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 3c2w_1_E DATA FIRST_RESID 5 DATA SEQUENCE TPVTLANCED EPIHVPGAIQ PHGALVTLRA DGMVLAASEN IQALLGFVAS DATA SEQUENCE PGSYLTQEQV GPEVLRMLEE GLTGNGPWSN SVETRIGEHL FDVIGHSYKE DATA SEQUENCE VFYLEFEIRT AXXLSITSFT LNAQRIIAQV QLHNDTASLL SNVTDELRRM DATA SEQUENCE TGYDRVMAYR FRHDDSGEVV AESRREDLES YLGQRYPASD IPAQARRLYI DATA SEQUENCE QNPIRLIADV AYTPMRVFPA LNPETNESFD LSYSVLRSVS PIHCEYLTNM DATA SEQUENCE GVRASMSISI VVGGKLWGLF SCHHMSPKLI PYPVRMSFQI FSQVCSAIVE DATA SEQUENCE RLEQGRIAEL LRVSTERRLA LARRARDADD LFGALAHPDD GIAALIPCDG DATA SEQUENCE ALVMLGGRTL SIRGDFERQA GNVLQRLQRD PERDIYHTDN WXXXXXXXXX DATA SEQUENCE XXXCCGVLAI RFHRQESGWI FWFRHEEVHR IRWGGXXXXX XTIGPSGPRL DATA SEQUENCE TPRGSFEAWE EVVRGHSTPW SETDLAIAEK LRLDLMELCL N 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.701 174.700 0.002 0.000 1.109 5 T CA 0.000 62.100 62.100 0.000 0.000 1.349 5 T CB 0.000 68.869 68.868 0.001 0.000 0.612 6 P HA 0.375 nan 4.420 nan 0.000 0.269 6 P C -0.610 176.696 177.300 0.010 0.000 1.209 6 P CA -0.498 62.606 63.100 0.007 0.000 0.776 6 P CB 0.384 32.089 31.700 0.007 0.000 0.876 7 V N -0.192 119.729 119.914 0.013 0.000 2.259 7 V HA 0.503 4.624 4.120 0.001 0.000 0.267 7 V C 0.207 176.314 176.094 0.021 0.000 1.051 7 V CA -0.417 61.893 62.300 0.017 0.000 0.830 7 V CB -0.036 31.799 31.823 0.020 0.000 1.080 7 V HN 0.723 nan 8.190 nan 0.000 0.467 8 T N 1.340 115.905 114.554 0.019 0.000 2.844 8 T HA 0.546 4.897 4.350 0.001 0.000 0.274 8 T C 1.031 175.744 174.700 0.022 0.000 0.991 8 T CA -0.806 61.306 62.100 0.020 0.000 0.983 8 T CB 1.353 70.230 68.868 0.015 0.000 1.310 8 T HN 0.163 nan 8.240 nan 0.000 0.596 9 L N 0.416 121.652 121.223 0.022 0.000 2.042 9 L HA -0.036 4.305 4.340 0.001 0.000 0.210 9 L C 2.992 179.875 176.870 0.022 0.000 1.076 9 L CA 2.435 57.290 54.840 0.025 0.000 0.749 9 L CB -2.066 40.006 42.059 0.022 0.000 0.893 9 L HN 0.966 nan 8.230 nan 0.000 0.432 10 A N -0.610 122.221 122.820 0.017 0.000 2.168 10 A HA -0.135 4.185 4.320 0.001 0.000 0.215 10 A C 1.806 179.399 177.584 0.014 0.000 1.152 10 A CA 1.393 53.439 52.037 0.014 0.000 0.716 10 A CB -0.499 18.508 19.000 0.011 0.000 0.794 10 A HN 0.519 nan 8.150 nan 0.000 0.465 11 N N -1.321 117.389 118.700 0.016 0.000 2.294 11 N HA -0.016 4.725 4.740 0.001 0.000 0.186 11 N C 1.433 176.954 175.510 0.018 0.000 1.107 11 N CA 0.768 53.827 53.050 0.016 0.000 0.884 11 N CB -0.363 38.132 38.487 0.014 0.000 1.030 11 N HN 0.639 nan 8.380 nan 0.000 0.482 12 C N 1.119 120.433 119.300 0.023 0.000 2.409 12 C HA -0.029 4.431 4.460 0.001 0.000 0.284 12 C C 1.899 176.901 174.990 0.019 0.000 1.354 12 C CA 0.459 59.493 59.018 0.027 0.000 1.787 12 C CB -0.823 26.940 27.740 0.038 0.000 1.900 12 C HN 0.368 nan 8.230 nan 0.000 0.520 13 E N 1.197 121.407 120.200 0.016 0.000 2.028 13 E HA -0.145 4.206 4.350 0.001 0.000 0.191 13 E C 1.389 177.992 176.600 0.004 0.000 0.988 13 E CA 1.725 58.131 56.400 0.009 0.000 0.799 13 E CB -0.239 29.467 29.700 0.009 0.000 0.755 13 E HN 0.713 nan 8.360 nan 0.000 0.447 14 D N 0.554 120.960 120.400 0.010 0.000 2.360 14 D HA -0.044 4.597 4.640 0.001 0.000 0.210 14 D C 0.244 176.559 176.300 0.025 0.000 1.047 14 D CA 0.106 54.114 54.000 0.013 0.000 0.854 14 D CB -0.141 40.668 40.800 0.014 0.000 0.936 14 D HN 0.171 nan 8.370 nan 0.000 0.514 15 E N 2.801 123.014 120.200 0.021 0.000 2.752 15 E HA -0.036 4.314 4.350 0.001 0.000 0.241 15 E C -2.223 174.404 176.600 0.045 0.000 1.016 15 E CA -1.283 55.132 56.400 0.025 0.000 0.952 15 E CB 0.479 30.191 29.700 0.020 0.000 0.921 15 E HN -0.112 nan 8.360 nan 0.000 0.515 16 P HA -0.012 nan 4.420 nan 0.000 0.264 16 P C -0.372 176.961 177.300 0.055 0.000 1.236 16 P CA 0.243 63.414 63.100 0.119 0.000 0.811 16 P CB 0.190 31.878 31.700 -0.020 0.000 0.840 17 I N 1.646 122.298 120.570 0.138 0.000 3.928 17 I HA 0.040 4.211 4.170 0.001 0.000 0.335 17 I C 1.812 177.962 176.117 0.056 0.000 1.325 17 I CA 0.323 61.648 61.300 0.043 0.000 1.107 17 I CB -0.968 37.022 38.000 -0.017 0.000 1.014 17 I HN 0.406 nan 8.210 nan 0.000 0.400 18 H N 0.993 120.023 119.070 -0.066 0.000 2.604 18 H HA 0.309 4.866 4.556 0.001 0.000 0.273 18 H C 0.790 176.111 175.328 -0.011 0.000 0.971 18 H CA 0.739 56.748 56.048 -0.065 0.000 1.249 18 H CB -0.350 29.366 29.762 -0.077 0.000 1.449 18 H HN 0.229 nan 8.280 nan 0.000 0.512 19 V N 0.206 119.770 119.914 -0.584 0.000 2.225 19 V HA 0.389 4.509 4.120 0.001 0.000 0.264 19 V C -2.513 173.425 176.094 -0.262 0.000 1.067 19 V CA -1.534 60.519 62.300 -0.412 0.000 0.903 19 V CB 1.491 32.983 31.823 -0.551 0.000 1.136 19 V HN 0.002 nan 8.190 nan 0.000 0.456 20 P HA 0.319 nan 4.420 nan 0.000 0.259 20 P C 1.329 178.618 177.300 -0.018 0.000 1.233 20 P CA 1.011 64.084 63.100 -0.046 0.000 0.827 20 P CB 0.675 32.386 31.700 0.018 0.000 1.154 21 G N -0.349 108.468 108.800 0.028 0.000 2.175 21 G HA2 -0.111 3.850 3.960 0.001 0.000 0.265 21 G HA3 -0.111 3.850 3.960 0.001 0.000 0.265 21 G C 0.353 175.363 174.900 0.185 0.000 0.979 21 G CA 0.262 45.475 45.100 0.188 0.000 0.663 21 G HN 0.765 nan 8.290 nan 0.000 0.533 22 A N -0.916 121.982 122.820 0.129 0.000 2.532 22 A HA 1.005 5.325 4.320 0.001 0.000 0.290 22 A C -0.161 177.463 177.584 0.067 0.000 1.143 22 A CA -0.326 51.740 52.037 0.049 0.000 0.728 22 A CB 1.535 20.562 19.000 0.046 0.000 1.317 22 A HN 1.665 nan 8.150 nan 0.000 0.414 23 I N -3.160 117.449 120.570 0.064 0.000 3.354 23 I HA 0.557 4.728 4.170 0.001 0.000 0.316 23 I C -0.985 175.228 176.117 0.159 0.000 1.182 23 I CA -1.147 60.191 61.300 0.064 0.000 0.942 23 I CB 1.795 39.787 38.000 -0.013 0.000 1.299 23 I HN 0.615 nan 8.210 nan 0.000 0.473 24 Q N 1.117 120.953 119.800 0.060 0.000 2.241 24 Q HA 0.373 4.713 4.340 0.001 0.000 0.254 24 Q C -2.145 173.858 176.000 0.005 0.000 0.917 24 Q CA -1.672 54.187 55.803 0.093 0.000 0.919 24 Q CB 1.537 30.254 28.738 -0.035 0.000 1.237 24 Q HN 0.410 nan 8.270 nan 0.000 0.434 25 P HA -0.121 nan 4.420 nan 0.000 0.239 25 P C 0.231 177.576 177.300 0.075 0.000 1.184 25 P CA 0.977 64.136 63.100 0.100 0.000 0.760 25 P CB -0.075 31.715 31.700 0.151 0.000 0.884 26 H N -2.362 116.752 119.070 0.073 0.000 2.563 26 H HA 0.340 4.897 4.556 0.001 0.000 0.272 26 H C 0.839 176.210 175.328 0.071 0.000 1.005 26 H CA 0.233 56.312 56.048 0.051 0.000 1.171 26 H CB -0.368 29.409 29.762 0.026 0.000 1.351 26 H HN 0.044 nan 8.280 nan 0.000 0.602 27 G N -1.290 107.440 108.800 -0.116 0.000 2.606 27 G HA2 0.650 4.611 3.960 0.001 0.000 0.300 27 G HA3 0.650 4.611 3.960 0.001 0.000 0.300 27 G C -1.701 173.236 174.900 0.061 0.000 1.360 27 G CA -0.711 44.405 45.100 0.026 0.000 0.783 27 G HN 0.554 nan 8.290 nan 0.000 0.484 28 A N -1.026 121.905 122.820 0.186 0.000 2.423 28 A HA 0.872 5.193 4.320 0.001 0.000 0.304 28 A C -1.415 176.324 177.584 0.257 0.000 1.104 28 A CA -0.610 51.522 52.037 0.158 0.000 0.757 28 A CB 1.997 21.043 19.000 0.077 0.000 1.313 28 A HN 1.676 nan 8.150 nan 0.000 0.423 29 L N 1.150 122.462 121.223 0.148 0.000 2.354 29 L HA 0.858 5.198 4.340 0.001 0.000 0.269 29 L C -1.356 175.604 176.870 0.150 0.000 1.005 29 L CA -0.442 54.482 54.840 0.141 0.000 0.819 29 L CB 2.286 44.355 42.059 0.017 0.000 1.311 29 L HN 0.469 nan 8.230 nan 0.000 0.423 30 V N 2.317 122.345 119.914 0.190 0.000 2.567 30 V HA 0.457 4.578 4.120 0.001 0.000 0.298 30 V C -0.413 175.725 176.094 0.073 0.000 1.047 30 V CA -0.293 62.089 62.300 0.137 0.000 0.880 30 V CB 2.013 33.979 31.823 0.238 0.000 1.009 30 V HN 0.897 nan 8.190 nan 0.000 0.429 31 T N 3.700 118.246 114.554 -0.014 0.000 2.837 31 T HA 0.840 5.190 4.350 0.001 0.000 0.285 31 T C -0.820 173.808 174.700 -0.120 0.000 0.984 31 T CA -0.531 61.497 62.100 -0.120 0.000 1.049 31 T CB 1.443 70.191 68.868 -0.200 0.000 0.947 31 T HN 0.186 nan 8.240 nan 0.000 0.472 32 L N 2.384 123.519 121.223 -0.146 0.000 2.323 32 L HA 0.675 5.016 4.340 0.001 0.000 0.265 32 L C 0.566 177.363 176.870 -0.121 0.000 1.012 32 L CA -0.976 53.780 54.840 -0.140 0.000 0.820 32 L CB 2.130 44.095 42.059 -0.158 0.000 1.334 32 L HN 0.964 nan 8.230 nan 0.000 0.427 33 R N 0.869 121.280 120.500 -0.147 0.000 2.523 33 R HA 0.764 5.105 4.340 0.001 0.000 0.229 33 R C 0.891 177.090 176.300 -0.168 0.000 1.265 33 R CA 0.013 56.060 56.100 -0.089 0.000 1.081 33 R CB -0.021 30.238 30.300 -0.069 0.000 1.540 33 R HN 0.518 nan 8.270 nan 0.000 0.560 34 A N 0.128 122.888 122.820 -0.100 0.000 2.024 34 A HA -0.219 4.101 4.320 0.001 0.000 0.220 34 A C 1.174 178.586 177.584 -0.287 0.000 1.164 34 A CA 1.997 53.937 52.037 -0.161 0.000 0.643 34 A CB -0.922 18.052 19.000 -0.043 0.000 0.806 34 A HN 0.886 nan 8.150 nan 0.000 0.451 35 D N -4.255 116.006 120.400 -0.232 0.000 2.423 35 D HA 0.348 4.988 4.640 0.001 0.000 0.208 35 D C 1.087 177.214 176.300 -0.289 0.000 1.068 35 D CA 0.993 54.872 54.000 -0.201 0.000 0.860 35 D CB -0.149 40.620 40.800 -0.053 0.000 0.992 35 D HN 0.735 nan 8.370 nan 0.000 0.504 36 G N 0.108 108.662 108.800 -0.410 0.000 2.198 36 G HA2 -0.198 3.762 3.960 0.001 0.000 0.156 36 G HA3 -0.198 3.762 3.960 0.001 0.000 0.156 36 G C -0.064 174.397 174.900 -0.731 0.000 1.012 36 G CA -0.091 44.706 45.100 -0.505 0.000 0.692 36 G HN 0.348 nan 8.290 nan 0.000 0.492 37 M N 2.099 121.280 119.600 -0.697 0.000 2.200 37 M HA 0.538 5.019 4.480 0.001 0.000 0.355 37 M C 0.389 176.503 176.300 -0.309 0.000 1.283 37 M CA -0.317 54.585 55.300 -0.663 0.000 1.124 37 M CB 1.003 33.442 32.600 -0.268 0.000 1.625 37 M HN -0.058 nan 8.290 nan 0.000 0.463 38 V N 7.674 127.459 119.914 -0.214 0.000 2.425 38 V HA -0.058 4.063 4.120 0.001 0.000 0.276 38 V C 1.046 177.119 176.094 -0.036 0.000 1.017 38 V CA 0.391 62.640 62.300 -0.084 0.000 1.062 38 V CB 0.212 32.027 31.823 -0.013 0.000 0.997 38 V HN 0.959 nan 8.190 nan 0.000 0.476 39 L N 4.360 125.562 121.223 -0.035 0.000 2.249 39 L HA 0.416 4.757 4.340 0.001 0.000 0.207 39 L C 0.972 177.863 176.870 0.035 0.000 1.090 39 L CA 1.149 55.992 54.840 0.004 0.000 0.802 39 L CB 0.116 42.175 42.059 0.001 0.000 0.947 39 L HN 0.804 nan 8.230 nan 0.000 0.453 40 A N -1.228 121.600 122.820 0.014 0.000 2.511 40 A HA 0.830 5.151 4.320 0.001 0.000 0.293 40 A C -1.827 175.757 177.584 0.000 0.000 1.098 40 A CA 0.071 52.128 52.037 0.033 0.000 0.643 40 A CB 0.849 19.881 19.000 0.053 0.000 1.302 40 A HN 0.001 nan 8.150 nan 0.000 0.446 41 A N -0.319 122.506 122.820 0.009 0.000 2.597 41 A HA 0.774 5.094 4.320 0.001 0.000 0.292 41 A C -0.150 177.422 177.584 -0.020 0.000 1.057 41 A CA 0.248 52.279 52.037 -0.010 0.000 0.674 41 A CB 0.360 19.363 19.000 0.004 0.000 1.278 41 A HN 2.393 nan 8.150 nan 0.000 0.416 42 S N 0.327 116.000 115.700 -0.044 0.000 2.562 42 S HA 0.263 4.733 4.470 0.001 0.000 0.281 42 S C 0.764 175.382 174.600 0.030 0.000 1.333 42 S CA 0.392 58.559 58.200 -0.054 0.000 1.052 42 S CB 0.623 63.798 63.200 -0.042 0.000 0.884 42 S HN 0.933 nan 8.310 nan 0.000 0.506 43 E N 1.415 121.690 120.200 0.125 0.000 2.510 43 E HA -0.205 4.145 4.350 0.001 0.000 0.202 43 E C 0.851 177.501 176.600 0.083 0.000 1.072 43 E CA 0.924 57.451 56.400 0.212 0.000 0.883 43 E CB -0.522 29.431 29.700 0.421 0.000 0.818 43 E HN 0.813 nan 8.360 nan 0.000 0.548 44 N N 1.528 120.248 118.700 0.034 0.000 2.214 44 N HA -0.017 4.724 4.740 0.001 0.000 0.214 44 N C 1.295 176.769 175.510 -0.060 0.000 1.132 44 N CA -0.009 53.042 53.050 0.001 0.000 0.856 44 N CB -0.110 38.391 38.487 0.022 0.000 1.020 44 N HN 0.249 nan 8.380 nan 0.000 0.509 45 I N -1.809 118.695 120.570 -0.109 0.000 3.010 45 I HA -0.087 4.083 4.170 0.001 0.000 0.271 45 I C 1.792 177.698 176.117 -0.352 0.000 1.293 45 I CA 1.143 62.291 61.300 -0.253 0.000 1.452 45 I CB -0.618 37.204 38.000 -0.295 0.000 1.082 45 I HN 0.171 nan 8.210 nan 0.000 0.484 46 Q N 0.286 119.958 119.800 -0.214 0.000 2.217 46 Q HA 0.383 4.723 4.340 0.001 0.000 0.217 46 Q C 2.029 177.974 176.000 -0.092 0.000 0.844 46 Q CA 0.445 56.134 55.803 -0.189 0.000 0.957 46 Q CB 0.340 28.998 28.738 -0.133 0.000 1.127 46 Q HN 0.570 nan 8.270 nan 0.000 0.503 47 A N 0.640 123.423 122.820 -0.061 0.000 1.858 47 A HA -0.147 4.174 4.320 0.001 0.000 0.216 47 A C 1.616 179.213 177.584 0.022 0.000 1.190 47 A CA 1.353 53.386 52.037 -0.007 0.000 0.617 47 A CB -0.124 18.883 19.000 0.012 0.000 0.827 47 A HN 0.433 nan 8.150 nan 0.000 0.443 48 L N -1.945 119.299 121.223 0.034 0.000 2.902 48 L HA 0.423 4.763 4.340 0.001 0.000 0.254 48 L C -0.040 176.858 176.870 0.048 0.000 1.115 48 L CA 0.341 55.264 54.840 0.137 0.000 0.947 48 L CB 0.025 42.271 42.059 0.312 0.000 1.369 48 L HN 0.240 nan 8.230 nan 0.000 0.538 49 L N 0.991 122.107 121.223 -0.177 0.000 2.385 49 L HA 0.339 4.680 4.340 0.001 0.000 0.285 49 L C 1.723 178.428 176.870 -0.275 0.000 1.125 49 L CA 0.104 54.737 54.840 -0.345 0.000 0.890 49 L CB 0.371 41.984 42.059 -0.743 0.000 1.251 49 L HN 0.233 nan 8.230 nan 0.000 0.445 50 G N 3.541 112.321 108.800 -0.033 0.000 2.516 50 G HA2 -0.226 3.734 3.960 0.001 0.000 0.221 50 G HA3 -0.226 3.734 3.960 0.001 0.000 0.221 50 G C 0.545 175.469 174.900 0.040 0.000 1.107 50 G CA 0.301 45.413 45.100 0.021 0.000 0.747 50 G HN 0.575 nan 8.290 nan 0.000 0.567 51 F N -1.215 118.688 119.950 -0.078 0.000 2.403 51 F HA 0.746 5.273 4.527 0.001 0.000 0.326 51 F C -0.462 175.301 175.800 -0.061 0.000 1.099 51 F CA -1.757 56.205 58.000 -0.064 0.000 1.036 51 F CB 1.235 40.191 39.000 -0.072 0.000 1.336 51 F HN -0.214 nan 8.300 nan 0.000 0.497 52 V N 1.771 121.724 119.914 0.065 0.000 2.350 52 V HA 0.557 4.677 4.120 0.001 0.000 0.285 52 V C -0.001 176.141 176.094 0.080 0.000 1.014 52 V CA -0.971 61.307 62.300 -0.037 0.000 0.831 52 V CB 0.776 32.604 31.823 0.009 0.000 1.000 52 V HN 1.054 nan 8.190 nan 0.000 0.433 53 A N 4.382 127.188 122.820 -0.023 0.000 2.544 53 A HA 0.487 4.808 4.320 0.001 0.000 0.301 53 A C 0.755 178.372 177.584 0.056 0.000 1.368 53 A CA -0.120 51.963 52.037 0.077 0.000 1.045 53 A CB -0.304 18.714 19.000 0.031 0.000 1.129 53 A HN 0.970 nan 8.150 nan 0.000 0.540 54 S N 3.274 119.020 115.700 0.077 0.000 2.452 54 S HA 0.494 4.965 4.470 0.001 0.000 0.284 54 S C -2.727 171.912 174.600 0.065 0.000 1.171 54 S CA -1.582 56.655 58.200 0.062 0.000 1.064 54 S CB 0.600 63.836 63.200 0.059 0.000 0.967 54 S HN 0.438 nan 8.310 nan 0.000 0.484 55 P HA 0.143 nan 4.420 nan 0.000 0.255 55 P C 1.145 178.483 177.300 0.063 0.000 1.161 55 P CA 1.556 64.692 63.100 0.061 0.000 0.768 55 P CB -0.161 31.579 31.700 0.066 0.000 0.746 56 G N 1.603 110.443 108.800 0.068 0.000 2.195 56 G HA2 -0.222 3.738 3.960 0.001 0.000 0.224 56 G HA3 -0.222 3.738 3.960 0.001 0.000 0.224 56 G C 0.628 175.617 174.900 0.148 0.000 0.990 56 G CA 0.184 45.340 45.100 0.094 0.000 0.639 56 G HN 0.699 nan 8.290 nan 0.000 0.514 57 S N -1.289 114.493 115.700 0.136 0.000 2.598 57 S HA 0.827 5.297 4.470 0.001 0.000 0.267 57 S C 0.099 174.883 174.600 0.308 0.000 1.189 57 S CA -0.158 58.154 58.200 0.187 0.000 1.010 57 S CB 0.785 64.060 63.200 0.126 0.000 1.084 57 S HN 0.365 nan 8.310 nan 0.000 0.541 58 Y N -0.693 119.600 120.300 -0.012 0.000 2.698 58 Y HA 0.488 5.038 4.550 0.001 0.000 0.332 58 Y C -0.473 175.400 175.900 -0.045 0.000 1.119 58 Y CA -1.519 56.562 58.100 -0.032 0.000 1.109 58 Y CB 1.159 39.591 38.460 -0.047 0.000 1.308 58 Y HN 0.595 nan 8.280 nan 0.000 0.499 59 L N 1.016 122.254 121.223 0.025 0.000 2.410 59 L HA 0.604 4.944 4.340 0.001 0.000 0.273 59 L C -0.300 176.553 176.870 -0.029 0.000 1.152 59 L CA -0.207 54.611 54.840 -0.037 0.000 0.855 59 L CB 0.270 42.286 42.059 -0.071 0.000 1.129 59 L HN 0.575 nan 8.230 nan 0.000 0.463 60 T N -1.030 113.453 114.554 -0.117 0.000 2.916 60 T HA 0.197 4.547 4.350 0.001 0.000 0.298 60 T C 0.330 174.930 174.700 -0.166 0.000 1.031 60 T CA -0.731 61.296 62.100 -0.121 0.000 0.993 60 T CB 1.789 70.582 68.868 -0.124 0.000 1.045 60 T HN 0.780 nan 8.240 nan 0.000 0.454 61 Q N 0.214 119.947 119.800 -0.112 0.000 2.508 61 Q HA -0.111 4.229 4.340 0.001 0.000 0.214 61 Q C 1.025 176.951 176.000 -0.123 0.000 0.979 61 Q CA 1.230 56.972 55.803 -0.102 0.000 0.911 61 Q CB 0.123 28.823 28.738 -0.064 0.000 0.969 61 Q HN 0.762 nan 8.270 nan 0.000 0.504 62 E N -0.689 119.417 120.200 -0.155 0.000 2.472 62 E HA -0.003 4.348 4.350 0.001 0.000 0.196 62 E C 0.986 177.436 176.600 -0.250 0.000 1.033 62 E CA 0.357 56.667 56.400 -0.149 0.000 0.886 62 E CB 0.467 30.102 29.700 -0.108 0.000 0.944 62 E HN 0.360 nan 8.360 nan 0.000 0.492 63 Q N -1.453 118.074 119.800 -0.455 0.000 2.423 63 Q HA 0.121 4.461 4.340 0.001 0.000 0.231 63 Q C 1.229 176.753 176.000 -0.793 0.000 0.894 63 Q CA 0.780 55.972 55.803 -1.018 0.000 0.938 63 Q CB 1.219 28.850 28.738 -1.845 0.000 1.079 63 Q HN 0.143 nan 8.270 nan 0.000 0.552 64 V N -1.926 117.730 119.914 -0.429 0.000 3.539 64 V HA 0.417 4.537 4.120 0.001 0.000 0.262 64 V C 0.655 176.712 176.094 -0.062 0.000 1.381 64 V CA 0.146 62.334 62.300 -0.186 0.000 1.060 64 V CB 0.672 32.433 31.823 -0.104 0.000 0.842 64 V HN 0.369 nan 8.190 nan 0.000 0.445 65 G N 1.156 109.909 108.800 -0.078 0.000 2.663 65 G HA2 -0.059 3.902 3.960 0.001 0.000 0.686 65 G HA3 -0.059 3.902 3.960 0.001 0.000 0.686 65 G C -2.247 172.643 174.900 -0.016 0.000 1.288 65 G CA -0.214 44.868 45.100 -0.030 0.000 0.836 65 G HN 0.144 nan 8.290 nan 0.000 0.584 66 P HA 0.054 nan 4.420 nan 0.000 0.213 66 P C 1.591 178.898 177.300 0.012 0.000 1.170 66 P CA 1.779 64.878 63.100 -0.002 0.000 0.889 66 P CB 0.021 31.722 31.700 0.002 0.000 0.782 67 E N -0.511 119.705 120.200 0.027 0.000 2.171 67 E HA -0.130 4.220 4.350 0.001 0.000 0.197 67 E C 1.928 178.560 176.600 0.054 0.000 0.997 67 E CA 1.029 57.454 56.400 0.041 0.000 0.810 67 E CB -1.170 28.560 29.700 0.050 0.000 0.738 67 E HN 0.048 nan 8.360 nan 0.000 0.467 68 V N 0.581 120.530 119.914 0.058 0.000 2.283 68 V HA -0.204 3.916 4.120 0.001 0.000 0.243 68 V C 2.244 178.366 176.094 0.046 0.000 1.039 68 V CA 1.346 63.692 62.300 0.077 0.000 1.016 68 V CB -0.550 31.337 31.823 0.106 0.000 0.650 68 V HN 0.257 nan 8.190 nan 0.000 0.449 69 L N -0.397 120.832 121.223 0.010 0.000 2.042 69 L HA -0.227 4.113 4.340 0.001 0.000 0.210 69 L C 2.771 179.620 176.870 -0.035 0.000 1.076 69 L CA 1.888 56.712 54.840 -0.027 0.000 0.749 69 L CB -0.692 41.345 42.059 -0.038 0.000 0.893 69 L HN 0.294 nan 8.230 nan 0.000 0.432 70 R N 0.098 120.592 120.500 -0.011 0.000 2.115 70 R HA -0.256 4.085 4.340 0.001 0.000 0.239 70 R C 2.422 178.720 176.300 -0.002 0.000 1.133 70 R CA 2.192 58.288 56.100 -0.007 0.000 0.935 70 R CB -0.411 29.897 30.300 0.014 0.000 0.853 70 R HN 0.244 nan 8.270 nan 0.000 0.433 71 M N -0.238 119.389 119.600 0.045 0.000 2.067 71 M HA -0.180 4.300 4.480 0.001 0.000 0.260 71 M C 2.012 178.324 176.300 0.021 0.000 1.069 71 M CA 1.745 57.115 55.300 0.118 0.000 1.117 71 M CB -0.255 32.474 32.600 0.215 0.000 1.334 71 M HN 0.316 nan 8.290 nan 0.000 0.407 72 L N 1.158 122.345 121.223 -0.061 0.000 2.013 72 L HA -0.235 4.105 4.340 0.001 0.000 0.212 72 L C 2.268 178.849 176.870 -0.481 0.000 1.073 72 L CA 2.541 57.166 54.840 -0.358 0.000 0.753 72 L CB -0.936 40.993 42.059 -0.216 0.000 0.890 72 L HN 0.489 nan 8.230 nan 0.000 0.432 73 E N 0.147 120.181 120.200 -0.277 0.000 2.160 73 E HA -0.255 4.096 4.350 0.001 0.000 0.195 73 E C 1.919 178.372 176.600 -0.244 0.000 0.991 73 E CA 1.820 58.072 56.400 -0.246 0.000 0.810 73 E CB -0.306 29.308 29.700 -0.143 0.000 0.742 73 E HN 0.703 nan 8.360 nan 0.000 0.466 74 E N -0.775 119.302 120.200 -0.206 0.000 2.150 74 E HA -0.089 4.262 4.350 0.001 0.000 0.193 74 E C 1.957 178.411 176.600 -0.243 0.000 0.985 74 E CA 0.898 57.216 56.400 -0.138 0.000 0.814 74 E CB -0.167 29.532 29.700 -0.002 0.000 0.752 74 E HN 0.461 nan 8.360 nan 0.000 0.466 75 G N 0.667 109.086 108.800 -0.635 0.000 2.492 75 G HA2 -0.113 3.848 3.960 0.001 0.000 0.214 75 G HA3 -0.113 3.848 3.960 0.001 0.000 0.214 75 G C 1.428 176.109 174.900 -0.365 0.000 1.147 75 G CA -0.037 44.517 45.100 -0.910 0.000 0.809 75 G HN 0.025 nan 8.290 nan 0.000 0.533 76 L N 1.755 122.633 121.223 -0.575 0.000 2.275 76 L HA 0.062 4.402 4.340 0.001 0.000 0.215 76 L C 2.456 179.193 176.870 -0.223 0.000 1.119 76 L CA 1.843 56.343 54.840 -0.567 0.000 0.790 76 L CB -0.480 41.207 42.059 -0.619 0.000 0.919 76 L HN 0.347 nan 8.230 nan 0.000 0.443 77 T N -3.645 110.812 114.554 -0.162 0.000 3.248 77 T HA 0.431 4.781 4.350 0.001 0.000 0.271 77 T C 0.758 175.452 174.700 -0.009 0.000 1.005 77 T CA -0.159 61.899 62.100 -0.070 0.000 0.902 77 T CB -0.161 68.663 68.868 -0.074 0.000 1.102 77 T HN 0.153 nan 8.240 nan 0.000 0.548 78 G N 0.891 109.712 108.800 0.035 0.000 2.353 78 G HA2 0.359 4.320 3.960 0.001 0.000 0.284 78 G HA3 0.359 4.320 3.960 0.001 0.000 0.284 78 G C 0.432 175.401 174.900 0.114 0.000 1.172 78 G CA -0.613 44.551 45.100 0.107 0.000 0.854 78 G HN 0.116 nan 8.290 nan 0.000 0.485 79 N N 1.292 120.048 118.700 0.093 0.000 2.039 79 N HA -0.022 4.719 4.740 0.001 0.000 0.193 79 N C 1.588 177.144 175.510 0.076 0.000 1.044 79 N CA 1.453 54.547 53.050 0.072 0.000 0.847 79 N CB -0.137 38.384 38.487 0.057 0.000 1.030 79 N HN 0.618 nan 8.380 nan 0.000 0.422 80 G N -0.130 108.723 108.800 0.088 0.000 2.437 80 G HA2 0.455 4.415 3.960 0.001 0.000 0.319 80 G HA3 0.455 4.415 3.960 0.001 0.000 0.319 80 G C -2.467 172.492 174.900 0.098 0.000 1.158 80 G CA -1.011 44.134 45.100 0.074 0.000 0.899 80 G HN -0.033 nan 8.290 nan 0.000 0.502 81 P HA -0.070 nan 4.420 nan 0.000 0.255 81 P C -0.562 176.799 177.300 0.101 0.000 1.151 81 P CA 0.212 63.335 63.100 0.038 0.000 0.767 81 P CB 0.237 31.916 31.700 -0.036 0.000 0.736 82 W N 4.965 126.242 121.300 -0.037 0.000 2.253 82 W HA 0.396 5.056 4.660 0.001 0.000 0.322 82 W C -0.328 176.212 176.519 0.034 0.000 1.342 82 W CA 0.423 57.785 57.345 0.028 0.000 1.218 82 W CB 0.678 30.213 29.460 0.125 0.000 1.205 82 W HN 0.267 nan 8.180 nan 0.000 0.551 83 S N 6.061 121.376 115.700 -0.641 0.000 2.566 83 S HA 0.508 4.978 4.470 0.001 0.000 0.273 83 S C -1.355 172.857 174.600 -0.646 0.000 1.157 83 S CA -0.757 57.008 58.200 -0.725 0.000 0.938 83 S CB 0.632 63.670 63.200 -0.269 0.000 1.087 83 S HN 0.768 nan 8.310 nan 0.000 0.474 84 N N 0.633 118.941 118.700 -0.653 0.000 3.185 84 N HA 0.472 5.213 4.740 0.001 0.000 0.238 84 N C -1.829 173.547 175.510 -0.223 0.000 1.451 84 N CA -0.393 52.476 53.050 -0.301 0.000 0.888 84 N CB 1.809 40.207 38.487 -0.149 0.000 1.413 84 N HN 0.703 nan 8.380 nan 0.000 0.511 85 S N 0.032 115.671 115.700 -0.102 0.000 2.632 85 S HA 0.831 5.301 4.470 0.001 0.000 0.289 85 S C -1.494 173.082 174.600 -0.041 0.000 1.115 85 S CA -0.413 57.696 58.200 -0.152 0.000 0.889 85 S CB 2.077 65.152 63.200 -0.208 0.000 1.116 85 S HN 0.277 nan 8.310 nan 0.000 0.486 86 V N 1.097 120.983 119.914 -0.046 0.000 2.852 86 V HA 0.461 4.582 4.120 0.001 0.000 0.300 86 V C -1.235 174.884 176.094 0.041 0.000 1.205 86 V CA -0.504 61.810 62.300 0.023 0.000 0.940 86 V CB 1.906 33.761 31.823 0.053 0.000 1.047 86 V HN 1.042 nan 8.190 nan 0.000 0.429 87 E N 2.589 122.826 120.200 0.061 0.000 2.073 87 E HA 0.642 4.992 4.350 0.001 0.000 0.269 87 E C -0.834 175.826 176.600 0.099 0.000 0.917 87 E CA -0.029 56.423 56.400 0.086 0.000 0.757 87 E CB 1.346 31.089 29.700 0.070 0.000 1.111 87 E HN 0.702 nan 8.360 nan 0.000 0.410 88 T N 3.144 117.781 114.554 0.139 0.000 2.923 88 T HA 0.299 4.649 4.350 0.001 0.000 0.311 88 T C -1.106 173.702 174.700 0.181 0.000 1.183 88 T CA -0.801 61.377 62.100 0.131 0.000 1.020 88 T CB 1.055 69.986 68.868 0.104 0.000 1.165 88 T HN 0.533 nan 8.240 nan 0.000 0.482 89 R N 3.878 124.466 120.500 0.147 0.000 2.421 89 R HA 0.423 4.763 4.340 0.001 0.000 0.305 89 R C -0.602 175.791 176.300 0.156 0.000 1.039 89 R CA 0.245 56.448 56.100 0.173 0.000 1.003 89 R CB -0.159 30.208 30.300 0.111 0.000 0.959 89 R HN 0.552 nan 8.270 nan 0.000 0.427 90 I N 6.464 127.162 120.570 0.214 0.000 2.464 90 I HA 0.344 4.515 4.170 0.001 0.000 0.277 90 I C 0.834 177.003 176.117 0.087 0.000 1.040 90 I CA -0.071 61.265 61.300 0.061 0.000 1.153 90 I CB 1.329 39.224 38.000 -0.175 0.000 1.274 90 I HN 1.068 nan 8.210 nan 0.000 0.469 91 G N 5.209 114.055 108.800 0.076 0.000 2.669 91 G HA2 -0.227 3.734 3.960 0.001 0.000 0.250 91 G HA3 -0.227 3.734 3.960 0.001 0.000 0.250 91 G C 0.402 175.335 174.900 0.056 0.000 1.247 91 G CA 0.124 45.274 45.100 0.082 0.000 0.958 91 G HN 0.539 nan 8.290 nan 0.000 0.559 92 E N 0.332 120.547 120.200 0.023 0.000 2.413 92 E HA 0.177 4.527 4.350 0.001 0.000 0.203 92 E C 0.333 176.773 176.600 -0.267 0.000 0.957 92 E CA 0.026 56.326 56.400 -0.166 0.000 0.950 92 E CB 0.302 29.828 29.700 -0.290 0.000 0.957 92 E HN 0.613 nan 8.360 nan 0.000 0.497 93 H N 0.120 119.290 119.070 0.167 0.000 2.573 93 H HA 0.318 4.874 4.556 0.001 0.000 0.351 93 H C -0.031 175.411 175.328 0.190 0.000 1.163 93 H CA -0.718 55.402 56.048 0.120 0.000 1.205 93 H CB 1.591 31.377 29.762 0.040 0.000 1.605 93 H HN -0.050 nan 8.280 nan 0.000 0.525 94 L N 1.731 123.064 121.223 0.184 0.000 2.417 94 L HA 0.146 4.487 4.340 0.001 0.000 0.268 94 L C -0.519 176.387 176.870 0.059 0.000 1.158 94 L CA 0.239 55.178 54.840 0.166 0.000 0.819 94 L CB 0.160 42.270 42.059 0.086 0.000 1.112 94 L HN 0.330 nan 8.230 nan 0.000 0.458 95 F N 0.069 120.090 119.950 0.119 0.000 2.563 95 F HA 0.307 4.834 4.527 0.001 0.000 0.316 95 F C -0.078 175.781 175.800 0.099 0.000 1.076 95 F CA -0.862 57.219 58.000 0.135 0.000 0.921 95 F CB 1.745 40.869 39.000 0.206 0.000 1.209 95 F HN 0.328 nan 8.300 nan 0.000 0.462 96 D N 2.229 122.761 120.400 0.221 0.000 2.313 96 D HA 0.368 5.008 4.640 0.001 0.000 0.239 96 D C -0.796 175.547 176.300 0.072 0.000 1.142 96 D CA 0.149 54.211 54.000 0.103 0.000 0.847 96 D CB 1.668 42.494 40.800 0.043 0.000 1.082 96 D HN 0.065 nan 8.370 nan 0.000 0.480 97 V N 5.203 125.114 119.914 -0.004 0.000 2.294 97 V HA 0.332 4.452 4.120 0.001 0.000 0.272 97 V C 0.373 176.306 176.094 -0.269 0.000 1.027 97 V CA -0.740 61.475 62.300 -0.142 0.000 0.823 97 V CB 0.624 32.443 31.823 -0.006 0.000 1.030 97 V HN 0.382 nan 8.190 nan 0.000 0.457 98 I N 2.205 122.539 120.570 -0.392 0.000 2.474 98 I HA 1.031 5.201 4.170 0.001 0.000 0.294 98 I C 0.153 176.097 176.117 -0.288 0.000 1.005 98 I CA -0.314 60.746 61.300 -0.401 0.000 1.113 98 I CB 2.118 39.733 38.000 -0.641 0.000 1.289 98 I HN 0.558 nan 8.210 nan 0.000 0.436 99 G N 3.891 112.514 108.800 -0.295 0.000 2.730 99 G HA2 0.842 4.803 3.960 0.001 0.000 0.289 99 G HA3 0.842 4.803 3.960 0.001 0.000 0.289 99 G C -1.637 172.906 174.900 -0.595 0.000 1.341 99 G CA -0.769 44.146 45.100 -0.309 0.000 0.932 99 G HN 1.128 nan 8.290 nan 0.000 0.481 100 H N -2.594 116.238 119.070 -0.397 0.000 3.005 100 H HA 0.643 5.200 4.556 0.001 0.000 0.311 100 H C -0.811 174.548 175.328 0.052 0.000 1.366 100 H CA -0.570 55.282 56.048 -0.326 0.000 1.210 100 H CB 0.825 30.463 29.762 -0.206 0.000 1.894 100 H HN 0.727 nan 8.280 nan 0.000 0.520 101 S N 1.317 117.028 115.700 0.017 0.000 2.472 101 S HA 0.613 5.083 4.470 0.001 0.000 0.303 101 S C -1.284 173.316 174.600 -0.001 0.000 1.099 101 S CA -0.770 57.238 58.200 -0.320 0.000 1.077 101 S CB 1.468 64.163 63.200 -0.842 0.000 1.031 101 S HN 0.725 nan 8.310 nan 0.000 0.487 102 Y N 1.987 122.260 120.300 -0.045 0.000 2.433 102 Y HA 0.504 5.055 4.550 0.001 0.000 0.337 102 Y C 0.172 176.109 175.900 0.062 0.000 1.026 102 Y CA -0.416 57.703 58.100 0.031 0.000 1.037 102 Y CB 0.913 39.492 38.460 0.198 0.000 1.245 102 Y HN 0.914 nan 8.280 nan 0.000 0.443 103 K N 2.030 122.022 120.400 -0.679 0.000 1.699 103 K HA -0.317 4.003 4.320 0.001 0.000 0.127 103 K C 0.358 176.863 176.600 -0.158 0.000 1.157 103 K CA 2.225 58.265 56.287 -0.411 0.000 0.341 103 K CB -0.988 31.326 32.500 -0.310 0.000 0.645 103 K HN 0.920 nan 8.250 nan 0.000 0.848 104 E N 0.059 120.226 120.200 -0.055 0.000 2.501 104 E HA 0.251 4.601 4.350 0.001 0.000 0.200 104 E C -0.526 176.116 176.600 0.070 0.000 1.016 104 E CA -0.135 56.275 56.400 0.015 0.000 0.921 104 E CB 0.624 30.338 29.700 0.023 0.000 1.034 104 E HN 0.203 nan 8.360 nan 0.000 0.468 105 V N 0.267 120.198 119.914 0.029 0.000 3.096 105 V HA 0.476 4.597 4.120 0.001 0.000 0.319 105 V C -0.510 175.503 176.094 -0.134 0.000 1.103 105 V CA -0.827 61.461 62.300 -0.020 0.000 1.016 105 V CB 1.279 33.016 31.823 -0.144 0.000 1.090 105 V HN -0.054 nan 8.190 nan 0.000 0.449 106 F N 0.493 120.198 119.950 -0.409 0.000 2.563 106 F HA 0.749 5.276 4.527 0.001 0.000 0.316 106 F C -0.711 174.758 175.800 -0.552 0.000 1.076 106 F CA -0.689 57.133 58.000 -0.297 0.000 0.921 106 F CB 1.893 40.806 39.000 -0.146 0.000 1.209 106 F HN 0.309 nan 8.300 nan 0.000 0.462 107 Y N 2.872 123.178 120.300 0.011 0.000 2.512 107 Y HA 0.693 5.244 4.550 0.001 0.000 0.348 107 Y C -0.936 174.890 175.900 -0.123 0.000 0.990 107 Y CA -1.098 56.900 58.100 -0.170 0.000 1.033 107 Y CB 1.938 40.111 38.460 -0.479 0.000 1.259 107 Y HN 0.245 nan 8.280 nan 0.000 0.461 108 L N 2.347 123.601 121.223 0.052 0.000 2.408 108 L HA 0.529 4.869 4.340 0.001 0.000 0.268 108 L C -1.227 175.492 176.870 -0.251 0.000 0.986 108 L CA -0.634 54.142 54.840 -0.107 0.000 0.820 108 L CB 2.327 44.358 42.059 -0.046 0.000 1.303 108 L HN 0.821 nan 8.230 nan 0.000 0.411 109 E N 3.178 123.089 120.200 -0.482 0.000 2.256 109 E HA 0.493 4.843 4.350 0.001 0.000 0.268 109 E C -1.675 174.623 176.600 -0.503 0.000 0.877 109 E CA -0.389 55.807 56.400 -0.339 0.000 0.757 109 E CB 2.485 32.114 29.700 -0.119 0.000 1.183 109 E HN 0.233 nan 8.360 nan 0.000 0.418 110 F N 1.777 121.775 119.950 0.080 0.000 2.445 110 F HA 0.328 4.856 4.527 0.001 0.000 0.348 110 F C 0.187 176.165 175.800 0.298 0.000 1.125 110 F CA -0.711 57.418 58.000 0.215 0.000 0.983 110 F CB 1.353 40.445 39.000 0.152 0.000 1.198 110 F HN 0.217 nan 8.300 nan 0.000 0.436 111 E N 4.427 124.844 120.200 0.362 0.000 2.179 111 E HA 0.444 4.795 4.350 0.001 0.000 0.275 111 E C -0.275 176.297 176.600 -0.046 0.000 0.945 111 E CA -0.997 55.511 56.400 0.181 0.000 0.792 111 E CB 2.169 31.951 29.700 0.136 0.000 1.125 111 E HN 0.401 nan 8.360 nan 0.000 0.397 112 I N 0.052 120.454 120.570 -0.280 0.000 2.696 112 I HA 0.280 4.451 4.170 0.001 0.000 0.284 112 I C 0.299 176.281 176.117 -0.225 0.000 1.129 112 I CA -0.439 60.540 61.300 -0.534 0.000 1.410 112 I CB 0.025 37.740 38.000 -0.476 0.000 1.399 112 I HN 0.387 nan 8.210 nan 0.000 0.579 113 R N 3.370 123.753 120.500 -0.195 0.000 2.242 113 R HA 0.244 4.584 4.340 0.001 0.000 0.334 113 R C -0.497 175.769 176.300 -0.056 0.000 1.071 113 R CA 0.019 56.075 56.100 -0.073 0.000 0.922 113 R CB -0.107 30.175 30.300 -0.030 0.000 1.023 113 R HN 0.710 nan 8.270 nan 0.000 0.458 114 T N 4.886 119.417 114.554 -0.039 0.000 3.185 114 T HA 0.298 4.648 4.350 0.001 0.000 0.287 114 T C 0.553 175.239 174.700 -0.022 0.000 1.051 114 T CA 0.068 62.147 62.100 -0.034 0.000 1.051 114 T CB 0.157 69.004 68.868 -0.035 0.000 1.034 114 T HN 0.739 nan 8.240 nan 0.000 0.685 119 S N 0.698 116.384 115.700 -0.023 0.000 2.475 119 S HA 0.456 4.926 4.470 0.001 0.000 0.281 119 S C 0.997 175.599 174.600 0.002 0.000 1.198 119 S CA -0.534 57.662 58.200 -0.008 0.000 1.063 119 S CB 1.150 64.356 63.200 0.011 0.000 0.972 119 S HN 0.418 nan 8.310 nan 0.000 0.486 120 I N 2.305 122.870 120.570 -0.009 0.000 2.286 120 I HA -0.141 4.030 4.170 0.001 0.000 0.245 120 I C 2.283 178.453 176.117 0.089 0.000 1.104 120 I CA 1.009 62.313 61.300 0.006 0.000 1.397 120 I CB -0.466 37.517 38.000 -0.028 0.000 1.072 120 I HN 0.569 nan 8.210 nan 0.000 0.417 121 T N 0.071 114.660 114.554 0.057 0.000 2.849 121 T HA -0.124 4.226 4.350 0.001 0.000 0.270 121 T C 1.779 176.520 174.700 0.069 0.000 1.066 121 T CA 1.442 63.578 62.100 0.059 0.000 1.130 121 T CB -0.201 68.687 68.868 0.033 0.000 0.864 121 T HN 0.251 nan 8.240 nan 0.000 0.481 122 S N 0.366 116.112 115.700 0.077 0.000 2.607 122 S HA 0.196 4.666 4.470 0.001 0.000 0.224 122 S C 1.095 175.774 174.600 0.133 0.000 0.969 122 S CA -0.026 58.221 58.200 0.078 0.000 0.927 122 S CB -0.260 62.978 63.200 0.063 0.000 0.772 122 S HN 0.659 nan 8.310 nan 0.000 0.533 123 F N 1.191 121.133 119.950 -0.013 0.000 2.667 123 F HA 0.139 4.666 4.527 0.001 0.000 0.288 123 F C 1.731 177.540 175.800 0.015 0.000 1.086 123 F CA 0.309 58.304 58.000 -0.008 0.000 1.297 123 F CB -0.177 38.762 39.000 -0.101 0.000 1.059 123 F HN -0.002 nan 8.300 nan 0.000 0.624 124 T N 2.079 116.700 114.554 0.112 0.000 3.072 124 T HA -0.030 4.320 4.350 0.001 0.000 0.266 124 T C 1.869 176.532 174.700 -0.060 0.000 1.127 124 T CA 1.202 63.302 62.100 0.001 0.000 1.107 124 T CB -0.133 68.789 68.868 0.090 0.000 0.910 124 T HN 0.310 nan 8.240 nan 0.000 0.513 125 L N 1.929 123.126 121.223 -0.044 0.000 2.145 125 L HA 0.080 4.420 4.340 0.001 0.000 0.201 125 L C 1.887 178.719 176.870 -0.062 0.000 1.075 125 L CA 0.818 55.638 54.840 -0.034 0.000 0.773 125 L CB -0.046 42.010 42.059 -0.005 0.000 0.936 125 L HN 0.252 nan 8.230 nan 0.000 0.451 126 N N 0.107 118.759 118.700 -0.080 0.000 2.322 126 N HA 0.036 4.776 4.740 0.001 0.000 0.216 126 N C 0.706 176.134 175.510 -0.137 0.000 1.144 126 N CA 0.676 53.676 53.050 -0.082 0.000 0.830 126 N CB 0.396 38.861 38.487 -0.036 0.000 1.034 126 N HN 0.225 nan 8.380 nan 0.000 0.484 127 A N -0.434 122.272 122.820 -0.191 0.000 2.195 127 A HA 0.096 4.417 4.320 0.001 0.000 0.210 127 A C 1.981 179.498 177.584 -0.112 0.000 1.165 127 A CA 0.222 52.159 52.037 -0.167 0.000 0.806 127 A CB 0.002 18.868 19.000 -0.224 0.000 0.847 127 A HN 0.200 nan 8.150 nan 0.000 0.482 128 Q N -0.482 119.263 119.800 -0.091 0.000 2.302 128 Q HA -0.017 4.323 4.340 0.001 0.000 0.202 128 Q C 2.011 177.972 176.000 -0.065 0.000 0.936 128 Q CA 0.778 56.543 55.803 -0.062 0.000 0.886 128 Q CB -0.012 28.700 28.738 -0.043 0.000 0.986 128 Q HN 0.611 nan 8.270 nan 0.000 0.487 129 R N 0.453 120.907 120.500 -0.077 0.000 2.241 129 R HA -0.054 4.286 4.340 0.001 0.000 0.224 129 R C 1.491 177.730 176.300 -0.102 0.000 1.101 129 R CA 0.958 57.013 56.100 -0.076 0.000 0.995 129 R CB 0.015 30.270 30.300 -0.074 0.000 0.870 129 R HN 0.122 nan 8.270 nan 0.000 0.463 130 I N -0.805 119.687 120.570 -0.131 0.000 3.790 130 I HA 0.048 4.218 4.170 0.001 0.000 0.305 130 I C 1.734 177.781 176.117 -0.115 0.000 1.253 130 I CA 0.406 61.608 61.300 -0.164 0.000 1.355 130 I CB -0.323 37.507 38.000 -0.283 0.000 1.137 130 I HN 0.117 nan 8.210 nan 0.000 0.435 131 I N 0.943 121.462 120.570 -0.085 0.000 2.500 131 I HA -0.124 4.046 4.170 0.001 0.000 0.252 131 I C 2.619 178.718 176.117 -0.030 0.000 1.142 131 I CA 0.946 62.216 61.300 -0.051 0.000 1.451 131 I CB -0.165 37.813 38.000 -0.037 0.000 1.093 131 I HN 0.061 nan 8.210 nan 0.000 0.430 132 A N 0.146 122.948 122.820 -0.029 0.000 1.855 132 A HA -0.155 4.166 4.320 0.001 0.000 0.213 132 A C 2.218 179.812 177.584 0.016 0.000 1.195 132 A CA 0.915 52.949 52.037 -0.006 0.000 0.610 132 A CB -0.470 18.525 19.000 -0.009 0.000 0.837 132 A HN 0.289 nan 8.150 nan 0.000 0.444 133 Q N -0.673 119.118 119.800 -0.014 0.000 2.297 133 Q HA -0.098 4.242 4.340 0.001 0.000 0.208 133 Q C 1.669 177.658 176.000 -0.018 0.000 0.981 133 Q CA 1.438 57.225 55.803 -0.028 0.000 0.876 133 Q CB -0.163 28.511 28.738 -0.106 0.000 0.921 133 Q HN 0.457 nan 8.270 nan 0.000 0.446 134 V N -0.395 119.518 119.914 -0.001 0.000 3.578 134 V HA 0.027 4.148 4.120 0.001 0.000 0.290 134 V C 1.037 177.172 176.094 0.068 0.000 1.376 134 V CA 0.380 62.693 62.300 0.021 0.000 1.083 134 V CB 0.589 32.396 31.823 -0.026 0.000 0.911 134 V HN 0.065 nan 8.190 nan 0.000 0.433 135 Q N -0.629 119.212 119.800 0.068 0.000 2.319 135 Q HA 0.327 4.667 4.340 0.001 0.000 0.209 135 Q C 1.593 177.616 176.000 0.038 0.000 0.884 135 Q CA 0.738 56.565 55.803 0.040 0.000 0.938 135 Q CB 0.342 29.089 28.738 0.015 0.000 1.098 135 Q HN 0.604 nan 8.270 nan 0.000 0.517 136 L N -1.109 120.163 121.223 0.080 0.000 2.202 136 L HA 0.001 4.342 4.340 0.001 0.000 0.205 136 L C 1.710 178.502 176.870 -0.130 0.000 1.083 136 L CA 0.729 55.540 54.840 -0.049 0.000 0.790 136 L CB -0.152 41.835 42.059 -0.120 0.000 0.942 136 L HN 0.330 nan 8.230 nan 0.000 0.452 137 H N -0.799 118.261 119.070 -0.017 0.000 2.520 137 H HA 0.110 4.666 4.556 0.001 0.000 0.279 137 H C 0.186 175.507 175.328 -0.012 0.000 0.990 137 H CA -0.036 56.004 56.048 -0.014 0.000 1.288 137 H CB 0.341 30.094 29.762 -0.015 0.000 1.446 137 H HN 0.226 nan 8.280 nan 0.000 0.538 138 N N 2.832 121.591 118.700 0.098 0.000 2.707 138 N HA -0.139 4.602 4.740 0.001 0.000 0.253 138 N C -1.235 174.300 175.510 0.043 0.000 0.998 138 N CA 1.468 54.545 53.050 0.045 0.000 0.751 138 N CB -1.110 37.388 38.487 0.017 0.000 0.920 138 N HN 0.649 nan 8.380 nan 0.000 0.539 139 D N -3.217 117.215 120.400 0.053 0.000 2.936 139 D HA 0.209 4.849 4.640 0.001 0.000 0.238 139 D C 1.230 177.556 176.300 0.042 0.000 1.248 139 D CA -0.212 53.814 54.000 0.043 0.000 0.903 139 D CB 0.724 41.551 40.800 0.045 0.000 1.544 139 D HN -0.008 nan 8.370 nan 0.000 0.543 140 T N 0.103 114.686 114.554 0.048 0.000 2.737 140 T HA -0.249 4.101 4.350 0.001 0.000 0.269 140 T C 1.874 176.627 174.700 0.089 0.000 1.040 140 T CA 1.910 64.052 62.100 0.069 0.000 1.142 140 T CB -0.424 68.511 68.868 0.111 0.000 0.861 140 T HN 0.491 nan 8.240 nan 0.000 0.456 141 A N 0.871 123.735 122.820 0.073 0.000 1.978 141 A HA 0.012 4.332 4.320 0.001 0.000 0.220 141 A C 2.662 180.262 177.584 0.027 0.000 1.170 141 A CA 2.031 54.097 52.037 0.048 0.000 0.636 141 A CB -0.885 18.132 19.000 0.028 0.000 0.810 141 A HN 0.598 nan 8.150 nan 0.000 0.448 142 S N -0.913 114.800 115.700 0.022 0.000 2.501 142 S HA 0.048 4.519 4.470 0.001 0.000 0.220 142 S C 1.699 176.281 174.600 -0.030 0.000 0.997 142 S CA 0.807 59.001 58.200 -0.009 0.000 0.919 142 S CB -0.101 63.097 63.200 -0.003 0.000 0.778 142 S HN 0.654 nan 8.310 nan 0.000 0.523 143 L N 0.790 122.013 121.223 -0.000 0.000 2.127 143 L HA 0.241 4.581 4.340 0.001 0.000 0.203 143 L C 1.729 178.622 176.870 0.037 0.000 1.080 143 L CA 1.471 56.306 54.840 -0.007 0.000 0.768 143 L CB -1.097 40.964 42.059 0.003 0.000 0.924 143 L HN 0.170 nan 8.230 nan 0.000 0.444 144 L N -0.214 121.061 121.223 0.087 0.000 1.989 144 L HA -0.203 4.137 4.340 0.001 0.000 0.211 144 L C 2.833 179.753 176.870 0.083 0.000 1.071 144 L CA 1.818 56.743 54.840 0.141 0.000 0.749 144 L CB -0.880 41.232 42.059 0.089 0.000 0.890 144 L HN 0.529 nan 8.230 nan 0.000 0.431 145 S N -0.311 115.402 115.700 0.021 0.000 2.368 145 S HA -0.232 4.238 4.470 0.001 0.000 0.225 145 S C 1.723 176.302 174.600 -0.035 0.000 1.030 145 S CA 1.999 60.192 58.200 -0.011 0.000 0.999 145 S CB -0.330 62.856 63.200 -0.023 0.000 0.844 145 S HN 0.483 nan 8.310 nan 0.000 0.459 146 N N -0.120 118.545 118.700 -0.059 0.000 2.109 146 N HA -0.112 4.628 4.740 0.001 0.000 0.188 146 N C 1.917 177.358 175.510 -0.114 0.000 1.034 146 N CA 1.612 54.601 53.050 -0.102 0.000 0.846 146 N CB -0.144 38.256 38.487 -0.145 0.000 1.010 146 N HN 0.387 nan 8.380 nan 0.000 0.425 147 V N -1.195 118.648 119.914 -0.119 0.000 2.594 147 V HA -0.108 4.012 4.120 0.001 0.000 0.253 147 V C 1.927 177.897 176.094 -0.206 0.000 1.069 147 V CA 1.923 64.091 62.300 -0.221 0.000 1.082 147 V CB -1.125 30.525 31.823 -0.288 0.000 0.680 147 V HN 0.250 nan 8.190 nan 0.000 0.469 148 T N 0.661 115.176 114.554 -0.065 0.000 2.788 148 T HA -0.148 4.202 4.350 0.001 0.000 0.268 148 T C 1.540 176.197 174.700 -0.071 0.000 1.044 148 T CA 2.071 64.154 62.100 -0.029 0.000 1.139 148 T CB -0.474 68.418 68.868 0.041 0.000 0.867 148 T HN 0.609 nan 8.240 nan 0.000 0.454 149 D N 0.593 120.949 120.400 -0.072 0.000 2.097 149 D HA -0.063 4.577 4.640 0.001 0.000 0.195 149 D C 2.213 178.467 176.300 -0.076 0.000 0.989 149 D CA 0.920 54.881 54.000 -0.065 0.000 0.827 149 D CB -0.241 40.522 40.800 -0.062 0.000 0.966 149 D HN 0.312 nan 8.370 nan 0.000 0.456 150 E N 0.268 120.399 120.200 -0.114 0.000 2.110 150 E HA -0.089 4.262 4.350 0.001 0.000 0.193 150 E C 2.087 178.633 176.600 -0.090 0.000 0.988 150 E CA 0.605 56.935 56.400 -0.117 0.000 0.804 150 E CB -0.294 29.289 29.700 -0.195 0.000 0.745 150 E HN 0.240 nan 8.360 nan 0.000 0.458 151 L N 0.017 121.153 121.223 -0.145 0.000 2.012 151 L HA -0.214 4.127 4.340 0.001 0.000 0.210 151 L C 2.794 179.634 176.870 -0.050 0.000 1.073 151 L CA 1.752 56.517 54.840 -0.126 0.000 0.748 151 L CB -0.408 41.514 42.059 -0.228 0.000 0.891 151 L HN 0.183 nan 8.230 nan 0.000 0.431 152 R N 0.170 120.649 120.500 -0.035 0.000 2.083 152 R HA -0.206 4.134 4.340 0.001 0.000 0.237 152 R C 2.463 178.782 176.300 0.032 0.000 1.137 152 R CA 1.724 57.832 56.100 0.014 0.000 0.951 152 R CB -0.082 30.218 30.300 0.002 0.000 0.851 152 R HN 0.277 nan 8.270 nan 0.000 0.434 153 R N -0.376 120.136 120.500 0.019 0.000 2.073 153 R HA -0.095 4.246 4.340 0.001 0.000 0.234 153 R C 2.488 178.828 176.300 0.068 0.000 1.134 153 R CA 1.752 57.871 56.100 0.033 0.000 0.952 153 R CB -0.311 29.999 30.300 0.017 0.000 0.850 153 R HN 0.268 nan 8.270 nan 0.000 0.433 154 M N 0.349 120.010 119.600 0.102 0.000 2.108 154 M HA -0.163 4.318 4.480 0.001 0.000 0.261 154 M C 2.215 178.631 176.300 0.193 0.000 1.066 154 M CA 2.362 57.780 55.300 0.197 0.000 1.107 154 M CB -0.503 32.307 32.600 0.349 0.000 1.356 154 M HN 0.392 nan 8.290 nan 0.000 0.406 155 T N -4.806 109.821 114.554 0.121 0.000 3.045 155 T HA 0.314 4.664 4.350 0.001 0.000 0.239 155 T C 1.435 176.141 174.700 0.011 0.000 1.008 155 T CA 1.026 63.181 62.100 0.090 0.000 1.143 155 T CB 0.365 69.273 68.868 0.067 0.000 0.894 155 T HN 0.506 nan 8.240 nan 0.000 0.451 156 G N 0.171 108.997 108.800 0.043 0.000 2.179 156 G HA2 -0.189 3.771 3.960 0.001 0.000 0.220 156 G HA3 -0.189 3.771 3.960 0.001 0.000 0.220 156 G C -0.091 174.872 174.900 0.104 0.000 0.990 156 G CA -0.284 44.840 45.100 0.039 0.000 0.646 156 G HN 0.615 nan 8.290 nan 0.000 0.517 157 Y N 1.741 122.114 120.300 0.120 0.000 2.717 157 Y HA 0.155 4.706 4.550 0.001 0.000 0.330 157 Y C 1.893 177.843 175.900 0.084 0.000 1.217 157 Y CA 0.607 58.838 58.100 0.217 0.000 1.506 157 Y CB 0.567 39.073 38.460 0.077 0.000 1.268 157 Y HN 0.148 nan 8.280 nan 0.000 0.561 158 D N 1.390 121.868 120.400 0.129 0.000 2.133 158 D HA -0.193 4.447 4.640 0.001 0.000 0.195 158 D C 0.797 177.112 176.300 0.025 0.000 0.997 158 D CA 1.622 55.577 54.000 -0.076 0.000 0.840 158 D CB 0.109 40.766 40.800 -0.239 0.000 0.947 158 D HN 0.473 nan 8.370 nan 0.000 0.452 159 R N -0.626 119.921 120.500 0.079 0.000 2.771 159 R HA 0.546 4.886 4.340 0.001 0.000 0.274 159 R C -1.970 174.293 176.300 -0.063 0.000 0.987 159 R CA -0.786 55.322 56.100 0.012 0.000 0.908 159 R CB 2.338 32.649 30.300 0.019 0.000 1.213 159 R HN -0.071 nan 8.270 nan 0.000 0.468 160 V N 4.387 124.234 119.914 -0.111 0.000 2.777 160 V HA 0.567 4.687 4.120 0.001 0.000 0.306 160 V C -1.462 174.514 176.094 -0.198 0.000 1.112 160 V CA -0.641 61.547 62.300 -0.187 0.000 0.917 160 V CB 2.141 33.891 31.823 -0.120 0.000 1.018 160 V HN 0.914 nan 8.190 nan 0.000 0.426 161 M N 5.032 124.444 119.600 -0.314 0.000 2.690 161 M HA 0.907 5.388 4.480 0.001 0.000 0.302 161 M C -0.473 175.537 176.300 -0.485 0.000 1.234 161 M CA -0.670 54.397 55.300 -0.388 0.000 0.853 161 M CB 2.450 34.732 32.600 -0.531 0.000 1.748 161 M HN 0.851 nan 8.290 nan 0.000 0.469 162 A N 1.439 123.963 122.820 -0.494 0.000 2.319 162 A HA 0.764 5.085 4.320 0.001 0.000 0.310 162 A C -1.848 175.371 177.584 -0.608 0.000 1.152 162 A CA -0.484 51.206 52.037 -0.578 0.000 0.783 162 A CB 0.509 19.278 19.000 -0.385 0.000 1.184 162 A HN 0.762 nan 8.150 nan 0.000 0.474 163 Y N 1.194 121.281 120.300 -0.355 0.000 2.352 163 Y HA 0.592 5.142 4.550 0.001 0.000 0.326 163 Y C 0.948 176.519 175.900 -0.548 0.000 1.166 163 Y CA -0.501 57.329 58.100 -0.450 0.000 1.182 163 Y CB 1.375 39.533 38.460 -0.504 0.000 1.216 163 Y HN 0.618 nan 8.280 nan 0.000 0.474 164 R N 1.805 122.003 120.500 -0.503 0.000 2.604 164 R HA 0.475 4.816 4.340 0.001 0.000 0.287 164 R C -1.774 174.061 176.300 -0.775 0.000 0.970 164 R CA -0.901 54.773 56.100 -0.711 0.000 0.946 164 R CB 1.234 31.128 30.300 -0.675 0.000 1.127 164 R HN 0.554 nan 8.270 nan 0.000 0.473 165 F N 2.602 122.207 119.950 -0.576 0.000 2.402 165 F HA 0.397 4.924 4.527 0.001 0.000 0.355 165 F C 0.933 176.537 175.800 -0.327 0.000 1.123 165 F CA -0.771 57.008 58.000 -0.368 0.000 1.021 165 F CB 0.989 39.846 39.000 -0.240 0.000 1.160 165 F HN 0.184 nan 8.300 nan 0.000 0.451 166 R N 0.462 120.907 120.500 -0.091 0.000 2.954 166 R HA -0.001 4.340 4.340 0.001 0.000 0.276 166 R C 1.289 177.634 176.300 0.076 0.000 1.218 166 R CA -0.228 55.853 56.100 -0.030 0.000 1.149 166 R CB -0.125 30.162 30.300 -0.023 0.000 1.112 166 R HN 0.697 nan 8.270 nan 0.000 0.577 167 H N 0.775 119.852 119.070 0.011 0.000 2.524 167 H HA -0.054 4.502 4.556 0.001 0.000 0.282 167 H C 0.574 175.926 175.328 0.040 0.000 1.016 167 H CA 1.692 57.760 56.048 0.034 0.000 1.270 167 H CB 0.057 29.842 29.762 0.038 0.000 1.394 167 H HN 0.497 nan 8.280 nan 0.000 0.568 168 D N -1.059 119.321 120.400 -0.033 0.000 2.340 168 D HA -0.020 4.620 4.640 0.001 0.000 0.217 168 D C -0.143 176.152 176.300 -0.009 0.000 1.081 168 D CA 0.281 54.240 54.000 -0.069 0.000 0.842 168 D CB -0.154 40.643 40.800 -0.004 0.000 0.934 168 D HN 0.211 nan 8.370 nan 0.000 0.511 169 D N 0.430 120.851 120.400 0.035 0.000 2.911 169 D HA -0.203 4.437 4.640 0.001 0.000 0.227 169 D C 1.380 177.818 176.300 0.230 0.000 1.164 169 D CA 1.104 55.187 54.000 0.139 0.000 0.782 169 D CB -1.540 39.272 40.800 0.018 0.000 1.094 169 D HN 0.477 nan 8.370 nan 0.000 0.425 170 S N -0.464 115.294 115.700 0.096 0.000 2.335 170 S HA 0.248 4.718 4.470 0.001 0.000 0.217 170 S C 1.344 175.714 174.600 -0.383 0.000 1.032 170 S CA 1.019 59.198 58.200 -0.035 0.000 0.985 170 S CB 0.124 63.304 63.200 -0.034 0.000 0.896 170 S HN 1.358 nan 8.310 nan 0.000 0.445 171 G N 0.649 109.099 108.800 -0.584 0.000 2.721 171 G HA2 0.064 4.024 3.960 0.001 0.000 0.686 171 G HA3 0.064 4.024 3.960 0.001 0.000 0.686 171 G C -0.861 173.381 174.900 -1.097 0.000 1.236 171 G CA -0.129 44.263 45.100 -1.180 0.000 0.786 171 G HN 0.760 nan 8.290 nan 0.000 0.616 172 E N -0.602 119.134 120.200 -0.774 0.000 2.429 172 E HA 0.598 4.949 4.350 0.001 0.000 0.276 172 E C -0.710 175.771 176.600 -0.198 0.000 0.953 172 E CA -0.982 55.137 56.400 -0.469 0.000 0.787 172 E CB 2.235 31.722 29.700 -0.355 0.000 1.307 172 E HN 0.682 nan 8.360 nan 0.000 0.458 173 V N 3.626 123.504 119.914 -0.061 0.000 2.284 173 V HA 0.085 4.206 4.120 0.001 0.000 0.260 173 V C 0.906 176.951 176.094 -0.082 0.000 1.084 173 V CA -0.181 62.105 62.300 -0.024 0.000 0.894 173 V CB 0.472 32.341 31.823 0.076 0.000 1.119 173 V HN 0.561 nan 8.190 nan 0.000 0.484 174 V N 1.590 121.420 119.914 -0.139 0.000 3.514 174 V HA 0.799 4.920 4.120 0.001 0.000 0.301 174 V C 0.554 176.596 176.094 -0.087 0.000 1.346 174 V CA 0.535 62.768 62.300 -0.111 0.000 1.156 174 V CB -0.140 31.605 31.823 -0.131 0.000 1.029 174 V HN 0.776 nan 8.190 nan 0.000 0.428 175 A N -0.134 122.624 122.820 -0.102 0.000 2.594 175 A HA 0.810 5.130 4.320 0.001 0.000 0.296 175 A C -0.924 176.607 177.584 -0.087 0.000 1.061 175 A CA -0.394 51.598 52.037 -0.076 0.000 0.689 175 A CB 1.835 20.796 19.000 -0.065 0.000 1.280 175 A HN 0.423 nan 8.150 nan 0.000 0.406 176 E N 0.097 120.266 120.200 -0.051 0.000 2.400 176 E HA 0.575 4.926 4.350 0.001 0.000 0.285 176 E C -1.436 175.144 176.600 -0.033 0.000 1.005 176 E CA -0.117 56.254 56.400 -0.049 0.000 0.816 176 E CB 1.819 31.508 29.700 -0.019 0.000 1.220 176 E HN 1.273 nan 8.360 nan 0.000 0.426 177 S N 3.642 119.319 115.700 -0.039 0.000 2.677 177 S HA 0.745 5.215 4.470 0.001 0.000 0.283 177 S C -0.739 173.846 174.600 -0.024 0.000 1.159 177 S CA -0.990 57.194 58.200 -0.028 0.000 1.001 177 S CB 1.273 64.455 63.200 -0.029 0.000 1.032 177 S HN 0.648 nan 8.310 nan 0.000 0.487 178 R N 1.591 122.080 120.500 -0.019 0.000 2.836 178 R HA 0.613 4.954 4.340 0.001 0.000 0.269 178 R C -0.999 175.290 176.300 -0.019 0.000 1.010 178 R CA -1.243 54.848 56.100 -0.014 0.000 0.930 178 R CB 1.146 31.438 30.300 -0.013 0.000 1.218 178 R HN 0.590 nan 8.270 nan 0.000 0.473 179 R N 1.208 121.696 120.500 -0.021 0.000 2.491 179 R HA 0.035 4.375 4.340 0.001 0.000 0.283 179 R C 0.190 176.470 176.300 -0.033 0.000 1.072 179 R CA -0.147 55.937 56.100 -0.027 0.000 1.048 179 R CB 0.680 30.959 30.300 -0.035 0.000 0.983 179 R HN 0.762 nan 8.270 nan 0.000 0.450 180 E N 1.350 121.531 120.200 -0.031 0.000 2.463 180 E HA -0.161 4.190 4.350 0.001 0.000 0.201 180 E C 0.253 176.827 176.600 -0.044 0.000 1.045 180 E CA 0.695 57.073 56.400 -0.038 0.000 0.872 180 E CB 0.168 29.852 29.700 -0.027 0.000 0.797 180 E HN 0.482 nan 8.360 nan 0.000 0.538 181 D N 0.111 120.488 120.400 -0.039 0.000 2.269 181 D HA -0.022 4.618 4.640 0.001 0.000 0.208 181 D C 0.659 176.930 176.300 -0.049 0.000 0.963 181 D CA 0.749 54.725 54.000 -0.040 0.000 0.864 181 D CB 0.142 40.922 40.800 -0.034 0.000 0.936 181 D HN 0.161 nan 8.370 nan 0.000 0.505 182 L N 0.518 121.709 121.223 -0.054 0.000 2.332 182 L HA 0.390 4.730 4.340 0.001 0.000 0.269 182 L C 0.823 177.620 176.870 -0.121 0.000 1.016 182 L CA -1.236 53.567 54.840 -0.062 0.000 0.809 182 L CB 1.073 43.120 42.059 -0.020 0.000 1.280 182 L HN -0.119 nan 8.230 nan 0.000 0.447 183 E N -0.130 119.961 120.200 -0.182 0.000 2.405 183 E HA 0.352 4.703 4.350 0.001 0.000 0.253 183 E C -0.588 175.756 176.600 -0.426 0.000 1.257 183 E CA -0.737 55.461 56.400 -0.336 0.000 0.960 183 E CB 1.167 30.614 29.700 -0.421 0.000 1.077 183 E HN 0.438 nan 8.360 nan 0.000 0.512 184 S N -0.613 114.698 115.700 -0.648 0.000 2.501 184 S HA 0.343 4.814 4.470 0.001 0.000 0.301 184 S C -1.074 173.081 174.600 -0.742 0.000 1.096 184 S CA -0.694 57.146 58.200 -0.601 0.000 1.063 184 S CB 0.515 63.333 63.200 -0.636 0.000 1.042 184 S HN 0.562 nan 8.310 nan 0.000 0.494 185 Y N 2.831 123.006 120.300 -0.208 0.000 2.612 185 Y HA 0.391 4.942 4.550 0.001 0.000 0.250 185 Y C 0.605 176.514 175.900 0.015 0.000 1.175 185 Y CA -0.486 57.559 58.100 -0.091 0.000 1.205 185 Y CB 0.453 38.916 38.460 0.005 0.000 1.201 185 Y HN 0.467 nan 8.280 nan 0.000 0.532 186 L N 0.753 122.070 121.223 0.156 0.000 2.490 186 L HA 0.220 4.561 4.340 0.001 0.000 0.274 186 L C 1.145 178.186 176.870 0.285 0.000 1.201 186 L CA 1.090 56.058 54.840 0.213 0.000 0.869 186 L CB 0.476 42.685 42.059 0.250 0.000 1.123 186 L HN 0.643 nan 8.230 nan 0.000 0.484 187 G N 3.119 111.990 108.800 0.117 0.000 2.176 187 G HA2 -0.302 3.659 3.960 0.001 0.000 0.252 187 G HA3 -0.302 3.659 3.960 0.001 0.000 0.252 187 G C -0.054 174.901 174.900 0.090 0.000 1.024 187 G CA 0.500 45.612 45.100 0.020 0.000 0.755 187 G HN 0.736 nan 8.290 nan 0.000 0.507 188 Q N 0.160 120.034 119.800 0.123 0.000 2.256 188 Q HA 0.639 4.980 4.340 0.001 0.000 0.254 188 Q C 0.253 176.239 176.000 -0.023 0.000 0.916 188 Q CA -0.516 55.376 55.803 0.148 0.000 0.932 188 Q CB 0.577 29.463 28.738 0.246 0.000 1.207 188 Q HN 0.214 nan 8.270 nan 0.000 0.426 189 R N 4.457 124.894 120.500 -0.104 0.000 2.312 189 R HA 0.235 4.575 4.340 0.001 0.000 0.310 189 R C -1.165 174.862 176.300 -0.456 0.000 1.064 189 R CA -0.466 55.283 56.100 -0.586 0.000 0.983 189 R CB 0.172 29.714 30.300 -1.264 0.000 1.139 189 R HN 0.730 nan 8.270 nan 0.000 0.536 190 Y N 0.763 120.909 120.300 -0.257 0.000 2.419 190 Y HA 0.708 5.258 4.550 0.001 0.000 0.328 190 Y C -2.441 173.420 175.900 -0.065 0.000 1.162 190 Y CA -3.206 54.840 58.100 -0.090 0.000 1.174 190 Y CB 0.464 38.890 38.460 -0.057 0.000 1.228 190 Y HN 0.290 nan 8.280 nan 0.000 0.473 191 P HA 0.199 nan 4.420 nan 0.000 0.289 191 P C 0.011 177.455 177.300 0.240 0.000 1.299 191 P CA -0.104 63.162 63.100 0.276 0.000 0.766 191 P CB 0.803 32.653 31.700 0.249 0.000 1.226 192 A N -0.319 122.604 122.820 0.171 0.000 2.167 192 A HA -0.063 4.258 4.320 0.001 0.000 0.214 192 A C 1.954 179.605 177.584 0.112 0.000 1.151 192 A CA 1.365 53.484 52.037 0.136 0.000 0.735 192 A CB -1.537 17.506 19.000 0.072 0.000 0.802 192 A HN 0.459 nan 8.150 nan 0.000 0.467 193 S N 0.622 116.389 115.700 0.112 0.000 2.355 193 S HA -0.127 4.343 4.470 0.001 0.000 0.222 193 S C 1.381 176.030 174.600 0.081 0.000 1.031 193 S CA 1.179 59.428 58.200 0.081 0.000 0.993 193 S CB -0.385 62.863 63.200 0.079 0.000 0.859 193 S HN 0.571 nan 8.310 nan 0.000 0.453 194 D N 0.872 121.338 120.400 0.109 0.000 2.315 194 D HA -0.004 4.636 4.640 0.001 0.000 0.211 194 D C 0.204 176.506 176.300 0.003 0.000 0.977 194 D CA 0.849 54.875 54.000 0.042 0.000 0.894 194 D CB -0.062 40.721 40.800 -0.028 0.000 0.910 194 D HN 0.364 nan 8.370 nan 0.000 0.490 195 I N 1.163 121.768 120.570 0.058 0.000 2.521 195 I HA 0.196 4.367 4.170 0.001 0.000 0.277 195 I C -2.504 173.612 176.117 -0.003 0.000 1.054 195 I CA -1.951 59.366 61.300 0.028 0.000 1.117 195 I CB 2.384 40.439 38.000 0.092 0.000 1.217 195 I HN -0.364 nan 8.210 nan 0.000 0.469 196 P HA 0.175 nan 4.420 nan 0.000 0.275 196 P C 0.781 178.038 177.300 -0.072 0.000 1.228 196 P CA -0.225 62.851 63.100 -0.040 0.000 0.786 196 P CB 1.156 32.834 31.700 -0.038 0.000 0.927 197 A N 2.114 124.897 122.820 -0.061 0.000 2.009 197 A HA -0.273 4.048 4.320 0.001 0.000 0.222 197 A C 1.970 179.489 177.584 -0.109 0.000 1.175 197 A CA 1.717 53.708 52.037 -0.077 0.000 0.651 197 A CB -1.017 17.949 19.000 -0.057 0.000 0.815 197 A HN 0.577 nan 8.150 nan 0.000 0.459 198 Q N -1.666 118.064 119.800 -0.116 0.000 2.402 198 Q HA 0.236 4.576 4.340 0.001 0.000 0.206 198 Q C 1.986 177.865 176.000 -0.203 0.000 0.919 198 Q CA 0.930 56.636 55.803 -0.161 0.000 0.923 198 Q CB 0.071 28.727 28.738 -0.136 0.000 1.048 198 Q HN 0.636 nan 8.270 nan 0.000 0.515 199 A N 0.412 123.106 122.820 -0.210 0.000 1.956 199 A HA -0.030 4.291 4.320 0.001 0.000 0.212 199 A C 2.070 179.402 177.584 -0.421 0.000 1.188 199 A CA 0.713 52.548 52.037 -0.336 0.000 0.675 199 A CB -0.292 18.523 19.000 -0.309 0.000 0.845 199 A HN 0.249 nan 8.150 nan 0.000 0.455 200 R N -0.758 119.596 120.500 -0.244 0.000 2.075 200 R HA -0.112 4.229 4.340 0.001 0.000 0.232 200 R C 2.260 178.470 176.300 -0.151 0.000 1.126 200 R CA 1.207 57.211 56.100 -0.160 0.000 0.963 200 R CB -0.278 29.934 30.300 -0.146 0.000 0.858 200 R HN 0.225 nan 8.270 nan 0.000 0.435 201 R N 1.201 121.603 120.500 -0.163 0.000 2.117 201 R HA -0.110 4.230 4.340 0.001 0.000 0.243 201 R C 2.137 178.330 176.300 -0.178 0.000 1.143 201 R CA 1.409 57.422 56.100 -0.144 0.000 0.968 201 R CB -0.786 29.428 30.300 -0.144 0.000 0.863 201 R HN 0.379 nan 8.270 nan 0.000 0.444 202 L N -1.291 119.779 121.223 -0.256 0.000 2.109 202 L HA -0.143 4.198 4.340 0.001 0.000 0.207 202 L C 2.107 178.849 176.870 -0.214 0.000 1.086 202 L CA 1.107 55.762 54.840 -0.308 0.000 0.760 202 L CB -0.461 41.362 42.059 -0.393 0.000 0.910 202 L HN 0.227 nan 8.230 nan 0.000 0.437 203 Y N -0.300 119.901 120.300 -0.165 0.000 2.497 203 Y HA -0.177 4.374 4.550 0.001 0.000 0.292 203 Y C 2.343 178.175 175.900 -0.113 0.000 1.137 203 Y CA 0.310 58.331 58.100 -0.132 0.000 1.285 203 Y CB 0.088 38.472 38.460 -0.125 0.000 0.991 203 Y HN 0.199 nan 8.280 nan 0.000 0.556 204 I N -0.812 119.771 120.570 0.021 0.000 2.494 204 I HA -0.206 3.965 4.170 0.001 0.000 0.250 204 I C 1.981 178.072 176.117 -0.044 0.000 1.112 204 I CA 0.846 62.141 61.300 -0.007 0.000 1.438 204 I CB -0.332 37.654 38.000 -0.023 0.000 1.111 204 I HN 0.137 nan 8.210 nan 0.000 0.431 205 Q N 0.704 120.430 119.800 -0.124 0.000 2.224 205 Q HA -0.023 4.317 4.340 0.001 0.000 0.203 205 Q C 0.043 175.890 176.000 -0.255 0.000 0.970 205 Q CA 0.755 56.426 55.803 -0.220 0.000 0.865 205 Q CB 0.126 28.590 28.738 -0.456 0.000 0.922 205 Q HN 0.405 nan 8.270 nan 0.000 0.445 206 N N 0.112 118.694 118.700 -0.196 0.000 2.446 206 N HA 0.146 4.887 4.740 0.001 0.000 0.265 206 N C -2.174 173.327 175.510 -0.014 0.000 0.975 206 N CA -1.473 51.499 53.050 -0.130 0.000 0.928 206 N CB 1.649 40.047 38.487 -0.149 0.000 1.160 206 N HN -0.135 nan 8.380 nan 0.000 0.495 207 P HA -0.075 nan 4.420 nan 0.000 0.213 207 P C 0.503 177.829 177.300 0.044 0.000 1.170 207 P CA 1.137 64.257 63.100 0.033 0.000 0.898 207 P CB 0.307 32.023 31.700 0.026 0.000 0.787 208 I N -2.176 118.412 120.570 0.029 0.000 2.493 208 I HA 0.704 4.875 4.170 0.001 0.000 0.298 208 I C -0.682 175.461 176.117 0.044 0.000 0.998 208 I CA -1.428 59.895 61.300 0.040 0.000 1.137 208 I CB 1.971 39.997 38.000 0.043 0.000 1.310 208 I HN -0.243 nan 8.210 nan 0.000 0.445 209 R N 5.992 126.532 120.500 0.068 0.000 2.532 209 R HA 0.714 5.054 4.340 0.001 0.000 0.297 209 R C -2.363 173.976 176.300 0.064 0.000 0.984 209 R CA -0.669 55.480 56.100 0.082 0.000 0.884 209 R CB 1.343 31.756 30.300 0.189 0.000 1.182 209 R HN 0.921 nan 8.270 nan 0.000 0.442 210 L N 5.898 127.154 121.223 0.055 0.000 2.376 210 L HA 0.620 4.960 4.340 0.001 0.000 0.275 210 L C -1.228 175.659 176.870 0.028 0.000 0.987 210 L CA -0.705 54.163 54.840 0.047 0.000 0.828 210 L CB 1.306 43.400 42.059 0.058 0.000 1.249 210 L HN 0.722 nan 8.230 nan 0.000 0.409 211 I N 5.169 125.745 120.570 0.009 0.000 2.328 211 I HA 0.331 4.501 4.170 0.001 0.000 0.287 211 I C 1.009 177.084 176.117 -0.069 0.000 1.012 211 I CA -0.232 61.045 61.300 -0.038 0.000 1.195 211 I CB 1.889 39.875 38.000 -0.022 0.000 1.350 211 I HN 0.783 nan 8.210 nan 0.000 0.464 212 A N 4.304 127.011 122.820 -0.189 0.000 1.930 212 A HA -0.011 4.309 4.320 0.001 0.000 0.215 212 A C 0.664 178.191 177.584 -0.094 0.000 1.176 212 A CA 1.223 53.117 52.037 -0.238 0.000 0.632 212 A CB 0.019 18.666 19.000 -0.588 0.000 0.819 212 A HN 0.702 nan 8.150 nan 0.000 0.445 213 D N -2.087 118.274 120.400 -0.065 0.000 2.970 213 D HA 0.387 5.028 4.640 0.001 0.000 0.230 213 D C 0.525 176.849 176.300 0.039 0.000 1.276 213 D CA -0.326 53.688 54.000 0.024 0.000 0.910 213 D CB 2.127 42.979 40.800 0.087 0.000 1.590 213 D HN -0.142 nan 8.370 nan 0.000 0.551 214 V N 2.454 122.427 119.914 0.099 0.000 2.379 214 V HA -0.016 4.104 4.120 0.001 0.000 0.243 214 V C 2.168 178.440 176.094 0.298 0.000 1.035 214 V CA 1.772 64.166 62.300 0.158 0.000 1.035 214 V CB -0.387 31.497 31.823 0.101 0.000 0.673 214 V HN 0.706 nan 8.190 nan 0.000 0.457 215 A N 0.168 123.114 122.820 0.209 0.000 2.258 215 A HA 0.050 4.370 4.320 0.001 0.000 0.206 215 A C 0.857 178.553 177.584 0.187 0.000 1.222 215 A CA -0.098 52.039 52.037 0.166 0.000 0.822 215 A CB -1.141 17.918 19.000 0.098 0.000 0.804 215 A HN 0.686 nan 8.150 nan 0.000 0.483 216 Y N -1.063 119.269 120.300 0.053 0.000 2.550 216 Y HA 0.429 4.979 4.550 0.001 0.000 0.343 216 Y C 0.450 176.381 175.900 0.052 0.000 1.245 216 Y CA -0.332 57.803 58.100 0.058 0.000 1.462 216 Y CB -0.211 38.295 38.460 0.077 0.000 1.340 216 Y HN -0.014 nan 8.280 nan 0.000 0.604 217 T N 5.697 120.104 114.554 -0.245 0.000 2.743 217 T HA 0.373 4.723 4.350 0.001 0.000 0.293 217 T C -2.675 171.800 174.700 -0.375 0.000 0.945 217 T CA -2.160 59.742 62.100 -0.330 0.000 1.030 217 T CB -0.139 68.665 68.868 -0.107 0.000 0.912 217 T HN 0.578 nan 8.240 nan 0.000 0.483 218 P HA 0.131 nan 4.420 nan 0.000 0.264 218 P C -0.514 176.761 177.300 -0.041 0.000 1.229 218 P CA -0.210 62.757 63.100 -0.221 0.000 0.780 218 P CB 0.099 31.698 31.700 -0.169 0.000 0.808 219 M N 5.164 124.785 119.600 0.035 0.000 2.775 219 M HA 0.107 4.588 4.480 0.001 0.000 0.313 219 M C 0.216 176.479 176.300 -0.061 0.000 1.429 219 M CA 0.057 55.370 55.300 0.021 0.000 1.494 219 M CB -0.572 32.055 32.600 0.044 0.000 1.274 219 M HN 0.121 nan 8.290 nan 0.000 0.491 220 R N 1.985 122.404 120.500 -0.136 0.000 2.623 220 R HA 0.307 4.647 4.340 0.001 0.000 0.271 220 R C -0.212 175.615 176.300 -0.788 0.000 1.043 220 R CA -0.282 55.586 56.100 -0.387 0.000 1.083 220 R CB -0.000 30.061 30.300 -0.397 0.000 0.974 220 R HN 0.588 nan 8.270 nan 0.000 0.436 221 V N 0.762 120.324 119.914 -0.586 0.000 2.481 221 V HA 0.607 4.727 4.120 0.001 0.000 0.286 221 V C -0.615 175.119 176.094 -0.600 0.000 1.042 221 V CA -0.707 61.282 62.300 -0.519 0.000 0.928 221 V CB 0.675 32.333 31.823 -0.276 0.000 0.986 221 V HN 0.510 nan 8.190 nan 0.000 0.462 222 F N 3.063 123.064 119.950 0.084 0.000 2.563 222 F HA 0.772 5.299 4.527 0.001 0.000 0.316 222 F C -2.410 173.435 175.800 0.075 0.000 1.076 222 F CA -2.914 55.144 58.000 0.097 0.000 0.921 222 F CB 1.619 40.658 39.000 0.065 0.000 1.209 222 F HN 0.321 nan 8.300 nan 0.000 0.462 223 P HA 0.101 nan 4.420 nan 0.000 0.269 223 P C 0.093 177.584 177.300 0.318 0.000 1.215 223 P CA 0.221 63.493 63.100 0.286 0.000 0.780 223 P CB 0.872 32.684 31.700 0.188 0.000 0.898 224 A N 3.418 126.414 122.820 0.293 0.000 1.858 224 A HA -0.048 4.272 4.320 0.001 0.000 0.216 224 A C 0.818 178.481 177.584 0.131 0.000 1.190 224 A CA 1.468 53.636 52.037 0.218 0.000 0.617 224 A CB -0.756 18.332 19.000 0.146 0.000 0.827 224 A HN 0.442 nan 8.150 nan 0.000 0.443 225 L N 0.347 121.635 121.223 0.109 0.000 2.322 225 L HA 0.334 4.674 4.340 0.001 0.000 0.279 225 L C -1.071 175.892 176.870 0.154 0.000 1.036 225 L CA -0.500 54.379 54.840 0.065 0.000 0.807 225 L CB 0.874 42.950 42.059 0.028 0.000 1.226 225 L HN 0.228 nan 8.230 nan 0.000 0.433 226 N N 3.984 122.790 118.700 0.177 0.000 2.415 226 N HA 0.204 4.944 4.740 0.001 0.000 0.246 226 N C -1.683 173.889 175.510 0.103 0.000 1.078 226 N CA -1.522 51.631 53.050 0.172 0.000 0.942 226 N CB 0.910 39.524 38.487 0.212 0.000 1.140 226 N HN 0.276 nan 8.380 nan 0.000 0.501 227 P HA -0.217 nan 4.420 nan 0.000 0.218 227 P C 0.987 178.318 177.300 0.051 0.000 1.152 227 P CA 1.298 64.435 63.100 0.062 0.000 0.857 227 P CB 0.433 32.168 31.700 0.058 0.000 0.787 228 E N -1.322 118.909 120.200 0.051 0.000 2.097 228 E HA -0.196 4.155 4.350 0.001 0.000 0.196 228 E C 2.012 178.637 176.600 0.041 0.000 1.000 228 E CA 1.976 58.401 56.400 0.042 0.000 0.804 228 E CB -1.001 28.723 29.700 0.040 0.000 0.740 228 E HN 0.322 nan 8.360 nan 0.000 0.454 229 T N -1.389 113.195 114.554 0.050 0.000 3.034 229 T HA -0.025 4.326 4.350 0.001 0.000 0.248 229 T C 0.934 175.657 174.700 0.039 0.000 1.040 229 T CA 0.881 63.008 62.100 0.045 0.000 1.107 229 T CB -0.027 68.874 68.868 0.056 0.000 0.932 229 T HN 0.314 nan 8.240 nan 0.000 0.474 230 N N 0.060 118.785 118.700 0.042 0.000 2.901 230 N HA -0.164 4.576 4.740 0.001 0.000 0.248 230 N C -0.836 174.686 175.510 0.020 0.000 1.044 230 N CA 0.708 53.777 53.050 0.032 0.000 0.847 230 N CB -0.562 37.940 38.487 0.026 0.000 1.127 230 N HN 0.529 nan 8.380 nan 0.000 0.562 231 E N 0.071 120.284 120.200 0.022 0.000 2.317 231 E HA 0.430 4.780 4.350 0.001 0.000 0.270 231 E C -0.948 175.633 176.600 -0.033 0.000 0.885 231 E CA -0.394 56.005 56.400 -0.003 0.000 0.760 231 E CB 1.866 31.575 29.700 0.014 0.000 1.227 231 E HN 0.164 nan 8.360 nan 0.000 0.434 232 S N 3.431 119.056 115.700 -0.124 0.000 2.575 232 S HA 0.129 4.600 4.470 0.001 0.000 0.295 232 S C -0.035 174.423 174.600 -0.237 0.000 1.267 232 S CA -0.395 57.609 58.200 -0.327 0.000 1.074 232 S CB -0.531 62.417 63.200 -0.420 0.000 0.829 232 S HN 0.358 nan 8.310 nan 0.000 0.497 233 F N 2.591 122.593 119.950 0.087 0.000 2.626 233 F HA 0.253 4.780 4.527 0.001 0.000 0.354 233 F C 0.699 176.592 175.800 0.155 0.000 1.168 233 F CA -0.864 57.236 58.000 0.168 0.000 1.368 233 F CB 0.244 39.378 39.000 0.222 0.000 1.092 233 F HN 0.386 nan 8.300 nan 0.000 0.612 234 D N 3.341 124.059 120.400 0.529 0.000 2.454 234 D HA 0.207 4.848 4.640 0.001 0.000 0.225 234 D C 0.078 176.492 176.300 0.191 0.000 1.081 234 D CA -0.268 53.961 54.000 0.381 0.000 0.864 234 D CB 0.750 41.896 40.800 0.577 0.000 1.040 234 D HN 0.700 nan 8.370 nan 0.000 0.517 235 L N 2.801 124.085 121.223 0.102 0.000 2.715 235 L HA 0.030 4.370 4.340 0.001 0.000 0.238 235 L C 2.087 178.853 176.870 -0.173 0.000 1.212 235 L CA -0.145 54.632 54.840 -0.105 0.000 1.017 235 L CB -0.092 41.973 42.059 0.011 0.000 1.269 235 L HN 0.228 nan 8.230 nan 0.000 0.452 236 S N -0.457 115.101 115.700 -0.237 0.000 2.359 236 S HA -0.187 4.283 4.470 0.001 0.000 0.224 236 S C 1.389 175.762 174.600 -0.378 0.000 1.035 236 S CA 1.572 59.594 58.200 -0.298 0.000 1.018 236 S CB -0.191 62.774 63.200 -0.391 0.000 0.876 236 S HN 0.518 nan 8.310 nan 0.000 0.448 237 Y N 1.053 121.036 120.300 -0.528 0.000 2.468 237 Y HA 0.339 4.890 4.550 0.001 0.000 0.268 237 Y C 1.204 176.719 175.900 -0.640 0.000 1.177 237 Y CA -0.524 57.248 58.100 -0.546 0.000 1.265 237 Y CB 0.190 38.290 38.460 -0.601 0.000 1.103 237 Y HN 0.097 nan 8.280 nan 0.000 0.522 238 S N -0.179 115.368 115.700 -0.254 0.000 2.572 238 S HA 0.080 4.551 4.470 0.001 0.000 0.279 238 S C 1.121 175.663 174.600 -0.097 0.000 1.341 238 S CA -0.362 57.776 58.200 -0.102 0.000 1.043 238 S CB 1.023 64.146 63.200 -0.128 0.000 0.887 238 S HN 0.147 nan 8.310 nan 0.000 0.516 239 V N 5.088 124.990 119.914 -0.021 0.000 3.307 239 V HA 0.113 4.234 4.120 0.001 0.000 0.253 239 V C 1.380 177.488 176.094 0.023 0.000 1.149 239 V CA 0.724 63.029 62.300 0.009 0.000 1.112 239 V CB -0.420 31.442 31.823 0.066 0.000 0.777 239 V HN 0.828 nan 8.190 nan 0.000 0.464 240 L N 0.079 121.290 121.223 -0.020 0.000 2.640 240 L HA 0.294 4.635 4.340 0.001 0.000 0.230 240 L C 1.239 178.081 176.870 -0.046 0.000 1.123 240 L CA -0.155 54.642 54.840 -0.073 0.000 0.900 240 L CB -0.205 41.762 42.059 -0.155 0.000 1.146 240 L HN 0.213 nan 8.230 nan 0.000 0.484 241 R N 2.354 122.833 120.500 -0.035 0.000 2.566 241 R HA -0.019 4.321 4.340 0.001 0.000 0.273 241 R C 0.627 176.926 176.300 -0.000 0.000 0.981 241 R CA 0.260 56.348 56.100 -0.020 0.000 1.091 241 R CB 0.585 30.858 30.300 -0.046 0.000 0.924 241 R HN 0.290 nan 8.270 nan 0.000 0.411 242 S N 2.636 118.367 115.700 0.052 0.000 2.576 242 S HA 0.165 4.636 4.470 0.001 0.000 0.272 242 S C 0.188 174.833 174.600 0.075 0.000 1.352 242 S CA -0.919 57.355 58.200 0.124 0.000 1.021 242 S CB 1.256 64.581 63.200 0.208 0.000 0.887 242 S HN 0.388 nan 8.310 nan 0.000 0.542 243 V N 1.880 121.866 119.914 0.120 0.000 2.716 243 V HA 0.443 4.563 4.120 0.001 0.000 0.304 243 V C 0.851 177.020 176.094 0.125 0.000 1.053 243 V CA -0.855 61.488 62.300 0.072 0.000 0.984 243 V CB 1.501 33.361 31.823 0.062 0.000 1.021 243 V HN 1.041 nan 8.190 nan 0.000 0.467 244 S N 3.743 119.484 115.700 0.069 0.000 2.546 244 S HA 0.117 4.587 4.470 0.001 0.000 0.290 244 S C -1.401 173.282 174.600 0.139 0.000 1.290 244 S CA -0.718 57.534 58.200 0.086 0.000 1.069 244 S CB 0.762 63.997 63.200 0.057 0.000 0.846 244 S HN 0.639 nan 8.310 nan 0.000 0.495 245 P HA -0.046 nan 4.420 nan 0.000 0.222 245 P C 1.199 178.558 177.300 0.098 0.000 1.147 245 P CA 0.530 63.690 63.100 0.100 0.000 0.790 245 P CB 0.103 31.839 31.700 0.059 0.000 0.780 246 I N -1.372 119.260 120.570 0.103 0.000 2.333 246 I HA -0.169 4.001 4.170 0.001 0.000 0.246 246 I C 2.283 178.489 176.117 0.149 0.000 1.106 246 I CA 1.581 62.944 61.300 0.105 0.000 1.411 246 I CB -1.447 36.609 38.000 0.094 0.000 1.082 246 I HN 0.082 nan 8.210 nan 0.000 0.420 247 H N -0.180 118.932 119.070 0.069 0.000 2.457 247 H HA -0.105 4.451 4.556 0.001 0.000 0.294 247 H C 2.430 177.810 175.328 0.087 0.000 1.064 247 H CA 1.710 57.794 56.048 0.059 0.000 1.330 247 H CB 0.181 29.937 29.762 -0.010 0.000 1.395 247 H HN 0.231 nan 8.280 nan 0.000 0.541 248 C N 0.246 119.639 119.300 0.156 0.000 2.462 248 C HA -0.106 4.355 4.460 0.001 0.000 0.278 248 C C 2.626 177.649 174.990 0.055 0.000 1.253 248 C CA 1.380 60.470 59.018 0.120 0.000 1.713 248 C CB -0.621 27.223 27.740 0.173 0.000 2.049 248 C HN 0.742 nan 8.230 nan 0.000 0.477 249 E N -0.843 119.391 120.200 0.057 0.000 2.160 249 E HA -0.257 4.094 4.350 0.001 0.000 0.195 249 E C 1.882 178.483 176.600 0.001 0.000 0.991 249 E CA 1.287 57.702 56.400 0.024 0.000 0.810 249 E CB -0.261 29.449 29.700 0.017 0.000 0.742 249 E HN 0.748 nan 8.360 nan 0.000 0.466 250 Y N 1.328 121.548 120.300 -0.133 0.000 2.049 250 Y HA -0.256 4.294 4.550 0.001 0.000 0.277 250 Y C 2.095 177.865 175.900 -0.217 0.000 1.143 250 Y CA 1.920 59.904 58.100 -0.193 0.000 1.115 250 Y CB -0.500 37.775 38.460 -0.309 0.000 0.975 250 Y HN 0.018 nan 8.280 nan 0.000 0.487 251 L N -0.753 120.473 121.223 0.005 0.000 2.012 251 L HA -0.254 4.086 4.340 0.001 0.000 0.210 251 L C 2.321 179.171 176.870 -0.033 0.000 1.073 251 L CA 2.165 56.959 54.840 -0.077 0.000 0.748 251 L CB -1.611 40.348 42.059 -0.167 0.000 0.891 251 L HN 0.345 nan 8.230 nan 0.000 0.431 252 T N -3.432 111.115 114.554 -0.012 0.000 3.007 252 T HA -0.089 4.262 4.350 0.001 0.000 0.270 252 T C 1.545 176.236 174.700 -0.015 0.000 1.107 252 T CA 1.111 63.210 62.100 -0.001 0.000 1.118 252 T CB -0.335 68.544 68.868 0.017 0.000 0.889 252 T HN 0.231 nan 8.240 nan 0.000 0.506 253 N N 1.376 120.053 118.700 -0.039 0.000 2.148 253 N HA 0.213 4.953 4.740 0.001 0.000 0.186 253 N C 1.700 177.187 175.510 -0.038 0.000 1.031 253 N CA 0.941 53.953 53.050 -0.062 0.000 0.848 253 N CB -0.443 37.960 38.487 -0.140 0.000 1.005 253 N HN 0.350 nan 8.380 nan 0.000 0.427 254 M N -0.306 119.281 119.600 -0.022 0.000 2.629 254 M HA -0.001 4.480 4.480 0.001 0.000 0.257 254 M C 0.669 176.986 176.300 0.030 0.000 1.071 254 M CA 0.897 56.217 55.300 0.032 0.000 1.077 254 M CB -0.230 32.398 32.600 0.047 0.000 1.423 254 M HN 0.346 nan 8.290 nan 0.000 0.508 255 G N 0.706 109.509 108.800 0.006 0.000 2.160 255 G HA2 -0.206 3.754 3.960 0.001 0.000 0.251 255 G HA3 -0.206 3.754 3.960 0.001 0.000 0.251 255 G C -0.106 174.803 174.900 0.014 0.000 1.008 255 G CA -0.062 45.045 45.100 0.012 0.000 0.724 255 G HN 0.346 nan 8.290 nan 0.000 0.514 256 V N -0.295 119.612 119.914 -0.010 0.000 2.483 256 V HA 0.578 4.699 4.120 0.001 0.000 0.295 256 V C 1.202 177.300 176.094 0.007 0.000 1.035 256 V CA -0.458 61.833 62.300 -0.014 0.000 0.896 256 V CB 1.664 33.401 31.823 -0.143 0.000 0.986 256 V HN 0.344 nan 8.190 nan 0.000 0.447 257 R N 2.187 122.728 120.500 0.067 0.000 2.476 257 R HA 0.640 4.980 4.340 0.001 0.000 0.276 257 R C 0.037 176.401 176.300 0.106 0.000 0.941 257 R CA 0.287 56.436 56.100 0.083 0.000 1.088 257 R CB 1.209 31.563 30.300 0.090 0.000 1.216 257 R HN 0.774 nan 8.270 nan 0.000 0.533 258 A N -0.044 122.865 122.820 0.148 0.000 2.612 258 A HA 0.650 4.971 4.320 0.001 0.000 0.293 258 A C -1.308 176.406 177.584 0.216 0.000 1.075 258 A CA -0.574 51.568 52.037 0.176 0.000 0.680 258 A CB 2.052 21.179 19.000 0.211 0.000 1.279 258 A HN -0.045 nan 8.150 nan 0.000 0.411 259 S N 0.608 116.404 115.700 0.161 0.000 2.543 259 S HA 0.758 5.229 4.470 0.001 0.000 0.271 259 S C -1.171 173.436 174.600 0.012 0.000 1.148 259 S CA -0.340 57.921 58.200 0.101 0.000 0.914 259 S CB 1.071 64.356 63.200 0.142 0.000 1.096 259 S HN 1.303 nan 8.310 nan 0.000 0.471 260 M N 3.970 123.483 119.600 -0.146 0.000 2.378 260 M HA 0.569 5.049 4.480 0.001 0.000 0.289 260 M C -1.551 174.653 176.300 -0.161 0.000 1.136 260 M CA -0.183 55.035 55.300 -0.136 0.000 0.917 260 M CB 2.166 34.653 32.600 -0.188 0.000 1.669 260 M HN 0.758 nan 8.290 nan 0.000 0.461 261 S N 5.597 121.248 115.700 -0.081 0.000 2.789 261 S HA 0.527 4.997 4.470 0.001 0.000 0.286 261 S C -0.833 173.742 174.600 -0.041 0.000 1.153 261 S CA -0.925 57.212 58.200 -0.104 0.000 1.084 261 S CB 0.551 63.614 63.200 -0.229 0.000 1.036 261 S HN 0.596 nan 8.310 nan 0.000 0.484 262 I N 3.254 123.846 120.570 0.037 0.000 2.496 262 I HA 0.307 4.477 4.170 0.001 0.000 0.285 262 I C 0.726 176.954 176.117 0.184 0.000 1.080 262 I CA 0.061 61.445 61.300 0.139 0.000 1.404 262 I CB 0.609 38.727 38.000 0.196 0.000 1.403 262 I HN 0.636 nan 8.210 nan 0.000 0.539 263 S N 6.798 122.582 115.700 0.140 0.000 2.565 263 S HA 0.666 5.136 4.470 0.001 0.000 0.290 263 S C -0.028 174.678 174.600 0.177 0.000 1.150 263 S CA -0.601 57.664 58.200 0.108 0.000 1.058 263 S CB 1.921 65.156 63.200 0.059 0.000 1.032 263 S HN 0.365 nan 8.310 nan 0.000 0.510 264 I N 2.560 123.233 120.570 0.172 0.000 2.382 264 I HA 0.369 4.539 4.170 0.001 0.000 0.285 264 I C -1.118 175.112 176.117 0.188 0.000 1.007 264 I CA -0.686 60.736 61.300 0.203 0.000 1.142 264 I CB 1.471 39.636 38.000 0.276 0.000 1.289 264 I HN 0.230 nan 8.210 nan 0.000 0.453 265 V N 6.949 126.937 119.914 0.124 0.000 2.409 265 V HA 0.345 4.466 4.120 0.001 0.000 0.291 265 V C 0.017 176.150 176.094 0.065 0.000 1.020 265 V CA -0.824 61.537 62.300 0.102 0.000 0.848 265 V CB 1.855 33.718 31.823 0.067 0.000 0.990 265 V HN 0.504 nan 8.190 nan 0.000 0.430 266 V N 2.797 122.760 119.914 0.082 0.000 2.394 266 V HA 0.939 5.060 4.120 0.001 0.000 0.282 266 V C 1.032 177.153 176.094 0.045 0.000 1.031 266 V CA 0.519 62.832 62.300 0.021 0.000 0.881 266 V CB 0.290 32.100 31.823 -0.022 0.000 0.982 266 V HN 1.260 nan 8.190 nan 0.000 0.451 267 G N 4.649 113.463 108.800 0.023 0.000 2.752 267 G HA2 -0.277 3.683 3.960 0.001 0.000 0.349 267 G HA3 -0.277 3.683 3.960 0.001 0.000 0.349 267 G C 0.975 175.897 174.900 0.038 0.000 1.181 267 G CA 0.915 46.033 45.100 0.030 0.000 0.949 267 G HN 2.134 nan 8.290 nan 0.000 0.562 268 G N 0.153 108.980 108.800 0.045 0.000 3.695 268 G HA2 0.509 4.470 3.960 0.001 0.000 0.277 268 G HA3 0.509 4.470 3.960 0.001 0.000 0.277 268 G C 0.285 175.208 174.900 0.039 0.000 1.001 268 G CA 1.082 46.205 45.100 0.038 0.000 0.837 268 G HN 0.736 nan 8.290 nan 0.000 0.492 269 K N 0.593 121.031 120.400 0.064 0.000 2.123 269 K HA 0.527 4.847 4.320 0.001 0.000 0.259 269 K C -0.768 175.872 176.600 0.067 0.000 0.960 269 K CA -0.936 55.391 56.287 0.068 0.000 0.872 269 K CB 1.446 34.023 32.500 0.129 0.000 1.079 269 K HN -0.034 nan 8.250 nan 0.000 0.440 270 L N 5.925 127.136 121.223 -0.020 0.000 2.404 270 L HA 0.155 4.495 4.340 0.001 0.000 0.277 270 L C 0.219 177.102 176.870 0.021 0.000 1.184 270 L CA 0.106 54.904 54.840 -0.071 0.000 1.013 270 L CB -0.368 41.505 42.059 -0.310 0.000 1.318 270 L HN 0.845 nan 8.230 nan 0.000 0.435 271 W N 5.157 126.474 121.300 0.027 0.000 2.402 271 W HA 0.278 4.938 4.660 0.001 0.000 0.286 271 W C 0.948 177.612 176.519 0.241 0.000 1.221 271 W CA 1.206 58.620 57.345 0.114 0.000 1.257 271 W CB 0.336 29.834 29.460 0.063 0.000 1.120 271 W HN 0.599 nan 8.180 nan 0.000 0.551 272 G N -0.259 108.797 108.800 0.427 0.000 2.355 272 G HA2 0.423 4.384 3.960 0.001 0.000 0.296 272 G HA3 0.423 4.384 3.960 0.001 0.000 0.296 272 G C -2.213 172.789 174.900 0.169 0.000 1.507 272 G CA -0.513 44.773 45.100 0.308 0.000 0.823 272 G HN 0.540 nan 8.290 nan 0.000 0.569 273 L N -2.448 118.796 121.223 0.035 0.000 2.518 273 L HA 0.916 5.256 4.340 0.001 0.000 0.257 273 L C -1.555 175.130 176.870 -0.309 0.000 0.980 273 L CA -1.331 53.454 54.840 -0.092 0.000 0.837 273 L CB 1.438 43.492 42.059 -0.008 0.000 1.410 273 L HN 0.412 nan 8.230 nan 0.000 0.410 274 F N 0.817 120.721 119.950 -0.076 0.000 2.350 274 F HA 0.648 5.176 4.527 0.001 0.000 0.365 274 F C 0.945 176.598 175.800 -0.246 0.000 1.122 274 F CA -0.239 57.645 58.000 -0.192 0.000 1.139 274 F CB 1.476 40.384 39.000 -0.155 0.000 1.220 274 F HN 0.671 nan 8.300 nan 0.000 0.499 275 S N 3.138 118.708 115.700 -0.216 0.000 2.499 275 S HA 0.605 5.076 4.470 0.001 0.000 0.279 275 S C -0.819 173.514 174.600 -0.445 0.000 1.219 275 S CA -0.494 57.554 58.200 -0.253 0.000 1.062 275 S CB 0.239 63.376 63.200 -0.106 0.000 0.978 275 S HN 0.699 nan 8.310 nan 0.000 0.489 276 C N 5.473 124.470 119.300 -0.505 0.000 2.356 276 C HA 0.520 4.980 4.460 0.001 0.000 0.324 276 C C -0.113 174.545 174.990 -0.553 0.000 1.167 276 C CA -0.939 57.682 59.018 -0.661 0.000 1.420 276 C CB -1.082 26.053 27.740 -1.009 0.000 2.036 276 C HN 0.975 nan 8.230 nan 0.000 0.435 277 H N 0.189 119.175 119.070 -0.140 0.000 2.496 277 H HA 0.554 5.110 4.556 0.001 0.000 0.342 277 H C -0.524 174.993 175.328 0.314 0.000 1.170 277 H CA -0.346 55.734 56.048 0.054 0.000 1.274 277 H CB 1.183 30.959 29.762 0.023 0.000 1.538 277 H HN 0.769 nan 8.280 nan 0.000 0.542 278 H N 1.449 120.734 119.070 0.358 0.000 3.017 278 H HA 0.095 4.651 4.556 0.001 0.000 0.340 278 H C 0.072 175.482 175.328 0.137 0.000 1.014 278 H CA -0.699 55.501 56.048 0.254 0.000 1.341 278 H CB 0.794 30.695 29.762 0.232 0.000 1.739 278 H HN 0.537 nan 8.280 nan 0.000 0.506 279 M N 1.795 121.399 119.600 0.007 0.000 2.549 279 M HA 0.010 4.490 4.480 0.001 0.000 0.260 279 M C 0.451 176.808 176.300 0.094 0.000 1.076 279 M CA 0.481 55.804 55.300 0.039 0.000 1.090 279 M CB -1.331 31.256 32.600 -0.022 0.000 1.418 279 M HN 0.511 nan 8.290 nan 0.000 0.486 280 S N -0.880 114.951 115.700 0.217 0.000 2.599 280 S HA 0.675 5.146 4.470 0.001 0.000 0.294 280 S C -2.894 171.830 174.600 0.205 0.000 1.094 280 S CA -1.709 56.611 58.200 0.200 0.000 0.931 280 S CB 1.954 65.259 63.200 0.175 0.000 1.093 280 S HN -0.096 nan 8.310 nan 0.000 0.488 281 P HA 0.182 nan 4.420 nan 0.000 0.257 281 P C -0.941 176.311 177.300 -0.079 0.000 1.189 281 P CA 0.347 63.460 63.100 0.022 0.000 0.780 281 P CB 0.064 31.774 31.700 0.018 0.000 0.772 282 K N 3.980 124.291 120.400 -0.149 0.000 2.397 282 K HA 0.593 4.913 4.320 0.001 0.000 0.253 282 K C -1.494 174.974 176.600 -0.221 0.000 0.932 282 K CA -0.880 55.205 56.287 -0.336 0.000 0.795 282 K CB 1.241 33.262 32.500 -0.798 0.000 1.159 282 K HN 0.332 nan 8.250 nan 0.000 0.424 283 L N 5.009 126.106 121.223 -0.210 0.000 2.401 283 L HA 0.561 4.901 4.340 0.001 0.000 0.266 283 L C -1.560 175.241 176.870 -0.115 0.000 0.991 283 L CA -0.957 53.785 54.840 -0.163 0.000 0.818 283 L CB 1.530 43.475 42.059 -0.191 0.000 1.321 283 L HN 0.612 nan 8.230 nan 0.000 0.413 284 I N 5.331 125.872 120.570 -0.048 0.000 2.441 284 I HA 0.499 4.669 4.170 0.001 0.000 0.295 284 I C -2.115 174.018 176.117 0.026 0.000 0.994 284 I CA -2.122 59.182 61.300 0.007 0.000 1.144 284 I CB 1.574 39.635 38.000 0.101 0.000 1.314 284 I HN 0.457 nan 8.210 nan 0.000 0.445 285 P HA -0.035 nan 4.420 nan 0.000 0.267 285 P C 0.325 177.659 177.300 0.057 0.000 1.200 285 P CA 0.076 63.199 63.100 0.039 0.000 0.772 285 P CB 0.365 32.069 31.700 0.007 0.000 0.855 286 Y N 6.212 126.504 120.300 -0.014 0.000 2.097 286 Y HA -0.179 4.371 4.550 0.001 0.000 0.282 286 Y C -0.906 174.952 175.900 -0.070 0.000 1.152 286 Y CA 2.194 60.282 58.100 -0.021 0.000 1.136 286 Y CB -2.034 36.421 38.460 -0.008 0.000 0.975 286 Y HN 0.397 nan 8.280 nan 0.000 0.498 287 P HA -0.173 nan 4.420 nan 0.000 0.221 287 P C 1.601 178.670 177.300 -0.385 0.000 1.145 287 P CA 1.845 64.798 63.100 -0.246 0.000 0.795 287 P CB -0.079 31.579 31.700 -0.070 0.000 0.775 288 V N -0.806 118.912 119.914 -0.327 0.000 2.719 288 V HA -0.084 4.037 4.120 0.001 0.000 0.252 288 V C 2.164 177.926 176.094 -0.553 0.000 1.065 288 V CA 1.470 63.494 62.300 -0.460 0.000 1.086 288 V CB -0.973 30.700 31.823 -0.249 0.000 0.700 288 V HN 0.048 nan 8.190 nan 0.000 0.467 289 R N -0.594 119.720 120.500 -0.309 0.000 2.240 289 R HA 0.163 4.504 4.340 0.001 0.000 0.203 289 R C 2.007 178.137 176.300 -0.283 0.000 1.011 289 R CA 0.648 56.666 56.100 -0.136 0.000 1.007 289 R CB -0.132 30.128 30.300 -0.067 0.000 0.911 289 R HN 0.319 nan 8.270 nan 0.000 0.468 290 M N -0.349 118.952 119.600 -0.498 0.000 2.506 290 M HA 0.070 4.551 4.480 0.001 0.000 0.260 290 M C 2.017 178.051 176.300 -0.444 0.000 1.104 290 M CA 0.950 55.982 55.300 -0.446 0.000 1.112 290 M CB -0.168 32.113 32.600 -0.531 0.000 1.401 290 M HN 0.082 nan 8.290 nan 0.000 0.473 291 S N 0.449 115.767 115.700 -0.637 0.000 2.377 291 S HA -0.050 4.420 4.470 0.001 0.000 0.223 291 S C 1.663 175.775 174.600 -0.812 0.000 1.030 291 S CA 0.900 58.545 58.200 -0.925 0.000 0.970 291 S CB -0.097 62.318 63.200 -1.309 0.000 0.830 291 S HN 0.313 nan 8.310 nan 0.000 0.473 292 F N 2.054 121.769 119.950 -0.391 0.000 2.293 292 F HA 0.215 4.742 4.527 0.001 0.000 0.297 292 F C 2.513 178.230 175.800 -0.138 0.000 1.089 292 F CA 0.773 58.613 58.000 -0.267 0.000 1.377 292 F CB -1.031 37.909 39.000 -0.101 0.000 1.051 292 F HN 0.337 nan 8.300 nan 0.000 0.511 293 Q N 0.543 120.347 119.800 0.007 0.000 2.449 293 Q HA -0.192 4.149 4.340 0.001 0.000 0.214 293 Q C 1.878 177.887 176.000 0.014 0.000 0.986 293 Q CA 1.201 57.008 55.803 0.007 0.000 0.893 293 Q CB -0.313 28.389 28.738 -0.061 0.000 0.940 293 Q HN 0.524 nan 8.270 nan 0.000 0.477 294 I N -0.838 119.716 120.570 -0.028 0.000 2.731 294 I HA -0.127 4.043 4.170 0.001 0.000 0.260 294 I C 1.037 177.265 176.117 0.184 0.000 1.138 294 I CA 0.048 61.365 61.300 0.029 0.000 1.461 294 I CB 0.064 38.050 38.000 -0.023 0.000 1.128 294 I HN 0.189 nan 8.210 nan 0.000 0.438 295 F N 0.468 120.512 119.950 0.158 0.000 2.202 295 F HA -0.230 4.298 4.527 0.001 0.000 0.301 295 F C 2.892 178.726 175.800 0.056 0.000 1.082 295 F CA 1.233 59.282 58.000 0.081 0.000 1.313 295 F CB -1.455 37.573 39.000 0.046 0.000 1.024 295 F HN 0.070 nan 8.300 nan 0.000 0.495 296 S N -0.119 115.743 115.700 0.270 0.000 2.359 296 S HA -0.248 4.222 4.470 0.001 0.000 0.223 296 S C 1.992 176.697 174.600 0.175 0.000 1.039 296 S CA 1.786 60.116 58.200 0.217 0.000 1.042 296 S CB -0.238 63.057 63.200 0.158 0.000 0.915 296 S HN 0.543 nan 8.310 nan 0.000 0.439 297 Q N -0.075 119.805 119.800 0.133 0.000 2.123 297 Q HA -0.007 4.333 4.340 0.001 0.000 0.199 297 Q C 2.371 178.423 176.000 0.087 0.000 0.966 297 Q CA 1.330 57.188 55.803 0.093 0.000 0.845 297 Q CB -0.324 28.454 28.738 0.068 0.000 0.907 297 Q HN 0.466 nan 8.270 nan 0.000 0.439 298 V N 0.892 120.876 119.914 0.117 0.000 2.231 298 V HA -0.364 3.756 4.120 0.001 0.000 0.248 298 V C 2.414 178.545 176.094 0.061 0.000 1.054 298 V CA 1.905 64.261 62.300 0.093 0.000 1.015 298 V CB -0.708 31.197 31.823 0.136 0.000 0.638 298 V HN 0.511 nan 8.190 nan 0.000 0.444 299 C N -0.227 119.128 119.300 0.092 0.000 2.422 299 C HA -0.117 4.343 4.460 0.001 0.000 0.279 299 C C 2.984 177.988 174.990 0.023 0.000 1.305 299 C CA 1.253 60.324 59.018 0.089 0.000 1.757 299 C CB -1.231 26.652 27.740 0.239 0.000 1.962 299 C HN 0.602 nan 8.230 nan 0.000 0.499 300 S N 0.408 116.131 115.700 0.038 0.000 2.555 300 S HA 0.072 4.542 4.470 0.001 0.000 0.230 300 S C 1.720 176.274 174.600 -0.077 0.000 0.978 300 S CA 0.959 59.138 58.200 -0.035 0.000 0.934 300 S CB -0.130 63.082 63.200 0.021 0.000 0.766 300 S HN 0.763 nan 8.310 nan 0.000 0.533 301 A N -0.181 122.613 122.820 -0.044 0.000 2.259 301 A HA 0.372 4.692 4.320 0.001 0.000 0.213 301 A C 1.552 179.101 177.584 -0.058 0.000 1.209 301 A CA 0.041 52.051 52.037 -0.045 0.000 0.910 301 A CB 0.038 19.032 19.000 -0.011 0.000 0.946 301 A HN 0.364 nan 8.150 nan 0.000 0.497 302 I N -0.800 119.733 120.570 -0.062 0.000 2.556 302 I HA -0.007 4.164 4.170 0.001 0.000 0.251 302 I C 2.255 178.303 176.117 -0.115 0.000 1.105 302 I CA 0.804 62.065 61.300 -0.066 0.000 1.436 302 I CB -0.449 37.525 38.000 -0.042 0.000 1.139 302 I HN 0.056 nan 8.210 nan 0.000 0.438 303 V N 1.009 120.818 119.914 -0.176 0.000 2.568 303 V HA -0.284 3.836 4.120 0.001 0.000 0.253 303 V C 2.497 178.363 176.094 -0.379 0.000 1.072 303 V CA 1.869 63.966 62.300 -0.339 0.000 1.084 303 V CB -0.704 30.770 31.823 -0.583 0.000 0.676 303 V HN 0.479 nan 8.190 nan 0.000 0.469 304 E N 1.609 121.647 120.200 -0.270 0.000 2.033 304 E HA -0.248 4.102 4.350 0.001 0.000 0.199 304 E C 2.181 178.690 176.600 -0.151 0.000 1.011 304 E CA 1.825 58.099 56.400 -0.210 0.000 0.815 304 E CB -0.191 29.432 29.700 -0.128 0.000 0.755 304 E HN 0.596 nan 8.360 nan 0.000 0.451 305 R N 0.026 120.461 120.500 -0.108 0.000 2.334 305 R HA 0.114 4.454 4.340 0.001 0.000 0.216 305 R C 1.704 177.967 176.300 -0.063 0.000 0.905 305 R CA 0.083 56.140 56.100 -0.072 0.000 1.064 305 R CB -0.204 30.067 30.300 -0.049 0.000 1.046 305 R HN 0.228 nan 8.270 nan 0.000 0.508 306 L N 1.704 122.877 121.223 -0.082 0.000 2.044 306 L HA -0.018 4.322 4.340 0.001 0.000 0.205 306 L C 2.201 179.049 176.870 -0.037 0.000 1.075 306 L CA 1.724 56.532 54.840 -0.054 0.000 0.747 306 L CB -0.398 41.628 42.059 -0.055 0.000 0.903 306 L HN 0.048 nan 8.230 nan 0.000 0.435 307 E N -0.331 119.834 120.200 -0.059 0.000 2.347 307 E HA -0.208 4.143 4.350 0.001 0.000 0.196 307 E C 1.793 178.385 176.600 -0.014 0.000 1.008 307 E CA 0.711 57.105 56.400 -0.011 0.000 0.852 307 E CB 0.002 29.707 29.700 0.008 0.000 0.783 307 E HN 0.700 nan 8.360 nan 0.000 0.505 308 Q N -0.608 119.170 119.800 -0.036 0.000 2.282 308 Q HA 0.145 4.485 4.340 0.001 0.000 0.206 308 Q C 1.292 177.279 176.000 -0.021 0.000 0.878 308 Q CA 0.661 56.448 55.803 -0.026 0.000 0.944 308 Q CB 0.493 29.210 28.738 -0.034 0.000 1.100 308 Q HN 0.059 nan 8.270 nan 0.000 0.509 309 G N 0.385 109.173 108.800 -0.021 0.000 3.192 309 G HA2 0.060 4.021 3.960 0.001 0.000 0.239 309 G HA3 0.060 4.021 3.960 0.001 0.000 0.239 309 G C 1.131 176.026 174.900 -0.009 0.000 1.084 309 G CA -0.325 44.765 45.100 -0.016 0.000 0.784 309 G HN 0.156 nan 8.290 nan 0.000 0.540 310 R N 0.703 121.201 120.500 -0.004 0.000 2.316 310 R HA 0.146 4.487 4.340 0.001 0.000 0.201 310 R C 2.004 178.305 176.300 0.002 0.000 0.888 310 R CA 0.221 56.322 56.100 0.003 0.000 1.041 310 R CB 0.114 30.422 30.300 0.014 0.000 1.115 310 R HN 0.363 nan 8.270 nan 0.000 0.559 311 I N -1.273 119.297 120.570 -0.000 0.000 3.059 311 I HA 0.118 4.289 4.170 0.001 0.000 0.270 311 I C 1.487 177.598 176.117 -0.011 0.000 1.238 311 I CA 1.189 62.486 61.300 -0.005 0.000 1.478 311 I CB -0.826 37.171 38.000 -0.005 0.000 1.097 311 I HN -0.031 nan 8.210 nan 0.000 0.455 312 A N 1.463 124.276 122.820 -0.010 0.000 2.067 312 A HA -0.124 4.196 4.320 0.001 0.000 0.217 312 A C 2.193 179.770 177.584 -0.011 0.000 1.156 312 A CA 1.310 53.340 52.037 -0.012 0.000 0.683 312 A CB -0.407 18.585 19.000 -0.012 0.000 0.808 312 A HN 0.559 nan 8.150 nan 0.000 0.455 313 E N 0.467 120.661 120.200 -0.009 0.000 2.051 313 E HA -0.060 4.290 4.350 0.001 0.000 0.189 313 E C 1.811 178.406 176.600 -0.009 0.000 0.979 313 E CA 0.930 57.325 56.400 -0.008 0.000 0.803 313 E CB -0.410 29.287 29.700 -0.004 0.000 0.761 313 E HN 0.476 nan 8.360 nan 0.000 0.451 314 L N 0.546 121.763 121.223 -0.009 0.000 2.043 314 L HA -0.181 4.160 4.340 0.001 0.000 0.212 314 L C 2.529 179.388 176.870 -0.018 0.000 1.075 314 L CA 1.010 55.842 54.840 -0.013 0.000 0.752 314 L CB -0.688 41.361 42.059 -0.016 0.000 0.891 314 L HN 0.343 nan 8.230 nan 0.000 0.432 315 L N -0.309 120.903 121.223 -0.019 0.000 2.201 315 L HA -0.172 4.168 4.340 0.001 0.000 0.212 315 L C 2.759 179.619 176.870 -0.018 0.000 1.105 315 L CA 1.317 56.145 54.840 -0.021 0.000 0.775 315 L CB -0.696 41.350 42.059 -0.021 0.000 0.913 315 L HN 0.373 nan 8.230 nan 0.000 0.440 316 R N 0.018 120.509 120.500 -0.015 0.000 2.057 316 R HA -0.114 4.226 4.340 0.001 0.000 0.229 316 R C 2.100 178.392 176.300 -0.013 0.000 1.136 316 R CA 1.761 57.853 56.100 -0.013 0.000 0.952 316 R CB -0.127 30.167 30.300 -0.011 0.000 0.848 316 R HN 0.329 nan 8.270 nan 0.000 0.430 317 V N -1.129 118.779 119.914 -0.011 0.000 3.380 317 V HA 0.038 4.158 4.120 0.001 0.000 0.268 317 V C 1.058 177.147 176.094 -0.008 0.000 1.168 317 V CA 1.706 64.001 62.300 -0.009 0.000 1.156 317 V CB 0.540 32.360 31.823 -0.004 0.000 0.785 317 V HN 0.150 nan 8.190 nan 0.000 0.487 318 S N 0.639 116.331 115.700 -0.012 0.000 2.511 318 S HA 0.063 4.533 4.470 0.001 0.000 0.214 318 S C 1.703 176.296 174.600 -0.013 0.000 0.997 318 S CA 0.847 59.040 58.200 -0.011 0.000 0.908 318 S CB 0.345 63.532 63.200 -0.021 0.000 0.803 318 S HN 0.924 nan 8.310 nan 0.000 0.504 319 T N -1.224 113.320 114.554 -0.015 0.000 3.069 319 T HA 0.273 4.623 4.350 0.001 0.000 0.252 319 T C 1.216 175.905 174.700 -0.018 0.000 1.053 319 T CA 0.168 62.258 62.100 -0.017 0.000 0.964 319 T CB 0.280 69.137 68.868 -0.018 0.000 1.005 319 T HN 0.195 nan 8.240 nan 0.000 0.532 320 E N 2.644 122.834 120.200 -0.017 0.000 2.057 320 E HA 0.036 4.387 4.350 0.001 0.000 0.190 320 E C 2.240 178.823 176.600 -0.027 0.000 0.969 320 E CA 0.468 56.856 56.400 -0.021 0.000 0.812 320 E CB -0.069 29.620 29.700 -0.018 0.000 0.777 320 E HN 0.547 nan 8.360 nan 0.000 0.455 321 R N 0.167 120.653 120.500 -0.024 0.000 2.328 321 R HA 0.107 4.447 4.340 0.001 0.000 0.206 321 R C 1.545 177.831 176.300 -0.024 0.000 0.990 321 R CA 0.395 56.476 56.100 -0.032 0.000 1.085 321 R CB 0.045 30.334 30.300 -0.019 0.000 0.998 321 R HN 0.019 nan 8.270 nan 0.000 0.484 322 R N 0.284 120.772 120.500 -0.020 0.000 2.419 322 R HA 0.163 4.504 4.340 0.001 0.000 0.235 322 R C 1.680 177.963 176.300 -0.028 0.000 0.899 322 R CA -0.031 56.059 56.100 -0.017 0.000 1.048 322 R CB 0.306 30.600 30.300 -0.009 0.000 1.182 322 R HN 0.349 nan 8.270 nan 0.000 0.544 323 L N -0.109 121.096 121.223 -0.030 0.000 2.298 323 L HA 0.253 4.593 4.340 0.001 0.000 0.209 323 L C 2.081 178.928 176.870 -0.039 0.000 1.084 323 L CA 1.044 55.865 54.840 -0.032 0.000 0.816 323 L CB -0.050 41.993 42.059 -0.027 0.000 0.967 323 L HN 0.046 nan 8.230 nan 0.000 0.460 324 A N 0.797 123.588 122.820 -0.048 0.000 1.908 324 A HA -0.182 4.138 4.320 0.001 0.000 0.218 324 A C 2.009 179.555 177.584 -0.062 0.000 1.181 324 A CA 1.834 53.832 52.037 -0.065 0.000 0.627 324 A CB -0.945 17.995 19.000 -0.100 0.000 0.818 324 A HN 0.518 nan 8.150 nan 0.000 0.445 325 L N -1.836 119.353 121.223 -0.058 0.000 2.599 325 L HA 0.340 4.680 4.340 0.001 0.000 0.230 325 L C 1.713 178.554 176.870 -0.049 0.000 1.141 325 L CA 1.752 56.562 54.840 -0.050 0.000 0.877 325 L CB -1.619 40.412 42.059 -0.047 0.000 1.009 325 L HN 0.243 nan 8.230 nan 0.000 0.447 326 A N 0.384 123.177 122.820 -0.045 0.000 2.030 326 A HA 0.043 4.364 4.320 0.001 0.000 0.215 326 A C 2.370 179.933 177.584 -0.034 0.000 1.164 326 A CA 0.422 52.434 52.037 -0.042 0.000 0.697 326 A CB -0.072 18.905 19.000 -0.038 0.000 0.827 326 A HN 0.442 nan 8.150 nan 0.000 0.457 327 R N -0.321 120.162 120.500 -0.030 0.000 2.051 327 R HA 0.041 4.382 4.340 0.001 0.000 0.225 327 R C 2.324 178.615 176.300 -0.015 0.000 1.155 327 R CA 1.229 57.317 56.100 -0.021 0.000 0.945 327 R CB -0.344 29.945 30.300 -0.019 0.000 0.840 327 R HN 0.370 nan 8.270 nan 0.000 0.432 328 R N 0.620 121.112 120.500 -0.013 0.000 2.139 328 R HA -0.122 4.219 4.340 0.001 0.000 0.243 328 R C 2.197 178.499 176.300 0.003 0.000 1.145 328 R CA 1.577 57.681 56.100 0.006 0.000 0.976 328 R CB -0.335 29.977 30.300 0.019 0.000 0.866 328 R HN 0.251 nan 8.270 nan 0.000 0.449 329 A N 0.434 123.245 122.820 -0.015 0.000 1.975 329 A HA 0.009 4.330 4.320 0.001 0.000 0.215 329 A C 1.917 179.488 177.584 -0.022 0.000 1.170 329 A CA 0.618 52.640 52.037 -0.024 0.000 0.656 329 A CB 0.048 19.015 19.000 -0.055 0.000 0.821 329 A HN 0.039 nan 8.150 nan 0.000 0.449 330 R N -0.139 120.347 120.500 -0.023 0.000 2.246 330 R HA 0.003 4.344 4.340 0.001 0.000 0.199 330 R C 0.605 176.900 176.300 -0.009 0.000 0.984 330 R CA 0.787 56.876 56.100 -0.019 0.000 1.015 330 R CB -0.235 30.051 30.300 -0.023 0.000 0.930 330 R HN 0.445 nan 8.270 nan 0.000 0.475 331 D N 0.362 120.760 120.400 -0.004 0.000 2.183 331 D HA -0.050 4.591 4.640 0.001 0.000 0.203 331 D C 1.445 177.748 176.300 0.006 0.000 0.969 331 D CA 1.322 55.323 54.000 0.002 0.000 0.842 331 D CB 0.296 41.099 40.800 0.005 0.000 0.957 331 D HN 0.197 nan 8.370 nan 0.000 0.484 332 A N -0.907 121.918 122.820 0.010 0.000 2.026 332 A HA 0.183 4.503 4.320 0.001 0.000 0.198 332 A C 0.747 178.340 177.584 0.014 0.000 1.390 332 A CA 0.798 52.844 52.037 0.015 0.000 0.915 332 A CB 0.875 19.889 19.000 0.023 0.000 0.974 332 A HN -0.017 nan 8.150 nan 0.000 0.477 333 D N -1.618 118.789 120.400 0.012 0.000 2.578 333 D HA -0.103 4.538 4.640 0.001 0.000 0.179 333 D C -0.960 175.354 176.300 0.022 0.000 0.893 333 D CA 1.141 55.147 54.000 0.009 0.000 0.986 333 D CB -1.004 39.799 40.800 0.005 0.000 1.035 333 D HN 0.353 nan 8.370 nan 0.000 0.473 334 D N 0.137 120.565 120.400 0.047 0.000 2.505 334 D HA 0.342 4.982 4.640 0.001 0.000 0.250 334 D C 1.743 178.124 176.300 0.134 0.000 1.164 334 D CA -0.484 53.575 54.000 0.097 0.000 0.870 334 D CB 0.982 41.850 40.800 0.113 0.000 1.160 334 D HN 0.036 nan 8.370 nan 0.000 0.549 335 L N 2.216 123.489 121.223 0.083 0.000 2.270 335 L HA -0.187 4.154 4.340 0.001 0.000 0.217 335 L C 1.865 178.737 176.870 0.003 0.000 1.107 335 L CA 0.909 55.739 54.840 -0.018 0.000 0.772 335 L CB -0.533 41.424 42.059 -0.170 0.000 0.902 335 L HN 0.404 nan 8.230 nan 0.000 0.439 336 F N 0.704 120.657 119.950 0.006 0.000 2.481 336 F HA -0.136 4.392 4.527 0.001 0.000 0.297 336 F C 2.227 178.040 175.800 0.021 0.000 1.095 336 F CA 1.169 59.182 58.000 0.022 0.000 1.465 336 F CB -0.768 38.249 39.000 0.028 0.000 1.098 336 F HN 0.054 nan 8.300 nan 0.000 0.585 337 G N -0.848 108.045 108.800 0.156 0.000 2.471 337 G HA2 0.019 3.979 3.960 0.001 0.000 0.211 337 G HA3 0.019 3.979 3.960 0.001 0.000 0.211 337 G C 1.874 176.825 174.900 0.085 0.000 1.194 337 G CA 0.521 45.684 45.100 0.105 0.000 0.816 337 G HN 0.352 nan 8.290 nan 0.000 0.545 338 A N 0.599 123.456 122.820 0.061 0.000 1.933 338 A HA 0.125 4.446 4.320 0.001 0.000 0.218 338 A C 2.369 179.991 177.584 0.063 0.000 1.175 338 A CA 1.136 53.212 52.037 0.066 0.000 0.628 338 A CB -0.404 18.605 19.000 0.014 0.000 0.814 338 A HN 0.340 nan 8.150 nan 0.000 0.444 339 L N -1.251 119.977 121.223 0.008 0.000 2.291 339 L HA -0.043 4.297 4.340 0.001 0.000 0.214 339 L C 2.615 179.508 176.870 0.039 0.000 1.120 339 L CA 0.774 55.608 54.840 -0.011 0.000 0.799 339 L CB -0.341 41.655 42.059 -0.105 0.000 0.925 339 L HN 0.402 nan 8.230 nan 0.000 0.446 340 A N -2.155 120.704 122.820 0.066 0.000 2.238 340 A HA -0.033 4.288 4.320 0.001 0.000 0.210 340 A C 0.938 178.583 177.584 0.101 0.000 1.179 340 A CA -0.172 51.912 52.037 0.078 0.000 0.827 340 A CB -0.534 18.510 19.000 0.074 0.000 0.856 340 A HN 0.291 nan 8.150 nan 0.000 0.488 341 H N 1.043 120.133 119.070 0.033 0.000 3.115 341 H HA 0.002 4.558 4.556 0.001 0.000 0.324 341 H C -1.637 173.717 175.328 0.044 0.000 1.007 341 H CA -0.578 55.491 56.048 0.034 0.000 1.385 341 H CB 1.005 30.783 29.762 0.027 0.000 1.351 341 H HN 0.095 nan 8.280 nan 0.000 0.592 342 P HA -0.084 nan 4.420 nan 0.000 0.213 342 P C 0.769 178.194 177.300 0.209 0.000 1.170 342 P CA 1.032 64.212 63.100 0.133 0.000 0.889 342 P CB 0.519 32.242 31.700 0.037 0.000 0.782 343 D N -0.971 119.605 120.400 0.293 0.000 2.201 343 D HA 0.001 4.642 4.640 0.001 0.000 0.209 343 D C 0.393 176.758 176.300 0.109 0.000 0.961 343 D CA 0.991 55.094 54.000 0.171 0.000 0.861 343 D CB -0.676 40.211 40.800 0.144 0.000 0.997 343 D HN 0.240 nan 8.370 nan 0.000 0.486 344 D N -0.794 119.637 120.400 0.051 0.000 2.506 344 D HA 0.538 5.178 4.640 0.001 0.000 0.272 344 D C 0.562 176.890 176.300 0.047 0.000 1.214 344 D CA -0.061 53.915 54.000 -0.039 0.000 1.067 344 D CB 0.695 41.363 40.800 -0.221 0.000 1.117 344 D HN 0.155 nan 8.370 nan 0.000 0.578 345 G N -0.691 108.132 108.800 0.039 0.000 2.705 345 G HA2 -0.177 3.783 3.960 0.001 0.000 0.686 345 G HA3 -0.177 3.783 3.960 0.001 0.000 0.686 345 G C 0.765 175.747 174.900 0.137 0.000 1.285 345 G CA -0.303 44.849 45.100 0.086 0.000 0.800 345 G HN 0.875 nan 8.290 nan 0.000 0.611 346 I N -0.327 120.322 120.570 0.132 0.000 2.147 346 I HA -0.199 3.971 4.170 0.001 0.000 0.245 346 I C 2.615 178.948 176.117 0.359 0.000 1.059 346 I CA 2.894 64.332 61.300 0.229 0.000 1.320 346 I CB -0.574 37.369 38.000 -0.094 0.000 1.021 346 I HN 1.549 nan 8.210 nan 0.000 0.415 347 A N 0.687 123.641 122.820 0.222 0.000 2.032 347 A HA -0.056 4.265 4.320 0.001 0.000 0.221 347 A C 2.381 180.124 177.584 0.266 0.000 1.165 347 A CA 2.375 54.563 52.037 0.253 0.000 0.645 347 A CB -0.880 18.232 19.000 0.186 0.000 0.807 347 A HN 0.779 nan 8.150 nan 0.000 0.453 348 A N -1.648 121.305 122.820 0.222 0.000 2.167 348 A HA 0.396 4.717 4.320 0.001 0.000 0.208 348 A C 1.853 179.525 177.584 0.146 0.000 1.198 348 A CA 0.422 52.559 52.037 0.165 0.000 0.863 348 A CB -0.267 18.807 19.000 0.124 0.000 0.904 348 A HN 0.387 nan 8.150 nan 0.000 0.484 349 L N -0.323 121.014 121.223 0.189 0.000 2.081 349 L HA 0.003 4.343 4.340 0.001 0.000 0.212 349 L C -0.059 176.817 176.870 0.010 0.000 1.080 349 L CA 1.545 56.459 54.840 0.124 0.000 0.754 349 L CB -0.043 42.141 42.059 0.208 0.000 0.893 349 L HN 0.311 nan 8.230 nan 0.000 0.433 350 I N -0.009 120.543 120.570 -0.029 0.000 2.468 350 I HA 0.246 4.417 4.170 0.001 0.000 0.284 350 I C -2.263 173.834 176.117 -0.033 0.000 1.038 350 I CA -1.910 59.258 61.300 -0.219 0.000 1.083 350 I CB 1.821 39.340 38.000 -0.803 0.000 1.223 350 I HN -0.127 nan 8.210 nan 0.000 0.443 351 P HA -0.083 nan 4.420 nan 0.000 0.255 351 P C -0.756 176.588 177.300 0.073 0.000 1.151 351 P CA 0.238 63.361 63.100 0.038 0.000 0.767 351 P CB -0.030 31.665 31.700 -0.008 0.000 0.736 352 C N 1.165 120.544 119.300 0.131 0.000 3.332 352 C HA 0.461 4.921 4.460 0.001 0.000 0.329 352 C C 0.239 175.315 174.990 0.143 0.000 1.434 352 C CA -0.646 58.471 59.018 0.165 0.000 1.314 352 C CB 1.759 29.714 27.740 0.359 0.000 1.664 352 C HN 0.357 nan 8.230 nan 0.000 0.457 353 D N 0.325 120.788 120.400 0.106 0.000 2.402 353 D HA 0.477 5.117 4.640 0.001 0.000 0.216 353 D C 0.639 177.070 176.300 0.219 0.000 1.128 353 D CA 1.148 55.222 54.000 0.124 0.000 0.833 353 D CB 0.961 41.755 40.800 -0.011 0.000 0.971 353 D HN 1.214 nan 8.370 nan 0.000 0.503 354 G N -0.277 108.676 108.800 0.257 0.000 2.316 354 G HA2 0.547 4.508 3.960 0.001 0.000 0.296 354 G HA3 0.547 4.508 3.960 0.001 0.000 0.296 354 G C -1.820 173.318 174.900 0.396 0.000 1.399 354 G CA -0.088 45.276 45.100 0.440 0.000 0.833 354 G HN 0.217 nan 8.290 nan 0.000 0.565 355 A N -0.767 122.351 122.820 0.497 0.000 2.586 355 A HA 0.939 5.259 4.320 0.001 0.000 0.290 355 A C -2.103 175.706 177.584 0.374 0.000 1.086 355 A CA -0.609 51.617 52.037 0.316 0.000 0.665 355 A CB 1.958 21.017 19.000 0.098 0.000 1.279 355 A HN 2.046 nan 8.150 nan 0.000 0.423 356 L N 0.637 121.987 121.223 0.213 0.000 2.505 356 L HA 0.738 5.079 4.340 0.001 0.000 0.259 356 L C -1.630 175.316 176.870 0.127 0.000 0.952 356 L CA -0.419 54.558 54.840 0.227 0.000 0.840 356 L CB 1.826 44.068 42.059 0.304 0.000 1.358 356 L HN 0.665 nan 8.230 nan 0.000 0.409 357 V N 4.957 124.933 119.914 0.104 0.000 2.540 357 V HA 0.606 4.726 4.120 0.001 0.000 0.302 357 V C -0.203 175.976 176.094 0.141 0.000 1.035 357 V CA -0.484 61.841 62.300 0.042 0.000 0.873 357 V CB 1.888 33.600 31.823 -0.184 0.000 0.992 357 V HN 0.834 nan 8.190 nan 0.000 0.428 358 M N 6.606 126.331 119.600 0.209 0.000 2.060 358 M HA 0.654 5.134 4.480 0.001 0.000 0.275 358 M C -2.482 174.015 176.300 0.329 0.000 0.919 358 M CA -0.509 54.973 55.300 0.302 0.000 0.970 358 M CB 1.288 34.078 32.600 0.317 0.000 1.670 358 M HN 0.574 nan 8.290 nan 0.000 0.440 359 L N 5.659 127.165 121.223 0.471 0.000 2.439 359 L HA 0.930 5.270 4.340 0.001 0.000 0.270 359 L C 0.334 177.444 176.870 0.400 0.000 0.972 359 L CA 1.169 56.282 54.840 0.456 0.000 0.836 359 L CB 1.494 43.862 42.059 0.515 0.000 1.255 359 L HN 0.938 nan 8.230 nan 0.000 0.404 360 G N 4.142 113.107 108.800 0.275 0.000 2.565 360 G HA2 -0.293 3.668 3.960 0.001 0.000 0.295 360 G HA3 -0.293 3.668 3.960 0.001 0.000 0.295 360 G C 0.631 175.622 174.900 0.151 0.000 1.165 360 G CA 0.387 45.599 45.100 0.186 0.000 0.977 360 G HN 1.441 nan 8.290 nan 0.000 0.546 361 G N 0.071 108.930 108.800 0.099 0.000 2.709 361 G HA2 0.348 4.309 3.960 0.001 0.000 0.208 361 G HA3 0.348 4.309 3.960 0.001 0.000 0.208 361 G C 0.896 175.834 174.900 0.064 0.000 1.129 361 G CA 0.774 45.914 45.100 0.067 0.000 0.793 361 G HN 0.723 nan 8.290 nan 0.000 0.524 362 R N 0.536 121.056 120.500 0.032 0.000 2.698 362 R HA 0.336 4.676 4.340 0.001 0.000 0.266 362 R C -0.744 175.689 176.300 0.222 0.000 1.026 362 R CA 0.678 56.756 56.100 -0.036 0.000 1.102 362 R CB 0.285 30.255 30.300 -0.551 0.000 0.978 362 R HN -0.005 nan 8.270 nan 0.000 0.436 363 T N 3.458 118.131 114.554 0.198 0.000 3.066 363 T HA 0.213 4.563 4.350 0.001 0.000 0.318 363 T C -0.673 174.161 174.700 0.224 0.000 0.979 363 T CA -0.564 61.676 62.100 0.233 0.000 1.025 363 T CB 0.564 69.491 68.868 0.099 0.000 1.002 363 T HN 0.281 nan 8.240 nan 0.000 0.453 364 L N 4.220 125.634 121.223 0.319 0.000 2.272 364 L HA 0.401 4.742 4.340 0.001 0.000 0.284 364 L C 0.340 177.295 176.870 0.141 0.000 1.045 364 L CA -0.509 54.468 54.840 0.229 0.000 0.842 364 L CB 0.770 43.014 42.059 0.308 0.000 1.224 364 L HN 0.654 nan 8.230 nan 0.000 0.430 365 S N 4.760 120.515 115.700 0.090 0.000 2.409 365 S HA 0.465 4.935 4.470 0.001 0.000 0.308 365 S C -0.117 174.521 174.600 0.062 0.000 1.080 365 S CA -0.743 57.505 58.200 0.081 0.000 1.081 365 S CB 0.129 63.315 63.200 -0.023 0.000 1.009 365 S HN 0.414 nan 8.310 nan 0.000 0.502 366 I N 3.107 123.755 120.570 0.130 0.000 2.471 366 I HA 0.308 4.478 4.170 0.001 0.000 0.286 366 I C 1.356 177.572 176.117 0.165 0.000 1.079 366 I CA -0.480 60.894 61.300 0.123 0.000 1.398 366 I CB 0.175 38.256 38.000 0.135 0.000 1.403 366 I HN 0.781 nan 8.210 nan 0.000 0.530 367 R N 2.798 123.353 120.500 0.092 0.000 3.892 367 R HA -0.138 4.203 4.340 0.001 0.000 0.441 367 R C 0.235 176.525 176.300 -0.018 0.000 1.052 367 R CA 0.588 56.753 56.100 0.108 0.000 1.190 367 R CB -1.529 28.912 30.300 0.234 0.000 1.808 367 R HN 1.101 nan 8.270 nan 0.000 0.538 368 G N -0.343 108.277 108.800 -0.299 0.000 2.339 368 G HA2 0.120 4.080 3.960 0.001 0.000 0.302 368 G HA3 0.120 4.080 3.960 0.001 0.000 0.302 368 G C -1.996 172.264 174.900 -1.068 0.000 1.425 368 G CA -0.551 44.110 45.100 -0.731 0.000 0.899 368 G HN 0.014 nan 8.290 nan 0.000 0.619 369 D N 0.131 120.035 120.400 -0.827 0.000 2.383 369 D HA 0.456 5.096 4.640 0.001 0.000 0.245 369 D C 0.375 176.306 176.300 -0.616 0.000 1.263 369 D CA 0.016 53.685 54.000 -0.552 0.000 0.936 369 D CB -0.280 40.348 40.800 -0.287 0.000 1.053 369 D HN 0.264 nan 8.370 nan 0.000 0.507 370 F N 1.125 120.947 119.950 -0.213 0.000 2.735 370 F HA 0.178 4.705 4.527 0.001 0.000 0.304 370 F C 1.888 177.498 175.800 -0.317 0.000 1.119 370 F CA -0.514 57.240 58.000 -0.410 0.000 1.280 370 F CB 0.515 39.140 39.000 -0.626 0.000 0.994 370 F HN 0.308 nan 8.300 nan 0.000 0.520 371 E N 1.516 121.661 120.200 -0.093 0.000 2.107 371 E HA -0.170 4.180 4.350 0.001 0.000 0.191 371 E C 2.378 178.910 176.600 -0.114 0.000 0.982 371 E CA 0.791 57.131 56.400 -0.100 0.000 0.809 371 E CB 0.188 29.844 29.700 -0.073 0.000 0.756 371 E HN 0.426 nan 8.360 nan 0.000 0.459 372 R N 0.109 120.553 120.500 -0.094 0.000 2.062 372 R HA -0.109 4.231 4.340 0.001 0.000 0.229 372 R C 2.463 178.723 176.300 -0.067 0.000 1.128 372 R CA 1.380 57.440 56.100 -0.066 0.000 0.960 372 R CB 0.001 30.276 30.300 -0.041 0.000 0.855 372 R HN 0.186 nan 8.270 nan 0.000 0.432 373 Q N 0.026 119.761 119.800 -0.109 0.000 2.061 373 Q HA -0.147 4.194 4.340 0.001 0.000 0.204 373 Q C 2.107 178.014 176.000 -0.156 0.000 0.984 373 Q CA 1.733 57.456 55.803 -0.133 0.000 0.846 373 Q CB -0.221 28.337 28.738 -0.301 0.000 0.902 373 Q HN 0.466 nan 8.270 nan 0.000 0.421 374 A N 0.772 123.443 122.820 -0.248 0.000 2.076 374 A HA -0.102 4.218 4.320 0.001 0.000 0.220 374 A C 2.239 179.620 177.584 -0.338 0.000 1.160 374 A CA 1.613 53.338 52.037 -0.520 0.000 0.653 374 A CB -0.875 17.609 19.000 -0.859 0.000 0.801 374 A HN 0.481 nan 8.150 nan 0.000 0.455 375 G N -0.043 108.649 108.800 -0.181 0.000 2.408 375 G HA2 -0.234 3.726 3.960 0.001 0.000 0.217 375 G HA3 -0.234 3.726 3.960 0.001 0.000 0.217 375 G C 1.340 176.220 174.900 -0.034 0.000 1.150 375 G CA 1.137 46.177 45.100 -0.100 0.000 0.776 375 G HN 0.591 nan 8.290 nan 0.000 0.542 376 N N 0.180 118.905 118.700 0.042 0.000 2.250 376 N HA -0.045 4.696 4.740 0.001 0.000 0.181 376 N C 2.159 177.811 175.510 0.237 0.000 1.017 376 N CA 0.809 53.970 53.050 0.186 0.000 0.866 376 N CB -0.325 38.401 38.487 0.398 0.000 0.985 376 N HN 0.171 nan 8.380 nan 0.000 0.429 377 V N 0.559 120.558 119.914 0.141 0.000 2.759 377 V HA -0.084 4.037 4.120 0.001 0.000 0.256 377 V C 1.934 177.989 176.094 -0.064 0.000 1.080 377 V CA 0.973 63.339 62.300 0.110 0.000 1.101 377 V CB -0.389 31.469 31.823 0.057 0.000 0.698 377 V HN 0.218 nan 8.190 nan 0.000 0.477 378 L N -0.561 120.590 121.223 -0.120 0.000 2.375 378 L HA 0.026 4.367 4.340 0.001 0.000 0.215 378 L C 2.394 179.191 176.870 -0.122 0.000 1.108 378 L CA 1.325 56.026 54.840 -0.232 0.000 0.830 378 L CB -0.250 41.644 42.059 -0.274 0.000 0.959 378 L HN 0.325 nan 8.230 nan 0.000 0.457 379 Q N -0.368 119.399 119.800 -0.054 0.000 2.123 379 Q HA -0.218 4.122 4.340 0.001 0.000 0.199 379 Q C 2.023 178.002 176.000 -0.035 0.000 0.966 379 Q CA 1.208 56.994 55.803 -0.028 0.000 0.845 379 Q CB 0.031 28.768 28.738 -0.001 0.000 0.907 379 Q HN 0.352 nan 8.270 nan 0.000 0.439 380 R N -0.256 120.223 120.500 -0.034 0.000 2.319 380 R HA 0.109 4.449 4.340 0.001 0.000 0.204 380 R C 0.886 177.110 176.300 -0.127 0.000 0.954 380 R CA -0.002 56.056 56.100 -0.070 0.000 1.066 380 R CB 0.285 30.550 30.300 -0.058 0.000 0.991 380 R HN 0.257 nan 8.270 nan 0.000 0.486 381 L N 0.732 121.881 121.223 -0.124 0.000 2.818 381 L HA 0.153 4.493 4.340 0.001 0.000 0.243 381 L C 0.547 177.403 176.870 -0.022 0.000 1.185 381 L CA 0.491 55.272 54.840 -0.099 0.000 0.988 381 L CB 0.712 42.681 42.059 -0.151 0.000 1.292 381 L HN 0.256 nan 8.230 nan 0.000 0.519 382 Q N -0.599 119.185 119.800 -0.026 0.000 2.396 382 Q HA 0.107 4.447 4.340 0.001 0.000 0.209 382 Q C 1.810 177.809 176.000 -0.003 0.000 0.906 382 Q CA 0.312 56.113 55.803 -0.004 0.000 0.927 382 Q CB 0.446 29.179 28.738 -0.008 0.000 1.069 382 Q HN 0.465 nan 8.270 nan 0.000 0.523 383 R N 0.585 121.076 120.500 -0.015 0.000 2.119 383 R HA 0.013 4.353 4.340 0.001 0.000 0.222 383 R C 0.040 176.339 176.300 -0.001 0.000 1.088 383 R CA 0.691 56.785 56.100 -0.011 0.000 0.984 383 R CB 0.230 30.518 30.300 -0.020 0.000 0.884 383 R HN 0.009 nan 8.270 nan 0.000 0.447 384 D N 1.619 122.019 120.400 0.001 0.000 2.518 384 D HA 0.227 4.867 4.640 0.001 0.000 0.230 384 D C -2.445 173.879 176.300 0.041 0.000 1.138 384 D CA -1.857 52.155 54.000 0.021 0.000 0.964 384 D CB 1.222 42.037 40.800 0.025 0.000 1.011 384 D HN -0.024 nan 8.370 nan 0.000 0.517 385 P HA 0.236 nan 4.420 nan 0.000 0.278 385 P C 0.064 177.386 177.300 0.037 0.000 1.238 385 P CA -0.144 62.983 63.100 0.044 0.000 0.794 385 P CB 0.941 32.658 31.700 0.029 0.000 0.955 386 E N -0.747 119.474 120.200 0.035 0.000 3.927 386 E HA -0.176 4.174 4.350 0.001 0.000 0.330 386 E C -0.196 176.417 176.600 0.022 0.000 0.751 386 E CA 0.768 57.176 56.400 0.013 0.000 1.254 386 E CB -1.409 28.295 29.700 0.006 0.000 1.643 386 E HN 0.347 nan 8.360 nan 0.000 0.430 387 R N 0.992 121.525 120.500 0.055 0.000 2.419 387 R HA 0.126 4.467 4.340 0.001 0.000 0.305 387 R C -0.205 176.146 176.300 0.086 0.000 1.242 387 R CA -0.054 56.092 56.100 0.076 0.000 1.105 387 R CB 0.130 30.492 30.300 0.103 0.000 1.116 387 R HN 0.062 nan 8.270 nan 0.000 0.523 388 D N 1.383 121.784 120.400 0.000 0.000 2.352 388 D HA 0.144 4.784 4.640 0.001 0.000 0.232 388 D C 0.226 176.480 176.300 -0.076 0.000 1.055 388 D CA 0.717 54.648 54.000 -0.113 0.000 0.891 388 D CB 0.270 40.989 40.800 -0.136 0.000 0.897 388 D HN 0.394 nan 8.370 nan 0.000 0.529 389 I N -0.844 119.765 120.570 0.065 0.000 2.913 389 I HA 0.376 4.546 4.170 0.001 0.000 0.302 389 I C -1.572 174.689 176.117 0.240 0.000 1.246 389 I CA -1.337 60.030 61.300 0.113 0.000 1.010 389 I CB 2.605 40.640 38.000 0.058 0.000 1.259 389 I HN -0.277 nan 8.210 nan 0.000 0.434 390 Y N 5.304 125.642 120.300 0.064 0.000 2.474 390 Y HA 0.491 5.042 4.550 0.001 0.000 0.326 390 Y C -1.632 174.276 175.900 0.014 0.000 1.160 390 Y CA -0.544 57.572 58.100 0.028 0.000 1.056 390 Y CB 1.272 39.759 38.460 0.045 0.000 1.330 390 Y HN 0.638 nan 8.280 nan 0.000 0.447 391 H N 2.583 121.142 119.070 -0.853 0.000 3.037 391 H HA 0.764 5.320 4.556 0.001 0.000 0.355 391 H C -1.861 173.124 175.328 -0.573 0.000 1.263 391 H CA -0.636 54.936 56.048 -0.793 0.000 1.129 391 H CB 2.319 31.717 29.762 -0.606 0.000 1.861 391 H HN 0.773 nan 8.280 nan 0.000 0.546 392 T N 0.484 114.995 114.554 -0.072 0.000 2.886 392 T HA 0.165 4.515 4.350 0.001 0.000 0.330 392 T C -0.860 174.016 174.700 0.293 0.000 1.488 392 T CA -0.329 61.826 62.100 0.092 0.000 1.054 392 T CB 1.299 70.231 68.868 0.107 0.000 1.348 392 T HN 0.736 nan 8.240 nan 0.000 0.489 393 D N 1.791 122.309 120.400 0.198 0.000 2.369 393 D HA 0.213 4.854 4.640 0.001 0.000 0.211 393 D C -0.025 176.290 176.300 0.025 0.000 1.077 393 D CA -0.065 54.003 54.000 0.112 0.000 0.842 393 D CB -0.078 40.795 40.800 0.122 0.000 0.947 393 D HN 0.516 nan 8.370 nan 0.000 0.509 394 N N -0.717 118.017 118.700 0.057 0.000 2.329 394 N HA 0.570 5.311 4.740 0.001 0.000 0.282 394 N C -1.412 174.254 175.510 0.260 0.000 1.198 394 N CA -0.969 52.095 53.050 0.024 0.000 0.790 394 N CB 2.145 40.510 38.487 -0.203 0.000 1.579 394 N HN 0.082 nan 8.380 nan 0.000 0.475 409 C N 1.412 120.796 119.300 0.140 0.000 2.780 409 C HA 0.625 5.085 4.460 0.001 0.000 0.287 409 C C 1.153 176.251 174.990 0.179 0.000 1.288 409 C CA 0.294 59.434 59.018 0.203 0.000 1.713 409 C CB -1.316 26.521 27.740 0.163 0.000 1.955 409 C HN 1.066 nan 8.230 nan 0.000 0.613 410 G N 0.664 109.551 108.800 0.145 0.000 2.422 410 G HA2 0.606 4.567 3.960 0.001 0.000 0.317 410 G HA3 0.606 4.567 3.960 0.001 0.000 0.317 410 G C -1.136 173.951 174.900 0.311 0.000 1.210 410 G CA -0.110 45.111 45.100 0.202 0.000 0.930 410 G HN 0.297 nan 8.290 nan 0.000 0.468 411 V N 3.497 123.628 119.914 0.361 0.000 2.623 411 V HA 0.534 4.654 4.120 0.001 0.000 0.304 411 V C -0.502 175.486 176.094 -0.177 0.000 1.054 411 V CA -0.759 61.553 62.300 0.019 0.000 0.882 411 V CB 1.916 33.713 31.823 -0.043 0.000 1.002 411 V HN 0.720 nan 8.190 nan 0.000 0.424 412 L N 4.281 125.259 121.223 -0.408 0.000 2.404 412 L HA 0.932 5.273 4.340 0.001 0.000 0.272 412 L C -0.466 176.272 176.870 -0.219 0.000 0.980 412 L CA -0.323 54.137 54.840 -0.633 0.000 0.836 412 L CB 1.606 42.757 42.059 -1.512 0.000 1.238 412 L HN 0.817 nan 8.230 nan 0.000 0.408 413 A N 6.592 129.298 122.820 -0.191 0.000 2.374 413 A HA 0.785 5.106 4.320 0.001 0.000 0.305 413 A C -1.003 176.610 177.584 0.049 0.000 1.053 413 A CA -0.582 51.327 52.037 -0.214 0.000 0.726 413 A CB 1.444 20.165 19.000 -0.465 0.000 1.229 413 A HN 0.718 nan 8.150 nan 0.000 0.431 414 I N -0.886 119.680 120.570 -0.006 0.000 2.689 414 I HA 0.771 4.942 4.170 0.001 0.000 0.299 414 I C -0.398 175.393 176.117 -0.544 0.000 1.059 414 I CA -0.940 60.275 61.300 -0.142 0.000 1.055 414 I CB 2.153 40.135 38.000 -0.030 0.000 1.243 414 I HN 0.674 nan 8.210 nan 0.000 0.425 415 R N 4.549 124.538 120.500 -0.853 0.000 2.320 415 R HA 0.410 4.751 4.340 0.001 0.000 0.319 415 R C -0.348 175.551 176.300 -0.668 0.000 0.969 415 R CA -0.570 54.722 56.100 -1.347 0.000 0.857 415 R CB 0.858 30.108 30.300 -1.750 0.000 1.160 415 R HN 0.865 nan 8.270 nan 0.000 0.491 416 F N 0.586 120.307 119.950 -0.381 0.000 2.746 416 F HA 0.355 4.882 4.527 0.001 0.000 0.297 416 F C 0.035 175.804 175.800 -0.052 0.000 1.113 416 F CA -0.560 57.333 58.000 -0.177 0.000 1.367 416 F CB 0.275 39.202 39.000 -0.122 0.000 1.111 416 F HN 0.376 nan 8.300 nan 0.000 0.590 417 H N 0.341 119.248 119.070 -0.271 0.000 2.966 417 H HA 0.491 5.047 4.556 0.001 0.000 0.347 417 H C 0.364 175.585 175.328 -0.178 0.000 1.048 417 H CA -1.299 54.697 56.048 -0.086 0.000 1.295 417 H CB 1.415 31.246 29.762 0.114 0.000 1.744 417 H HN -0.051 nan 8.280 nan 0.000 0.513 418 R N 1.976 122.178 120.500 -0.497 0.000 2.052 418 R HA -0.012 4.329 4.340 0.001 0.000 0.224 418 R C 1.620 177.741 176.300 -0.300 0.000 1.149 418 R CA 0.820 56.721 56.100 -0.331 0.000 0.962 418 R CB 0.039 30.199 30.300 -0.232 0.000 0.856 418 R HN 0.670 nan 8.270 nan 0.000 0.433 419 Q N 1.073 120.615 119.800 -0.430 0.000 2.029 419 Q HA -0.169 4.172 4.340 0.001 0.000 0.209 419 Q C 0.021 175.983 176.000 -0.063 0.000 0.999 419 Q CA 1.435 57.117 55.803 -0.201 0.000 0.857 419 Q CB -0.089 28.563 28.738 -0.144 0.000 0.926 419 Q HN 0.402 nan 8.270 nan 0.000 0.415 420 E N 0.922 121.133 120.200 0.017 0.000 2.227 420 E HA 0.193 4.543 4.350 0.001 0.000 0.282 420 E C -0.863 175.839 176.600 0.170 0.000 1.015 420 E CA -0.354 56.168 56.400 0.202 0.000 0.823 420 E CB 1.342 31.272 29.700 0.384 0.000 1.081 420 E HN -0.019 nan 8.360 nan 0.000 0.396 421 S N 2.268 118.068 115.700 0.166 0.000 2.611 421 S HA 0.111 4.582 4.470 0.001 0.000 0.317 421 S C 0.176 174.895 174.600 0.199 0.000 1.208 421 S CA -0.256 58.077 58.200 0.221 0.000 1.217 421 S CB -0.099 63.248 63.200 0.245 0.000 1.085 421 S HN 0.582 nan 8.310 nan 0.000 0.529 422 G N 3.100 111.862 108.800 -0.063 0.000 2.533 422 G HA2 0.590 4.551 3.960 0.001 0.000 0.310 422 G HA3 0.590 4.551 3.960 0.001 0.000 0.310 422 G C -1.113 173.064 174.900 -1.204 0.000 1.266 422 G CA -0.659 44.093 45.100 -0.579 0.000 0.967 422 G HN 0.610 nan 8.290 nan 0.000 0.493 423 W N 0.919 121.768 121.300 -0.752 0.000 3.038 423 W HA 0.740 5.400 4.660 0.001 0.000 0.347 423 W C -0.553 175.869 176.519 -0.161 0.000 1.219 423 W CA -0.764 56.317 57.345 -0.440 0.000 1.142 423 W CB 2.029 31.458 29.460 -0.051 0.000 1.484 423 W HN 0.246 nan 8.180 nan 0.000 0.586 424 I N 1.785 122.408 120.570 0.088 0.000 2.680 424 I HA 0.326 4.497 4.170 0.001 0.000 0.291 424 I C -1.610 174.268 176.117 -0.399 0.000 1.244 424 I CA -0.701 60.557 61.300 -0.071 0.000 1.042 424 I CB 1.607 39.514 38.000 -0.156 0.000 1.277 424 I HN 0.115 nan 8.210 nan 0.000 0.423 425 F N 4.462 124.150 119.950 -0.436 0.000 2.520 425 F HA 0.590 5.117 4.527 0.001 0.000 0.322 425 F C -0.947 174.400 175.800 -0.756 0.000 1.103 425 F CA -0.526 57.152 58.000 -0.536 0.000 0.926 425 F CB 1.726 40.517 39.000 -0.349 0.000 1.154 425 F HN 0.241 nan 8.300 nan 0.000 0.453 426 W N 2.729 123.804 121.300 -0.375 0.000 2.819 426 W HA 0.770 5.430 4.660 0.001 0.000 0.337 426 W C -1.667 174.594 176.519 -0.429 0.000 1.077 426 W CA -1.391 55.827 57.345 -0.211 0.000 1.226 426 W CB 0.722 30.170 29.460 -0.021 0.000 1.419 426 W HN 0.160 nan 8.180 nan 0.000 0.502 427 F N 1.286 121.333 119.950 0.162 0.000 2.611 427 F HA 0.775 5.303 4.527 0.001 0.000 0.324 427 F C 0.446 176.168 175.800 -0.131 0.000 1.061 427 F CA -1.414 56.543 58.000 -0.072 0.000 0.954 427 F CB 1.923 40.586 39.000 -0.562 0.000 1.301 427 F HN 0.109 nan 8.300 nan 0.000 0.482 428 R N -0.027 120.454 120.500 -0.031 0.000 2.799 428 R HA 0.469 4.809 4.340 0.001 0.000 0.270 428 R C -1.265 174.863 176.300 -0.286 0.000 1.010 428 R CA -1.163 54.800 56.100 -0.229 0.000 0.916 428 R CB 2.335 32.483 30.300 -0.252 0.000 1.228 428 R HN 0.615 nan 8.270 nan 0.000 0.469 429 H N 0.859 119.942 119.070 0.021 0.000 2.669 429 H HA 0.242 4.799 4.556 0.001 0.000 0.318 429 H C -0.238 175.098 175.328 0.012 0.000 1.429 429 H CA -0.756 55.311 56.048 0.031 0.000 1.460 429 H CB 0.682 30.471 29.762 0.045 0.000 1.784 429 H HN 0.409 nan 8.280 nan 0.000 0.750 430 E N 0.907 121.209 120.200 0.169 0.000 2.459 430 E HA -0.070 4.280 4.350 0.001 0.000 0.264 430 E C -0.040 176.612 176.600 0.086 0.000 1.055 430 E CA 0.315 56.765 56.400 0.084 0.000 0.957 430 E CB 0.388 30.117 29.700 0.048 0.000 0.952 430 E HN 0.389 nan 8.360 nan 0.000 0.448 431 E N 1.264 121.501 120.200 0.063 0.000 2.328 431 E HA 0.082 4.432 4.350 0.001 0.000 0.265 431 E C -0.814 175.888 176.600 0.171 0.000 1.057 431 E CA -0.443 56.025 56.400 0.113 0.000 0.916 431 E CB 0.334 30.127 29.700 0.155 0.000 0.993 431 E HN 0.325 nan 8.360 nan 0.000 0.446 432 V N 3.236 123.254 119.914 0.173 0.000 2.432 432 V HA 0.182 4.302 4.120 0.001 0.000 0.275 432 V C 0.061 176.320 176.094 0.275 0.000 1.043 432 V CA -0.875 61.543 62.300 0.197 0.000 0.925 432 V CB 1.042 32.943 31.823 0.131 0.000 0.985 432 V HN 0.654 nan 8.190 nan 0.000 0.466 433 H N 4.685 123.901 119.070 0.243 0.000 3.226 433 H HA 0.107 4.663 4.556 0.001 0.000 0.260 433 H C 1.383 176.773 175.328 0.104 0.000 0.967 433 H CA 0.812 57.006 56.048 0.245 0.000 1.435 433 H CB 0.299 30.277 29.762 0.360 0.000 1.533 433 H HN 0.817 nan 8.280 nan 0.000 0.525 434 R N 4.587 125.026 120.500 -0.103 0.000 2.097 434 R HA -0.099 4.242 4.340 0.001 0.000 0.236 434 R C 0.294 176.436 176.300 -0.263 0.000 1.135 434 R CA 1.970 57.977 56.100 -0.153 0.000 0.934 434 R CB -0.122 30.096 30.300 -0.136 0.000 0.846 434 R HN 0.744 nan 8.270 nan 0.000 0.431 435 I N -0.753 119.537 120.570 -0.466 0.000 2.466 435 I HA 0.459 4.629 4.170 0.001 0.000 0.289 435 I C -0.883 174.913 176.117 -0.535 0.000 1.026 435 I CA -0.971 60.059 61.300 -0.450 0.000 1.078 435 I CB 2.178 39.942 38.000 -0.394 0.000 1.249 435 I HN -0.011 nan 8.210 nan 0.000 0.429 436 R N 3.985 124.266 120.500 -0.365 0.000 2.902 436 R HA 0.675 5.015 4.340 0.001 0.000 0.258 436 R C -1.714 174.389 176.300 -0.329 0.000 1.071 436 R CA -0.655 55.347 56.100 -0.164 0.000 1.024 436 R CB 1.909 32.232 30.300 0.039 0.000 1.184 436 R HN 0.612 nan 8.270 nan 0.000 0.492 437 W N -0.788 120.469 121.300 -0.071 0.000 2.799 437 W HA 0.698 5.358 4.660 0.001 0.000 0.349 437 W C -0.003 176.486 176.519 -0.051 0.000 1.100 437 W CA -0.396 56.907 57.345 -0.070 0.000 1.174 437 W CB 2.393 31.796 29.460 -0.094 0.000 1.427 437 W HN 0.767 nan 8.180 nan 0.000 0.547 438 G N -0.181 108.753 108.800 0.223 0.000 2.547 438 G HA2 0.625 4.585 3.960 0.001 0.000 0.291 438 G HA3 0.625 4.585 3.960 0.001 0.000 0.291 438 G C -0.900 174.062 174.900 0.104 0.000 1.471 438 G CA 0.077 45.248 45.100 0.119 0.000 0.798 438 G HN 1.222 nan 8.290 nan 0.000 0.504 447 I N 2.581 123.133 120.570 -0.031 0.000 2.872 447 I HA 0.631 4.802 4.170 0.001 0.000 0.291 447 I C 0.598 176.694 176.117 -0.035 0.000 1.216 447 I CA 0.009 61.286 61.300 -0.038 0.000 1.424 447 I CB 0.300 38.283 38.000 -0.028 0.000 1.351 447 I HN 0.693 nan 8.210 nan 0.000 0.592 448 G N 4.017 112.792 108.800 -0.043 0.000 2.511 448 G HA2 0.596 4.556 3.960 0.001 0.000 0.318 448 G HA3 0.596 4.556 3.960 0.001 0.000 0.318 448 G C -2.143 172.742 174.900 -0.025 0.000 1.210 448 G CA -1.286 43.794 45.100 -0.033 0.000 0.969 448 G HN 0.516 nan 8.290 nan 0.000 0.484 449 P HA -0.057 nan 4.420 nan 0.000 0.215 449 P C 1.956 179.250 177.300 -0.010 0.000 1.157 449 P CA 1.060 64.154 63.100 -0.010 0.000 0.863 449 P CB 0.302 31.999 31.700 -0.005 0.000 0.787 450 S N -1.401 114.293 115.700 -0.010 0.000 2.595 450 S HA 0.268 4.739 4.470 0.001 0.000 0.235 450 S C 0.865 175.458 174.600 -0.011 0.000 0.974 450 S CA 0.806 59.003 58.200 -0.006 0.000 0.942 450 S CB -1.208 61.992 63.200 0.001 0.000 0.766 450 S HN 0.444 nan 8.310 nan 0.000 0.536 451 G N 0.631 109.419 108.800 -0.020 0.000 2.479 451 G HA2 -0.063 3.897 3.960 0.001 0.000 0.686 451 G HA3 -0.063 3.897 3.960 0.001 0.000 0.686 451 G C -2.836 172.040 174.900 -0.039 0.000 1.295 451 G CA -0.474 44.613 45.100 -0.021 0.000 0.922 451 G HN 0.125 nan 8.290 nan 0.000 0.582 452 P HA 0.161 nan 4.420 nan 0.000 0.251 452 P C 1.507 178.776 177.300 -0.051 0.000 1.223 452 P CA 0.067 63.140 63.100 -0.045 0.000 0.796 452 P CB 0.278 31.966 31.700 -0.021 0.000 1.068 453 R N 0.480 120.961 120.500 -0.032 0.000 2.357 453 R HA 0.017 4.357 4.340 0.001 0.000 0.202 453 R C 1.063 177.335 176.300 -0.047 0.000 1.047 453 R CA 0.481 56.573 56.100 -0.013 0.000 1.034 453 R CB -0.920 29.387 30.300 0.011 0.000 0.875 453 R HN 0.241 nan 8.270 nan 0.000 0.473 454 L N 0.821 121.957 121.223 -0.144 0.000 2.653 454 L HA 0.118 4.459 4.340 0.001 0.000 0.231 454 L C 0.064 176.419 176.870 -0.859 0.000 1.153 454 L CA 0.184 54.828 54.840 -0.327 0.000 0.933 454 L CB 0.352 42.269 42.059 -0.237 0.000 1.175 454 L HN 0.010 nan 8.230 nan 0.000 0.473 455 T N -5.699 108.561 114.554 -0.490 0.000 2.927 455 T HA 0.495 4.845 4.350 0.001 0.000 0.286 455 T C -1.971 172.667 174.700 -0.103 0.000 1.040 455 T CA -1.862 59.973 62.100 -0.441 0.000 1.010 455 T CB 1.153 69.905 68.868 -0.194 0.000 1.177 455 T HN -0.308 nan 8.240 nan 0.000 0.546 456 P HA -0.154 nan 4.420 nan 0.000 0.215 456 P C 1.666 179.096 177.300 0.216 0.000 1.163 456 P CA 1.161 64.406 63.100 0.242 0.000 0.894 456 P CB 0.021 31.936 31.700 0.357 0.000 0.791 457 R N -0.126 120.464 120.500 0.150 0.000 2.127 457 R HA -0.080 4.260 4.340 0.001 0.000 0.238 457 R C 2.226 178.648 176.300 0.203 0.000 1.134 457 R CA 2.177 58.380 56.100 0.171 0.000 0.975 457 R CB -1.484 28.878 30.300 0.103 0.000 0.865 457 R HN 0.197 nan 8.270 nan 0.000 0.447 458 G N -1.255 107.623 108.800 0.129 0.000 2.408 458 G HA2 -0.139 3.822 3.960 0.001 0.000 0.215 458 G HA3 -0.139 3.822 3.960 0.001 0.000 0.215 458 G C 1.389 176.383 174.900 0.157 0.000 1.156 458 G CA 0.546 45.711 45.100 0.108 0.000 0.793 458 G HN 0.380 nan 8.290 nan 0.000 0.535 459 S N 0.498 116.322 115.700 0.206 0.000 2.370 459 S HA -0.127 4.344 4.470 0.001 0.000 0.226 459 S C 1.888 176.672 174.600 0.306 0.000 1.033 459 S CA 1.177 59.533 58.200 0.260 0.000 1.011 459 S CB -0.366 63.018 63.200 0.307 0.000 0.852 459 S HN 0.406 nan 8.310 nan 0.000 0.457 460 F N 2.378 122.434 119.950 0.176 0.000 2.113 460 F HA -0.061 4.466 4.527 0.001 0.000 0.297 460 F C 2.138 178.067 175.800 0.215 0.000 1.103 460 F CA 1.411 59.520 58.000 0.182 0.000 1.248 460 F CB -0.509 38.563 39.000 0.119 0.000 0.999 460 F HN 0.171 nan 8.300 nan 0.000 0.475 461 E N 0.245 120.470 120.200 0.043 0.000 2.058 461 E HA -0.222 4.128 4.350 0.001 0.000 0.194 461 E C 2.270 178.823 176.600 -0.077 0.000 0.997 461 E CA 1.188 57.537 56.400 -0.086 0.000 0.801 461 E CB -0.479 29.240 29.700 0.032 0.000 0.746 461 E HN 0.479 nan 8.360 nan 0.000 0.450 462 A N 0.260 123.096 122.820 0.027 0.000 2.121 462 A HA -0.150 4.171 4.320 0.001 0.000 0.218 462 A C 1.697 179.308 177.584 0.046 0.000 1.154 462 A CA 0.775 52.832 52.037 0.032 0.000 0.679 462 A CB -0.658 18.387 19.000 0.075 0.000 0.795 462 A HN 0.531 nan 8.150 nan 0.000 0.458 463 W N 0.553 121.776 121.300 -0.129 0.000 2.523 463 W HA 0.054 4.714 4.660 0.001 0.000 0.278 463 W C 1.605 177.993 176.519 -0.220 0.000 1.236 463 W CA 1.240 58.496 57.345 -0.148 0.000 1.306 463 W CB 0.086 29.470 29.460 -0.126 0.000 1.101 463 W HN 0.401 nan 8.180 nan 0.000 0.577 464 E N 0.152 120.093 120.200 -0.433 0.000 2.204 464 E HA -0.194 4.156 4.350 0.001 0.000 0.194 464 E C 1.579 177.900 176.600 -0.464 0.000 0.989 464 E CA 1.349 57.365 56.400 -0.639 0.000 0.824 464 E CB -0.060 29.331 29.700 -0.516 0.000 0.756 464 E HN 0.467 nan 8.360 nan 0.000 0.477 465 E N -0.226 119.787 120.200 -0.311 0.000 2.442 465 E HA -0.041 4.310 4.350 0.001 0.000 0.195 465 E C 1.662 178.131 176.600 -0.219 0.000 1.030 465 E CA 0.113 56.388 56.400 -0.209 0.000 0.869 465 E CB 0.590 30.216 29.700 -0.123 0.000 0.857 465 E HN 0.070 nan 8.360 nan 0.000 0.505 466 V N 0.743 120.462 119.914 -0.325 0.000 2.599 466 V HA -0.120 4.001 4.120 0.001 0.000 0.245 466 V C 2.190 178.014 176.094 -0.450 0.000 1.046 466 V CA 1.296 63.399 62.300 -0.329 0.000 1.065 466 V CB 0.372 32.029 31.823 -0.276 0.000 0.703 466 V HN 0.281 nan 8.190 nan 0.000 0.464 467 V N -2.594 116.982 119.914 -0.563 0.000 3.506 467 V HA 0.284 4.404 4.120 0.001 0.000 0.263 467 V C 1.122 177.124 176.094 -0.154 0.000 1.203 467 V CA -0.129 61.912 62.300 -0.431 0.000 1.133 467 V CB -0.529 30.892 31.823 -0.670 0.000 0.802 467 V HN 0.262 nan 8.190 nan 0.000 0.459 468 R N 2.350 122.745 120.500 -0.175 0.000 2.513 468 R HA 0.270 4.610 4.340 0.001 0.000 0.333 468 R C 1.459 177.796 176.300 0.061 0.000 0.925 468 R CA 0.758 56.816 56.100 -0.069 0.000 1.072 468 R CB -0.681 29.569 30.300 -0.085 0.000 0.914 468 R HN 1.021 nan 8.270 nan 0.000 0.408 469 G N 2.416 111.235 108.800 0.032 0.000 2.157 469 G HA2 -0.267 3.693 3.960 0.001 0.000 0.239 469 G HA3 -0.267 3.693 3.960 0.001 0.000 0.239 469 G C -0.372 174.473 174.900 -0.092 0.000 0.982 469 G CA 0.014 45.111 45.100 -0.005 0.000 0.650 469 G HN 0.685 nan 8.290 nan 0.000 0.527 470 H N 1.145 120.194 119.070 -0.036 0.000 2.595 470 H HA 0.601 5.158 4.556 0.001 0.000 0.313 470 H C 0.635 175.942 175.328 -0.035 0.000 1.023 470 H CA 0.207 56.238 56.048 -0.028 0.000 1.218 470 H CB 1.314 31.042 29.762 -0.057 0.000 1.403 470 H HN 0.403 nan 8.280 nan 0.000 0.477 471 S N 2.394 118.115 115.700 0.036 0.000 2.592 471 S HA 0.169 4.639 4.470 0.001 0.000 0.271 471 S C 0.211 174.758 174.600 -0.088 0.000 1.326 471 S CA -0.987 57.192 58.200 -0.036 0.000 1.024 471 S CB 0.689 63.831 63.200 -0.096 0.000 0.921 471 S HN 0.585 nan 8.310 nan 0.000 0.527 472 T N 4.241 118.716 114.554 -0.131 0.000 2.903 472 T HA 0.145 4.495 4.350 0.001 0.000 0.299 472 T C -2.310 172.205 174.700 -0.309 0.000 1.041 472 T CA -0.140 61.863 62.100 -0.162 0.000 1.138 472 T CB -0.636 68.127 68.868 -0.174 0.000 1.040 472 T HN 0.569 nan 8.240 nan 0.000 0.524 473 P HA 0.099 nan 4.420 nan 0.000 0.271 473 P C -0.647 176.487 177.300 -0.277 0.000 1.218 473 P CA -0.475 62.530 63.100 -0.159 0.000 0.780 473 P CB 0.348 32.051 31.700 0.004 0.000 0.901 474 W N 2.419 123.677 121.300 -0.070 0.000 2.605 474 W HA 0.151 4.812 4.660 0.001 0.000 0.327 474 W C 0.842 177.251 176.519 -0.183 0.000 1.332 474 W CA -0.160 57.082 57.345 -0.171 0.000 1.403 474 W CB -0.297 28.994 29.460 -0.283 0.000 1.452 474 W HN 0.320 nan 8.180 nan 0.000 0.503 475 S N 1.038 116.758 115.700 0.032 0.000 2.580 475 S HA -0.052 4.419 4.470 0.001 0.000 0.266 475 S C 1.150 175.719 174.600 -0.053 0.000 1.354 475 S CA -0.458 57.724 58.200 -0.029 0.000 1.008 475 S CB 1.049 64.230 63.200 -0.032 0.000 0.898 475 S HN 0.623 nan 8.310 nan 0.000 0.555 476 E N 0.803 120.961 120.200 -0.070 0.000 2.171 476 E HA -0.155 4.196 4.350 0.001 0.000 0.197 476 E C 1.970 178.528 176.600 -0.071 0.000 0.997 476 E CA 2.149 58.505 56.400 -0.074 0.000 0.810 476 E CB -0.526 29.140 29.700 -0.056 0.000 0.738 476 E HN 0.901 nan 8.360 nan 0.000 0.467 477 T N -2.221 112.297 114.554 -0.060 0.000 2.976 477 T HA -0.017 4.333 4.350 0.001 0.000 0.257 477 T C 1.264 175.907 174.700 -0.094 0.000 1.051 477 T CA 0.656 62.717 62.100 -0.065 0.000 1.141 477 T CB -0.276 68.564 68.868 -0.047 0.000 0.881 477 T HN -0.037 nan 8.240 nan 0.000 0.461 478 D N 1.384 121.732 120.400 -0.086 0.000 2.357 478 D HA 0.010 4.650 4.640 0.001 0.000 0.216 478 D C 1.558 177.724 176.300 -0.224 0.000 0.973 478 D CA 0.668 54.597 54.000 -0.119 0.000 0.912 478 D CB -0.158 40.657 40.800 0.025 0.000 0.900 478 D HN 0.406 nan 8.370 nan 0.000 0.501 479 L N -0.779 120.324 121.223 -0.199 0.000 2.642 479 L HA 0.266 4.606 4.340 0.001 0.000 0.233 479 L C 2.212 178.978 176.870 -0.174 0.000 1.077 479 L CA 0.178 54.864 54.840 -0.255 0.000 0.879 479 L CB 0.112 41.998 42.059 -0.289 0.000 1.151 479 L HN -0.117 nan 8.230 nan 0.000 0.495 480 A N 0.683 123.426 122.820 -0.128 0.000 1.873 480 A HA -0.137 4.184 4.320 0.001 0.000 0.215 480 A C 2.171 179.701 177.584 -0.090 0.000 1.186 480 A CA 1.461 53.443 52.037 -0.090 0.000 0.616 480 A CB -0.486 18.473 19.000 -0.068 0.000 0.823 480 A HN 0.284 nan 8.150 nan 0.000 0.442 481 I N -0.210 120.294 120.570 -0.110 0.000 2.142 481 I HA -0.270 3.900 4.170 0.001 0.000 0.240 481 I C 2.979 179.040 176.117 -0.094 0.000 1.078 481 I CA 1.040 62.281 61.300 -0.100 0.000 1.343 481 I CB -0.395 37.528 38.000 -0.128 0.000 1.046 481 I HN 0.348 nan 8.210 nan 0.000 0.405 482 A N -0.122 122.597 122.820 -0.168 0.000 1.997 482 A HA -0.258 4.062 4.320 0.001 0.000 0.221 482 A C 2.233 179.798 177.584 -0.033 0.000 1.172 482 A CA 1.832 53.803 52.037 -0.110 0.000 0.645 482 A CB -0.441 18.404 19.000 -0.258 0.000 0.813 482 A HN 0.382 nan 8.150 nan 0.000 0.454 483 E N -0.845 119.318 120.200 -0.062 0.000 2.442 483 E HA 0.003 4.353 4.350 0.001 0.000 0.195 483 E C 1.551 178.137 176.600 -0.024 0.000 1.030 483 E CA 0.295 56.670 56.400 -0.041 0.000 0.869 483 E CB 0.052 29.721 29.700 -0.051 0.000 0.857 483 E HN 0.414 nan 8.360 nan 0.000 0.505 484 K N 0.229 120.616 120.400 -0.022 0.000 2.141 484 K HA 0.097 4.418 4.320 0.001 0.000 0.202 484 K C 2.224 178.823 176.600 -0.002 0.000 1.045 484 K CA 0.013 56.291 56.287 -0.016 0.000 0.971 484 K CB -0.398 32.089 32.500 -0.022 0.000 0.795 484 K HN 0.173 nan 8.250 nan 0.000 0.459 485 L N 1.314 122.549 121.223 0.020 0.000 2.012 485 L HA -0.186 4.155 4.340 0.001 0.000 0.210 485 L C 2.754 179.638 176.870 0.024 0.000 1.073 485 L CA 1.369 56.230 54.840 0.036 0.000 0.748 485 L CB -0.214 41.913 42.059 0.114 0.000 0.891 485 L HN 0.165 nan 8.230 nan 0.000 0.431 486 R N -0.461 120.070 120.500 0.052 0.000 2.159 486 R HA -0.207 4.133 4.340 0.001 0.000 0.237 486 R C 1.960 178.277 176.300 0.028 0.000 1.131 486 R CA 1.304 57.442 56.100 0.064 0.000 0.982 486 R CB -0.085 30.235 30.300 0.033 0.000 0.868 486 R HN 0.280 nan 8.270 nan 0.000 0.453 487 L N 0.602 121.827 121.223 0.003 0.000 2.418 487 L HA -0.015 4.325 4.340 0.001 0.000 0.218 487 L C 1.270 178.128 176.870 -0.020 0.000 1.125 487 L CA 1.405 56.241 54.840 -0.007 0.000 0.835 487 L CB -0.033 42.019 42.059 -0.012 0.000 0.953 487 L HN 0.076 nan 8.230 nan 0.000 0.454 488 D N -1.143 119.237 120.400 -0.034 0.000 2.259 488 D HA 0.056 4.697 4.640 0.001 0.000 0.216 488 D C 2.151 178.392 176.300 -0.098 0.000 0.961 488 D CA 0.692 54.658 54.000 -0.056 0.000 0.878 488 D CB 0.178 40.945 40.800 -0.055 0.000 1.009 488 D HN 0.193 nan 8.370 nan 0.000 0.490 489 L N 0.274 121.409 121.223 -0.146 0.000 2.551 489 L HA -0.009 4.331 4.340 0.001 0.000 0.228 489 L C 2.099 178.865 176.870 -0.173 0.000 1.153 489 L CA 0.192 54.852 54.840 -0.301 0.000 0.851 489 L CB -0.165 41.501 42.059 -0.655 0.000 0.959 489 L HN 0.018 nan 8.230 nan 0.000 0.451 490 M N 0.322 119.897 119.600 -0.042 0.000 2.098 490 M HA -0.175 4.305 4.480 0.001 0.000 0.262 490 M C 2.069 178.367 176.300 -0.003 0.000 1.072 490 M CA 1.787 57.101 55.300 0.024 0.000 1.133 490 M CB -0.131 32.486 32.600 0.028 0.000 1.344 490 M HN 0.096 nan 8.290 nan 0.000 0.414 491 E N -0.910 119.275 120.200 -0.026 0.000 2.435 491 E HA -0.094 4.257 4.350 0.001 0.000 0.195 491 E C 1.634 178.206 176.600 -0.047 0.000 1.029 491 E CA 0.339 56.724 56.400 -0.026 0.000 0.865 491 E CB 0.089 29.775 29.700 -0.024 0.000 0.833 491 E HN 0.432 nan 8.360 nan 0.000 0.510 492 L N -0.481 120.695 121.223 -0.079 0.000 2.202 492 L HA 0.018 4.359 4.340 0.001 0.000 0.205 492 L C 2.013 178.814 176.870 -0.114 0.000 1.083 492 L CA 0.848 55.628 54.840 -0.100 0.000 0.790 492 L CB -0.166 41.812 42.059 -0.136 0.000 0.942 492 L HN 0.228 nan 8.230 nan 0.000 0.452 493 C N -0.944 118.273 119.300 -0.139 0.000 2.489 493 C HA -0.080 4.381 4.460 0.001 0.000 0.279 493 C C 2.639 177.555 174.990 -0.124 0.000 1.266 493 C CA 0.302 59.226 59.018 -0.156 0.000 1.707 493 C CB -0.801 26.840 27.740 -0.165 0.000 2.059 493 C HN 0.441 nan 8.230 nan 0.000 0.481 494 L N 0.877 122.061 121.223 -0.064 0.000 2.013 494 L HA -0.105 4.235 4.340 0.001 0.000 0.212 494 L C 1.087 177.942 176.870 -0.024 0.000 1.073 494 L CA 1.944 56.772 54.840 -0.020 0.000 0.753 494 L CB -1.260 40.813 42.059 0.023 0.000 0.890 494 L HN 0.550 nan 8.230 nan 0.000 0.432 495 N N 0.000 118.682 118.700 -0.029 0.000 1.763 495 N HA 0.000 4.740 4.740 0.001 0.000 0.220 495 N CA 0.000 53.036 53.050 -0.022 0.000 0.885 495 N CB 0.000 38.477 38.487 -0.016 0.000 1.341 495 N HN 0.000 nan 8.380 nan 0.000 0.667