1.201 414 L N 0.926 122.189 121.223 0.068 0.000 2.375 414 L HA 0.417 4.756 4.340 -0.001 0.000 0.271 414 L C -2.107 174.786 176.870 0.038 0.000 1.107 414 L CA -1.933 52.936 54.840 0.048 0.000 0.806 414 L CB -0.298 41.798 42.059 0.061 0.000 1.146 414 L HN 0.256 nan 8.230 nan 0.000 0.447 415 P HA 0.119 nan 4.420 nan 0.000 0.264 415 P C -0.787 176.537 177.300 0.040 0.000 1.193 415 P CA -0.044 63.075 63.100 0.032 0.000 0.763 415 P CB 0.239 31.957 31.700 0.030 0.000 0.810 416 T N 1.514 116.093 114.554 0.043 0.000 2.860 416 T HA 0.163 4.513 4.350 -0.001 0.000 0.299 416 T C 0.393 175.121 174.700 0.045 0.000 1.045 416 T CA -0.454 61.673 62.100 0.045 0.000 1.071 416 T CB 0.059 68.956 68.868 0.048 0.000 0.985 416 T HN 0.510 nan 8.240 nan 0.000 0.537 417 S N 1.852 117.577 115.700 0.043 0.000 2.563 417 S HA 0.016 4.486 4.470 -0.001 0.000 0.294 417 S C 0.320 174.948 174.600 0.046 0.000 1.279 417 S CA -0.728 57.497 58.200 0.042 0.000 1.069 417 S CB -0.003 63.220 63.200 0.038 0.000 0.828 417 S HN 0.533 nan 8.310 nan 0.000 0.497 418 S N 4.065 119.793 115.700 0.048 0.000 2.519 418 S HA 0.117 4.586 4.470 -0.001 0.000 0.320 418 S C 0.591 175.225 174.600 0.056 0.000 1.179 418 S CA -0.376 57.857 58.200 0.054 0.000 1.173 418 S CB -0.337 62.895 63.200 0.053 0.000 1.224 418 S HN 0.572 nan 8.310 nan 0.000 0.542 419 R N 3.406 123.945 120.500 0.065 0.000 2.442 419 R HA 0.413 4.752 4.340 -0.001 0.000 0.291 419 R C 0.247 176.607 176.300 0.099 0.000 1.069 419 R CA 0.319 56.462 56.100 0.073 0.000 1.022 419 R CB 0.331 30.675 30.300 0.074 0.000 0.976 419 R HN 0.619 nan 8.270 nan 0.000 0.443 420 M N 2.194 121.856 119.600 0.102 0.000 2.365 420 M HA 0.377 4.857 4.480 -0.001 0.000 0.287 420 M C -1.554 174.831 176.300 0.142 0.000 1.154 420 M CA -1.162 54.204 55.300 0.110 0.000 0.941 420 M CB 1.910 34.528 32.600 0.030 0.000 1.704 420 M HN 0.590 nan 8.290 nan 0.000 0.479 421 Y N 0.778 121.033 120.300 -0.075 0.000 2.659 421 Y HA 0.843 5.393 4.550 -0.001 0.000 0.333 421 Y C -1.151 174.670 175.900 -0.130 0.000 1.064 421 Y CA -1.639 56.408 58.100 -0.089 0.000 1.141 421 Y CB 0.987 39.398 38.460 -0.082 0.000 1.316 421 Y HN 0.677 nan 8.280 nan 0.000 0.509 422 L N 2.101 123.258 121.223 -0.110 0.000 2.499 422 L HA 0.077 4.417 4.340 -0.001 0.000 0.273 422 L C 0.127 176.742 176.870 -0.425 0.000 1.195 422 L CA 0.405 55.115 54.840 -0.216 0.000 0.882 422 L CB 0.076 42.100 42.059 -0.059 0.000 1.133 422 L HN 0.628 nan 8.230 nan 0.000 0.483 423 E N 1.517 121.470 120.200 -0.411 0.000 1.924 423 E HA 0.051 4.400 4.350 -0.001 0.000 0.261 423 E C 1.095 177.521 176.600 -0.289 0.000 1.088 423 E CA -0.014 56.114 56.400 -0.454 0.000 0.909 423 E CB 0.372 29.800 29.700 -0.453 0.000 1.112 423 E HN 0.641 nan 8.360 nan 0.000 0.425 424 T N 0.658 115.081 114.554 -0.218 0.000 2.929 424 T HA -0.167 4.183 4.350 -0.001 0.000 0.271 424 T C 0.994 175.618 174.700 -0.126 0.000 1.085 424 T CA 1.181 63.199 62.100 -0.136 0.000 1.125 424 T CB -0.093 68.728 68.868 -0.078 0.000 0.874 424 T HN 0.302 nan 8.240 nan 0.000 0.494 425 D N 1.551 121.865 120.400 -0.144 0.000 2.144 425 D HA 0.053 4.693 4.640 -0.001 0.000 0.199 425 D C 0.754 176.986 176.300 -0.113 0.000 0.984 425 D CA 0.792 54.725 54.000 -0.111 0.000 0.834 425 D CB -0.143 40.595 40.800 -0.103 0.000 0.955 425 D HN 0.501 nan 8.370 nan 0.000 0.465 426 I N 1.707 122.175 120.570 -0.172 0.000 2.353 426 I HA 0.199 4.369 4.170 -0.001 0.000 0.293 426 I C -2.082 173.986 176.117 -0.082 0.000 0.992 426 I CA -2.062 59.160 61.300 -0.129 0.000 1.268 426 I CB 1.410 39.250 38.000 -0.267 0.000 1.387 426 I HN -0.284 nan 8.210 nan 0.000 0.478 427 P HA 0.154 nan 4.420 nan 0.000 0.272 427 P C -0.724 176.562 177.300 -0.023 0.000 1.254 427 P CA -0.292 62.796 63.100 -0.020 0.000 0.795 427 P CB 0.428 32.144 31.700 0.026 0.000 1.022 428 L N 0.155 121.323 121.223 -0.091 0.000 2.399 428 L HA 0.429 4.768 4.340 -0.001 0.000 0.266 428 L C 0.041 176.976 176.870 0.109 0.000 1.114 428 L CA -0.421 54.338 54.840 -0.134 0.000 0.804 428 L CB 0.179 42.048 42.059 -0.317 0.000 1.146 428 L HN 0.284 nan 8.230 nan 0.000 0.451 429 F N 2.497 122.512 119.950 0.108 0.000 2.427 429 F HA 0.396 4.923 4.527 -0.001 0.000 0.348 429 F C 0.112 176.001 175.800 0.148 0.000 1.125 429 F CA -0.585 57.507 58.000 0.153 0.000 0.989 429 F CB 1.042 40.182 39.000 0.234 0.000 1.165 429 F HN 0.361 nan 8.300 nan 0.000 0.442 430 R N 7.147 127.585 120.500 -0.103 0.000 2.297 430 R HA 0.436 4.776 4.340 -0.001 0.000 0.308 430 R C -0.795 175.536 176.300 0.052 0.000 1.029 430 R CA -0.403 55.707 56.100 0.015 0.000 0.929 430 R CB 0.738 31.001 30.300 -0.061 0.000 1.046 430 R HN 0.767 nan 8.270 nan 0.000 0.461 431 I N 5.873 126.552 120.570 0.182 0.000 2.317 431 I HA 0.060 4.230 4.170 -0.001 0.000 0.286 431 I C 0.455 176.632 176.117 0.099 0.000 1.119 431 I CA -0.377 61.042 61.300 0.199 0.000 1.228 431 I CB 0.416 38.540 38.000 0.207 0.000 1.476 431 I HN 0.524 nan 8.210 nan 0.000 0.514 432 E N 3.832 124.065 120.200 0.055 0.000 2.606 432 E HA -0.092 4.258 4.350 -0.001 0.000 0.248 432 E C -0.098 176.525 176.600 0.038 0.000 1.005 432 E CA -0.280 56.138 56.400 0.030 0.000 0.946 432 E CB 0.591 30.295 29.700 0.006 0.000 0.928 432 E HN 0.425 nan 8.360 nan 0.000 0.494 433 D N 4.162 124.581 120.400 0.032 0.000 2.203 433 D HA -0.213 4.427 4.640 -0.001 0.000 0.199 433 D C 0.859 177.173 176.300 0.023 0.000 0.997 433 D CA 1.409 55.426 54.000 0.029 0.000 0.863 433 D CB -0.106 40.708 40.800 0.023 0.000 0.928 433 D HN 0.552 nan 8.370 nan 0.000 0.458 434 D N 0.301 120.712 120.400 0.018 0.000 2.104 434 D HA -0.099 4.541 4.640 -0.001 0.000 0.194 434 D C 2.176 178.486 176.300 0.017 0.000 0.994 434 D CA 0.642 54.651 54.000 0.014 0.000 0.830 434 D CB -0.197 40.609 40.800 0.009 0.000 0.959 434 D HN 0.237 nan 8.370 nan 0.000 0.452 435 L N -0.124 121.114 121.223 0.024 0.000 2.395 435 L HA 0.012 4.351 4.340 -0.001 0.000 0.218 435 L C 2.035 178.920 176.870 0.026 0.000 1.130 435 L CA 0.026 54.882 54.840 0.027 0.000 0.826 435 L CB -0.194 41.889 42.059 0.040 0.000 0.941 435 L HN 0.102 nan 8.230 nan 0.000 0.451 436 L N 0.189 121.429 121.223 0.029 0.000 2.141 436 L HA -0.116 4.224 4.340 -0.001 0.000 0.209 436 L C 2.529 179.408 176.870 0.015 0.000 1.094 436 L CA 1.740 56.595 54.840 0.025 0.000 0.763 436 L CB -0.498 41.580 42.059 0.031 0.000 0.908 436 L HN 0.162 nan 8.230 nan 0.000 0.437 437 E N -0.311 119.898 120.200 0.014 0.000 2.112 437 E HA -0.022 4.328 4.350 -0.001 0.000 0.190 437 E C 1.975 178.578 176.600 0.006 0.000 0.979 437 E CA 0.979 57.384 56.400 0.009 0.000 0.814 437 E CB -0.646 29.059 29.700 0.009 0.000 0.762 437 E HN 0.549 nan 8.360 nan 0.000 0.460 438 G N 0.629 109.433 108.800 0.007 0.000 2.843 438 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.205 438 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.205 438 G C 1.324 176.224 174.900 -0.000 0.000 1.160 438 G CA 0.362 45.464 45.100 0.003 0.000 0.819 438 G HN 0.174 nan 8.290 nan 0.000 0.516 439 I N -1.815 118.754 120.570 -0.001 0.000 3.669 439 I HA 0.137 4.306 4.170 -0.001 0.000 0.255 439 I C 2.282 178.395 176.117 -0.007 0.000 1.144 439 I CA -0.265 61.031 61.300 -0.007 0.000 1.447 439 I CB -0.065 37.929 38.000 -0.009 0.000 1.622 439 I HN 0.064 nan 8.210 nan 0.000 0.435 440 R N 2.009 122.507 120.500 -0.003 0.000 2.226 440 R HA -0.117 4.223 4.340 -0.001 0.000 0.246 440 R C 1.310 177.609 176.300 -0.002 0.000 1.161 440 R CA 1.572 57.671 56.100 -0.002 0.000 0.997 440 R CB -0.028 30.274 30.300 0.004 0.000 0.870 440 R HN 0.309 nan 8.270 nan 0.000 0.465 441 R N -0.503 119.997 120.500 -0.001 0.000 2.507 441 R HA 0.167 4.506 4.340 -0.001 0.000 0.298 441 R C -0.418 175.880 176.300 -0.003 0.000 0.999 441 R CA 0.036 56.135 56.100 -0.001 0.000 1.082 441 R CB 0.510 30.811 30.300 0.001 0.000 1.246 441 R HN 0.230 nan 8.270 nan 0.000 0.553 442 N N -0.099 118.598 118.700 -0.006 0.000 2.453 442 N HA 0.122 4.862 4.740 -0.001 0.000 0.267 442 N C -0.869 174.634 175.510 -0.012 0.000 1.482 442 N CA -0.242 52.804 53.050 -0.008 0.000 0.841 442 N CB 0.702 39.184 38.487 -0.008 0.000 1.408 442 N HN -0.061 nan 8.380 nan 0.000 0.490 443 L N 0.878 122.093 121.223 -0.013 0.000 2.483 443 L HA 0.272 4.611 4.340 -0.001 0.000 0.275 443 L C -1.596 175.264 176.870 -0.018 0.000 1.220 443 L CA -1.070 53.759 54.840 -0.019 0.000 0.833 443 L CB -0.147 41.900 42.059 -0.020 0.000 1.102 443 L HN -0.073 nan 8.230 nan 0.000 0.490 444 P HA 0.096 nan 4.420 nan 0.000 0.274 444 P C -0.951 176.338 177.300 -0.019 0.000 1.237 444 P CA -0.573 62.514 63.100 -0.021 0.000 0.793 444 P CB 0.477 32.160 31.700 -0.027 0.000 0.977 445 E N 2.227 122.420 120.200 -0.012 0.000 2.343 445 E HA 0.247 4.597 4.350 -0.001 0.000 0.269 445 E C -0.335 176.256 176.600 -0.015 0.000 1.047 445 E CA -0.667 55.728 56.400 -0.008 0.000 0.874 445 E CB 0.467 30.169 29.700 0.003 0.000 1.033 445 E HN 0.248 nan 8.360 nan 0.000 0.409 446 L N 2.653 123.866 121.223 -0.017 0.000 2.468 446 L HA 0.067 4.407 4.340 -0.001 0.000 0.253 446 L C -1.492 175.368 176.870 -0.017 0.000 1.237 446 L CA -1.506 53.317 54.840 -0.027 0.000 0.823 446 L CB -0.186 41.856 42.059 -0.028 0.000 1.124 446 L HN 0.455 nan 8.230 nan 0.000 0.504 447 P HA -0.111 nan 4.420 nan 0.000 0.215 447 P C 1.640 178.944 177.300 0.007 0.000 1.157 447 P CA 1.222 64.314 63.100 -0.012 0.000 0.868 447 P CB 0.209 31.895 31.700 -0.023 0.000 0.788 448 S N -0.083 115.626 115.700 0.015 0.000 2.372 448 S HA -0.267 4.203 4.470 -0.001 0.000 0.227 448 S C 1.809 176.425 174.600 0.026 0.000 1.044 448 S CA 1.638 59.855 58.200 0.030 0.000 1.050 448 S CB -1.097 62.128 63.200 0.041 0.000 0.901 448 S HN 0.365 nan 8.310 nan 0.000 0.447 449 E N 0.771 120.984 120.200 0.020 0.000 2.058 449 E HA -0.141 4.209 4.350 -0.001 0.000 0.194 449 E C 2.244 178.863 176.600 0.031 0.000 0.997 449 E CA 0.776 57.189 56.400 0.023 0.000 0.801 449 E CB -0.064 29.645 29.700 0.015 0.000 0.746 449 E HN 0.218 nan 8.360 nan 0.000 0.450 450 K N 1.164 121.580 120.400 0.028 0.000 2.044 450 K HA -0.201 4.119 4.320 -0.001 0.000 0.210 450 K C 2.059 178.691 176.600 0.052 0.000 1.049 450 K CA 1.142 57.452 56.287 0.040 0.000 0.927 450 K CB -0.343 32.171 32.500 0.024 0.000 0.713 450 K HN 0.057 nan 8.250 nan 0.000 0.443 451 K N 1.367 121.789 120.400 0.037 0.000 2.009 451 K HA -0.194 4.125 4.320 -0.001 0.000 0.210 451 K C 1.860 178.491 176.600 0.052 0.000 1.049 451 K CA 1.806 58.115 56.287 0.036 0.000 0.929 451 K CB -0.000 32.514 32.500 0.024 0.000 0.714 451 K HN 0.205 nan 8.250 nan 0.000 0.440 452 E N 0.214 120.442 120.200 0.047 0.000 2.047 452 E HA -0.207 4.142 4.350 -0.001 0.000 0.191 452 E C 2.337 178.975 176.600 0.063 0.000 0.987 452 E CA 0.819 57.247 56.400 0.048 0.000 0.799 452 E CB -0.219 29.502 29.700 0.035 0.000 0.752 452 E HN 0.301 nan 8.360 nan 0.000 0.449 453 R N 1.297 121.836 120.500 0.066 0.000 2.094 453 R HA -0.178 4.162 4.340 -0.001 0.000 0.239 453 R C 2.375 178.758 176.300 0.139 0.000 1.137 453 R CA 1.452 57.598 56.100 0.075 0.000 0.943 453 R CB -0.460 29.883 30.300 0.072 0.000 0.850 453 R HN 0.231 nan 8.270 nan 0.000 0.433 454 I N 0.475 121.169 120.570 0.206 0.000 2.361 454 I HA -0.304 3.866 4.170 -0.001 0.000 0.251 454 I C 2.155 178.505 176.117 0.389 0.000 1.133 454 I CA 1.214 62.751 61.300 0.396 0.000 1.413 454 I CB 0.073 38.226 38.000 0.255 0.000 1.073 454 I HN 0.381 nan 8.210 nan 0.000 0.424 455 M N -0.231 119.483 119.600 0.189 0.000 2.062 455 M HA -0.214 4.266 4.480 -0.001 0.000 0.259 455 M C 2.429 178.800 176.300 0.120 0.000 1.076 455 M CA 1.636 57.018 55.300 0.136 0.000 1.122 455 M CB -0.667 31.977 32.600 0.073 0.000 1.312 455 M HN 0.108 nan 8.290 nan 0.000 0.412 456 R N 0.575 121.119 120.500 0.073 0.000 2.185 456 R HA -0.192 4.148 4.340 -0.001 0.000 0.247 456 R C -0.083 176.205 176.300 -0.020 0.000 1.159 456 R CA 1.640 57.756 56.100 0.027 0.000 0.988 456 R CB -0.286 30.024 30.300 0.017 0.000 0.871 456 R HN 0.449 nan 8.270 nan 0.000 0.458 457 D N -1.673 118.693 120.400 -0.056 0.000 2.538 457 D HA 0.073 4.712 4.640 -0.001 0.000 0.231 457 D C -0.296 175.638 176.300 -0.610 0.000 1.229 457 D CA 0.022 53.837 54.000 -0.309 0.000 0.828 457 D CB 0.402 40.948 40.800 -0.423 0.000 1.035 457 D HN 0.301 nan 8.370 nan 0.000 0.495 458 Y N -0.925 119.430 120.300 0.092 0.000 2.861 458 Y HA 0.221 4.771 4.550 -0.000 0.000 0.284 458 Y C 1.675 177.644 175.900 0.115 0.000 1.006 458 Y CA -0.160 58.028 58.100 0.147 0.000 1.245 458 Y CB 1.011 39.668 38.460 0.328 0.000 1.415 458 Y HN 0.049 nan 8.280 nan 0.000 0.586 459 G N 1.448 110.358 108.800 0.182 0.000 2.175 459 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.265 459 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.265 459 G C 0.168 175.129 174.900 0.102 0.000 0.979 459 G CA 0.344 45.513 45.100 0.115 0.000 0.663 459 G HN 0.262 nan 8.290 nan 0.000 0.533 460 L N 1.774 123.070 121.223 0.122 0.000 2.453 460 L HA 0.313 4.652 4.340 -0.001 0.000 0.272 460 L C 1.599 178.483 176.870 0.023 0.000 1.182 460 L CA 0.381 55.236 54.840 0.027 0.000 0.858 460 L CB 0.616 42.642 42.059 -0.055 0.000 1.120 460 L HN 0.497 nan 8.230 nan 0.000 0.474 461 S N 1.443 117.147 115.700 0.008 0.000 2.589 461 S HA 0.001 4.470 4.470 -0.001 0.000 0.265 461 S C 0.966 175.573 174.600 0.010 0.000 1.342 461 S CA -0.589 57.622 58.200 0.019 0.000 1.005 461 S CB 1.455 64.672 63.200 0.028 0.000 0.909 461 S HN 0.697 nan 8.310 nan 0.000 0.555 462 E N 1.024 121.234 120.200 0.018 0.000 2.058 462 E HA -0.264 4.085 4.350 -0.001 0.000 0.194 462 E C 1.515 178.122 176.600 0.011 0.000 0.997 462 E CA 1.764 58.173 56.400 0.015 0.000 0.801 462 E CB -0.551 29.160 29.700 0.019 0.000 0.746 462 E HN 0.866 nan 8.360 nan 0.000 0.450 463 D N 0.555 120.970 120.400 0.026 0.000 2.087 463 D HA -0.189 4.451 4.640 -0.001 0.000 0.192 463 D C 2.424 178.742 176.300 0.030 0.000 0.993 463 D CA 1.142 55.170 54.000 0.047 0.000 0.828 463 D CB -0.404 40.443 40.800 0.080 0.000 0.968 463 D HN 0.238 nan 8.370 nan 0.000 0.448 464 L N 0.387 121.618 121.223 0.013 0.000 2.042 464 L HA -0.202 4.138 4.340 -0.001 0.000 0.210 464 L C 2.651 179.399 176.870 -0.203 0.000 1.076 464 L CA 1.513 56.268 54.840 -0.142 0.000 0.749 464 L CB -0.286 41.672 42.059 -0.169 0.000 0.893 464 L HN 0.069 nan 8.230 nan 0.000 0.432 465 A N -1.739 121.004 122.820 -0.129 0.000 1.930 465 A HA -0.207 4.112 4.320 -0.001 0.000 0.217 465 A C 2.446 179.984 177.584 -0.078 0.000 1.175 465 A CA 1.755 53.724 52.037 -0.115 0.000 0.627 465 A CB -0.630 18.344 19.000 -0.043 0.000 0.815 465 A HN 0.431 nan 8.150 nan 0.000 0.443 466 S N -0.700 114.973 115.700 -0.045 0.000 2.353 466 S HA -0.218 4.252 4.470 -0.001 0.000 0.222 466 S C 2.251 176.827 174.600 -0.039 0.000 1.035 466 S CA 1.703 59.890 58.200 -0.022 0.000 1.025 466 S CB -0.380 62.821 63.200 0.001 0.000 0.902 466 S HN 0.627 nan 8.310 nan 0.000 0.440 467 Q N 0.219 119.985 119.800 -0.056 0.000 2.061 467 Q HA -0.117 4.223 4.340 -0.001 0.000 0.204 467 Q C 2.256 178.189 176.000 -0.112 0.000 0.984 467 Q CA 1.108 56.868 55.803 -0.071 0.000 0.846 467 Q CB -0.822 27.864 28.738 -0.087 0.000 0.902 467 Q HN 0.472 nan 8.270 nan 0.000 0.421 468 L N 0.515 121.635 121.223 -0.172 0.000 2.129 468 L HA -0.150 4.190 4.340 -0.001 0.000 0.212 468 L C 2.206 179.017 176.870 -0.098 0.000 1.087 468 L CA 1.301 56.036 54.840 -0.175 0.000 0.757 468 L CB -0.501 41.404 42.059 -0.256 0.000 0.896 468 L HN -0.031 nan 8.230 nan 0.000 0.434 469 V N -0.911 118.960 119.914 -0.071 0.000 2.346 469 V HA -0.219 3.901 4.120 -0.001 0.000 0.244 469 V C 2.423 178.496 176.094 -0.035 0.000 1.037 469 V CA 1.527 63.803 62.300 -0.040 0.000 1.029 469 V CB -0.390 31.420 31.823 -0.023 0.000 0.663 469 V HN 0.428 nan 8.190 nan 0.000 0.454 470 K N 0.272 120.652 120.400 -0.033 0.000 2.113 470 K HA -0.189 4.131 4.320 -0.001 0.000 0.208 470 K C 1.931 178.514 176.600 -0.028 0.000 1.047 470 K CA 1.543 57.817 56.287 -0.023 0.000 0.928 470 K CB -0.228 32.264 32.500 -0.014 0.000 0.716 470 K HN 0.434 nan 8.250 nan 0.000 0.446 471 R N 0.479 120.955 120.500 -0.040 0.000 2.359 471 R HA 0.097 4.437 4.340 -0.001 0.000 0.231 471 R C -0.013 176.263 176.300 -0.041 0.000 0.913 471 R CA -0.156 55.920 56.100 -0.040 0.000 1.075 471 R CB 0.004 30.274 30.300 -0.051 0.000 1.087 471 R HN 0.157 nan 8.270 nan 0.000 0.515 472 N N 1.142 119.819 118.700 -0.039 0.000 2.727 472 N HA -0.157 4.582 4.740 -0.001 0.000 0.251 472 N C -0.243 175.247 175.510 -0.034 0.000 1.040 472 N CA 0.634 53.664 53.050 -0.034 0.000 0.712 472 N CB -0.828 37.640 38.487 -0.032 0.000 0.912 472 N HN 0.344 nan 8.380 nan 0.000 0.545 473 L N -1.210 119.990 121.223 -0.037 0.000 3.217 473 L HA 0.169 4.509 4.340 -0.001 0.000 0.288 473 L C 1.860 178.729 176.870 -0.001 0.000 1.202 473 L CA -0.227 54.596 54.840 -0.029 0.000 1.027 473 L CB 0.427 42.457 42.059 -0.049 0.000 1.427 473 L HN -0.059 nan 8.230 nan 0.000 0.600 474 V N 0.388 120.302 119.914 -0.001 0.000 2.453 474 V HA -0.295 3.824 4.120 -0.001 0.000 0.252 474 V C 1.861 177.979 176.094 0.041 0.000 1.068 474 V CA 2.230 64.555 62.300 0.042 0.000 1.070 474 V CB -0.393 31.447 31.823 0.027 0.000 0.664 474 V HN 0.437 nan 8.190 nan 0.000 0.461 475 D N -0.599 119.805 120.400 0.007 0.000 2.178 475 D HA -0.106 4.534 4.640 -0.001 0.000 0.202 475 D C 2.182 178.468 176.300 -0.023 0.000 0.974 475 D CA 0.891 54.884 54.000 -0.012 0.000 0.841 475 D CB -0.051 40.739 40.800 -0.016 0.000 0.953 475 D HN 0.494 nan 8.370 nan 0.000 0.478 476 E N -0.031 120.167 120.200 -0.004 0.000 2.014 476 E HA 0.065 4.414 4.350 -0.001 0.000 0.190 476 E C 0.734 177.332 176.600 -0.003 0.000 0.980 476 E CA -0.146 56.249 56.400 -0.007 0.000 0.807 476 E CB -0.404 29.296 29.700 0.001 0.000 0.770 476 E HN 0.186 nan 8.360 nan 0.000 0.451 487 T N -0.858 113.800 114.554 0.174 0.000 13.157 487 T HA -0.357 3.992 4.350 -0.001 0.000 0.419 487 T C 1.467 176.275 174.700 0.180 0.000 1.441 487 T CA 3.089 65.381 62.100 0.320 0.000 2.364 487 T CB -1.695 67.382 68.868 0.348 0.000 2.813 487 T HN 0.262 nan 8.240 nan 0.000 0.644 488 T N 1.685 116.295 114.554 0.093 0.000 2.969 488 T HA -0.016 4.334 4.350 -0.001 0.000 0.271 488 T C 1.753 176.449 174.700 -0.006 0.000 1.127 488 T CA 1.445 63.547 62.100 0.004 0.000 1.102 488 T CB -0.263 68.625 68.868 0.034 0.000 0.855 488 T HN 0.458 nan 8.240 nan 0.000 0.536 489 V N 0.896 120.831 119.914 0.034 0.000 2.436 489 V HA 0.027 4.147 4.120 -0.001 0.000 0.240 489 V C 2.362 178.468 176.094 0.020 0.000 1.040 489 V CA 0.548 62.868 62.300 0.032 0.000 1.052 489 V CB -0.233 31.619 31.823 0.047 0.000 0.707 489 V HN 0.376 nan 8.190 nan 0.000 0.469 490 I N 1.084 121.696 120.570 0.070 0.000 2.335 490 I HA -0.220 3.950 4.170 -0.001 0.000 0.251 490 I C 2.555 178.678 176.117 0.011 0.000 1.129 490 I CA 1.966 63.326 61.300 0.099 0.000 1.402 490 I CB -1.532 36.607 38.000 0.232 0.000 1.069 490 I HN 0.324 nan 8.210 nan 0.000 0.424 491 A N 1.309 124.022 122.820 -0.180 0.000 1.855 491 A HA -0.128 4.191 4.320 -0.001 0.000 0.213 491 A C 2.393 179.759 177.584 -0.364 0.000 1.195 491 A CA 1.582 53.335 52.037 -0.474 0.000 0.610 491 A CB -0.939 17.546 19.000 -0.858 0.000 0.837 491 A HN 0.503 nan 8.150 nan 0.000 0.444 492 S N -0.478 115.063 115.700 -0.265 0.000 2.571 492 S HA -0.096 4.374 4.470 -0.001 0.000 0.245 492 S C 1.384 175.957 174.600 -0.044 0.000 0.976 492 S CA 1.422 59.524 58.200 -0.163 0.000 0.954 492 S CB -0.348 62.928 63.200 0.126 0.000 0.756 492 S HN 0.486 nan 8.310 nan 0.000 0.535 493 L N -0.496 120.683 121.223 -0.073 0.000 2.556 493 L HA 0.508 4.847 4.340 -0.001 0.000 0.226 493 L C 1.521 178.363 176.870 -0.048 0.000 1.089 493 L CA 0.872 55.699 54.840 -0.022 0.000 0.864 493 L CB -0.049 42.008 42.059 -0.004 0.000 1.067 493 L HN 0.319 nan 8.230 nan 0.000 0.477 494 L N -1.333 119.824 121.223 -0.110 0.000 2.642 494 L HA 0.367 4.707 4.340 -0.001 0.000 0.233 494 L C 2.051 178.831 176.870 -0.149 0.000 1.077 494 L CA 0.700 55.479 54.840 -0.101 0.000 0.879 494 L CB -0.185 41.821 42.059 -0.088 0.000 1.151 494 L HN 0.197 nan 8.230 nan 0.000 0.495 495 A N -1.182 121.469 122.820 -0.283 0.000 2.115 495 A HA 0.057 4.377 4.320 -0.001 0.000 0.211 495 A C 1.527 178.957 177.584 -0.257 0.000 1.169 495 A CA 0.655 52.465 52.037 -0.377 0.000 0.787 495 A CB 0.040 18.637 19.000 -0.672 0.000 0.858 495 A HN 0.275 nan 8.150 nan 0.000 0.474 496 Y N -1.319 118.949 120.300 -0.052 0.000 2.740 496 Y HA 0.117 4.667 4.550 -0.001 0.000 0.257 496 Y C 2.688 178.570 175.900 -0.030 0.000 1.064 496 Y CA 0.742 58.818 58.100 -0.040 0.000 1.351 496 Y CB -0.893 37.543 38.460 -0.040 0.000 1.439 496 Y HN 0.106 nan 8.280 nan 0.000 0.488 497 T N 1.834 116.474 114.554 0.144 0.000 2.622 497 T HA -0.161 4.189 4.350 -0.001 0.000 0.266 497 T C 2.092 176.815 174.700 0.037 0.000 1.047 497 T CA 1.731 63.873 62.100 0.070 0.000 1.159 497 T CB -0.778 68.117 68.868 0.045 0.000 0.863 497 T HN 0.137 nan 8.240 nan 0.000 0.422 498 L N 0.705 121.937 121.223 0.015 0.000 2.263 498 L HA -0.143 4.197 4.340 -0.001 0.000 0.216 498 L C 2.680 179.552 176.870 0.003 0.000 1.111 498 L CA 1.302 56.141 54.840 -0.002 0.000 0.773 498 L CB -0.491 41.555 42.059 -0.022 0.000 0.906 498 L HN 0.233 nan 8.230 nan 0.000 0.439 499 R N 0.515 121.026 120.500 0.020 0.000 2.127 499 R HA -0.143 4.196 4.340 -0.001 0.000 0.217 499 R C 2.173 178.486 176.300 0.023 0.000 1.074 499 R CA 0.980 57.093 56.100 0.021 0.000 0.991 499 R CB -0.021 30.302 30.300 0.040 0.000 0.895 499 R HN 0.340 nan 8.270 nan 0.000 0.450 500 E N 0.447 120.664 120.200 0.029 0.000 2.274 500 E HA -0.127 4.223 4.350 -0.001 0.000 0.194 500 E C 1.487 178.097 176.600 0.016 0.000 0.996 500 E CA 0.661 57.074 56.400 0.021 0.000 0.840 500 E CB 0.081 29.795 29.700 0.023 0.000 0.772 500 E HN 0.443 nan 8.360 nan 0.000 0.491 501 L N 0.127 121.358 121.223 0.014 0.000 2.395 501 L HA 0.044 4.383 4.340 -0.001 0.000 0.218 501 L C 1.974 178.852 176.870 0.013 0.000 1.130 501 L CA 0.211 55.058 54.840 0.012 0.000 0.826 501 L CB 0.053 42.115 42.059 0.006 0.000 0.941 501 L HN -0.085 nan 8.230 nan 0.000 0.451 502 R N 0.302 120.808 120.500 0.011 0.000 2.541 502 R HA 0.058 4.398 4.340 -0.001 0.000 0.245 502 R C 1.059 177.369 176.300 0.018 0.000 1.154 502 R CA 0.369 56.477 56.100 0.013 0.000 1.179 502 R CB -0.237 30.067 30.300 0.007 0.000 1.189 502 R HN 0.210 nan 8.270 nan 0.000 0.526 503 R N -1.524 118.987 120.500 0.018 0.000 2.591 503 R HA 0.172 4.512 4.340 -0.001 0.000 0.288 503 R C -0.508 175.802 176.300 0.016 0.000 0.947 503 R CA 0.033 56.142 56.100 0.015 0.000 1.085 503 R CB 0.960 31.267 30.300 0.011 0.000 1.618 503 R HN 0.033 nan 8.270 nan 0.000 0.524 504 E N 0.200 120.412 120.200 0.019 0.000 3.554 504 E HA 0.390 4.740 4.350 -0.001 0.000 0.286 504 E C -0.541 176.076 176.600 0.028 0.000 1.173 504 E CA -0.291 56.121 56.400 0.020 0.000 1.117 504 E CB 1.762 31.471 29.700 0.014 0.000 1.323 504 E HN 0.334 nan 8.360 nan 0.000 0.394 505 G N 0.342 109.167 108.800 0.042 0.000 2.327 505 G HA2 0.141 4.101 3.960 -0.001 0.000 0.291 505 G HA3 0.141 4.101 3.960 -0.001 0.000 0.291 505 G C -1.645 173.326 174.900 0.119 0.000 1.290 505 G CA -0.930 44.208 45.100 0.063 0.000 0.857 505 G HN 0.190 nan 8.290 nan 0.000 0.520 506 H N 0.191 119.259 119.070 -0.003 0.000 2.779 506 H HA 0.273 4.829 4.556 -0.001 0.000 0.230 506 H C 1.458 176.783 175.328 -0.006 0.000 1.365 506 H CA 0.526 56.571 56.048 -0.005 0.000 1.086 506 H CB -0.077 29.681 29.762 -0.006 0.000 2.038 506 H HN 0.509 nan 8.280 nan 0.000 0.558 507 D N -0.145 120.191 120.400 -0.107 0.000 2.362 507 D HA -0.134 4.506 4.640 -0.001 0.000 0.215 507 D C 0.515 176.682 176.300 -0.222 0.000 0.978 507 D CA 0.523 54.446 54.000 -0.129 0.000 0.921 507 D CB -0.248 40.511 40.800 -0.069 0.000 0.895 507 D HN 0.276 nan 8.370 nan 0.000 0.494 508 V N 2.491 122.158 119.914 -0.411 0.000 2.670 508 V HA -0.043 4.076 4.120 -0.001 0.000 0.344 508 V C 1.509 177.378 176.094 -0.374 0.000 1.648 508 V CA 0.725 62.801 62.300 -0.373 0.000 1.673 508 V CB -0.666 30.931 31.823 -0.376 0.000 1.382 508 V HN 0.279 nan 8.190 nan 0.000 0.503 509 D N 1.307 121.566 120.400 -0.235 0.000 2.369 509 D HA 0.169 4.809 4.640 -0.001 0.000 0.231 509 D C 1.008 177.271 176.300 -0.063 0.000 0.967 509 D CA 1.134 55.064 54.000 -0.116 0.000 0.905 509 D CB 1.010 41.775 40.800 -0.059 0.000 1.044 509 D HN 0.465 nan 8.370 nan 0.000 0.487 510 G N 0.979 109.743 108.800 -0.060 0.000 2.374 510 G HA2 0.334 4.294 3.960 -0.001 0.000 0.298 510 G HA3 0.334 4.294 3.960 -0.001 0.000 0.298 510 G C -0.968 173.910 174.900 -0.037 0.000 2.674 510 G CA -0.775 44.300 45.100 -0.040 0.000 0.775 510 G HN 0.133 nan 8.290 nan 0.000 0.437 511 L N 2.160 123.359 121.223 -0.039 0.000 2.500 511 L HA 0.418 4.758 4.340 -0.001 0.000 0.272 511 L C 1.592 178.446 176.870 -0.026 0.000 1.149 511 L CA 1.345 56.165 54.840 -0.033 0.000 0.897 511 L CB 0.822 42.860 42.059 -0.035 0.000 1.178 511 L HN 1.195 nan 8.230 nan 0.000 0.473 512 G N 2.131 110.917 108.800 -0.022 0.000 2.194 512 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.236 512 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.236 512 G C 0.233 175.123 174.900 -0.017 0.000 0.987 512 G CA 0.315 45.403 45.100 -0.019 0.000 0.635 512 G HN 0.511 nan 8.290 nan 0.000 0.520 513 L N 1.164 122.376 121.223 -0.017 0.000 1.946 513 L HA 0.468 4.808 4.340 -0.001 0.000 0.213 513 L C 2.283 179.146 176.870 -0.011 0.000 1.149 513 L CA 2.628 57.460 54.840 -0.014 0.000 0.910 513 L CB -0.871 41.179 42.059 -0.015 0.000 0.939 513 L HN 0.107 nan 8.230 nan 0.000 0.501 514 D N -1.067 119.327 120.400 -0.010 0.000 2.182 514 D HA -0.197 4.443 4.640 -0.001 0.000 0.201 514 D C 1.916 178.212 176.300 -0.007 0.000 0.986 514 D CA 1.336 55.332 54.000 -0.007 0.000 0.847 514 D CB 0.058 40.855 40.800 -0.005 0.000 0.942 514 D HN 0.510 nan 8.370 nan 0.000 0.467 515 E N -0.284 119.910 120.200 -0.010 0.000 2.049 515 E HA -0.236 4.113 4.350 -0.001 0.000 0.198 515 E C 2.141 178.737 176.600 -0.007 0.000 1.007 515 E CA 0.824 57.219 56.400 -0.008 0.000 0.809 515 E CB -0.315 29.378 29.700 -0.012 0.000 0.749 515 E HN 0.291 nan 8.360 nan 0.000 0.450 516 L N 1.700 122.917 121.223 -0.010 0.000 1.951 516 L HA -0.292 4.047 4.340 -0.001 0.000 0.222 516 L C 2.615 179.481 176.870 -0.007 0.000 1.078 516 L CA 2.195 57.029 54.840 -0.010 0.000 0.778 516 L CB -0.534 41.519 42.059 -0.011 0.000 0.893 516 L HN 0.033 nan 8.230 nan 0.000 0.436 517 R N -0.163 120.334 120.500 -0.005 0.000 2.113 517 R HA -0.246 4.094 4.340 -0.001 0.000 0.231 517 R C 2.210 178.509 176.300 -0.001 0.000 1.129 517 R CA 2.420 58.518 56.100 -0.003 0.000 0.915 517 R CB -1.230 29.069 30.300 -0.002 0.000 0.837 517 R HN 0.783 nan 8.270 nan 0.000 0.430 518 D N 0.308 120.707 120.400 -0.001 0.000 2.133 518 D HA -0.201 4.439 4.640 -0.001 0.000 0.195 518 D C 1.684 177.986 176.300 0.003 0.000 0.997 518 D CA 1.749 55.750 54.000 0.002 0.000 0.840 518 D CB -0.311 40.490 40.800 0.002 0.000 0.947 518 D HN 0.420 nan 8.370 nan 0.000 0.452 519 A N 0.925 123.747 122.820 0.002 0.000 1.978 519 A HA -0.100 4.220 4.320 -0.001 0.000 0.220 519 A C 2.626 180.212 177.584 0.004 0.000 1.170 519 A CA 1.450 53.490 52.037 0.005 0.000 0.636 519 A CB -0.691 18.310 19.000 0.002 0.000 0.810 519 A HN 0.414 nan 8.150 nan 0.000 0.448 520 I N 0.301 120.872 120.570 0.001 0.000 2.163 520 I HA -0.228 3.942 4.170 -0.001 0.000 0.240 520 I C 1.750 177.868 176.117 0.003 0.000 1.081 520 I CA 1.600 62.901 61.300 0.001 0.000 1.353 520 I CB -0.440 37.559 38.000 -0.001 0.000 1.054 520 I HN 0.393 nan 8.210 nan 0.000 0.407 521 K N 2.324 122.725 120.400 0.003 0.000 3.120 521 K HA -0.023 4.296 4.320 -0.001 0.000 0.275 521 K C 1.024 177.628 176.600 0.006 0.000 0.914 521 K CA 0.681 56.971 56.287 0.004 0.000 1.125 521 K CB -0.267 32.235 32.500 0.004 0.000 1.053 521 K HN 0.453 nan 8.250 nan 0.000 0.450 522 L N -0.182 121.045 121.223 0.008 0.000 2.920 522 L HA 0.155 4.495 4.340 -0.001 0.000 0.257 522 L C 0.461 177.337 176.870 0.011 0.000 1.150 522 L CA -0.049 54.797 54.840 0.010 0.000 0.959 522 L CB 0.513 42.580 42.059 0.013 0.000 1.321 522 L HN 0.143 nan 8.230 nan 0.000 0.555 523 L N 0.354 121.582 121.223 0.008 0.000 2.585 523 L HA 0.244 4.584 4.340 -0.001 0.000 0.226 523 L C -0.492 176.382 176.870 0.007 0.000 1.113 523 L CA 0.581 55.426 54.840 0.008 0.000 0.876 523 L CB -0.046 42.017 42.059 0.006 0.000 1.072 523 L HN 0.205 nan 8.230 nan 0.000 0.468 524 E N -1.871 118.333 120.200 0.006 0.000 2.404 524 E HA 0.509 4.859 4.350 -0.001 0.000 0.298 524 E C -1.010 175.593 176.600 0.005 0.000 0.908 524 E CA -0.671 55.732 56.400 0.005 0.000 0.808 524 E CB 1.491 31.194 29.700 0.004 0.000 1.380 524 E HN -0.224 nan 8.360 nan 0.000 0.392 525 V N 1.523 121.440 119.914 0.006 0.000 3.814 525 V HA 0.130 4.250 4.120 -0.001 0.000 0.480 525 V C 0.521 176.619 176.094 0.006 0.000 0.682 525 V CA 1.198 63.501 62.300 0.006 0.000 1.959 525 V CB -0.974 30.852 31.823 0.005 0.000 2.372 525 V HN 1.346 nan 8.190 nan 0.000 0.501 526 G N 3.704 112.508 108.800 0.007 0.000 2.372 526 G HA2 0.109 4.068 3.960 -0.001 0.000 0.207 526 G HA3 0.109 4.068 3.960 -0.001 0.000 0.207 526 G C -0.792 174.114 174.900 0.009 0.000 1.473 526 G CA -0.286 44.819 45.100 0.008 0.000 1.183 526 G HN 0.925 nan 8.290 nan 0.000 0.607 527 K N 1.681 122.087 120.400 0.009 0.000 2.382 527 K HA 0.399 4.719 4.320 -0.001 0.000 0.275 527 K C 2.055 178.663 176.600 0.013 0.000 1.009 527 K CA -0.556 55.737 56.287 0.011 0.000 0.970 527 K CB 0.436 32.941 32.500 0.009 0.000 0.934 527 K HN 0.375 nan 8.250 nan 0.000 0.479 528 I N 1.804 122.383 120.570 0.015 0.000 2.181 528 I HA -0.511 3.659 4.170 -0.001 0.000 0.240 528 I C 1.935 178.063 176.117 0.018 0.000 1.006 528 I CA 2.183 63.494 61.300 0.019 0.000 1.284 528 I CB -0.592 37.421 38.000 0.021 0.000 0.990 528 I HN 0.728 nan 8.210 nan 0.000 0.408 529 S N 0.192 115.901 115.700 0.015 0.000 2.537 529 S HA -0.087 4.382 4.470 -0.001 0.000 0.240 529 S C 1.621 176.228 174.600 0.012 0.000 0.981 529 S CA 0.639 58.848 58.200 0.014 0.000 0.948 529 S CB -0.243 62.964 63.200 0.011 0.000 0.759 529 S HN 0.386 nan 8.310 nan 0.000 0.531 530 K N 1.832 122.239 120.400 0.011 0.000 2.167 530 K HA 0.017 4.337 4.320 -0.001 0.000 0.203 530 K C 1.413 178.019 176.600 0.010 0.000 1.052 530 K CA 0.737 57.030 56.287 0.010 0.000 0.956 530 K CB -0.600 31.906 32.500 0.009 0.000 0.735 530 K HN 0.427 nan 8.250 nan 0.000 0.451 531 D N 1.763 122.170 120.400 0.012 0.000 2.205 531 D HA -0.204 4.436 4.640 -0.001 0.000 0.190 531 D C 1.098 177.405 176.300 0.011 0.000 1.002 531 D CA 1.722 55.729 54.000 0.012 0.000 0.848 531 D CB -0.185 40.624 40.800 0.014 0.000 0.975 531 D HN 0.162 nan 8.370 nan 0.000 0.449 532 A N -0.135 122.694 122.820 0.014 0.000 2.004 532 A HA 0.086 4.406 4.320 -0.001 0.000 0.212 532 A C 1.439 179.029 177.584 0.011 0.000 1.442 532 A CA 0.655 52.700 52.037 0.014 0.000 1.450 532 A CB -0.824 18.186 19.000 0.017 0.000 0.749 532 A HN 0.353 nan 8.150 nan 0.000 0.591 533 L N -3.844 117.385 121.223 0.010 0.000 2.126 533 L HA 0.075 4.415 4.340 -0.001 0.000 0.236 533 L C 2.194 179.069 176.870 0.008 0.000 1.151 533 L CA -0.157 54.688 54.840 0.009 0.000 1.286 533 L CB -0.392 41.671 42.059 0.008 0.000 2.572 533 L HN 0.287 nan 8.230 nan 0.000 0.535 534 R N 1.571 122.076 120.500 0.008 0.000 2.109 534 R HA -0.192 4.147 4.340 -0.001 0.000 0.227 534 R C 1.887 178.191 176.300 0.006 0.000 1.132 534 R CA 2.373 58.477 56.100 0.007 0.000 0.907 534 R CB -0.573 29.731 30.300 0.006 0.000 0.825 534 R HN 0.509 nan 8.270 nan 0.000 0.432 535 D N 1.156 121.559 120.400 0.005 0.000 2.149 535 D HA -0.238 4.402 4.640 -0.001 0.000 0.194 535 D C 1.890 178.193 176.300 0.005 0.000 1.001 535 D CA 1.694 55.696 54.000 0.003 0.000 0.849 535 D CB -0.633 40.167 40.800 -0.000 0.000 0.939 535 D HN 0.356 nan 8.370 nan 0.000 0.449 536 I N 0.672 121.246 120.570 0.007 0.000 2.147 536 I HA -0.348 3.821 4.170 -0.001 0.000 0.245 536 I C 2.750 178.875 176.117 0.015 0.000 1.059 536 I CA 1.351 62.657 61.300 0.011 0.000 1.320 536 I CB -0.551 37.456 38.000 0.012 0.000 1.021 536 I HN -0.025 nan 8.210 nan 0.000 0.415 537 V N 1.008 120.929 119.914 0.013 0.000 2.317 537 V HA -0.307 3.813 4.120 -0.001 0.000 0.251 537 V C 1.699 177.803 176.094 0.017 0.000 1.065 537 V CA 1.709 64.017 62.300 0.014 0.000 1.049 537 V CB -1.278 30.551 31.823 0.010 0.000 0.651 537 V HN 0.531 nan 8.190 nan 0.000 0.450 538 A N 0.000 122.829 122.820 0.014 0.000 2.254 538 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 538 A CA 0.000 52.047 52.037 0.016 0.000 0.836 538 A CB 0.000 19.005 19.000 0.008 0.000 0.831 538 A HN 0.000 nan 8.150 nan 0.000 0.486