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 3dbh_1_F DATA FIRST_RESID 11 DATA SEQUENCE LDWEGRWNHV KKFLERSGPF THPDFEPSTE SLQFLLDTCK VLVIGAGGLG DATA SEQUENCE CELLKNLALS GFRQIHVIDM DTIDVSNLNR QFLFRPKDIG RPKAEVAAEF DATA SEQUENCE LNDRVPNCNV VPHFNKIQDF NDTFYRQFHI IVCGLDSIIA RRWINGMLIS DATA SEQUENCE LLNYEDGVLD PSSIVPLIDG GTEGFKGNAA VILPGMTACI ECTLELYPPQ DATA SEQUENCE VNFPMATIAS MPRLPEHCIE YVRMLQWPKE QPFGEGVPLD GDDPEHIQWI DATA SEQUENCE FQKSLERASQ YNIRGVTYRL TQGVVKRIIP AVASTNAVIA AVCATEVFKI DATA SEQUENCE ATSAYIPLNN YLVFNDVDGL YTYTFEAERK ENCPACSQLP QNIQFSPSAK DATA SEQUENCE LQEVLDYLTN SASLQMKSPA ITATLEGKNR TLYLQSVTSI EERTRPNLSK DATA SEQUENCE TLKELGLVDG QELAVADVTT PQTVLFKLHF T 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.940 176.870 0.116 0.000 1.165 11 L CA 0.000 54.897 54.840 0.096 0.000 0.813 11 L CB 0.000 42.106 42.059 0.078 0.000 0.961 12 D N -0.915 119.549 120.400 0.106 0.000 2.609 12 D HA 0.480 5.120 4.640 -0.000 0.000 0.239 12 D C -1.888 174.444 176.300 0.054 0.000 1.229 12 D CA -0.058 53.953 54.000 0.018 0.000 0.808 12 D CB 2.391 43.198 40.800 0.012 0.000 1.448 12 D HN 0.222 nan 8.370 nan 0.000 0.433 13 W N 0.084 121.376 121.300 -0.013 0.000 2.578 13 W HA 0.624 5.284 4.660 -0.000 0.000 0.364 13 W C 0.055 176.560 176.519 -0.023 0.000 1.144 13 W CA -0.738 56.594 57.345 -0.021 0.000 1.242 13 W CB 0.138 29.572 29.460 -0.044 0.000 1.382 13 W HN -0.045 nan 8.180 nan 0.000 0.625 14 E N 1.083 121.447 120.200 0.273 0.000 2.498 14 E HA 0.218 4.567 4.350 -0.000 0.000 0.252 14 E C 1.068 177.768 176.600 0.168 0.000 1.025 14 E CA 1.821 58.319 56.400 0.163 0.000 0.938 14 E CB 0.389 30.179 29.700 0.149 0.000 0.947 14 E HN 0.968 nan 8.360 nan 0.000 0.478 15 G N 4.211 113.036 108.800 0.041 0.000 2.179 15 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.260 15 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.260 15 G C 1.187 176.055 174.900 -0.053 0.000 0.977 15 G CA 0.633 45.755 45.100 0.036 0.000 0.641 15 G HN 0.576 nan 8.290 nan 0.000 0.533 16 R N -0.485 119.794 120.500 -0.368 0.000 2.103 16 R HA -0.096 4.244 4.340 -0.000 0.000 0.242 16 R C 1.793 177.683 176.300 -0.684 0.000 1.142 16 R CA 2.175 57.757 56.100 -0.863 0.000 0.960 16 R CB -0.255 28.865 30.300 -1.968 0.000 0.858 16 R HN 0.632 nan 8.270 nan 0.000 0.439 17 W N -0.003 121.213 121.300 -0.140 0.000 3.005 17 W HA 0.253 4.913 4.660 -0.000 0.000 0.374 17 W C 1.090 177.616 176.519 0.011 0.000 1.076 17 W CA -0.982 56.336 57.345 -0.046 0.000 1.794 17 W CB 0.343 29.760 29.460 -0.070 0.000 1.113 17 W HN 0.103 nan 8.180 nan 0.000 0.584 18 N N 0.611 119.406 118.700 0.158 0.000 2.096 18 N HA -0.254 4.486 4.740 -0.000 0.000 0.195 18 N C 0.981 176.485 175.510 -0.010 0.000 1.017 18 N CA 1.813 54.881 53.050 0.031 0.000 0.870 18 N CB -0.716 37.722 38.487 -0.080 0.000 1.024 18 N HN 0.330 nan 8.380 nan 0.000 0.434 19 H N -1.161 117.975 119.070 0.109 0.000 2.543 19 H HA 0.066 4.622 4.556 -0.000 0.000 0.286 19 H C 1.600 177.063 175.328 0.225 0.000 1.037 19 H CA 0.667 56.791 56.048 0.126 0.000 1.250 19 H CB 0.297 30.131 29.762 0.120 0.000 1.373 19 H HN 0.037 nan 8.280 nan 0.000 0.580 20 V N -0.503 119.615 119.914 0.340 0.000 2.806 20 V HA -0.063 4.057 4.120 -0.000 0.000 0.239 20 V C 1.933 178.217 176.094 0.316 0.000 1.113 20 V CA 0.547 63.071 62.300 0.375 0.000 1.137 20 V CB 0.090 32.097 31.823 0.307 0.000 0.865 20 V HN 0.219 nan 8.190 nan 0.000 0.482 21 K N 0.432 120.949 120.400 0.195 0.000 2.127 21 K HA -0.240 4.080 4.320 -0.000 0.000 0.208 21 K C 2.197 178.830 176.600 0.054 0.000 1.047 21 K CA 1.330 57.689 56.287 0.119 0.000 0.927 21 K CB -0.190 32.357 32.500 0.079 0.000 0.716 21 K HN 0.264 nan 8.250 nan 0.000 0.450 22 K N 0.379 120.729 120.400 -0.084 0.000 2.059 22 K HA -0.167 4.153 4.320 -0.000 0.000 0.212 22 K C 2.055 178.511 176.600 -0.240 0.000 1.050 22 K CA 1.721 57.836 56.287 -0.286 0.000 0.927 22 K CB -0.507 31.611 32.500 -0.635 0.000 0.714 22 K HN 0.219 nan 8.250 nan 0.000 0.447 23 F N 0.676 120.711 119.950 0.141 0.000 2.259 23 F HA -0.019 4.508 4.527 -0.000 0.000 0.298 23 F C 2.226 178.146 175.800 0.200 0.000 1.088 23 F CA 0.494 58.591 58.000 0.162 0.000 1.358 23 F CB -0.208 38.961 39.000 0.281 0.000 1.040 23 F HN -0.112 nan 8.300 nan 0.000 0.505 24 L N -0.593 120.880 121.223 0.416 0.000 2.354 24 L HA 0.023 4.363 4.340 -0.000 0.000 0.212 24 L C 1.757 178.809 176.870 0.304 0.000 1.091 24 L CA 0.796 55.877 54.840 0.402 0.000 0.828 24 L CB -0.370 41.845 42.059 0.260 0.000 0.973 24 L HN 0.129 nan 8.230 nan 0.000 0.461 25 E N 0.398 120.713 120.200 0.192 0.000 2.442 25 E HA 0.066 4.416 4.350 -0.000 0.000 0.195 25 E C 0.179 176.857 176.600 0.130 0.000 1.030 25 E CA 0.109 56.576 56.400 0.113 0.000 0.869 25 E CB 0.454 30.187 29.700 0.055 0.000 0.857 25 E HN 0.399 nan 8.360 nan 0.000 0.505 26 R N 1.094 121.699 120.500 0.174 0.000 2.562 26 R HA 0.285 4.625 4.340 -0.000 0.000 0.298 26 R C -0.238 176.191 176.300 0.215 0.000 0.961 26 R CA -0.415 55.767 56.100 0.137 0.000 0.881 26 R CB 1.837 32.161 30.300 0.040 0.000 1.159 26 R HN -0.034 nan 8.270 nan 0.000 0.450 27 S N 0.533 116.360 115.700 0.212 0.000 2.652 27 S HA 0.819 5.289 4.470 -0.000 0.000 0.270 27 S C 0.282 174.914 174.600 0.053 0.000 1.243 27 S CA -0.475 57.864 58.200 0.232 0.000 0.999 27 S CB 1.847 65.180 63.200 0.222 0.000 0.973 27 S HN 0.761 nan 8.310 nan 0.000 0.544 28 G N -0.167 108.623 108.800 -0.017 0.000 2.623 28 G HA2 0.554 4.514 3.960 -0.000 0.000 0.290 28 G HA3 0.554 4.514 3.960 -0.000 0.000 0.290 28 G C -2.803 172.077 174.900 -0.034 0.000 1.437 28 G CA -1.112 43.985 45.100 -0.006 0.000 0.798 28 G HN 0.464 nan 8.290 nan 0.000 0.488 29 P HA 0.041 nan 4.420 nan 0.000 0.216 29 P C 0.991 178.090 177.300 -0.335 0.000 1.153 29 P CA 0.961 63.925 63.100 -0.226 0.000 0.848 29 P CB 0.052 31.543 31.700 -0.348 0.000 0.787 30 F N -1.735 118.226 119.950 0.019 0.000 2.731 30 F HA 0.146 4.673 4.527 -0.000 0.000 0.304 30 F C 1.402 177.175 175.800 -0.044 0.000 1.133 30 F CA 0.130 58.168 58.000 0.064 0.000 1.380 30 F CB -1.131 38.007 39.000 0.230 0.000 1.079 30 F HN -0.204 nan 8.300 nan 0.000 0.550 31 T N -0.721 113.778 114.554 -0.091 0.000 2.748 31 T HA -0.036 4.314 4.350 -0.000 0.000 0.304 31 T C -0.277 174.400 174.700 -0.039 0.000 1.041 31 T CA -0.099 61.843 62.100 -0.264 0.000 1.033 31 T CB 0.267 68.936 68.868 -0.332 0.000 0.995 31 T HN 0.362 nan 8.240 nan 0.000 0.536 32 H N 3.190 122.212 119.070 -0.081 0.000 2.525 32 H HA 0.316 4.872 4.556 -0.000 0.000 0.339 32 H C -1.331 174.040 175.328 0.072 0.000 1.109 32 H CA -1.665 54.398 56.048 0.026 0.000 1.352 32 H CB 1.320 31.111 29.762 0.049 0.000 1.461 32 H HN 0.295 nan 8.280 nan 0.000 0.533 33 P HA -0.213 nan 4.420 nan 0.000 0.216 33 P C 0.448 177.823 177.300 0.125 0.000 1.150 33 P CA 1.361 64.401 63.100 -0.101 0.000 0.843 33 P CB 0.381 31.944 31.700 -0.228 0.000 0.787 34 D N -1.289 119.360 120.400 0.415 0.000 2.371 34 D HA -0.027 4.613 4.640 -0.000 0.000 0.221 34 D C 0.740 177.164 176.300 0.206 0.000 0.986 34 D CA 0.077 54.253 54.000 0.294 0.000 0.899 34 D CB -0.657 40.308 40.800 0.275 0.000 0.902 34 D HN 0.157 nan 8.370 nan 0.000 0.530 35 F N 1.948 121.977 119.950 0.133 0.000 2.595 35 F HA 0.048 4.575 4.527 -0.000 0.000 0.359 35 F C 0.485 176.284 175.800 -0.003 0.000 1.147 35 F CA 0.283 58.302 58.000 0.031 0.000 1.341 35 F CB 0.597 39.609 39.000 0.019 0.000 1.104 35 F HN -0.301 nan 8.300 nan 0.000 0.603 36 E N 6.505 126.030 120.200 -1.125 0.000 2.361 36 E HA 0.211 4.561 4.350 -0.000 0.000 0.270 36 E C -2.595 173.340 176.600 -1.109 0.000 0.911 36 E CA -1.987 53.928 56.400 -0.808 0.000 0.818 36 E CB 1.443 30.891 29.700 -0.420 0.000 1.332 36 E HN 0.321 nan 8.360 nan 0.000 0.402 37 P HA 0.034 nan 4.420 nan 0.000 0.264 37 P C -0.270 176.891 177.300 -0.231 0.000 1.193 37 P CA 0.238 63.159 63.100 -0.299 0.000 0.763 37 P CB 0.959 32.676 31.700 0.027 0.000 0.810 38 S N 1.327 116.935 115.700 -0.153 0.000 2.547 38 S HA 0.303 4.773 4.470 -0.000 0.000 0.270 38 S C 0.425 174.991 174.600 -0.057 0.000 1.150 38 S CA -0.403 57.723 58.200 -0.122 0.000 0.850 38 S CB 1.429 64.518 63.200 -0.186 0.000 1.118 38 S HN 0.387 nan 8.310 nan 0.000 0.461 39 T N 1.482 116.006 114.554 -0.051 0.000 3.086 39 T HA 0.306 4.656 4.350 -0.000 0.000 0.250 39 T C 0.913 175.594 174.700 -0.032 0.000 1.074 39 T CA 0.574 62.659 62.100 -0.026 0.000 0.988 39 T CB -0.135 68.721 68.868 -0.021 0.000 0.988 39 T HN 0.626 nan 8.240 nan 0.000 0.530 40 E N -0.550 119.616 120.200 -0.057 0.000 2.526 40 E HA 0.160 4.510 4.350 -0.000 0.000 0.208 40 E C 1.776 178.349 176.600 -0.044 0.000 0.997 40 E CA -0.055 56.315 56.400 -0.051 0.000 0.961 40 E CB 0.453 30.106 29.700 -0.078 0.000 1.030 40 E HN 0.313 nan 8.360 nan 0.000 0.483 41 S N 1.134 116.797 115.700 -0.061 0.000 2.359 41 S HA -0.187 4.283 4.470 -0.000 0.000 0.224 41 S C 1.822 176.419 174.600 -0.005 0.000 1.035 41 S CA 0.895 59.072 58.200 -0.039 0.000 1.018 41 S CB -0.194 62.975 63.200 -0.050 0.000 0.876 41 S HN 0.264 nan 8.310 nan 0.000 0.448 42 L N 1.787 122.982 121.223 -0.046 0.000 2.079 42 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 42 L C 2.305 179.070 176.870 -0.174 0.000 1.081 42 L CA 1.819 56.577 54.840 -0.138 0.000 0.752 42 L CB -0.769 41.195 42.059 -0.158 0.000 0.896 42 L HN 0.152 nan 8.230 nan 0.000 0.433 43 Q N -1.179 118.573 119.800 -0.080 0.000 2.079 43 Q HA -0.206 4.134 4.340 -0.000 0.000 0.200 43 Q C 2.062 178.048 176.000 -0.025 0.000 0.974 43 Q CA 1.845 57.612 55.803 -0.061 0.000 0.840 43 Q CB -0.611 28.126 28.738 -0.001 0.000 0.898 43 Q HN 0.530 nan 8.270 nan 0.000 0.430 44 F N -0.186 119.683 119.950 -0.135 0.000 2.161 44 F HA -0.177 4.350 4.527 -0.000 0.000 0.300 44 F C 1.801 177.506 175.800 -0.159 0.000 1.089 44 F CA 1.170 59.098 58.000 -0.121 0.000 1.282 44 F CB -0.375 38.562 39.000 -0.105 0.000 1.010 44 F HN 0.253 nan 8.300 nan 0.000 0.485 45 L N -0.296 120.856 121.223 -0.119 0.000 2.027 45 L HA -0.140 4.200 4.340 -0.000 0.000 0.206 45 L C 2.124 178.779 176.870 -0.359 0.000 1.074 45 L CA 1.707 56.371 54.840 -0.293 0.000 0.745 45 L CB -0.800 41.032 42.059 -0.379 0.000 0.898 45 L HN 0.134 nan 8.230 nan 0.000 0.433 46 L N -0.496 120.527 121.223 -0.334 0.000 2.046 46 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 46 L C 2.203 178.960 176.870 -0.188 0.000 1.077 46 L CA 1.392 56.063 54.840 -0.282 0.000 0.747 46 L CB -0.712 41.179 42.059 -0.280 0.000 0.896 46 L HN 0.340 nan 8.230 nan 0.000 0.432 47 D N -1.170 119.109 120.400 -0.201 0.000 2.106 47 D HA -0.127 4.513 4.640 -0.000 0.000 0.203 47 D C 2.205 178.361 176.300 -0.239 0.000 0.977 47 D CA 2.126 56.016 54.000 -0.185 0.000 0.844 47 D CB -0.275 40.421 40.800 -0.173 0.000 1.002 47 D HN 0.354 nan 8.370 nan 0.000 0.461 48 T N -2.036 112.284 114.554 -0.390 0.000 3.040 48 T HA 0.008 4.358 4.350 -0.000 0.000 0.252 48 T C 1.373 175.801 174.700 -0.453 0.000 1.064 48 T CA -0.200 61.651 62.100 -0.415 0.000 1.110 48 T CB -0.627 67.869 68.868 -0.620 0.000 0.921 48 T HN 0.046 nan 8.240 nan 0.000 0.480 49 C N 4.441 123.483 119.300 -0.431 0.000 2.709 49 C HA 0.252 4.712 4.460 -0.000 0.000 0.388 49 C C 0.520 175.304 174.990 -0.343 0.000 1.307 49 C CA -0.889 57.834 59.018 -0.492 0.000 1.466 49 C CB -1.797 25.860 27.740 -0.139 0.000 2.218 49 C HN 0.355 nan 8.230 nan 0.000 0.599 50 K N 5.124 125.153 120.400 -0.619 0.000 2.316 50 K HA 0.407 4.727 4.320 -0.000 0.000 0.289 50 K C -0.365 176.291 176.600 0.093 0.000 1.070 50 K CA -0.146 56.066 56.287 -0.125 0.000 0.928 50 K CB 1.109 33.561 32.500 -0.080 0.000 1.039 50 K HN 0.456 nan 8.250 nan 0.000 0.480 51 V N 4.144 124.104 119.914 0.077 0.000 2.628 51 V HA 0.380 4.500 4.120 -0.000 0.000 0.306 51 V C -0.619 175.308 176.094 -0.279 0.000 1.045 51 V CA -1.128 61.122 62.300 -0.083 0.000 0.905 51 V CB 1.850 33.524 31.823 -0.249 0.000 0.997 51 V HN 0.557 nan 8.190 nan 0.000 0.436 52 L N 4.851 125.732 121.223 -0.569 0.000 2.346 52 L HA 0.769 5.109 4.340 -0.000 0.000 0.276 52 L C -0.743 175.914 176.870 -0.356 0.000 1.006 52 L CA -0.142 54.225 54.840 -0.787 0.000 0.817 52 L CB 2.025 43.175 42.059 -1.515 0.000 1.272 52 L HN 0.415 nan 8.230 nan 0.000 0.421 53 V N 6.669 126.463 119.914 -0.199 0.000 2.326 53 V HA 0.418 4.538 4.120 -0.000 0.000 0.281 53 V C 0.117 176.185 176.094 -0.043 0.000 1.015 53 V CA -0.378 61.859 62.300 -0.105 0.000 0.823 53 V CB 1.144 32.929 31.823 -0.063 0.000 1.009 53 V HN 0.618 nan 8.190 nan 0.000 0.436 54 I N 4.801 125.354 120.570 -0.029 0.000 2.352 54 I HA 0.661 4.831 4.170 -0.000 0.000 0.290 54 I C 0.895 177.031 176.117 0.032 0.000 1.036 54 I CA 0.287 61.605 61.300 0.031 0.000 1.336 54 I CB 0.965 38.998 38.000 0.055 0.000 1.407 54 I HN 0.824 nan 8.210 nan 0.000 0.497 55 G N 4.601 113.433 108.800 0.054 0.000 2.907 55 G HA2 0.172 4.132 3.960 -0.000 0.000 0.686 55 G HA3 0.172 4.132 3.960 -0.000 0.000 0.686 55 G C -0.518 174.405 174.900 0.039 0.000 1.115 55 G CA -0.337 44.791 45.100 0.047 0.000 0.760 55 G HN 1.055 nan 8.290 nan 0.000 0.620 56 A N 1.036 123.888 122.820 0.055 0.000 3.045 56 A HA 0.827 5.147 4.320 -0.000 0.000 0.244 56 A C 0.652 178.299 177.584 0.105 0.000 0.917 56 A CA 0.816 52.889 52.037 0.059 0.000 1.075 56 A CB 0.272 19.327 19.000 0.092 0.000 1.202 56 A HN 2.431 nan 8.150 nan 0.000 0.486 57 G N -0.717 108.116 108.800 0.056 0.000 3.025 57 G HA2 0.609 4.569 3.960 -0.000 0.000 0.305 57 G HA3 0.609 4.569 3.960 -0.000 0.000 0.305 57 G C 0.443 175.349 174.900 0.010 0.000 1.568 57 G CA 0.473 45.623 45.100 0.083 0.000 0.916 57 G HN 1.659 nan 8.290 nan 0.000 0.502 58 G N 1.112 109.876 108.800 -0.060 0.000 2.979 58 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.238 58 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.238 58 G C 1.292 176.172 174.900 -0.034 0.000 1.805 58 G CA 0.131 45.210 45.100 -0.036 0.000 1.389 58 G HN 0.782 nan 8.290 nan 0.000 0.517 59 L N 2.020 123.230 121.223 -0.021 0.000 2.046 59 L HA 0.077 4.417 4.340 -0.000 0.000 0.208 59 L C 3.254 180.102 176.870 -0.036 0.000 1.077 59 L CA 2.117 56.943 54.840 -0.023 0.000 0.747 59 L CB -0.873 41.173 42.059 -0.020 0.000 0.896 59 L HN 0.656 nan 8.230 nan 0.000 0.432 60 G N -0.708 108.067 108.800 -0.041 0.000 2.491 60 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 60 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 60 G C 1.640 176.479 174.900 -0.103 0.000 1.180 60 G CA 1.073 46.142 45.100 -0.051 0.000 0.774 60 G HN 0.411 nan 8.290 nan 0.000 0.562 61 C N -0.054 119.125 119.300 -0.202 0.000 2.413 61 C HA -0.003 4.457 4.460 -0.000 0.000 0.277 61 C C 2.750 177.622 174.990 -0.196 0.000 1.228 61 C CA 1.218 59.982 59.018 -0.422 0.000 1.731 61 C CB -0.726 26.485 27.740 -0.882 0.000 2.042 61 C HN 0.602 nan 8.230 nan 0.000 0.468 62 E N 0.775 120.986 120.200 0.019 0.000 2.085 62 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 62 E C 1.967 178.607 176.600 0.068 0.000 0.994 62 E CA 1.217 57.727 56.400 0.184 0.000 0.801 62 E CB -0.406 29.364 29.700 0.116 0.000 0.743 62 E HN 0.594 nan 8.360 nan 0.000 0.453 63 L N -0.277 120.946 121.223 0.000 0.000 2.046 63 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 63 L C 2.481 179.344 176.870 -0.010 0.000 1.077 63 L CA 0.923 55.749 54.840 -0.023 0.000 0.747 63 L CB -0.426 41.602 42.059 -0.050 0.000 0.896 63 L HN 0.209 nan 8.230 nan 0.000 0.432 64 L N -0.168 121.048 121.223 -0.011 0.000 2.017 64 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 64 L C 2.759 179.669 176.870 0.067 0.000 1.073 64 L CA 1.398 56.246 54.840 0.012 0.000 0.745 64 L CB -0.481 41.568 42.059 -0.017 0.000 0.894 64 L HN 0.274 nan 8.230 nan 0.000 0.432 65 K N 0.261 120.718 120.400 0.096 0.000 1.991 65 K HA -0.225 4.095 4.320 -0.000 0.000 0.212 65 K C 1.971 178.639 176.600 0.113 0.000 1.049 65 K CA 1.927 58.299 56.287 0.141 0.000 0.932 65 K CB -0.062 32.565 32.500 0.212 0.000 0.717 65 K HN 0.238 nan 8.250 nan 0.000 0.441 66 N N 1.126 119.874 118.700 0.080 0.000 2.036 66 N HA -0.203 4.537 4.740 -0.000 0.000 0.195 66 N C 1.985 177.566 175.510 0.119 0.000 1.037 66 N CA 1.582 54.670 53.050 0.065 0.000 0.855 66 N CB -0.549 37.950 38.487 0.020 0.000 1.033 66 N HN 0.209 nan 8.380 nan 0.000 0.423 67 L N 0.701 121.983 121.223 0.099 0.000 1.989 67 L HA -0.153 4.186 4.340 -0.000 0.000 0.211 67 L C 2.488 179.566 176.870 0.346 0.000 1.071 67 L CA 1.425 56.366 54.840 0.169 0.000 0.749 67 L CB -0.647 41.376 42.059 -0.059 0.000 0.890 67 L HN 0.131 nan 8.230 nan 0.000 0.431 68 A N -0.038 122.932 122.820 0.250 0.000 1.917 68 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 68 A C 2.206 179.998 177.584 0.346 0.000 1.182 68 A CA 1.698 53.905 52.037 0.283 0.000 0.633 68 A CB -0.766 18.366 19.000 0.220 0.000 0.819 68 A HN 0.417 nan 8.150 nan 0.000 0.448 69 L N -0.535 120.857 121.223 0.282 0.000 2.492 69 L HA 0.011 4.351 4.340 -0.000 0.000 0.223 69 L C 1.880 178.967 176.870 0.362 0.000 1.132 69 L CA 0.642 55.656 54.840 0.290 0.000 0.850 69 L CB 0.007 42.154 42.059 0.147 0.000 0.966 69 L HN 0.270 nan 8.230 nan 0.000 0.454 70 S N -0.489 115.402 115.700 0.319 0.000 2.575 70 S HA 0.207 4.677 4.470 -0.000 0.000 0.215 70 S C 1.359 176.067 174.600 0.180 0.000 0.966 70 S CA 0.735 59.078 58.200 0.239 0.000 0.911 70 S CB 0.641 64.008 63.200 0.279 0.000 0.780 70 S HN 0.618 nan 8.310 nan 0.000 0.514 71 G N 0.676 109.529 108.800 0.089 0.000 2.183 71 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.168 71 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.168 71 G C -0.139 174.465 174.900 -0.493 0.000 1.008 71 G CA -0.788 44.014 45.100 -0.496 0.000 0.677 71 G HN 0.362 nan 8.290 nan 0.000 0.498 72 F N 0.022 119.965 119.950 -0.011 0.000 2.379 72 F HA 0.790 5.317 4.527 -0.000 0.000 0.332 72 F C 1.488 177.303 175.800 0.024 0.000 1.096 72 F CA -0.389 57.604 58.000 -0.011 0.000 1.105 72 F CB 1.623 40.638 39.000 0.023 0.000 1.189 72 F HN -0.029 nan 8.300 nan 0.000 0.515 73 R N -0.431 120.166 120.500 0.162 0.000 2.428 73 R HA 0.156 4.496 4.340 -0.000 0.000 0.193 73 R C -0.029 176.355 176.300 0.139 0.000 0.852 73 R CA 0.036 56.214 56.100 0.130 0.000 1.055 73 R CB 0.388 30.721 30.300 0.055 0.000 1.343 73 R HN 0.455 nan 8.270 nan 0.000 0.655 74 Q N 1.758 121.635 119.800 0.128 0.000 3.027 74 Q HA 0.251 4.591 4.340 -0.000 0.000 0.260 74 Q C -0.711 175.420 176.000 0.219 0.000 1.379 74 Q CA 0.427 56.320 55.803 0.150 0.000 1.038 74 Q CB 0.111 28.889 28.738 0.067 0.000 1.578 74 Q HN 0.363 nan 8.270 nan 0.000 0.571 75 I N 0.440 121.155 120.570 0.242 0.000 2.493 75 I HA 0.373 4.543 4.170 -0.000 0.000 0.298 75 I C 0.358 176.693 176.117 0.365 0.000 0.998 75 I CA -0.761 60.675 61.300 0.226 0.000 1.137 75 I CB 1.512 39.589 38.000 0.128 0.000 1.310 75 I HN 0.301 nan 8.210 nan 0.000 0.445 76 H N 3.669 122.777 119.070 0.065 0.000 2.679 76 H HA 0.728 5.284 4.556 -0.000 0.000 0.367 76 H C -1.228 174.134 175.328 0.055 0.000 1.162 76 H CA -1.033 55.094 56.048 0.132 0.000 1.181 76 H CB 2.897 32.837 29.762 0.296 0.000 1.693 76 H HN 0.230 nan 8.280 nan 0.000 0.538 77 V N 3.432 123.488 119.914 0.237 0.000 2.760 77 V HA 0.372 4.492 4.120 -0.000 0.000 0.309 77 V C -0.341 175.895 176.094 0.237 0.000 1.077 77 V CA -0.676 61.716 62.300 0.153 0.000 0.910 77 V CB 2.293 34.168 31.823 0.087 0.000 1.008 77 V HN 0.547 nan 8.190 nan 0.000 0.424 78 I N 3.156 123.841 120.570 0.192 0.000 2.509 78 I HA 0.663 4.833 4.170 -0.000 0.000 0.293 78 I C -1.034 175.193 176.117 0.184 0.000 1.020 78 I CA -0.140 61.304 61.300 0.240 0.000 1.088 78 I CB 2.006 40.133 38.000 0.212 0.000 1.267 78 I HN 0.651 nan 8.210 nan 0.000 0.430 79 D N 6.004 126.532 120.400 0.212 0.000 2.711 79 D HA 0.201 4.841 4.640 -0.000 0.000 0.204 79 D C -0.154 176.300 176.300 0.258 0.000 1.257 79 D CA -0.388 53.713 54.000 0.169 0.000 0.808 79 D CB 1.661 42.529 40.800 0.114 0.000 1.780 79 D HN 0.617 nan 8.370 nan 0.000 0.537 80 M N 0.124 119.849 119.600 0.209 0.000 2.502 80 M HA 0.305 4.785 4.480 -0.000 0.000 0.243 80 M C -0.004 176.493 176.300 0.329 0.000 1.130 80 M CA 0.098 55.550 55.300 0.254 0.000 1.055 80 M CB 0.329 32.960 32.600 0.052 0.000 1.457 80 M HN -0.068 nan 8.290 nan 0.000 0.488 81 D N 1.890 122.395 120.400 0.174 0.000 2.358 81 D HA 0.225 4.865 4.640 -0.000 0.000 0.244 81 D C -0.455 175.840 176.300 -0.008 0.000 1.163 81 D CA 0.229 54.277 54.000 0.081 0.000 0.945 81 D CB 1.366 42.174 40.800 0.013 0.000 1.152 81 D HN -0.010 nan 8.370 nan 0.000 0.451 82 T N 0.558 115.081 114.554 -0.053 0.000 2.829 82 T HA 0.402 4.752 4.350 -0.000 0.000 0.280 82 T C 0.475 175.053 174.700 -0.202 0.000 0.999 82 T CA -0.613 61.397 62.100 -0.150 0.000 0.983 82 T CB 0.690 69.515 68.868 -0.072 0.000 0.968 82 T HN 0.145 nan 8.240 nan 0.000 0.446 83 I N 4.008 124.381 120.570 -0.329 0.000 2.752 83 I HA 0.079 4.249 4.170 -0.000 0.000 0.289 83 I C 0.599 176.607 176.117 -0.183 0.000 1.197 83 I CA 0.506 61.585 61.300 -0.368 0.000 1.432 83 I CB 0.287 37.965 38.000 -0.536 0.000 1.359 83 I HN 0.523 nan 8.210 nan 0.000 0.571 84 D N 5.031 125.362 120.400 -0.115 0.000 2.575 84 D HA 0.112 4.752 4.640 -0.000 0.000 0.236 84 D C 0.470 176.762 176.300 -0.015 0.000 1.075 84 D CA -0.614 53.354 54.000 -0.054 0.000 0.860 84 D CB 2.437 43.213 40.800 -0.041 0.000 1.475 84 D HN 0.286 nan 8.370 nan 0.000 0.474 85 V N 3.424 123.335 119.914 -0.005 0.000 2.469 85 V HA -0.221 3.899 4.120 -0.000 0.000 0.251 85 V C 2.099 178.210 176.094 0.028 0.000 1.064 85 V CA 3.209 65.519 62.300 0.017 0.000 1.066 85 V CB -0.515 31.317 31.823 0.016 0.000 0.667 85 V HN 0.688 nan 8.190 nan 0.000 0.461 86 S N 0.149 115.860 115.700 0.019 0.000 2.507 86 S HA -0.109 4.361 4.470 -0.000 0.000 0.235 86 S C 1.422 176.041 174.600 0.032 0.000 0.988 86 S CA 1.322 59.535 58.200 0.021 0.000 0.944 86 S CB -0.692 62.512 63.200 0.007 0.000 0.762 86 S HN 0.740 nan 8.310 nan 0.000 0.526 87 N N 1.634 120.364 118.700 0.050 0.000 2.424 87 N HA 0.253 4.993 4.740 -0.000 0.000 0.178 87 N C 1.297 176.870 175.510 0.105 0.000 1.060 87 N CA 0.505 53.607 53.050 0.087 0.000 0.901 87 N CB -0.513 38.059 38.487 0.141 0.000 0.979 87 N HN 0.411 nan 8.380 nan 0.000 0.451 88 L N 1.219 122.499 121.223 0.096 0.000 2.456 88 L HA -0.053 4.287 4.340 -0.000 0.000 0.224 88 L C 1.789 178.695 176.870 0.061 0.000 1.148 88 L CA 0.590 55.484 54.840 0.090 0.000 0.825 88 L CB -0.532 41.578 42.059 0.085 0.000 0.937 88 L HN 0.285 nan 8.230 nan 0.000 0.450 89 N N 1.604 120.334 118.700 0.050 0.000 2.494 89 N HA -0.179 4.561 4.740 -0.000 0.000 0.182 89 N C 1.544 177.080 175.510 0.043 0.000 1.076 89 N CA 1.104 54.179 53.050 0.042 0.000 0.908 89 N CB 0.122 38.629 38.487 0.033 0.000 0.967 89 N HN 0.552 nan 8.380 nan 0.000 0.449 90 R N -1.605 118.921 120.500 0.043 0.000 2.702 90 R HA 0.209 4.549 4.340 -0.000 0.000 0.223 90 R C 0.011 176.335 176.300 0.041 0.000 0.953 90 R CA -0.293 55.838 56.100 0.052 0.000 1.068 90 R CB -0.173 30.148 30.300 0.034 0.000 1.600 90 R HN -0.028 nan 8.270 nan 0.000 0.602 91 Q N 2.287 122.054 119.800 -0.054 0.000 2.844 91 Q HA 0.158 4.498 4.340 -0.000 0.000 0.235 91 Q C -0.230 175.437 176.000 -0.556 0.000 1.336 91 Q CA -0.407 55.189 55.803 -0.344 0.000 1.026 91 Q CB 0.176 28.780 28.738 -0.224 0.000 1.513 91 Q HN 0.436 nan 8.270 nan 0.000 0.577 92 F N -1.219 118.499 119.950 -0.385 0.000 2.605 92 F HA -0.082 4.445 4.527 -0.000 0.000 0.296 92 F C 0.459 175.910 175.800 -0.581 0.000 1.146 92 F CA 0.645 58.424 58.000 -0.369 0.000 1.478 92 F CB -0.200 38.629 39.000 -0.285 0.000 1.107 92 F HN 0.297 nan 8.300 nan 0.000 0.600 93 L N -0.567 119.872 121.223 -1.307 0.000 2.607 93 L HA 0.253 4.593 4.340 -0.000 0.000 0.228 93 L C -0.282 176.320 176.870 -0.448 0.000 1.123 93 L CA -0.063 54.044 54.840 -1.222 0.000 0.890 93 L CB -0.260 41.043 42.059 -1.259 0.000 1.103 93 L HN 0.073 nan 8.230 nan 0.000 0.468 94 F N -0.002 119.849 119.950 -0.165 0.000 2.482 94 F HA 0.511 5.038 4.527 -0.000 0.000 0.331 94 F C 0.622 176.431 175.800 0.015 0.000 1.115 94 F CA -1.263 56.711 58.000 -0.044 0.000 0.955 94 F CB 1.278 40.232 39.000 -0.075 0.000 1.136 94 F HN -0.180 nan 8.300 nan 0.000 0.452 95 R N 2.512 123.158 120.500 0.242 0.000 2.608 95 R HA 0.361 4.701 4.340 -0.000 0.000 0.255 95 R C -1.836 174.530 176.300 0.110 0.000 1.086 95 R CA -2.191 54.002 56.100 0.155 0.000 1.125 95 R CB 0.504 30.886 30.300 0.137 0.000 1.193 95 R HN 0.242 nan 8.270 nan 0.000 0.553 96 P HA -0.137 nan 4.420 nan 0.000 0.217 96 P C 0.847 178.164 177.300 0.029 0.000 1.150 96 P CA 1.624 64.753 63.100 0.047 0.000 0.832 96 P CB 0.162 31.886 31.700 0.039 0.000 0.787 97 K N -0.495 119.924 120.400 0.032 0.000 2.211 97 K HA -0.167 4.153 4.320 -0.000 0.000 0.204 97 K C 0.955 177.557 176.600 0.003 0.000 1.047 97 K CA 1.710 58.007 56.287 0.016 0.000 0.935 97 K CB -0.802 31.710 32.500 0.020 0.000 0.728 97 K HN 0.081 nan 8.250 nan 0.000 0.452 98 D N 1.188 121.596 120.400 0.013 0.000 2.363 98 D HA 0.073 4.713 4.640 -0.000 0.000 0.220 98 D C 0.784 177.032 176.300 -0.087 0.000 0.994 98 D CA 0.260 54.245 54.000 -0.025 0.000 0.890 98 D CB -0.104 40.705 40.800 0.014 0.000 0.906 98 D HN 0.270 nan 8.370 nan 0.000 0.530 99 I N 0.500 121.033 120.570 -0.062 0.000 2.919 99 I HA -0.094 4.076 4.170 -0.000 0.000 0.303 99 I C 1.880 177.939 176.117 -0.096 0.000 1.221 99 I CA 1.180 62.429 61.300 -0.084 0.000 1.444 99 I CB 0.432 38.405 38.000 -0.044 0.000 1.331 99 I HN 0.223 nan 8.210 nan 0.000 0.572 100 G N 5.308 114.037 108.800 -0.118 0.000 2.336 100 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.233 100 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.233 100 G C 0.510 175.324 174.900 -0.144 0.000 1.053 100 G CA -0.260 44.778 45.100 -0.104 0.000 0.625 100 G HN 0.599 nan 8.290 nan 0.000 0.511 101 R N 1.506 121.898 120.500 -0.180 0.000 2.707 101 R HA 0.426 4.766 4.340 -0.000 0.000 0.270 101 R C -2.511 173.574 176.300 -0.358 0.000 1.083 101 R CA -1.281 54.681 56.100 -0.230 0.000 1.182 101 R CB 0.028 30.211 30.300 -0.195 0.000 1.084 101 R HN 0.173 nan 8.270 nan 0.000 0.528 102 P HA 0.028 nan 4.420 nan 0.000 0.271 102 P C -0.204 176.793 177.300 -0.506 0.000 1.220 102 P CA 0.065 62.731 63.100 -0.723 0.000 0.768 102 P CB 0.682 31.691 31.700 -1.152 0.000 0.848 103 K N 2.803 122.934 120.400 -0.450 0.000 2.009 103 K HA -0.186 4.134 4.320 -0.000 0.000 0.210 103 K C 1.949 178.484 176.600 -0.108 0.000 1.049 103 K CA 1.959 58.019 56.287 -0.379 0.000 0.929 103 K CB -0.676 31.700 32.500 -0.207 0.000 0.714 103 K HN 0.457 nan 8.250 nan 0.000 0.440 104 A N 1.715 124.484 122.820 -0.086 0.000 1.908 104 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 104 A C 2.125 179.691 177.584 -0.030 0.000 1.181 104 A CA 1.877 53.912 52.037 -0.004 0.000 0.627 104 A CB -0.538 18.489 19.000 0.046 0.000 0.818 104 A HN 0.445 nan 8.150 nan 0.000 0.445 105 E N -0.260 119.870 120.200 -0.116 0.000 2.031 105 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 105 E C 1.942 178.526 176.600 -0.028 0.000 0.994 105 E CA 1.609 57.953 56.400 -0.093 0.000 0.800 105 E CB -0.141 29.462 29.700 -0.162 0.000 0.752 105 E HN 0.334 nan 8.360 nan 0.000 0.447 106 V N 1.397 121.293 119.914 -0.029 0.000 2.407 106 V HA -0.269 3.850 4.120 -0.000 0.000 0.248 106 V C 2.481 178.704 176.094 0.216 0.000 1.055 106 V CA 1.753 64.106 62.300 0.088 0.000 1.049 106 V CB -0.846 31.018 31.823 0.068 0.000 0.662 106 V HN 0.417 nan 8.190 nan 0.000 0.455 107 A N 0.183 123.143 122.820 0.234 0.000 1.877 107 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 107 A C 2.432 180.082 177.584 0.109 0.000 1.186 107 A CA 2.230 54.356 52.037 0.148 0.000 0.620 107 A CB -0.853 18.206 19.000 0.099 0.000 0.822 107 A HN 0.573 nan 8.150 nan 0.000 0.443 108 A N -0.675 122.192 122.820 0.079 0.000 1.930 108 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 108 A C 2.032 179.668 177.584 0.088 0.000 1.175 108 A CA 1.691 53.767 52.037 0.065 0.000 0.627 108 A CB -0.522 18.487 19.000 0.016 0.000 0.815 108 A HN 0.674 nan 8.150 nan 0.000 0.443 109 E N -1.015 119.236 120.200 0.086 0.000 2.038 109 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 109 E C 1.800 178.466 176.600 0.111 0.000 1.000 109 E CA 1.481 57.925 56.400 0.073 0.000 0.803 109 E CB -0.267 29.469 29.700 0.059 0.000 0.750 109 E HN 0.631 nan 8.360 nan 0.000 0.448 110 F N 0.852 120.814 119.950 0.021 0.000 2.014 110 F HA -0.267 4.260 4.527 -0.000 0.000 0.295 110 F C 2.332 178.148 175.800 0.026 0.000 1.145 110 F CA 1.091 59.103 58.000 0.020 0.000 1.178 110 F CB -0.265 38.735 39.000 0.001 0.000 0.972 110 F HN 0.082 nan 8.300 nan 0.000 0.476 111 L N 1.177 122.672 121.223 0.453 0.000 2.021 111 L HA -0.337 4.003 4.340 -0.000 0.000 0.215 111 L C 2.074 179.060 176.870 0.195 0.000 1.074 111 L CA 1.933 56.956 54.840 0.305 0.000 0.760 111 L CB -1.576 40.586 42.059 0.171 0.000 0.889 111 L HN 0.323 nan 8.230 nan 0.000 0.433 112 N N -0.340 118.440 118.700 0.134 0.000 2.289 112 N HA -0.196 4.544 4.740 -0.000 0.000 0.184 112 N C 1.567 177.117 175.510 0.067 0.000 1.016 112 N CA 1.330 54.435 53.050 0.092 0.000 0.872 112 N CB -0.158 38.366 38.487 0.062 0.000 0.973 112 N HN 0.531 nan 8.380 nan 0.000 0.433 113 D N 0.421 120.840 120.400 0.032 0.000 2.197 113 D HA -0.058 4.582 4.640 -0.000 0.000 0.212 113 D C 1.846 178.135 176.300 -0.019 0.000 0.963 113 D CA 0.398 54.380 54.000 -0.030 0.000 0.864 113 D CB 0.412 41.134 40.800 -0.130 0.000 1.009 113 D HN -0.022 nan 8.370 nan 0.000 0.479 114 R N 0.230 120.733 120.500 0.005 0.000 2.115 114 R HA 0.016 4.356 4.340 -0.000 0.000 0.230 114 R C 0.363 176.734 176.300 0.119 0.000 1.111 114 R CA 0.619 56.758 56.100 0.066 0.000 0.976 114 R CB -0.036 30.400 30.300 0.226 0.000 0.870 114 R HN -0.013 nan 8.270 nan 0.000 0.445 115 V N 2.288 122.292 119.914 0.150 0.000 2.257 115 V HA 0.223 4.343 4.120 -0.000 0.000 0.269 115 V C -1.741 174.454 176.094 0.170 0.000 1.040 115 V CA -1.627 60.776 62.300 0.172 0.000 0.813 115 V CB 1.336 33.273 31.823 0.191 0.000 1.065 115 V HN 0.171 nan 8.190 nan 0.000 0.457 116 P HA -0.275 nan 4.420 nan 0.000 0.231 116 P C 0.679 178.074 177.300 0.158 0.000 1.032 116 P CA 1.962 65.175 63.100 0.187 0.000 1.048 116 P CB 0.062 31.957 31.700 0.325 0.000 0.731 117 N N -3.012 115.792 118.700 0.174 0.000 2.416 117 N HA 0.100 4.840 4.740 -0.000 0.000 0.267 117 N C -0.538 175.057 175.510 0.141 0.000 1.294 117 N CA -0.209 52.927 53.050 0.144 0.000 0.891 117 N CB -0.159 38.413 38.487 0.143 0.000 1.238 117 N HN 0.145 nan 8.380 nan 0.000 0.508 118 C N 1.363 120.752 119.300 0.148 0.000 2.637 118 C HA 0.183 4.643 4.460 -0.000 0.000 0.418 118 C C 1.271 176.328 174.990 0.112 0.000 1.319 118 C CA -0.036 59.070 59.018 0.146 0.000 1.949 118 C CB -0.579 27.255 27.740 0.157 0.000 2.639 118 C HN 0.387 nan 8.230 nan 0.000 0.594 119 N N 3.570 122.335 118.700 0.108 0.000 2.761 119 N HA 0.197 4.937 4.740 -0.000 0.000 0.317 119 N C -0.629 174.930 175.510 0.082 0.000 1.546 119 N CA -0.184 52.917 53.050 0.084 0.000 1.015 119 N CB 0.238 38.773 38.487 0.082 0.000 1.343 119 N HN 0.471 nan 8.380 nan 0.000 0.504 120 V N 1.294 121.253 119.914 0.075 0.000 2.450 120 V HA 0.097 4.217 4.120 -0.000 0.000 0.281 120 V C 0.287 176.368 176.094 -0.021 0.000 1.019 120 V CA -0.320 62.015 62.300 0.058 0.000 1.062 120 V CB 0.804 32.667 31.823 0.066 0.000 0.979 120 V HN 0.059 nan 8.190 nan 0.000 0.477 121 V N 9.016 128.864 119.914 -0.109 0.000 2.350 121 V HA 0.363 4.483 4.120 -0.000 0.000 0.276 121 V C -1.758 174.128 176.094 -0.347 0.000 1.028 121 V CA -1.456 60.656 62.300 -0.313 0.000 0.860 121 V CB 1.519 32.934 31.823 -0.679 0.000 0.990 121 V HN 0.741 nan 8.190 nan 0.000 0.453 122 P HA 0.406 nan 4.420 nan 0.000 0.280 122 P C -1.077 175.950 177.300 -0.455 0.000 1.272 122 P CA -0.417 62.550 63.100 -0.221 0.000 0.819 122 P CB 1.274 32.913 31.700 -0.101 0.000 1.122 123 H N 0.759 119.901 119.070 0.121 0.000 3.239 123 H HA 0.154 4.710 4.556 -0.000 0.000 0.320 123 H C -1.068 174.423 175.328 0.271 0.000 1.074 123 H CA -0.380 55.788 56.048 0.200 0.000 1.553 123 H CB 0.353 30.257 29.762 0.236 0.000 1.752 123 H HN 0.299 nan 8.280 nan 0.000 0.513 124 F N 5.127 125.151 119.950 0.124 0.000 2.661 124 F HA 0.239 4.766 4.527 -0.000 0.000 0.356 124 F C -0.490 175.341 175.800 0.051 0.000 1.244 124 F CA -0.499 57.538 58.000 0.061 0.000 1.290 124 F CB -0.695 38.309 39.000 0.008 0.000 1.677 124 F HN 0.411 nan 8.300 nan 0.000 0.649 125 N N 2.987 121.818 118.700 0.219 0.000 2.972 125 N HA 0.339 5.079 4.740 -0.000 0.000 0.262 125 N C -1.401 174.145 175.510 0.060 0.000 1.478 125 N CA -0.869 52.180 53.050 -0.003 0.000 0.841 125 N CB 2.053 40.514 38.487 -0.043 0.000 1.512 125 N HN 0.242 nan 8.380 nan 0.000 0.548 126 K N -0.224 120.143 120.400 -0.055 0.000 2.203 126 K HA 0.463 4.783 4.320 -0.000 0.000 0.251 126 K C 1.266 177.866 176.600 0.000 0.000 0.944 126 K CA -0.711 55.553 56.287 -0.038 0.000 0.829 126 K CB 1.786 34.205 32.500 -0.135 0.000 1.125 126 K HN 0.616 nan 8.250 nan 0.000 0.430 127 I N -1.564 119.028 120.570 0.036 0.000 2.399 127 I HA -0.316 3.854 4.170 -0.000 0.000 0.254 127 I C 1.215 177.192 176.117 -0.234 0.000 1.146 127 I CA 1.105 62.493 61.300 0.146 0.000 1.412 127 I CB -0.455 37.629 38.000 0.141 0.000 1.076 127 I HN 0.573 nan 8.210 nan 0.000 0.432 128 Q N 1.162 120.560 119.800 -0.670 0.000 2.436 128 Q HA -0.093 4.247 4.340 -0.000 0.000 0.209 128 Q C 1.393 177.190 176.000 -0.337 0.000 0.965 128 Q CA 1.020 56.292 55.803 -0.884 0.000 0.910 128 Q CB -0.228 28.019 28.738 -0.818 0.000 0.980 128 Q HN 0.549 nan 8.270 nan 0.000 0.491 129 D N -0.575 119.617 120.400 -0.346 0.000 2.269 129 D HA -0.031 4.609 4.640 -0.000 0.000 0.208 129 D C -0.285 175.674 176.300 -0.570 0.000 0.963 129 D CA 0.656 54.355 54.000 -0.501 0.000 0.864 129 D CB 0.189 40.538 40.800 -0.752 0.000 0.936 129 D HN 0.139 nan 8.370 nan 0.000 0.505 130 F N 0.650 120.571 119.950 -0.048 0.000 2.497 130 F HA 0.345 4.872 4.527 -0.000 0.000 0.331 130 F C 0.830 176.824 175.800 0.325 0.000 1.060 130 F CA -1.277 56.710 58.000 -0.023 0.000 0.989 130 F CB 0.842 39.641 39.000 -0.336 0.000 1.245 130 F HN -0.246 nan 8.300 nan 0.000 0.486 131 N N -1.447 117.541 118.700 0.479 0.000 2.577 131 N HA 0.210 4.950 4.740 -0.000 0.000 0.285 131 N C 0.148 175.951 175.510 0.487 0.000 1.309 131 N CA -0.696 52.639 53.050 0.476 0.000 0.798 131 N CB 0.294 38.944 38.487 0.272 0.000 1.463 131 N HN 0.545 nan 8.380 nan 0.000 0.518 132 D N -0.701 119.920 120.400 0.369 0.000 2.200 132 D HA -0.295 4.345 4.640 -0.000 0.000 0.192 132 D C 0.999 177.435 176.300 0.227 0.000 1.008 132 D CA 2.291 56.464 54.000 0.289 0.000 0.872 132 D CB -1.253 39.631 40.800 0.140 0.000 0.923 132 D HN 0.593 nan 8.370 nan 0.000 0.447 133 T N 0.033 114.697 114.554 0.183 0.000 2.624 133 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 133 T C 1.474 176.239 174.700 0.108 0.000 1.041 133 T CA 1.735 63.909 62.100 0.123 0.000 1.159 133 T CB -0.665 68.277 68.868 0.124 0.000 0.863 133 T HN 0.269 nan 8.240 nan 0.000 0.434 134 F N 0.702 120.644 119.950 -0.013 0.000 2.084 134 F HA -0.056 4.471 4.527 -0.000 0.000 0.296 134 F C 1.987 177.670 175.800 -0.195 0.000 1.111 134 F CA 0.994 58.901 58.000 -0.156 0.000 1.224 134 F CB -0.685 38.182 39.000 -0.222 0.000 0.991 134 F HN 0.240 nan 8.300 nan 0.000 0.471 135 Y N -0.079 120.217 120.300 -0.006 0.000 2.293 135 Y HA -0.126 4.424 4.550 -0.000 0.000 0.291 135 Y C 2.688 178.535 175.900 -0.089 0.000 1.137 135 Y CA 1.384 59.462 58.100 -0.037 0.000 1.202 135 Y CB -0.654 37.877 38.460 0.118 0.000 0.990 135 Y HN -0.012 nan 8.280 nan 0.000 0.537 136 R N 1.343 121.868 120.500 0.043 0.000 2.170 136 R HA -0.261 4.079 4.340 -0.000 0.000 0.242 136 R C 2.093 178.304 176.300 -0.148 0.000 1.145 136 R CA 1.896 57.977 56.100 -0.031 0.000 0.984 136 R CB -0.220 30.064 30.300 -0.027 0.000 0.869 136 R HN 0.622 nan 8.270 nan 0.000 0.455 137 Q N -0.962 118.641 119.800 -0.328 0.000 2.364 137 Q HA -0.063 4.277 4.340 -0.000 0.000 0.207 137 Q C -0.206 175.479 176.000 -0.524 0.000 0.970 137 Q CA 0.606 56.121 55.803 -0.480 0.000 0.888 137 Q CB -0.051 28.269 28.738 -0.696 0.000 0.951 137 Q HN 0.180 nan 8.270 nan 0.000 0.469 138 F N 0.577 120.423 119.950 -0.174 0.000 2.375 138 F HA 0.210 4.737 4.527 -0.000 0.000 0.333 138 F C 1.055 176.869 175.800 0.023 0.000 1.104 138 F CA -0.836 57.110 58.000 -0.091 0.000 1.149 138 F CB 0.952 39.847 39.000 -0.174 0.000 1.190 138 F HN -0.031 nan 8.300 nan 0.000 0.533 139 H N 1.865 120.994 119.070 0.098 0.000 2.384 139 H HA 0.303 4.859 4.556 -0.000 0.000 0.300 139 H C -0.027 175.315 175.328 0.023 0.000 1.057 139 H CA 1.134 57.203 56.048 0.034 0.000 1.370 139 H CB 0.142 29.923 29.762 0.032 0.000 1.417 139 H HN 0.283 nan 8.280 nan 0.000 0.527 140 I N 0.175 120.837 120.570 0.153 0.000 2.827 140 I HA 0.287 4.457 4.170 -0.000 0.000 0.298 140 I C -1.140 174.942 176.117 -0.059 0.000 1.235 140 I CA -0.665 60.649 61.300 0.023 0.000 1.021 140 I CB 3.343 41.332 38.000 -0.019 0.000 1.259 140 I HN -0.139 nan 8.210 nan 0.000 0.427 141 I N 4.903 125.424 120.570 -0.081 0.000 2.498 141 I HA 0.507 4.677 4.170 -0.000 0.000 0.290 141 I C -0.904 175.146 176.117 -0.112 0.000 1.032 141 I CA -0.986 60.236 61.300 -0.130 0.000 1.073 141 I CB 2.245 40.189 38.000 -0.094 0.000 1.251 141 I HN 0.142 nan 8.210 nan 0.000 0.426 142 V N 4.080 123.916 119.914 -0.129 0.000 2.495 142 V HA 0.446 4.566 4.120 -0.000 0.000 0.298 142 V C -0.151 175.900 176.094 -0.071 0.000 1.031 142 V CA -0.632 61.608 62.300 -0.101 0.000 0.871 142 V CB 1.718 33.468 31.823 -0.121 0.000 0.988 142 V HN 0.804 nan 8.190 nan 0.000 0.432 143 C N 2.866 122.138 119.300 -0.046 0.000 2.349 143 C HA 0.917 5.377 4.460 -0.000 0.000 0.361 143 C C 1.054 176.034 174.990 -0.015 0.000 1.189 143 C CA 0.412 59.419 59.018 -0.018 0.000 2.155 143 C CB 1.375 29.116 27.740 0.003 0.000 2.336 143 C HN 1.212 nan 8.230 nan 0.000 0.540 144 G N 2.254 111.055 108.800 0.001 0.000 5.569 144 G HA2 0.310 4.270 3.960 -0.000 0.000 0.192 144 G HA3 0.310 4.270 3.960 -0.000 0.000 0.192 144 G C -0.489 174.421 174.900 0.017 0.000 0.708 144 G CA -0.228 44.873 45.100 0.002 0.000 0.628 144 G HN 0.566 nan 8.290 nan 0.000 0.345 145 L N 0.188 121.427 121.223 0.027 0.000 2.482 145 L HA 0.454 4.794 4.340 -0.000 0.000 0.242 145 L C 0.881 177.766 176.870 0.025 0.000 1.210 145 L CA -0.423 54.435 54.840 0.030 0.000 0.819 145 L CB 0.754 42.836 42.059 0.038 0.000 1.203 145 L HN 0.300 nan 8.230 nan 0.000 0.495 146 D N -2.037 118.372 120.400 0.016 0.000 2.620 146 D HA 0.134 4.774 4.640 -0.000 0.000 0.260 146 D C -0.341 175.955 176.300 -0.007 0.000 1.367 146 D CA -0.239 53.766 54.000 0.009 0.000 0.805 146 D CB 0.358 41.161 40.800 0.005 0.000 1.096 146 D HN 0.372 nan 8.370 nan 0.000 0.488 147 S N -0.962 114.729 115.700 -0.015 0.000 2.541 147 S HA 0.454 4.924 4.470 -0.000 0.000 0.271 147 S C 0.693 175.247 174.600 -0.077 0.000 1.133 147 S CA -0.901 57.272 58.200 -0.046 0.000 0.876 147 S CB 0.995 64.172 63.200 -0.039 0.000 1.105 147 S HN -0.025 nan 8.310 nan 0.000 0.470 148 I N 2.043 122.516 120.570 -0.162 0.000 2.226 148 I HA -0.169 4.001 4.170 -0.000 0.000 0.245 148 I C 2.156 178.200 176.117 -0.121 0.000 1.100 148 I CA 1.341 62.478 61.300 -0.272 0.000 1.374 148 I CB -0.696 37.017 38.000 -0.477 0.000 1.057 148 I HN 0.704 nan 8.210 nan 0.000 0.413 149 I N 1.558 122.084 120.570 -0.073 0.000 2.113 149 I HA -0.340 3.830 4.170 -0.000 0.000 0.242 149 I C 2.933 179.088 176.117 0.065 0.000 1.064 149 I CA 1.769 63.067 61.300 -0.003 0.000 1.320 149 I CB -1.012 36.987 38.000 -0.002 0.000 1.028 149 I HN 0.164 nan 8.210 nan 0.000 0.406 150 A N 1.223 124.071 122.820 0.047 0.000 1.883 150 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 150 A C 2.487 180.155 177.584 0.140 0.000 1.186 150 A CA 1.879 53.971 52.037 0.091 0.000 0.624 150 A CB -0.701 18.322 19.000 0.038 0.000 0.822 150 A HN 0.402 nan 8.150 nan 0.000 0.444 151 R N -0.757 119.792 120.500 0.082 0.000 2.096 151 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 151 R C 2.456 178.809 176.300 0.089 0.000 1.127 151 R CA 1.462 57.614 56.100 0.086 0.000 0.968 151 R CB -0.321 30.028 30.300 0.083 0.000 0.861 151 R HN 0.542 nan 8.270 nan 0.000 0.440 152 R N -0.443 120.105 120.500 0.081 0.000 2.073 152 R HA -0.187 4.153 4.340 -0.000 0.000 0.234 152 R C 2.007 178.340 176.300 0.056 0.000 1.134 152 R CA 1.668 57.804 56.100 0.059 0.000 0.952 152 R CB -0.460 29.868 30.300 0.047 0.000 0.850 152 R HN 0.317 nan 8.270 nan 0.000 0.433 153 W N 1.412 122.695 121.300 -0.028 0.000 2.335 153 W HA -0.218 4.442 4.660 -0.000 0.000 0.311 153 W C 1.978 178.461 176.519 -0.060 0.000 1.213 153 W CA 1.325 58.651 57.345 -0.031 0.000 1.274 153 W CB -0.296 29.154 29.460 -0.016 0.000 1.148 153 W HN 0.005 nan 8.180 nan 0.000 0.498 154 I N 1.249 121.966 120.570 0.246 0.000 2.493 154 I HA -0.234 3.936 4.170 -0.000 0.000 0.254 154 I C 2.042 178.076 176.117 -0.138 0.000 1.160 154 I CA 2.036 63.363 61.300 0.046 0.000 1.445 154 I CB -0.992 37.066 38.000 0.096 0.000 1.086 154 I HN 0.114 nan 8.210 nan 0.000 0.433 155 N N 0.310 118.960 118.700 -0.082 0.000 2.058 155 N HA -0.115 4.625 4.740 -0.000 0.000 0.191 155 N C 2.046 177.459 175.510 -0.161 0.000 1.037 155 N CA 1.801 54.798 53.050 -0.088 0.000 0.848 155 N CB -0.706 37.762 38.487 -0.031 0.000 1.021 155 N HN 0.365 nan 8.380 nan 0.000 0.422 156 G N 0.738 109.403 108.800 -0.225 0.000 2.545 156 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.217 156 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.217 156 G C 1.465 176.152 174.900 -0.354 0.000 1.218 156 G CA 1.417 46.344 45.100 -0.288 0.000 0.787 156 G HN 0.387 nan 8.290 nan 0.000 0.571 157 M N 0.268 119.520 119.600 -0.579 0.000 2.147 157 M HA -0.121 4.359 4.480 -0.000 0.000 0.253 157 M C 2.266 178.386 176.300 -0.300 0.000 1.075 157 M CA 1.382 56.356 55.300 -0.544 0.000 1.085 157 M CB -0.685 31.439 32.600 -0.793 0.000 1.305 157 M HN 0.124 nan 8.290 nan 0.000 0.409 158 L N -0.447 120.618 121.223 -0.264 0.000 2.079 158 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 158 L C 2.540 179.342 176.870 -0.113 0.000 1.081 158 L CA 1.899 56.645 54.840 -0.157 0.000 0.752 158 L CB -1.352 40.630 42.059 -0.128 0.000 0.896 158 L HN 0.467 nan 8.230 nan 0.000 0.433 159 I N -0.199 120.301 120.570 -0.116 0.000 2.252 159 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 159 I C 2.488 178.569 176.117 -0.061 0.000 1.102 159 I CA 1.302 62.559 61.300 -0.072 0.000 1.385 159 I CB -0.181 37.784 38.000 -0.059 0.000 1.064 159 I HN 0.293 nan 8.210 nan 0.000 0.414 160 S N 0.723 116.368 115.700 -0.092 0.000 2.537 160 S HA -0.045 4.425 4.470 -0.000 0.000 0.240 160 S C 1.756 176.329 174.600 -0.045 0.000 0.981 160 S CA 0.683 58.844 58.200 -0.065 0.000 0.948 160 S CB -0.582 62.562 63.200 -0.093 0.000 0.759 160 S HN 0.443 nan 8.310 nan 0.000 0.531 161 L N 0.352 121.541 121.223 -0.056 0.000 2.492 161 L HA 0.298 4.638 4.340 -0.000 0.000 0.223 161 L C 0.484 177.311 176.870 -0.072 0.000 1.132 161 L CA 0.036 54.848 54.840 -0.046 0.000 0.850 161 L CB -0.273 41.763 42.059 -0.040 0.000 0.966 161 L HN 0.293 nan 8.230 nan 0.000 0.454 162 L N 1.112 122.279 121.223 -0.093 0.000 2.462 162 L HA -0.019 4.321 4.340 -0.000 0.000 0.272 162 L C 0.159 176.910 176.870 -0.198 0.000 1.166 162 L CA 0.142 54.869 54.840 -0.189 0.000 0.880 162 L CB 0.062 41.981 42.059 -0.232 0.000 1.142 162 L HN 0.119 nan 8.230 nan 0.000 0.473 163 N N 2.536 121.084 118.700 -0.253 0.000 2.446 163 N HA 0.265 5.005 4.740 -0.000 0.000 0.265 163 N C -1.451 173.912 175.510 -0.245 0.000 0.975 163 N CA -0.392 52.563 53.050 -0.159 0.000 0.928 163 N CB 0.653 39.082 38.487 -0.096 0.000 1.160 163 N HN 0.241 nan 8.380 nan 0.000 0.495 164 Y N 1.611 121.902 120.300 -0.015 0.000 2.385 164 Y HA 0.239 4.789 4.550 -0.000 0.000 0.341 164 Y C 0.205 176.099 175.900 -0.011 0.000 0.965 164 Y CA -0.668 57.425 58.100 -0.013 0.000 1.180 164 Y CB 1.219 39.672 38.460 -0.012 0.000 1.139 164 Y HN 0.386 nan 8.280 nan 0.000 0.502 165 E N 4.776 125.043 120.200 0.112 0.000 1.972 165 E HA 0.024 4.374 4.350 -0.000 0.000 0.292 165 E C -0.755 175.890 176.600 0.076 0.000 1.193 165 E CA 0.151 56.591 56.400 0.068 0.000 1.228 165 E CB -0.486 29.233 29.700 0.030 0.000 1.167 165 E HN 0.690 nan 8.360 nan 0.000 0.479 166 D N 1.389 121.838 120.400 0.081 0.000 3.241 166 D HA -0.168 4.472 4.640 -0.000 0.000 0.248 166 D C 0.978 177.308 176.300 0.049 0.000 1.093 166 D CA 0.929 54.959 54.000 0.051 0.000 0.940 166 D CB -1.154 39.665 40.800 0.031 0.000 0.980 166 D HN 0.690 nan 8.370 nan 0.000 0.421 167 G N -1.466 107.357 108.800 0.039 0.000 2.377 167 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.250 167 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.250 167 G C 0.577 175.530 174.900 0.088 0.000 1.039 167 G CA 0.563 45.658 45.100 -0.008 0.000 0.625 167 G HN 0.689 nan 8.290 nan 0.000 0.526 168 V N 1.692 121.698 119.914 0.153 0.000 2.785 168 V HA 0.663 4.783 4.120 -0.000 0.000 0.300 168 V C 0.503 176.767 176.094 0.284 0.000 1.062 168 V CA -0.479 61.926 62.300 0.175 0.000 1.029 168 V CB 1.731 33.606 31.823 0.087 0.000 1.024 168 V HN 0.470 nan 8.190 nan 0.000 0.477 169 L N 3.230 124.555 121.223 0.170 0.000 2.264 169 L HA 0.470 4.810 4.340 -0.000 0.000 0.289 169 L C -0.216 176.592 176.870 -0.102 0.000 1.044 169 L CA -0.288 54.516 54.840 -0.060 0.000 0.807 169 L CB 0.882 42.911 42.059 -0.050 0.000 1.192 169 L HN 0.749 nan 8.230 nan 0.000 0.425 170 D N 7.525 127.822 120.400 -0.171 0.000 2.344 170 D HA 0.175 4.815 4.640 -0.000 0.000 0.253 170 D C -1.578 174.648 176.300 -0.124 0.000 1.255 170 D CA -1.866 52.065 54.000 -0.116 0.000 0.894 170 D CB 1.249 41.982 40.800 -0.112 0.000 1.067 170 D HN 0.433 nan 8.370 nan 0.000 0.492 171 P HA -0.201 nan 4.420 nan 0.000 0.217 171 P C 0.936 178.190 177.300 -0.077 0.000 1.148 171 P CA 0.983 64.041 63.100 -0.070 0.000 0.828 171 P CB 0.020 31.695 31.700 -0.042 0.000 0.783 172 S N -0.695 114.958 115.700 -0.078 0.000 2.607 172 S HA 0.013 4.483 4.470 -0.000 0.000 0.224 172 S C 1.654 176.195 174.600 -0.098 0.000 0.969 172 S CA 0.634 58.784 58.200 -0.084 0.000 0.927 172 S CB -1.093 62.062 63.200 -0.075 0.000 0.772 172 S HN 0.299 nan 8.310 nan 0.000 0.533 173 S N 0.297 115.932 115.700 -0.109 0.000 2.554 173 S HA 0.412 4.882 4.470 -0.000 0.000 0.226 173 S C 0.220 174.754 174.600 -0.110 0.000 0.980 173 S CA -0.677 57.456 58.200 -0.112 0.000 0.939 173 S CB -0.537 62.587 63.200 -0.127 0.000 0.832 173 S HN 0.503 nan 8.310 nan 0.000 0.486 174 I N 2.618 123.126 120.570 -0.104 0.000 2.322 174 I HA 0.252 4.422 4.170 -0.000 0.000 0.292 174 I C -0.712 175.365 176.117 -0.067 0.000 1.060 174 I CA -0.531 60.717 61.300 -0.088 0.000 1.309 174 I CB 1.364 39.317 38.000 -0.077 0.000 1.415 174 I HN 0.011 nan 8.210 nan 0.000 0.492 175 V N 9.516 129.396 119.914 -0.055 0.000 2.318 175 V HA 0.237 4.357 4.120 -0.000 0.000 0.271 175 V C -2.033 174.042 176.094 -0.031 0.000 1.030 175 V CA -1.813 60.467 62.300 -0.035 0.000 0.844 175 V CB 0.980 32.795 31.823 -0.014 0.000 1.015 175 V HN 0.575 nan 8.190 nan 0.000 0.460 176 P HA 0.051 nan 4.420 nan 0.000 0.263 176 P C -0.794 176.486 177.300 -0.034 0.000 1.175 176 P CA 0.010 63.094 63.100 -0.028 0.000 0.761 176 P CB 0.399 32.086 31.700 -0.023 0.000 0.794 177 L N 5.060 126.261 121.223 -0.037 0.000 2.372 177 L HA 0.477 4.817 4.340 -0.000 0.000 0.273 177 L C -1.334 175.511 176.870 -0.042 0.000 0.989 177 L CA -0.479 54.336 54.840 -0.042 0.000 0.841 177 L CB 0.699 42.734 42.059 -0.040 0.000 1.225 177 L HN 0.068 nan 8.230 nan 0.000 0.414 178 I N 3.582 124.120 120.570 -0.053 0.000 2.392 178 I HA 0.513 4.683 4.170 -0.000 0.000 0.295 178 I C -0.292 175.793 176.117 -0.053 0.000 0.985 178 I CA -0.405 60.860 61.300 -0.058 0.000 1.221 178 I CB 1.222 39.180 38.000 -0.071 0.000 1.366 178 I HN 0.689 nan 8.210 nan 0.000 0.467 179 D N 3.312 123.680 120.400 -0.053 0.000 2.780 179 D HA 0.713 5.353 4.640 -0.000 0.000 0.242 179 D C -0.446 175.818 176.300 -0.059 0.000 1.135 179 D CA -0.296 53.683 54.000 -0.036 0.000 0.859 179 D CB 2.070 42.872 40.800 0.002 0.000 1.530 179 D HN 0.734 nan 8.370 nan 0.000 0.493 180 G N 0.769 109.544 108.800 -0.041 0.000 2.481 180 G HA2 0.717 4.677 3.960 -0.000 0.000 0.315 180 G HA3 0.717 4.677 3.960 -0.000 0.000 0.315 180 G C -0.615 174.280 174.900 -0.009 0.000 1.231 180 G CA -0.712 44.357 45.100 -0.053 0.000 0.968 180 G HN 0.597 nan 8.290 nan 0.000 0.482 181 G N -1.304 107.492 108.800 -0.006 0.000 2.660 181 G HA2 0.681 4.641 3.960 -0.000 0.000 0.294 181 G HA3 0.681 4.641 3.960 -0.000 0.000 0.294 181 G C -1.364 173.558 174.900 0.036 0.000 1.369 181 G CA -0.410 44.716 45.100 0.043 0.000 0.912 181 G HN 0.742 nan 8.290 nan 0.000 0.479 182 T N -0.141 114.443 114.554 0.051 0.000 2.942 182 T HA 0.620 4.970 4.350 -0.000 0.000 0.327 182 T C -1.738 172.988 174.700 0.044 0.000 1.360 182 T CA -0.472 61.657 62.100 0.048 0.000 1.055 182 T CB 1.875 70.756 68.868 0.022 0.000 1.261 182 T HN 0.510 nan 8.240 nan 0.000 0.485 183 E N 1.640 121.863 120.200 0.039 0.000 2.454 183 E HA 0.443 4.793 4.350 -0.000 0.000 0.315 183 E C 0.340 176.918 176.600 -0.037 0.000 0.907 183 E CA -0.207 56.198 56.400 0.007 0.000 0.797 183 E CB 1.327 31.050 29.700 0.037 0.000 1.396 183 E HN 1.047 nan 8.360 nan 0.000 0.389 184 G N 2.431 111.147 108.800 -0.141 0.000 2.622 184 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.307 184 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.307 184 G C 0.271 174.956 174.900 -0.358 0.000 1.226 184 G CA 0.702 45.581 45.100 -0.367 0.000 0.997 184 G HN 0.520 nan 8.290 nan 0.000 0.551 185 F N 1.959 121.963 119.950 0.090 0.000 2.664 185 F HA 0.491 5.018 4.527 -0.000 0.000 0.301 185 F C 1.067 176.963 175.800 0.159 0.000 1.126 185 F CA 0.290 58.367 58.000 0.127 0.000 1.373 185 F CB 0.407 39.454 39.000 0.077 0.000 1.042 185 F HN 0.017 nan 8.300 nan 0.000 0.535 186 K N 0.087 120.636 120.400 0.248 0.000 2.267 186 K HA 0.811 5.131 4.320 -0.000 0.000 0.246 186 K C -0.022 176.728 176.600 0.249 0.000 0.954 186 K CA -0.586 55.846 56.287 0.242 0.000 0.824 186 K CB 2.048 34.643 32.500 0.158 0.000 1.167 186 K HN 0.070 nan 8.250 nan 0.000 0.431 187 G N 0.962 109.931 108.800 0.280 0.000 2.601 187 G HA2 0.411 4.371 3.960 -0.000 0.000 0.291 187 G HA3 0.411 4.371 3.960 -0.000 0.000 0.291 187 G C -1.892 173.075 174.900 0.111 0.000 1.456 187 G CA -0.820 44.380 45.100 0.168 0.000 0.804 187 G HN 0.668 nan 8.290 nan 0.000 0.499 188 N N -0.860 117.835 118.700 -0.008 0.000 2.525 188 N HA 0.773 5.513 4.740 -0.000 0.000 0.270 188 N C -0.976 174.392 175.510 -0.236 0.000 1.321 188 N CA -0.505 52.448 53.050 -0.162 0.000 0.797 188 N CB 2.379 40.720 38.487 -0.244 0.000 1.529 188 N HN 1.194 nan 8.380 nan 0.000 0.491 189 A N -0.243 122.348 122.820 -0.380 0.000 2.475 189 A HA 0.914 5.234 4.320 -0.000 0.000 0.301 189 A C -1.444 175.894 177.584 -0.410 0.000 1.059 189 A CA -0.453 51.406 52.037 -0.298 0.000 0.710 189 A CB 1.702 20.574 19.000 -0.214 0.000 1.288 189 A HN 1.111 nan 8.150 nan 0.000 0.408 190 A N 0.542 123.212 122.820 -0.250 0.000 2.549 190 A HA 0.699 5.019 4.320 -0.000 0.000 0.297 190 A C -1.417 176.108 177.584 -0.097 0.000 1.061 190 A CA -0.438 51.489 52.037 -0.182 0.000 0.690 190 A CB 1.507 20.453 19.000 -0.090 0.000 1.287 190 A HN 1.448 nan 8.150 nan 0.000 0.402 191 V N 2.974 122.844 119.914 -0.073 0.000 2.378 191 V HA 0.419 4.539 4.120 -0.000 0.000 0.288 191 V C -0.434 175.642 176.094 -0.030 0.000 1.016 191 V CA -0.103 62.167 62.300 -0.050 0.000 0.840 191 V CB 0.992 32.787 31.823 -0.047 0.000 0.994 191 V HN 0.692 nan 8.190 nan 0.000 0.431 192 I N 5.917 126.473 120.570 -0.023 0.000 2.339 192 I HA 0.402 4.572 4.170 -0.000 0.000 0.290 192 I C -0.413 175.694 176.117 -0.017 0.000 0.994 192 I CA -0.410 60.883 61.300 -0.013 0.000 1.191 192 I CB 1.683 39.679 38.000 -0.006 0.000 1.343 192 I HN 0.386 nan 8.210 nan 0.000 0.458 193 L N 8.610 129.826 121.223 -0.012 0.000 2.417 193 L HA 0.363 4.703 4.340 -0.000 0.000 0.258 193 L C -2.285 174.576 176.870 -0.014 0.000 1.088 193 L CA -1.755 53.076 54.840 -0.015 0.000 0.975 193 L CB 0.472 42.526 42.059 -0.008 0.000 1.341 193 L HN 0.244 nan 8.230 nan 0.000 0.431 194 P HA -0.131 nan 4.420 nan 0.000 0.255 194 P C 0.960 178.252 177.300 -0.014 0.000 1.141 194 P CA 1.152 64.240 63.100 -0.022 0.000 0.767 194 P CB 0.377 32.052 31.700 -0.042 0.000 0.726 195 G N 2.982 111.794 108.800 0.020 0.000 2.143 195 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.248 195 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.248 195 G C 0.559 175.488 174.900 0.048 0.000 0.991 195 G CA 0.261 45.396 45.100 0.059 0.000 0.689 195 G HN 0.461 nan 8.290 nan 0.000 0.522 196 M N -1.570 118.046 119.600 0.027 0.000 1.905 196 M HA 0.180 4.660 4.480 -0.000 0.000 0.222 196 M C 0.696 177.009 176.300 0.022 0.000 1.280 196 M CA 1.051 56.366 55.300 0.025 0.000 0.985 196 M CB 0.203 32.810 32.600 0.012 0.000 1.689 196 M HN 0.084 nan 8.290 nan 0.000 0.600 197 T N 1.027 115.590 114.554 0.015 0.000 2.930 197 T HA 0.714 5.064 4.350 -0.000 0.000 0.290 197 T C -0.412 174.297 174.700 0.014 0.000 1.052 197 T CA -0.486 61.622 62.100 0.012 0.000 1.017 197 T CB 2.329 71.199 68.868 0.004 0.000 1.137 197 T HN 0.274 nan 8.240 nan 0.000 0.511 198 A N 1.065 123.892 122.820 0.012 0.000 2.567 198 A HA 0.323 4.643 4.320 -0.000 0.000 0.240 198 A C 1.070 178.665 177.584 0.019 0.000 1.053 198 A CA -0.367 51.680 52.037 0.016 0.000 0.755 198 A CB -1.075 17.930 19.000 0.010 0.000 0.978 198 A HN 1.085 nan 8.150 nan 0.000 0.507 199 C N 2.699 122.013 119.300 0.024 0.000 2.478 199 C HA 0.601 5.061 4.460 -0.000 0.000 0.379 199 C C 1.797 176.814 174.990 0.044 0.000 1.470 199 C CA -0.705 58.328 59.018 0.024 0.000 2.066 199 C CB -0.111 27.639 27.740 0.017 0.000 2.001 199 C HN 0.743 nan 8.230 nan 0.000 0.550 200 I N 1.238 121.840 120.570 0.053 0.000 2.361 200 I HA -0.090 4.080 4.170 -0.000 0.000 0.251 200 I C 2.574 178.753 176.117 0.103 0.000 1.133 200 I CA 1.543 62.900 61.300 0.095 0.000 1.413 200 I CB -1.233 36.826 38.000 0.099 0.000 1.073 200 I HN 0.740 nan 8.210 nan 0.000 0.424 201 E N 0.360 120.600 120.200 0.067 0.000 2.072 201 E HA -0.145 4.205 4.350 -0.000 0.000 0.190 201 E C 2.398 179.033 176.600 0.059 0.000 0.982 201 E CA 1.020 57.457 56.400 0.063 0.000 0.803 201 E CB -0.403 29.321 29.700 0.040 0.000 0.755 201 E HN 0.459 nan 8.360 nan 0.000 0.453 202 C N 0.815 120.143 119.300 0.047 0.000 2.410 202 C HA -0.092 4.368 4.460 -0.000 0.000 0.281 202 C C 2.364 177.377 174.990 0.038 0.000 1.318 202 C CA 1.652 60.693 59.018 0.039 0.000 1.776 202 C CB -1.210 26.549 27.740 0.032 0.000 1.942 202 C HN 0.478 nan 8.230 nan 0.000 0.508 203 T N -2.123 112.460 114.554 0.047 0.000 3.174 203 T HA 0.179 4.529 4.350 -0.000 0.000 0.269 203 T C 1.088 175.825 174.700 0.062 0.000 1.017 203 T CA -0.123 61.992 62.100 0.026 0.000 0.899 203 T CB -0.248 68.611 68.868 -0.016 0.000 1.077 203 T HN 0.257 nan 8.240 nan 0.000 0.552 204 L N 1.641 122.938 121.223 0.124 0.000 2.349 204 L HA 0.032 4.372 4.340 -0.000 0.000 0.220 204 L C 2.060 179.051 176.870 0.203 0.000 1.130 204 L CA 1.703 56.677 54.840 0.224 0.000 0.791 204 L CB -0.575 41.576 42.059 0.154 0.000 0.918 204 L HN 0.178 nan 8.230 nan 0.000 0.444 205 E N -0.183 120.076 120.200 0.098 0.000 2.204 205 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 205 E C 2.149 178.779 176.600 0.050 0.000 0.989 205 E CA 1.044 57.486 56.400 0.070 0.000 0.824 205 E CB -0.220 29.501 29.700 0.035 0.000 0.756 205 E HN 0.590 nan 8.360 nan 0.000 0.477 206 L N 0.211 121.426 121.223 -0.013 0.000 2.456 206 L HA -0.076 4.264 4.340 -0.000 0.000 0.224 206 L C 0.704 177.507 176.870 -0.112 0.000 1.148 206 L CA 0.371 55.156 54.840 -0.092 0.000 0.825 206 L CB -0.436 41.512 42.059 -0.185 0.000 0.937 206 L HN 0.047 nan 8.230 nan 0.000 0.450 207 Y N 0.460 120.798 120.300 0.064 0.000 2.397 207 Y HA 0.163 4.713 4.550 -0.000 0.000 0.335 207 Y C -1.507 174.421 175.900 0.048 0.000 1.213 207 Y CA -2.173 55.964 58.100 0.063 0.000 1.391 207 Y CB -0.305 38.186 38.460 0.052 0.000 1.293 207 Y HN -0.088 nan 8.280 nan 0.000 0.557 208 P HA 0.154 nan 4.420 nan 0.000 0.272 208 P C -2.469 174.894 177.300 0.105 0.000 1.230 208 P CA -0.970 62.205 63.100 0.124 0.000 0.788 208 P CB 0.025 31.790 31.700 0.109 0.000 0.949 209 P HA 0.157 nan 4.420 nan 0.000 0.274 209 P C -0.952 176.367 177.300 0.031 0.000 1.231 209 P CA -0.399 62.732 63.100 0.050 0.000 0.790 209 P CB 0.333 32.058 31.700 0.042 0.000 0.951 210 Q N 0.391 120.197 119.800 0.010 0.000 2.331 210 Q HA 0.342 4.682 4.340 -0.000 0.000 0.257 210 Q C -0.856 175.117 176.000 -0.044 0.000 0.957 210 Q CA -0.870 54.919 55.803 -0.023 0.000 0.923 210 Q CB 0.637 29.351 28.738 -0.039 0.000 1.212 210 Q HN 0.073 nan 8.270 nan 0.000 0.443 211 V N 4.219 124.094 119.914 -0.065 0.000 2.399 211 V HA -0.069 4.051 4.120 -0.000 0.000 0.245 211 V C 0.032 175.991 176.094 -0.225 0.000 1.089 211 V CA 0.327 62.579 62.300 -0.080 0.000 1.196 211 V CB -1.404 30.389 31.823 -0.051 0.000 1.221 211 V HN 0.795 nan 8.190 nan 0.000 0.482 212 N N 4.281 122.915 118.700 -0.110 0.000 2.444 212 N HA 0.349 5.089 4.740 -0.000 0.000 0.271 212 N C -0.414 175.121 175.510 0.042 0.000 1.069 212 N CA -0.462 52.522 53.050 -0.111 0.000 0.965 212 N CB 0.656 39.126 38.487 -0.029 0.000 1.092 212 N HN 0.527 nan 8.380 nan 0.000 0.476 213 F N 3.366 123.328 119.950 0.021 0.000 2.471 213 F HA 0.212 4.739 4.527 -0.000 0.000 0.365 213 F C -1.516 174.263 175.800 -0.034 0.000 1.095 213 F CA -2.111 55.882 58.000 -0.012 0.000 1.174 213 F CB 0.573 39.562 39.000 -0.018 0.000 1.105 213 F HN 0.243 nan 8.300 nan 0.000 0.535 214 P HA -0.074 nan 4.420 nan 0.000 0.263 214 P C 0.605 177.922 177.300 0.028 0.000 1.195 214 P CA -0.076 63.060 63.100 0.060 0.000 0.762 214 P CB 0.639 32.355 31.700 0.026 0.000 0.799 215 M N 5.175 124.799 119.600 0.040 0.000 2.106 215 M HA -0.225 4.255 4.480 -0.000 0.000 0.259 215 M C 1.756 178.055 176.300 -0.002 0.000 1.068 215 M CA 2.178 57.498 55.300 0.034 0.000 1.100 215 M CB -1.340 31.286 32.600 0.044 0.000 1.351 215 M HN 0.427 nan 8.290 nan 0.000 0.404 216 A N -0.517 122.297 122.820 -0.011 0.000 1.852 216 A HA -0.302 4.018 4.320 -0.000 0.000 0.217 216 A C 2.308 179.849 177.584 -0.071 0.000 1.215 216 A CA 3.604 55.624 52.037 -0.028 0.000 0.641 216 A CB -1.903 17.084 19.000 -0.020 0.000 0.838 216 A HN 0.711 nan 8.150 nan 0.000 0.450 217 T N -1.312 113.176 114.554 -0.111 0.000 2.759 217 T HA -0.133 4.217 4.350 -0.000 0.000 0.269 217 T C 1.812 176.345 174.700 -0.279 0.000 1.042 217 T CA 1.599 63.579 62.100 -0.201 0.000 1.140 217 T CB -0.715 67.987 68.868 -0.277 0.000 0.864 217 T HN 0.376 nan 8.240 nan 0.000 0.455 218 I N 1.567 121.991 120.570 -0.244 0.000 2.286 218 I HA -0.058 4.112 4.170 -0.000 0.000 0.248 218 I C 2.561 178.579 176.117 -0.164 0.000 1.115 218 I CA 1.405 62.587 61.300 -0.197 0.000 1.392 218 I CB -0.370 37.614 38.000 -0.026 0.000 1.065 218 I HN 0.391 nan 8.210 nan 0.000 0.418 219 A N -1.333 121.411 122.820 -0.127 0.000 2.630 219 A HA 0.427 4.747 4.320 -0.000 0.000 0.290 219 A C 1.253 178.752 177.584 -0.142 0.000 1.267 219 A CA -0.035 51.899 52.037 -0.171 0.000 0.950 219 A CB 0.173 19.148 19.000 -0.041 0.000 1.144 219 A HN 0.263 nan 8.150 nan 0.000 0.527 220 S N -0.593 115.019 115.700 -0.147 0.000 4.193 220 S HA 0.198 4.668 4.470 -0.000 0.000 0.211 220 S C 0.541 175.104 174.600 -0.061 0.000 1.162 220 S CA 0.486 58.644 58.200 -0.069 0.000 1.039 220 S CB -0.105 63.068 63.200 -0.044 0.000 1.371 220 S HN 0.662 nan 8.310 nan 0.000 0.550 221 M N 1.337 120.862 119.600 -0.126 0.000 2.952 221 M HA 0.494 4.974 4.480 -0.000 0.000 0.259 221 M C -3.328 172.849 176.300 -0.205 0.000 1.306 221 M CA -1.591 53.638 55.300 -0.118 0.000 0.626 221 M CB 0.723 33.300 32.600 -0.038 0.000 1.423 221 M HN -0.187 nan 8.290 nan 0.000 0.459 222 P HA 0.210 nan 4.420 nan 0.000 0.267 222 P C -0.120 177.114 177.300 -0.110 0.000 1.205 222 P CA 0.080 63.023 63.100 -0.261 0.000 0.765 222 P CB 0.774 32.220 31.700 -0.423 0.000 0.828 223 R N 2.264 122.838 120.500 0.124 0.000 2.225 223 R HA 0.270 4.610 4.340 -0.000 0.000 0.194 223 R C 0.351 176.576 176.300 -0.124 0.000 0.949 223 R CA 0.041 56.140 56.100 -0.002 0.000 1.088 223 R CB -0.055 30.258 30.300 0.021 0.000 1.106 223 R HN 0.323 nan 8.270 nan 0.000 0.566 224 L N 1.704 122.696 121.223 -0.385 0.000 2.344 224 L HA 0.362 4.702 4.340 -0.000 0.000 0.272 224 L C -1.841 174.839 176.870 -0.317 0.000 1.035 224 L CA -2.415 52.159 54.840 -0.443 0.000 0.807 224 L CB 1.182 42.832 42.059 -0.682 0.000 1.237 224 L HN -0.287 nan 8.230 nan 0.000 0.442 225 P HA -0.189 nan 4.420 nan 0.000 0.217 225 P C 0.837 178.119 177.300 -0.031 0.000 1.151 225 P CA 1.248 64.316 63.100 -0.054 0.000 0.849 225 P CB 0.283 31.976 31.700 -0.012 0.000 0.787 226 E N -2.039 118.115 120.200 -0.076 0.000 2.204 226 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 226 E C 1.828 178.475 176.600 0.078 0.000 0.989 226 E CA 0.945 57.371 56.400 0.044 0.000 0.824 226 E CB -0.742 29.043 29.700 0.142 0.000 0.756 226 E HN 0.548 nan 8.360 nan 0.000 0.477 227 H N -1.173 117.783 119.070 -0.190 0.000 2.357 227 H HA -0.030 4.526 4.556 -0.000 0.000 0.301 227 H C 1.186 176.474 175.328 -0.065 0.000 1.082 227 H CA 0.857 56.747 56.048 -0.263 0.000 1.342 227 H CB 0.057 29.609 29.762 -0.349 0.000 1.389 227 H HN 0.225 nan 8.280 nan 0.000 0.511 228 C N 0.695 120.051 119.300 0.092 0.000 2.536 228 C HA 0.103 4.563 4.460 -0.000 0.000 0.285 228 C C 1.985 177.071 174.990 0.160 0.000 1.371 228 C CA 0.226 59.312 59.018 0.113 0.000 1.675 228 C CB -1.454 26.326 27.740 0.067 0.000 1.689 228 C HN 0.515 nan 8.230 nan 0.000 0.589 229 I N -0.335 120.333 120.570 0.163 0.000 3.971 229 I HA 0.053 4.223 4.170 -0.000 0.000 0.303 229 I C 2.371 178.595 176.117 0.178 0.000 1.233 229 I CA 0.446 61.844 61.300 0.164 0.000 1.346 229 I CB -0.212 37.876 38.000 0.147 0.000 1.273 229 I HN 0.083 nan 8.210 nan 0.000 0.448 230 E N 1.160 121.493 120.200 0.221 0.000 2.274 230 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 230 E C 1.959 178.686 176.600 0.211 0.000 0.996 230 E CA 1.339 57.885 56.400 0.242 0.000 0.840 230 E CB -0.140 29.800 29.700 0.401 0.000 0.772 230 E HN 0.497 nan 8.360 nan 0.000 0.491 231 Y N -0.177 120.191 120.300 0.114 0.000 2.176 231 Y HA -0.044 4.506 4.550 -0.000 0.000 0.291 231 Y C 1.850 177.842 175.900 0.153 0.000 1.122 231 Y CA 1.353 59.514 58.100 0.102 0.000 1.128 231 Y CB -0.537 37.958 38.460 0.057 0.000 1.005 231 Y HN -0.084 nan 8.280 nan 0.000 0.509 232 V N 2.211 122.047 119.914 -0.130 0.000 3.140 232 V HA -0.244 3.876 4.120 -0.000 0.000 0.269 232 V C 2.373 178.526 176.094 0.099 0.000 1.149 232 V CA 2.182 64.425 62.300 -0.094 0.000 1.162 232 V CB -0.910 30.967 31.823 0.089 0.000 0.756 232 V HN 0.451 nan 8.190 nan 0.000 0.523 233 R N -0.315 120.217 120.500 0.052 0.000 2.064 233 R HA 0.130 4.470 4.340 -0.000 0.000 0.210 233 R C 2.257 178.576 176.300 0.031 0.000 1.221 233 R CA 0.647 56.783 56.100 0.060 0.000 1.055 233 R CB -0.219 30.107 30.300 0.043 0.000 0.946 233 R HN 0.385 nan 8.270 nan 0.000 0.459 234 M N 0.721 120.343 119.600 0.038 0.000 2.374 234 M HA -0.028 4.452 4.480 -0.000 0.000 0.264 234 M C 0.742 177.076 176.300 0.056 0.000 1.067 234 M CA 1.460 56.794 55.300 0.055 0.000 1.103 234 M CB 0.331 32.989 32.600 0.096 0.000 1.402 234 M HN 0.303 nan 8.290 nan 0.000 0.444 235 L N -2.509 118.702 121.223 -0.021 0.000 3.112 235 L HA 0.074 4.414 4.340 -0.000 0.000 0.166 235 L C 2.109 178.929 176.870 -0.084 0.000 1.170 235 L CA 0.009 54.836 54.840 -0.023 0.000 0.854 235 L CB -1.063 41.055 42.059 0.098 0.000 1.424 235 L HN 0.033 nan 8.230 nan 0.000 0.542 236 Q N 0.323 119.879 119.800 -0.407 0.000 2.242 236 Q HA -0.290 4.050 4.340 -0.000 0.000 0.211 236 Q C 1.991 178.067 176.000 0.127 0.000 0.992 236 Q CA 2.617 58.335 55.803 -0.142 0.000 0.889 236 Q CB -0.136 28.457 28.738 -0.242 0.000 0.913 236 Q HN 0.618 nan 8.270 nan 0.000 0.422 237 W N 0.865 122.142 121.300 -0.039 0.000 2.444 237 W HA 0.030 4.690 4.660 -0.000 0.000 0.308 237 W C -1.276 175.159 176.519 -0.140 0.000 1.183 237 W CA 0.697 57.957 57.345 -0.142 0.000 1.340 237 W CB -1.117 28.255 29.460 -0.146 0.000 1.138 237 W HN 0.071 nan 8.180 nan 0.000 0.510 238 P HA -0.008 nan 4.420 nan 0.000 0.259 238 P C 0.563 177.883 177.300 0.033 0.000 1.480 238 P CA 1.168 64.360 63.100 0.153 0.000 0.842 238 P CB -0.074 31.731 31.700 0.175 0.000 1.513 239 K N 0.610 121.001 120.400 -0.016 0.000 2.443 239 K HA 0.066 4.386 4.320 -0.000 0.000 0.200 239 K C 1.192 177.754 176.600 -0.063 0.000 1.278 239 K CA 0.740 57.020 56.287 -0.010 0.000 0.925 239 K CB 0.462 32.987 32.500 0.042 0.000 1.225 239 K HN 0.014 nan 8.250 nan 0.000 0.514 240 E N -0.213 119.905 120.200 -0.137 0.000 2.630 240 E HA 0.116 4.466 4.350 -0.000 0.000 0.218 240 E C -0.396 175.981 176.600 -0.372 0.000 0.977 240 E CA -0.186 56.105 56.400 -0.181 0.000 1.038 240 E CB 0.368 30.018 29.700 -0.083 0.000 1.051 240 E HN -0.011 nan 8.360 nan 0.000 0.487 241 Q N 0.642 120.113 119.800 -0.548 0.000 2.416 241 Q HA -0.184 4.156 4.340 -0.000 0.000 0.319 241 Q C -1.825 173.592 176.000 -0.971 0.000 1.318 241 Q CA 0.692 56.033 55.803 -0.770 0.000 0.915 241 Q CB -1.665 26.825 28.738 -0.413 0.000 1.184 241 Q HN 0.310 nan 8.270 nan 0.000 0.444 242 P HA -0.250 nan 4.420 nan 0.000 0.236 242 P C 0.069 176.670 177.300 -1.166 0.000 1.128 242 P CA 1.795 64.040 63.100 -1.425 0.000 0.971 242 P CB -0.014 30.230 31.700 -2.426 0.000 0.766 243 F N -1.604 117.906 119.950 -0.733 0.000 2.660 243 F HA 0.485 5.012 4.527 -0.000 0.000 0.352 243 F C 0.886 176.515 175.800 -0.286 0.000 1.257 243 F CA -0.184 57.593 58.000 -0.372 0.000 1.200 243 F CB 0.989 39.832 39.000 -0.262 0.000 1.473 243 F HN -0.019 nan 8.300 nan 0.000 0.561 244 G N 1.869 110.581 108.800 -0.148 0.000 2.825 244 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.684 244 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.684 244 G C -0.390 174.422 174.900 -0.146 0.000 1.528 244 G CA -0.936 44.099 45.100 -0.108 0.000 0.963 244 G HN 0.514 nan 8.290 nan 0.000 0.577 245 E N 0.097 120.234 120.200 -0.105 0.000 2.410 245 E HA 0.417 4.767 4.350 -0.000 0.000 0.255 245 E C 1.648 178.223 176.600 -0.042 0.000 1.194 245 E CA 0.625 56.971 56.400 -0.091 0.000 0.955 245 E CB 0.313 29.976 29.700 -0.063 0.000 0.988 245 E HN 2.044 nan 8.360 nan 0.000 0.461 246 G N 0.200 108.989 108.800 -0.018 0.000 2.494 246 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.252 246 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.252 246 G C 0.445 175.381 174.900 0.059 0.000 1.025 246 G CA 0.598 45.710 45.100 0.020 0.000 0.638 246 G HN 0.393 nan 8.290 nan 0.000 0.544 247 V N 3.576 123.527 119.914 0.061 0.000 2.446 247 V HA 0.327 4.447 4.120 -0.000 0.000 0.276 247 V C -0.935 175.328 176.094 0.282 0.000 1.030 247 V CA -0.698 61.683 62.300 0.135 0.000 1.033 247 V CB 0.876 32.772 31.823 0.120 0.000 0.993 247 V HN 0.226 nan 8.190 nan 0.000 0.477 248 P HA 0.207 nan 4.420 nan 0.000 0.275 248 P C -0.614 176.834 177.300 0.247 0.000 1.266 248 P CA -0.677 62.573 63.100 0.251 0.000 0.793 248 P CB 0.478 32.239 31.700 0.103 0.000 1.074 249 L N 1.496 122.601 121.223 -0.197 0.000 2.283 249 L HA 0.290 4.630 4.340 -0.000 0.000 0.287 249 L C -0.312 176.476 176.870 -0.137 0.000 1.073 249 L CA -0.022 54.476 54.840 -0.570 0.000 0.822 249 L CB -0.562 40.774 42.059 -1.205 0.000 1.186 249 L HN 0.139 nan 8.230 nan 0.000 0.436 250 D N 3.593 124.031 120.400 0.064 0.000 2.468 250 D HA 0.238 4.878 4.640 -0.000 0.000 0.218 250 D C 1.340 177.503 176.300 -0.229 0.000 1.155 250 D CA 0.226 54.113 54.000 -0.189 0.000 0.924 250 D CB 1.221 41.816 40.800 -0.343 0.000 1.029 250 D HN 0.780 nan 8.370 nan 0.000 0.515 251 G N 3.180 111.890 108.800 -0.151 0.000 2.516 251 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.221 251 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.221 251 G C 1.154 175.989 174.900 -0.108 0.000 1.107 251 G CA 0.381 45.410 45.100 -0.118 0.000 0.747 251 G HN 0.416 nan 8.290 nan 0.000 0.567 252 D N -0.012 120.312 120.400 -0.126 0.000 2.249 252 D HA 0.005 4.645 4.640 -0.000 0.000 0.205 252 D C 0.842 177.078 176.300 -0.108 0.000 0.962 252 D CA 0.090 54.030 54.000 -0.100 0.000 0.860 252 D CB -0.051 40.694 40.800 -0.091 0.000 0.955 252 D HN 0.173 nan 8.370 nan 0.000 0.505 253 D N 0.777 121.052 120.400 -0.209 0.000 2.389 253 D HA -0.019 4.621 4.640 -0.000 0.000 0.263 253 D C -1.697 174.580 176.300 -0.038 0.000 1.255 253 D CA -1.453 52.412 54.000 -0.225 0.000 0.914 253 D CB 1.620 42.034 40.800 -0.644 0.000 1.116 253 D HN -0.047 nan 8.370 nan 0.000 0.502 254 P HA -0.124 nan 4.420 nan 0.000 0.222 254 P C 0.600 178.047 177.300 0.245 0.000 1.142 254 P CA 1.085 64.281 63.100 0.161 0.000 0.788 254 P CB 0.355 32.125 31.700 0.117 0.000 0.767 255 E N -1.964 118.380 120.200 0.239 0.000 2.102 255 E HA -0.093 4.257 4.350 -0.000 0.000 0.190 255 E C 1.879 178.831 176.600 0.587 0.000 0.971 255 E CA 0.442 57.070 56.400 0.381 0.000 0.821 255 E CB -0.516 29.378 29.700 0.323 0.000 0.777 255 E HN 0.518 nan 8.360 nan 0.000 0.460 256 H N 0.640 119.920 119.070 0.348 0.000 2.422 256 H HA -0.082 4.474 4.556 -0.000 0.000 0.298 256 H C 2.187 177.765 175.328 0.416 0.000 1.098 256 H CA 0.780 57.084 56.048 0.427 0.000 1.315 256 H CB 0.050 29.903 29.762 0.152 0.000 1.382 256 H HN 0.130 nan 8.280 nan 0.000 0.523 257 I N 0.645 121.469 120.570 0.424 0.000 2.286 257 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 257 I C 2.718 179.129 176.117 0.491 0.000 1.104 257 I CA 0.879 62.373 61.300 0.323 0.000 1.397 257 I CB -0.151 37.926 38.000 0.128 0.000 1.072 257 I HN 0.161 nan 8.210 nan 0.000 0.417 258 Q N 0.664 120.804 119.800 0.566 0.000 2.096 258 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 258 Q C 1.803 178.095 176.000 0.486 0.000 0.982 258 Q CA 1.986 58.126 55.803 0.562 0.000 0.850 258 Q CB -0.515 28.471 28.738 0.413 0.000 0.901 258 Q HN 0.530 nan 8.270 nan 0.000 0.422 259 W N 0.417 121.930 121.300 0.355 0.000 2.282 259 W HA -0.178 4.482 4.660 -0.000 0.000 0.325 259 W C 1.900 178.575 176.519 0.261 0.000 1.211 259 W CA 2.285 59.800 57.345 0.283 0.000 1.209 259 W CB -0.743 28.923 29.460 0.343 0.000 1.185 259 W HN 0.175 nan 8.180 nan 0.000 0.454 260 I N 0.293 121.254 120.570 0.651 0.000 2.182 260 I HA -0.414 3.756 4.170 -0.000 0.000 0.248 260 I C 2.441 178.674 176.117 0.192 0.000 1.073 260 I CA 2.064 63.607 61.300 0.404 0.000 1.335 260 I CB -1.030 37.222 38.000 0.419 0.000 1.031 260 I HN 0.135 nan 8.210 nan 0.000 0.420 261 F N 1.920 121.938 119.950 0.112 0.000 2.031 261 F HA -0.293 4.234 4.527 -0.000 0.000 0.295 261 F C 2.655 178.458 175.800 0.005 0.000 1.133 261 F CA 2.215 60.268 58.000 0.089 0.000 1.188 261 F CB -0.981 38.145 39.000 0.211 0.000 0.974 261 F HN -0.012 nan 8.300 nan 0.000 0.473 262 Q N 0.900 120.525 119.800 -0.293 0.000 2.096 262 Q HA -0.230 4.110 4.340 -0.000 0.000 0.208 262 Q C 2.104 177.844 176.000 -0.433 0.000 0.993 262 Q CA 2.263 57.781 55.803 -0.476 0.000 0.862 262 Q CB -0.278 28.280 28.738 -0.301 0.000 0.915 262 Q HN 0.259 nan 8.270 nan 0.000 0.416 263 K N -0.575 119.541 120.400 -0.475 0.000 2.025 263 K HA 0.021 4.341 4.320 -0.000 0.000 0.207 263 K C 2.291 178.774 176.600 -0.196 0.000 1.049 263 K CA 1.348 57.367 56.287 -0.447 0.000 0.933 263 K CB -0.577 31.458 32.500 -0.776 0.000 0.714 263 K HN 0.137 nan 8.250 nan 0.000 0.438 264 S N 1.830 117.467 115.700 -0.106 0.000 2.382 264 S HA -0.062 4.408 4.470 -0.000 0.000 0.228 264 S C 2.063 176.655 174.600 -0.014 0.000 1.027 264 S CA 0.780 58.992 58.200 0.020 0.000 0.991 264 S CB -0.238 63.033 63.200 0.118 0.000 0.823 264 S HN 0.183 nan 8.310 nan 0.000 0.469 265 L N 1.223 122.361 121.223 -0.143 0.000 2.042 265 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 265 L C 2.526 179.342 176.870 -0.089 0.000 1.076 265 L CA 1.423 56.166 54.840 -0.162 0.000 0.749 265 L CB -0.455 41.368 42.059 -0.392 0.000 0.893 265 L HN 0.410 nan 8.230 nan 0.000 0.432 266 E N -0.708 119.428 120.200 -0.106 0.000 2.006 266 E HA -0.262 4.088 4.350 -0.000 0.000 0.192 266 E C 2.162 178.776 176.600 0.023 0.000 0.993 266 E CA 0.877 57.244 56.400 -0.056 0.000 0.808 266 E CB -0.179 29.470 29.700 -0.086 0.000 0.764 266 E HN 0.189 nan 8.360 nan 0.000 0.449 267 R N 1.268 121.807 120.500 0.066 0.000 2.134 267 R HA -0.241 4.099 4.340 -0.000 0.000 0.248 267 R C 2.097 178.507 176.300 0.182 0.000 1.143 267 R CA 1.914 58.111 56.100 0.161 0.000 0.957 267 R CB -0.788 29.643 30.300 0.218 0.000 0.867 267 R HN 0.231 nan 8.270 nan 0.000 0.441 268 A N -0.881 122.006 122.820 0.111 0.000 1.883 268 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 268 A C 2.297 179.949 177.584 0.113 0.000 1.186 268 A CA 2.106 54.204 52.037 0.102 0.000 0.624 268 A CB -1.250 17.787 19.000 0.063 0.000 0.822 268 A HN 0.501 nan 8.150 nan 0.000 0.444 269 S N -0.662 115.077 115.700 0.064 0.000 2.359 269 S HA -0.310 4.160 4.470 -0.000 0.000 0.223 269 S C 2.147 176.773 174.600 0.044 0.000 1.039 269 S CA 1.984 60.207 58.200 0.037 0.000 1.042 269 S CB -0.509 62.691 63.200 0.000 0.000 0.915 269 S HN 0.659 nan 8.310 nan 0.000 0.439 270 Q N -1.204 118.628 119.800 0.053 0.000 2.197 270 Q HA -0.184 4.156 4.340 -0.000 0.000 0.211 270 Q C 0.752 176.668 176.000 -0.141 0.000 0.993 270 Q CA 1.918 57.693 55.803 -0.047 0.000 0.883 270 Q CB -0.213 28.503 28.738 -0.038 0.000 0.916 270 Q HN 0.776 nan 8.270 nan 0.000 0.418 271 Y N 0.405 120.694 120.300 -0.018 0.000 2.660 271 Y HA 0.129 4.679 4.550 -0.000 0.000 0.254 271 Y C -0.025 175.868 175.900 -0.012 0.000 1.176 271 Y CA -0.523 57.567 58.100 -0.017 0.000 1.195 271 Y CB -0.064 38.385 38.460 -0.019 0.000 1.190 271 Y HN 0.201 nan 8.280 nan 0.000 0.535 272 N N 0.624 119.391 118.700 0.112 0.000 2.686 272 N HA -0.269 4.471 4.740 -0.000 0.000 0.261 272 N C -0.839 174.709 175.510 0.064 0.000 1.001 272 N CA 0.723 53.812 53.050 0.065 0.000 0.764 272 N CB -1.655 36.853 38.487 0.036 0.000 0.898 272 N HN 0.491 nan 8.380 nan 0.000 0.544 273 I N 0.812 121.422 120.570 0.067 0.000 2.382 273 I HA 0.290 4.460 4.170 -0.000 0.000 0.286 273 I C 0.818 176.955 176.117 0.034 0.000 1.002 273 I CA -0.725 60.599 61.300 0.039 0.000 1.135 273 I CB 1.229 39.243 38.000 0.023 0.000 1.288 273 I HN 0.045 nan 8.210 nan 0.000 0.448 274 R N 3.987 124.504 120.500 0.027 0.000 2.500 274 R HA 0.664 5.004 4.340 -0.000 0.000 0.277 274 R C 0.718 177.037 176.300 0.032 0.000 1.026 274 R CA -0.301 55.819 56.100 0.034 0.000 1.058 274 R CB 1.015 31.334 30.300 0.031 0.000 1.078 274 R HN 0.923 nan 8.270 nan 0.000 0.509 275 G N 0.242 109.071 108.800 0.049 0.000 2.200 275 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.145 275 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.145 275 G C -0.452 174.492 174.900 0.074 0.000 1.021 275 G CA -0.657 44.471 45.100 0.047 0.000 0.720 275 G HN 0.358 nan 8.290 nan 0.000 0.494 276 V N 1.616 121.600 119.914 0.117 0.000 2.385 276 V HA 0.752 4.872 4.120 -0.000 0.000 0.269 276 V C 0.528 176.798 176.094 0.293 0.000 1.043 276 V CA 0.485 62.900 62.300 0.192 0.000 0.906 276 V CB 1.212 33.161 31.823 0.210 0.000 0.995 276 V HN 0.396 nan 8.190 nan 0.000 0.467 277 T N 2.898 117.564 114.554 0.186 0.000 2.906 277 T HA 0.384 4.734 4.350 -0.000 0.000 0.295 277 T C 0.400 174.928 174.700 -0.288 0.000 1.075 277 T CA -0.338 61.782 62.100 0.033 0.000 1.005 277 T CB 1.309 70.185 68.868 0.014 0.000 1.136 277 T HN 0.531 nan 8.240 nan 0.000 0.498 278 Y N 3.179 122.969 120.300 -0.850 0.000 2.151 278 Y HA -0.125 4.425 4.550 -0.000 0.000 0.284 278 Y C 2.629 178.332 175.900 -0.328 0.000 1.166 278 Y CA 2.474 60.066 58.100 -0.846 0.000 1.163 278 Y CB 0.008 38.055 38.460 -0.688 0.000 0.974 278 Y HN 0.669 nan 8.280 nan 0.000 0.511 279 R N -0.416 119.972 120.500 -0.186 0.000 2.092 279 R HA -0.159 4.181 4.340 -0.000 0.000 0.231 279 R C 2.135 178.350 176.300 -0.142 0.000 1.119 279 R CA 1.560 57.571 56.100 -0.148 0.000 0.970 279 R CB -0.533 29.741 30.300 -0.042 0.000 0.864 279 R HN 0.452 nan 8.270 nan 0.000 0.440 280 L N 0.750 121.915 121.223 -0.097 0.000 2.156 280 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 280 L C 1.710 178.550 176.870 -0.050 0.000 1.095 280 L CA 1.872 56.685 54.840 -0.044 0.000 0.770 280 L CB -0.512 41.549 42.059 0.004 0.000 0.914 280 L HN 0.123 nan 8.230 nan 0.000 0.439 281 T N -0.762 113.735 114.554 -0.095 0.000 2.674 281 T HA -0.206 4.144 4.350 -0.000 0.000 0.265 281 T C 1.803 176.432 174.700 -0.118 0.000 1.039 281 T CA 1.696 63.759 62.100 -0.061 0.000 1.150 281 T CB -0.203 68.641 68.868 -0.041 0.000 0.864 281 T HN 0.442 nan 8.240 nan 0.000 0.427 282 Q N 0.332 119.983 119.800 -0.249 0.000 2.096 282 Q HA -0.097 4.243 4.340 -0.000 0.000 0.204 282 Q C 2.727 178.658 176.000 -0.116 0.000 0.982 282 Q CA 1.471 57.145 55.803 -0.216 0.000 0.850 282 Q CB -0.592 27.976 28.738 -0.283 0.000 0.901 282 Q HN 0.627 nan 8.270 nan 0.000 0.422 283 G N 0.346 109.089 108.800 -0.094 0.000 2.491 283 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 283 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 283 G C 1.505 176.389 174.900 -0.026 0.000 1.180 283 G CA 1.226 46.296 45.100 -0.051 0.000 0.774 283 G HN 0.245 nan 8.290 nan 0.000 0.562 284 V N 0.318 120.231 119.914 -0.001 0.000 2.295 284 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 284 V C 2.997 179.096 176.094 0.009 0.000 1.049 284 V CA 1.512 63.834 62.300 0.036 0.000 1.024 284 V CB -0.578 31.303 31.823 0.098 0.000 0.648 284 V HN 0.246 nan 8.190 nan 0.000 0.447 285 V N 0.097 120.005 119.914 -0.011 0.000 2.214 285 V HA -0.267 3.853 4.120 -0.000 0.000 0.245 285 V C 2.072 178.135 176.094 -0.051 0.000 1.047 285 V CA 2.109 64.389 62.300 -0.034 0.000 0.998 285 V CB -0.655 31.138 31.823 -0.050 0.000 0.633 285 V HN 0.516 nan 8.190 nan 0.000 0.446 286 K N -0.066 120.298 120.400 -0.061 0.000 2.522 286 K HA 0.086 4.406 4.320 -0.000 0.000 0.194 286 K C 0.048 176.618 176.600 -0.050 0.000 1.026 286 K CA -0.215 56.036 56.287 -0.060 0.000 1.119 286 K CB 0.033 32.495 32.500 -0.064 0.000 0.856 286 K HN 0.205 nan 8.250 nan 0.000 0.513 287 R N 0.977 121.450 120.500 -0.045 0.000 3.109 287 R HA -0.191 4.149 4.340 -0.000 0.000 0.241 287 R C -0.274 176.003 176.300 -0.039 0.000 0.882 287 R CA 0.603 56.677 56.100 -0.043 0.000 0.604 287 R CB -2.645 27.624 30.300 -0.052 0.000 1.040 287 R HN 0.381 nan 8.270 nan 0.000 0.480 288 I N 1.203 121.750 120.570 -0.038 0.000 2.648 288 I HA -0.006 4.164 4.170 -0.000 0.000 0.284 288 I C 1.394 177.493 176.117 -0.031 0.000 1.153 288 I CA 0.403 61.681 61.300 -0.036 0.000 1.426 288 I CB 0.402 38.377 38.000 -0.042 0.000 1.381 288 I HN 0.106 nan 8.210 nan 0.000 0.571 289 I N 8.053 128.605 120.570 -0.030 0.000 2.339 289 I HA 0.286 4.456 4.170 -0.000 0.000 0.290 289 I C -2.007 174.083 176.117 -0.046 0.000 0.994 289 I CA -1.904 59.377 61.300 -0.031 0.000 1.191 289 I CB 1.162 39.150 38.000 -0.020 0.000 1.343 289 I HN 0.319 nan 8.210 nan 0.000 0.458 290 P HA 0.161 nan 4.420 nan 0.000 0.264 290 P C -0.921 176.306 177.300 -0.122 0.000 1.183 290 P CA 0.035 63.079 63.100 -0.094 0.000 0.763 290 P CB 0.610 32.238 31.700 -0.120 0.000 0.807 291 A N 2.106 124.858 122.820 -0.113 0.000 2.520 291 A HA 0.675 4.995 4.320 -0.000 0.000 0.298 291 A C -0.730 176.804 177.584 -0.084 0.000 1.051 291 A CA -0.521 51.454 52.037 -0.103 0.000 0.690 291 A CB 1.387 20.357 19.000 -0.050 0.000 1.281 291 A HN 0.378 nan 8.150 nan 0.000 0.402 292 V N -1.210 118.660 119.914 -0.074 0.000 3.102 292 V HA 0.887 5.007 4.120 -0.000 0.000 0.312 292 V C 1.039 177.149 176.094 0.028 0.000 1.135 292 V CA -0.091 62.207 62.300 -0.003 0.000 1.022 292 V CB 1.041 32.894 31.823 0.049 0.000 1.056 292 V HN 1.775 nan 8.190 nan 0.000 0.436 293 A N 1.231 124.078 122.820 0.045 0.000 1.873 293 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 293 A C 2.386 179.988 177.584 0.029 0.000 1.186 293 A CA 2.617 54.675 52.037 0.036 0.000 0.616 293 A CB -1.198 17.816 19.000 0.024 0.000 0.823 293 A HN 1.740 nan 8.150 nan 0.000 0.442 294 S N -0.280 115.453 115.700 0.056 0.000 2.378 294 S HA -0.270 4.200 4.470 -0.000 0.000 0.229 294 S C 1.875 176.495 174.600 0.034 0.000 1.052 294 S CA 2.412 60.646 58.200 0.056 0.000 1.084 294 S CB -1.613 61.665 63.200 0.131 0.000 0.950 294 S HN 0.521 nan 8.310 nan 0.000 0.440 295 T N 2.910 117.521 114.554 0.096 0.000 2.708 295 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 295 T C 1.855 176.529 174.700 -0.043 0.000 1.037 295 T CA 1.511 63.649 62.100 0.063 0.000 1.146 295 T CB -0.623 68.329 68.868 0.140 0.000 0.865 295 T HN 0.470 nan 8.240 nan 0.000 0.435 296 N N 1.360 120.050 118.700 -0.017 0.000 2.188 296 N HA -0.001 4.739 4.740 -0.000 0.000 0.184 296 N C 2.184 177.661 175.510 -0.055 0.000 1.018 296 N CA 1.215 54.247 53.050 -0.030 0.000 0.858 296 N CB -0.469 38.017 38.487 -0.001 0.000 0.989 296 N HN 0.419 nan 8.380 nan 0.000 0.426 297 A N 1.054 123.840 122.820 -0.057 0.000 1.908 297 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 297 A C 2.554 180.059 177.584 -0.133 0.000 1.181 297 A CA 1.346 53.333 52.037 -0.082 0.000 0.627 297 A CB -0.783 18.161 19.000 -0.092 0.000 0.818 297 A HN 0.090 nan 8.150 nan 0.000 0.445 298 V N 0.592 120.387 119.914 -0.197 0.000 2.223 298 V HA -0.254 3.866 4.120 -0.000 0.000 0.244 298 V C 2.447 178.372 176.094 -0.282 0.000 1.045 298 V CA 1.877 63.986 62.300 -0.317 0.000 1.000 298 V CB -0.721 30.724 31.823 -0.631 0.000 0.635 298 V HN 0.511 nan 8.190 nan 0.000 0.445 299 I N 0.728 121.141 120.570 -0.262 0.000 2.194 299 I HA -0.284 3.886 4.170 -0.000 0.000 0.246 299 I C 2.672 178.707 176.117 -0.137 0.000 1.093 299 I CA 2.177 63.365 61.300 -0.187 0.000 1.355 299 I CB -1.691 36.233 38.000 -0.128 0.000 1.046 299 I HN 0.352 nan 8.210 nan 0.000 0.413 300 A N 0.638 123.393 122.820 -0.109 0.000 1.972 300 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 300 A C 2.557 180.089 177.584 -0.087 0.000 1.169 300 A CA 1.741 53.730 52.037 -0.081 0.000 0.635 300 A CB -0.673 18.298 19.000 -0.049 0.000 0.810 300 A HN 0.424 nan 8.150 nan 0.000 0.446 301 A N -0.536 122.220 122.820 -0.107 0.000 1.972 301 A HA 0.033 4.353 4.320 -0.000 0.000 0.219 301 A C 2.196 179.715 177.584 -0.108 0.000 1.169 301 A CA 1.782 53.756 52.037 -0.105 0.000 0.635 301 A CB -0.708 18.218 19.000 -0.124 0.000 0.810 301 A HN 0.359 nan 8.150 nan 0.000 0.446 302 V N -0.927 118.912 119.914 -0.126 0.000 2.255 302 V HA -0.271 3.849 4.120 -0.000 0.000 0.243 302 V C 2.635 178.670 176.094 -0.098 0.000 1.038 302 V CA 1.893 64.120 62.300 -0.122 0.000 1.008 302 V CB -1.232 30.504 31.823 -0.145 0.000 0.645 302 V HN 0.690 nan 8.190 nan 0.000 0.449 303 C N 0.684 119.925 119.300 -0.099 0.000 2.401 303 C HA -0.154 4.306 4.460 -0.000 0.000 0.276 303 C C 3.129 178.079 174.990 -0.067 0.000 1.233 303 C CA 0.853 59.819 59.018 -0.086 0.000 1.753 303 C CB -1.490 26.197 27.740 -0.088 0.000 2.029 303 C HN 0.637 nan 8.230 nan 0.000 0.478 304 A N 0.333 123.116 122.820 -0.060 0.000 1.865 304 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 304 A C 2.208 179.807 177.584 0.025 0.000 1.191 304 A CA 2.656 54.673 52.037 -0.033 0.000 0.623 304 A CB -1.320 17.664 19.000 -0.027 0.000 0.826 304 A HN 0.545 nan 8.150 nan 0.000 0.444 305 T N -0.134 114.417 114.554 -0.004 0.000 2.803 305 T HA -0.115 4.235 4.350 -0.000 0.000 0.269 305 T C 1.816 176.566 174.700 0.083 0.000 1.052 305 T CA 1.564 63.677 62.100 0.022 0.000 1.136 305 T CB -0.223 68.601 68.868 -0.073 0.000 0.864 305 T HN 0.442 nan 8.240 nan 0.000 0.467 306 E N 0.622 120.835 120.200 0.022 0.000 2.072 306 E HA -0.022 4.328 4.350 -0.000 0.000 0.190 306 E C 2.495 179.119 176.600 0.040 0.000 0.982 306 E CA 0.514 56.925 56.400 0.018 0.000 0.803 306 E CB -0.665 29.017 29.700 -0.031 0.000 0.755 306 E HN 0.302 nan 8.360 nan 0.000 0.453 307 V N 1.288 121.215 119.914 0.021 0.000 2.332 307 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 307 V C 2.172 178.349 176.094 0.139 0.000 1.055 307 V CA 1.798 64.092 62.300 -0.010 0.000 1.038 307 V CB -0.593 31.127 31.823 -0.172 0.000 0.651 307 V HN 0.158 nan 8.190 nan 0.000 0.450 308 F N 1.019 121.045 119.950 0.128 0.000 2.095 308 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 308 F C 2.397 178.282 175.800 0.140 0.000 1.104 308 F CA 1.995 60.138 58.000 0.239 0.000 1.232 308 F CB -0.274 38.817 39.000 0.152 0.000 0.987 308 F HN 0.012 nan 8.300 nan 0.000 0.475 309 K N 0.321 120.805 120.400 0.141 0.000 2.009 309 K HA -0.178 4.142 4.320 -0.000 0.000 0.210 309 K C 2.103 178.673 176.600 -0.050 0.000 1.049 309 K CA 2.136 58.453 56.287 0.050 0.000 0.929 309 K CB -0.464 32.108 32.500 0.120 0.000 0.714 309 K HN 0.337 nan 8.250 nan 0.000 0.440 310 I N 0.812 121.370 120.570 -0.020 0.000 2.335 310 I HA -0.284 3.886 4.170 -0.000 0.000 0.251 310 I C 2.393 178.479 176.117 -0.051 0.000 1.129 310 I CA 1.134 62.409 61.300 -0.042 0.000 1.402 310 I CB -0.295 37.695 38.000 -0.017 0.000 1.069 310 I HN 0.186 nan 8.210 nan 0.000 0.424 311 A N 0.341 123.142 122.820 -0.032 0.000 1.975 311 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 311 A C 2.355 179.868 177.584 -0.119 0.000 1.170 311 A CA 1.791 53.820 52.037 -0.013 0.000 0.656 311 A CB -0.681 18.399 19.000 0.132 0.000 0.821 311 A HN 0.481 nan 8.150 nan 0.000 0.449 312 T N -5.600 108.790 114.554 -0.272 0.000 3.015 312 T HA 0.182 4.532 4.350 -0.000 0.000 0.250 312 T C 0.835 175.512 174.700 -0.038 0.000 1.057 312 T CA 1.075 63.033 62.100 -0.237 0.000 1.066 312 T CB -0.042 68.505 68.868 -0.536 0.000 0.959 312 T HN 0.649 nan 8.240 nan 0.000 0.488 313 S N 0.340 115.989 115.700 -0.085 0.000 3.361 313 S HA -0.212 4.258 4.470 -0.000 0.000 0.288 313 S C 1.431 176.051 174.600 0.034 0.000 1.269 313 S CA 0.533 58.714 58.200 -0.032 0.000 0.976 313 S CB -1.999 61.208 63.200 0.011 0.000 1.162 313 S HN 1.082 nan 8.310 nan 0.000 0.643 314 A N -0.977 121.795 122.820 -0.079 0.000 2.019 314 A HA 0.276 4.596 4.320 -0.000 0.000 0.219 314 A C 0.524 177.713 177.584 -0.658 0.000 1.164 314 A CA 1.424 53.214 52.037 -0.412 0.000 0.644 314 A CB -0.105 18.886 19.000 -0.015 0.000 0.805 314 A HN 0.696 nan 8.150 nan 0.000 0.449 315 Y N -2.685 117.608 120.300 -0.012 0.000 2.625 315 Y HA 0.520 5.070 4.550 -0.000 0.000 0.338 315 Y C -0.515 175.442 175.900 0.095 0.000 1.123 315 Y CA -1.568 56.559 58.100 0.046 0.000 1.046 315 Y CB 0.950 39.426 38.460 0.027 0.000 1.299 315 Y HN -0.014 nan 8.280 nan 0.000 0.464 316 I N 3.144 123.896 120.570 0.304 0.000 2.556 316 I HA 0.222 4.392 4.170 -0.000 0.000 0.284 316 I C -2.381 173.836 176.117 0.168 0.000 1.114 316 I CA -1.772 59.675 61.300 0.245 0.000 1.418 316 I CB -0.354 37.759 38.000 0.188 0.000 1.394 316 I HN 0.234 nan 8.210 nan 0.000 0.552 317 P HA 0.062 nan 4.420 nan 0.000 0.269 317 P C -0.441 176.879 177.300 0.034 0.000 1.209 317 P CA -0.561 62.576 63.100 0.062 0.000 0.776 317 P CB 0.441 32.165 31.700 0.041 0.000 0.876 318 L N 3.104 124.325 121.223 -0.003 0.000 2.653 318 L HA -0.088 4.252 4.340 -0.000 0.000 0.288 318 L C 1.103 177.953 176.870 -0.033 0.000 1.243 318 L CA 0.671 55.489 54.840 -0.036 0.000 0.906 318 L CB -0.926 41.090 42.059 -0.072 0.000 1.154 318 L HN 0.334 nan 8.230 nan 0.000 0.498 319 N N 3.790 122.467 118.700 -0.038 0.000 2.028 319 N HA -0.132 4.608 4.740 -0.000 0.000 0.181 319 N C 0.704 176.173 175.510 -0.068 0.000 1.107 319 N CA 2.178 55.207 53.050 -0.035 0.000 0.920 319 N CB -0.083 38.385 38.487 -0.032 0.000 1.029 319 N HN 0.855 nan 8.380 nan 0.000 0.430 320 N N -2.381 116.248 118.700 -0.117 0.000 2.210 320 N HA 0.097 4.837 4.740 -0.000 0.000 0.203 320 N C -0.827 174.604 175.510 -0.131 0.000 1.175 320 N CA -0.136 52.840 53.050 -0.124 0.000 0.894 320 N CB 1.440 39.857 38.487 -0.117 0.000 1.041 320 N HN 0.274 nan 8.380 nan 0.000 0.506 321 Y N 0.994 121.032 120.300 -0.436 0.000 2.474 321 Y HA 0.412 4.962 4.550 -0.000 0.000 0.326 321 Y C -2.105 173.590 175.900 -0.342 0.000 1.160 321 Y CA -1.155 56.671 58.100 -0.458 0.000 1.056 321 Y CB 1.422 39.369 38.460 -0.854 0.000 1.330 321 Y HN -0.255 nan 8.280 nan 0.000 0.447 322 L N 6.846 127.783 121.223 -0.475 0.000 2.408 322 L HA 0.852 5.192 4.340 -0.000 0.000 0.268 322 L C -2.022 174.716 176.870 -0.220 0.000 0.986 322 L CA -0.907 53.793 54.840 -0.234 0.000 0.820 322 L CB 1.591 43.528 42.059 -0.204 0.000 1.303 322 L HN 0.554 nan 8.230 nan 0.000 0.411 323 V N 5.631 125.571 119.914 0.043 0.000 2.823 323 V HA 0.685 4.805 4.120 -0.000 0.000 0.312 323 V C -1.581 174.623 176.094 0.183 0.000 1.072 323 V CA -0.549 61.845 62.300 0.157 0.000 0.937 323 V CB 2.307 34.339 31.823 0.349 0.000 1.013 323 V HN 0.732 nan 8.190 nan 0.000 0.430 324 F N 5.291 125.267 119.950 0.043 0.000 2.569 324 F HA 0.621 5.148 4.527 -0.000 0.000 0.312 324 F C -0.722 175.152 175.800 0.123 0.000 1.109 324 F CA -0.408 57.618 58.000 0.044 0.000 0.919 324 F CB 1.834 40.839 39.000 0.009 0.000 1.211 324 F HN 0.573 nan 8.300 nan 0.000 0.446 325 N N 4.364 122.604 118.700 -0.768 0.000 2.371 325 N HA 0.202 4.942 4.740 -0.000 0.000 0.291 325 N C -0.751 174.334 175.510 -0.708 0.000 1.053 325 N CA -0.510 52.248 53.050 -0.486 0.000 0.870 325 N CB 1.534 39.983 38.487 -0.064 0.000 1.503 325 N HN 0.690 nan 8.380 nan 0.000 0.485 326 D N 2.079 122.232 120.400 -0.411 0.000 2.338 326 D HA 0.010 4.650 4.640 -0.000 0.000 0.208 326 D C 1.940 178.114 176.300 -0.211 0.000 0.997 326 D CA 0.662 54.517 54.000 -0.241 0.000 0.880 326 D CB 0.585 41.389 40.800 0.006 0.000 0.980 326 D HN 0.314 nan 8.370 nan 0.000 0.509 327 V N 0.914 120.752 119.914 -0.127 0.000 2.222 327 V HA -0.210 3.910 4.120 -0.000 0.000 0.252 327 V C 1.200 177.222 176.094 -0.120 0.000 1.060 327 V CA 1.611 63.840 62.300 -0.117 0.000 1.027 327 V CB -0.322 31.502 31.823 0.001 0.000 0.644 327 V HN 0.134 nan 8.190 nan 0.000 0.448 328 D N -0.116 120.228 120.400 -0.093 0.000 2.485 328 D HA 0.447 5.087 4.640 -0.000 0.000 0.229 328 D C 0.559 176.813 176.300 -0.076 0.000 1.101 328 D CA 1.022 54.974 54.000 -0.080 0.000 0.906 328 D CB 0.405 41.161 40.800 -0.073 0.000 1.019 328 D HN 0.510 nan 8.370 nan 0.000 0.516 329 G N 2.457 111.212 108.800 -0.074 0.000 2.539 329 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.256 329 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.256 329 G C -0.829 174.035 174.900 -0.060 0.000 1.233 329 G CA 0.037 45.107 45.100 -0.050 0.000 0.936 329 G HN 0.523 nan 8.290 nan 0.000 0.571 330 L N -0.721 120.489 121.223 -0.021 0.000 2.408 330 L HA 0.797 5.137 4.340 -0.000 0.000 0.268 330 L C -0.518 176.378 176.870 0.044 0.000 0.986 330 L CA -0.731 54.082 54.840 -0.046 0.000 0.820 330 L CB 2.136 44.221 42.059 0.043 0.000 1.303 330 L HN 0.904 nan 8.230 nan 0.000 0.411 331 Y N 1.236 121.415 120.300 -0.202 0.000 2.513 331 Y HA 0.773 5.323 4.550 -0.000 0.000 0.340 331 Y C -0.956 174.919 175.900 -0.041 0.000 1.055 331 Y CA -0.623 57.426 58.100 -0.086 0.000 1.020 331 Y CB 2.333 40.745 38.460 -0.081 0.000 1.301 331 Y HN 0.688 nan 8.280 nan 0.000 0.453 332 T N 2.466 116.551 114.554 -0.781 0.000 2.933 332 T HA 0.494 4.844 4.350 -0.000 0.000 0.305 332 T C -2.087 172.192 174.700 -0.703 0.000 1.092 332 T CA -0.670 61.105 62.100 -0.542 0.000 1.008 332 T CB 1.688 70.488 68.868 -0.112 0.000 1.102 332 T HN 0.663 nan 8.240 nan 0.000 0.469 333 Y N 1.319 121.337 120.300 -0.469 0.000 2.446 333 Y HA 0.693 5.243 4.550 -0.000 0.000 0.345 333 Y C -0.913 175.036 175.900 0.081 0.000 0.984 333 Y CA -0.798 57.212 58.100 -0.150 0.000 1.058 333 Y CB 2.326 40.823 38.460 0.062 0.000 1.220 333 Y HN 0.959 nan 8.280 nan 0.000 0.455 334 T N 7.849 121.958 114.554 -0.742 0.000 2.879 334 T HA 0.639 4.989 4.350 -0.000 0.000 0.290 334 T C -1.298 173.108 174.700 -0.490 0.000 0.993 334 T CA -0.455 61.379 62.100 -0.443 0.000 0.975 334 T CB 0.614 69.343 68.868 -0.232 0.000 0.981 334 T HN 0.542 nan 8.240 nan 0.000 0.439 335 F N -0.319 119.388 119.950 -0.405 0.000 2.715 335 F HA 0.714 5.241 4.527 -0.000 0.000 0.318 335 F C -0.428 175.342 175.800 -0.050 0.000 1.141 335 F CA -1.355 56.514 58.000 -0.219 0.000 0.950 335 F CB 1.580 40.496 39.000 -0.139 0.000 1.374 335 F HN 0.446 nan 8.300 nan 0.000 0.477 336 E N 1.763 122.013 120.200 0.083 0.000 2.206 336 E HA 0.521 4.871 4.350 -0.000 0.000 0.244 336 E C -0.287 176.345 176.600 0.052 0.000 1.055 336 E CA -0.731 55.659 56.400 -0.017 0.000 0.970 336 E CB 0.540 30.267 29.700 0.046 0.000 1.256 336 E HN 0.941 nan 8.360 nan 0.000 0.456 337 A N 3.834 126.558 122.820 -0.160 0.000 2.616 337 A HA -0.113 4.207 4.320 -0.000 0.000 0.234 337 A C 0.370 177.997 177.584 0.072 0.000 1.024 337 A CA 0.504 52.574 52.037 0.055 0.000 0.758 337 A CB 0.198 19.116 19.000 -0.135 0.000 0.939 337 A HN 0.607 nan 8.150 nan 0.000 0.510 338 E N 1.132 121.396 120.200 0.107 0.000 2.354 338 E HA 0.092 4.442 4.350 -0.000 0.000 0.269 338 E C 0.291 176.916 176.600 0.042 0.000 1.036 338 E CA -0.277 56.163 56.400 0.066 0.000 0.876 338 E CB 0.849 30.586 29.700 0.062 0.000 1.009 338 E HN 0.596 nan 8.360 nan 0.000 0.416 339 R N 3.549 124.069 120.500 0.034 0.000 2.205 339 R HA 0.071 4.411 4.340 -0.000 0.000 0.342 339 R C -0.335 175.981 176.300 0.026 0.000 1.058 339 R CA -0.401 55.716 56.100 0.028 0.000 0.904 339 R CB 0.170 30.485 30.300 0.027 0.000 1.089 339 R HN 0.281 nan 8.270 nan 0.000 0.471 340 K N 3.645 124.060 120.400 0.026 0.000 2.466 340 K HA -0.095 4.225 4.320 -0.000 0.000 0.278 340 K C 0.402 177.014 176.600 0.019 0.000 1.048 340 K CA 0.311 56.611 56.287 0.022 0.000 1.088 340 K CB 0.611 33.124 32.500 0.023 0.000 0.884 340 K HN 0.586 nan 8.250 nan 0.000 0.478 341 E N 1.499 121.707 120.200 0.013 0.000 2.274 341 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 341 E C 0.932 177.536 176.600 0.006 0.000 0.996 341 E CA 1.147 57.552 56.400 0.009 0.000 0.840 341 E CB -0.131 29.571 29.700 0.003 0.000 0.772 341 E HN 0.685 nan 8.360 nan 0.000 0.491 342 N N -0.360 118.344 118.700 0.007 0.000 2.314 342 N HA 0.022 4.762 4.740 -0.000 0.000 0.200 342 N C -0.207 175.320 175.510 0.029 0.000 1.135 342 N CA -0.425 52.631 53.050 0.009 0.000 0.835 342 N CB 0.110 38.596 38.487 -0.002 0.000 0.989 342 N HN -0.046 nan 8.380 nan 0.000 0.478 343 C N 2.723 122.042 119.300 0.031 0.000 2.590 343 C HA 0.072 4.532 4.460 -0.000 0.000 0.411 343 C C -0.431 174.595 174.990 0.059 0.000 1.420 343 C CA -1.375 57.669 59.018 0.042 0.000 1.643 343 C CB 0.717 28.478 27.740 0.034 0.000 2.528 343 C HN 0.450 nan 8.230 nan 0.000 0.606 344 P HA -0.080 nan 4.420 nan 0.000 0.215 344 P C 1.319 178.641 177.300 0.037 0.000 1.157 344 P CA 2.651 65.819 63.100 0.115 0.000 0.863 344 P CB -0.041 31.767 31.700 0.180 0.000 0.787 345 A N 0.239 123.073 122.820 0.023 0.000 1.845 345 A HA -0.198 4.122 4.320 -0.000 0.000 0.215 345 A C 2.545 180.128 177.584 -0.000 0.000 1.195 345 A CA 2.357 54.391 52.037 -0.005 0.000 0.616 345 A CB -1.655 17.342 19.000 -0.004 0.000 0.832 345 A HN 0.457 nan 8.150 nan 0.000 0.443 346 C N -0.714 118.596 119.300 0.016 0.000 2.865 346 C HA 0.444 4.904 4.460 -0.000 0.000 0.280 346 C C 1.531 176.545 174.990 0.039 0.000 1.255 346 C CA 0.184 59.219 59.018 0.030 0.000 1.705 346 C CB -1.499 26.260 27.740 0.031 0.000 2.080 346 C HN 0.591 nan 8.230 nan 0.000 0.591 347 S N 1.295 117.009 115.700 0.024 0.000 2.592 347 S HA 0.322 4.792 4.470 -0.000 0.000 0.271 347 S C 0.804 175.391 174.600 -0.023 0.000 1.326 347 S CA -0.151 58.053 58.200 0.006 0.000 1.024 347 S CB 0.782 63.988 63.200 0.010 0.000 0.921 347 S HN 0.610 nan 8.310 nan 0.000 0.527 348 Q N 0.701 120.457 119.800 -0.074 0.000 1.806 348 Q HA 0.007 4.347 4.340 -0.000 0.000 0.277 348 Q C 0.348 176.297 176.000 -0.084 0.000 0.993 348 Q CA 0.994 56.715 55.803 -0.137 0.000 0.888 348 Q CB -0.863 27.751 28.738 -0.207 0.000 0.941 348 Q HN 0.669 nan 8.270 nan 0.000 0.420 349 L N 2.274 123.456 121.223 -0.069 0.000 2.525 349 L HA 0.065 4.405 4.340 -0.000 0.000 0.278 349 L C -1.955 174.920 176.870 0.008 0.000 1.218 349 L CA -0.699 54.121 54.840 -0.034 0.000 0.878 349 L CB -1.187 40.854 42.059 -0.031 0.000 1.127 349 L HN 0.125 nan 8.230 nan 0.000 0.492 350 P HA -0.033 nan 4.420 nan 0.000 0.267 350 P C -0.819 176.579 177.300 0.164 0.000 1.195 350 P CA -0.008 63.153 63.100 0.101 0.000 0.773 350 P CB 0.283 32.041 31.700 0.095 0.000 0.837 351 Q N 1.829 121.839 119.800 0.349 0.000 2.296 351 Q HA 0.152 4.492 4.340 -0.000 0.000 0.262 351 Q C 0.024 176.055 176.000 0.053 0.000 0.981 351 Q CA -0.248 55.670 55.803 0.191 0.000 0.905 351 Q CB 0.356 29.209 28.738 0.192 0.000 1.186 351 Q HN 0.403 nan 8.270 nan 0.000 0.399 352 N N 2.902 121.549 118.700 -0.089 0.000 2.492 352 N HA 0.100 4.840 4.740 -0.000 0.000 0.262 352 N C -0.595 174.767 175.510 -0.248 0.000 1.202 352 N CA 0.431 53.363 53.050 -0.196 0.000 0.926 352 N CB 0.799 39.011 38.487 -0.457 0.000 1.078 352 N HN 0.409 nan 8.380 nan 0.000 0.454 353 I N 2.999 123.439 120.570 -0.217 0.000 2.495 353 I HA 0.071 4.241 4.170 -0.000 0.000 0.277 353 I C -0.051 175.818 176.117 -0.412 0.000 1.045 353 I CA -0.609 60.432 61.300 -0.432 0.000 1.135 353 I CB 0.975 38.683 38.000 -0.487 0.000 1.241 353 I HN 0.213 nan 8.210 nan 0.000 0.469 354 Q N 6.114 125.668 119.800 -0.410 0.000 2.263 354 Q HA 0.335 4.675 4.340 -0.000 0.000 0.289 354 Q C -0.954 174.854 176.000 -0.320 0.000 1.061 354 Q CA 0.826 56.495 55.803 -0.223 0.000 0.927 354 Q CB 0.879 29.514 28.738 -0.172 0.000 1.154 354 Q HN 0.442 nan 8.270 nan 0.000 0.378 355 F N 0.313 120.300 119.950 0.062 0.000 2.670 355 F HA 0.040 4.567 4.527 -0.000 0.000 0.332 355 F C -0.218 175.642 175.800 0.100 0.000 1.179 355 F CA -1.047 56.982 58.000 0.048 0.000 1.076 355 F CB 1.667 40.687 39.000 0.035 0.000 1.322 355 F HN 0.460 nan 8.300 nan 0.000 0.515 356 S N 3.203 119.047 115.700 0.240 0.000 2.430 356 S HA 0.212 4.682 4.470 -0.000 0.000 0.282 356 S C -2.115 172.498 174.600 0.020 0.000 1.186 356 S CA -1.113 57.136 58.200 0.082 0.000 1.060 356 S CB 1.065 64.286 63.200 0.035 0.000 0.966 356 S HN 0.393 nan 8.310 nan 0.000 0.501 357 P HA -0.188 nan 4.420 nan 0.000 0.222 357 P C 1.060 178.320 177.300 -0.067 0.000 1.139 357 P CA 1.478 64.537 63.100 -0.068 0.000 0.794 357 P CB -0.209 31.346 31.700 -0.242 0.000 0.750 358 S N -2.858 112.801 115.700 -0.069 0.000 2.503 358 S HA 0.305 4.775 4.470 -0.000 0.000 0.215 358 S C 1.056 175.610 174.600 -0.077 0.000 1.003 358 S CA -0.097 58.064 58.200 -0.065 0.000 0.910 358 S CB -0.314 62.852 63.200 -0.057 0.000 0.790 358 S HN 0.126 nan 8.310 nan 0.000 0.514 359 A N 2.875 125.633 122.820 -0.104 0.000 2.425 359 A HA 0.421 4.741 4.320 -0.000 0.000 0.249 359 A C 0.701 178.170 177.584 -0.190 0.000 1.084 359 A CA -0.462 51.477 52.037 -0.164 0.000 0.781 359 A CB 0.255 19.100 19.000 -0.259 0.000 1.019 359 A HN 0.198 nan 8.150 nan 0.000 0.490 360 K N 0.411 120.712 120.400 -0.165 0.000 2.174 360 K HA -0.040 4.280 4.320 -0.000 0.000 0.247 360 K C 1.136 177.636 176.600 -0.167 0.000 1.056 360 K CA 0.087 56.292 56.287 -0.137 0.000 0.799 360 K CB 0.038 32.475 32.500 -0.105 0.000 1.066 360 K HN 0.725 nan 8.250 nan 0.000 0.530 361 L N 0.503 121.659 121.223 -0.110 0.000 2.269 361 L HA -0.083 4.257 4.340 -0.000 0.000 0.200 361 L C 2.298 179.140 176.870 -0.046 0.000 1.069 361 L CA 0.445 55.240 54.840 -0.075 0.000 0.804 361 L CB -0.132 41.898 42.059 -0.048 0.000 0.987 361 L HN 0.413 nan 8.230 nan 0.000 0.468 362 Q N 0.682 120.452 119.800 -0.049 0.000 2.217 362 Q HA -0.274 4.066 4.340 -0.000 0.000 0.209 362 Q C 1.039 177.049 176.000 0.018 0.000 0.988 362 Q CA 1.563 57.361 55.803 -0.007 0.000 0.878 362 Q CB -0.266 28.457 28.738 -0.024 0.000 0.909 362 Q HN 0.628 nan 8.270 nan 0.000 0.424 363 E N 0.046 120.216 120.200 -0.050 0.000 2.322 363 E HA 0.013 4.363 4.350 -0.000 0.000 0.195 363 E C 0.763 177.325 176.600 -0.064 0.000 1.198 363 E CA -0.189 56.175 56.400 -0.062 0.000 1.132 363 E CB 0.316 29.916 29.700 -0.168 0.000 1.213 363 E HN 0.075 nan 8.360 nan 0.000 0.450 364 V N -1.014 118.952 119.914 0.088 0.000 3.154 364 V HA -0.079 4.041 4.120 -0.000 0.000 0.221 364 V C 1.289 177.591 176.094 0.347 0.000 1.504 364 V CA -0.019 62.456 62.300 0.291 0.000 1.243 364 V CB 0.107 32.048 31.823 0.196 0.000 1.115 364 V HN 0.190 nan 8.190 nan 0.000 0.481 365 L N 0.978 122.339 121.223 0.231 0.000 2.109 365 L HA 0.007 4.347 4.340 -0.000 0.000 0.207 365 L C 1.837 178.825 176.870 0.197 0.000 1.086 365 L CA 2.188 57.164 54.840 0.227 0.000 0.760 365 L CB -0.470 41.721 42.059 0.220 0.000 0.910 365 L HN 0.308 nan 8.230 nan 0.000 0.437 366 D N -1.827 118.681 120.400 0.180 0.000 2.317 366 D HA -0.172 4.468 4.640 -0.000 0.000 0.211 366 D C 1.731 178.148 176.300 0.196 0.000 0.966 366 D CA 0.792 54.884 54.000 0.153 0.000 0.876 366 D CB -0.018 40.853 40.800 0.118 0.000 0.927 366 D HN 0.476 nan 8.370 nan 0.000 0.519 367 Y N 1.796 122.173 120.300 0.128 0.000 2.153 367 Y HA -0.059 4.491 4.550 -0.000 0.000 0.289 367 Y C 2.063 178.025 175.900 0.103 0.000 1.127 367 Y CA 1.077 59.253 58.100 0.128 0.000 1.131 367 Y CB -0.560 38.019 38.460 0.197 0.000 0.995 367 Y HN -0.174 nan 8.280 nan 0.000 0.505 368 L N -0.369 120.832 121.223 -0.036 0.000 2.017 368 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 368 L C 2.274 179.104 176.870 -0.066 0.000 1.073 368 L CA 2.031 56.791 54.840 -0.134 0.000 0.745 368 L CB -1.152 40.972 42.059 0.109 0.000 0.894 368 L HN 0.215 nan 8.230 nan 0.000 0.432 369 T N -0.547 114.020 114.554 0.021 0.000 2.881 369 T HA -0.091 4.259 4.350 -0.000 0.000 0.270 369 T C 1.580 176.283 174.700 0.006 0.000 1.068 369 T CA 1.181 63.296 62.100 0.025 0.000 1.131 369 T CB -0.114 68.788 68.868 0.058 0.000 0.871 369 T HN 0.340 nan 8.240 nan 0.000 0.479 370 N N 0.335 119.036 118.700 0.001 0.000 2.463 370 N HA 0.082 4.822 4.740 -0.000 0.000 0.183 370 N C 0.738 176.236 175.510 -0.021 0.000 1.064 370 N CA 0.093 53.148 53.050 0.008 0.000 0.879 370 N CB -0.032 38.483 38.487 0.048 0.000 1.148 370 N HN 0.184 nan 8.380 nan 0.000 0.451 371 S N 1.562 117.207 115.700 -0.092 0.000 2.946 371 S HA 0.042 4.512 4.470 -0.000 0.000 0.349 371 S C 1.460 176.016 174.600 -0.073 0.000 1.189 371 S CA 0.016 58.145 58.200 -0.118 0.000 1.285 371 S CB -0.029 62.924 63.200 -0.411 0.000 1.010 371 S HN 0.347 nan 8.310 nan 0.000 0.538 372 A N 4.670 127.481 122.820 -0.016 0.000 2.093 372 A HA -0.117 4.203 4.320 -0.000 0.000 0.222 372 A C 2.487 180.071 177.584 0.001 0.000 1.162 372 A CA 2.147 54.186 52.037 0.003 0.000 0.655 372 A CB -0.996 18.016 19.000 0.021 0.000 0.805 372 A HN 0.869 nan 8.150 nan 0.000 0.461 373 S N -1.163 114.527 115.700 -0.016 0.000 2.406 373 S HA 0.025 4.494 4.470 -0.000 0.000 0.228 373 S C 0.899 175.491 174.600 -0.013 0.000 1.020 373 S CA 1.304 59.499 58.200 -0.008 0.000 0.965 373 S CB -0.260 62.935 63.200 -0.010 0.000 0.798 373 S HN 0.955 nan 8.310 nan 0.000 0.488 374 L N 1.182 122.372 121.223 -0.054 0.000 3.165 374 L HA 0.454 4.794 4.340 -0.000 0.000 0.327 374 L C -0.359 176.482 176.870 -0.048 0.000 1.294 374 L CA -0.708 54.113 54.840 -0.033 0.000 0.838 374 L CB -0.262 41.788 42.059 -0.015 0.000 1.274 374 L HN 0.047 nan 8.230 nan 0.000 0.590 375 Q N 0.686 120.464 119.800 -0.036 0.000 2.436 375 Q HA 0.173 4.513 4.340 -0.000 0.000 0.292 375 Q C -0.436 175.557 176.000 -0.012 0.000 1.229 375 Q CA 0.716 56.502 55.803 -0.028 0.000 1.008 375 Q CB -0.231 28.502 28.738 -0.010 0.000 1.220 375 Q HN 0.587 nan 8.270 nan 0.000 0.432 376 M N 2.269 121.863 119.600 -0.010 0.000 2.249 376 M HA 0.133 4.613 4.480 -0.000 0.000 0.351 376 M C 0.924 177.231 176.300 0.011 0.000 1.180 376 M CA -0.564 54.740 55.300 0.008 0.000 1.127 376 M CB 1.303 33.916 32.600 0.021 0.000 1.546 376 M HN 0.413 nan 8.290 nan 0.000 0.461 377 K N 1.363 121.770 120.400 0.012 0.000 2.021 377 K HA 0.026 4.346 4.320 -0.000 0.000 0.205 377 K C 0.643 177.253 176.600 0.017 0.000 1.047 377 K CA 1.242 57.536 56.287 0.011 0.000 0.943 377 K CB 0.252 32.756 32.500 0.007 0.000 0.725 377 K HN 0.578 nan 8.250 nan 0.000 0.439 378 S N 1.392 117.100 115.700 0.013 0.000 2.605 378 S HA 0.351 4.821 4.470 -0.000 0.000 0.142 378 S C -2.870 171.724 174.600 -0.010 0.000 1.452 378 S CA -1.352 56.852 58.200 0.006 0.000 1.240 378 S CB 0.333 63.530 63.200 -0.004 0.000 1.538 378 S HN 0.116 nan 8.310 nan 0.000 0.394 379 P HA 0.456 nan 4.420 nan 0.000 0.271 379 P C -0.806 176.468 177.300 -0.043 0.000 1.244 379 P CA -0.290 62.813 63.100 0.005 0.000 0.793 379 P CB 0.801 32.535 31.700 0.056 0.000 0.984 380 A N 2.158 124.954 122.820 -0.041 0.000 2.530 380 A HA 0.541 4.861 4.320 -0.000 0.000 0.279 380 A C -0.237 177.337 177.584 -0.016 0.000 1.109 380 A CA -0.682 51.301 52.037 -0.090 0.000 0.763 380 A CB 0.123 19.048 19.000 -0.124 0.000 1.257 380 A HN 0.381 nan 8.150 nan 0.000 0.424 381 I N 2.525 123.123 120.570 0.046 0.000 2.365 381 I HA 0.570 4.740 4.170 -0.000 0.000 0.291 381 I C 0.663 176.828 176.117 0.079 0.000 1.004 381 I CA -0.146 61.207 61.300 0.088 0.000 1.311 381 I CB 1.738 39.836 38.000 0.163 0.000 1.401 381 I HN 0.676 nan 8.210 nan 0.000 0.491 382 T N 2.397 116.984 114.554 0.056 0.000 2.903 382 T HA 0.900 5.250 4.350 -0.000 0.000 0.299 382 T C -0.643 174.086 174.700 0.048 0.000 1.093 382 T CA -0.727 61.403 62.100 0.050 0.000 1.002 382 T CB 2.220 71.103 68.868 0.026 0.000 1.127 382 T HN 0.799 nan 8.240 nan 0.000 0.488 383 A N 0.690 123.539 122.820 0.048 0.000 2.504 383 A HA 0.832 5.152 4.320 -0.000 0.000 0.285 383 A C -0.076 177.528 177.584 0.034 0.000 1.261 383 A CA -0.956 51.107 52.037 0.044 0.000 0.741 383 A CB 0.892 19.927 19.000 0.058 0.000 1.327 383 A HN 0.860 nan 8.150 nan 0.000 0.441 384 T N 2.055 116.627 114.554 0.031 0.000 3.315 384 T HA 0.254 4.604 4.350 -0.000 0.000 0.275 384 T C 1.225 175.942 174.700 0.028 0.000 1.598 384 T CA -0.206 61.908 62.100 0.024 0.000 1.368 384 T CB -0.488 68.391 68.868 0.019 0.000 1.079 384 T HN 0.459 nan 8.240 nan 0.000 0.703 385 L N 1.253 122.495 121.223 0.032 0.000 2.151 385 L HA -0.158 4.182 4.340 -0.000 0.000 0.215 385 L C 1.720 178.607 176.870 0.028 0.000 1.084 385 L CA 1.937 56.797 54.840 0.034 0.000 0.764 385 L CB -0.161 41.919 42.059 0.035 0.000 0.891 385 L HN 0.694 nan 8.230 nan 0.000 0.435 386 E N -1.706 118.508 120.200 0.023 0.000 3.364 386 E HA 0.416 4.766 4.350 -0.000 0.000 0.305 386 E C 0.630 177.240 176.600 0.016 0.000 1.141 386 E CA 0.354 56.765 56.400 0.020 0.000 1.079 386 E CB -0.346 29.365 29.700 0.019 0.000 1.343 386 E HN 0.356 nan 8.360 nan 0.000 0.391 387 G N 1.158 109.967 108.800 0.015 0.000 2.180 387 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.263 387 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.263 387 G C 0.326 175.233 174.900 0.012 0.000 0.989 387 G CA 1.067 46.175 45.100 0.013 0.000 0.692 387 G HN 0.997 nan 8.290 nan 0.000 0.526 388 K N -0.236 120.172 120.400 0.015 0.000 2.507 388 K HA 0.413 4.733 4.320 -0.000 0.000 0.251 388 K C -0.778 175.832 176.600 0.017 0.000 0.943 388 K CA -1.119 55.177 56.287 0.015 0.000 0.794 388 K CB 1.318 33.827 32.500 0.015 0.000 1.188 388 K HN -0.038 nan 8.250 nan 0.000 0.428 389 N N 3.206 121.915 118.700 0.015 0.000 2.744 389 N HA 0.010 4.750 4.740 -0.000 0.000 0.290 389 N C -0.278 175.244 175.510 0.020 0.000 1.206 389 N CA 0.039 53.099 53.050 0.017 0.000 1.119 389 N CB 0.102 38.596 38.487 0.012 0.000 1.449 389 N HN 0.385 nan 8.380 nan 0.000 0.514 390 R N 0.082 120.598 120.500 0.026 0.000 2.582 390 R HA 0.173 4.513 4.340 -0.000 0.000 0.271 390 R C -0.171 176.152 176.300 0.038 0.000 1.078 390 R CA 0.064 56.183 56.100 0.031 0.000 1.127 390 R CB 0.389 30.709 30.300 0.034 0.000 1.038 390 R HN 0.065 nan 8.270 nan 0.000 0.500 391 T N 6.241 120.820 114.554 0.042 0.000 3.316 391 T HA 0.189 4.539 4.350 -0.000 0.000 0.341 391 T C 1.355 176.105 174.700 0.083 0.000 1.397 391 T CA -0.276 61.854 62.100 0.051 0.000 1.085 391 T CB -0.158 68.733 68.868 0.038 0.000 1.160 391 T HN 0.480 nan 8.240 nan 0.000 0.694 392 L N 1.772 123.052 121.223 0.094 0.000 2.211 392 L HA -0.109 4.231 4.340 -0.000 0.000 0.216 392 L C 0.586 177.587 176.870 0.219 0.000 1.092 392 L CA 1.471 56.386 54.840 0.125 0.000 0.767 392 L CB -0.378 41.754 42.059 0.120 0.000 0.894 392 L HN 0.597 nan 8.230 nan 0.000 0.437 393 Y N -1.755 118.565 120.300 0.034 0.000 2.823 393 Y HA 0.478 5.028 4.550 -0.000 0.000 0.377 393 Y C -1.731 174.189 175.900 0.033 0.000 1.158 393 Y CA -1.902 56.218 58.100 0.033 0.000 1.269 393 Y CB 0.596 39.078 38.460 0.037 0.000 1.444 393 Y HN -0.205 nan 8.280 nan 0.000 0.497 394 L N 2.759 123.573 121.223 -0.681 0.000 2.838 394 L HA 0.543 4.883 4.340 -0.000 0.000 0.266 394 L C -0.849 175.573 176.870 -0.746 0.000 1.040 394 L CA -0.091 54.419 54.840 -0.551 0.000 0.906 394 L CB 2.236 44.169 42.059 -0.210 0.000 1.501 394 L HN 0.779 nan 8.230 nan 0.000 0.407 395 Q N -0.437 119.110 119.800 -0.423 0.000 2.113 395 Q HA 0.223 4.563 4.340 -0.000 0.000 0.225 395 Q C 0.439 176.371 176.000 -0.114 0.000 0.786 395 Q CA 0.581 56.225 55.803 -0.265 0.000 0.989 395 Q CB 0.681 29.290 28.738 -0.215 0.000 1.174 395 Q HN 0.874 nan 8.270 nan 0.000 0.470 396 S N 0.181 115.820 115.700 -0.102 0.000 2.380 396 S HA -0.108 4.362 4.470 -0.000 0.000 0.217 396 S C 0.831 175.410 174.600 -0.035 0.000 1.036 396 S CA 1.368 59.535 58.200 -0.054 0.000 1.050 396 S CB -0.337 62.836 63.200 -0.046 0.000 1.016 396 S HN 0.429 nan 8.310 nan 0.000 0.419 397 V N 1.714 121.610 119.914 -0.030 0.000 2.348 397 V HA 0.391 4.511 4.120 -0.000 0.000 0.270 397 V C 1.385 177.478 176.094 -0.002 0.000 1.037 397 V CA -0.257 62.035 62.300 -0.013 0.000 0.872 397 V CB 0.040 31.858 31.823 -0.009 0.000 1.002 397 V HN 0.634 nan 8.190 nan 0.000 0.464 398 T N 2.921 117.479 114.554 0.008 0.000 2.572 398 T HA -0.418 3.932 4.350 -0.000 0.000 0.258 398 T C 2.021 176.742 174.700 0.035 0.000 1.154 398 T CA 2.883 64.998 62.100 0.025 0.000 1.157 398 T CB -1.501 67.381 68.868 0.024 0.000 0.856 398 T HN 1.506 nan 8.240 nan 0.000 0.443 399 S N 2.532 118.248 115.700 0.026 0.000 2.429 399 S HA -0.246 4.224 4.470 -0.000 0.000 0.251 399 S C 2.061 176.687 174.600 0.042 0.000 1.104 399 S CA 2.102 60.319 58.200 0.029 0.000 1.130 399 S CB -1.247 61.964 63.200 0.020 0.000 1.000 399 S HN 0.710 nan 8.310 nan 0.000 0.449 400 I N 2.218 122.813 120.570 0.041 0.000 2.584 400 I HA -0.068 4.102 4.170 -0.000 0.000 0.255 400 I C 2.115 178.305 176.117 0.122 0.000 1.145 400 I CA 1.217 62.553 61.300 0.060 0.000 1.462 400 I CB -0.570 37.448 38.000 0.030 0.000 1.102 400 I HN 0.442 nan 8.210 nan 0.000 0.433 401 E N 1.333 121.608 120.200 0.125 0.000 2.482 401 E HA -0.122 4.228 4.350 -0.000 0.000 0.200 401 E C 0.929 177.700 176.600 0.285 0.000 1.147 401 E CA 0.637 57.218 56.400 0.302 0.000 0.912 401 E CB -0.316 29.496 29.700 0.187 0.000 0.938 401 E HN 0.554 nan 8.360 nan 0.000 0.519 402 E N -0.077 120.221 120.200 0.163 0.000 2.475 402 E HA 0.193 4.543 4.350 -0.000 0.000 0.205 402 E C 1.700 178.341 176.600 0.068 0.000 0.822 402 E CA -0.273 56.181 56.400 0.090 0.000 1.240 402 E CB 0.116 29.853 29.700 0.062 0.000 1.222 402 E HN 0.058 nan 8.360 nan 0.000 0.581 403 R N 0.979 121.526 120.500 0.078 0.000 2.073 403 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 403 R C 2.447 178.786 176.300 0.065 0.000 1.134 403 R CA 2.090 58.226 56.100 0.060 0.000 0.952 403 R CB -0.458 29.877 30.300 0.058 0.000 0.850 403 R HN 0.203 nan 8.270 nan 0.000 0.433 404 T N -1.696 112.929 114.554 0.117 0.000 3.054 404 T HA 0.031 4.381 4.350 -0.000 0.000 0.259 404 T C 1.827 176.529 174.700 0.004 0.000 1.092 404 T CA 0.141 62.315 62.100 0.123 0.000 1.121 404 T CB 0.012 69.043 68.868 0.271 0.000 0.912 404 T HN 0.151 nan 8.240 nan 0.000 0.489 405 R N 2.023 122.499 120.500 -0.041 0.000 2.133 405 R HA -0.124 4.216 4.340 -0.000 0.000 0.245 405 R C -0.801 175.386 176.300 -0.188 0.000 1.137 405 R CA 2.192 58.144 56.100 -0.246 0.000 0.947 405 R CB -1.341 28.896 30.300 -0.105 0.000 0.865 405 R HN 0.334 nan 8.270 nan 0.000 0.437 406 P HA -0.119 nan 4.420 nan 0.000 0.217 406 P C 0.023 177.280 177.300 -0.071 0.000 1.148 406 P CA 1.623 64.683 63.100 -0.066 0.000 0.828 406 P CB -0.234 31.447 31.700 -0.032 0.000 0.783 407 N N -0.955 117.705 118.700 -0.065 0.000 2.519 407 N HA -0.079 4.661 4.740 -0.000 0.000 0.186 407 N C 1.483 176.947 175.510 -0.077 0.000 1.062 407 N CA 0.190 53.212 53.050 -0.046 0.000 0.910 407 N CB -0.424 38.058 38.487 -0.007 0.000 0.958 407 N HN 0.182 nan 8.380 nan 0.000 0.445 408 L N 0.156 121.290 121.223 -0.148 0.000 2.201 408 L HA -0.077 4.263 4.340 -0.000 0.000 0.212 408 L C 1.816 178.621 176.870 -0.108 0.000 1.105 408 L CA 0.851 55.589 54.840 -0.170 0.000 0.775 408 L CB 0.040 41.929 42.059 -0.284 0.000 0.913 408 L HN 0.105 nan 8.230 nan 0.000 0.440 409 S N -1.417 114.230 115.700 -0.088 0.000 2.528 409 S HA 0.042 4.512 4.470 -0.000 0.000 0.219 409 S C 1.008 175.575 174.600 -0.055 0.000 0.985 409 S CA 0.102 58.262 58.200 -0.066 0.000 0.914 409 S CB 0.161 63.328 63.200 -0.055 0.000 0.776 409 S HN 0.255 nan 8.310 nan 0.000 0.526 410 K N 1.522 121.892 120.400 -0.050 0.000 2.462 410 K HA 0.240 4.560 4.320 -0.000 0.000 0.257 410 K C 0.845 177.419 176.600 -0.043 0.000 1.062 410 K CA 0.376 56.641 56.287 -0.037 0.000 0.923 410 K CB 0.059 32.545 32.500 -0.023 0.000 1.210 410 K HN 0.366 nan 8.250 nan 0.000 0.502 411 T N -3.593 110.942 114.554 -0.032 0.000 2.618 411 T HA 0.308 4.658 4.350 -0.000 0.000 0.286 411 T C 1.485 176.182 174.700 -0.005 0.000 1.027 411 T CA -0.908 61.170 62.100 -0.037 0.000 1.063 411 T CB 0.068 68.909 68.868 -0.045 0.000 1.440 411 T HN 0.315 nan 8.240 nan 0.000 0.505 412 L N 0.781 122.010 121.223 0.011 0.000 1.948 412 L HA 0.039 4.379 4.340 -0.000 0.000 0.212 412 L C 3.533 180.439 176.870 0.061 0.000 1.074 412 L CA 2.236 57.118 54.840 0.071 0.000 0.753 412 L CB -1.248 40.893 42.059 0.136 0.000 0.888 412 L HN 0.961 nan 8.230 nan 0.000 0.432 413 K N 0.226 120.643 120.400 0.027 0.000 2.097 413 K HA -0.207 4.113 4.320 -0.000 0.000 0.205 413 K C 1.884 178.490 176.600 0.010 0.000 1.050 413 K CA 1.663 57.959 56.287 0.016 0.000 0.938 413 K CB -0.910 31.578 32.500 -0.021 0.000 0.718 413 K HN 0.295 nan 8.250 nan 0.000 0.442 414 E N -0.200 119.999 120.200 -0.001 0.000 2.333 414 E HA -0.074 4.276 4.350 -0.000 0.000 0.200 414 E C 1.375 177.979 176.600 0.005 0.000 1.010 414 E CA 0.934 57.332 56.400 -0.004 0.000 0.841 414 E CB -0.225 29.466 29.700 -0.015 0.000 0.757 414 E HN 0.589 nan 8.360 nan 0.000 0.508 415 L N -2.397 118.836 121.223 0.017 0.000 2.817 415 L HA 0.309 4.649 4.340 -0.000 0.000 0.248 415 L C 1.073 177.963 176.870 0.034 0.000 1.133 415 L CA 0.292 55.147 54.840 0.025 0.000 0.935 415 L CB 0.724 42.802 42.059 0.032 0.000 1.266 415 L HN 0.309 nan 8.230 nan 0.000 0.535 416 G N 0.887 109.710 108.800 0.038 0.000 2.131 416 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.201 416 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.201 416 G C -0.405 174.532 174.900 0.062 0.000 1.000 416 G CA -0.498 44.628 45.100 0.043 0.000 0.680 416 G HN 0.057 nan 8.290 nan 0.000 0.514 417 L N 0.941 122.215 121.223 0.084 0.000 2.270 417 L HA 0.576 4.916 4.340 -0.000 0.000 0.286 417 L C 0.679 177.665 176.870 0.193 0.000 1.059 417 L CA -0.533 54.377 54.840 0.117 0.000 0.839 417 L CB 1.704 43.839 42.059 0.126 0.000 1.221 417 L HN 0.091 nan 8.230 nan 0.000 0.431 418 V N 4.748 124.761 119.914 0.165 0.000 2.184 418 V HA 0.194 4.314 4.120 -0.000 0.000 0.262 418 V C 0.136 176.303 176.094 0.121 0.000 1.209 418 V CA -0.779 61.674 62.300 0.256 0.000 1.070 418 V CB 0.230 32.148 31.823 0.158 0.000 1.244 418 V HN 0.876 nan 8.190 nan 0.000 0.477 419 D N 4.439 124.802 120.400 -0.062 0.000 2.505 419 D HA 0.186 4.826 4.640 -0.000 0.000 0.229 419 D C 0.967 176.987 176.300 -0.467 0.000 1.215 419 D CA 1.282 54.972 54.000 -0.517 0.000 0.880 419 D CB 0.887 41.046 40.800 -1.069 0.000 1.228 419 D HN 0.923 nan 8.370 nan 0.000 0.497 420 G N 1.244 109.833 108.800 -0.351 0.000 2.370 420 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.174 420 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.174 420 G C -0.060 174.773 174.900 -0.113 0.000 1.002 420 G CA 0.192 45.153 45.100 -0.232 0.000 0.730 420 G HN 0.914 nan 8.290 nan 0.000 0.497 421 Q N 1.355 121.089 119.800 -0.110 0.000 2.294 421 Q HA 0.614 4.954 4.340 -0.000 0.000 0.257 421 Q C -0.195 175.808 176.000 0.006 0.000 0.955 421 Q CA -0.456 55.326 55.803 -0.035 0.000 0.936 421 Q CB 1.100 29.829 28.738 -0.015 0.000 1.188 421 Q HN 0.479 nan 8.270 nan 0.000 0.420 422 E N 2.996 123.208 120.200 0.020 0.000 2.404 422 E HA 0.237 4.587 4.350 -0.000 0.000 0.261 422 E C -0.534 176.097 176.600 0.051 0.000 1.074 422 E CA -0.124 56.300 56.400 0.041 0.000 0.917 422 E CB 0.740 30.450 29.700 0.017 0.000 0.965 422 E HN 0.515 nan 8.360 nan 0.000 0.433 423 L N 1.013 122.276 121.223 0.068 0.000 2.386 423 L HA 0.500 4.840 4.340 -0.000 0.000 0.271 423 L C -0.459 176.402 176.870 -0.016 0.000 0.993 423 L CA -1.160 53.720 54.840 0.067 0.000 0.819 423 L CB 1.878 44.035 42.059 0.164 0.000 1.294 423 L HN 0.529 nan 8.230 nan 0.000 0.414 424 A N 3.442 126.255 122.820 -0.012 0.000 2.310 424 A HA 0.607 4.927 4.320 -0.000 0.000 0.300 424 A C -0.356 177.190 177.584 -0.064 0.000 1.269 424 A CA -0.327 51.678 52.037 -0.053 0.000 0.909 424 A CB 0.216 19.200 19.000 -0.026 0.000 1.144 424 A HN 0.408 nan 8.150 nan 0.000 0.540 425 V N 2.196 122.023 119.914 -0.145 0.000 2.384 425 V HA 0.707 4.827 4.120 -0.000 0.000 0.287 425 V C 0.414 176.443 176.094 -0.108 0.000 1.020 425 V CA -0.247 61.978 62.300 -0.125 0.000 0.850 425 V CB 0.991 32.675 31.823 -0.232 0.000 0.987 425 V HN 1.105 nan 8.190 nan 0.000 0.436 426 A N 3.434 126.218 122.820 -0.060 0.000 2.374 426 A HA 0.917 5.237 4.320 -0.000 0.000 0.317 426 A C -1.033 176.535 177.584 -0.027 0.000 1.094 426 A CA -0.388 51.622 52.037 -0.046 0.000 0.765 426 A CB 1.920 20.900 19.000 -0.033 0.000 1.268 426 A HN 0.743 nan 8.150 nan 0.000 0.438 427 D N 0.180 120.574 120.400 -0.010 0.000 2.615 427 D HA 0.357 4.997 4.640 -0.000 0.000 0.267 427 D C 0.599 176.930 176.300 0.051 0.000 1.236 427 D CA -0.345 53.661 54.000 0.010 0.000 0.839 427 D CB 1.930 42.735 40.800 0.008 0.000 1.380 427 D HN 0.149 nan 8.370 nan 0.000 0.433 428 V N 0.627 120.577 119.914 0.061 0.000 2.809 428 V HA -0.078 4.042 4.120 -0.000 0.000 0.256 428 V C 2.168 178.365 176.094 0.172 0.000 1.080 428 V CA 1.782 64.145 62.300 0.106 0.000 1.102 428 V CB -0.543 31.312 31.823 0.054 0.000 0.705 428 V HN 0.613 nan 8.190 nan 0.000 0.475 429 T N -0.563 114.054 114.554 0.105 0.000 2.652 429 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 429 T C 1.049 175.810 174.700 0.101 0.000 1.039 429 T CA 2.090 64.247 62.100 0.095 0.000 1.153 429 T CB -0.065 68.824 68.868 0.036 0.000 0.863 429 T HN 0.575 nan 8.240 nan 0.000 0.428 430 T N 0.718 115.278 114.554 0.010 0.000 2.906 430 T HA 0.409 4.759 4.350 -0.000 0.000 0.295 430 T C -2.266 172.298 174.700 -0.227 0.000 1.061 430 T CA -2.100 59.893 62.100 -0.178 0.000 1.000 430 T CB 2.210 70.979 68.868 -0.165 0.000 1.103 430 T HN -0.128 nan 8.240 nan 0.000 0.486 431 P HA 0.103 nan 4.420 nan 0.000 0.245 431 P C 0.281 177.465 177.300 -0.194 0.000 1.206 431 P CA 0.169 63.085 63.100 -0.308 0.000 0.781 431 P CB 0.444 31.767 31.700 -0.628 0.000 0.994 432 Q N -0.031 119.638 119.800 -0.218 0.000 2.312 432 Q HA 0.278 4.618 4.340 -0.000 0.000 0.236 432 Q C -0.323 175.611 176.000 -0.110 0.000 0.965 432 Q CA 0.228 55.942 55.803 -0.147 0.000 0.894 432 Q CB 0.782 29.430 28.738 -0.150 0.000 1.225 432 Q HN -0.085 nan 8.270 nan 0.000 0.478 433 T N 1.355 115.850 114.554 -0.097 0.000 2.788 433 T HA 0.270 4.620 4.350 -0.000 0.000 0.296 433 T C -0.910 173.705 174.700 -0.142 0.000 1.009 433 T CA -0.383 61.655 62.100 -0.103 0.000 0.949 433 T CB 0.951 69.772 68.868 -0.078 0.000 0.946 433 T HN 0.348 nan 8.240 nan 0.000 0.453 434 V N 6.690 126.482 119.914 -0.203 0.000 2.546 434 V HA 0.568 4.688 4.120 -0.000 0.000 0.284 434 V C -0.575 175.233 176.094 -0.477 0.000 1.050 434 V CA -0.476 61.634 62.300 -0.317 0.000 0.981 434 V CB 0.399 32.006 31.823 -0.360 0.000 0.990 434 V HN 0.722 nan 8.190 nan 0.000 0.474 435 L N 7.149 128.122 121.223 -0.417 0.000 2.331 435 L HA 0.625 4.965 4.340 -0.000 0.000 0.275 435 L C -0.876 175.835 176.870 -0.264 0.000 1.022 435 L CA -0.403 54.246 54.840 -0.319 0.000 0.812 435 L CB 1.792 43.783 42.059 -0.113 0.000 1.257 435 L HN 0.551 nan 8.230 nan 0.000 0.435 436 F N 1.122 121.093 119.950 0.036 0.000 2.612 436 F HA 0.327 4.854 4.527 -0.000 0.000 0.332 436 F C 0.094 175.916 175.800 0.038 0.000 1.167 436 F CA -1.028 56.998 58.000 0.044 0.000 0.970 436 F CB 1.869 40.917 39.000 0.080 0.000 1.234 436 F HN 0.342 nan 8.300 nan 0.000 0.453 437 K N 5.061 125.600 120.400 0.232 0.000 2.336 437 K HA 0.277 4.597 4.320 -0.000 0.000 0.290 437 K C -0.134 176.563 176.600 0.162 0.000 1.067 437 K CA -0.221 56.157 56.287 0.152 0.000 0.962 437 K CB 0.601 33.197 32.500 0.160 0.000 1.008 437 K HN 0.569 nan 8.250 nan 0.000 0.467 438 L N 3.413 124.673 121.223 0.062 0.000 2.514 438 L HA -0.033 4.307 4.340 -0.000 0.000 0.280 438 L C 0.308 177.096 176.870 -0.136 0.000 1.223 438 L CA 0.508 55.347 54.840 -0.002 0.000 0.864 438 L CB -0.022 41.997 42.059 -0.067 0.000 1.118 438 L HN 0.569 nan 8.230 nan 0.000 0.494 439 H N 1.661 120.623 119.070 -0.179 0.000 2.679 439 H HA 0.502 5.058 4.556 -0.000 0.000 0.367 439 H C -1.081 174.289 175.328 0.070 0.000 1.162 439 H CA -0.430 55.512 56.048 -0.177 0.000 1.181 439 H CB 1.661 31.358 29.762 -0.109 0.000 1.693 439 H HN 0.284 nan 8.280 nan 0.000 0.538 440 F N 2.482 122.400 119.950 -0.053 0.000 2.375 440 F HA 0.426 4.953 4.527 -0.000 0.000 0.361 440 F C 0.264 176.075 175.800 0.018 0.000 1.117 440 F CA -0.517 57.475 58.000 -0.013 0.000 1.037 440 F CB 1.372 40.340 39.000 -0.054 0.000 1.192 440 F HN 0.527 nan 8.300 nan 0.000 0.452 441 T N 0.000 114.687 114.554 0.221 0.000 3.816 441 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 441 T CA 0.000 62.163 62.100 0.105 0.000 1.349 441 T CB 0.000 68.924 68.868 0.094 0.000 0.612 441 T HN 0.000 nan 8.240 nan 0.000 0.658