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 2cxo_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAALTRNPQF QKLLEWHRAN SANLKLRELF EADPERFNNF SLNLNTNHGH DATA SEQUENCE ILVDYSKNLV SKEVMQMLVE LAKSRGVEAA RDNMFSGSKI NYTEDRAVLH DATA SEQUENCE VALRNRSNTP IKVDGKDVMP EVNRVLDKMK SFCQRVRSGD WKGYTGKSIT DATA SEQUENCE DIINIGIGGS DLGPLMVTEA LKPYSKGGPR VWFVSNIDGT HIAKTLASLS DATA SEQUENCE PETSLFIIAS KTFTTQETIT NAETAKEWFL EAAKDPSAVA KHFVALSTNT DATA SEQUENCE AKVKEFGIDP QNMFEFWDWV GGRYSLWSAI GLSIALHVGF DHFEQLLSGA DATA SEQUENCE HWMDQHFLKT PLEKNAPVLL ALLGIWYINC YGCETHALLP YDQYMHRFAA DATA SEQUENCE YFQQGDMESN GKYITKSGAR VDHQTGPIVW GEPGTNGQHA FYQLIHQGTK DATA SEQUENCE MIPCDFLIPV QTQHPIRKGL HHKILLANFL AQTEALMKGK LPEEARKELQ DATA SEQUENCE AAGKSPEDLE KLLPHKVFEG NRPTNSIVFT KLTPFILGAL IAMYEHKIFV DATA SEQUENCE QGIMWDINSF DQWGVELGKQ LAKKIEPELE GSSAVTSHDS STNGLISFIK DATA SEQUENCE QQRDTKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.340 176.300 0.067 0.000 1.140 1 M CA 0.000 55.334 55.300 0.056 0.000 0.988 1 M CB 0.000 32.643 32.600 0.071 0.000 1.302 2 A N -0.162 122.719 122.820 0.101 0.000 2.386 2 A HA 0.918 5.285 4.320 0.077 0.000 0.308 2 A C 0.751 178.396 177.584 0.103 0.000 1.128 2 A CA -0.018 52.093 52.037 0.123 0.000 0.789 2 A CB 1.319 20.441 19.000 0.203 0.000 1.325 2 A HN 1.170 nan 8.150 nan 0.000 0.437 3 A N -0.052 122.823 122.820 0.091 0.000 1.892 3 A HA -0.115 4.251 4.320 0.077 0.000 0.218 3 A C 1.963 179.546 177.584 -0.003 0.000 1.188 3 A CA 2.209 54.274 52.037 0.047 0.000 0.631 3 A CB -0.844 18.184 19.000 0.046 0.000 0.822 3 A HN 1.381 nan 8.150 nan 0.000 0.447 4 L N 0.344 121.519 121.223 -0.080 0.000 1.994 4 L HA -0.141 4.245 4.340 0.077 0.000 0.208 4 L C 2.746 179.451 176.870 -0.275 0.000 1.071 4 L CA 3.059 57.714 54.840 -0.309 0.000 0.745 4 L CB -1.000 40.648 42.059 -0.685 0.000 0.892 4 L HN 0.567 nan 8.230 nan 0.000 0.431 5 T N -3.286 111.175 114.554 -0.155 0.000 2.915 5 T HA -0.146 4.251 4.350 0.077 0.000 0.269 5 T C 1.966 176.770 174.700 0.173 0.000 1.071 5 T CA 1.049 63.211 62.100 0.103 0.000 1.132 5 T CB -0.477 68.489 68.868 0.165 0.000 0.878 5 T HN 0.346 nan 8.240 nan 0.000 0.479 6 R N 1.301 121.863 120.500 0.104 0.000 2.275 6 R HA 0.163 4.550 4.340 0.077 0.000 0.199 6 R C 0.931 177.289 176.300 0.097 0.000 0.989 6 R CA -0.017 56.139 56.100 0.094 0.000 1.016 6 R CB -0.105 30.235 30.300 0.066 0.000 0.918 6 R HN 0.371 nan 8.270 nan 0.000 0.473 7 N N 1.895 120.663 118.700 0.113 0.000 2.442 7 N HA 0.004 4.790 4.740 0.077 0.000 0.265 7 N C -1.785 173.812 175.510 0.146 0.000 1.138 7 N CA -1.370 51.747 53.050 0.112 0.000 0.956 7 N CB 1.437 39.981 38.487 0.095 0.000 1.067 7 N HN -0.085 nan 8.380 nan 0.000 0.474 8 P HA -0.112 nan 4.420 nan 0.000 0.218 8 P C 0.756 178.100 177.300 0.074 0.000 1.149 8 P CA 1.249 64.395 63.100 0.077 0.000 0.817 8 P CB 0.517 32.247 31.700 0.050 0.000 0.785 9 Q N -1.389 118.458 119.800 0.080 0.000 2.167 9 Q HA -0.101 4.285 4.340 0.077 0.000 0.202 9 Q C 1.972 178.036 176.000 0.106 0.000 0.970 9 Q CA 1.119 56.962 55.803 0.068 0.000 0.855 9 Q CB -0.842 27.927 28.738 0.051 0.000 0.911 9 Q HN 0.198 nan 8.270 nan 0.000 0.438 10 F N 0.790 120.752 119.950 0.019 0.000 2.146 10 F HA -0.175 4.400 4.527 0.079 0.000 0.298 10 F C 1.955 177.790 175.800 0.058 0.000 1.096 10 F CA 1.212 59.232 58.000 0.033 0.000 1.275 10 F CB 0.040 39.048 39.000 0.014 0.000 1.008 10 F HN -0.003 nan 8.300 nan 0.000 0.480 11 Q N 0.838 120.612 119.800 -0.043 0.000 2.170 11 Q HA -0.214 4.172 4.340 0.077 0.000 0.203 11 Q C 2.278 178.218 176.000 -0.099 0.000 0.976 11 Q CA 1.493 57.223 55.803 -0.122 0.000 0.858 11 Q CB -0.563 28.190 28.738 0.025 0.000 0.907 11 Q HN 0.510 nan 8.270 nan 0.000 0.433 12 K N 0.624 121.006 120.400 -0.030 0.000 2.026 12 K HA -0.096 4.270 4.320 0.077 0.000 0.208 12 K C 2.139 178.768 176.600 0.049 0.000 1.048 12 K CA 0.633 56.933 56.287 0.022 0.000 0.929 12 K CB -0.170 32.349 32.500 0.031 0.000 0.713 12 K HN 0.146 nan 8.250 nan 0.000 0.439 13 L N 1.220 122.438 121.223 -0.009 0.000 1.990 13 L HA -0.229 4.157 4.340 0.077 0.000 0.213 13 L C 2.500 179.438 176.870 0.113 0.000 1.072 13 L CA 1.410 56.281 54.840 0.051 0.000 0.755 13 L CB -0.435 41.634 42.059 0.017 0.000 0.889 13 L HN 0.329 nan 8.230 nan 0.000 0.432 14 L N 0.284 121.388 121.223 -0.199 0.000 2.046 14 L HA -0.233 4.153 4.340 0.077 0.000 0.208 14 L C 2.456 179.333 176.870 0.010 0.000 1.077 14 L CA 1.970 56.685 54.840 -0.208 0.000 0.747 14 L CB -0.568 41.175 42.059 -0.526 0.000 0.896 14 L HN 0.269 nan 8.230 nan 0.000 0.432 15 E N -1.133 119.078 120.200 0.018 0.000 2.077 15 E HA -0.319 4.077 4.350 0.077 0.000 0.193 15 E C 2.038 178.714 176.600 0.128 0.000 0.989 15 E CA 1.851 58.285 56.400 0.057 0.000 0.800 15 E CB -0.767 28.959 29.700 0.043 0.000 0.746 15 E HN 0.560 nan 8.360 nan 0.000 0.452 16 W N 0.786 122.106 121.300 0.033 0.000 2.358 16 W HA -0.223 4.483 4.660 0.077 0.000 0.303 16 W C 2.515 179.100 176.519 0.110 0.000 1.208 16 W CA 2.223 59.610 57.345 0.069 0.000 1.274 16 W CB -0.498 29.012 29.460 0.083 0.000 1.138 16 W HN 0.302 nan 8.180 nan 0.000 0.515 17 H N 0.678 120.039 119.070 0.484 0.000 2.319 17 H HA -0.162 4.441 4.556 0.078 0.000 0.299 17 H C 2.235 177.520 175.328 -0.070 0.000 1.092 17 H CA 2.279 58.470 56.048 0.239 0.000 1.302 17 H CB -0.192 29.531 29.762 -0.064 0.000 1.373 17 H HN 0.158 nan 8.280 nan 0.000 0.497 18 R N -0.060 120.461 120.500 0.035 0.000 2.081 18 R HA -0.083 4.303 4.340 0.077 0.000 0.235 18 R C 2.511 178.712 176.300 -0.164 0.000 1.131 18 R CA 1.113 57.178 56.100 -0.058 0.000 0.960 18 R CB -0.257 30.038 30.300 -0.008 0.000 0.856 18 R HN 0.341 nan 8.270 nan 0.000 0.436 19 A N 0.719 123.418 122.820 -0.202 0.000 1.970 19 A HA -0.046 4.320 4.320 0.077 0.000 0.216 19 A C 1.486 178.835 177.584 -0.392 0.000 1.170 19 A CA 1.025 52.903 52.037 -0.265 0.000 0.645 19 A CB 0.063 18.908 19.000 -0.257 0.000 0.816 19 A HN 0.261 nan 8.150 nan 0.000 0.447 20 N N -1.178 117.163 118.700 -0.598 0.000 2.297 20 N HA -0.041 4.745 4.740 0.077 0.000 0.208 20 N C 1.737 176.963 175.510 -0.474 0.000 1.176 20 N CA 1.070 53.667 53.050 -0.755 0.000 0.882 20 N CB 0.108 37.585 38.487 -1.684 0.000 1.134 20 N HN 0.516 nan 8.380 nan 0.000 0.489 21 S N 1.389 116.857 115.700 -0.387 0.000 2.383 21 S HA -0.061 4.455 4.470 0.077 0.000 0.229 21 S C 2.126 176.694 174.600 -0.054 0.000 1.030 21 S CA 1.086 59.184 58.200 -0.169 0.000 1.002 21 S CB -0.330 62.437 63.200 -0.723 0.000 0.829 21 S HN 0.249 nan 8.310 nan 0.000 0.467 22 A N 2.294 125.039 122.820 -0.126 0.000 2.076 22 A HA -0.067 4.299 4.320 0.077 0.000 0.220 22 A C 1.860 179.443 177.584 -0.003 0.000 1.160 22 A CA 1.512 53.526 52.037 -0.038 0.000 0.653 22 A CB -0.944 18.019 19.000 -0.062 0.000 0.801 22 A HN 0.789 nan 8.150 nan 0.000 0.455 23 N N -0.895 117.790 118.700 -0.025 0.000 2.353 23 N HA 0.216 5.002 4.740 0.077 0.000 0.185 23 N C -0.439 175.107 175.510 0.060 0.000 1.098 23 N CA -0.198 52.852 53.050 0.000 0.000 0.872 23 N CB 0.104 38.565 38.487 -0.043 0.000 0.970 23 N HN 0.373 nan 8.380 nan 0.000 0.467 24 L N 1.605 122.898 121.223 0.117 0.000 2.325 24 L HA 0.246 4.632 4.340 0.077 0.000 0.284 24 L C -0.298 176.660 176.870 0.146 0.000 1.089 24 L CA 0.085 55.029 54.840 0.173 0.000 0.836 24 L CB 0.535 42.774 42.059 0.300 0.000 1.184 24 L HN -0.074 nan 8.230 nan 0.000 0.444 25 K N 3.923 124.390 120.400 0.111 0.000 2.502 25 K HA 0.320 4.686 4.320 0.077 0.000 0.254 25 K C 0.511 177.174 176.600 0.105 0.000 0.947 25 K CA -0.527 55.821 56.287 0.102 0.000 0.834 25 K CB 2.249 34.796 32.500 0.079 0.000 1.112 25 K HN 0.448 nan 8.250 nan 0.000 0.427 26 L N 1.636 122.936 121.223 0.128 0.000 2.012 26 L HA -0.182 4.204 4.340 0.077 0.000 0.210 26 L C 2.496 179.518 176.870 0.254 0.000 1.073 26 L CA 1.522 56.471 54.840 0.182 0.000 0.748 26 L CB -0.223 41.956 42.059 0.202 0.000 0.891 26 L HN 0.637 nan 8.230 nan 0.000 0.431 27 R N 0.133 120.734 120.500 0.169 0.000 2.103 27 R HA -0.206 4.180 4.340 0.077 0.000 0.242 27 R C 2.127 178.517 176.300 0.150 0.000 1.142 27 R CA 1.922 58.108 56.100 0.143 0.000 0.960 27 R CB -0.115 30.230 30.300 0.076 0.000 0.858 27 R HN 0.500 nan 8.270 nan 0.000 0.439 28 E N 0.034 120.300 120.200 0.110 0.000 2.158 28 E HA -0.122 4.274 4.350 0.077 0.000 0.191 28 E C 2.114 178.753 176.600 0.066 0.000 0.982 28 E CA 0.636 57.084 56.400 0.080 0.000 0.823 28 E CB 0.001 29.737 29.700 0.060 0.000 0.766 28 E HN 0.305 nan 8.360 nan 0.000 0.468 29 L N 0.029 121.278 121.223 0.044 0.000 2.042 29 L HA -0.182 4.204 4.340 0.077 0.000 0.210 29 L C 2.197 178.991 176.870 -0.126 0.000 1.076 29 L CA 1.256 56.052 54.840 -0.072 0.000 0.749 29 L CB -0.319 41.634 42.059 -0.175 0.000 0.893 29 L HN 0.106 nan 8.230 nan 0.000 0.432 30 F N -0.235 119.710 119.950 -0.010 0.000 2.163 30 F HA -0.156 4.416 4.527 0.076 0.000 0.297 30 F C 2.693 178.499 175.800 0.009 0.000 1.094 30 F CA 0.962 58.961 58.000 -0.002 0.000 1.290 30 F CB -0.155 38.841 39.000 -0.008 0.000 1.017 30 F HN 0.002 nan 8.300 nan 0.000 0.483 31 E N 0.222 120.533 120.200 0.185 0.000 2.085 31 E HA -0.192 4.204 4.350 0.077 0.000 0.194 31 E C 2.342 178.986 176.600 0.074 0.000 0.994 31 E CA 1.229 57.694 56.400 0.108 0.000 0.801 31 E CB -0.610 29.137 29.700 0.079 0.000 0.743 31 E HN 0.354 nan 8.360 nan 0.000 0.453 32 A N 0.695 123.547 122.820 0.055 0.000 2.067 32 A HA -0.093 4.273 4.320 0.077 0.000 0.217 32 A C 0.636 178.239 177.584 0.032 0.000 1.156 32 A CA 0.914 52.972 52.037 0.036 0.000 0.683 32 A CB 0.149 19.165 19.000 0.025 0.000 0.808 32 A HN 0.068 nan 8.150 nan 0.000 0.455 33 D N -1.607 118.811 120.400 0.030 0.000 2.358 33 D HA 0.286 4.972 4.640 0.077 0.000 0.253 33 D C -2.090 174.247 176.300 0.062 0.000 1.288 33 D CA -1.735 52.282 54.000 0.029 0.000 0.950 33 D CB 1.403 42.202 40.800 -0.003 0.000 1.197 33 D HN -0.046 nan 8.370 nan 0.000 0.550 34 P HA -0.082 nan 4.420 nan 0.000 0.225 34 P C 0.491 177.865 177.300 0.123 0.000 1.148 34 P CA 0.675 63.837 63.100 0.103 0.000 0.779 34 P CB 0.529 32.274 31.700 0.075 0.000 0.780 35 E N -0.567 119.693 120.200 0.101 0.000 2.465 35 E HA 0.034 4.430 4.350 0.077 0.000 0.191 35 E C 1.889 178.570 176.600 0.135 0.000 1.053 35 E CA -0.154 56.311 56.400 0.109 0.000 0.869 35 E CB -0.219 29.520 29.700 0.065 0.000 0.977 35 E HN 0.306 nan 8.360 nan 0.000 0.483 36 R N 0.065 120.643 120.500 0.131 0.000 2.080 36 R HA -0.171 4.215 4.340 0.077 0.000 0.236 36 R C 2.104 178.532 176.300 0.214 0.000 1.137 36 R CA 1.361 57.514 56.100 0.088 0.000 0.943 36 R CB -0.333 29.753 30.300 -0.357 0.000 0.846 36 R HN 0.160 nan 8.270 nan 0.000 0.431 37 F N 2.045 122.090 119.950 0.159 0.000 2.091 37 F HA -0.259 4.314 4.527 0.077 0.000 0.299 37 F C 1.817 177.664 175.800 0.078 0.000 1.103 37 F CA 1.858 59.949 58.000 0.152 0.000 1.228 37 F CB -0.423 38.673 39.000 0.160 0.000 0.984 37 F HN 0.093 nan 8.300 nan 0.000 0.477 38 N N 0.729 119.427 118.700 -0.002 0.000 2.166 38 N HA -0.176 4.610 4.740 0.077 0.000 0.186 38 N C 1.218 176.600 175.510 -0.212 0.000 1.019 38 N CA 1.432 54.400 53.050 -0.136 0.000 0.856 38 N CB -0.597 37.910 38.487 0.034 0.000 0.993 38 N HN 0.394 nan 8.380 nan 0.000 0.426 39 N N -0.566 118.036 118.700 -0.162 0.000 2.373 39 N HA 0.062 4.848 4.740 0.077 0.000 0.181 39 N C -0.296 174.821 175.510 -0.654 0.000 1.082 39 N CA 0.225 53.074 53.050 -0.336 0.000 0.885 39 N CB 0.202 38.498 38.487 -0.319 0.000 0.977 39 N HN 0.174 nan 8.380 nan 0.000 0.462 40 F N 0.331 120.019 119.950 -0.438 0.000 2.818 40 F HA 0.305 4.878 4.527 0.076 0.000 0.369 40 F C 0.208 175.237 175.800 -1.285 0.000 1.327 40 F CA -0.636 56.838 58.000 -0.877 0.000 1.211 40 F CB 0.316 38.927 39.000 -0.649 0.000 1.036 40 F HN -0.214 nan 8.300 nan 0.000 0.510 41 S N -0.116 115.183 115.700 -0.668 0.000 2.570 41 S HA 0.832 5.348 4.470 0.077 0.000 0.270 41 S C -1.344 173.196 174.600 -0.101 0.000 1.149 41 S CA -0.823 57.134 58.200 -0.405 0.000 0.837 41 S CB 2.051 64.853 63.200 -0.664 0.000 1.124 41 S HN 0.121 nan 8.310 nan 0.000 0.465 42 L N 2.332 123.603 121.223 0.081 0.000 2.372 42 L HA 0.541 4.927 4.340 0.077 0.000 0.274 42 L C -0.622 176.318 176.870 0.117 0.000 0.988 42 L CA -0.708 54.205 54.840 0.121 0.000 0.833 42 L CB 1.789 43.968 42.059 0.200 0.000 1.236 42 L HN 0.741 nan 8.230 nan 0.000 0.410 43 N N 5.092 123.858 118.700 0.110 0.000 2.589 43 N HA 0.345 5.131 4.740 0.077 0.000 0.232 43 N C -1.082 174.524 175.510 0.159 0.000 1.015 43 N CA -0.310 52.838 53.050 0.164 0.000 0.931 43 N CB 0.692 39.288 38.487 0.182 0.000 1.150 43 N HN 0.523 nan 8.380 nan 0.000 0.512 44 L N 2.535 123.830 121.223 0.121 0.000 2.260 44 L HA 0.293 4.679 4.340 0.077 0.000 0.289 44 L C 0.569 177.338 176.870 -0.169 0.000 1.057 44 L CA -0.727 54.148 54.840 0.058 0.000 0.811 44 L CB 0.543 42.641 42.059 0.064 0.000 1.184 44 L HN 0.375 nan 8.230 nan 0.000 0.429 45 N N 1.615 120.170 118.700 -0.241 0.000 2.439 45 N HA 0.091 4.877 4.740 0.077 0.000 0.249 45 N C 0.851 176.134 175.510 -0.379 0.000 1.003 45 N CA -0.302 52.378 53.050 -0.616 0.000 0.942 45 N CB 1.273 39.459 38.487 -0.500 0.000 1.115 45 N HN 0.643 nan 8.380 nan 0.000 0.505 46 T N 0.097 114.257 114.554 -0.658 0.000 3.129 46 T HA 0.086 4.482 4.350 0.077 0.000 0.251 46 T C 0.428 174.836 174.700 -0.487 0.000 1.117 46 T CA -0.072 61.452 62.100 -0.959 0.000 1.034 46 T CB -0.192 68.024 68.868 -1.088 0.000 0.968 46 T HN 0.590 nan 8.240 nan 0.000 0.526 47 N N 1.080 119.531 118.700 -0.414 0.000 2.936 47 N HA -0.159 4.627 4.740 0.077 0.000 0.236 47 N C -0.498 174.523 175.510 -0.815 0.000 0.930 47 N CA 1.543 54.303 53.050 -0.484 0.000 0.966 47 N CB -1.436 36.801 38.487 -0.417 0.000 1.090 47 N HN 0.655 nan 8.380 nan 0.000 0.592 48 H N -0.537 118.280 119.070 -0.423 0.000 2.651 48 H HA 0.515 5.117 4.556 0.077 0.000 0.241 48 H C 1.266 176.433 175.328 -0.269 0.000 1.225 48 H CA 0.608 56.366 56.048 -0.483 0.000 0.942 48 H CB 0.566 29.659 29.762 -1.116 0.000 1.996 48 H HN 0.477 nan 8.280 nan 0.000 0.600 49 G N 0.515 109.261 108.800 -0.089 0.000 2.459 49 G HA2 -0.106 3.900 3.960 0.077 0.000 0.685 49 G HA3 -0.106 3.900 3.960 0.077 0.000 0.685 49 G C -1.350 173.553 174.900 0.005 0.000 1.303 49 G CA -1.035 44.096 45.100 0.051 0.000 0.907 49 G HN 0.388 nan 8.290 nan 0.000 0.632 50 H N -0.640 118.425 119.070 -0.008 0.000 2.479 50 H HA 0.613 5.216 4.556 0.077 0.000 0.335 50 H C -0.117 175.249 175.328 0.062 0.000 1.142 50 H CA -0.302 55.745 56.048 -0.002 0.000 1.234 50 H CB 1.915 31.692 29.762 0.026 0.000 1.503 50 H HN 0.379 nan 8.280 nan 0.000 0.510 51 I N 3.747 124.395 120.570 0.130 0.000 2.382 51 I HA 0.042 4.258 4.170 0.077 0.000 0.286 51 I C -0.712 175.523 176.117 0.196 0.000 1.002 51 I CA -0.694 60.718 61.300 0.187 0.000 1.135 51 I CB 1.652 39.713 38.000 0.102 0.000 1.288 51 I HN 0.145 nan 8.210 nan 0.000 0.448 52 L N 8.856 130.221 121.223 0.237 0.000 2.255 52 L HA 0.430 4.817 4.340 0.077 0.000 0.289 52 L C -0.498 176.524 176.870 0.253 0.000 1.046 52 L CA -0.157 54.822 54.840 0.231 0.000 0.816 52 L CB 1.192 43.396 42.059 0.242 0.000 1.197 52 L HN 0.329 nan 8.230 nan 0.000 0.427 53 V N 4.870 124.924 119.914 0.233 0.000 2.288 53 V HA 0.259 4.425 4.120 0.077 0.000 0.266 53 V C -0.329 175.947 176.094 0.303 0.000 1.048 53 V CA -0.600 61.862 62.300 0.270 0.000 0.842 53 V CB 0.746 32.711 31.823 0.237 0.000 1.064 53 V HN 0.718 nan 8.190 nan 0.000 0.472 54 D N 4.204 124.784 120.400 0.300 0.000 2.396 54 D HA 0.195 4.881 4.640 0.077 0.000 0.225 54 D C 0.260 176.733 176.300 0.289 0.000 1.121 54 D CA -0.525 53.623 54.000 0.246 0.000 0.853 54 D CB 0.810 41.826 40.800 0.361 0.000 1.043 54 D HN 0.637 nan 8.370 nan 0.000 0.500 55 Y N 1.500 121.918 120.300 0.197 0.000 2.658 55 Y HA 0.235 4.832 4.550 0.078 0.000 0.276 55 Y C 1.545 177.574 175.900 0.215 0.000 1.167 55 Y CA -0.221 58.005 58.100 0.210 0.000 1.230 55 Y CB -0.350 38.228 38.460 0.195 0.000 1.144 55 Y HN 0.220 nan 8.280 nan 0.000 0.529 56 S N 0.326 116.060 115.700 0.057 0.000 2.428 56 S HA -0.063 4.453 4.470 0.077 0.000 0.230 56 S C 1.138 175.834 174.600 0.159 0.000 1.014 56 S CA 0.346 58.562 58.200 0.026 0.000 0.957 56 S CB -0.292 63.025 63.200 0.195 0.000 0.784 56 S HN 0.511 nan 8.310 nan 0.000 0.499 57 K N 1.728 122.303 120.400 0.292 0.000 2.790 57 K HA 0.248 4.614 4.320 0.077 0.000 0.229 57 K C -0.657 176.072 176.600 0.215 0.000 1.040 57 K CA -0.108 56.357 56.287 0.297 0.000 1.211 57 K CB -0.384 32.203 32.500 0.144 0.000 1.002 57 K HN 0.463 nan 8.250 nan 0.000 0.479 58 N N 0.364 119.187 118.700 0.204 0.000 2.466 58 N HA 0.244 5.030 4.740 0.077 0.000 0.294 58 N C -0.503 175.152 175.510 0.243 0.000 1.129 58 N CA -0.582 52.647 53.050 0.299 0.000 0.931 58 N CB 1.321 40.040 38.487 0.387 0.000 1.193 58 N HN -0.016 nan 8.380 nan 0.000 0.500 59 L N 2.329 123.805 121.223 0.421 0.000 2.416 59 L HA 0.202 4.588 4.340 0.077 0.000 0.243 59 L C -0.606 176.533 176.870 0.449 0.000 1.373 59 L CA -0.348 54.754 54.840 0.436 0.000 1.227 59 L CB -1.074 41.310 42.059 0.541 0.000 1.428 59 L HN 0.300 nan 8.230 nan 0.000 0.425 60 V N -2.038 117.948 119.914 0.119 0.000 3.049 60 V HA 0.841 5.007 4.120 0.077 0.000 0.309 60 V C -0.145 175.861 176.094 -0.147 0.000 1.148 60 V CA -0.608 61.643 62.300 -0.082 0.000 0.990 60 V CB 1.972 33.702 31.823 -0.154 0.000 1.039 60 V HN 0.291 nan 8.190 nan 0.000 0.430 61 S N 1.508 117.147 115.700 -0.101 0.000 2.759 61 S HA 0.521 5.037 4.470 0.077 0.000 0.310 61 S C 0.790 175.481 174.600 0.150 0.000 1.123 61 S CA -0.157 58.051 58.200 0.014 0.000 0.959 61 S CB 1.847 65.074 63.200 0.045 0.000 1.172 61 S HN 1.077 nan 8.310 nan 0.000 0.539 62 K N 0.413 120.962 120.400 0.248 0.000 2.074 62 K HA -0.203 4.163 4.320 0.077 0.000 0.209 62 K C 1.502 178.056 176.600 -0.076 0.000 1.048 62 K CA 2.060 58.393 56.287 0.076 0.000 0.926 62 K CB -0.352 32.162 32.500 0.024 0.000 0.713 62 K HN 0.642 nan 8.250 nan 0.000 0.444 63 E N 0.145 120.271 120.200 -0.124 0.000 2.072 63 E HA -0.132 4.264 4.350 0.077 0.000 0.191 63 E C 1.936 178.257 176.600 -0.465 0.000 0.985 63 E CA 1.178 57.428 56.400 -0.250 0.000 0.801 63 E CB -0.145 29.430 29.700 -0.209 0.000 0.750 63 E HN 0.097 nan 8.360 nan 0.000 0.452 64 V N 0.699 120.243 119.914 -0.616 0.000 2.295 64 V HA -0.290 3.876 4.120 0.077 0.000 0.246 64 V C 2.150 177.921 176.094 -0.539 0.000 1.049 64 V CA 1.625 63.433 62.300 -0.821 0.000 1.024 64 V CB -0.448 30.766 31.823 -1.015 0.000 0.648 64 V HN 0.311 nan 8.190 nan 0.000 0.447 65 M N -0.522 118.884 119.600 -0.323 0.000 2.117 65 M HA -0.203 4.324 4.480 0.077 0.000 0.262 65 M C 2.227 178.409 176.300 -0.196 0.000 1.065 65 M CA 1.634 56.811 55.300 -0.205 0.000 1.114 65 M CB -1.341 31.224 32.600 -0.057 0.000 1.361 65 M HN 0.434 nan 8.290 nan 0.000 0.408 66 Q N -0.465 119.219 119.800 -0.194 0.000 2.061 66 Q HA -0.133 4.253 4.340 0.077 0.000 0.204 66 Q C 2.175 178.076 176.000 -0.165 0.000 0.984 66 Q CA 1.543 57.250 55.803 -0.161 0.000 0.846 66 Q CB -0.194 28.456 28.738 -0.146 0.000 0.902 66 Q HN 0.498 nan 8.270 nan 0.000 0.421 67 M N 0.120 119.588 119.600 -0.221 0.000 2.117 67 M HA -0.194 4.332 4.480 0.077 0.000 0.262 67 M C 2.138 178.353 176.300 -0.141 0.000 1.065 67 M CA 1.367 56.554 55.300 -0.188 0.000 1.114 67 M CB -0.274 32.169 32.600 -0.262 0.000 1.361 67 M HN 0.235 nan 8.290 nan 0.000 0.408 68 L N -0.779 120.336 121.223 -0.181 0.000 2.046 68 L HA -0.188 4.198 4.340 0.077 0.000 0.208 68 L C 2.413 179.225 176.870 -0.096 0.000 1.077 68 L CA 0.882 55.647 54.840 -0.125 0.000 0.747 68 L CB -0.672 41.285 42.059 -0.171 0.000 0.896 68 L HN 0.115 nan 8.230 nan 0.000 0.432 69 V N -0.565 119.283 119.914 -0.110 0.000 2.343 69 V HA -0.224 3.942 4.120 0.077 0.000 0.247 69 V C 2.537 178.588 176.094 -0.072 0.000 1.051 69 V CA 1.509 63.755 62.300 -0.090 0.000 1.036 69 V CB -0.447 31.319 31.823 -0.096 0.000 0.654 69 V HN 0.413 nan 8.190 nan 0.000 0.451 70 E N -0.163 119.995 120.200 -0.071 0.000 2.110 70 E HA -0.203 4.193 4.350 0.077 0.000 0.193 70 E C 2.093 178.673 176.600 -0.033 0.000 0.988 70 E CA 1.073 57.441 56.400 -0.052 0.000 0.804 70 E CB -0.413 29.256 29.700 -0.052 0.000 0.745 70 E HN 0.476 nan 8.360 nan 0.000 0.458 71 L N 0.909 122.117 121.223 -0.025 0.000 2.046 71 L HA -0.067 4.319 4.340 0.077 0.000 0.208 71 L C 2.184 179.041 176.870 -0.021 0.000 1.077 71 L CA 2.069 56.911 54.840 0.003 0.000 0.747 71 L CB -0.825 41.261 42.059 0.044 0.000 0.896 71 L HN 0.031 nan 8.230 nan 0.000 0.432 72 A N -0.483 122.313 122.820 -0.041 0.000 1.908 72 A HA -0.267 4.099 4.320 0.077 0.000 0.218 72 A C 2.356 179.914 177.584 -0.044 0.000 1.181 72 A CA 2.172 54.178 52.037 -0.051 0.000 0.627 72 A CB -0.554 18.415 19.000 -0.053 0.000 0.818 72 A HN 0.525 nan 8.150 nan 0.000 0.445 73 K N -0.658 119.716 120.400 -0.043 0.000 2.057 73 K HA -0.097 4.269 4.320 0.077 0.000 0.207 73 K C 2.431 179.012 176.600 -0.032 0.000 1.049 73 K CA 1.369 57.630 56.287 -0.042 0.000 0.931 73 K CB -0.250 32.222 32.500 -0.046 0.000 0.714 73 K HN 0.422 nan 8.250 nan 0.000 0.440 74 S N 0.462 116.148 115.700 -0.024 0.000 2.419 74 S HA -0.076 4.440 4.470 0.077 0.000 0.233 74 S C 1.625 176.217 174.600 -0.013 0.000 1.016 74 S CA 0.996 59.188 58.200 -0.012 0.000 0.974 74 S CB 0.014 63.215 63.200 0.002 0.000 0.786 74 S HN 0.158 nan 8.310 nan 0.000 0.492 75 R N 0.308 120.794 120.500 -0.024 0.000 2.310 75 R HA 0.186 4.572 4.340 0.077 0.000 0.202 75 R C 1.389 177.671 176.300 -0.030 0.000 0.933 75 R CA 0.624 56.705 56.100 -0.032 0.000 1.054 75 R CB -0.816 29.450 30.300 -0.058 0.000 0.985 75 R HN 0.493 nan 8.270 nan 0.000 0.489 76 G N 0.998 109.782 108.800 -0.026 0.000 2.246 76 G HA2 -0.251 3.755 3.960 0.077 0.000 0.273 76 G HA3 -0.251 3.755 3.960 0.077 0.000 0.273 76 G C 0.875 175.768 174.900 -0.011 0.000 1.055 76 G CA 0.372 45.461 45.100 -0.019 0.000 0.851 76 G HN 0.192 nan 8.290 nan 0.000 0.500 77 V N -0.304 119.600 119.914 -0.017 0.000 2.295 77 V HA -0.191 3.975 4.120 0.077 0.000 0.246 77 V C 2.634 178.748 176.094 0.034 0.000 1.049 77 V CA 2.884 65.193 62.300 0.016 0.000 1.024 77 V CB -0.466 31.368 31.823 0.018 0.000 0.648 77 V HN 0.675 nan 8.190 nan 0.000 0.447 78 E N 0.307 120.484 120.200 -0.039 0.000 2.058 78 E HA -0.218 4.178 4.350 0.077 0.000 0.194 78 E C 2.325 178.873 176.600 -0.086 0.000 0.997 78 E CA 1.435 57.768 56.400 -0.110 0.000 0.801 78 E CB -0.399 29.220 29.700 -0.135 0.000 0.746 78 E HN 0.597 nan 8.360 nan 0.000 0.450 79 A N 1.327 124.122 122.820 -0.042 0.000 1.933 79 A HA -0.115 4.251 4.320 0.077 0.000 0.218 79 A C 2.367 179.973 177.584 0.036 0.000 1.175 79 A CA 1.684 53.708 52.037 -0.023 0.000 0.628 79 A CB -0.644 18.347 19.000 -0.015 0.000 0.814 79 A HN 0.299 nan 8.150 nan 0.000 0.444 80 A N -0.175 122.705 122.820 0.100 0.000 1.877 80 A HA -0.165 4.201 4.320 0.077 0.000 0.216 80 A C 2.270 180.093 177.584 0.398 0.000 1.186 80 A CA 1.703 53.882 52.037 0.237 0.000 0.620 80 A CB -0.553 18.573 19.000 0.210 0.000 0.822 80 A HN 0.563 nan 8.150 nan 0.000 0.443 81 R N -0.203 120.511 120.500 0.356 0.000 2.080 81 R HA -0.210 4.176 4.340 0.077 0.000 0.236 81 R C 1.441 177.729 176.300 -0.020 0.000 1.137 81 R CA 2.156 58.333 56.100 0.128 0.000 0.943 81 R CB -0.566 29.574 30.300 -0.266 0.000 0.846 81 R HN 0.426 nan 8.270 nan 0.000 0.431 82 D N 0.437 120.768 120.400 -0.114 0.000 2.123 82 D HA -0.151 4.535 4.640 0.077 0.000 0.196 82 D C 1.630 177.919 176.300 -0.017 0.000 0.992 82 D CA 1.093 55.016 54.000 -0.129 0.000 0.833 82 D CB -0.479 40.233 40.800 -0.147 0.000 0.954 82 D HN 0.299 nan 8.370 nan 0.000 0.455 83 N N 0.234 118.949 118.700 0.026 0.000 2.120 83 N HA -0.127 4.659 4.740 0.077 0.000 0.188 83 N C 1.819 177.337 175.510 0.014 0.000 1.024 83 N CA 0.494 53.565 53.050 0.034 0.000 0.852 83 N CB -0.369 38.163 38.487 0.075 0.000 1.003 83 N HN 0.286 nan 8.380 nan 0.000 0.424 84 M N -0.365 119.253 119.600 0.030 0.000 2.065 84 M HA -0.157 4.369 4.480 0.077 0.000 0.259 84 M C 1.441 177.617 176.300 -0.206 0.000 1.069 84 M CA 1.664 56.882 55.300 -0.136 0.000 1.110 84 M CB -0.176 32.233 32.600 -0.318 0.000 1.328 84 M HN -0.058 nan 8.290 nan 0.000 0.405 85 F N 0.405 120.181 119.950 -0.290 0.000 2.269 85 F HA -0.142 4.432 4.527 0.079 0.000 0.301 85 F C 2.763 178.418 175.800 -0.242 0.000 1.082 85 F CA 1.626 59.458 58.000 -0.281 0.000 1.360 85 F CB -0.583 38.252 39.000 -0.275 0.000 1.041 85 F HN 0.395 nan 8.300 nan 0.000 0.512 86 S N -1.038 114.642 115.700 -0.034 0.000 2.593 86 S HA 0.329 4.845 4.470 0.077 0.000 0.217 86 S C 1.682 176.197 174.600 -0.141 0.000 0.966 86 S CA 0.394 58.544 58.200 -0.083 0.000 0.914 86 S CB -0.066 63.098 63.200 -0.060 0.000 0.776 86 S HN 0.546 nan 8.310 nan 0.000 0.523 87 G N 0.732 109.418 108.800 -0.190 0.000 2.132 87 G HA2 -0.229 3.777 3.960 0.077 0.000 0.234 87 G HA3 -0.229 3.777 3.960 0.077 0.000 0.234 87 G C 0.063 174.875 174.900 -0.146 0.000 0.989 87 G CA 0.026 44.983 45.100 -0.240 0.000 0.676 87 G HN 0.625 nan 8.290 nan 0.000 0.522 88 S N -0.111 115.537 115.700 -0.087 0.000 2.573 88 S HA 0.306 4.822 4.470 0.077 0.000 0.277 88 S C 0.847 175.444 174.600 -0.004 0.000 1.346 88 S CA 0.067 58.250 58.200 -0.027 0.000 1.034 88 S CB 0.894 64.098 63.200 0.007 0.000 0.879 88 S HN 0.405 nan 8.310 nan 0.000 0.528 89 K N 2.285 122.709 120.400 0.040 0.000 2.480 89 K HA 0.138 4.504 4.320 0.077 0.000 0.241 89 K C 1.093 177.775 176.600 0.137 0.000 1.261 89 K CA -0.038 56.296 56.287 0.078 0.000 1.193 89 K CB -0.603 31.953 32.500 0.094 0.000 1.598 89 K HN 0.600 nan 8.250 nan 0.000 0.278 90 I N -2.354 118.293 120.570 0.129 0.000 3.111 90 I HA -0.054 4.162 4.170 0.077 0.000 0.272 90 I C 0.688 176.963 176.117 0.264 0.000 1.268 90 I CA 0.285 61.727 61.300 0.238 0.000 1.467 90 I CB -0.050 38.094 38.000 0.241 0.000 1.087 90 I HN 0.129 nan 8.210 nan 0.000 0.467 91 N N 1.806 120.596 118.700 0.151 0.000 2.739 91 N HA -0.033 4.753 4.740 0.077 0.000 0.266 91 N C 0.602 176.160 175.510 0.080 0.000 1.168 91 N CA -0.265 52.836 53.050 0.086 0.000 1.055 91 N CB -0.092 38.462 38.487 0.112 0.000 1.393 91 N HN 0.542 nan 8.380 nan 0.000 0.514 92 Y N 0.343 120.762 120.300 0.198 0.000 2.457 92 Y HA 0.042 4.643 4.550 0.084 0.000 0.292 92 Y C 2.114 178.129 175.900 0.191 0.000 1.125 92 Y CA 0.919 59.120 58.100 0.169 0.000 1.254 92 Y CB -0.990 37.557 38.460 0.145 0.000 1.012 92 Y HN 0.298 nan 8.280 nan 0.000 0.555 93 T N -2.041 112.611 114.554 0.164 0.000 2.985 93 T HA -0.042 4.354 4.350 0.077 0.000 0.266 93 T C 1.225 176.147 174.700 0.369 0.000 1.076 93 T CA 1.315 63.615 62.100 0.333 0.000 1.135 93 T CB -0.242 68.925 68.868 0.498 0.000 0.890 93 T HN 0.553 nan 8.240 nan 0.000 0.480 94 E N 0.599 120.959 120.200 0.267 0.000 2.498 94 E HA 0.129 4.526 4.350 0.077 0.000 0.203 94 E C -0.204 176.507 176.600 0.184 0.000 1.013 94 E CA -0.065 56.479 56.400 0.240 0.000 0.927 94 E CB 0.217 30.002 29.700 0.142 0.000 1.012 94 E HN 0.381 nan 8.360 nan 0.000 0.482 95 D N 1.646 122.156 120.400 0.183 0.000 2.737 95 D HA -0.195 4.491 4.640 0.077 0.000 0.238 95 D C -0.910 175.477 176.300 0.145 0.000 1.157 95 D CA 0.843 54.941 54.000 0.162 0.000 0.694 95 D CB -0.641 40.246 40.800 0.145 0.000 1.021 95 D HN 0.113 nan 8.370 nan 0.000 0.420 96 R N -0.186 120.400 120.500 0.144 0.000 2.795 96 R HA 0.835 5.221 4.340 0.077 0.000 0.275 96 R C 0.069 176.444 176.300 0.125 0.000 0.981 96 R CA -0.465 55.726 56.100 0.152 0.000 0.917 96 R CB 1.608 32.005 30.300 0.160 0.000 1.202 96 R HN 0.164 nan 8.270 nan 0.000 0.469 97 A N 1.234 124.134 122.820 0.134 0.000 2.327 97 A HA 0.407 4.773 4.320 0.077 0.000 0.255 97 A C -0.381 177.219 177.584 0.026 0.000 1.099 97 A CA -0.222 51.830 52.037 0.024 0.000 0.801 97 A CB 0.605 19.542 19.000 -0.106 0.000 1.062 97 A HN 0.373 nan 8.150 nan 0.000 0.496 98 V N 1.486 121.299 119.914 -0.168 0.000 2.385 98 V HA 0.299 4.465 4.120 0.077 0.000 0.277 98 V C -0.302 175.535 176.094 -0.428 0.000 1.012 98 V CA 0.137 62.246 62.300 -0.317 0.000 0.832 98 V CB 0.540 31.895 31.823 -0.780 0.000 1.028 98 V HN 0.705 nan 8.190 nan 0.000 0.436 99 L N 4.750 125.861 121.223 -0.186 0.000 3.193 99 L HA 0.299 4.685 4.340 0.077 0.000 0.305 99 L C 1.851 178.673 176.870 -0.080 0.000 1.299 99 L CA -0.271 54.362 54.840 -0.345 0.000 0.904 99 L CB 0.151 41.792 42.059 -0.697 0.000 1.331 99 L HN 0.796 nan 8.230 nan 0.000 0.588 100 H N -0.534 118.546 119.070 0.017 0.000 2.457 100 H HA -0.117 4.485 4.556 0.077 0.000 0.297 100 H C 1.974 177.222 175.328 -0.133 0.000 1.092 100 H CA 1.693 57.787 56.048 0.077 0.000 1.309 100 H CB -0.656 29.192 29.762 0.143 0.000 1.382 100 H HN 0.434 nan 8.280 nan 0.000 0.535 101 V N -0.399 119.207 119.914 -0.513 0.000 2.594 101 V HA -0.007 4.159 4.120 0.077 0.000 0.253 101 V C 2.746 178.667 176.094 -0.288 0.000 1.069 101 V CA 1.316 63.337 62.300 -0.464 0.000 1.082 101 V CB -1.115 30.194 31.823 -0.857 0.000 0.680 101 V HN 0.487 nan 8.190 nan 0.000 0.469 102 A N 0.710 123.367 122.820 -0.271 0.000 1.968 102 A HA 0.080 4.446 4.320 0.077 0.000 0.217 102 A C 2.188 179.757 177.584 -0.025 0.000 1.169 102 A CA 1.721 53.639 52.037 -0.198 0.000 0.638 102 A CB -0.586 18.188 19.000 -0.378 0.000 0.812 102 A HN 0.584 nan 8.150 nan 0.000 0.446 103 L N -0.245 121.045 121.223 0.112 0.000 2.127 103 L HA -0.153 4.233 4.340 0.077 0.000 0.211 103 L C 2.326 179.274 176.870 0.131 0.000 1.089 103 L CA 1.562 56.550 54.840 0.245 0.000 0.757 103 L CB -0.371 41.926 42.059 0.397 0.000 0.899 103 L HN 0.546 nan 8.230 nan 0.000 0.434 104 R N -0.541 119.956 120.500 -0.005 0.000 2.586 104 R HA 0.091 4.477 4.340 0.077 0.000 0.336 104 R C 0.120 176.333 176.300 -0.145 0.000 1.060 104 R CA -0.207 55.849 56.100 -0.073 0.000 1.079 104 R CB -0.743 29.454 30.300 -0.171 0.000 1.317 104 R HN 0.040 nan 8.270 nan 0.000 0.568 105 N N 2.291 120.902 118.700 -0.148 0.000 2.671 105 N HA 0.011 4.797 4.740 0.077 0.000 0.274 105 N C 0.545 175.809 175.510 -0.410 0.000 1.188 105 N CA -0.165 52.728 53.050 -0.261 0.000 1.065 105 N CB 0.508 38.925 38.487 -0.116 0.000 1.415 105 N HN 0.057 nan 8.380 nan 0.000 0.511 106 R N 0.587 120.607 120.500 -0.801 0.000 2.152 106 R HA -0.086 4.300 4.340 0.077 0.000 0.232 106 R C 1.842 177.988 176.300 -0.256 0.000 1.117 106 R CA 1.081 56.921 56.100 -0.433 0.000 0.981 106 R CB -1.117 28.984 30.300 -0.332 0.000 0.870 106 R HN 0.660 nan 8.270 nan 0.000 0.451 107 S N 0.959 116.492 115.700 -0.279 0.000 2.447 107 S HA -0.122 4.395 4.470 0.077 0.000 0.233 107 S C 0.722 175.302 174.600 -0.033 0.000 1.006 107 S CA 0.687 58.868 58.200 -0.030 0.000 0.957 107 S CB -0.203 63.057 63.200 0.100 0.000 0.773 107 S HN 0.293 nan 8.310 nan 0.000 0.507 108 N N 0.738 119.397 118.700 -0.067 0.000 2.753 108 N HA -0.124 4.662 4.740 0.077 0.000 0.251 108 N C -0.764 174.726 175.510 -0.033 0.000 1.097 108 N CA 1.395 54.419 53.050 -0.044 0.000 0.786 108 N CB -2.429 36.044 38.487 -0.022 0.000 1.137 108 N HN 0.589 nan 8.380 nan 0.000 0.566 109 T N 2.342 116.881 114.554 -0.024 0.000 2.871 109 T HA 0.153 4.549 4.350 0.077 0.000 0.296 109 T C -2.134 172.537 174.700 -0.050 0.000 0.998 109 T CA -0.371 61.713 62.100 -0.026 0.000 1.162 109 T CB 0.723 69.585 68.868 -0.010 0.000 0.947 109 T HN 0.029 nan 8.240 nan 0.000 0.536 110 P HA 0.162 nan 4.420 nan 0.000 0.262 110 P C -0.556 176.683 177.300 -0.101 0.000 1.182 110 P CA 0.228 63.282 63.100 -0.076 0.000 0.761 110 P CB 0.228 31.890 31.700 -0.063 0.000 0.795 111 I N 3.558 124.040 120.570 -0.147 0.000 2.439 111 I HA 0.289 4.505 4.170 0.077 0.000 0.285 111 I C 0.342 176.321 176.117 -0.229 0.000 1.021 111 I CA -0.726 60.456 61.300 -0.197 0.000 1.091 111 I CB 1.671 39.512 38.000 -0.266 0.000 1.242 111 I HN 0.085 nan 8.210 nan 0.000 0.439 112 K N 5.377 125.662 120.400 -0.191 0.000 2.159 112 K HA 0.714 5.080 4.320 0.077 0.000 0.266 112 K C -1.055 175.428 176.600 -0.196 0.000 0.975 112 K CA -0.745 55.441 56.287 -0.168 0.000 0.865 112 K CB 2.734 35.169 32.500 -0.107 0.000 1.087 112 K HN 0.259 nan 8.250 nan 0.000 0.446 113 V N 3.024 122.830 119.914 -0.180 0.000 2.531 113 V HA 0.098 4.264 4.120 0.077 0.000 0.301 113 V C -0.460 175.605 176.094 -0.047 0.000 1.034 113 V CA -0.698 61.522 62.300 -0.133 0.000 0.865 113 V CB 1.516 33.239 31.823 -0.167 0.000 0.995 113 V HN 0.878 nan 8.190 nan 0.000 0.424 114 D N 4.064 124.452 120.400 -0.021 0.000 2.772 114 D HA -0.194 4.492 4.640 0.077 0.000 0.233 114 D C 1.323 177.619 176.300 -0.007 0.000 1.143 114 D CA 1.694 55.696 54.000 0.003 0.000 0.700 114 D CB -1.098 39.721 40.800 0.031 0.000 1.076 114 D HN 1.459 nan 8.370 nan 0.000 0.430 115 G N -0.301 108.484 108.800 -0.025 0.000 2.212 115 G HA2 -0.383 3.623 3.960 0.077 0.000 0.266 115 G HA3 -0.383 3.623 3.960 0.077 0.000 0.266 115 G C 0.342 175.222 174.900 -0.033 0.000 0.978 115 G CA 0.870 45.954 45.100 -0.027 0.000 0.632 115 G HN 0.601 nan 8.290 nan 0.000 0.537 116 K N 0.809 121.186 120.400 -0.038 0.000 2.274 116 K HA 0.440 4.806 4.320 0.077 0.000 0.262 116 K C -0.809 175.744 176.600 -0.077 0.000 0.961 116 K CA -0.826 55.437 56.287 -0.040 0.000 0.833 116 K CB 0.880 33.371 32.500 -0.015 0.000 1.102 116 K HN 0.033 nan 8.250 nan 0.000 0.436 117 D N 3.227 123.581 120.400 -0.077 0.000 2.450 117 D HA -0.057 4.629 4.640 0.077 0.000 0.247 117 D C 1.059 177.283 176.300 -0.126 0.000 1.162 117 D CA -0.057 53.879 54.000 -0.106 0.000 0.879 117 D CB 1.318 42.072 40.800 -0.077 0.000 1.163 117 D HN 0.328 nan 8.370 nan 0.000 0.472 118 V N 2.220 122.013 119.914 -0.202 0.000 3.235 118 V HA -0.076 4.090 4.120 0.077 0.000 0.259 118 V C 1.949 177.919 176.094 -0.207 0.000 1.133 118 V CA 0.275 62.426 62.300 -0.248 0.000 1.128 118 V CB -0.357 31.196 31.823 -0.451 0.000 0.757 118 V HN 0.417 nan 8.190 nan 0.000 0.469 119 M N 0.836 120.346 119.600 -0.149 0.000 2.086 119 M HA 0.034 4.560 4.480 0.077 0.000 0.261 119 M C 0.270 176.552 176.300 -0.030 0.000 1.067 119 M CA 1.510 56.759 55.300 -0.086 0.000 1.116 119 M CB -2.695 29.862 32.600 -0.071 0.000 1.348 119 M HN 0.315 nan 8.290 nan 0.000 0.407 120 P HA -0.171 nan 4.420 nan 0.000 0.216 120 P C 1.506 178.840 177.300 0.058 0.000 1.154 120 P CA 1.295 64.407 63.100 0.020 0.000 0.865 120 P CB -0.071 31.637 31.700 0.013 0.000 0.789 121 E N -0.800 119.419 120.200 0.032 0.000 2.112 121 E HA -0.067 4.330 4.350 0.077 0.000 0.190 121 E C 2.152 178.898 176.600 0.243 0.000 0.979 121 E CA 0.695 57.181 56.400 0.143 0.000 0.814 121 E CB -0.937 28.839 29.700 0.125 0.000 0.762 121 E HN 0.051 nan 8.360 nan 0.000 0.460 122 V N 2.678 122.606 119.914 0.023 0.000 2.282 122 V HA -0.289 3.877 4.120 0.077 0.000 0.249 122 V C 1.968 178.245 176.094 0.304 0.000 1.057 122 V CA 1.913 64.348 62.300 0.224 0.000 1.032 122 V CB -0.512 31.379 31.823 0.114 0.000 0.645 122 V HN 0.228 nan 8.190 nan 0.000 0.447 123 N N -0.398 118.417 118.700 0.192 0.000 2.270 123 N HA -0.119 4.667 4.740 0.077 0.000 0.181 123 N C 1.954 177.580 175.510 0.194 0.000 1.016 123 N CA 1.078 54.239 53.050 0.185 0.000 0.870 123 N CB -0.419 38.139 38.487 0.118 0.000 0.979 123 N HN 0.466 nan 8.380 nan 0.000 0.431 124 R N 0.940 121.554 120.500 0.190 0.000 2.081 124 R HA -0.045 4.342 4.340 0.077 0.000 0.235 124 R C 1.732 178.150 176.300 0.196 0.000 1.131 124 R CA 1.089 57.290 56.100 0.168 0.000 0.960 124 R CB -0.105 30.289 30.300 0.157 0.000 0.856 124 R HN -0.037 nan 8.270 nan 0.000 0.436 125 V N 1.365 121.454 119.914 0.291 0.000 2.427 125 V HA -0.214 3.952 4.120 0.077 0.000 0.248 125 V C 2.382 178.668 176.094 0.320 0.000 1.051 125 V CA 1.456 63.936 62.300 0.300 0.000 1.048 125 V CB -0.363 31.683 31.823 0.372 0.000 0.666 125 V HN 0.323 nan 8.190 nan 0.000 0.456 126 L N -0.180 121.258 121.223 0.358 0.000 2.042 126 L HA -0.208 4.178 4.340 0.077 0.000 0.210 126 L C 2.394 179.375 176.870 0.185 0.000 1.076 126 L CA 1.633 56.725 54.840 0.419 0.000 0.749 126 L CB -0.720 41.643 42.059 0.506 0.000 0.893 126 L HN 0.330 nan 8.230 nan 0.000 0.432 127 D N -0.098 120.376 120.400 0.123 0.000 2.117 127 D HA -0.208 4.478 4.640 0.077 0.000 0.197 127 D C 2.115 178.410 176.300 -0.010 0.000 0.987 127 D CA 1.133 55.135 54.000 0.004 0.000 0.829 127 D CB -0.058 40.771 40.800 0.049 0.000 0.961 127 D HN 0.220 nan 8.370 nan 0.000 0.460 128 K N 0.068 120.518 120.400 0.083 0.000 2.057 128 K HA -0.081 4.285 4.320 0.077 0.000 0.207 128 K C 2.171 178.937 176.600 0.278 0.000 1.049 128 K CA 0.768 57.128 56.287 0.121 0.000 0.931 128 K CB -0.037 32.490 32.500 0.045 0.000 0.714 128 K HN 0.081 nan 8.250 nan 0.000 0.440 129 M N 0.703 120.475 119.600 0.286 0.000 2.086 129 M HA -0.192 4.334 4.480 0.077 0.000 0.261 129 M C 2.345 178.612 176.300 -0.056 0.000 1.067 129 M CA 1.691 57.118 55.300 0.213 0.000 1.116 129 M CB -0.261 32.480 32.600 0.234 0.000 1.348 129 M HN 0.080 nan 8.290 nan 0.000 0.407 130 K N -0.185 119.873 120.400 -0.569 0.000 2.032 130 K HA -0.193 4.173 4.320 0.077 0.000 0.209 130 K C 2.232 178.676 176.600 -0.260 0.000 1.048 130 K CA 1.898 57.647 56.287 -0.897 0.000 0.927 130 K CB -0.194 31.557 32.500 -1.248 0.000 0.712 130 K HN 0.190 nan 8.250 nan 0.000 0.441 131 S N -0.173 115.467 115.700 -0.100 0.000 2.356 131 S HA -0.173 4.344 4.470 0.077 0.000 0.223 131 S C 1.794 176.467 174.600 0.122 0.000 1.032 131 S CA 1.157 59.374 58.200 0.029 0.000 1.005 131 S CB -0.503 62.740 63.200 0.072 0.000 0.867 131 S HN 0.448 nan 8.310 nan 0.000 0.449 132 F N 1.899 121.873 119.950 0.040 0.000 2.095 132 F HA -0.110 4.464 4.527 0.078 0.000 0.298 132 F C 2.548 178.313 175.800 -0.058 0.000 1.104 132 F CA 1.314 59.335 58.000 0.034 0.000 1.232 132 F CB -1.056 38.025 39.000 0.135 0.000 0.987 132 F HN 0.321 nan 8.300 nan 0.000 0.475 133 C N 0.342 119.587 119.300 -0.092 0.000 2.413 133 C HA -0.212 4.294 4.460 0.077 0.000 0.276 133 C C 2.835 177.737 174.990 -0.147 0.000 1.236 133 C CA 1.383 60.301 59.018 -0.167 0.000 1.735 133 C CB -1.202 26.540 27.740 0.004 0.000 2.031 133 C HN 0.566 nan 8.230 nan 0.000 0.474 134 Q N 0.989 120.745 119.800 -0.072 0.000 2.061 134 Q HA -0.188 4.198 4.340 0.077 0.000 0.204 134 Q C 2.374 178.345 176.000 -0.047 0.000 0.984 134 Q CA 1.708 57.488 55.803 -0.038 0.000 0.846 134 Q CB -0.308 28.424 28.738 -0.009 0.000 0.902 134 Q HN 0.646 nan 8.270 nan 0.000 0.421 135 R N -0.671 119.801 120.500 -0.048 0.000 2.081 135 R HA -0.095 4.291 4.340 0.077 0.000 0.235 135 R C 2.476 178.758 176.300 -0.030 0.000 1.131 135 R CA 1.523 57.637 56.100 0.024 0.000 0.960 135 R CB -0.220 30.188 30.300 0.179 0.000 0.856 135 R HN 0.118 nan 8.270 nan 0.000 0.436 136 V N 0.698 120.439 119.914 -0.288 0.000 2.283 136 V HA -0.193 3.973 4.120 0.077 0.000 0.243 136 V C 2.228 178.228 176.094 -0.157 0.000 1.039 136 V CA 1.650 63.754 62.300 -0.326 0.000 1.016 136 V CB -0.456 30.931 31.823 -0.727 0.000 0.650 136 V HN 0.254 nan 8.190 nan 0.000 0.449 137 R N 0.998 121.408 120.500 -0.150 0.000 2.096 137 R HA -0.127 4.259 4.340 0.077 0.000 0.235 137 R C 2.503 178.783 176.300 -0.033 0.000 1.127 137 R CA 1.606 57.660 56.100 -0.076 0.000 0.968 137 R CB -0.486 29.780 30.300 -0.057 0.000 0.861 137 R HN 0.691 nan 8.270 nan 0.000 0.440 138 S N -0.890 114.797 115.700 -0.023 0.000 2.474 138 S HA 0.014 4.530 4.470 0.077 0.000 0.235 138 S C 1.558 176.164 174.600 0.011 0.000 0.997 138 S CA 0.738 58.938 58.200 -0.000 0.000 0.949 138 S CB 0.238 63.442 63.200 0.008 0.000 0.766 138 S HN 0.533 nan 8.310 nan 0.000 0.517 139 G N 0.962 109.772 108.800 0.016 0.000 2.176 139 G HA2 -0.262 3.745 3.960 0.077 0.000 0.253 139 G HA3 -0.262 3.745 3.960 0.077 0.000 0.253 139 G C 0.415 175.347 174.900 0.053 0.000 0.979 139 G CA 0.398 45.519 45.100 0.035 0.000 0.641 139 G HN 0.500 nan 8.290 nan 0.000 0.530 140 D N -0.865 119.571 120.400 0.060 0.000 2.117 140 D HA -0.025 4.661 4.640 0.077 0.000 0.198 140 D C 1.242 177.596 176.300 0.090 0.000 0.982 140 D CA 0.553 54.590 54.000 0.062 0.000 0.828 140 D CB -0.097 40.739 40.800 0.060 0.000 0.967 140 D HN 0.517 nan 8.370 nan 0.000 0.464 141 W N 2.728 123.994 121.300 -0.057 0.000 2.381 141 W HA 0.071 4.778 4.660 0.078 0.000 0.321 141 W C -0.177 176.316 176.519 -0.044 0.000 1.407 141 W CA 0.123 57.436 57.345 -0.053 0.000 1.274 141 W CB 0.310 29.702 29.460 -0.114 0.000 1.310 141 W HN -0.230 nan 8.180 nan 0.000 0.551 142 K N 4.666 124.965 120.400 -0.167 0.000 2.203 142 K HA 0.494 4.860 4.320 0.077 0.000 0.251 142 K C 0.478 177.039 176.600 -0.065 0.000 0.944 142 K CA -0.613 55.642 56.287 -0.053 0.000 0.829 142 K CB 1.656 34.116 32.500 -0.067 0.000 1.125 142 K HN 0.593 nan 8.250 nan 0.000 0.430 143 G N 0.417 109.261 108.800 0.074 0.000 2.588 143 G HA2 0.058 4.064 3.960 0.077 0.000 0.278 143 G HA3 0.058 4.064 3.960 0.077 0.000 0.278 143 G C 0.698 175.787 174.900 0.316 0.000 1.307 143 G CA -0.184 45.033 45.100 0.196 0.000 1.016 143 G HN 0.730 nan 8.290 nan 0.000 0.503 144 Y N -1.903 118.763 120.300 0.610 0.000 2.421 144 Y HA -0.013 4.583 4.550 0.077 0.000 0.292 144 Y C 2.249 178.245 175.900 0.159 0.000 1.136 144 Y CA 1.498 59.801 58.100 0.337 0.000 1.255 144 Y CB -0.426 38.252 38.460 0.363 0.000 0.991 144 Y HN 0.338 nan 8.280 nan 0.000 0.552 145 T N -3.435 110.866 114.554 -0.421 0.000 3.105 145 T HA 0.468 4.864 4.350 0.077 0.000 0.253 145 T C 1.373 175.997 174.700 -0.127 0.000 1.047 145 T CA 0.120 62.026 62.100 -0.323 0.000 0.944 145 T CB -0.170 68.423 68.868 -0.459 0.000 1.016 145 T HN 0.899 nan 8.240 nan 0.000 0.544 146 G N 1.310 110.076 108.800 -0.057 0.000 2.142 146 G HA2 -0.203 3.803 3.960 0.077 0.000 0.225 146 G HA3 -0.203 3.803 3.960 0.077 0.000 0.225 146 G C -0.241 174.649 174.900 -0.016 0.000 1.015 146 G CA -0.151 44.932 45.100 -0.029 0.000 0.716 146 G HN 0.662 nan 8.290 nan 0.000 0.508 147 K N 0.452 120.853 120.400 0.001 0.000 2.156 147 K HA 0.628 4.994 4.320 0.077 0.000 0.254 147 K C 0.495 177.130 176.600 0.058 0.000 0.950 147 K CA -0.589 55.711 56.287 0.022 0.000 0.849 147 K CB 1.438 33.949 32.500 0.018 0.000 1.100 147 K HN 0.122 nan 8.250 nan 0.000 0.434 148 S N 1.673 117.406 115.700 0.055 0.000 2.579 148 S HA 0.132 4.648 4.470 0.077 0.000 0.275 148 S C 0.458 175.111 174.600 0.088 0.000 1.345 148 S CA -0.513 57.731 58.200 0.073 0.000 1.031 148 S CB 0.269 63.499 63.200 0.050 0.000 0.892 148 S HN 0.309 nan 8.310 nan 0.000 0.529 149 I N 2.929 123.555 120.570 0.094 0.000 2.496 149 I HA 0.098 4.314 4.170 0.077 0.000 0.285 149 I C 1.664 177.804 176.117 0.038 0.000 1.080 149 I CA 0.299 61.640 61.300 0.068 0.000 1.404 149 I CB 0.516 38.524 38.000 0.013 0.000 1.403 149 I HN 0.874 nan 8.210 nan 0.000 0.539 150 T N 0.364 114.949 114.554 0.052 0.000 2.971 150 T HA 0.243 4.639 4.350 0.077 0.000 0.252 150 T C 0.362 175.105 174.700 0.071 0.000 1.022 150 T CA -0.108 62.028 62.100 0.059 0.000 0.980 150 T CB 0.565 69.479 68.868 0.077 0.000 1.044 150 T HN 0.506 nan 8.240 nan 0.000 0.501 151 D N 0.580 121.008 120.400 0.046 0.000 2.879 151 D HA 0.537 5.223 4.640 0.077 0.000 0.236 151 D C -1.419 174.836 176.300 -0.074 0.000 1.171 151 D CA -0.455 53.584 54.000 0.066 0.000 0.868 151 D CB 2.803 43.644 40.800 0.068 0.000 1.598 151 D HN 0.181 nan 8.370 nan 0.000 0.497 152 I N 2.045 122.575 120.570 -0.066 0.000 2.433 152 I HA 0.330 4.546 4.170 0.077 0.000 0.292 152 I C -0.801 175.165 176.117 -0.251 0.000 1.001 152 I CA -0.594 60.580 61.300 -0.209 0.000 1.119 152 I CB 1.741 39.626 38.000 -0.193 0.000 1.289 152 I HN 0.206 nan 8.210 nan 0.000 0.438 153 I N 5.860 126.186 120.570 -0.407 0.000 2.420 153 I HA 0.281 4.497 4.170 0.077 0.000 0.282 153 I C -0.244 175.708 176.117 -0.276 0.000 1.019 153 I CA -0.373 60.703 61.300 -0.373 0.000 1.130 153 I CB 1.274 38.962 38.000 -0.521 0.000 1.262 153 I HN 0.402 nan 8.210 nan 0.000 0.454 154 N N 6.518 125.001 118.700 -0.362 0.000 2.430 154 N HA 0.466 5.252 4.740 0.077 0.000 0.265 154 N C -0.976 174.487 175.510 -0.078 0.000 1.100 154 N CA -0.035 52.886 53.050 -0.215 0.000 0.961 154 N CB 0.658 38.998 38.487 -0.245 0.000 1.075 154 N HN 0.476 nan 8.380 nan 0.000 0.478 155 I N 2.895 123.453 120.570 -0.020 0.000 2.355 155 I HA 0.600 4.817 4.170 0.077 0.000 0.288 155 I C 0.673 176.774 176.117 -0.027 0.000 0.999 155 I CA -0.507 60.783 61.300 -0.017 0.000 1.163 155 I CB 1.373 39.366 38.000 -0.011 0.000 1.316 155 I HN 0.605 nan 8.210 nan 0.000 0.454 156 G N 6.072 114.866 108.800 -0.009 0.000 2.466 156 G HA2 0.600 4.606 3.960 0.077 0.000 0.291 156 G HA3 0.600 4.606 3.960 0.077 0.000 0.291 156 G C -2.094 172.807 174.900 0.003 0.000 1.460 156 G CA -0.462 44.630 45.100 -0.014 0.000 0.791 156 G HN 0.490 nan 8.290 nan 0.000 0.505 157 I N -0.233 120.330 120.570 -0.013 0.000 2.865 157 I HA 0.647 4.864 4.170 0.077 0.000 0.302 157 I C 1.040 177.137 176.117 -0.032 0.000 1.140 157 I CA 0.767 62.060 61.300 -0.012 0.000 1.021 157 I CB 2.014 40.006 38.000 -0.013 0.000 1.233 157 I HN 1.901 nan 8.210 nan 0.000 0.427 158 G N 3.828 112.599 108.800 -0.049 0.000 2.591 158 G HA2 -0.344 3.662 3.960 0.077 0.000 0.298 158 G HA3 -0.344 3.662 3.960 0.077 0.000 0.298 158 G C 0.916 175.754 174.900 -0.103 0.000 1.195 158 G CA 0.479 45.529 45.100 -0.085 0.000 0.989 158 G HN 1.332 nan 8.290 nan 0.000 0.551 159 G N -0.592 108.146 108.800 -0.104 0.000 2.479 159 G HA2 0.123 4.129 3.960 0.077 0.000 0.220 159 G HA3 0.123 4.129 3.960 0.077 0.000 0.220 159 G C 1.704 176.561 174.900 -0.072 0.000 1.115 159 G CA 1.920 46.955 45.100 -0.107 0.000 0.757 159 G HN 1.209 nan 8.290 nan 0.000 0.560 160 S N -0.613 115.062 115.700 -0.040 0.000 2.634 160 S HA 0.178 4.694 4.470 0.077 0.000 0.221 160 S C 1.097 175.691 174.600 -0.010 0.000 0.952 160 S CA 0.631 58.818 58.200 -0.023 0.000 0.930 160 S CB 0.283 63.492 63.200 0.015 0.000 0.780 160 S HN 0.662 nan 8.310 nan 0.000 0.498 161 D N 0.007 120.387 120.400 -0.032 0.000 2.954 161 D HA 0.105 4.791 4.640 0.077 0.000 0.266 161 D C 1.519 177.734 176.300 -0.141 0.000 1.277 161 D CA -0.155 53.833 54.000 -0.020 0.000 1.130 161 D CB -0.542 40.260 40.800 0.004 0.000 1.440 161 D HN 0.074 nan 8.370 nan 0.000 0.427 162 L N 1.072 122.216 121.223 -0.132 0.000 2.093 162 L HA 0.289 4.675 4.340 0.077 0.000 0.208 162 L C 2.126 178.931 176.870 -0.107 0.000 1.085 162 L CA 2.357 57.112 54.840 -0.142 0.000 0.755 162 L CB -1.067 40.919 42.059 -0.122 0.000 0.904 162 L HN 0.297 nan 8.230 nan 0.000 0.435 163 G N -0.152 108.628 108.800 -0.033 0.000 2.511 163 G HA2 -0.218 3.788 3.960 0.077 0.000 0.216 163 G HA3 -0.218 3.788 3.960 0.077 0.000 0.216 163 G C -0.596 174.100 174.900 -0.341 0.000 1.218 163 G CA 0.917 45.900 45.100 -0.196 0.000 0.788 163 G HN 0.341 nan 8.290 nan 0.000 0.560 164 P HA -0.095 nan 4.420 nan 0.000 0.216 164 P C 2.100 179.123 177.300 -0.461 0.000 1.153 164 P CA 0.681 63.669 63.100 -0.187 0.000 0.858 164 P CB -0.129 31.614 31.700 0.071 0.000 0.789 165 L N -1.592 119.074 121.223 -0.929 0.000 1.994 165 L HA -0.167 4.219 4.340 0.077 0.000 0.208 165 L C 2.386 178.914 176.870 -0.570 0.000 1.071 165 L CA 1.796 55.874 54.840 -1.269 0.000 0.745 165 L CB -0.623 40.806 42.059 -1.049 0.000 0.892 165 L HN -0.056 nan 8.230 nan 0.000 0.431 166 M N -0.812 118.534 119.600 -0.424 0.000 2.117 166 M HA -0.165 4.361 4.480 0.077 0.000 0.262 166 M C 2.138 178.298 176.300 -0.234 0.000 1.065 166 M CA 1.982 57.096 55.300 -0.310 0.000 1.114 166 M CB -0.485 31.912 32.600 -0.338 0.000 1.361 166 M HN 0.217 nan 8.290 nan 0.000 0.408 167 V N 0.717 120.465 119.914 -0.277 0.000 2.379 167 V HA -0.229 3.937 4.120 0.077 0.000 0.245 167 V C 2.603 178.657 176.094 -0.066 0.000 1.044 167 V CA 2.212 64.402 62.300 -0.183 0.000 1.036 167 V CB -1.534 30.148 31.823 -0.235 0.000 0.664 167 V HN 0.674 nan 8.190 nan 0.000 0.453 168 T N -2.220 112.312 114.554 -0.036 0.000 2.833 168 T HA -0.181 4.215 4.350 0.077 0.000 0.269 168 T C 1.702 176.462 174.700 0.099 0.000 1.054 168 T CA 1.278 63.441 62.100 0.105 0.000 1.135 168 T CB -0.266 68.700 68.868 0.162 0.000 0.869 168 T HN 0.406 nan 8.240 nan 0.000 0.466 169 E N 1.771 121.991 120.200 0.034 0.000 2.072 169 E HA 0.065 4.461 4.350 0.077 0.000 0.191 169 E C 2.624 179.313 176.600 0.147 0.000 0.985 169 E CA 1.319 57.799 56.400 0.132 0.000 0.801 169 E CB -0.685 29.089 29.700 0.124 0.000 0.750 169 E HN 0.691 nan 8.360 nan 0.000 0.452 170 A N 0.666 123.532 122.820 0.077 0.000 2.015 170 A HA -0.044 4.323 4.320 0.077 0.000 0.219 170 A C 1.973 179.535 177.584 -0.036 0.000 1.163 170 A CA 0.766 52.856 52.037 0.088 0.000 0.646 170 A CB -0.221 18.820 19.000 0.068 0.000 0.806 170 A HN 0.165 nan 8.150 nan 0.000 0.448 171 L N -1.101 120.096 121.223 -0.042 0.000 2.872 171 L HA 0.150 4.537 4.340 0.077 0.000 0.245 171 L C 1.670 178.501 176.870 -0.066 0.000 1.211 171 L CA -0.234 54.612 54.840 0.009 0.000 1.013 171 L CB 0.182 42.255 42.059 0.022 0.000 1.326 171 L HN 0.147 nan 8.230 nan 0.000 0.525 172 K N 2.019 122.264 120.400 -0.259 0.000 2.089 172 K HA -0.161 4.205 4.320 0.077 0.000 0.210 172 K C -0.728 175.691 176.600 -0.303 0.000 1.048 172 K CA 1.971 58.124 56.287 -0.223 0.000 0.926 172 K CB -1.047 31.358 32.500 -0.159 0.000 0.714 172 K HN 0.119 nan 8.250 nan 0.000 0.448 173 P HA -0.126 nan 4.420 nan 0.000 0.223 173 P C 0.203 177.159 177.300 -0.574 0.000 1.144 173 P CA 1.186 63.977 63.100 -0.515 0.000 0.783 173 P CB -0.057 31.198 31.700 -0.742 0.000 0.771 174 Y N -1.216 118.915 120.300 -0.281 0.000 2.461 174 Y HA 0.093 4.689 4.550 0.077 0.000 0.277 174 Y C 1.916 177.693 175.900 -0.204 0.000 1.182 174 Y CA 0.287 58.210 58.100 -0.296 0.000 1.276 174 Y CB -0.419 37.705 38.460 -0.559 0.000 1.087 174 Y HN 0.040 nan 8.280 nan 0.000 0.519 175 S N -1.102 114.487 115.700 -0.184 0.000 2.557 175 S HA 0.134 4.650 4.470 0.077 0.000 0.223 175 S C 0.318 174.787 174.600 -0.219 0.000 0.969 175 S CA -0.616 57.368 58.200 -0.359 0.000 0.927 175 S CB -0.221 62.469 63.200 -0.851 0.000 0.806 175 S HN 0.121 nan 8.310 nan 0.000 0.489 176 K N 1.449 121.778 120.400 -0.118 0.000 2.472 176 K HA 0.335 4.701 4.320 0.077 0.000 0.280 176 K C 1.254 177.830 176.600 -0.040 0.000 1.028 176 K CA 0.829 57.076 56.287 -0.066 0.000 1.045 176 K CB 0.038 32.510 32.500 -0.048 0.000 0.902 176 K HN 0.440 nan 8.250 nan 0.000 0.478 177 G N 2.108 110.890 108.800 -0.031 0.000 2.253 177 G HA2 -0.250 3.757 3.960 0.077 0.000 0.251 177 G HA3 -0.250 3.757 3.960 0.077 0.000 0.251 177 G C 0.511 175.400 174.900 -0.019 0.000 0.998 177 G CA -0.124 44.967 45.100 -0.015 0.000 0.621 177 G HN 0.861 nan 8.290 nan 0.000 0.524 178 G N 0.795 109.568 108.800 -0.045 0.000 2.562 178 G HA2 0.660 4.666 3.960 0.077 0.000 0.275 178 G HA3 0.660 4.666 3.960 0.077 0.000 0.275 178 G C -1.569 173.339 174.900 0.015 0.000 1.196 178 G CA -0.325 44.754 45.100 -0.035 0.000 0.908 178 G HN 0.331 nan 8.290 nan 0.000 0.524 179 P HA 0.198 nan 4.420 nan 0.000 0.274 179 P C -0.181 177.204 177.300 0.141 0.000 1.231 179 P CA -0.373 62.765 63.100 0.064 0.000 0.790 179 P CB 1.051 32.757 31.700 0.011 0.000 0.951 180 R N 0.320 120.879 120.500 0.099 0.000 2.623 180 R HA 0.325 4.711 4.340 0.077 0.000 0.271 180 R C -0.076 176.176 176.300 -0.081 0.000 1.043 180 R CA -0.269 55.850 56.100 0.031 0.000 1.083 180 R CB 0.311 30.632 30.300 0.035 0.000 0.974 180 R HN 0.286 nan 8.270 nan 0.000 0.436 181 V N 4.030 123.720 119.914 -0.373 0.000 2.555 181 V HA 0.470 4.636 4.120 0.077 0.000 0.302 181 V C -1.482 174.268 176.094 -0.575 0.000 1.038 181 V CA -0.632 61.381 62.300 -0.477 0.000 0.887 181 V CB 1.173 32.575 31.823 -0.701 0.000 0.991 181 V HN 0.656 nan 8.190 nan 0.000 0.434 182 W N 5.013 125.980 121.300 -0.554 0.000 2.761 182 W HA 0.717 5.421 4.660 0.075 0.000 0.340 182 W C -1.044 175.048 176.519 -0.710 0.000 1.072 182 W CA -0.704 56.389 57.345 -0.420 0.000 1.215 182 W CB 1.688 30.972 29.460 -0.294 0.000 1.420 182 W HN 0.380 nan 8.180 nan 0.000 0.519 183 F N 2.048 122.039 119.950 0.068 0.000 2.477 183 F HA 0.591 5.163 4.527 0.075 0.000 0.335 183 F C -0.237 175.456 175.800 -0.178 0.000 1.130 183 F CA -1.184 56.796 58.000 -0.033 0.000 0.948 183 F CB 1.239 40.221 39.000 -0.029 0.000 1.154 183 F HN -0.184 nan 8.300 nan 0.000 0.439 184 V N 2.881 122.718 119.914 -0.129 0.000 2.417 184 V HA 0.464 4.630 4.120 0.077 0.000 0.291 184 V C 0.032 176.030 176.094 -0.161 0.000 1.024 184 V CA -0.071 61.970 62.300 -0.431 0.000 0.861 184 V CB 1.514 33.176 31.823 -0.267 0.000 0.985 184 V HN 0.955 nan 8.190 nan 0.000 0.436 185 S N 2.778 118.450 115.700 -0.045 0.000 3.552 185 S HA 0.154 4.670 4.470 0.077 0.000 0.251 185 S C 0.637 175.334 174.600 0.162 0.000 1.119 185 S CA -0.214 58.057 58.200 0.118 0.000 0.830 185 S CB -0.144 63.154 63.200 0.163 0.000 0.946 185 S HN 0.540 nan 8.310 nan 0.000 0.470 186 N N 1.674 120.578 118.700 0.340 0.000 2.454 186 N HA 0.166 4.952 4.740 0.077 0.000 0.254 186 N C 0.766 176.345 175.510 0.115 0.000 1.228 186 N CA -0.048 53.102 53.050 0.167 0.000 0.900 186 N CB 0.878 39.421 38.487 0.093 0.000 1.089 186 N HN 0.335 nan 8.380 nan 0.000 0.449 187 I N 1.855 122.457 120.570 0.053 0.000 2.394 187 I HA -0.120 4.096 4.170 0.077 0.000 0.251 187 I C 0.320 176.461 176.117 0.039 0.000 1.136 187 I CA 0.653 61.973 61.300 0.033 0.000 1.425 187 I CB -0.582 37.426 38.000 0.013 0.000 1.079 187 I HN 0.570 nan 8.210 nan 0.000 0.425 188 D N 0.738 121.162 120.400 0.039 0.000 2.662 188 D HA -0.071 4.615 4.640 0.077 0.000 0.237 188 D C 1.588 177.920 176.300 0.052 0.000 1.154 188 D CA 0.930 54.950 54.000 0.032 0.000 0.861 188 D CB 0.702 41.510 40.800 0.012 0.000 1.146 188 D HN 0.368 nan 8.370 nan 0.000 0.518 189 G N 3.282 112.104 108.800 0.036 0.000 2.479 189 G HA2 -0.290 3.716 3.960 0.077 0.000 0.220 189 G HA3 -0.290 3.716 3.960 0.077 0.000 0.220 189 G C 1.500 176.426 174.900 0.043 0.000 1.115 189 G CA 1.116 46.236 45.100 0.033 0.000 0.757 189 G HN 0.588 nan 8.290 nan 0.000 0.560 190 T N -0.477 114.106 114.554 0.048 0.000 2.699 190 T HA -0.174 4.222 4.350 0.077 0.000 0.268 190 T C 1.881 176.649 174.700 0.114 0.000 1.036 190 T CA 1.510 63.644 62.100 0.056 0.000 1.147 190 T CB -0.371 68.517 68.868 0.032 0.000 0.862 190 T HN 0.601 nan 8.240 nan 0.000 0.446 191 H N -0.567 118.508 119.070 0.010 0.000 2.270 191 H HA -0.061 4.540 4.556 0.074 0.000 0.299 191 H C 2.383 177.710 175.328 -0.002 0.000 1.077 191 H CA 1.326 57.387 56.048 0.021 0.000 1.294 191 H CB -0.083 29.696 29.762 0.028 0.000 1.371 191 H HN 0.189 nan 8.280 nan 0.000 0.491 192 I N 0.756 121.355 120.570 0.048 0.000 2.315 192 I HA -0.151 4.065 4.170 0.077 0.000 0.248 192 I C 2.444 178.490 176.117 -0.118 0.000 1.117 192 I CA 1.332 62.584 61.300 -0.080 0.000 1.404 192 I CB -0.490 37.459 38.000 -0.084 0.000 1.071 192 I HN 0.319 nan 8.210 nan 0.000 0.419 193 A N 0.154 122.940 122.820 -0.057 0.000 1.877 193 A HA -0.193 4.173 4.320 0.077 0.000 0.216 193 A C 2.304 179.845 177.584 -0.071 0.000 1.186 193 A CA 1.538 53.533 52.037 -0.070 0.000 0.620 193 A CB -0.542 18.448 19.000 -0.017 0.000 0.822 193 A HN 0.301 nan 8.150 nan 0.000 0.443 194 K N -0.636 119.756 120.400 -0.013 0.000 2.155 194 K HA -0.050 4.316 4.320 0.077 0.000 0.203 194 K C 2.075 178.651 176.600 -0.041 0.000 1.052 194 K CA 1.561 57.855 56.287 0.013 0.000 0.948 194 K CB -0.669 31.882 32.500 0.085 0.000 0.728 194 K HN 0.523 nan 8.250 nan 0.000 0.448 195 T N 2.252 116.744 114.554 -0.102 0.000 2.701 195 T HA -0.043 4.353 4.350 0.077 0.000 0.263 195 T C 2.001 176.374 174.700 -0.544 0.000 1.040 195 T CA 0.928 62.834 62.100 -0.324 0.000 1.147 195 T CB -0.159 68.553 68.868 -0.260 0.000 0.865 195 T HN 0.104 nan 8.240 nan 0.000 0.426 196 L N 0.929 121.856 121.223 -0.493 0.000 2.131 196 L HA -0.040 4.346 4.340 0.077 0.000 0.210 196 L C 2.987 179.647 176.870 -0.350 0.000 1.092 196 L CA 0.900 55.320 54.840 -0.701 0.000 0.759 196 L CB -0.706 40.712 42.059 -1.068 0.000 0.903 196 L HN 0.241 nan 8.230 nan 0.000 0.435 197 A N -0.811 121.891 122.820 -0.196 0.000 2.076 197 A HA -0.151 4.215 4.320 0.077 0.000 0.220 197 A C 2.292 179.859 177.584 -0.027 0.000 1.160 197 A CA 1.876 53.886 52.037 -0.044 0.000 0.653 197 A CB -0.317 18.674 19.000 -0.014 0.000 0.801 197 A HN 0.380 nan 8.150 nan 0.000 0.455 198 S N -1.100 114.519 115.700 -0.136 0.000 2.557 198 S HA 0.441 4.958 4.470 0.077 0.000 0.223 198 S C 0.172 174.701 174.600 -0.119 0.000 0.969 198 S CA -0.197 57.949 58.200 -0.091 0.000 0.927 198 S CB -0.154 63.005 63.200 -0.069 0.000 0.806 198 S HN 0.395 nan 8.310 nan 0.000 0.489 199 L N 0.402 121.559 121.223 -0.110 0.000 2.323 199 L HA 0.606 4.992 4.340 0.077 0.000 0.265 199 L C -0.050 176.986 176.870 0.277 0.000 1.012 199 L CA -0.637 54.194 54.840 -0.014 0.000 0.820 199 L CB 1.914 43.852 42.059 -0.201 0.000 1.334 199 L HN -0.038 nan 8.230 nan 0.000 0.427 200 S N 0.366 116.226 115.700 0.267 0.000 2.454 200 S HA 0.463 4.979 4.470 0.077 0.000 0.306 200 S C -2.033 172.775 174.600 0.347 0.000 1.100 200 S CA -1.567 56.792 58.200 0.266 0.000 1.087 200 S CB 1.583 64.870 63.200 0.144 0.000 1.019 200 S HN 0.330 nan 8.310 nan 0.000 0.480 201 P HA -0.071 nan 4.420 nan 0.000 0.219 201 P C 0.711 178.232 177.300 0.367 0.000 1.146 201 P CA 1.098 64.293 63.100 0.159 0.000 0.808 201 P CB 0.100 31.583 31.700 -0.362 0.000 0.779 202 E N -1.039 119.316 120.200 0.258 0.000 2.204 202 E HA -0.077 4.319 4.350 0.077 0.000 0.194 202 E C 0.945 177.756 176.600 0.352 0.000 0.989 202 E CA 1.609 58.118 56.400 0.182 0.000 0.824 202 E CB -0.399 29.264 29.700 -0.063 0.000 0.756 202 E HN 0.388 nan 8.360 nan 0.000 0.477 203 T N -2.649 112.087 114.554 0.304 0.000 3.170 203 T HA 0.243 4.639 4.350 0.077 0.000 0.288 203 T C 0.235 175.053 174.700 0.197 0.000 0.992 203 T CA -0.527 61.715 62.100 0.237 0.000 0.909 203 T CB 0.701 69.652 68.868 0.138 0.000 1.133 203 T HN -0.205 nan 8.240 nan 0.000 0.530 204 S N 1.918 117.774 115.700 0.260 0.000 2.451 204 S HA 0.719 5.235 4.470 0.077 0.000 0.301 204 S C -0.942 173.648 174.600 -0.016 0.000 1.116 204 S CA -0.749 57.457 58.200 0.011 0.000 1.093 204 S CB 1.615 64.762 63.200 -0.088 0.000 1.017 204 S HN 0.477 nan 8.310 nan 0.000 0.482 205 L N 4.122 125.186 121.223 -0.265 0.000 2.305 205 L HA 0.652 5.038 4.340 0.077 0.000 0.284 205 L C -1.606 174.950 176.870 -0.524 0.000 1.013 205 L CA -0.309 54.375 54.840 -0.260 0.000 0.819 205 L CB 0.224 42.175 42.059 -0.180 0.000 1.227 205 L HN 0.491 nan 8.230 nan 0.000 0.417 206 F N 5.636 125.347 119.950 -0.399 0.000 2.394 206 F HA 0.524 5.097 4.527 0.076 0.000 0.340 206 F C 0.167 175.815 175.800 -0.253 0.000 1.105 206 F CA -0.265 57.469 58.000 -0.444 0.000 1.124 206 F CB 1.154 39.637 39.000 -0.863 0.000 1.145 206 F HN 0.262 nan 8.300 nan 0.000 0.505 207 I N 5.127 125.692 120.570 -0.008 0.000 2.390 207 I HA 0.254 4.470 4.170 0.077 0.000 0.283 207 I C -0.889 175.259 176.117 0.051 0.000 1.016 207 I CA -0.536 60.764 61.300 -0.000 0.000 1.151 207 I CB 0.994 38.937 38.000 -0.096 0.000 1.293 207 I HN 0.297 nan 8.210 nan 0.000 0.458 208 I N 5.844 126.490 120.570 0.126 0.000 2.291 208 I HA 0.352 4.569 4.170 0.077 0.000 0.292 208 I C 0.689 176.886 176.117 0.134 0.000 1.064 208 I CA -0.332 61.017 61.300 0.082 0.000 1.269 208 I CB 0.612 38.641 38.000 0.048 0.000 1.418 208 I HN 0.513 nan 8.210 nan 0.000 0.485 209 A N 4.961 127.810 122.820 0.048 0.000 2.253 209 A HA 0.643 5.009 4.320 0.077 0.000 0.316 209 A C 0.170 177.798 177.584 0.074 0.000 1.327 209 A CA -0.350 51.740 52.037 0.088 0.000 0.917 209 A CB 0.699 19.719 19.000 0.034 0.000 1.162 209 A HN 0.645 nan 8.150 nan 0.000 0.535 210 S N 2.128 117.945 115.700 0.194 0.000 2.616 210 S HA 0.231 4.747 4.470 0.077 0.000 0.276 210 S C 0.566 175.313 174.600 0.246 0.000 1.159 210 S CA -0.494 57.791 58.200 0.143 0.000 1.000 210 S CB 0.931 64.079 63.200 -0.087 0.000 1.117 210 S HN 0.795 nan 8.310 nan 0.000 0.464 211 K N 2.156 122.696 120.400 0.233 0.000 2.020 211 K HA -0.136 4.230 4.320 0.077 0.000 0.212 211 K C 1.834 178.384 176.600 -0.084 0.000 1.050 211 K CA 2.560 58.854 56.287 0.012 0.000 0.929 211 K CB -0.405 32.153 32.500 0.097 0.000 0.714 211 K HN 0.787 nan 8.250 nan 0.000 0.443 212 T N -2.740 111.819 114.554 0.009 0.000 3.014 212 T HA -0.043 4.353 4.350 0.077 0.000 0.263 212 T C 0.961 175.731 174.700 0.116 0.000 1.078 212 T CA 0.525 62.635 62.100 0.017 0.000 1.135 212 T CB -0.339 68.536 68.868 0.012 0.000 0.895 212 T HN 0.362 nan 8.240 nan 0.000 0.480 213 F N 2.196 122.102 119.950 -0.075 0.000 3.084 213 F HA -0.294 4.279 4.527 0.076 0.000 0.286 213 F C 1.072 176.836 175.800 -0.060 0.000 0.855 213 F CA 1.046 58.998 58.000 -0.079 0.000 1.091 213 F CB -1.590 37.358 39.000 -0.087 0.000 1.177 213 F HN 0.533 nan 8.300 nan 0.000 0.542 214 T N -5.300 109.240 114.554 -0.023 0.000 3.041 214 T HA 0.163 4.559 4.350 0.077 0.000 0.276 214 T C 0.561 175.226 174.700 -0.059 0.000 0.948 214 T CA 0.527 62.611 62.100 -0.027 0.000 0.885 214 T CB 0.136 69.016 68.868 0.019 0.000 1.175 214 T HN 0.089 nan 8.240 nan 0.000 0.529 215 T N 3.270 117.774 114.554 -0.084 0.000 2.871 215 T HA 0.051 4.447 4.350 0.077 0.000 0.296 215 T C 1.265 175.914 174.700 -0.084 0.000 0.998 215 T CA 0.120 62.177 62.100 -0.072 0.000 1.162 215 T CB 1.313 70.137 68.868 -0.074 0.000 0.947 215 T HN 0.422 nan 8.240 nan 0.000 0.536 216 Q N 2.632 122.403 119.800 -0.049 0.000 2.061 216 Q HA -0.224 4.162 4.340 0.077 0.000 0.204 216 Q C 1.777 177.746 176.000 -0.050 0.000 0.984 216 Q CA 1.990 57.769 55.803 -0.041 0.000 0.846 216 Q CB 0.029 28.756 28.738 -0.018 0.000 0.902 216 Q HN 0.748 nan 8.270 nan 0.000 0.421 217 E N -0.429 119.745 120.200 -0.044 0.000 2.058 217 E HA -0.162 4.234 4.350 0.077 0.000 0.194 217 E C 2.020 178.580 176.600 -0.066 0.000 0.997 217 E CA 2.000 58.377 56.400 -0.037 0.000 0.801 217 E CB -0.234 29.454 29.700 -0.020 0.000 0.746 217 E HN 0.346 nan 8.360 nan 0.000 0.450 218 T N 0.882 115.372 114.554 -0.107 0.000 2.812 218 T HA -0.059 4.337 4.350 0.077 0.000 0.264 218 T C 1.719 176.271 174.700 -0.246 0.000 1.042 218 T CA 0.748 62.747 62.100 -0.169 0.000 1.140 218 T CB -0.059 68.685 68.868 -0.206 0.000 0.870 218 T HN 0.028 nan 8.240 nan 0.000 0.445 219 I N 1.849 122.262 120.570 -0.261 0.000 2.252 219 I HA -0.101 4.115 4.170 0.077 0.000 0.245 219 I C 2.588 178.642 176.117 -0.105 0.000 1.102 219 I CA 1.394 62.531 61.300 -0.272 0.000 1.385 219 I CB -1.824 36.051 38.000 -0.209 0.000 1.064 219 I HN 0.259 nan 8.210 nan 0.000 0.414 220 T N 1.388 115.904 114.554 -0.063 0.000 2.708 220 T HA -0.133 4.263 4.350 0.077 0.000 0.266 220 T C 1.796 176.490 174.700 -0.010 0.000 1.037 220 T CA 1.351 63.442 62.100 -0.015 0.000 1.146 220 T CB -0.260 68.601 68.868 -0.011 0.000 0.865 220 T HN 0.251 nan 8.240 nan 0.000 0.435 221 N N 1.434 120.112 118.700 -0.037 0.000 2.104 221 N HA -0.064 4.722 4.740 0.077 0.000 0.190 221 N C 2.122 177.616 175.510 -0.026 0.000 1.024 221 N CA 1.463 54.491 53.050 -0.036 0.000 0.853 221 N CB -0.574 37.883 38.487 -0.050 0.000 1.008 221 N HN 0.438 nan 8.380 nan 0.000 0.424 222 A N 1.292 124.082 122.820 -0.049 0.000 1.902 222 A HA -0.140 4.226 4.320 0.077 0.000 0.217 222 A C 2.095 179.838 177.584 0.265 0.000 1.181 222 A CA 1.363 53.414 52.037 0.022 0.000 0.623 222 A CB -0.433 18.355 19.000 -0.353 0.000 0.818 222 A HN 0.360 nan 8.150 nan 0.000 0.443 223 E N -0.908 119.437 120.200 0.241 0.000 2.072 223 E HA -0.114 4.282 4.350 0.077 0.000 0.191 223 E C 2.066 178.724 176.600 0.097 0.000 0.985 223 E CA 1.469 57.999 56.400 0.216 0.000 0.801 223 E CB -0.322 29.476 29.700 0.163 0.000 0.750 223 E HN 0.582 nan 8.360 nan 0.000 0.452 224 T N 1.143 115.737 114.554 0.067 0.000 2.708 224 T HA -0.181 4.215 4.350 0.077 0.000 0.266 224 T C 2.035 176.777 174.700 0.070 0.000 1.037 224 T CA 1.342 63.472 62.100 0.050 0.000 1.146 224 T CB -0.262 68.615 68.868 0.014 0.000 0.865 224 T HN 0.254 nan 8.240 nan 0.000 0.435 225 A N 1.470 124.296 122.820 0.010 0.000 1.883 225 A HA -0.165 4.201 4.320 0.077 0.000 0.217 225 A C 2.221 179.927 177.584 0.203 0.000 1.186 225 A CA 2.144 54.134 52.037 -0.079 0.000 0.624 225 A CB -0.573 18.131 19.000 -0.492 0.000 0.822 225 A HN 0.491 nan 8.150 nan 0.000 0.444 226 K N -0.378 120.118 120.400 0.161 0.000 2.057 226 K HA -0.194 4.172 4.320 0.077 0.000 0.207 226 K C 2.118 178.772 176.600 0.090 0.000 1.049 226 K CA 1.622 57.900 56.287 -0.015 0.000 0.931 226 K CB -0.168 32.116 32.500 -0.361 0.000 0.714 226 K HN 0.646 nan 8.250 nan 0.000 0.440 227 E N -0.455 119.794 120.200 0.081 0.000 2.051 227 E HA -0.240 4.156 4.350 0.077 0.000 0.192 227 E C 1.792 178.471 176.600 0.133 0.000 0.991 227 E CA 1.466 57.907 56.400 0.068 0.000 0.799 227 E CB -0.273 29.462 29.700 0.057 0.000 0.748 227 E HN 0.513 nan 8.360 nan 0.000 0.449 228 W N 0.468 121.779 121.300 0.017 0.000 2.358 228 W HA -0.249 4.458 4.660 0.078 0.000 0.303 228 W C 1.935 178.489 176.519 0.059 0.000 1.208 228 W CA 1.899 59.263 57.345 0.032 0.000 1.274 228 W CB -0.615 28.873 29.460 0.046 0.000 1.138 228 W HN 0.189 nan 8.180 nan 0.000 0.515 229 F N 0.769 120.786 119.950 0.112 0.000 2.102 229 F HA -0.180 4.394 4.527 0.078 0.000 0.298 229 F C 2.076 177.718 175.800 -0.264 0.000 1.105 229 F CA 2.231 60.161 58.000 -0.117 0.000 1.239 229 F CB -0.793 38.354 39.000 0.245 0.000 0.991 229 F HN -0.167 nan 8.300 nan 0.000 0.474 230 L N -0.107 120.996 121.223 -0.200 0.000 2.201 230 L HA -0.159 4.227 4.340 0.077 0.000 0.212 230 L C 2.273 178.938 176.870 -0.342 0.000 1.105 230 L CA 1.220 55.867 54.840 -0.322 0.000 0.775 230 L CB -0.641 41.342 42.059 -0.126 0.000 0.913 230 L HN 0.146 nan 8.230 nan 0.000 0.440 231 E N 0.095 120.131 120.200 -0.274 0.000 2.160 231 E HA -0.213 4.183 4.350 0.077 0.000 0.195 231 E C 2.115 178.526 176.600 -0.315 0.000 0.991 231 E CA 1.457 57.712 56.400 -0.241 0.000 0.810 231 E CB 0.015 29.609 29.700 -0.177 0.000 0.742 231 E HN 0.480 nan 8.360 nan 0.000 0.466 232 A N 0.011 122.544 122.820 -0.478 0.000 1.887 232 A HA 0.237 4.603 4.320 0.077 0.000 0.212 232 A C 2.239 179.525 177.584 -0.497 0.000 1.198 232 A CA 1.081 52.847 52.037 -0.453 0.000 0.628 232 A CB -0.505 18.178 19.000 -0.527 0.000 0.847 232 A HN 0.292 nan 8.150 nan 0.000 0.449 233 A N -0.700 121.550 122.820 -0.950 0.000 1.970 233 A HA 0.113 4.479 4.320 0.077 0.000 0.216 233 A C 1.207 178.456 177.584 -0.558 0.000 1.170 233 A CA 1.287 52.606 52.037 -1.197 0.000 0.645 233 A CB -0.401 17.357 19.000 -2.069 0.000 0.816 233 A HN 0.496 nan 8.150 nan 0.000 0.447 234 K N -0.533 119.606 120.400 -0.435 0.000 3.069 234 K HA -0.198 4.168 4.320 0.077 0.000 0.267 234 K C -0.815 175.680 176.600 -0.175 0.000 1.082 234 K CA 0.980 57.122 56.287 -0.241 0.000 0.782 234 K CB -1.453 30.945 32.500 -0.170 0.000 1.230 234 K HN 0.579 nan 8.250 nan 0.000 0.488 235 D N -1.369 118.918 120.400 -0.189 0.000 2.452 235 D HA 0.202 4.888 4.640 0.077 0.000 0.226 235 D C -2.227 174.047 176.300 -0.042 0.000 1.366 235 D CA -1.971 51.973 54.000 -0.093 0.000 0.986 235 D CB 1.690 42.453 40.800 -0.061 0.000 1.420 235 D HN -0.290 nan 8.370 nan 0.000 0.583 236 P HA -0.133 nan 4.420 nan 0.000 0.218 236 P C 1.350 178.672 177.300 0.037 0.000 1.148 236 P CA 1.195 64.288 63.100 -0.012 0.000 0.822 236 P CB 0.239 31.916 31.700 -0.038 0.000 0.784 237 S N -0.704 115.024 115.700 0.045 0.000 2.447 237 S HA -0.057 4.459 4.470 0.077 0.000 0.233 237 S C 2.002 176.690 174.600 0.147 0.000 1.006 237 S CA 0.926 59.170 58.200 0.074 0.000 0.957 237 S CB -1.209 62.023 63.200 0.054 0.000 0.773 237 S HN 0.123 nan 8.310 nan 0.000 0.507 238 A N 1.326 124.265 122.820 0.199 0.000 2.067 238 A HA 0.161 4.527 4.320 0.077 0.000 0.219 238 A C 2.249 180.140 177.584 0.512 0.000 1.158 238 A CA 1.132 53.396 52.037 0.377 0.000 0.661 238 A CB -0.891 18.281 19.000 0.286 0.000 0.801 238 A HN 0.446 nan 8.150 nan 0.000 0.452 239 V N -0.075 120.051 119.914 0.354 0.000 2.392 239 V HA -0.299 3.867 4.120 0.077 0.000 0.249 239 V C 2.966 179.239 176.094 0.299 0.000 1.059 239 V CA 1.891 64.319 62.300 0.212 0.000 1.051 239 V CB -1.105 30.710 31.823 -0.014 0.000 0.658 239 V HN 0.607 nan 8.190 nan 0.000 0.455 240 A N -0.543 122.429 122.820 0.254 0.000 2.125 240 A HA -0.185 4.181 4.320 0.077 0.000 0.219 240 A C 2.162 179.969 177.584 0.371 0.000 1.156 240 A CA 1.503 53.700 52.037 0.268 0.000 0.671 240 A CB -0.350 18.754 19.000 0.174 0.000 0.794 240 A HN 0.606 nan 8.150 nan 0.000 0.459 241 K N -1.536 119.084 120.400 0.367 0.000 2.393 241 K HA 0.095 4.461 4.320 0.077 0.000 0.193 241 K C 0.662 177.420 176.600 0.264 0.000 1.026 241 K CA 0.594 57.081 56.287 0.334 0.000 1.064 241 K CB 0.128 32.720 32.500 0.153 0.000 0.833 241 K HN 0.597 nan 8.250 nan 0.000 0.521 242 H N -1.671 117.630 119.070 0.385 0.000 3.535 242 H HA 0.203 4.804 4.556 0.076 0.000 0.260 242 H C -0.688 174.651 175.328 0.018 0.000 1.173 242 H CA -0.004 56.142 56.048 0.163 0.000 1.168 242 H CB 0.783 30.438 29.762 -0.178 0.000 1.568 242 H HN -0.051 nan 8.280 nan 0.000 0.602 243 F N 1.846 121.931 119.950 0.224 0.000 2.539 243 F HA 0.360 4.931 4.527 0.074 0.000 0.318 243 F C 0.065 175.977 175.800 0.187 0.000 1.135 243 F CA -1.156 56.978 58.000 0.225 0.000 0.915 243 F CB 2.114 41.242 39.000 0.214 0.000 1.176 243 F HN -0.232 nan 8.300 nan 0.000 0.440 244 V N 0.423 120.493 119.914 0.261 0.000 3.046 244 V HA 1.020 5.186 4.120 0.077 0.000 0.316 244 V C -0.918 175.301 176.094 0.209 0.000 1.104 244 V CA -1.012 61.394 62.300 0.177 0.000 1.006 244 V CB 1.599 33.432 31.823 0.016 0.000 1.058 244 V HN 0.904 nan 8.190 nan 0.000 0.440 245 A N 3.143 126.077 122.820 0.190 0.000 2.386 245 A HA 0.909 5.275 4.320 0.077 0.000 0.311 245 A C -0.919 176.779 177.584 0.191 0.000 1.068 245 A CA -0.792 51.358 52.037 0.189 0.000 0.743 245 A CB 1.413 20.403 19.000 -0.016 0.000 1.258 245 A HN 1.100 nan 8.150 nan 0.000 0.429 246 L N 1.783 123.139 121.223 0.222 0.000 2.316 246 L HA 0.772 5.158 4.340 0.077 0.000 0.280 246 L C 0.056 177.142 176.870 0.361 0.000 1.006 246 L CA -0.287 54.703 54.840 0.251 0.000 0.836 246 L CB 1.305 43.453 42.059 0.149 0.000 1.221 246 L HN 0.662 nan 8.230 nan 0.000 0.418 247 S N 0.040 115.861 115.700 0.203 0.000 2.636 247 S HA 0.424 4.940 4.470 0.077 0.000 0.268 247 S C 0.351 174.598 174.600 -0.588 0.000 1.159 247 S CA 0.224 58.353 58.200 -0.118 0.000 0.815 247 S CB 1.840 64.972 63.200 -0.113 0.000 1.130 247 S HN 0.729 nan 8.310 nan 0.000 0.471 248 T N -0.567 113.569 114.554 -0.698 0.000 3.023 248 T HA 0.313 4.709 4.350 0.077 0.000 0.253 248 T C 0.195 174.683 174.700 -0.353 0.000 1.038 248 T CA 0.017 61.741 62.100 -0.626 0.000 0.962 248 T CB -0.235 68.235 68.868 -0.663 0.000 1.018 248 T HN 0.307 nan 8.240 nan 0.000 0.521 249 N N 1.711 120.245 118.700 -0.276 0.000 2.817 249 N HA 0.275 5.061 4.740 0.077 0.000 0.234 249 N C 0.779 176.153 175.510 -0.226 0.000 1.066 249 N CA -0.063 52.876 53.050 -0.186 0.000 0.926 249 N CB 1.037 39.474 38.487 -0.083 0.000 1.176 249 N HN 0.162 nan 8.380 nan 0.000 0.506 250 T N 0.652 115.086 114.554 -0.199 0.000 2.720 250 T HA -0.149 4.248 4.350 0.077 0.000 0.268 250 T C 1.821 176.430 174.700 -0.152 0.000 1.037 250 T CA 1.721 63.708 62.100 -0.189 0.000 1.144 250 T CB 0.020 68.805 68.868 -0.138 0.000 0.864 250 T HN 0.564 nan 8.240 nan 0.000 0.444 251 A N 1.756 124.516 122.820 -0.100 0.000 1.877 251 A HA -0.123 4.244 4.320 0.077 0.000 0.216 251 A C 2.326 179.887 177.584 -0.039 0.000 1.186 251 A CA 1.283 53.286 52.037 -0.056 0.000 0.620 251 A CB -0.300 18.682 19.000 -0.030 0.000 0.822 251 A HN 0.198 nan 8.150 nan 0.000 0.443 252 K N -0.288 120.090 120.400 -0.036 0.000 2.155 252 K HA 0.015 4.381 4.320 0.077 0.000 0.203 252 K C 1.989 178.595 176.600 0.010 0.000 1.052 252 K CA 1.058 57.381 56.287 0.060 0.000 0.948 252 K CB -0.694 31.903 32.500 0.161 0.000 0.728 252 K HN 0.356 nan 8.250 nan 0.000 0.448 253 V N 1.744 121.441 119.914 -0.362 0.000 2.295 253 V HA -0.227 3.939 4.120 0.077 0.000 0.246 253 V C 2.341 178.364 176.094 -0.117 0.000 1.049 253 V CA 1.632 63.581 62.300 -0.585 0.000 1.024 253 V CB -0.311 31.079 31.823 -0.722 0.000 0.648 253 V HN 0.304 nan 8.190 nan 0.000 0.447 254 K N -0.287 120.059 120.400 -0.090 0.000 2.057 254 K HA -0.252 4.114 4.320 0.077 0.000 0.207 254 K C 2.237 178.850 176.600 0.022 0.000 1.049 254 K CA 1.801 58.071 56.287 -0.028 0.000 0.931 254 K CB -0.190 32.286 32.500 -0.041 0.000 0.714 254 K HN 0.576 nan 8.250 nan 0.000 0.440 255 E N 0.284 120.514 120.200 0.050 0.000 2.077 255 E HA -0.211 4.185 4.350 0.077 0.000 0.193 255 E C 1.817 178.488 176.600 0.119 0.000 0.989 255 E CA 0.976 57.421 56.400 0.075 0.000 0.800 255 E CB -0.141 29.614 29.700 0.091 0.000 0.746 255 E HN 0.275 nan 8.360 nan 0.000 0.452 256 F N -0.112 119.878 119.950 0.067 0.000 2.269 256 F HA -0.018 4.557 4.527 0.081 0.000 0.301 256 F C 1.296 177.103 175.800 0.012 0.000 1.082 256 F CA 1.660 59.715 58.000 0.091 0.000 1.360 256 F CB 0.323 39.497 39.000 0.290 0.000 1.041 256 F HN 0.202 nan 8.300 nan 0.000 0.512 257 G N 0.933 109.720 108.800 -0.022 0.000 2.148 257 G HA2 -0.181 3.825 3.960 0.077 0.000 0.157 257 G HA3 -0.181 3.825 3.960 0.077 0.000 0.157 257 G C -0.084 174.801 174.900 -0.025 0.000 1.012 257 G CA -0.095 44.931 45.100 -0.123 0.000 0.677 257 G HN 0.303 nan 8.290 nan 0.000 0.506 258 I N 1.276 121.908 120.570 0.104 0.000 2.359 258 I HA 0.283 4.499 4.170 0.077 0.000 0.294 258 I C -0.118 176.021 176.117 0.037 0.000 0.987 258 I CA -0.845 60.526 61.300 0.119 0.000 1.225 258 I CB 1.114 39.240 38.000 0.210 0.000 1.366 258 I HN -0.075 nan 8.210 nan 0.000 0.466 259 D N 9.143 129.567 120.400 0.040 0.000 2.531 259 D HA -0.006 4.680 4.640 0.077 0.000 0.239 259 D C -1.237 175.041 176.300 -0.038 0.000 1.144 259 D CA -1.054 52.950 54.000 0.007 0.000 0.869 259 D CB 0.728 41.548 40.800 0.033 0.000 1.160 259 D HN 0.298 nan 8.370 nan 0.000 0.484 260 P HA -0.218 nan 4.420 nan 0.000 0.218 260 P C 0.976 178.197 177.300 -0.132 0.000 1.146 260 P CA 1.183 64.221 63.100 -0.104 0.000 0.813 260 P CB 0.339 31.988 31.700 -0.084 0.000 0.778 261 Q N -1.015 118.725 119.800 -0.099 0.000 2.291 261 Q HA -0.062 4.324 4.340 0.077 0.000 0.205 261 Q C 0.972 176.854 176.000 -0.196 0.000 0.970 261 Q CA 0.745 56.475 55.803 -0.122 0.000 0.876 261 Q CB -0.346 28.365 28.738 -0.045 0.000 0.935 261 Q HN 0.274 nan 8.270 nan 0.000 0.455 262 N N -0.212 118.404 118.700 -0.140 0.000 2.276 262 N HA 0.107 4.893 4.740 0.077 0.000 0.212 262 N C -0.496 174.896 175.510 -0.198 0.000 1.127 262 N CA 0.175 53.137 53.050 -0.147 0.000 0.834 262 N CB 0.404 38.920 38.487 0.048 0.000 1.014 262 N HN 0.216 nan 8.380 nan 0.000 0.491 263 M N 0.616 120.033 119.600 -0.305 0.000 2.205 263 M HA 0.350 4.876 4.480 0.077 0.000 0.344 263 M C -1.352 174.710 176.300 -0.396 0.000 1.085 263 M CA -0.604 54.555 55.300 -0.235 0.000 1.001 263 M CB 0.602 33.076 32.600 -0.210 0.000 1.626 263 M HN -0.177 nan 8.290 nan 0.000 0.442 264 F N 3.404 123.271 119.950 -0.138 0.000 2.334 264 F HA 0.366 4.938 4.527 0.075 0.000 0.367 264 F C 0.380 176.121 175.800 -0.098 0.000 1.115 264 F CA -0.542 57.393 58.000 -0.108 0.000 1.116 264 F CB 0.755 39.692 39.000 -0.104 0.000 1.230 264 F HN 0.557 nan 8.300 nan 0.000 0.484 265 E N 4.177 124.329 120.200 -0.079 0.000 2.331 265 E HA 0.432 4.828 4.350 0.077 0.000 0.272 265 E C -0.764 175.501 176.600 -0.559 0.000 1.036 265 E CA -0.303 55.901 56.400 -0.327 0.000 0.864 265 E CB 0.908 30.371 29.700 -0.396 0.000 1.035 265 E HN 0.514 nan 8.360 nan 0.000 0.408 266 F N 1.273 120.644 119.950 -0.965 0.000 2.876 266 F HA 0.743 5.313 4.527 0.071 0.000 0.358 266 F C -0.843 174.089 175.800 -1.447 0.000 1.209 266 F CA -1.084 56.048 58.000 -1.447 0.000 1.051 266 F CB 1.073 39.745 39.000 -0.548 0.000 1.474 266 F HN 0.283 nan 8.300 nan 0.000 0.521 267 W N 0.817 121.853 121.300 -0.441 0.000 2.975 267 W HA 0.188 4.894 4.660 0.076 0.000 0.342 267 W C -0.002 176.106 176.519 -0.685 0.000 1.168 267 W CA -0.356 56.525 57.345 -0.772 0.000 1.141 267 W CB 1.323 29.951 29.460 -1.386 0.000 1.445 267 W HN 0.708 nan 8.180 nan 0.000 0.560 268 D N -0.553 119.661 120.400 -0.311 0.000 2.263 268 D HA -0.207 4.479 4.640 0.077 0.000 0.208 268 D C 1.464 177.778 176.300 0.025 0.000 0.971 268 D CA 1.258 55.187 54.000 -0.117 0.000 0.867 268 D CB -0.554 40.236 40.800 -0.017 0.000 0.929 268 D HN 0.528 nan 8.370 nan 0.000 0.492 269 W N 0.621 122.040 121.300 0.199 0.000 3.292 269 W HA 0.342 5.049 4.660 0.079 0.000 0.263 269 W C -0.587 176.049 176.519 0.195 0.000 1.318 269 W CA -0.637 56.790 57.345 0.137 0.000 1.663 269 W CB -0.468 29.027 29.460 0.058 0.000 1.114 269 W HN -0.251 nan 8.180 nan 0.000 0.706 270 V N 2.581 122.690 119.914 0.326 0.000 2.304 270 V HA 0.434 4.600 4.120 0.077 0.000 0.269 270 V C 1.014 177.341 176.094 0.389 0.000 1.036 270 V CA -0.662 61.899 62.300 0.436 0.000 0.840 270 V CB 0.279 32.384 31.823 0.470 0.000 1.036 270 V HN 0.135 nan 8.190 nan 0.000 0.466 271 G N 3.229 112.279 108.800 0.418 0.000 2.491 271 G HA2 0.377 4.383 3.960 0.077 0.000 0.242 271 G HA3 0.377 4.383 3.960 0.077 0.000 0.242 271 G C 1.121 176.208 174.900 0.312 0.000 1.266 271 G CA 0.205 45.540 45.100 0.392 0.000 0.844 271 G HN 0.862 nan 8.290 nan 0.000 0.571 272 G N 1.598 110.511 108.800 0.189 0.000 2.440 272 G HA2 -0.252 3.754 3.960 0.077 0.000 0.218 272 G HA3 -0.252 3.754 3.960 0.077 0.000 0.218 272 G C 1.667 176.556 174.900 -0.019 0.000 1.154 272 G CA 0.877 46.031 45.100 0.090 0.000 0.767 272 G HN 0.782 nan 8.290 nan 0.000 0.552 273 R N -0.892 119.540 120.500 -0.114 0.000 2.323 273 R HA 0.139 4.525 4.340 0.077 0.000 0.198 273 R C 0.369 176.344 176.300 -0.543 0.000 0.988 273 R CA 0.514 56.376 56.100 -0.397 0.000 1.041 273 R CB -0.314 29.664 30.300 -0.537 0.000 0.926 273 R HN 0.465 nan 8.270 nan 0.000 0.476 274 Y N 0.464 120.778 120.300 0.024 0.000 2.715 274 Y HA 0.192 4.786 4.550 0.072 0.000 0.255 274 Y C 1.256 177.296 175.900 0.234 0.000 1.139 274 Y CA -0.363 57.794 58.100 0.096 0.000 1.151 274 Y CB 1.299 39.697 38.460 -0.104 0.000 1.201 274 Y HN 0.207 nan 8.280 nan 0.000 0.556 275 S N -0.795 114.998 115.700 0.156 0.000 2.524 275 S HA -0.026 4.490 4.470 0.077 0.000 0.215 275 S C 1.628 176.166 174.600 -0.104 0.000 0.986 275 S CA 0.046 58.272 58.200 0.044 0.000 0.911 275 S CB -0.517 62.609 63.200 -0.124 0.000 0.805 275 S HN 0.449 nan 8.310 nan 0.000 0.501 276 L N -1.277 119.789 121.223 -0.262 0.000 2.261 276 L HA 0.256 4.642 4.340 0.077 0.000 0.216 276 L C 1.827 178.563 176.870 -0.224 0.000 1.114 276 L CA 0.983 55.603 54.840 -0.366 0.000 0.777 276 L CB -1.544 40.175 42.059 -0.567 0.000 0.910 276 L HN 0.367 nan 8.230 nan 0.000 0.440 277 W N 0.820 122.202 121.300 0.136 0.000 2.678 277 W HA 0.185 4.890 4.660 0.074 0.000 0.256 277 W C 1.904 178.593 176.519 0.284 0.000 1.280 277 W CA 0.395 57.838 57.345 0.163 0.000 1.345 277 W CB -0.776 28.752 29.460 0.112 0.000 1.118 277 W HN 0.361 nan 8.180 nan 0.000 0.629 278 S N 0.469 116.376 115.700 0.345 0.000 2.566 278 S HA 0.619 5.135 4.470 0.077 0.000 0.277 278 S C 1.685 176.356 174.600 0.118 0.000 1.150 278 S CA -0.102 58.244 58.200 0.243 0.000 1.032 278 S CB 0.526 63.732 63.200 0.011 0.000 1.157 278 S HN 0.055 nan 8.310 nan 0.000 0.507 279 A N 0.353 123.184 122.820 0.019 0.000 1.997 279 A HA -0.068 4.298 4.320 0.077 0.000 0.221 279 A C 2.096 179.564 177.584 -0.195 0.000 1.172 279 A CA 1.554 53.570 52.037 -0.034 0.000 0.645 279 A CB -1.214 17.843 19.000 0.095 0.000 0.813 279 A HN 0.737 nan 8.150 nan 0.000 0.454 280 I N -0.036 120.320 120.570 -0.357 0.000 2.399 280 I HA -0.221 3.995 4.170 0.077 0.000 0.254 280 I C 2.353 178.344 176.117 -0.209 0.000 1.146 280 I CA 1.511 62.626 61.300 -0.309 0.000 1.412 280 I CB -1.692 36.056 38.000 -0.422 0.000 1.076 280 I HN 0.390 nan 8.210 nan 0.000 0.432 281 G N 0.320 109.006 108.800 -0.190 0.000 2.956 281 G HA2 -0.090 3.916 3.960 0.077 0.000 0.207 281 G HA3 -0.090 3.916 3.960 0.077 0.000 0.207 281 G C 1.606 176.224 174.900 -0.471 0.000 1.162 281 G CA -0.126 44.831 45.100 -0.239 0.000 0.796 281 G HN 0.279 nan 8.290 nan 0.000 0.527 282 L N 2.060 123.047 121.223 -0.393 0.000 2.043 282 L HA -0.159 4.227 4.340 0.077 0.000 0.212 282 L C 3.071 179.764 176.870 -0.294 0.000 1.075 282 L CA 2.618 57.210 54.840 -0.414 0.000 0.752 282 L CB -0.612 41.149 42.059 -0.496 0.000 0.891 282 L HN 0.316 nan 8.230 nan 0.000 0.432 283 S N -1.035 114.541 115.700 -0.206 0.000 2.399 283 S HA -0.184 4.332 4.470 0.077 0.000 0.231 283 S C 2.027 176.593 174.600 -0.058 0.000 1.022 283 S CA 1.429 59.546 58.200 -0.137 0.000 0.983 283 S CB -1.013 62.109 63.200 -0.130 0.000 0.803 283 S HN 0.528 nan 8.310 nan 0.000 0.480 284 I N 2.541 123.069 120.570 -0.070 0.000 2.113 284 I HA -0.160 4.056 4.170 0.077 0.000 0.238 284 I C 3.136 179.242 176.117 -0.018 0.000 1.070 284 I CA 1.330 62.630 61.300 -0.000 0.000 1.332 284 I CB -0.814 37.200 38.000 0.024 0.000 1.044 284 I HN 0.415 nan 8.210 nan 0.000 0.402 285 A N 0.778 123.459 122.820 -0.231 0.000 1.933 285 A HA -0.152 4.215 4.320 0.077 0.000 0.218 285 A C 2.314 179.891 177.584 -0.012 0.000 1.175 285 A CA 1.481 53.437 52.037 -0.135 0.000 0.628 285 A CB -0.866 17.955 19.000 -0.298 0.000 0.814 285 A HN 0.396 nan 8.150 nan 0.000 0.444 286 L N -1.906 119.282 121.223 -0.058 0.000 2.056 286 L HA -0.168 4.218 4.340 0.077 0.000 0.207 286 L C 2.650 179.539 176.870 0.031 0.000 1.078 286 L CA 1.631 56.441 54.840 -0.050 0.000 0.749 286 L CB -0.516 41.475 42.059 -0.113 0.000 0.901 286 L HN 0.555 nan 8.230 nan 0.000 0.433 287 H N -0.275 118.765 119.070 -0.050 0.000 2.333 287 H HA -0.100 4.502 4.556 0.078 0.000 0.302 287 H C 1.841 177.187 175.328 0.030 0.000 1.075 287 H CA 1.972 58.009 56.048 -0.019 0.000 1.348 287 H CB 0.163 29.919 29.762 -0.009 0.000 1.393 287 H HN 0.179 nan 8.280 nan 0.000 0.509 288 V N -3.252 116.694 119.914 0.053 0.000 3.660 288 V HA 0.486 4.652 4.120 0.077 0.000 0.276 288 V C 0.873 177.089 176.094 0.204 0.000 1.317 288 V CA 0.508 62.855 62.300 0.079 0.000 1.097 288 V CB -0.198 31.688 31.823 0.104 0.000 0.863 288 V HN 0.684 nan 8.190 nan 0.000 0.438 289 G N -0.140 108.738 108.800 0.130 0.000 2.712 289 G HA2 -0.195 3.811 3.960 0.077 0.000 0.686 289 G HA3 -0.195 3.811 3.960 0.077 0.000 0.686 289 G C -0.442 174.554 174.900 0.160 0.000 1.181 289 G CA -0.066 45.107 45.100 0.121 0.000 0.762 289 G HN 0.372 nan 8.290 nan 0.000 0.641 290 F N 0.923 120.902 119.950 0.049 0.000 2.216 290 F HA -0.004 4.569 4.527 0.076 0.000 0.300 290 F C 2.273 178.149 175.800 0.127 0.000 1.085 290 F CA 2.361 60.431 58.000 0.117 0.000 1.326 290 F CB 0.137 39.193 39.000 0.092 0.000 1.027 290 F HN 0.521 nan 8.300 nan 0.000 0.497 291 D N -0.717 119.731 120.400 0.080 0.000 2.123 291 D HA -0.211 4.475 4.640 0.077 0.000 0.196 291 D C 2.025 178.245 176.300 -0.134 0.000 0.992 291 D CA 1.885 55.849 54.000 -0.060 0.000 0.833 291 D CB -0.656 40.054 40.800 -0.150 0.000 0.954 291 D HN 0.482 nan 8.370 nan 0.000 0.455 292 H N -1.305 117.746 119.070 -0.031 0.000 2.423 292 H HA -0.037 4.565 4.556 0.076 0.000 0.297 292 H C 1.743 177.015 175.328 -0.093 0.000 1.075 292 H CA 0.574 56.565 56.048 -0.095 0.000 1.342 292 H CB -0.024 29.672 29.762 -0.111 0.000 1.395 292 H HN 0.056 nan 8.280 nan 0.000 0.530 293 F N 1.883 121.751 119.950 -0.137 0.000 2.134 293 F HA -0.151 4.421 4.527 0.075 0.000 0.299 293 F C 2.101 177.735 175.800 -0.276 0.000 1.097 293 F CA 1.407 59.265 58.000 -0.237 0.000 1.264 293 F CB -0.079 38.711 39.000 -0.351 0.000 1.001 293 F HN 0.083 nan 8.300 nan 0.000 0.479 294 E N -0.404 119.546 120.200 -0.418 0.000 2.110 294 E HA -0.259 4.137 4.350 0.077 0.000 0.193 294 E C 2.153 178.643 176.600 -0.183 0.000 0.988 294 E CA 1.374 57.566 56.400 -0.347 0.000 0.804 294 E CB -0.149 29.427 29.700 -0.208 0.000 0.745 294 E HN 0.600 nan 8.360 nan 0.000 0.458 295 Q N 0.256 119.992 119.800 -0.107 0.000 2.079 295 Q HA -0.151 4.235 4.340 0.077 0.000 0.200 295 Q C 2.288 178.271 176.000 -0.027 0.000 0.974 295 Q CA 0.793 56.597 55.803 0.003 0.000 0.840 295 Q CB -0.079 28.677 28.738 0.031 0.000 0.898 295 Q HN 0.187 nan 8.270 nan 0.000 0.430 296 L N 0.656 121.810 121.223 -0.115 0.000 2.013 296 L HA -0.220 4.166 4.340 0.077 0.000 0.212 296 L C 1.932 178.772 176.870 -0.050 0.000 1.073 296 L CA 1.671 56.447 54.840 -0.105 0.000 0.753 296 L CB -0.354 41.613 42.059 -0.153 0.000 0.890 296 L HN 0.221 nan 8.230 nan 0.000 0.432 297 L N -1.298 119.818 121.223 -0.178 0.000 2.042 297 L HA -0.217 4.169 4.340 0.077 0.000 0.210 297 L C 2.493 179.308 176.870 -0.091 0.000 1.076 297 L CA 1.455 56.224 54.840 -0.117 0.000 0.749 297 L CB -0.706 41.214 42.059 -0.231 0.000 0.893 297 L HN 0.263 nan 8.230 nan 0.000 0.432 298 S N -0.065 115.598 115.700 -0.062 0.000 2.383 298 S HA -0.089 4.427 4.470 0.077 0.000 0.227 298 S C 2.027 176.542 174.600 -0.141 0.000 1.026 298 S CA 1.079 59.315 58.200 0.060 0.000 0.981 298 S CB -0.437 62.892 63.200 0.215 0.000 0.818 298 S HN 0.605 nan 8.310 nan 0.000 0.472 299 G N 1.530 109.934 108.800 -0.660 0.000 2.421 299 G HA2 -0.093 3.913 3.960 0.077 0.000 0.216 299 G HA3 -0.093 3.913 3.960 0.077 0.000 0.216 299 G C 1.582 176.221 174.900 -0.435 0.000 1.171 299 G CA 0.915 45.235 45.100 -1.299 0.000 0.775 299 G HN 0.565 nan 8.290 nan 0.000 0.543 300 A N 0.413 123.084 122.820 -0.249 0.000 1.908 300 A HA -0.151 4.215 4.320 0.077 0.000 0.218 300 A C 2.133 179.662 177.584 -0.093 0.000 1.181 300 A CA 2.198 54.085 52.037 -0.249 0.000 0.627 300 A CB -0.841 17.726 19.000 -0.722 0.000 0.818 300 A HN 0.522 nan 8.150 nan 0.000 0.445 301 H N -2.288 116.704 119.070 -0.131 0.000 2.387 301 H HA -0.202 4.400 4.556 0.076 0.000 0.299 301 H C 1.736 177.112 175.328 0.080 0.000 1.090 301 H CA 2.065 58.100 56.048 -0.021 0.000 1.332 301 H CB -0.446 29.316 29.762 0.001 0.000 1.386 301 H HN 0.693 nan 8.280 nan 0.000 0.516 302 W N 0.127 121.378 121.300 -0.082 0.000 2.335 302 W HA -0.265 4.440 4.660 0.076 0.000 0.311 302 W C 2.359 178.872 176.519 -0.010 0.000 1.213 302 W CA 1.952 59.279 57.345 -0.030 0.000 1.274 302 W CB -0.323 29.204 29.460 0.111 0.000 1.148 302 W HN 0.288 nan 8.180 nan 0.000 0.498 303 M N 0.962 120.759 119.600 0.328 0.000 2.175 303 M HA -0.167 4.360 4.480 0.077 0.000 0.264 303 M C 1.393 177.821 176.300 0.213 0.000 1.063 303 M CA 2.020 57.498 55.300 0.298 0.000 1.119 303 M CB -0.863 31.909 32.600 0.286 0.000 1.377 303 M HN -0.123 nan 8.290 nan 0.000 0.415 304 D N -0.299 120.205 120.400 0.173 0.000 2.104 304 D HA -0.184 4.502 4.640 0.077 0.000 0.194 304 D C 2.010 178.338 176.300 0.048 0.000 0.994 304 D CA 1.216 55.390 54.000 0.290 0.000 0.830 304 D CB -0.314 40.628 40.800 0.235 0.000 0.959 304 D HN 0.409 nan 8.370 nan 0.000 0.452 305 Q N -0.238 119.426 119.800 -0.227 0.000 2.119 305 Q HA -0.154 4.232 4.340 0.077 0.000 0.201 305 Q C 2.086 177.845 176.000 -0.401 0.000 0.972 305 Q CA 1.037 56.613 55.803 -0.379 0.000 0.847 305 Q CB -0.607 27.831 28.738 -0.500 0.000 0.903 305 Q HN 0.562 nan 8.270 nan 0.000 0.433 306 H N 0.035 118.781 119.070 -0.540 0.000 2.319 306 H HA -0.159 4.443 4.556 0.076 0.000 0.299 306 H C 1.687 176.906 175.328 -0.181 0.000 1.092 306 H CA 1.775 57.546 56.048 -0.461 0.000 1.302 306 H CB -0.339 29.099 29.762 -0.540 0.000 1.373 306 H HN 0.181 nan 8.280 nan 0.000 0.497 307 F N 0.232 120.006 119.950 -0.293 0.000 2.171 307 F HA -0.095 4.478 4.527 0.076 0.000 0.300 307 F C 2.094 177.620 175.800 -0.457 0.000 1.090 307 F CA 1.125 58.932 58.000 -0.323 0.000 1.293 307 F CB -0.768 38.077 39.000 -0.258 0.000 1.013 307 F HN 0.331 nan 8.300 nan 0.000 0.486 308 L N 0.430 121.245 121.223 -0.680 0.000 2.109 308 L HA -0.072 4.314 4.340 0.077 0.000 0.207 308 L C 1.879 178.372 176.870 -0.628 0.000 1.086 308 L CA 1.873 56.158 54.840 -0.925 0.000 0.760 308 L CB -0.618 40.839 42.059 -1.004 0.000 0.910 308 L HN 0.052 nan 8.230 nan 0.000 0.437 309 K N -1.895 118.212 120.400 -0.488 0.000 2.360 309 K HA 0.209 4.575 4.320 0.077 0.000 0.196 309 K C 0.057 176.462 176.600 -0.324 0.000 1.049 309 K CA 0.047 56.111 56.287 -0.372 0.000 1.049 309 K CB 0.540 32.851 32.500 -0.315 0.000 0.881 309 K HN 0.167 nan 8.250 nan 0.000 0.542 310 T N 3.495 117.820 114.554 -0.382 0.000 2.845 310 T HA 0.254 4.650 4.350 0.077 0.000 0.288 310 T C -2.602 171.947 174.700 -0.252 0.000 0.980 310 T CA -1.664 60.238 62.100 -0.329 0.000 1.071 310 T CB 1.451 70.008 68.868 -0.519 0.000 0.941 310 T HN -0.133 nan 8.240 nan 0.000 0.487 311 P HA 0.126 nan 4.420 nan 0.000 0.266 311 P C 1.024 178.250 177.300 -0.123 0.000 1.195 311 P CA -0.167 62.849 63.100 -0.140 0.000 0.768 311 P CB 0.473 32.109 31.700 -0.106 0.000 0.838 312 L N 2.094 123.252 121.223 -0.109 0.000 2.127 312 L HA -0.204 4.182 4.340 0.077 0.000 0.211 312 L C 2.210 179.036 176.870 -0.074 0.000 1.089 312 L CA 1.610 56.400 54.840 -0.083 0.000 0.757 312 L CB -0.805 41.210 42.059 -0.074 0.000 0.899 312 L HN 0.550 nan 8.230 nan 0.000 0.434 313 E N 0.542 120.696 120.200 -0.078 0.000 2.409 313 E HA -0.181 4.216 4.350 0.077 0.000 0.198 313 E C 0.922 177.493 176.600 -0.048 0.000 1.024 313 E CA 0.924 57.279 56.400 -0.074 0.000 0.861 313 E CB -0.017 29.635 29.700 -0.079 0.000 0.788 313 E HN 0.459 nan 8.360 nan 0.000 0.521 314 K N 0.729 121.108 120.400 -0.035 0.000 2.506 314 K HA 0.158 4.525 4.320 0.077 0.000 0.204 314 K C 0.038 176.675 176.600 0.060 0.000 1.045 314 K CA -0.303 55.995 56.287 0.020 0.000 1.074 314 K CB 0.417 32.926 32.500 0.015 0.000 0.842 314 K HN -0.048 nan 8.250 nan 0.000 0.514 315 N N 1.463 120.169 118.700 0.010 0.000 2.485 315 N HA 0.187 4.973 4.740 0.077 0.000 0.243 315 N C 0.632 176.235 175.510 0.156 0.000 0.987 315 N CA 0.108 53.165 53.050 0.012 0.000 0.940 315 N CB 1.588 40.038 38.487 -0.061 0.000 1.122 315 N HN 0.063 nan 8.380 nan 0.000 0.509 316 A N 6.826 129.896 122.820 0.417 0.000 1.859 316 A HA -0.069 4.297 4.320 0.077 0.000 0.217 316 A C -0.569 177.052 177.584 0.062 0.000 1.198 316 A CA 1.356 53.516 52.037 0.205 0.000 0.629 316 A CB -1.285 17.822 19.000 0.178 0.000 0.830 316 A HN 0.626 nan 8.150 nan 0.000 0.446 317 P HA -0.094 nan 4.420 nan 0.000 0.216 317 P C 1.640 178.907 177.300 -0.055 0.000 1.150 317 P CA 1.496 64.555 63.100 -0.068 0.000 0.837 317 P CB -0.296 31.299 31.700 -0.176 0.000 0.786 318 V N 0.393 120.320 119.914 0.022 0.000 2.295 318 V HA -0.221 3.945 4.120 0.077 0.000 0.246 318 V C 2.807 178.866 176.094 -0.058 0.000 1.049 318 V CA 1.611 63.925 62.300 0.024 0.000 1.024 318 V CB -1.278 30.589 31.823 0.074 0.000 0.648 318 V HN 0.012 nan 8.190 nan 0.000 0.447 319 L N -0.763 120.399 121.223 -0.101 0.000 2.046 319 L HA -0.182 4.204 4.340 0.077 0.000 0.208 319 L C 2.450 179.213 176.870 -0.178 0.000 1.077 319 L CA 1.493 56.203 54.840 -0.218 0.000 0.747 319 L CB -0.598 41.218 42.059 -0.405 0.000 0.896 319 L HN 0.300 nan 8.230 nan 0.000 0.432 320 L N -0.269 120.883 121.223 -0.118 0.000 2.042 320 L HA -0.226 4.160 4.340 0.077 0.000 0.210 320 L C 2.916 179.770 176.870 -0.027 0.000 1.076 320 L CA 1.263 56.075 54.840 -0.048 0.000 0.749 320 L CB -0.794 41.217 42.059 -0.081 0.000 0.893 320 L HN 0.259 nan 8.230 nan 0.000 0.432 321 A N 0.170 122.951 122.820 -0.065 0.000 1.877 321 A HA -0.168 4.198 4.320 0.077 0.000 0.216 321 A C 2.254 179.792 177.584 -0.076 0.000 1.186 321 A CA 1.486 53.473 52.037 -0.083 0.000 0.620 321 A CB -0.708 18.229 19.000 -0.106 0.000 0.822 321 A HN 0.360 nan 8.150 nan 0.000 0.443 322 L N -0.783 120.396 121.223 -0.074 0.000 2.093 322 L HA -0.164 4.222 4.340 0.077 0.000 0.208 322 L C 2.548 179.420 176.870 0.003 0.000 1.085 322 L CA 0.943 55.748 54.840 -0.058 0.000 0.755 322 L CB -0.542 41.460 42.059 -0.095 0.000 0.904 322 L HN 0.363 nan 8.230 nan 0.000 0.435 323 L N -0.469 120.760 121.223 0.009 0.000 2.046 323 L HA -0.141 4.245 4.340 0.077 0.000 0.208 323 L C 2.702 179.689 176.870 0.195 0.000 1.077 323 L CA 1.415 56.303 54.840 0.080 0.000 0.747 323 L CB -1.170 40.990 42.059 0.168 0.000 0.896 323 L HN 0.304 nan 8.230 nan 0.000 0.432 324 G N 0.401 109.338 108.800 0.228 0.000 2.446 324 G HA2 -0.243 3.763 3.960 0.077 0.000 0.217 324 G HA3 -0.243 3.763 3.960 0.077 0.000 0.217 324 G C 1.523 176.601 174.900 0.297 0.000 1.168 324 G CA 0.651 45.927 45.100 0.293 0.000 0.771 324 G HN 0.162 nan 8.290 nan 0.000 0.551 325 I N -0.103 120.578 120.570 0.184 0.000 2.163 325 I HA -0.174 4.042 4.170 0.077 0.000 0.243 325 I C 2.438 178.753 176.117 0.331 0.000 1.085 325 I CA 0.966 62.402 61.300 0.226 0.000 1.347 325 I CB -1.206 36.832 38.000 0.063 0.000 1.044 325 I HN 0.487 nan 8.210 nan 0.000 0.408 326 W N 1.368 122.692 121.300 0.040 0.000 2.317 326 W HA -0.330 4.376 4.660 0.076 0.000 0.318 326 W C 2.575 179.163 176.519 0.114 0.000 1.227 326 W CA 1.634 58.973 57.345 -0.011 0.000 1.269 326 W CB -0.470 28.863 29.460 -0.211 0.000 1.155 326 W HN 0.106 nan 8.180 nan 0.000 0.484 327 Y N 0.189 120.689 120.300 0.334 0.000 2.263 327 Y HA -0.117 4.479 4.550 0.076 0.000 0.292 327 Y C 2.456 178.478 175.900 0.204 0.000 1.130 327 Y CA 1.404 59.631 58.100 0.212 0.000 1.179 327 Y CB -1.098 37.480 38.460 0.197 0.000 0.998 327 Y HN -0.090 nan 8.280 nan 0.000 0.532 328 I N -0.167 120.634 120.570 0.385 0.000 2.235 328 I HA -0.257 3.959 4.170 0.077 0.000 0.241 328 I C 1.338 177.606 176.117 0.252 0.000 1.085 328 I CA 1.622 63.117 61.300 0.324 0.000 1.378 328 I CB -0.286 37.965 38.000 0.419 0.000 1.076 328 I HN 0.150 nan 8.210 nan 0.000 0.415 329 N N -0.990 117.884 118.700 0.290 0.000 2.392 329 N HA -0.001 4.786 4.740 0.077 0.000 0.177 329 N C 1.431 177.035 175.510 0.158 0.000 1.066 329 N CA 0.460 53.687 53.050 0.295 0.000 0.895 329 N CB 0.254 39.005 38.487 0.439 0.000 0.988 329 N HN 0.314 nan 8.380 nan 0.000 0.457 330 C N -1.269 117.979 119.300 -0.087 0.000 2.406 330 C HA 0.203 4.709 4.460 0.077 0.000 0.343 330 C C 1.873 176.333 174.990 -0.884 0.000 1.397 330 C CA -0.190 58.444 59.018 -0.639 0.000 2.069 330 C CB -0.871 26.256 27.740 -1.023 0.000 2.374 330 C HN 0.411 nan 8.230 nan 0.000 0.545 331 Y N 1.303 121.308 120.300 -0.492 0.000 2.475 331 Y HA 0.234 4.830 4.550 0.076 0.000 0.289 331 Y C 2.133 178.020 175.900 -0.022 0.000 1.121 331 Y CA 1.286 59.288 58.100 -0.163 0.000 1.257 331 Y CB -0.278 38.196 38.460 0.022 0.000 1.026 331 Y HN 0.451 nan 8.280 nan 0.000 0.555 332 G N -0.207 108.676 108.800 0.138 0.000 2.160 332 G HA2 -0.293 3.713 3.960 0.077 0.000 0.244 332 G HA3 -0.293 3.713 3.960 0.077 0.000 0.244 332 G C -0.243 174.743 174.900 0.142 0.000 1.022 332 G CA -0.066 45.108 45.100 0.122 0.000 0.741 332 G HN 0.295 nan 8.290 nan 0.000 0.508 333 C N 0.681 120.094 119.300 0.188 0.000 2.627 333 C HA 0.320 4.826 4.460 0.077 0.000 0.404 333 C C 1.858 176.940 174.990 0.153 0.000 1.340 333 C CA -0.162 58.951 59.018 0.159 0.000 1.758 333 C CB 0.326 28.164 27.740 0.163 0.000 2.501 333 C HN 0.632 nan 8.230 nan 0.000 0.588 334 E N 0.816 121.085 120.200 0.114 0.000 2.152 334 E HA -0.094 4.302 4.350 0.077 0.000 0.192 334 E C 1.187 177.873 176.600 0.144 0.000 0.983 334 E CA 1.103 57.562 56.400 0.099 0.000 0.818 334 E CB 0.228 29.959 29.700 0.052 0.000 0.758 334 E HN 0.894 nan 8.360 nan 0.000 0.467 335 T N -2.220 112.449 114.554 0.191 0.000 2.930 335 T HA 0.435 4.831 4.350 0.077 0.000 0.290 335 T C -1.019 173.878 174.700 0.329 0.000 1.052 335 T CA -0.893 61.384 62.100 0.295 0.000 1.017 335 T CB 2.135 71.243 68.868 0.401 0.000 1.137 335 T HN 0.058 nan 8.240 nan 0.000 0.511 336 H N -0.098 119.101 119.070 0.215 0.000 2.934 336 H HA 0.643 5.245 4.556 0.077 0.000 0.340 336 H C -0.838 174.399 175.328 -0.153 0.000 1.008 336 H CA -0.259 55.833 56.048 0.073 0.000 1.317 336 H CB 1.202 31.032 29.762 0.114 0.000 1.670 336 H HN 1.066 nan 8.280 nan 0.000 0.516 337 A N 5.787 128.200 122.820 -0.678 0.000 2.290 337 A HA 0.547 4.913 4.320 0.077 0.000 0.310 337 A C -0.953 176.268 177.584 -0.604 0.000 1.202 337 A CA -0.699 50.761 52.037 -0.962 0.000 0.837 337 A CB 0.383 18.660 19.000 -1.205 0.000 1.139 337 A HN 0.694 nan 8.150 nan 0.000 0.509 338 L N 3.332 124.318 121.223 -0.394 0.000 2.298 338 L HA 0.432 4.818 4.340 0.077 0.000 0.284 338 L C -0.868 175.944 176.870 -0.097 0.000 1.013 338 L CA -0.122 54.645 54.840 -0.121 0.000 0.824 338 L CB 1.128 43.216 42.059 0.048 0.000 1.221 338 L HN 0.605 nan 8.230 nan 0.000 0.418 339 L N 5.759 126.925 121.223 -0.095 0.000 2.495 339 L HA 0.381 4.767 4.340 0.077 0.000 0.248 339 L C -2.357 174.599 176.870 0.145 0.000 1.229 339 L CA -1.583 53.207 54.840 -0.083 0.000 0.942 339 L CB 1.102 42.905 42.059 -0.425 0.000 1.242 339 L HN 0.334 nan 8.230 nan 0.000 0.484 340 P HA 0.063 nan 4.420 nan 0.000 0.282 340 P C -0.841 176.630 177.300 0.285 0.000 1.262 340 P CA -0.186 63.077 63.100 0.272 0.000 0.773 340 P CB 0.661 32.453 31.700 0.153 0.000 0.879 341 Y N 2.477 122.899 120.300 0.204 0.000 2.830 341 Y HA 0.246 4.842 4.550 0.077 0.000 0.371 341 Y C 0.629 176.603 175.900 0.123 0.000 1.246 341 Y CA 0.384 58.594 58.100 0.183 0.000 1.890 341 Y CB -0.250 38.376 38.460 0.276 0.000 1.995 341 Y HN 0.338 nan 8.280 nan 0.000 0.430 342 D N 0.670 121.163 120.400 0.156 0.000 2.688 342 D HA 0.005 4.691 4.640 0.077 0.000 0.210 342 D C 0.361 176.726 176.300 0.109 0.000 1.333 342 D CA -0.144 53.946 54.000 0.150 0.000 0.920 342 D CB 1.444 42.371 40.800 0.211 0.000 1.554 342 D HN 0.211 nan 8.370 nan 0.000 0.579 343 Q N 2.627 122.437 119.800 0.016 0.000 2.124 343 Q HA -0.126 4.260 4.340 0.077 0.000 0.202 343 Q C 1.201 177.241 176.000 0.068 0.000 0.977 343 Q CA 1.728 57.505 55.803 -0.043 0.000 0.850 343 Q CB -0.184 28.431 28.738 -0.205 0.000 0.901 343 Q HN 0.690 nan 8.270 nan 0.000 0.429 344 Y N -0.887 119.496 120.300 0.139 0.000 2.256 344 Y HA -0.151 4.445 4.550 0.076 0.000 0.288 344 Y C 1.510 177.545 175.900 0.226 0.000 1.155 344 Y CA 0.637 58.846 58.100 0.182 0.000 1.203 344 Y CB 0.001 38.543 38.460 0.137 0.000 0.980 344 Y HN 0.125 nan 8.280 nan 0.000 0.530 345 M N 0.487 120.286 119.600 0.331 0.000 2.654 345 M HA -0.020 4.506 4.480 0.077 0.000 0.217 345 M C 1.220 177.667 176.300 0.246 0.000 1.183 345 M CA 0.357 55.803 55.300 0.244 0.000 0.991 345 M CB -0.516 32.172 32.600 0.146 0.000 1.749 345 M HN 0.464 nan 8.290 nan 0.000 0.475 346 H N -1.248 117.907 119.070 0.141 0.000 2.518 346 H HA 0.021 4.624 4.556 0.078 0.000 0.289 346 H C 1.477 176.872 175.328 0.112 0.000 1.051 346 H CA 0.843 56.955 56.048 0.107 0.000 1.280 346 H CB 0.109 29.910 29.762 0.064 0.000 1.380 346 H HN 0.132 nan 8.280 nan 0.000 0.566 347 R N -0.442 119.881 120.500 -0.295 0.000 2.472 347 R HA 0.097 4.483 4.340 0.077 0.000 0.279 347 R C 0.835 177.124 176.300 -0.019 0.000 0.953 347 R CA -0.221 55.746 56.100 -0.221 0.000 1.088 347 R CB -0.783 29.284 30.300 -0.388 0.000 1.197 347 R HN 0.352 nan 8.270 nan 0.000 0.536 348 F N 1.923 121.847 119.950 -0.043 0.000 2.102 348 F HA -0.178 4.397 4.527 0.081 0.000 0.298 348 F C 2.147 178.015 175.800 0.113 0.000 1.105 348 F CA 1.780 59.806 58.000 0.044 0.000 1.239 348 F CB -0.062 38.994 39.000 0.094 0.000 0.991 348 F HN 0.101 nan 8.300 nan 0.000 0.474 349 A N 0.255 123.196 122.820 0.203 0.000 1.902 349 A HA -0.108 4.258 4.320 0.077 0.000 0.217 349 A C 2.392 179.981 177.584 0.008 0.000 1.181 349 A CA 1.901 53.992 52.037 0.091 0.000 0.623 349 A CB -1.593 17.466 19.000 0.098 0.000 0.818 349 A HN 0.494 nan 8.150 nan 0.000 0.443 350 A N -1.578 121.240 122.820 -0.003 0.000 1.933 350 A HA -0.120 4.246 4.320 0.077 0.000 0.218 350 A C 2.131 179.638 177.584 -0.128 0.000 1.175 350 A CA 1.696 53.704 52.037 -0.049 0.000 0.628 350 A CB -0.817 18.153 19.000 -0.051 0.000 0.814 350 A HN 0.752 nan 8.150 nan 0.000 0.444 351 Y N -0.802 119.314 120.300 -0.307 0.000 2.145 351 Y HA -0.212 4.387 4.550 0.082 0.000 0.286 351 Y C 1.864 177.418 175.900 -0.577 0.000 1.145 351 Y CA 2.085 59.890 58.100 -0.492 0.000 1.148 351 Y CB -0.418 37.645 38.460 -0.662 0.000 0.981 351 Y HN 0.281 nan 8.280 nan 0.000 0.507 352 F N 0.147 119.880 119.950 -0.361 0.000 2.558 352 F HA -0.079 4.494 4.527 0.078 0.000 0.298 352 F C 2.573 178.206 175.800 -0.279 0.000 1.119 352 F CA 1.015 58.777 58.000 -0.398 0.000 1.451 352 F CB -0.309 38.425 39.000 -0.444 0.000 1.091 352 F HN 0.144 nan 8.300 nan 0.000 0.563 353 Q N 0.717 120.472 119.800 -0.075 0.000 2.061 353 Q HA -0.316 4.070 4.340 0.077 0.000 0.204 353 Q C 2.276 178.200 176.000 -0.127 0.000 0.984 353 Q CA 2.127 57.899 55.803 -0.052 0.000 0.846 353 Q CB -0.183 28.538 28.738 -0.029 0.000 0.902 353 Q HN 0.532 nan 8.270 nan 0.000 0.421 354 Q N -0.921 118.727 119.800 -0.254 0.000 2.016 354 Q HA -0.118 4.269 4.340 0.077 0.000 0.200 354 Q C 2.003 177.791 176.000 -0.354 0.000 0.978 354 Q CA 1.550 57.167 55.803 -0.310 0.000 0.833 354 Q CB -0.431 28.066 28.738 -0.401 0.000 0.895 354 Q HN 0.495 nan 8.270 nan 0.000 0.427 355 G N 0.814 109.295 108.800 -0.530 0.000 2.440 355 G HA2 -0.312 3.694 3.960 0.077 0.000 0.218 355 G HA3 -0.312 3.694 3.960 0.077 0.000 0.218 355 G C 1.239 176.050 174.900 -0.148 0.000 1.154 355 G CA 1.113 45.925 45.100 -0.481 0.000 0.767 355 G HN 0.431 nan 8.290 nan 0.000 0.552 356 D N 0.179 120.572 120.400 -0.011 0.000 2.106 356 D HA 0.014 4.700 4.640 0.077 0.000 0.203 356 D C 2.747 179.060 176.300 0.022 0.000 0.977 356 D CA 0.679 54.714 54.000 0.058 0.000 0.844 356 D CB -0.169 40.683 40.800 0.086 0.000 1.002 356 D HN 0.281 nan 8.370 nan 0.000 0.461 357 M N 0.334 119.928 119.600 -0.010 0.000 2.175 357 M HA -0.077 4.449 4.480 0.077 0.000 0.264 357 M C 2.174 178.448 176.300 -0.044 0.000 1.063 357 M CA 1.032 56.324 55.300 -0.014 0.000 1.119 357 M CB -0.126 32.465 32.600 -0.016 0.000 1.377 357 M HN 0.023 nan 8.290 nan 0.000 0.415 358 E N -0.191 119.959 120.200 -0.083 0.000 2.208 358 E HA -0.109 4.287 4.350 0.077 0.000 0.193 358 E C 1.816 178.370 176.600 -0.077 0.000 0.988 358 E CA 0.927 57.271 56.400 -0.094 0.000 0.828 358 E CB 0.274 29.894 29.700 -0.132 0.000 0.763 358 E HN 0.382 nan 8.360 nan 0.000 0.478 359 S N 0.835 116.498 115.700 -0.061 0.000 2.345 359 S HA -0.029 4.487 4.470 0.077 0.000 0.219 359 S C 1.327 175.907 174.600 -0.033 0.000 1.031 359 S CA 0.924 59.094 58.200 -0.049 0.000 0.984 359 S CB 0.013 63.212 63.200 -0.002 0.000 0.874 359 S HN 0.257 nan 8.310 nan 0.000 0.451 360 N N 0.508 119.225 118.700 0.028 0.000 2.187 360 N HA 0.184 4.970 4.740 0.077 0.000 0.212 360 N C 0.394 175.911 175.510 0.011 0.000 1.152 360 N CA 0.024 53.130 53.050 0.093 0.000 0.872 360 N CB 0.511 39.173 38.487 0.292 0.000 1.025 360 N HN 0.288 nan 8.380 nan 0.000 0.514 361 G N 1.185 109.972 108.800 -0.021 0.000 3.008 361 G HA2 0.141 4.147 3.960 0.077 0.000 0.272 361 G HA3 0.141 4.147 3.960 0.077 0.000 0.272 361 G C 0.140 174.998 174.900 -0.071 0.000 0.764 361 G CA 0.031 45.101 45.100 -0.050 0.000 2.029 361 G HN -0.127 nan 8.290 nan 0.000 0.587 362 K N 0.583 120.938 120.400 -0.075 0.000 2.482 362 K HA 0.306 4.672 4.320 0.077 0.000 0.257 362 K C -0.492 176.086 176.600 -0.036 0.000 0.969 362 K CA -0.953 55.282 56.287 -0.087 0.000 0.842 362 K CB 2.002 34.488 32.500 -0.024 0.000 1.359 362 K HN 0.484 nan 8.250 nan 0.000 0.441 363 Y N -1.237 119.041 120.300 -0.035 0.000 2.666 363 Y HA 0.430 5.034 4.550 0.089 0.000 0.260 363 Y C -0.135 175.742 175.900 -0.038 0.000 1.089 363 Y CA -0.683 57.371 58.100 -0.076 0.000 1.246 363 Y CB 0.843 39.246 38.460 -0.094 0.000 1.353 363 Y HN 0.127 nan 8.280 nan 0.000 0.558 364 I N 3.067 123.741 120.570 0.174 0.000 2.404 364 I HA 0.284 4.500 4.170 0.077 0.000 0.293 364 I C 0.478 176.698 176.117 0.172 0.000 0.992 364 I CA -0.651 60.756 61.300 0.179 0.000 1.149 364 I CB 1.758 39.853 38.000 0.157 0.000 1.315 364 I HN 0.293 nan 8.210 nan 0.000 0.446 365 T N 1.708 116.359 114.554 0.161 0.000 2.862 365 T HA 0.283 4.679 4.350 0.077 0.000 0.276 365 T C 1.116 175.926 174.700 0.183 0.000 0.974 365 T CA -0.612 61.597 62.100 0.181 0.000 0.966 365 T CB 1.672 70.626 68.868 0.143 0.000 1.072 365 T HN 0.670 nan 8.240 nan 0.000 0.538 366 K N 0.222 120.706 120.400 0.141 0.000 2.160 366 K HA -0.155 4.211 4.320 0.077 0.000 0.206 366 K C 2.193 178.729 176.600 -0.107 0.000 1.047 366 K CA 1.798 58.005 56.287 -0.133 0.000 0.930 366 K CB -0.513 31.793 32.500 -0.323 0.000 0.720 366 K HN 0.725 nan 8.250 nan 0.000 0.450 367 S N -1.418 114.271 115.700 -0.018 0.000 2.562 367 S HA 0.099 4.615 4.470 0.077 0.000 0.221 367 S C 1.306 175.919 174.600 0.023 0.000 0.975 367 S CA 0.589 58.785 58.200 -0.007 0.000 0.918 367 S CB 0.252 63.457 63.200 0.009 0.000 0.772 367 S HN 0.560 nan 8.310 nan 0.000 0.531 368 G N 0.537 109.369 108.800 0.054 0.000 2.175 368 G HA2 -0.106 3.900 3.960 0.077 0.000 0.244 368 G HA3 -0.106 3.900 3.960 0.077 0.000 0.244 368 G C 0.254 175.194 174.900 0.067 0.000 0.982 368 G CA -0.092 45.048 45.100 0.066 0.000 0.641 368 G HN 1.300 nan 8.290 nan 0.000 0.527 369 A N 0.503 123.361 122.820 0.063 0.000 2.425 369 A HA 0.653 5.019 4.320 0.077 0.000 0.249 369 A C 0.862 178.484 177.584 0.064 0.000 1.084 369 A CA 0.018 52.087 52.037 0.055 0.000 0.781 369 A CB 0.359 19.389 19.000 0.050 0.000 1.019 369 A HN 0.491 nan 8.150 nan 0.000 0.490 370 R N 1.839 122.362 120.500 0.038 0.000 2.389 370 R HA 0.289 4.675 4.340 0.077 0.000 0.295 370 R C 0.070 176.345 176.300 -0.041 0.000 1.075 370 R CA -0.075 56.034 56.100 0.016 0.000 1.005 370 R CB 0.393 30.663 30.300 -0.049 0.000 0.987 370 R HN 0.759 nan 8.270 nan 0.000 0.452 371 V N 1.889 121.748 119.914 -0.091 0.000 2.763 371 V HA 0.013 4.179 4.120 0.077 0.000 0.306 371 V C 0.465 176.394 176.094 -0.274 0.000 1.059 371 V CA -0.148 61.979 62.300 -0.288 0.000 1.138 371 V CB 0.905 32.365 31.823 -0.605 0.000 0.940 371 V HN 0.849 nan 8.190 nan 0.000 0.489 372 D N 2.075 122.353 120.400 -0.203 0.000 2.643 372 D HA 0.234 4.920 4.640 0.077 0.000 0.244 372 D C 0.021 176.316 176.300 -0.008 0.000 1.257 372 D CA 0.033 53.985 54.000 -0.080 0.000 0.831 372 D CB -0.553 40.256 40.800 0.015 0.000 1.043 372 D HN 1.044 nan 8.370 nan 0.000 0.488 373 H N -3.686 115.350 119.070 -0.058 0.000 2.990 373 H HA 0.489 5.092 4.556 0.078 0.000 0.336 373 H C -0.623 174.615 175.328 -0.150 0.000 1.306 373 H CA -1.065 54.943 56.048 -0.067 0.000 1.118 373 H CB 0.450 30.164 29.762 -0.079 0.000 1.856 373 H HN -0.306 nan 8.280 nan 0.000 0.538 374 Q N 0.862 120.655 119.800 -0.011 0.000 2.392 374 Q HA 0.260 4.646 4.340 0.077 0.000 0.262 374 Q C 0.305 176.013 176.000 -0.486 0.000 1.003 374 Q CA 0.718 56.420 55.803 -0.167 0.000 0.888 374 Q CB 1.517 30.224 28.738 -0.053 0.000 1.260 374 Q HN 0.980 nan 8.270 nan 0.000 0.435 375 T N -2.255 111.881 114.554 -0.695 0.000 2.747 375 T HA 0.527 4.923 4.350 0.077 0.000 0.236 375 T C 0.611 174.678 174.700 -1.055 0.000 1.046 375 T CA -0.232 61.022 62.100 -1.411 0.000 1.054 375 T CB -0.439 67.936 68.868 -0.823 0.000 2.287 375 T HN 0.584 nan 8.240 nan 0.000 0.523 376 G N 3.189 111.632 108.800 -0.595 0.000 2.391 376 G HA2 0.452 4.458 3.960 0.077 0.000 0.234 376 G HA3 0.452 4.458 3.960 0.077 0.000 0.234 376 G C -2.220 172.679 174.900 -0.002 0.000 1.284 376 G CA -0.662 44.392 45.100 -0.077 0.000 0.873 376 G HN 0.679 nan 8.290 nan 0.000 0.549 377 P HA 0.357 nan 4.420 nan 0.000 0.280 377 P C -0.231 177.146 177.300 0.130 0.000 1.272 377 P CA -0.747 62.437 63.100 0.141 0.000 0.819 377 P CB 1.398 33.235 31.700 0.228 0.000 1.122 378 I N 0.552 121.206 120.570 0.140 0.000 2.396 378 I HA 0.109 4.326 4.170 0.077 0.000 0.289 378 I C 0.259 176.539 176.117 0.271 0.000 1.056 378 I CA -0.352 61.035 61.300 0.145 0.000 1.365 378 I CB 0.718 38.768 38.000 0.084 0.000 1.407 378 I HN -0.027 nan 8.210 nan 0.000 0.509 379 V N 7.509 127.561 119.914 0.230 0.000 2.472 379 V HA 0.508 4.674 4.120 0.077 0.000 0.290 379 V C -0.372 175.895 176.094 0.288 0.000 1.037 379 V CA -0.323 62.122 62.300 0.242 0.000 0.908 379 V CB 1.242 33.152 31.823 0.145 0.000 0.985 379 V HN 0.823 nan 8.190 nan 0.000 0.454 380 W N 2.829 124.124 121.300 -0.009 0.000 2.959 380 W HA 0.848 5.553 4.660 0.074 0.000 0.358 380 W C -0.292 176.186 176.519 -0.069 0.000 1.228 380 W CA -0.628 56.678 57.345 -0.064 0.000 1.183 380 W CB 1.272 30.656 29.460 -0.126 0.000 1.467 380 W HN 1.049 nan 8.180 nan 0.000 0.578 381 G N 0.720 109.511 108.800 -0.015 0.000 2.350 381 G HA2 0.354 4.360 3.960 0.077 0.000 0.304 381 G HA3 0.354 4.360 3.960 0.077 0.000 0.304 381 G C -2.004 172.965 174.900 0.116 0.000 1.421 381 G CA -0.890 44.097 45.100 -0.189 0.000 0.934 381 G HN 0.534 nan 8.290 nan 0.000 0.632 382 E N -0.039 120.326 120.200 0.276 0.000 2.393 382 E HA 0.560 4.956 4.350 0.077 0.000 0.273 382 E C -2.605 174.106 176.600 0.185 0.000 0.918 382 E CA -1.460 55.112 56.400 0.287 0.000 0.773 382 E CB 2.962 32.916 29.700 0.423 0.000 1.275 382 E HN 0.394 nan 8.360 nan 0.000 0.451 383 P HA 0.111 nan 4.420 nan 0.000 0.271 383 P C 0.054 177.233 177.300 -0.203 0.000 1.218 383 P CA -0.136 62.960 63.100 -0.007 0.000 0.780 383 P CB 0.525 32.247 31.700 0.037 0.000 0.901 384 G N 0.700 109.170 108.800 -0.550 0.000 2.476 384 G HA2 0.336 4.342 3.960 0.077 0.000 0.269 384 G HA3 0.336 4.342 3.960 0.077 0.000 0.269 384 G C 1.022 175.519 174.900 -0.671 0.000 1.195 384 G CA -0.306 44.147 45.100 -1.078 0.000 0.843 384 G HN 0.539 nan 8.290 nan 0.000 0.545 385 T N -1.038 113.283 114.554 -0.388 0.000 3.129 385 T HA -0.032 4.364 4.350 0.077 0.000 0.251 385 T C 1.696 176.255 174.700 -0.236 0.000 1.117 385 T CA 0.410 62.327 62.100 -0.304 0.000 1.034 385 T CB -0.141 68.719 68.868 -0.014 0.000 0.968 385 T HN 0.403 nan 8.240 nan 0.000 0.526 386 N N 2.281 120.847 118.700 -0.224 0.000 2.094 386 N HA -0.036 4.750 4.740 0.077 0.000 0.191 386 N C 2.172 177.525 175.510 -0.262 0.000 1.023 386 N CA 1.650 54.599 53.050 -0.169 0.000 0.857 386 N CB -0.892 37.524 38.487 -0.119 0.000 1.013 386 N HN 0.562 nan 8.380 nan 0.000 0.426 387 G N 0.658 109.194 108.800 -0.441 0.000 2.469 387 G HA2 -0.328 3.678 3.960 0.077 0.000 0.220 387 G HA3 -0.328 3.678 3.960 0.077 0.000 0.220 387 G C 1.312 175.463 174.900 -1.249 0.000 1.136 387 G CA 0.797 45.342 45.100 -0.926 0.000 0.759 387 G HN 0.389 nan 8.290 nan 0.000 0.562 388 Q N -0.623 118.368 119.800 -1.348 0.000 2.248 388 Q HA -0.116 4.270 4.340 0.077 0.000 0.208 388 Q C 1.851 177.486 176.000 -0.609 0.000 0.984 388 Q CA 1.223 56.333 55.803 -1.155 0.000 0.875 388 Q CB -0.136 28.178 28.738 -0.707 0.000 0.910 388 Q HN 0.679 nan 8.270 nan 0.000 0.433 389 H N -2.171 116.677 119.070 -0.369 0.000 2.586 389 H HA 0.331 4.933 4.556 0.076 0.000 0.273 389 H C 1.062 176.308 175.328 -0.137 0.000 0.997 389 H CA 0.504 56.442 56.048 -0.184 0.000 1.177 389 H CB 0.791 30.466 29.762 -0.145 0.000 1.471 389 H HN 0.251 nan 8.280 nan 0.000 0.538 390 A N 0.790 123.531 122.820 -0.132 0.000 2.042 390 A HA 0.111 4.477 4.320 0.077 0.000 0.207 390 A C 1.226 178.877 177.584 0.110 0.000 1.598 390 A CA 0.231 52.259 52.037 -0.014 0.000 0.818 390 A CB -0.219 18.797 19.000 0.026 0.000 1.169 390 A HN 0.246 nan 8.150 nan 0.000 0.548 391 F N -4.210 115.894 119.950 0.257 0.000 2.798 391 F HA 0.461 5.035 4.527 0.079 0.000 0.328 391 F C 1.138 177.186 175.800 0.414 0.000 1.098 391 F CA -0.800 57.384 58.000 0.306 0.000 1.172 391 F CB -0.108 39.098 39.000 0.343 0.000 1.072 391 F HN 0.062 nan 8.300 nan 0.000 0.555 392 Y N 1.856 122.193 120.300 0.061 0.000 2.403 392 Y HA -0.142 4.453 4.550 0.076 0.000 0.291 392 Y C 2.679 178.770 175.900 0.319 0.000 1.143 392 Y CA 1.285 59.521 58.100 0.225 0.000 1.257 392 Y CB -0.906 37.664 38.460 0.184 0.000 0.984 392 Y HN 0.321 nan 8.280 nan 0.000 0.550 393 Q N 0.704 120.728 119.800 0.374 0.000 2.096 393 Q HA -0.229 4.157 4.340 0.077 0.000 0.208 393 Q C 2.191 178.337 176.000 0.244 0.000 0.993 393 Q CA 2.063 58.027 55.803 0.269 0.000 0.862 393 Q CB -0.803 28.034 28.738 0.165 0.000 0.915 393 Q HN 0.612 nan 8.270 nan 0.000 0.416 394 L N -0.694 120.677 121.223 0.247 0.000 2.072 394 L HA -0.036 4.350 4.340 0.077 0.000 0.205 394 L C 2.177 179.149 176.870 0.169 0.000 1.079 394 L CA 1.060 56.010 54.840 0.183 0.000 0.752 394 L CB -0.171 41.990 42.059 0.171 0.000 0.906 394 L HN 0.356 nan 8.230 nan 0.000 0.436 395 I N -0.948 119.745 120.570 0.204 0.000 2.226 395 I HA -0.318 3.898 4.170 0.077 0.000 0.245 395 I C 2.373 178.486 176.117 -0.007 0.000 1.100 395 I CA 1.092 62.432 61.300 0.066 0.000 1.374 395 I CB -0.691 37.277 38.000 -0.053 0.000 1.057 395 I HN 0.373 nan 8.210 nan 0.000 0.413 396 H N 0.448 119.605 119.070 0.145 0.000 2.372 396 H HA 0.045 4.647 4.556 0.077 0.000 0.301 396 H C 1.277 176.645 175.328 0.067 0.000 1.065 396 H CA 1.136 57.288 56.048 0.174 0.000 1.364 396 H CB 0.301 30.258 29.762 0.326 0.000 1.406 396 H HN 0.468 nan 8.280 nan 0.000 0.521 397 Q N -0.039 119.838 119.800 0.129 0.000 2.093 397 Q HA 0.214 4.600 4.340 0.077 0.000 0.217 397 Q C 0.697 176.701 176.000 0.006 0.000 0.785 397 Q CA -0.293 55.500 55.803 -0.016 0.000 1.038 397 Q CB 1.954 30.605 28.738 -0.145 0.000 1.190 397 Q HN 0.207 nan 8.270 nan 0.000 0.468 398 G N 0.455 109.281 108.800 0.044 0.000 2.510 398 G HA2 0.183 4.189 3.960 0.077 0.000 0.280 398 G HA3 0.183 4.189 3.960 0.077 0.000 0.280 398 G C 0.646 175.559 174.900 0.022 0.000 1.386 398 G CA 0.072 45.193 45.100 0.035 0.000 1.047 398 G HN 0.163 nan 8.290 nan 0.000 0.527 399 T N -2.658 111.908 114.554 0.019 0.000 3.215 399 T HA 0.416 4.812 4.350 0.077 0.000 0.271 399 T C 0.256 174.970 174.700 0.023 0.000 1.012 399 T CA -0.257 61.853 62.100 0.017 0.000 0.899 399 T CB 0.101 68.976 68.868 0.011 0.000 1.089 399 T HN 0.183 nan 8.240 nan 0.000 0.552 400 K N 1.384 121.800 120.400 0.026 0.000 2.270 400 K HA 0.581 4.947 4.320 0.077 0.000 0.255 400 K C -0.788 175.828 176.600 0.027 0.000 0.936 400 K CA -0.631 55.674 56.287 0.030 0.000 0.809 400 K CB 2.062 34.579 32.500 0.028 0.000 1.131 400 K HN 0.215 nan 8.250 nan 0.000 0.427 401 M N 4.698 124.311 119.600 0.022 0.000 2.108 401 M HA 0.398 4.924 4.480 0.077 0.000 0.354 401 M C -1.242 175.045 176.300 -0.023 0.000 1.229 401 M CA -0.262 55.025 55.300 -0.021 0.000 1.081 401 M CB 0.289 32.867 32.600 -0.037 0.000 1.606 401 M HN 0.554 nan 8.290 nan 0.000 0.467 402 I N 7.868 128.406 120.570 -0.053 0.000 2.521 402 I HA 0.353 4.569 4.170 0.077 0.000 0.277 402 I C -2.257 173.772 176.117 -0.147 0.000 1.054 402 I CA -1.894 59.394 61.300 -0.020 0.000 1.117 402 I CB 1.428 39.487 38.000 0.099 0.000 1.217 402 I HN 0.471 nan 8.210 nan 0.000 0.469 403 P HA 0.057 nan 4.420 nan 0.000 0.264 403 P C -0.892 176.226 177.300 -0.303 0.000 1.193 403 P CA -0.036 62.889 63.100 -0.291 0.000 0.763 403 P CB 0.366 31.955 31.700 -0.184 0.000 0.810 404 C N 3.165 122.339 119.300 -0.210 0.000 2.455 404 C HA 0.373 4.879 4.460 0.077 0.000 0.320 404 C C -0.338 174.644 174.990 -0.012 0.000 1.226 404 C CA -0.472 58.416 59.018 -0.217 0.000 1.569 404 C CB 1.337 29.048 27.740 -0.049 0.000 2.200 404 C HN 0.499 nan 8.230 nan 0.000 0.491 405 D N 1.937 122.307 120.400 -0.049 0.000 2.329 405 D HA 0.417 5.104 4.640 0.077 0.000 0.232 405 D C -0.676 175.751 176.300 0.212 0.000 1.088 405 D CA 0.015 54.148 54.000 0.223 0.000 0.835 405 D CB 0.652 41.677 40.800 0.376 0.000 1.078 405 D HN 0.266 nan 8.370 nan 0.000 0.495 406 F N 2.082 122.108 119.950 0.125 0.000 2.410 406 F HA 0.373 4.946 4.527 0.078 0.000 0.349 406 F C 0.067 176.157 175.800 0.484 0.000 1.117 406 F CA -0.623 57.482 58.000 0.176 0.000 1.104 406 F CB 0.727 39.538 39.000 -0.316 0.000 1.122 406 F HN 0.052 nan 8.300 nan 0.000 0.483 407 L N 5.327 126.972 121.223 0.703 0.000 2.362 407 L HA 0.708 5.094 4.340 0.077 0.000 0.271 407 L C -0.778 176.288 176.870 0.327 0.000 1.002 407 L CA -0.465 54.721 54.840 0.576 0.000 0.818 407 L CB 2.295 44.635 42.059 0.469 0.000 1.298 407 L HN 0.555 nan 8.230 nan 0.000 0.420 408 I N 2.865 123.270 120.570 -0.276 0.000 2.785 408 I HA 0.442 4.658 4.170 0.077 0.000 0.293 408 I C -2.745 172.627 176.117 -1.242 0.000 1.446 408 I CA -1.625 59.299 61.300 -0.626 0.000 1.028 408 I CB 3.413 40.836 38.000 -0.961 0.000 1.349 408 I HN 0.397 nan 8.210 nan 0.000 0.438 409 P HA 0.146 nan 4.420 nan 0.000 0.285 409 P C 0.536 177.715 177.300 -0.202 0.000 1.259 409 P CA -0.153 62.623 63.100 -0.541 0.000 0.794 409 P CB 1.908 33.601 31.700 -0.012 0.000 0.940 410 V N 2.733 122.547 119.914 -0.167 0.000 2.295 410 V HA -0.190 3.976 4.120 0.077 0.000 0.246 410 V C 1.319 177.479 176.094 0.110 0.000 1.049 410 V CA 1.817 64.098 62.300 -0.031 0.000 1.024 410 V CB -0.914 30.878 31.823 -0.052 0.000 0.648 410 V HN 0.593 nan 8.190 nan 0.000 0.447 411 Q N 0.006 119.814 119.800 0.012 0.000 2.278 411 Q HA 0.360 4.746 4.340 0.077 0.000 0.257 411 Q C -0.048 175.819 176.000 -0.222 0.000 0.928 411 Q CA -0.091 55.669 55.803 -0.073 0.000 0.932 411 Q CB 1.680 30.399 28.738 -0.031 0.000 1.221 411 Q HN 0.361 nan 8.270 nan 0.000 0.434 412 T N 1.109 115.365 114.554 -0.497 0.000 2.909 412 T HA 0.050 4.446 4.350 0.077 0.000 0.289 412 T C 1.022 175.578 174.700 -0.240 0.000 1.005 412 T CA -0.438 61.365 62.100 -0.496 0.000 1.084 412 T CB 0.863 69.266 68.868 -0.776 0.000 0.975 412 T HN 0.509 nan 8.240 nan 0.000 0.509 413 Q N 1.660 121.354 119.800 -0.177 0.000 2.369 413 Q HA -0.007 4.379 4.340 0.077 0.000 0.206 413 Q C -0.010 175.650 176.000 -0.566 0.000 0.963 413 Q CA 1.101 56.711 55.803 -0.321 0.000 0.894 413 Q CB 0.083 28.659 28.738 -0.269 0.000 0.965 413 Q HN 0.645 nan 8.270 nan 0.000 0.475 414 H N 0.270 119.295 119.070 -0.075 0.000 2.488 414 H HA 0.199 4.801 4.556 0.076 0.000 0.237 414 H C -2.111 173.156 175.328 -0.101 0.000 1.395 414 H CA -1.756 54.242 56.048 -0.083 0.000 1.491 414 H CB 1.053 30.761 29.762 -0.089 0.000 1.567 414 H HN 0.025 nan 8.280 nan 0.000 0.508 415 P HA 0.062 nan 4.420 nan 0.000 0.225 415 P C 0.812 178.117 177.300 0.008 0.000 1.768 415 P CA -0.175 62.915 63.100 -0.016 0.000 0.943 415 P CB -0.851 30.828 31.700 -0.035 0.000 1.936 416 I N -3.191 117.377 120.570 -0.003 0.000 3.060 416 I HA 0.210 4.426 4.170 0.077 0.000 0.285 416 I C 0.755 176.891 176.117 0.032 0.000 1.190 416 I CA -0.637 60.649 61.300 -0.025 0.000 1.363 416 I CB 0.046 37.968 38.000 -0.131 0.000 1.396 416 I HN -0.057 nan 8.210 nan 0.000 0.607 417 R N 2.214 122.737 120.500 0.039 0.000 3.405 417 R HA -0.210 4.176 4.340 0.077 0.000 0.258 417 R C 0.033 176.374 176.300 0.067 0.000 1.030 417 R CA 1.054 57.199 56.100 0.075 0.000 0.691 417 R CB -1.949 28.446 30.300 0.158 0.000 1.093 417 R HN 0.931 nan 8.270 nan 0.000 0.448 418 K N -1.795 118.630 120.400 0.042 0.000 3.069 418 K HA -0.291 4.076 4.320 0.077 0.000 0.267 418 K C 0.831 177.460 176.600 0.047 0.000 1.082 418 K CA 1.076 57.383 56.287 0.035 0.000 0.782 418 K CB -1.632 30.884 32.500 0.026 0.000 1.230 418 K HN 0.899 nan 8.250 nan 0.000 0.488 419 G N -0.137 108.704 108.800 0.068 0.000 2.157 419 G HA2 -0.331 3.675 3.960 0.077 0.000 0.239 419 G HA3 -0.331 3.675 3.960 0.077 0.000 0.239 419 G C 0.587 175.562 174.900 0.124 0.000 0.982 419 G CA 0.315 45.471 45.100 0.094 0.000 0.650 419 G HN 0.252 nan 8.290 nan 0.000 0.527 420 L N 0.452 121.749 121.223 0.124 0.000 2.017 420 L HA 0.047 4.433 4.340 0.077 0.000 0.208 420 L C 2.470 179.399 176.870 0.099 0.000 1.073 420 L CA 2.965 57.860 54.840 0.092 0.000 0.745 420 L CB -0.623 41.477 42.059 0.068 0.000 0.894 420 L HN 0.485 nan 8.230 nan 0.000 0.432 421 H N -2.039 117.061 119.070 0.049 0.000 2.353 421 H HA -0.193 4.409 4.556 0.077 0.000 0.300 421 H C 2.108 177.493 175.328 0.095 0.000 1.090 421 H CA 1.835 57.916 56.048 0.055 0.000 1.327 421 H CB -0.026 29.764 29.762 0.047 0.000 1.383 421 H HN 0.508 nan 8.280 nan 0.000 0.508 422 H N 1.154 120.306 119.070 0.136 0.000 2.423 422 H HA -0.041 4.561 4.556 0.077 0.000 0.297 422 H C 2.387 177.739 175.328 0.040 0.000 1.075 422 H CA 1.240 57.331 56.048 0.071 0.000 1.342 422 H CB 0.147 29.934 29.762 0.042 0.000 1.395 422 H HN 0.111 nan 8.280 nan 0.000 0.530 423 K N 0.259 120.690 120.400 0.051 0.000 2.032 423 K HA -0.146 4.220 4.320 0.077 0.000 0.209 423 K C 2.047 178.620 176.600 -0.044 0.000 1.048 423 K CA 1.915 58.190 56.287 -0.020 0.000 0.927 423 K CB -0.224 32.281 32.500 0.007 0.000 0.712 423 K HN 0.326 nan 8.250 nan 0.000 0.441 424 I N 0.990 121.548 120.570 -0.019 0.000 2.252 424 I HA -0.278 3.939 4.170 0.077 0.000 0.245 424 I C 2.376 178.501 176.117 0.013 0.000 1.102 424 I CA 0.501 61.792 61.300 -0.015 0.000 1.385 424 I CB -0.186 37.792 38.000 -0.037 0.000 1.064 424 I HN 0.176 nan 8.210 nan 0.000 0.414 425 L N 0.571 121.802 121.223 0.014 0.000 2.017 425 L HA -0.194 4.192 4.340 0.077 0.000 0.208 425 L C 2.321 179.213 176.870 0.037 0.000 1.073 425 L CA 1.864 56.749 54.840 0.075 0.000 0.745 425 L CB -0.430 41.667 42.059 0.063 0.000 0.894 425 L HN 0.123 nan 8.230 nan 0.000 0.432 426 L N -0.859 120.262 121.223 -0.169 0.000 2.046 426 L HA -0.208 4.178 4.340 0.077 0.000 0.208 426 L C 2.670 179.525 176.870 -0.024 0.000 1.077 426 L CA 1.270 56.006 54.840 -0.173 0.000 0.747 426 L CB -0.866 41.027 42.059 -0.276 0.000 0.896 426 L HN 0.380 nan 8.230 nan 0.000 0.432 427 A N -0.008 122.796 122.820 -0.027 0.000 1.908 427 A HA -0.239 4.127 4.320 0.077 0.000 0.218 427 A C 2.100 179.692 177.584 0.012 0.000 1.181 427 A CA 2.031 54.060 52.037 -0.013 0.000 0.627 427 A CB -0.642 18.345 19.000 -0.022 0.000 0.818 427 A HN 0.491 nan 8.150 nan 0.000 0.445 428 N N -1.323 117.419 118.700 0.070 0.000 2.142 428 N HA -0.132 4.654 4.740 0.077 0.000 0.186 428 N C 1.616 177.160 175.510 0.057 0.000 1.023 428 N CA 1.516 54.641 53.050 0.125 0.000 0.852 428 N CB -0.413 38.231 38.487 0.261 0.000 0.998 428 N HN 0.555 nan 8.380 nan 0.000 0.424 429 F N 2.277 122.076 119.950 -0.253 0.000 2.091 429 F HA -0.187 4.386 4.527 0.076 0.000 0.299 429 F C 2.128 177.703 175.800 -0.374 0.000 1.103 429 F CA 1.388 59.017 58.000 -0.619 0.000 1.228 429 F CB -0.321 38.350 39.000 -0.547 0.000 0.984 429 F HN -0.074 nan 8.300 nan 0.000 0.477 430 L N -0.243 120.924 121.223 -0.093 0.000 2.044 430 L HA -0.097 4.289 4.340 0.077 0.000 0.205 430 L C 2.824 179.540 176.870 -0.257 0.000 1.075 430 L CA 1.057 55.791 54.840 -0.177 0.000 0.747 430 L CB -1.220 40.814 42.059 -0.043 0.000 0.903 430 L HN 0.224 nan 8.230 nan 0.000 0.435 431 A N -0.766 121.954 122.820 -0.167 0.000 1.930 431 A HA -0.192 4.174 4.320 0.077 0.000 0.217 431 A C 2.288 179.777 177.584 -0.159 0.000 1.175 431 A CA 1.185 53.135 52.037 -0.144 0.000 0.627 431 A CB -0.345 18.605 19.000 -0.083 0.000 0.815 431 A HN 0.376 nan 8.150 nan 0.000 0.443 432 Q N -0.304 119.403 119.800 -0.156 0.000 2.084 432 Q HA -0.151 4.235 4.340 0.077 0.000 0.202 432 Q C 2.436 178.240 176.000 -0.326 0.000 0.978 432 Q CA 2.298 58.055 55.803 -0.077 0.000 0.844 432 Q CB -0.951 27.911 28.738 0.206 0.000 0.898 432 Q HN 0.881 nan 8.270 nan 0.000 0.426 433 T N -1.758 112.386 114.554 -0.684 0.000 2.857 433 T HA -0.109 4.287 4.350 0.077 0.000 0.266 433 T C 1.718 176.195 174.700 -0.373 0.000 1.048 433 T CA 1.234 62.925 62.100 -0.681 0.000 1.139 433 T CB -0.088 68.273 68.868 -0.845 0.000 0.874 433 T HN 0.320 nan 8.240 nan 0.000 0.455 434 E N 1.568 121.574 120.200 -0.324 0.000 2.058 434 E HA -0.152 4.244 4.350 0.077 0.000 0.194 434 E C 2.472 178.965 176.600 -0.177 0.000 0.997 434 E CA 1.222 57.471 56.400 -0.251 0.000 0.801 434 E CB -0.481 29.081 29.700 -0.229 0.000 0.746 434 E HN 0.646 nan 8.360 nan 0.000 0.450 435 A N 0.948 123.688 122.820 -0.133 0.000 1.902 435 A HA -0.155 4.211 4.320 0.077 0.000 0.217 435 A C 2.226 179.830 177.584 0.034 0.000 1.181 435 A CA 1.201 53.199 52.037 -0.065 0.000 0.623 435 A CB -0.675 18.304 19.000 -0.035 0.000 0.818 435 A HN 0.312 nan 8.150 nan 0.000 0.443 436 L N -1.137 120.096 121.223 0.018 0.000 2.083 436 L HA -0.192 4.194 4.340 0.077 0.000 0.209 436 L C 2.855 179.711 176.870 -0.024 0.000 1.083 436 L CA 1.431 56.254 54.840 -0.029 0.000 0.752 436 L CB -0.396 41.554 42.059 -0.182 0.000 0.899 436 L HN 0.491 nan 8.230 nan 0.000 0.433 437 M N 0.035 119.596 119.600 -0.066 0.000 2.064 437 M HA -0.201 4.325 4.480 0.077 0.000 0.260 437 M C 2.224 178.520 176.300 -0.006 0.000 1.073 437 M CA 1.943 57.221 55.300 -0.036 0.000 1.124 437 M CB -0.305 32.236 32.600 -0.099 0.000 1.326 437 M HN 0.099 nan 8.290 nan 0.000 0.410 438 K N -0.433 119.943 120.400 -0.040 0.000 2.076 438 K HA 0.072 4.438 4.320 0.077 0.000 0.204 438 K C 1.148 177.755 176.600 0.011 0.000 1.051 438 K CA 0.699 56.969 56.287 -0.029 0.000 0.949 438 K CB -0.312 32.142 32.500 -0.077 0.000 0.726 438 K HN 0.635 nan 8.250 nan 0.000 0.443 439 G N 1.681 110.498 108.800 0.028 0.000 2.601 439 G HA2 -0.334 3.672 3.960 0.077 0.000 0.261 439 G HA3 -0.334 3.672 3.960 0.077 0.000 0.261 439 G C -0.546 174.372 174.900 0.030 0.000 1.289 439 G CA 0.148 45.304 45.100 0.094 0.000 0.920 439 G HN 0.287 nan 8.290 nan 0.000 0.571 440 K N -0.549 119.924 120.400 0.122 0.000 2.656 440 K HA 0.495 4.861 4.320 0.077 0.000 0.253 440 K C -0.056 176.614 176.600 0.117 0.000 1.002 440 K CA -0.793 55.544 56.287 0.084 0.000 0.880 440 K CB 0.710 33.250 32.500 0.066 0.000 1.232 440 K HN 0.572 nan 8.250 nan 0.000 0.456 441 L N 5.505 126.769 121.223 0.067 0.000 2.452 441 L HA 0.173 4.559 4.340 0.077 0.000 0.267 441 L C -1.476 175.427 176.870 0.055 0.000 1.188 441 L CA -1.683 53.191 54.840 0.057 0.000 0.821 441 L CB 0.434 42.516 42.059 0.038 0.000 1.102 441 L HN 0.543 nan 8.230 nan 0.000 0.470 442 P HA -0.217 nan 4.420 nan 0.000 0.216 442 P C 1.055 178.374 177.300 0.031 0.000 1.157 442 P CA 1.225 64.347 63.100 0.036 0.000 0.880 442 P CB 0.196 31.910 31.700 0.022 0.000 0.791 443 E N -0.334 119.881 120.200 0.025 0.000 2.153 443 E HA -0.175 4.221 4.350 0.077 0.000 0.194 443 E C 1.932 178.544 176.600 0.020 0.000 0.988 443 E CA 1.108 57.520 56.400 0.020 0.000 0.811 443 E CB -0.495 29.214 29.700 0.016 0.000 0.746 443 E HN 0.473 nan 8.360 nan 0.000 0.466 444 E N 0.567 120.780 120.200 0.023 0.000 2.072 444 E HA -0.099 4.297 4.350 0.077 0.000 0.191 444 E C 2.035 178.649 176.600 0.023 0.000 0.985 444 E CA 0.995 57.406 56.400 0.017 0.000 0.801 444 E CB -0.092 29.615 29.700 0.013 0.000 0.750 444 E HN 0.188 nan 8.360 nan 0.000 0.452 445 A N 1.577 124.422 122.820 0.042 0.000 1.930 445 A HA -0.183 4.183 4.320 0.077 0.000 0.217 445 A C 2.104 179.711 177.584 0.039 0.000 1.175 445 A CA 1.307 53.376 52.037 0.053 0.000 0.627 445 A CB -0.416 18.634 19.000 0.083 0.000 0.815 445 A HN 0.064 nan 8.150 nan 0.000 0.443 446 R N -0.012 120.507 120.500 0.032 0.000 2.083 446 R HA -0.167 4.219 4.340 0.077 0.000 0.237 446 R C 2.070 178.381 176.300 0.018 0.000 1.137 446 R CA 1.974 58.089 56.100 0.024 0.000 0.951 446 R CB -0.252 30.060 30.300 0.020 0.000 0.851 446 R HN 0.511 nan 8.270 nan 0.000 0.434 447 K N 0.177 120.586 120.400 0.015 0.000 2.057 447 K HA -0.160 4.206 4.320 0.077 0.000 0.207 447 K C 2.070 178.675 176.600 0.008 0.000 1.049 447 K CA 1.862 58.154 56.287 0.009 0.000 0.931 447 K CB -0.038 32.465 32.500 0.005 0.000 0.714 447 K HN 0.331 nan 8.250 nan 0.000 0.440 448 E N 0.629 120.835 120.200 0.010 0.000 2.077 448 E HA -0.170 4.226 4.350 0.077 0.000 0.193 448 E C 2.011 178.618 176.600 0.011 0.000 0.989 448 E CA 0.995 57.400 56.400 0.008 0.000 0.800 448 E CB -0.040 29.666 29.700 0.010 0.000 0.746 448 E HN 0.218 nan 8.360 nan 0.000 0.452 449 L N 0.819 122.053 121.223 0.018 0.000 2.093 449 L HA -0.189 4.197 4.340 0.077 0.000 0.208 449 L C 2.656 179.534 176.870 0.013 0.000 1.085 449 L CA 0.739 55.590 54.840 0.019 0.000 0.755 449 L CB -0.258 41.817 42.059 0.026 0.000 0.904 449 L HN 0.107 nan 8.230 nan 0.000 0.435 450 Q N -0.074 119.733 119.800 0.011 0.000 2.096 450 Q HA -0.191 4.195 4.340 0.077 0.000 0.204 450 Q C 2.408 178.411 176.000 0.005 0.000 0.982 450 Q CA 1.928 57.736 55.803 0.008 0.000 0.850 450 Q CB -0.290 28.452 28.738 0.007 0.000 0.901 450 Q HN 0.549 nan 8.270 nan 0.000 0.422 451 A N 0.416 123.238 122.820 0.004 0.000 2.015 451 A HA 0.021 4.387 4.320 0.077 0.000 0.219 451 A C 2.156 179.740 177.584 0.001 0.000 1.163 451 A CA 1.443 53.481 52.037 0.001 0.000 0.646 451 A CB -0.374 18.625 19.000 -0.002 0.000 0.806 451 A HN 0.341 nan 8.150 nan 0.000 0.448 452 A N -1.698 121.123 122.820 0.003 0.000 2.119 452 A HA 0.376 4.742 4.320 0.077 0.000 0.217 452 A C 1.778 179.363 177.584 0.002 0.000 1.153 452 A CA 1.384 53.422 52.037 0.002 0.000 0.692 452 A CB -0.760 18.243 19.000 0.005 0.000 0.799 452 A HN 1.853 nan 8.150 nan 0.000 0.458 453 G N -1.038 107.764 108.800 0.003 0.000 2.131 453 G HA2 -0.169 3.837 3.960 0.077 0.000 0.201 453 G HA3 -0.169 3.837 3.960 0.077 0.000 0.201 453 G C -0.063 174.840 174.900 0.004 0.000 1.000 453 G CA 0.036 45.137 45.100 0.003 0.000 0.680 453 G HN 0.354 nan 8.290 nan 0.000 0.514 454 K N 1.484 121.888 120.400 0.006 0.000 2.298 454 K HA 0.450 4.816 4.320 0.077 0.000 0.280 454 K C 1.133 177.737 176.600 0.007 0.000 1.032 454 K CA 0.352 56.644 56.287 0.007 0.000 0.958 454 K CB 1.402 33.909 32.500 0.011 0.000 0.978 454 K HN 0.667 nan 8.250 nan 0.000 0.472 455 S N 2.258 117.962 115.700 0.007 0.000 2.579 455 S HA 0.122 4.638 4.470 0.077 0.000 0.275 455 S C -1.693 172.912 174.600 0.009 0.000 1.345 455 S CA -0.990 57.214 58.200 0.006 0.000 1.031 455 S CB 0.874 64.077 63.200 0.005 0.000 0.892 455 S HN 0.275 nan 8.310 nan 0.000 0.529 456 P HA -0.162 nan 4.420 nan 0.000 0.218 456 P C 1.259 178.565 177.300 0.011 0.000 1.152 456 P CA 1.550 64.656 63.100 0.009 0.000 0.857 456 P CB 0.083 31.787 31.700 0.008 0.000 0.787 457 E N -1.044 119.162 120.200 0.010 0.000 2.046 457 E HA -0.152 4.244 4.350 0.077 0.000 0.190 457 E C 1.599 178.207 176.600 0.014 0.000 0.982 457 E CA 1.058 57.465 56.400 0.011 0.000 0.800 457 E CB -0.295 29.410 29.700 0.009 0.000 0.756 457 E HN 0.109 nan 8.360 nan 0.000 0.449 458 D N 0.356 120.763 120.400 0.012 0.000 2.144 458 D HA -0.142 4.544 4.640 0.077 0.000 0.200 458 D C 1.967 178.279 176.300 0.020 0.000 0.978 458 D CA 0.474 54.481 54.000 0.013 0.000 0.833 458 D CB -0.163 40.642 40.800 0.008 0.000 0.961 458 D HN 0.166 nan 8.370 nan 0.000 0.470 459 L N 0.721 121.956 121.223 0.020 0.000 1.989 459 L HA -0.213 4.173 4.340 0.077 0.000 0.211 459 L C 2.170 179.060 176.870 0.033 0.000 1.071 459 L CA 1.635 56.490 54.840 0.025 0.000 0.749 459 L CB -0.044 42.027 42.059 0.020 0.000 0.890 459 L HN -0.153 nan 8.230 nan 0.000 0.431 460 E N 0.076 120.293 120.200 0.028 0.000 2.110 460 E HA -0.229 4.167 4.350 0.077 0.000 0.193 460 E C 2.153 178.779 176.600 0.044 0.000 0.988 460 E CA 1.323 57.740 56.400 0.029 0.000 0.804 460 E CB 0.011 29.724 29.700 0.021 0.000 0.745 460 E HN 0.371 nan 8.360 nan 0.000 0.458 461 K N -0.384 120.045 120.400 0.048 0.000 2.057 461 K HA -0.059 4.307 4.320 0.077 0.000 0.207 461 K C 2.089 178.766 176.600 0.128 0.000 1.049 461 K CA 0.953 57.281 56.287 0.069 0.000 0.931 461 K CB -0.115 32.410 32.500 0.041 0.000 0.714 461 K HN 0.189 nan 8.250 nan 0.000 0.440 462 L N 0.812 122.094 121.223 0.099 0.000 2.270 462 L HA -0.088 4.298 4.340 0.077 0.000 0.210 462 L C 2.209 179.176 176.870 0.161 0.000 1.104 462 L CA 0.156 55.071 54.840 0.126 0.000 0.804 462 L CB -0.095 41.998 42.059 0.056 0.000 0.937 462 L HN 0.178 nan 8.230 nan 0.000 0.450 463 L N 1.555 122.836 121.223 0.097 0.000 1.978 463 L HA -0.177 4.209 4.340 0.077 0.000 0.218 463 L C -0.540 176.353 176.870 0.037 0.000 1.075 463 L CA 2.412 57.289 54.840 0.062 0.000 0.767 463 L CB -1.689 40.392 42.059 0.037 0.000 0.890 463 L HN 0.113 nan 8.230 nan 0.000 0.434 464 P HA -0.193 nan 4.420 nan 0.000 0.218 464 P C 1.219 178.411 177.300 -0.181 0.000 1.149 464 P CA 1.743 64.769 63.100 -0.123 0.000 0.817 464 P CB -0.520 31.055 31.700 -0.208 0.000 0.785 465 H N 0.063 119.112 119.070 -0.034 0.000 2.491 465 H HA 0.048 4.650 4.556 0.077 0.000 0.290 465 H C 1.442 176.720 175.328 -0.083 0.000 1.050 465 H CA 0.913 56.926 56.048 -0.060 0.000 1.309 465 H CB 0.071 29.810 29.762 -0.037 0.000 1.392 465 H HN 0.208 nan 8.280 nan 0.000 0.554 466 K N 1.013 121.458 120.400 0.075 0.000 2.374 466 K HA 0.159 4.525 4.320 0.077 0.000 0.196 466 K C 0.295 176.979 176.600 0.141 0.000 1.023 466 K CA -0.015 56.335 56.287 0.105 0.000 1.103 466 K CB 0.947 33.525 32.500 0.129 0.000 0.848 466 K HN -0.027 nan 8.250 nan 0.000 0.528 467 V N 2.276 122.205 119.914 0.025 0.000 2.498 467 V HA 0.192 4.358 4.120 0.077 0.000 0.279 467 V C -0.284 175.798 176.094 -0.020 0.000 1.048 467 V CA -0.322 62.023 62.300 0.073 0.000 0.967 467 V CB 0.302 32.135 31.823 0.016 0.000 0.988 467 V HN -0.025 nan 8.190 nan 0.000 0.473 468 F N 2.917 122.880 119.950 0.021 0.000 2.402 468 F HA 0.419 4.992 4.527 0.076 0.000 0.355 468 F C 1.283 177.106 175.800 0.038 0.000 1.123 468 F CA -0.689 57.335 58.000 0.040 0.000 1.021 468 F CB 1.451 40.477 39.000 0.043 0.000 1.160 468 F HN 0.563 nan 8.300 nan 0.000 0.451 469 E N 2.223 122.515 120.200 0.152 0.000 2.268 469 E HA 0.083 4.479 4.350 0.077 0.000 0.195 469 E C 1.665 178.336 176.600 0.119 0.000 0.995 469 E CA 0.579 57.043 56.400 0.106 0.000 0.836 469 E CB 0.009 29.745 29.700 0.060 0.000 0.763 469 E HN 0.948 nan 8.360 nan 0.000 0.491 470 G N 1.829 110.725 108.800 0.160 0.000 2.564 470 G HA2 -0.444 3.562 3.960 0.077 0.000 0.273 470 G HA3 -0.444 3.562 3.960 0.077 0.000 0.273 470 G C 0.243 175.190 174.900 0.078 0.000 1.242 470 G CA 0.139 45.314 45.100 0.125 0.000 0.951 470 G HN 0.332 nan 8.290 nan 0.000 0.564 471 N N -1.082 117.657 118.700 0.065 0.000 2.714 471 N HA -0.179 4.607 4.740 0.077 0.000 0.250 471 N C 0.235 175.763 175.510 0.030 0.000 1.117 471 N CA 1.827 54.915 53.050 0.063 0.000 0.719 471 N CB -0.607 37.925 38.487 0.076 0.000 1.081 471 N HN 0.830 nan 8.380 nan 0.000 0.557 472 R N 0.722 121.224 120.500 0.003 0.000 2.198 472 R HA 0.359 4.746 4.340 0.077 0.000 0.339 472 R C -2.167 174.094 176.300 -0.066 0.000 1.020 472 R CA -1.433 54.636 56.100 -0.052 0.000 0.864 472 R CB 1.083 31.341 30.300 -0.069 0.000 1.105 472 R HN 0.157 nan 8.270 nan 0.000 0.463 473 P HA 0.105 nan 4.420 nan 0.000 0.279 473 P C -0.816 176.456 177.300 -0.047 0.000 1.239 473 P CA -0.313 62.769 63.100 -0.028 0.000 0.789 473 P CB 1.640 33.335 31.700 -0.008 0.000 0.933 474 T N -0.712 113.858 114.554 0.027 0.000 2.896 474 T HA 0.476 4.872 4.350 0.077 0.000 0.297 474 T C -0.481 174.312 174.700 0.155 0.000 1.108 474 T CA -0.979 61.155 62.100 0.057 0.000 1.004 474 T CB 0.972 69.797 68.868 -0.072 0.000 1.159 474 T HN 0.263 nan 8.240 nan 0.000 0.499 475 N N 0.282 119.115 118.700 0.222 0.000 2.443 475 N HA 0.581 5.367 4.740 0.077 0.000 0.295 475 N C -0.960 174.704 175.510 0.257 0.000 1.076 475 N CA -0.764 52.452 53.050 0.275 0.000 0.919 475 N CB 1.479 40.165 38.487 0.332 0.000 1.176 475 N HN 0.516 nan 8.380 nan 0.000 0.487 476 S N 1.701 117.550 115.700 0.248 0.000 2.456 476 S HA 0.463 4.979 4.470 0.077 0.000 0.316 476 S C -0.478 174.362 174.600 0.400 0.000 1.089 476 S CA -0.534 57.847 58.200 0.301 0.000 1.101 476 S CB 0.274 63.584 63.200 0.184 0.000 0.995 476 S HN 0.358 nan 8.310 nan 0.000 0.468 477 I N 3.862 124.721 120.570 0.482 0.000 2.390 477 I HA 0.410 4.626 4.170 0.077 0.000 0.283 477 I C -0.834 175.518 176.117 0.392 0.000 1.016 477 I CA -0.590 60.974 61.300 0.440 0.000 1.151 477 I CB 1.362 39.636 38.000 0.455 0.000 1.293 477 I HN 0.239 nan 8.210 nan 0.000 0.458 478 V N 7.047 127.115 119.914 0.256 0.000 2.604 478 V HA 0.575 4.741 4.120 0.077 0.000 0.305 478 V C -0.508 175.619 176.094 0.056 0.000 1.043 478 V CA -0.694 61.555 62.300 -0.085 0.000 0.888 478 V CB 1.536 33.313 31.823 -0.077 0.000 0.995 478 V HN 0.518 nan 8.190 nan 0.000 0.429 479 F N 0.003 119.978 119.950 0.041 0.000 2.599 479 F HA 0.604 5.178 4.527 0.078 0.000 0.311 479 F C 1.198 177.027 175.800 0.048 0.000 1.076 479 F CA -0.864 57.170 58.000 0.058 0.000 0.937 479 F CB 1.131 40.166 39.000 0.059 0.000 1.282 479 F HN 0.299 nan 8.300 nan 0.000 0.460 480 T N -0.572 114.114 114.554 0.221 0.000 2.665 480 T HA -0.154 4.242 4.350 0.077 0.000 0.268 480 T C 0.278 175.049 174.700 0.118 0.000 1.035 480 T CA 1.835 64.010 62.100 0.124 0.000 1.151 480 T CB -0.202 68.745 68.868 0.131 0.000 0.862 480 T HN 0.618 nan 8.240 nan 0.000 0.438 481 K N -0.398 120.134 120.400 0.220 0.000 2.578 481 K HA 0.380 4.746 4.320 0.077 0.000 0.269 481 K C -2.079 174.713 176.600 0.321 0.000 0.941 481 K CA -0.753 55.657 56.287 0.206 0.000 0.847 481 K CB 1.344 33.921 32.500 0.128 0.000 1.397 481 K HN -0.078 nan 8.250 nan 0.000 0.422 482 L N 4.138 125.550 121.223 0.316 0.000 2.384 482 L HA 0.225 4.611 4.340 0.077 0.000 0.258 482 L C -0.229 176.751 176.870 0.182 0.000 1.266 482 L CA 0.328 55.329 54.840 0.268 0.000 1.162 482 L CB -0.235 42.008 42.059 0.307 0.000 1.375 482 L HN 0.684 nan 8.230 nan 0.000 0.420 483 T N 0.555 115.184 114.554 0.124 0.000 2.847 483 T HA 0.428 4.824 4.350 0.077 0.000 0.279 483 T C -1.703 172.924 174.700 -0.122 0.000 0.984 483 T CA -1.697 60.404 62.100 0.000 0.000 0.988 483 T CB 0.966 69.855 68.868 0.035 0.000 1.040 483 T HN 0.186 nan 8.240 nan 0.000 0.528 484 P HA -0.055 nan 4.420 nan 0.000 0.216 484 P C 1.246 178.510 177.300 -0.060 0.000 1.153 484 P CA 0.828 63.792 63.100 -0.226 0.000 0.858 484 P CB -0.143 31.378 31.700 -0.297 0.000 0.789 485 F N 0.057 119.919 119.950 -0.147 0.000 2.069 485 F HA -0.201 4.373 4.527 0.078 0.000 0.298 485 F C 2.006 177.767 175.800 -0.064 0.000 1.113 485 F CA 1.498 59.440 58.000 -0.097 0.000 1.214 485 F CB -0.504 38.416 39.000 -0.133 0.000 0.978 485 F HN -0.246 nan 8.300 nan 0.000 0.474 486 I N 0.077 120.751 120.570 0.173 0.000 2.315 486 I HA -0.221 3.995 4.170 0.077 0.000 0.248 486 I C 2.393 178.434 176.117 -0.126 0.000 1.117 486 I CA 1.018 62.339 61.300 0.035 0.000 1.404 486 I CB -1.381 36.664 38.000 0.076 0.000 1.071 486 I HN 0.294 nan 8.210 nan 0.000 0.419 487 L N 1.596 122.761 121.223 -0.096 0.000 2.046 487 L HA -0.075 4.311 4.340 0.077 0.000 0.208 487 L C 2.416 179.301 176.870 0.024 0.000 1.077 487 L CA 2.254 57.050 54.840 -0.074 0.000 0.747 487 L CB -1.248 40.780 42.059 -0.051 0.000 0.896 487 L HN 0.195 nan 8.230 nan 0.000 0.432 488 G N -1.049 107.758 108.800 0.012 0.000 2.440 488 G HA2 -0.280 3.726 3.960 0.077 0.000 0.218 488 G HA3 -0.280 3.726 3.960 0.077 0.000 0.218 488 G C 1.595 176.549 174.900 0.089 0.000 1.154 488 G CA 0.886 46.083 45.100 0.161 0.000 0.767 488 G HN 0.660 nan 8.290 nan 0.000 0.552 489 A N 0.448 123.208 122.820 -0.100 0.000 1.898 489 A HA 0.131 4.498 4.320 0.077 0.000 0.216 489 A C 2.443 180.065 177.584 0.063 0.000 1.181 489 A CA 1.247 53.255 52.037 -0.049 0.000 0.620 489 A CB -0.359 18.561 19.000 -0.133 0.000 0.819 489 A HN 0.357 nan 8.150 nan 0.000 0.442 490 L N -0.588 120.665 121.223 0.050 0.000 2.056 490 L HA -0.146 4.241 4.340 0.077 0.000 0.207 490 L C 2.452 179.569 176.870 0.410 0.000 1.078 490 L CA 1.127 56.053 54.840 0.142 0.000 0.749 490 L CB -0.521 41.534 42.059 -0.008 0.000 0.901 490 L HN 0.370 nan 8.230 nan 0.000 0.433 491 I N 0.010 120.874 120.570 0.489 0.000 2.179 491 I HA -0.274 3.943 4.170 0.077 0.000 0.242 491 I C 2.828 179.307 176.117 0.603 0.000 1.088 491 I CA 1.211 62.941 61.300 0.717 0.000 1.357 491 I CB -0.555 37.789 38.000 0.573 0.000 1.051 491 I HN 0.184 nan 8.210 nan 0.000 0.409 492 A N 0.546 123.573 122.820 0.345 0.000 1.933 492 A HA -0.263 4.103 4.320 0.077 0.000 0.218 492 A C 2.423 179.985 177.584 -0.037 0.000 1.175 492 A CA 1.833 53.897 52.037 0.044 0.000 0.628 492 A CB -0.672 18.269 19.000 -0.098 0.000 0.814 492 A HN 0.464 nan 8.150 nan 0.000 0.444 493 M N -1.817 117.827 119.600 0.073 0.000 2.080 493 M HA -0.210 4.316 4.480 0.077 0.000 0.260 493 M C 2.019 178.246 176.300 -0.121 0.000 1.068 493 M CA 1.988 57.280 55.300 -0.014 0.000 1.109 493 M CB -0.278 32.287 32.600 -0.058 0.000 1.342 493 M HN 0.526 nan 8.290 nan 0.000 0.405 494 Y N 0.541 120.809 120.300 -0.054 0.000 2.242 494 Y HA -0.184 4.412 4.550 0.077 0.000 0.291 494 Y C 2.271 178.141 175.900 -0.051 0.000 1.137 494 Y CA 1.605 59.553 58.100 -0.252 0.000 1.181 494 Y CB -0.224 37.633 38.460 -1.005 0.000 0.989 494 Y HN 0.357 nan 8.280 nan 0.000 0.527 495 E N -0.665 119.709 120.200 0.291 0.000 2.070 495 E HA -0.249 4.147 4.350 0.077 0.000 0.197 495 E C 1.801 178.524 176.600 0.205 0.000 1.004 495 E CA 1.523 58.131 56.400 0.347 0.000 0.805 495 E CB -0.216 29.649 29.700 0.275 0.000 0.744 495 E HN 0.590 nan 8.360 nan 0.000 0.451 496 H N 0.400 119.510 119.070 0.067 0.000 2.428 496 H HA -0.004 4.598 4.556 0.077 0.000 0.296 496 H C 1.988 177.212 175.328 -0.174 0.000 1.062 496 H CA 0.880 56.788 56.048 -0.233 0.000 1.350 496 H CB -0.093 29.118 29.762 -0.919 0.000 1.403 496 H HN 0.104 nan 8.280 nan 0.000 0.533 497 K N 1.190 121.578 120.400 -0.019 0.000 2.009 497 K HA -0.135 4.231 4.320 0.077 0.000 0.210 497 K C 2.108 178.731 176.600 0.038 0.000 1.049 497 K CA 1.389 57.659 56.287 -0.029 0.000 0.929 497 K CB -0.198 32.260 32.500 -0.071 0.000 0.714 497 K HN 0.142 nan 8.250 nan 0.000 0.440 498 I N 0.648 121.293 120.570 0.126 0.000 2.163 498 I HA -0.280 3.937 4.170 0.077 0.000 0.243 498 I C 2.340 178.552 176.117 0.158 0.000 1.085 498 I CA 1.239 62.630 61.300 0.151 0.000 1.347 498 I CB -0.356 37.786 38.000 0.238 0.000 1.044 498 I HN 0.184 nan 8.210 nan 0.000 0.408 499 F N 1.288 121.325 119.950 0.144 0.000 2.065 499 F HA -0.261 4.310 4.527 0.074 0.000 0.298 499 F C 2.382 178.257 175.800 0.126 0.000 1.112 499 F CA 1.903 60.030 58.000 0.211 0.000 1.212 499 F CB -0.556 38.685 39.000 0.402 0.000 0.975 499 F HN -0.210 nan 8.300 nan 0.000 0.476 500 V N 0.583 120.531 119.914 0.057 0.000 2.343 500 V HA -0.341 3.825 4.120 0.077 0.000 0.247 500 V C 2.360 178.280 176.094 -0.290 0.000 1.051 500 V CA 2.326 64.567 62.300 -0.097 0.000 1.036 500 V CB -0.919 30.929 31.823 0.043 0.000 0.654 500 V HN 0.438 nan 8.190 nan 0.000 0.451 501 Q N 0.019 119.620 119.800 -0.332 0.000 2.084 501 Q HA -0.155 4.232 4.340 0.077 0.000 0.202 501 Q C 2.420 178.007 176.000 -0.688 0.000 0.978 501 Q CA 1.728 57.103 55.803 -0.714 0.000 0.844 501 Q CB -0.593 27.684 28.738 -0.768 0.000 0.898 501 Q HN 0.726 nan 8.270 nan 0.000 0.426 502 G N 1.239 109.881 108.800 -0.264 0.000 2.440 502 G HA2 -0.228 3.778 3.960 0.077 0.000 0.218 502 G HA3 -0.228 3.778 3.960 0.077 0.000 0.218 502 G C 1.388 176.232 174.900 -0.092 0.000 1.154 502 G CA 0.594 45.671 45.100 -0.039 0.000 0.767 502 G HN 0.157 nan 8.290 nan 0.000 0.552 503 I N 0.967 121.366 120.570 -0.285 0.000 2.179 503 I HA -0.118 4.098 4.170 0.077 0.000 0.242 503 I C 2.901 178.931 176.117 -0.145 0.000 1.088 503 I CA 1.115 62.278 61.300 -0.228 0.000 1.357 503 I CB -1.033 36.743 38.000 -0.373 0.000 1.051 503 I HN 0.243 nan 8.210 nan 0.000 0.409 504 M N -1.247 118.204 119.600 -0.248 0.000 2.159 504 M HA -0.220 4.306 4.480 0.077 0.000 0.263 504 M C 1.911 178.116 176.300 -0.159 0.000 1.063 504 M CA 1.609 56.756 55.300 -0.255 0.000 1.110 504 M CB -0.379 31.989 32.600 -0.386 0.000 1.374 504 M HN 0.273 nan 8.290 nan 0.000 0.411 505 W N 0.169 121.435 121.300 -0.058 0.000 3.047 505 W HA 0.020 4.725 4.660 0.075 0.000 0.250 505 W C 0.487 177.050 176.519 0.073 0.000 1.314 505 W CA 0.444 57.798 57.345 0.014 0.000 1.540 505 W CB -0.861 28.664 29.460 0.108 0.000 1.127 505 W HN 0.365 nan 8.180 nan 0.000 0.679 506 D N 0.046 120.576 120.400 0.215 0.000 2.907 506 D HA -0.202 4.484 4.640 0.077 0.000 0.226 506 D C -0.032 176.415 176.300 0.245 0.000 1.141 506 D CA 0.907 55.014 54.000 0.179 0.000 0.779 506 D CB -1.394 39.491 40.800 0.142 0.000 1.095 506 D HN 0.275 nan 8.370 nan 0.000 0.430 507 I N -4.000 116.732 120.570 0.269 0.000 2.947 507 I HA 0.542 4.758 4.170 0.077 0.000 0.314 507 I C 0.425 176.679 176.117 0.228 0.000 1.028 507 I CA -1.093 60.363 61.300 0.260 0.000 1.077 507 I CB 1.346 39.475 38.000 0.215 0.000 1.274 507 I HN -0.151 nan 8.210 nan 0.000 0.485 508 N N 1.943 120.723 118.700 0.134 0.000 2.437 508 N HA 0.216 5.002 4.740 0.077 0.000 0.243 508 N C 0.201 175.648 175.510 -0.105 0.000 1.041 508 N CA -0.015 53.003 53.050 -0.053 0.000 0.940 508 N CB 0.978 39.256 38.487 -0.348 0.000 1.133 508 N HN 0.655 nan 8.380 nan 0.000 0.506 509 S N 2.527 118.067 115.700 -0.266 0.000 2.555 509 S HA 0.056 4.572 4.470 0.077 0.000 0.230 509 S C 0.586 174.781 174.600 -0.675 0.000 0.978 509 S CA 0.552 58.403 58.200 -0.582 0.000 0.934 509 S CB -0.193 62.448 63.200 -0.933 0.000 0.766 509 S HN 0.623 nan 8.310 nan 0.000 0.533 510 F N 0.850 120.843 119.950 0.072 0.000 2.706 510 F HA 0.256 4.825 4.527 0.071 0.000 0.313 510 F C 0.625 176.404 175.800 -0.036 0.000 1.096 510 F CA -0.872 57.175 58.000 0.079 0.000 1.219 510 F CB 0.351 39.405 39.000 0.089 0.000 1.051 510 F HN 0.087 nan 8.300 nan 0.000 0.568 511 D N -0.061 120.309 120.400 -0.051 0.000 2.487 511 D HA 0.323 5.009 4.640 0.077 0.000 0.262 511 D C -0.128 175.969 176.300 -0.338 0.000 1.130 511 D CA -0.540 53.280 54.000 -0.300 0.000 1.038 511 D CB 0.567 41.086 40.800 -0.468 0.000 1.142 511 D HN 0.051 nan 8.370 nan 0.000 0.575 512 Q N -0.722 118.733 119.800 -0.574 0.000 3.693 512 Q HA 0.101 4.487 4.340 0.077 0.000 0.226 512 Q C -0.730 175.078 176.000 -0.320 0.000 0.757 512 Q CA -0.546 55.053 55.803 -0.341 0.000 0.891 512 Q CB -1.351 27.265 28.738 -0.203 0.000 1.561 512 Q HN 0.776 nan 8.270 nan 0.000 0.390 513 W N 1.083 122.362 121.300 -0.034 0.000 2.392 513 W HA 0.023 4.684 4.660 0.001 0.000 0.279 513 W C 1.998 178.490 176.519 -0.044 0.000 1.225 513 W CA 1.153 58.476 57.345 -0.035 0.000 1.233 513 W CB 0.099 29.533 29.460 -0.044 0.000 1.122 513 W HN 0.617 nan 8.180 nan 0.000 0.561 514 G N -0.001 108.863 108.800 0.107 0.000 2.408 514 G HA2 -0.201 3.805 3.960 0.077 0.000 0.217 514 G HA3 -0.201 3.805 3.960 0.077 0.000 0.217 514 G C 1.429 176.345 174.900 0.026 0.000 1.150 514 G CA 1.223 46.350 45.100 0.044 0.000 0.776 514 G HN 0.148 nan 8.290 nan 0.000 0.542 515 V N 0.715 120.625 119.914 -0.007 0.000 2.453 515 V HA -0.071 4.095 4.120 0.077 0.000 0.247 515 V C 2.767 178.866 176.094 0.008 0.000 1.048 515 V CA 1.712 64.000 62.300 -0.020 0.000 1.049 515 V CB -0.124 31.663 31.823 -0.059 0.000 0.672 515 V HN 0.268 nan 8.190 nan 0.000 0.457 516 E N 0.009 120.230 120.200 0.035 0.000 2.110 516 E HA -0.211 4.185 4.350 0.077 0.000 0.193 516 E C 2.070 178.738 176.600 0.114 0.000 0.988 516 E CA 1.012 57.470 56.400 0.097 0.000 0.804 516 E CB -0.573 29.255 29.700 0.213 0.000 0.745 516 E HN 0.486 nan 8.360 nan 0.000 0.458 517 L N 1.023 122.318 121.223 0.119 0.000 1.989 517 L HA -0.101 4.286 4.340 0.077 0.000 0.211 517 L C 2.210 179.112 176.870 0.053 0.000 1.071 517 L CA 2.470 57.361 54.840 0.085 0.000 0.749 517 L CB -1.047 41.057 42.059 0.074 0.000 0.890 517 L HN 0.167 nan 8.230 nan 0.000 0.431 518 G N -0.507 108.315 108.800 0.037 0.000 2.513 518 G HA2 -0.341 3.665 3.960 0.077 0.000 0.219 518 G HA3 -0.341 3.665 3.960 0.077 0.000 0.219 518 G C 1.567 176.479 174.900 0.020 0.000 1.160 518 G CA 1.097 46.209 45.100 0.020 0.000 0.767 518 G HN 0.501 nan 8.290 nan 0.000 0.571 519 K N 0.346 120.760 120.400 0.024 0.000 2.519 519 K HA -0.054 4.312 4.320 0.077 0.000 0.196 519 K C 2.233 178.851 176.600 0.029 0.000 1.041 519 K CA 0.973 57.272 56.287 0.021 0.000 0.954 519 K CB 0.050 32.562 32.500 0.021 0.000 0.774 519 K HN 0.586 nan 8.250 nan 0.000 0.480 520 Q N 0.580 120.402 119.800 0.037 0.000 2.247 520 Q HA 0.079 4.465 4.340 0.077 0.000 0.211 520 Q C 1.435 177.456 176.000 0.034 0.000 0.861 520 Q CA 0.057 55.883 55.803 0.038 0.000 0.949 520 Q CB 0.436 29.202 28.738 0.047 0.000 1.115 520 Q HN 0.277 nan 8.270 nan 0.000 0.507 521 L N -0.068 121.172 121.223 0.030 0.000 2.145 521 L HA 0.215 4.601 4.340 0.077 0.000 0.201 521 L C 2.446 179.332 176.870 0.027 0.000 1.075 521 L CA 0.879 55.736 54.840 0.029 0.000 0.773 521 L CB -0.392 41.680 42.059 0.022 0.000 0.936 521 L HN 0.216 nan 8.230 nan 0.000 0.451 522 A N -0.035 122.796 122.820 0.019 0.000 2.067 522 A HA -0.177 4.189 4.320 0.077 0.000 0.219 522 A C 2.184 179.782 177.584 0.023 0.000 1.158 522 A CA 1.302 53.348 52.037 0.015 0.000 0.661 522 A CB -0.262 18.743 19.000 0.008 0.000 0.801 522 A HN 0.142 nan 8.150 nan 0.000 0.452 523 K N 0.431 120.847 120.400 0.027 0.000 2.152 523 K HA -0.089 4.277 4.320 0.077 0.000 0.206 523 K C 1.896 178.520 176.600 0.040 0.000 1.048 523 K CA 1.554 57.859 56.287 0.030 0.000 0.933 523 K CB -0.126 32.390 32.500 0.028 0.000 0.721 523 K HN 0.511 nan 8.250 nan 0.000 0.447 524 K N -0.313 120.119 120.400 0.054 0.000 2.097 524 K HA -0.023 4.343 4.320 0.077 0.000 0.205 524 K C 1.921 178.584 176.600 0.105 0.000 1.050 524 K CA 1.190 57.524 56.287 0.079 0.000 0.938 524 K CB -0.010 32.553 32.500 0.105 0.000 0.718 524 K HN 0.154 nan 8.250 nan 0.000 0.442 525 I N 0.617 121.237 120.570 0.084 0.000 2.703 525 I HA -0.141 4.075 4.170 0.077 0.000 0.259 525 I C 1.976 178.122 176.117 0.048 0.000 1.151 525 I CA 0.580 61.922 61.300 0.069 0.000 1.470 525 I CB -0.028 37.965 38.000 -0.012 0.000 1.112 525 I HN 0.164 nan 8.210 nan 0.000 0.437 526 E N 1.491 121.712 120.200 0.035 0.000 2.048 526 E HA -0.245 4.151 4.350 0.077 0.000 0.202 526 E C -0.644 175.974 176.600 0.029 0.000 1.021 526 E CA 1.966 58.382 56.400 0.026 0.000 0.825 526 E CB -1.039 28.674 29.700 0.022 0.000 0.756 526 E HN 0.407 nan 8.360 nan 0.000 0.454 527 P HA -0.142 nan 4.420 nan 0.000 0.220 527 P C 0.491 177.812 177.300 0.034 0.000 1.148 527 P CA 1.303 64.420 63.100 0.029 0.000 0.803 527 P CB 0.003 31.719 31.700 0.027 0.000 0.782 528 E N -0.256 119.974 120.200 0.049 0.000 2.274 528 E HA -0.033 4.363 4.350 0.077 0.000 0.194 528 E C 1.982 178.608 176.600 0.044 0.000 0.996 528 E CA 0.447 56.882 56.400 0.058 0.000 0.840 528 E CB -0.423 29.340 29.700 0.105 0.000 0.772 528 E HN 0.304 nan 8.360 nan 0.000 0.491 529 L N 1.237 122.480 121.223 0.033 0.000 2.313 529 L HA -0.033 4.353 4.340 0.077 0.000 0.214 529 L C 0.779 177.659 176.870 0.017 0.000 1.119 529 L CA 0.386 55.240 54.840 0.022 0.000 0.809 529 L CB -0.203 41.866 42.059 0.017 0.000 0.933 529 L HN 0.049 nan 8.230 nan 0.000 0.449 530 E N 1.372 121.582 120.200 0.017 0.000 2.360 530 E HA 0.371 4.767 4.350 0.077 0.000 0.269 530 E C 0.530 177.137 176.600 0.012 0.000 1.022 530 E CA 0.497 56.905 56.400 0.012 0.000 0.887 530 E CB 0.859 30.566 29.700 0.012 0.000 0.990 530 E HN 0.218 nan 8.360 nan 0.000 0.426 531 G N 2.032 110.836 108.800 0.007 0.000 2.795 531 G HA2 -0.244 3.763 3.960 0.077 0.000 0.664 531 G HA3 -0.244 3.763 3.960 0.077 0.000 0.664 531 G C 0.341 175.244 174.900 0.005 0.000 1.381 531 G CA -0.168 44.935 45.100 0.006 0.000 0.853 531 G HN 0.410 nan 8.290 nan 0.000 0.545 532 S N -0.229 115.472 115.700 0.003 0.000 2.548 532 S HA 0.291 4.807 4.470 0.077 0.000 0.215 532 S C 1.544 176.148 174.600 0.006 0.000 0.976 532 S CA 0.815 59.016 58.200 0.001 0.000 0.908 532 S CB -0.047 63.151 63.200 -0.003 0.000 0.781 532 S HN 1.692 nan 8.310 nan 0.000 0.519 533 S N 2.087 117.793 115.700 0.010 0.000 2.564 533 S HA 0.628 5.144 4.470 0.077 0.000 0.278 533 S C 0.245 174.857 174.600 0.020 0.000 1.333 533 S CA -0.763 57.444 58.200 0.013 0.000 1.048 533 S CB 0.823 64.030 63.200 0.012 0.000 0.900 533 S HN 0.360 nan 8.310 nan 0.000 0.505 534 A N 2.582 125.415 122.820 0.021 0.000 2.445 534 A HA 0.510 4.876 4.320 0.077 0.000 0.242 534 A C -0.021 177.585 177.584 0.036 0.000 1.075 534 A CA -0.618 51.437 52.037 0.029 0.000 0.777 534 A CB -0.017 18.999 19.000 0.027 0.000 1.013 534 A HN 0.896 nan 8.150 nan 0.000 0.493 535 V N 2.294 122.239 119.914 0.052 0.000 2.398 535 V HA 0.440 4.606 4.120 0.077 0.000 0.286 535 V C 1.072 177.210 176.094 0.074 0.000 1.026 535 V CA 0.510 62.853 62.300 0.072 0.000 0.868 535 V CB 1.386 33.278 31.823 0.115 0.000 0.982 535 V HN 1.138 nan 8.190 nan 0.000 0.443 536 T N -1.603 112.979 114.554 0.047 0.000 3.091 536 T HA 0.009 4.405 4.350 0.077 0.000 0.277 536 T C 1.413 176.115 174.700 0.003 0.000 0.996 536 T CA 0.437 62.557 62.100 0.033 0.000 0.897 536 T CB 0.219 69.096 68.868 0.016 0.000 1.109 536 T HN 0.632 nan 8.240 nan 0.000 0.534 537 S N 0.570 116.244 115.700 -0.043 0.000 2.489 537 S HA 0.076 4.592 4.470 0.077 0.000 0.228 537 S C 0.754 175.176 174.600 -0.297 0.000 0.995 537 S CA -0.164 57.919 58.200 -0.196 0.000 0.934 537 S CB -0.528 62.491 63.200 -0.302 0.000 0.771 537 S HN 0.686 nan 8.310 nan 0.000 0.522 538 H N 1.765 120.841 119.070 0.009 0.000 2.915 538 H HA 0.323 4.923 4.556 0.074 0.000 0.298 538 H C -0.271 175.061 175.328 0.007 0.000 1.516 538 H CA -0.493 55.560 56.048 0.008 0.000 1.480 538 H CB 0.131 29.899 29.762 0.009 0.000 1.847 538 H HN 0.398 nan 8.280 nan 0.000 0.806 539 D N -0.215 120.281 120.400 0.160 0.000 2.390 539 D HA -0.092 4.595 4.640 0.077 0.000 0.236 539 D C 1.013 177.356 176.300 0.072 0.000 1.189 539 D CA 0.358 54.408 54.000 0.082 0.000 0.887 539 D CB 0.906 41.741 40.800 0.058 0.000 1.198 539 D HN 0.551 nan 8.370 nan 0.000 0.444 540 S N 0.514 116.240 115.700 0.043 0.000 2.419 540 S HA -0.219 4.297 4.470 0.077 0.000 0.233 540 S C 1.975 176.590 174.600 0.024 0.000 1.016 540 S CA 1.186 59.406 58.200 0.034 0.000 0.974 540 S CB -0.263 62.950 63.200 0.022 0.000 0.786 540 S HN 0.578 nan 8.310 nan 0.000 0.492 541 S N 1.612 117.320 115.700 0.013 0.000 2.338 541 S HA -0.118 4.398 4.470 0.077 0.000 0.218 541 S C 2.003 176.596 174.600 -0.011 0.000 1.032 541 S CA 1.870 60.067 58.200 -0.005 0.000 0.999 541 S CB -1.375 61.816 63.200 -0.015 0.000 0.905 541 S HN 0.668 nan 8.310 nan 0.000 0.439 542 T N 3.104 117.647 114.554 -0.018 0.000 2.653 542 T HA -0.128 4.268 4.350 0.077 0.000 0.268 542 T C 1.750 176.432 174.700 -0.031 0.000 1.035 542 T CA 1.766 63.824 62.100 -0.070 0.000 1.154 542 T CB -0.771 68.001 68.868 -0.160 0.000 0.862 542 T HN 0.432 nan 8.240 nan 0.000 0.441 543 N N 0.987 119.712 118.700 0.041 0.000 2.069 543 N HA -0.060 4.727 4.740 0.077 0.000 0.191 543 N C 2.187 177.729 175.510 0.053 0.000 1.031 543 N CA 1.478 54.571 53.050 0.072 0.000 0.852 543 N CB -0.977 37.560 38.487 0.083 0.000 1.018 543 N HN 0.519 nan 8.380 nan 0.000 0.423 544 G N 1.012 109.836 108.800 0.040 0.000 2.408 544 G HA2 -0.126 3.880 3.960 0.077 0.000 0.217 544 G HA3 -0.126 3.880 3.960 0.077 0.000 0.217 544 G C 1.694 176.634 174.900 0.067 0.000 1.150 544 G CA 0.304 45.431 45.100 0.046 0.000 0.776 544 G HN 0.226 nan 8.290 nan 0.000 0.542 545 L N 0.016 121.261 121.223 0.037 0.000 2.083 545 L HA 0.017 4.403 4.340 0.077 0.000 0.209 545 L C 2.786 179.720 176.870 0.108 0.000 1.083 545 L CA 0.602 55.476 54.840 0.057 0.000 0.752 545 L CB -0.301 41.759 42.059 0.002 0.000 0.899 545 L HN 0.182 nan 8.230 nan 0.000 0.433 546 I N -0.994 119.613 120.570 0.062 0.000 2.252 546 I HA -0.259 3.957 4.170 0.077 0.000 0.245 546 I C 2.613 178.775 176.117 0.076 0.000 1.102 546 I CA 1.014 62.348 61.300 0.057 0.000 1.385 546 I CB -0.220 37.802 38.000 0.037 0.000 1.064 546 I HN 0.138 nan 8.210 nan 0.000 0.414 547 S N 0.559 116.311 115.700 0.087 0.000 2.370 547 S HA -0.211 4.305 4.470 0.077 0.000 0.226 547 S C 1.889 176.551 174.600 0.103 0.000 1.033 547 S CA 1.474 59.724 58.200 0.082 0.000 1.011 547 S CB -0.444 62.805 63.200 0.082 0.000 0.852 547 S HN 0.391 nan 8.310 nan 0.000 0.457 548 F N 1.993 121.943 119.950 -0.001 0.000 2.102 548 F HA -0.096 4.476 4.527 0.076 0.000 0.298 548 F C 1.874 177.673 175.800 -0.002 0.000 1.105 548 F CA 1.157 59.155 58.000 -0.002 0.000 1.239 548 F CB -0.426 38.571 39.000 -0.005 0.000 0.991 548 F HN 0.113 nan 8.300 nan 0.000 0.474 549 I N 0.313 120.936 120.570 0.088 0.000 2.163 549 I HA -0.359 3.857 4.170 0.077 0.000 0.243 549 I C 2.370 178.439 176.117 -0.080 0.000 1.085 549 I CA 1.687 62.980 61.300 -0.012 0.000 1.347 549 I CB -0.480 37.550 38.000 0.050 0.000 1.044 549 I HN 0.084 nan 8.210 nan 0.000 0.408 550 K N 0.105 120.480 120.400 -0.042 0.000 2.097 550 K HA -0.242 4.124 4.320 0.077 0.000 0.205 550 K C 2.140 178.691 176.600 -0.081 0.000 1.050 550 K CA 1.371 57.632 56.287 -0.044 0.000 0.938 550 K CB -0.202 32.291 32.500 -0.012 0.000 0.718 550 K HN 0.428 nan 8.250 nan 0.000 0.442 551 Q N 0.512 120.241 119.800 -0.119 0.000 2.172 551 Q HA -0.155 4.231 4.340 0.077 0.000 0.200 551 Q C 1.633 177.507 176.000 -0.210 0.000 0.964 551 Q CA 1.154 56.870 55.803 -0.144 0.000 0.855 551 Q CB 0.314 28.971 28.738 -0.135 0.000 0.918 551 Q HN 0.179 nan 8.270 nan 0.000 0.444 552 Q N 0.123 119.728 119.800 -0.324 0.000 2.396 552 Q HA 0.011 4.397 4.340 0.077 0.000 0.209 552 Q C 1.813 177.697 176.000 -0.193 0.000 0.906 552 Q CA 0.677 56.273 55.803 -0.346 0.000 0.927 552 Q CB 0.342 28.693 28.738 -0.645 0.000 1.069 552 Q HN 0.560 nan 8.270 nan 0.000 0.523 553 R N 0.049 120.464 120.500 -0.141 0.000 2.236 553 R HA 0.004 4.390 4.340 0.077 0.000 0.208 553 R C 0.301 176.566 176.300 -0.059 0.000 1.036 553 R CA 1.107 57.157 56.100 -0.083 0.000 1.001 553 R CB 0.115 30.380 30.300 -0.057 0.000 0.896 553 R HN -0.036 nan 8.270 nan 0.000 0.464 554 D N 0.987 121.350 120.400 -0.062 0.000 2.360 554 D HA 0.035 4.721 4.640 0.077 0.000 0.210 554 D C -0.143 176.132 176.300 -0.042 0.000 1.047 554 D CA 0.339 54.312 54.000 -0.044 0.000 0.854 554 D CB 0.517 41.294 40.800 -0.037 0.000 0.936 554 D HN 0.106 nan 8.370 nan 0.000 0.514 555 T N 1.457 115.977 114.554 -0.056 0.000 2.888 555 T HA 0.041 4.437 4.350 0.077 0.000 0.301 555 T C 0.477 175.158 174.700 -0.032 0.000 1.001 555 T CA 0.074 62.146 62.100 -0.047 0.000 1.147 555 T CB 1.445 70.276 68.868 -0.062 0.000 0.931 555 T HN -0.118 nan 8.240 nan 0.000 0.541 556 K N 3.612 123.998 120.400 -0.022 0.000 2.276 556 K HA 0.512 4.878 4.320 0.077 0.000 0.285 556 K C -0.639 175.954 176.600 -0.011 0.000 1.062 556 K CA -0.294 55.984 56.287 -0.014 0.000 0.918 556 K CB 0.258 32.751 32.500 -0.010 0.000 1.055 556 K HN 0.502 nan 8.250 nan 0.000 0.477 557 L N 0.000 121.218 121.223 -0.008 0.000 2.949 557 L HA 0.000 4.386 4.340 0.077 0.000 0.249 557 L CA 0.000 54.838 54.840 -0.003 0.000 0.813 557 L CB 0.000 42.058 42.059 -0.002 0.000 0.961 557 L HN 0.000 nan 8.230 nan 0.000 0.502