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 3dbl_1_D 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 GTEGFKGNAR 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 TS 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 0.000 176.922 176.870 0.087 0.000 1.165 11 L CA 0.000 54.889 54.840 0.082 0.000 0.813 11 L CB 0.000 42.111 42.059 0.086 0.000 0.961 12 D N 2.387 122.837 120.400 0.083 0.000 2.211 12 D HA 0.091 4.731 4.640 -0.000 0.000 0.130 12 D C -0.618 175.645 176.300 -0.063 0.000 1.065 12 D CA -0.601 53.383 54.000 -0.028 0.000 1.156 12 D CB -0.006 40.808 40.800 0.023 0.000 2.851 12 D HN 0.404 nan 8.370 nan 0.000 0.616 13 W N 2.469 123.756 121.300 -0.022 0.000 1.959 13 W HA 0.413 5.073 4.660 -0.000 0.000 0.352 13 W C 0.149 176.641 176.519 -0.046 0.000 1.348 13 W CA -0.194 57.128 57.345 -0.039 0.000 1.411 13 W CB 0.319 29.741 29.460 -0.064 0.000 1.318 13 W HN 0.283 nan 8.180 nan 0.000 0.669 14 E N 1.292 121.691 120.200 0.332 0.000 2.265 14 E HA 0.264 4.614 4.350 -0.000 0.000 0.272 14 E C 0.967 177.695 176.600 0.213 0.000 1.067 14 E CA 1.358 57.871 56.400 0.188 0.000 0.900 14 E CB 0.539 30.329 29.700 0.149 0.000 1.017 14 E HN 0.860 nan 8.360 nan 0.000 0.431 15 G N 4.905 113.732 108.800 0.045 0.000 2.345 15 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.218 15 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.218 15 G C 1.312 176.126 174.900 -0.142 0.000 1.058 15 G CA 0.416 45.524 45.100 0.013 0.000 0.632 15 G HN 0.575 nan 8.290 nan 0.000 0.508 16 R N 0.056 120.327 120.500 -0.382 0.000 2.261 16 R HA -0.230 4.110 4.340 -0.000 0.000 0.252 16 R C 1.558 177.395 176.300 -0.772 0.000 1.116 16 R CA 2.803 58.380 56.100 -0.872 0.000 0.942 16 R CB -0.488 28.584 30.300 -2.046 0.000 0.932 16 R HN 0.631 nan 8.270 nan 0.000 0.441 17 W N 0.288 121.456 121.300 -0.219 0.000 3.213 17 W HA 0.252 4.912 4.660 -0.000 0.000 0.430 17 W C 1.140 177.635 176.519 -0.039 0.000 0.975 17 W CA -1.086 56.190 57.345 -0.114 0.000 2.015 17 W CB 0.189 29.591 29.460 -0.097 0.000 1.047 17 W HN 0.160 nan 8.180 nan 0.000 0.797 18 N N 0.199 118.935 118.700 0.059 0.000 2.106 18 N HA -0.165 4.574 4.740 -0.000 0.000 0.188 18 N C 1.261 176.915 175.510 0.239 0.000 1.029 18 N CA 1.408 54.520 53.050 0.105 0.000 0.848 18 N CB -0.461 38.049 38.487 0.038 0.000 1.007 18 N HN 0.490 nan 8.380 nan 0.000 0.423 19 H N -0.619 118.540 119.070 0.148 0.000 2.543 19 H HA 0.017 4.573 4.556 -0.000 0.000 0.286 19 H C 1.548 177.058 175.328 0.303 0.000 1.037 19 H CA 0.228 56.386 56.048 0.183 0.000 1.250 19 H CB 0.618 30.465 29.762 0.143 0.000 1.373 19 H HN 0.014 nan 8.280 nan 0.000 0.580 20 V N 0.270 120.431 119.914 0.412 0.000 2.627 20 V HA -0.109 4.011 4.120 -0.000 0.000 0.239 20 V C 2.089 178.452 176.094 0.448 0.000 1.077 20 V CA 0.688 63.239 62.300 0.420 0.000 1.103 20 V CB -0.084 31.937 31.823 0.331 0.000 0.802 20 V HN 0.205 nan 8.190 nan 0.000 0.482 21 K N 0.715 121.300 120.400 0.309 0.000 2.077 21 K HA -0.297 4.022 4.320 -0.000 0.000 0.213 21 K C 2.116 178.822 176.600 0.176 0.000 1.051 21 K CA 2.029 58.448 56.287 0.220 0.000 0.929 21 K CB -0.296 32.302 32.500 0.162 0.000 0.715 21 K HN 0.391 nan 8.250 nan 0.000 0.451 22 K N -0.388 120.063 120.400 0.084 0.000 2.218 22 K HA -0.168 4.151 4.320 -0.000 0.000 0.205 22 K C 1.919 178.415 176.600 -0.173 0.000 1.046 22 K CA 1.498 57.722 56.287 -0.106 0.000 0.933 22 K CB -0.169 32.166 32.500 -0.275 0.000 0.728 22 K HN 0.158 nan 8.250 nan 0.000 0.454 23 F N 0.187 120.273 119.950 0.227 0.000 2.387 23 F HA 0.045 4.572 4.527 -0.000 0.000 0.294 23 F C 1.873 177.873 175.800 0.333 0.000 1.093 23 F CA 0.458 58.620 58.000 0.269 0.000 1.420 23 F CB -0.006 39.240 39.000 0.411 0.000 1.086 23 F HN -0.132 nan 8.300 nan 0.000 0.531 24 L N -0.773 120.745 121.223 0.492 0.000 2.307 24 L HA 0.031 4.371 4.340 -0.000 0.000 0.211 24 L C 1.923 178.952 176.870 0.266 0.000 1.099 24 L CA 0.820 55.910 54.840 0.416 0.000 0.816 24 L CB -0.358 41.854 42.059 0.255 0.000 0.952 24 L HN 0.117 nan 8.230 nan 0.000 0.455 25 E N 0.385 120.704 120.200 0.199 0.000 2.102 25 E HA 0.032 4.382 4.350 -0.000 0.000 0.190 25 E C 0.413 177.082 176.600 0.114 0.000 0.971 25 E CA 0.295 56.759 56.400 0.106 0.000 0.821 25 E CB 0.393 30.137 29.700 0.073 0.000 0.777 25 E HN 0.371 nan 8.360 nan 0.000 0.460 26 R N 1.239 121.819 120.500 0.134 0.000 2.404 26 R HA 0.235 4.575 4.340 -0.000 0.000 0.291 26 R C 0.290 176.707 176.300 0.195 0.000 1.025 26 R CA -0.340 55.826 56.100 0.109 0.000 0.991 26 R CB 1.525 31.844 30.300 0.032 0.000 1.053 26 R HN 0.041 nan 8.270 nan 0.000 0.479 27 S N 0.761 116.565 115.700 0.174 0.000 2.625 27 S HA 0.764 5.234 4.470 -0.000 0.000 0.262 27 S C 0.442 175.071 174.600 0.049 0.000 1.223 27 S CA -0.123 58.203 58.200 0.210 0.000 0.993 27 S CB 1.322 64.618 63.200 0.159 0.000 1.051 27 S HN 0.817 nan 8.310 nan 0.000 0.562 28 G N -0.976 107.822 108.800 -0.003 0.000 2.361 28 G HA2 0.447 4.407 3.960 -0.000 0.000 0.299 28 G HA3 0.447 4.407 3.960 -0.000 0.000 0.299 28 G C -2.868 171.991 174.900 -0.068 0.000 1.544 28 G CA -0.671 44.407 45.100 -0.036 0.000 0.860 28 G HN 0.438 nan 8.290 nan 0.000 0.610 29 P HA -0.069 nan 4.420 nan 0.000 0.214 29 P C 1.382 178.505 177.300 -0.296 0.000 1.169 29 P CA 1.369 64.332 63.100 -0.228 0.000 0.908 29 P CB -0.016 31.473 31.700 -0.350 0.000 0.791 30 F N -1.734 118.195 119.950 -0.036 0.000 2.816 30 F HA 0.067 4.593 4.527 -0.000 0.000 0.302 30 F C 1.577 177.312 175.800 -0.107 0.000 1.178 30 F CA 0.288 58.288 58.000 0.001 0.000 1.421 30 F CB -1.470 37.622 39.000 0.154 0.000 1.114 30 F HN -0.117 nan 8.300 nan 0.000 0.573 31 T N -0.648 113.829 114.554 -0.129 0.000 2.716 31 T HA -0.124 4.226 4.350 -0.000 0.000 0.335 31 T C -0.070 174.601 174.700 -0.048 0.000 1.081 31 T CA -0.043 61.887 62.100 -0.284 0.000 1.073 31 T CB 0.274 68.977 68.868 -0.276 0.000 0.993 31 T HN 0.364 nan 8.240 nan 0.000 0.547 32 H N 1.731 120.745 119.070 -0.093 0.000 2.488 32 H HA 0.377 4.933 4.556 -0.000 0.000 0.347 32 H C -1.707 173.660 175.328 0.065 0.000 1.174 32 H CA -1.638 54.423 56.048 0.022 0.000 1.307 32 H CB 1.295 31.088 29.762 0.051 0.000 1.517 32 H HN 0.346 nan 8.280 nan 0.000 0.554 33 P HA -0.148 nan 4.420 nan 0.000 0.215 33 P C 0.342 177.622 177.300 -0.033 0.000 1.153 33 P CA 1.568 64.510 63.100 -0.263 0.000 0.853 33 P CB 0.288 31.767 31.700 -0.369 0.000 0.788 34 D N -1.848 118.626 120.400 0.124 0.000 2.324 34 D HA -0.002 4.638 4.640 -0.000 0.000 0.235 34 D C 0.268 176.689 176.300 0.202 0.000 1.095 34 D CA 0.074 54.188 54.000 0.189 0.000 0.871 34 D CB -0.267 40.678 40.800 0.242 0.000 0.906 34 D HN 0.156 nan 8.370 nan 0.000 0.522 35 F N 1.925 121.919 119.950 0.073 0.000 2.418 35 F HA 0.127 4.654 4.527 -0.000 0.000 0.341 35 F C 0.450 176.245 175.800 -0.008 0.000 1.120 35 F CA 0.017 58.035 58.000 0.029 0.000 1.232 35 F CB 0.796 39.811 39.000 0.024 0.000 1.175 35 F HN -0.299 nan 8.300 nan 0.000 0.569 36 E N 6.668 126.343 120.200 -0.874 0.000 2.409 36 E HA 0.215 4.564 4.350 -0.000 0.000 0.259 36 E C -2.596 173.459 176.600 -0.909 0.000 0.932 36 E CA -1.995 54.022 56.400 -0.639 0.000 0.809 36 E CB 1.417 30.900 29.700 -0.361 0.000 1.341 36 E HN 0.335 nan 8.360 nan 0.000 0.405 37 P HA 0.037 nan 4.420 nan 0.000 0.263 37 P C -0.287 176.877 177.300 -0.227 0.000 1.195 37 P CA 0.252 63.151 63.100 -0.336 0.000 0.762 37 P CB 0.918 32.608 31.700 -0.017 0.000 0.799 38 S N 1.287 116.882 115.700 -0.175 0.000 2.567 38 S HA 0.288 4.758 4.470 -0.000 0.000 0.270 38 S C 0.836 175.398 174.600 -0.064 0.000 1.152 38 S CA -0.157 57.969 58.200 -0.123 0.000 0.835 38 S CB 1.318 64.415 63.200 -0.171 0.000 1.115 38 S HN 0.446 nan 8.310 nan 0.000 0.459 39 T N 0.723 115.248 114.554 -0.050 0.000 2.985 39 T HA 0.050 4.400 4.350 -0.000 0.000 0.266 39 T C 1.332 176.016 174.700 -0.027 0.000 1.076 39 T CA 1.796 63.882 62.100 -0.023 0.000 1.135 39 T CB -0.420 68.437 68.868 -0.018 0.000 0.890 39 T HN 0.658 nan 8.240 nan 0.000 0.480 40 E N 0.287 120.455 120.200 -0.054 0.000 2.072 40 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 40 E C 2.250 178.834 176.600 -0.027 0.000 0.982 40 E CA 0.999 57.370 56.400 -0.049 0.000 0.803 40 E CB -0.191 29.452 29.700 -0.096 0.000 0.755 40 E HN 0.503 nan 8.360 nan 0.000 0.453 41 S N 1.382 117.049 115.700 -0.054 0.000 2.427 41 S HA -0.301 4.169 4.470 -0.000 0.000 0.261 41 S C 1.881 176.467 174.600 -0.022 0.000 1.091 41 S CA 1.888 60.069 58.200 -0.032 0.000 1.251 41 S CB -0.901 62.269 63.200 -0.051 0.000 1.160 41 S HN 0.388 nan 8.310 nan 0.000 0.436 42 L N 1.543 122.741 121.223 -0.042 0.000 2.034 42 L HA -0.239 4.101 4.340 -0.000 0.000 0.217 42 L C 2.361 179.120 176.870 -0.184 0.000 1.077 42 L CA 2.367 57.134 54.840 -0.121 0.000 0.769 42 L CB -0.911 41.093 42.059 -0.092 0.000 0.890 42 L HN 0.283 nan 8.230 nan 0.000 0.435 43 Q N -1.347 118.395 119.800 -0.095 0.000 2.046 43 Q HA -0.202 4.138 4.340 -0.000 0.000 0.200 43 Q C 2.080 178.050 176.000 -0.050 0.000 0.975 43 Q CA 1.957 57.711 55.803 -0.082 0.000 0.836 43 Q CB -0.623 28.106 28.738 -0.016 0.000 0.896 43 Q HN 0.550 nan 8.270 nan 0.000 0.428 44 F N -0.235 119.625 119.950 -0.149 0.000 2.216 44 F HA -0.155 4.372 4.527 -0.000 0.000 0.300 44 F C 1.708 177.400 175.800 -0.180 0.000 1.085 44 F CA 0.916 58.830 58.000 -0.144 0.000 1.326 44 F CB -0.258 38.661 39.000 -0.135 0.000 1.027 44 F HN 0.236 nan 8.300 nan 0.000 0.497 45 L N -0.100 121.029 121.223 -0.156 0.000 1.988 45 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 45 L C 2.198 178.845 176.870 -0.371 0.000 1.071 45 L CA 1.750 56.405 54.840 -0.309 0.000 0.744 45 L CB -0.913 40.924 42.059 -0.371 0.000 0.893 45 L HN 0.117 nan 8.230 nan 0.000 0.433 46 L N -0.423 120.577 121.223 -0.372 0.000 2.129 46 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 46 L C 1.971 178.713 176.870 -0.213 0.000 1.087 46 L CA 1.416 56.056 54.840 -0.334 0.000 0.757 46 L CB -0.667 41.175 42.059 -0.363 0.000 0.896 46 L HN 0.412 nan 8.230 nan 0.000 0.434 47 D N -1.747 118.516 120.400 -0.229 0.000 2.262 47 D HA -0.058 4.582 4.640 -0.000 0.000 0.212 47 D C 2.091 178.252 176.300 -0.231 0.000 0.964 47 D CA 1.790 55.672 54.000 -0.197 0.000 0.875 47 D CB 0.250 40.945 40.800 -0.175 0.000 0.996 47 D HN 0.393 nan 8.370 nan 0.000 0.497 48 T N -2.466 111.860 114.554 -0.380 0.000 2.969 48 T HA 0.052 4.402 4.350 -0.000 0.000 0.250 48 T C 1.222 175.817 174.700 -0.176 0.000 1.021 48 T CA -0.298 61.594 62.100 -0.346 0.000 1.003 48 T CB -0.466 68.006 68.868 -0.660 0.000 1.040 48 T HN 0.015 nan 8.240 nan 0.000 0.492 49 C N 4.448 123.632 119.300 -0.193 0.000 2.667 49 C HA 0.340 4.800 4.460 -0.000 0.000 0.385 49 C C 0.425 175.576 174.990 0.267 0.000 1.299 49 C CA -0.880 58.144 59.018 0.009 0.000 1.554 49 C CB -1.835 25.894 27.740 -0.017 0.000 2.275 49 C HN 0.391 nan 8.230 nan 0.000 0.588 50 K N 4.955 125.623 120.400 0.448 0.000 2.258 50 K HA 0.531 4.851 4.320 -0.000 0.000 0.284 50 K C -0.595 176.160 176.600 0.258 0.000 1.051 50 K CA -0.314 56.090 56.287 0.195 0.000 0.923 50 K CB 1.279 33.690 32.500 -0.148 0.000 1.046 50 K HN 0.474 nan 8.250 nan 0.000 0.474 51 V N 4.202 124.267 119.914 0.252 0.000 2.656 51 V HA 0.320 4.440 4.120 -0.000 0.000 0.307 51 V C -0.919 175.212 176.094 0.061 0.000 1.051 51 V CA -1.084 61.296 62.300 0.132 0.000 0.893 51 V CB 1.782 33.588 31.823 -0.029 0.000 0.999 51 V HN 0.566 nan 8.190 nan 0.000 0.426 52 L N 5.868 126.952 121.223 -0.232 0.000 2.322 52 L HA 0.762 5.102 4.340 -0.000 0.000 0.281 52 L C -0.699 176.027 176.870 -0.240 0.000 1.014 52 L CA -0.019 54.536 54.840 -0.475 0.000 0.815 52 L CB 1.839 43.039 42.059 -1.431 0.000 1.247 52 L HN 0.426 nan 8.230 nan 0.000 0.421 53 V N 6.925 126.775 119.914 -0.107 0.000 2.334 53 V HA 0.403 4.523 4.120 -0.000 0.000 0.281 53 V C 0.198 176.280 176.094 -0.020 0.000 1.016 53 V CA -0.374 61.888 62.300 -0.063 0.000 0.832 53 V CB 1.239 33.042 31.823 -0.033 0.000 0.999 53 V HN 0.617 nan 8.190 nan 0.000 0.439 54 I N 5.186 125.744 120.570 -0.020 0.000 2.291 54 I HA 0.652 4.822 4.170 -0.000 0.000 0.292 54 I C 0.827 176.960 176.117 0.028 0.000 1.064 54 I CA 0.163 61.480 61.300 0.028 0.000 1.269 54 I CB 0.725 38.750 38.000 0.042 0.000 1.418 54 I HN 0.860 nan 8.210 nan 0.000 0.485 55 G N 4.589 113.417 108.800 0.047 0.000 2.885 55 G HA2 0.174 4.133 3.960 -0.000 0.000 0.685 55 G HA3 0.174 4.133 3.960 -0.000 0.000 0.685 55 G C -0.574 174.345 174.900 0.032 0.000 1.216 55 G CA -0.341 44.783 45.100 0.040 0.000 0.790 55 G HN 0.872 nan 8.290 nan 0.000 0.631 56 A N 0.830 123.682 122.820 0.053 0.000 2.795 56 A HA 0.734 5.054 4.320 -0.000 0.000 0.282 56 A C 1.155 178.778 177.584 0.066 0.000 0.964 56 A CA 0.991 53.062 52.037 0.057 0.000 1.045 56 A CB 0.208 19.290 19.000 0.137 0.000 1.174 56 A HN 2.230 nan 8.150 nan 0.000 0.493 57 G N -0.898 107.908 108.800 0.010 0.000 3.949 57 G HA2 0.474 4.433 3.960 -0.000 0.000 0.295 57 G HA3 0.474 4.433 3.960 -0.000 0.000 0.295 57 G C 1.065 175.917 174.900 -0.080 0.000 1.286 57 G CA 0.311 45.410 45.100 -0.001 0.000 1.171 57 G HN 1.596 nan 8.290 nan 0.000 0.586 58 G N 0.233 108.926 108.800 -0.177 0.000 3.586 58 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.212 58 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.212 58 G C 1.363 176.194 174.900 -0.116 0.000 1.411 58 G CA 0.395 45.382 45.100 -0.189 0.000 0.898 58 G HN 0.461 nan 8.290 nan 0.000 0.575 59 L N 1.530 122.707 121.223 -0.078 0.000 2.042 59 L HA 0.094 4.434 4.340 -0.000 0.000 0.210 59 L C 3.047 179.876 176.870 -0.069 0.000 1.076 59 L CA 2.551 57.353 54.840 -0.062 0.000 0.749 59 L CB -0.659 41.369 42.059 -0.051 0.000 0.893 59 L HN 0.551 nan 8.230 nan 0.000 0.432 60 G N -1.162 107.593 108.800 -0.075 0.000 2.404 60 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.215 60 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.215 60 G C 1.599 176.428 174.900 -0.119 0.000 1.174 60 G CA 0.823 45.879 45.100 -0.073 0.000 0.780 60 G HN 0.475 nan 8.290 nan 0.000 0.537 61 C N 0.252 119.418 119.300 -0.222 0.000 2.388 61 C HA -0.058 4.402 4.460 -0.000 0.000 0.277 61 C C 2.692 177.541 174.990 -0.236 0.000 1.210 61 C CA 1.234 60.005 59.018 -0.412 0.000 1.743 61 C CB -0.898 26.353 27.740 -0.815 0.000 2.047 61 C HN 0.595 nan 8.230 nan 0.000 0.458 62 E N 0.753 120.920 120.200 -0.054 0.000 2.070 62 E HA -0.196 4.153 4.350 -0.000 0.000 0.197 62 E C 1.987 178.617 176.600 0.050 0.000 1.004 62 E CA 1.315 57.801 56.400 0.143 0.000 0.805 62 E CB -0.532 29.220 29.700 0.087 0.000 0.744 62 E HN 0.590 nan 8.360 nan 0.000 0.451 63 L N -0.220 120.992 121.223 -0.018 0.000 2.012 63 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 63 L C 2.506 179.366 176.870 -0.018 0.000 1.073 63 L CA 1.226 56.045 54.840 -0.034 0.000 0.748 63 L CB -0.438 41.585 42.059 -0.060 0.000 0.891 63 L HN 0.262 nan 8.230 nan 0.000 0.431 64 L N -0.199 121.013 121.223 -0.019 0.000 1.956 64 L HA -0.334 4.006 4.340 -0.000 0.000 0.216 64 L C 2.720 179.629 176.870 0.064 0.000 1.073 64 L CA 1.920 56.765 54.840 0.009 0.000 0.762 64 L CB -0.683 41.367 42.059 -0.015 0.000 0.889 64 L HN 0.292 nan 8.230 nan 0.000 0.433 65 K N 0.054 120.511 120.400 0.095 0.000 2.059 65 K HA -0.268 4.052 4.320 -0.000 0.000 0.212 65 K C 1.941 178.619 176.600 0.129 0.000 1.050 65 K CA 2.134 58.515 56.287 0.157 0.000 0.927 65 K CB -0.162 32.488 32.500 0.251 0.000 0.714 65 K HN 0.314 nan 8.250 nan 0.000 0.447 66 N N 0.882 119.634 118.700 0.087 0.000 2.069 66 N HA -0.160 4.579 4.740 -0.000 0.000 0.191 66 N C 1.976 177.547 175.510 0.101 0.000 1.031 66 N CA 1.481 54.569 53.050 0.065 0.000 0.852 66 N CB -0.303 38.191 38.487 0.012 0.000 1.018 66 N HN 0.261 nan 8.380 nan 0.000 0.423 67 L N 0.714 121.980 121.223 0.072 0.000 2.056 67 L HA -0.062 4.278 4.340 -0.000 0.000 0.207 67 L C 2.522 179.593 176.870 0.335 0.000 1.078 67 L CA 0.935 55.836 54.840 0.102 0.000 0.749 67 L CB -0.574 41.402 42.059 -0.139 0.000 0.901 67 L HN 0.083 nan 8.230 nan 0.000 0.433 68 A N 0.646 123.617 122.820 0.252 0.000 1.859 68 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 68 A C 2.124 179.940 177.584 0.387 0.000 1.198 68 A CA 1.677 53.893 52.037 0.298 0.000 0.629 68 A CB -0.929 18.212 19.000 0.237 0.000 0.830 68 A HN 0.402 nan 8.150 nan 0.000 0.446 69 L N -0.066 121.351 121.223 0.323 0.000 2.622 69 L HA 0.004 4.344 4.340 -0.000 0.000 0.233 69 L C 1.421 178.539 176.870 0.413 0.000 1.156 69 L CA 0.538 55.586 54.840 0.346 0.000 0.866 69 L CB -0.089 42.088 42.059 0.195 0.000 0.980 69 L HN 0.254 nan 8.230 nan 0.000 0.448 70 S N -0.408 115.517 115.700 0.375 0.000 2.554 70 S HA 0.297 4.767 4.470 -0.000 0.000 0.226 70 S C 1.225 175.919 174.600 0.157 0.000 0.980 70 S CA 0.526 58.892 58.200 0.276 0.000 0.939 70 S CB 0.849 64.240 63.200 0.318 0.000 0.832 70 S HN 0.586 nan 8.310 nan 0.000 0.486 71 G N 1.300 110.073 108.800 -0.045 0.000 2.131 71 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.201 71 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.201 71 G C -0.284 174.235 174.900 -0.635 0.000 1.000 71 G CA -0.659 44.020 45.100 -0.701 0.000 0.680 71 G HN 0.384 nan 8.290 nan 0.000 0.514 72 F N 0.151 120.052 119.950 -0.083 0.000 2.427 72 F HA 0.688 5.215 4.527 -0.000 0.000 0.346 72 F C 1.413 177.216 175.800 0.004 0.000 1.120 72 F CA -1.033 56.950 58.000 -0.028 0.000 1.033 72 F CB 1.487 40.510 39.000 0.038 0.000 1.126 72 F HN -0.111 nan 8.300 nan 0.000 0.462 73 R N 0.320 120.893 120.500 0.121 0.000 2.167 73 R HA 0.115 4.455 4.340 -0.000 0.000 0.195 73 R C 0.054 176.436 176.300 0.138 0.000 1.027 73 R CA 0.234 56.399 56.100 0.108 0.000 1.114 73 R CB 0.097 30.417 30.300 0.032 0.000 1.075 73 R HN 0.474 nan 8.270 nan 0.000 0.538 74 Q N 2.071 121.955 119.800 0.140 0.000 2.641 74 Q HA 0.279 4.618 4.340 -0.000 0.000 0.225 74 Q C -0.259 175.896 176.000 0.259 0.000 1.309 74 Q CA 0.546 56.452 55.803 0.173 0.000 0.935 74 Q CB -0.247 28.570 28.738 0.131 0.000 1.557 74 Q HN 0.314 nan 8.270 nan 0.000 0.563 75 I N 1.399 122.122 120.570 0.255 0.000 2.509 75 I HA 0.349 4.518 4.170 -0.000 0.000 0.293 75 I C 0.183 176.489 176.117 0.315 0.000 1.020 75 I CA -0.769 60.695 61.300 0.273 0.000 1.088 75 I CB 1.696 39.795 38.000 0.166 0.000 1.267 75 I HN 0.349 nan 8.210 nan 0.000 0.430 76 H N 4.410 123.565 119.070 0.143 0.000 2.529 76 H HA 0.685 5.240 4.556 -0.000 0.000 0.348 76 H C -1.055 174.325 175.328 0.087 0.000 1.152 76 H CA -0.970 55.175 56.048 0.162 0.000 1.202 76 H CB 2.978 32.959 29.762 0.366 0.000 1.562 76 H HN 0.221 nan 8.280 nan 0.000 0.515 77 V N 4.443 124.478 119.914 0.202 0.000 2.709 77 V HA 0.343 4.463 4.120 -0.000 0.000 0.308 77 V C -0.216 176.007 176.094 0.216 0.000 1.062 77 V CA -0.608 61.779 62.300 0.144 0.000 0.901 77 V CB 2.158 34.027 31.823 0.076 0.000 1.003 77 V HN 0.564 nan 8.190 nan 0.000 0.425 78 I N 3.494 124.179 120.570 0.192 0.000 2.569 78 I HA 0.665 4.835 4.170 -0.000 0.000 0.296 78 I C -1.092 175.130 176.117 0.174 0.000 1.028 78 I CA -0.297 61.145 61.300 0.236 0.000 1.082 78 I CB 2.146 40.283 38.000 0.229 0.000 1.264 78 I HN 0.613 nan 8.210 nan 0.000 0.429 79 D N 5.936 126.456 120.400 0.200 0.000 2.530 79 D HA 0.155 4.794 4.640 -0.000 0.000 0.193 79 D C 0.002 176.450 176.300 0.247 0.000 1.243 79 D CA -0.380 53.718 54.000 0.164 0.000 0.803 79 D CB 1.445 42.317 40.800 0.121 0.000 1.955 79 D HN 0.633 nan 8.370 nan 0.000 0.529 80 M N 0.315 120.030 119.600 0.193 0.000 2.447 80 M HA 0.223 4.703 4.480 -0.000 0.000 0.264 80 M C 0.248 176.743 176.300 0.324 0.000 1.095 80 M CA 0.477 55.909 55.300 0.220 0.000 1.125 80 M CB 0.103 32.722 32.600 0.032 0.000 1.389 80 M HN -0.040 nan 8.290 nan 0.000 0.459 81 D N 2.016 122.525 120.400 0.181 0.000 2.360 81 D HA 0.177 4.817 4.640 -0.000 0.000 0.242 81 D C -0.363 175.962 176.300 0.041 0.000 1.184 81 D CA 0.403 54.469 54.000 0.111 0.000 0.930 81 D CB 1.175 42.008 40.800 0.056 0.000 1.161 81 D HN 0.035 nan 8.370 nan 0.000 0.447 82 T N 0.301 114.848 114.554 -0.012 0.000 2.912 82 T HA 0.459 4.808 4.350 -0.000 0.000 0.288 82 T C 0.305 174.917 174.700 -0.148 0.000 1.030 82 T CA -0.692 61.333 62.100 -0.125 0.000 1.020 82 T CB 0.658 69.490 68.868 -0.060 0.000 1.056 82 T HN 0.138 nan 8.240 nan 0.000 0.480 83 I N 3.538 123.953 120.570 -0.258 0.000 2.683 83 I HA 0.175 4.345 4.170 -0.000 0.000 0.286 83 I C 0.337 176.402 176.117 -0.086 0.000 1.175 83 I CA 0.252 61.414 61.300 -0.230 0.000 1.429 83 I CB 0.401 38.174 38.000 -0.379 0.000 1.371 83 I HN 0.601 nan 8.210 nan 0.000 0.569 84 D N 4.141 124.534 120.400 -0.012 0.000 2.477 84 D HA 0.220 4.860 4.640 -0.000 0.000 0.234 84 D C 0.315 176.638 176.300 0.037 0.000 1.048 84 D CA -0.667 53.337 54.000 0.008 0.000 0.959 84 D CB 2.243 43.049 40.800 0.011 0.000 1.408 84 D HN 0.170 nan 8.370 nan 0.000 0.496 85 V N 1.474 121.405 119.914 0.029 0.000 2.427 85 V HA -0.092 4.028 4.120 -0.000 0.000 0.248 85 V C 1.421 177.539 176.094 0.041 0.000 1.051 85 V CA 2.358 64.681 62.300 0.038 0.000 1.048 85 V CB -0.446 31.395 31.823 0.030 0.000 0.666 85 V HN 0.679 nan 8.190 nan 0.000 0.456 86 S N -0.357 115.362 115.700 0.031 0.000 3.033 86 S HA 0.110 4.580 4.470 -0.000 0.000 0.258 86 S C 0.724 175.342 174.600 0.029 0.000 1.207 86 S CA 0.465 58.680 58.200 0.024 0.000 1.248 86 S CB -0.522 62.686 63.200 0.013 0.000 0.932 86 S HN 0.671 nan 8.310 nan 0.000 0.472 87 N N 0.783 119.514 118.700 0.050 0.000 2.486 87 N HA 0.338 5.077 4.740 -0.000 0.000 0.242 87 N C 1.147 176.680 175.510 0.038 0.000 1.083 87 N CA 0.118 53.208 53.050 0.066 0.000 0.844 87 N CB -0.295 38.294 38.487 0.171 0.000 1.527 87 N HN 0.285 nan 8.380 nan 0.000 0.462 88 L N 1.950 123.210 121.223 0.062 0.000 2.661 88 L HA -0.097 4.243 4.340 -0.000 0.000 0.236 88 L C 1.173 178.058 176.870 0.025 0.000 1.176 88 L CA 0.824 55.694 54.840 0.050 0.000 0.836 88 L CB -0.640 41.460 42.059 0.068 0.000 0.960 88 L HN 0.367 nan 8.230 nan 0.000 0.455 89 N N 1.053 119.760 118.700 0.013 0.000 2.280 89 N HA -0.068 4.671 4.740 -0.000 0.000 0.192 89 N C 1.144 176.653 175.510 -0.000 0.000 1.109 89 N CA 0.157 53.213 53.050 0.010 0.000 0.855 89 N CB 0.366 38.857 38.487 0.007 0.000 0.974 89 N HN 0.568 nan 8.380 nan 0.000 0.482 90 R N -1.572 118.919 120.500 -0.016 0.000 2.371 90 R HA 0.157 4.497 4.340 -0.000 0.000 0.261 90 R C -0.588 175.681 176.300 -0.051 0.000 0.768 90 R CA -0.286 55.805 56.100 -0.016 0.000 0.992 90 R CB -0.514 29.767 30.300 -0.033 0.000 1.687 90 R HN -0.018 nan 8.270 nan 0.000 0.463 91 Q N 1.576 121.281 119.800 -0.159 0.000 2.773 91 Q HA 0.200 4.540 4.340 -0.000 0.000 0.373 91 Q C -0.030 175.595 176.000 -0.625 0.000 0.940 91 Q CA -0.585 54.926 55.803 -0.485 0.000 1.015 91 Q CB 0.472 28.812 28.738 -0.664 0.000 1.349 91 Q HN 0.373 nan 8.270 nan 0.000 0.413 92 F N -1.533 118.195 119.950 -0.371 0.000 2.244 92 F HA -0.297 4.230 4.527 -0.000 0.000 0.301 92 F C 1.041 176.572 175.800 -0.448 0.000 1.050 92 F CA 1.098 58.909 58.000 -0.315 0.000 1.345 92 F CB -0.473 38.379 39.000 -0.246 0.000 1.070 92 F HN 0.256 nan 8.300 nan 0.000 0.519 93 L N -0.659 119.813 121.223 -1.251 0.000 2.362 93 L HA -0.004 4.336 4.340 -0.000 0.000 0.219 93 L C 0.580 177.387 176.870 -0.105 0.000 1.134 93 L CA 0.431 54.609 54.840 -1.103 0.000 0.807 93 L CB -0.625 40.830 42.059 -1.007 0.000 0.927 93 L HN 0.138 nan 8.230 nan 0.000 0.447 94 F N -0.323 119.519 119.950 -0.180 0.000 2.425 94 F HA 0.481 5.007 4.527 -0.000 0.000 0.331 94 F C 0.715 176.536 175.800 0.034 0.000 1.085 94 F CA -1.365 56.613 58.000 -0.037 0.000 1.028 94 F CB 1.114 40.072 39.000 -0.070 0.000 1.177 94 F HN -0.188 nan 8.300 nan 0.000 0.487 95 R N 1.817 122.472 120.500 0.259 0.000 2.873 95 R HA 0.329 4.669 4.340 -0.000 0.000 0.264 95 R C -1.993 174.374 176.300 0.111 0.000 1.026 95 R CA -2.300 53.901 56.100 0.168 0.000 1.002 95 R CB 1.081 31.471 30.300 0.150 0.000 1.174 95 R HN 0.217 nan 8.270 nan 0.000 0.488 96 P HA -0.150 nan 4.420 nan 0.000 0.221 96 P C 0.552 177.873 177.300 0.035 0.000 1.145 96 P CA 1.508 64.640 63.100 0.055 0.000 0.795 96 P CB 0.248 31.976 31.700 0.047 0.000 0.775 97 K N -1.543 118.879 120.400 0.036 0.000 2.459 97 K HA 0.026 4.345 4.320 -0.000 0.000 0.193 97 K C 0.772 177.372 176.600 -0.000 0.000 1.030 97 K CA 0.841 57.138 56.287 0.016 0.000 1.026 97 K CB -0.237 32.273 32.500 0.018 0.000 0.809 97 K HN 0.043 nan 8.250 nan 0.000 0.504 98 D N 1.358 121.759 120.400 0.001 0.000 2.354 98 D HA 0.115 4.755 4.640 -0.000 0.000 0.209 98 D C 0.589 176.834 176.300 -0.092 0.000 1.015 98 D CA 0.002 53.972 54.000 -0.049 0.000 0.867 98 D CB 0.206 40.976 40.800 -0.050 0.000 0.933 98 D HN 0.202 nan 8.370 nan 0.000 0.520 99 I N 0.986 121.525 120.570 -0.052 0.000 2.996 99 I HA -0.116 4.054 4.170 -0.000 0.000 0.310 99 I C 1.733 177.805 176.117 -0.075 0.000 1.225 99 I CA 1.176 62.441 61.300 -0.059 0.000 1.442 99 I CB 0.210 38.197 38.000 -0.021 0.000 1.334 99 I HN 0.223 nan 8.210 nan 0.000 0.550 100 G N 5.415 114.155 108.800 -0.100 0.000 2.254 100 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.225 100 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.225 100 G C 0.406 175.223 174.900 -0.139 0.000 1.003 100 G CA -0.463 44.581 45.100 -0.092 0.000 0.622 100 G HN 0.582 nan 8.290 nan 0.000 0.507 101 R N 1.151 121.538 120.500 -0.190 0.000 2.577 101 R HA 0.484 4.824 4.340 -0.000 0.000 0.269 101 R C -2.666 173.399 176.300 -0.392 0.000 1.084 101 R CA -1.677 54.271 56.100 -0.253 0.000 1.163 101 R CB 0.315 30.480 30.300 -0.225 0.000 1.100 101 R HN 0.105 nan 8.270 nan 0.000 0.547 102 P HA 0.043 nan 4.420 nan 0.000 0.271 102 P C -0.258 176.707 177.300 -0.558 0.000 1.220 102 P CA 0.036 62.670 63.100 -0.777 0.000 0.768 102 P CB 0.680 31.591 31.700 -1.316 0.000 0.848 103 K N 2.881 122.986 120.400 -0.492 0.000 2.032 103 K HA -0.189 4.130 4.320 -0.000 0.000 0.209 103 K C 1.971 178.447 176.600 -0.207 0.000 1.048 103 K CA 1.915 57.903 56.287 -0.498 0.000 0.927 103 K CB -0.675 31.701 32.500 -0.205 0.000 0.712 103 K HN 0.445 nan 8.250 nan 0.000 0.441 104 A N 1.710 124.459 122.820 -0.119 0.000 1.948 104 A HA -0.281 4.039 4.320 -0.000 0.000 0.220 104 A C 2.126 179.676 177.584 -0.057 0.000 1.177 104 A CA 1.981 54.004 52.037 -0.023 0.000 0.636 104 A CB -0.502 18.530 19.000 0.055 0.000 0.815 104 A HN 0.481 nan 8.150 nan 0.000 0.449 105 E N -0.302 119.811 120.200 -0.144 0.000 2.046 105 E HA -0.102 4.247 4.350 -0.000 0.000 0.190 105 E C 1.846 178.399 176.600 -0.078 0.000 0.982 105 E CA 1.356 57.685 56.400 -0.118 0.000 0.800 105 E CB -0.090 29.506 29.700 -0.174 0.000 0.756 105 E HN 0.338 nan 8.360 nan 0.000 0.449 106 V N 1.458 121.296 119.914 -0.126 0.000 2.515 106 V HA -0.213 3.906 4.120 -0.000 0.000 0.250 106 V C 2.494 178.658 176.094 0.117 0.000 1.058 106 V CA 1.620 63.895 62.300 -0.042 0.000 1.064 106 V CB -0.828 30.889 31.823 -0.177 0.000 0.675 106 V HN 0.402 nan 8.190 nan 0.000 0.461 107 A N 0.302 123.199 122.820 0.127 0.000 1.902 107 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 107 A C 2.416 180.069 177.584 0.114 0.000 1.181 107 A CA 2.073 54.206 52.037 0.160 0.000 0.623 107 A CB -0.721 18.364 19.000 0.141 0.000 0.818 107 A HN 0.563 nan 8.150 nan 0.000 0.443 108 A N -0.558 122.305 122.820 0.071 0.000 1.929 108 A HA -0.099 4.220 4.320 -0.000 0.000 0.216 108 A C 2.025 179.661 177.584 0.086 0.000 1.176 108 A CA 1.561 53.633 52.037 0.060 0.000 0.628 108 A CB -0.490 18.514 19.000 0.006 0.000 0.816 108 A HN 0.659 nan 8.150 nan 0.000 0.444 109 E N -0.807 119.440 120.200 0.079 0.000 2.023 109 E HA -0.242 4.107 4.350 -0.000 0.000 0.196 109 E C 1.830 178.505 176.600 0.125 0.000 1.003 109 E CA 1.559 58.003 56.400 0.072 0.000 0.809 109 E CB -0.319 29.410 29.700 0.048 0.000 0.755 109 E HN 0.596 nan 8.360 nan 0.000 0.449 110 F N 0.940 120.907 119.950 0.029 0.000 2.026 110 F HA -0.293 4.234 4.527 -0.000 0.000 0.296 110 F C 2.382 178.213 175.800 0.052 0.000 1.133 110 F CA 1.226 59.252 58.000 0.044 0.000 1.188 110 F CB -0.229 38.799 39.000 0.046 0.000 0.968 110 F HN 0.095 nan 8.300 nan 0.000 0.476 111 L N 0.953 122.434 121.223 0.431 0.000 1.978 111 L HA -0.344 3.996 4.340 -0.000 0.000 0.218 111 L C 2.172 179.164 176.870 0.204 0.000 1.075 111 L CA 2.054 57.072 54.840 0.297 0.000 0.767 111 L CB -1.655 40.511 42.059 0.179 0.000 0.890 111 L HN 0.306 nan 8.230 nan 0.000 0.434 112 N N -0.094 118.692 118.700 0.143 0.000 2.192 112 N HA -0.224 4.516 4.740 -0.000 0.000 0.188 112 N C 1.561 177.124 175.510 0.088 0.000 1.013 112 N CA 1.592 54.705 53.050 0.105 0.000 0.863 112 N CB -0.383 38.146 38.487 0.070 0.000 0.990 112 N HN 0.530 nan 8.380 nan 0.000 0.430 113 D N 0.717 121.156 120.400 0.064 0.000 2.120 113 D HA -0.104 4.535 4.640 -0.000 0.000 0.202 113 D C 1.970 178.282 176.300 0.020 0.000 0.972 113 D CA 0.617 54.623 54.000 0.009 0.000 0.837 113 D CB 0.274 41.030 40.800 -0.073 0.000 0.989 113 D HN 0.008 nan 8.370 nan 0.000 0.469 114 R N 0.327 120.858 120.500 0.053 0.000 2.062 114 R HA 0.020 4.359 4.340 -0.000 0.000 0.231 114 R C 0.524 176.909 176.300 0.141 0.000 1.136 114 R CA 0.761 56.920 56.100 0.099 0.000 0.948 114 R CB -0.304 30.145 30.300 0.249 0.000 0.845 114 R HN -0.009 nan 8.270 nan 0.000 0.430 115 V N 2.779 122.799 119.914 0.176 0.000 2.320 115 V HA 0.189 4.309 4.120 -0.000 0.000 0.265 115 V C -1.735 174.464 176.094 0.175 0.000 1.048 115 V CA -1.710 60.700 62.300 0.185 0.000 0.865 115 V CB 1.111 33.058 31.823 0.206 0.000 1.043 115 V HN 0.262 nan 8.190 nan 0.000 0.474 116 P HA -0.270 nan 4.420 nan 0.000 0.247 116 P C 0.683 178.072 177.300 0.149 0.000 0.799 116 P CA 1.551 64.760 63.100 0.183 0.000 1.118 116 P CB 0.047 31.905 31.700 0.263 0.000 0.760 117 N N -1.439 117.353 118.700 0.153 0.000 2.410 117 N HA 0.042 4.782 4.740 -0.000 0.000 0.231 117 N C -0.097 175.492 175.510 0.132 0.000 1.172 117 N CA 0.064 53.191 53.050 0.128 0.000 0.849 117 N CB -1.166 37.390 38.487 0.115 0.000 1.116 117 N HN 0.169 nan 8.380 nan 0.000 0.485 118 C N 1.069 120.458 119.300 0.148 0.000 2.644 118 C HA 0.196 4.656 4.460 -0.000 0.000 0.417 118 C C 0.975 176.030 174.990 0.108 0.000 1.304 118 C CA -0.294 58.813 59.018 0.148 0.000 2.035 118 C CB -0.732 27.109 27.740 0.169 0.000 2.673 118 C HN 0.402 nan 8.230 nan 0.000 0.602 119 N N 3.573 122.331 118.700 0.098 0.000 2.886 119 N HA 0.311 5.050 4.740 -0.000 0.000 0.285 119 N C -0.930 174.611 175.510 0.052 0.000 1.706 119 N CA -0.243 52.846 53.050 0.065 0.000 0.904 119 N CB 0.677 39.198 38.487 0.057 0.000 1.224 119 N HN 0.484 nan 8.380 nan 0.000 0.488 120 V N 1.436 121.378 119.914 0.047 0.000 2.488 120 V HA 0.234 4.354 4.120 -0.000 0.000 0.277 120 V C 0.262 176.317 176.094 -0.065 0.000 1.046 120 V CA -0.544 61.769 62.300 0.023 0.000 0.986 120 V CB 1.239 33.090 31.823 0.046 0.000 0.989 120 V HN 0.091 nan 8.190 nan 0.000 0.475 121 V N 8.722 128.530 119.914 -0.177 0.000 2.333 121 V HA 0.338 4.458 4.120 -0.000 0.000 0.274 121 V C -1.920 173.938 176.094 -0.393 0.000 1.028 121 V CA -1.558 60.529 62.300 -0.355 0.000 0.851 121 V CB 1.666 33.079 31.823 -0.684 0.000 1.000 121 V HN 0.764 nan 8.190 nan 0.000 0.456 122 P HA 0.330 nan 4.420 nan 0.000 0.284 122 P C -1.051 176.073 177.300 -0.293 0.000 1.253 122 P CA -0.295 62.683 63.100 -0.204 0.000 0.800 122 P CB 0.977 32.623 31.700 -0.088 0.000 0.961 123 H N 2.762 121.915 119.070 0.138 0.000 2.991 123 H HA 0.180 4.735 4.556 -0.000 0.000 0.304 123 H C -0.817 174.667 175.328 0.260 0.000 1.040 123 H CA -0.506 55.664 56.048 0.203 0.000 1.410 123 H CB 0.499 30.403 29.762 0.237 0.000 1.529 123 H HN 0.319 nan 8.280 nan 0.000 0.509 124 F N 4.844 124.878 119.950 0.141 0.000 2.652 124 F HA 0.238 4.765 4.527 -0.000 0.000 0.352 124 F C -0.536 175.301 175.800 0.061 0.000 1.259 124 F CA -0.479 57.561 58.000 0.066 0.000 1.249 124 F CB -0.628 38.381 39.000 0.016 0.000 1.628 124 F HN 0.392 nan 8.300 nan 0.000 0.654 125 N N 3.110 121.921 118.700 0.185 0.000 2.732 125 N HA 0.290 5.029 4.740 -0.000 0.000 0.259 125 N C -1.395 174.132 175.510 0.029 0.000 1.402 125 N CA -0.765 52.278 53.050 -0.012 0.000 0.829 125 N CB 2.606 41.122 38.487 0.049 0.000 1.495 125 N HN 0.338 nan 8.380 nan 0.000 0.511 126 K N -0.179 120.170 120.400 -0.085 0.000 2.156 126 K HA 0.447 4.766 4.320 -0.000 0.000 0.254 126 K C 1.374 177.945 176.600 -0.049 0.000 0.950 126 K CA -0.686 55.558 56.287 -0.072 0.000 0.849 126 K CB 1.476 33.886 32.500 -0.151 0.000 1.100 126 K HN 0.598 nan 8.250 nan 0.000 0.434 127 I N -1.504 119.050 120.570 -0.027 0.000 2.399 127 I HA -0.296 3.874 4.170 -0.000 0.000 0.254 127 I C 1.076 177.042 176.117 -0.251 0.000 1.146 127 I CA 1.019 62.351 61.300 0.053 0.000 1.412 127 I CB -0.406 37.614 38.000 0.033 0.000 1.076 127 I HN 0.582 nan 8.210 nan 0.000 0.432 128 Q N 1.071 120.492 119.800 -0.632 0.000 2.472 128 Q HA -0.064 4.276 4.340 -0.000 0.000 0.208 128 Q C 1.329 177.161 176.000 -0.281 0.000 0.958 128 Q CA 0.792 56.112 55.803 -0.806 0.000 0.932 128 Q CB -0.247 28.017 28.738 -0.790 0.000 1.007 128 Q HN 0.533 nan 8.270 nan 0.000 0.508 129 D N -0.700 119.524 120.400 -0.293 0.000 2.317 129 D HA -0.018 4.622 4.640 -0.000 0.000 0.211 129 D C -0.320 175.681 176.300 -0.497 0.000 0.966 129 D CA 0.574 54.313 54.000 -0.434 0.000 0.876 129 D CB 0.220 40.617 40.800 -0.672 0.000 0.927 129 D HN 0.152 nan 8.370 nan 0.000 0.519 130 F N 0.750 120.687 119.950 -0.022 0.000 2.440 130 F HA 0.309 4.836 4.527 -0.000 0.000 0.328 130 F C 0.836 176.861 175.800 0.375 0.000 1.070 130 F CA -1.249 56.764 58.000 0.022 0.000 1.011 130 F CB 0.971 39.807 39.000 -0.274 0.000 1.226 130 F HN -0.242 nan 8.300 nan 0.000 0.491 131 N N -1.374 117.642 118.700 0.526 0.000 2.469 131 N HA 0.252 4.992 4.740 -0.000 0.000 0.286 131 N C -0.105 175.703 175.510 0.496 0.000 1.275 131 N CA -0.790 52.545 53.050 0.475 0.000 0.790 131 N CB 0.410 39.057 38.487 0.268 0.000 1.446 131 N HN 0.500 nan 8.380 nan 0.000 0.501 132 D N -0.932 119.683 120.400 0.358 0.000 2.200 132 D HA -0.292 4.348 4.640 -0.000 0.000 0.192 132 D C 1.088 177.528 176.300 0.233 0.000 1.008 132 D CA 2.419 56.588 54.000 0.281 0.000 0.872 132 D CB -1.233 39.649 40.800 0.137 0.000 0.923 132 D HN 0.607 nan 8.370 nan 0.000 0.447 133 T N -0.647 114.021 114.554 0.191 0.000 2.685 133 T HA -0.215 4.134 4.350 -0.000 0.000 0.268 133 T C 1.402 176.184 174.700 0.136 0.000 1.034 133 T CA 1.549 63.730 62.100 0.134 0.000 1.149 133 T CB -0.614 68.331 68.868 0.128 0.000 0.860 133 T HN 0.293 nan 8.240 nan 0.000 0.449 134 F N 0.457 120.422 119.950 0.026 0.000 2.128 134 F HA 0.025 4.552 4.527 -0.000 0.000 0.295 134 F C 1.835 177.577 175.800 -0.097 0.000 1.100 134 F CA 0.790 58.722 58.000 -0.113 0.000 1.260 134 F CB -0.437 38.437 39.000 -0.211 0.000 1.009 134 F HN 0.198 nan 8.300 nan 0.000 0.476 135 Y N -0.175 120.172 120.300 0.078 0.000 2.457 135 Y HA -0.005 4.544 4.550 -0.000 0.000 0.292 135 Y C 2.561 178.476 175.900 0.025 0.000 1.125 135 Y CA 1.021 59.144 58.100 0.038 0.000 1.254 135 Y CB -0.531 37.985 38.460 0.094 0.000 1.012 135 Y HN -0.021 nan 8.280 nan 0.000 0.555 136 R N 1.376 121.931 120.500 0.092 0.000 2.193 136 R HA -0.208 4.132 4.340 -0.000 0.000 0.229 136 R C 1.941 178.149 176.300 -0.153 0.000 1.110 136 R CA 1.563 57.660 56.100 -0.005 0.000 0.988 136 R CB -0.097 30.203 30.300 -0.001 0.000 0.871 136 R HN 0.587 nan 8.270 nan 0.000 0.458 137 Q N -0.960 118.634 119.800 -0.343 0.000 2.435 137 Q HA -0.019 4.321 4.340 -0.000 0.000 0.207 137 Q C -0.431 175.052 176.000 -0.861 0.000 0.956 137 Q CA 0.466 55.899 55.803 -0.616 0.000 0.917 137 Q CB 0.061 28.325 28.738 -0.790 0.000 0.997 137 Q HN 0.113 nan 8.270 nan 0.000 0.497 138 F N 0.492 120.175 119.950 -0.445 0.000 2.379 138 F HA 0.288 4.814 4.527 -0.000 0.000 0.332 138 F C 1.404 176.972 175.800 -0.388 0.000 1.096 138 F CA -0.862 56.868 58.000 -0.450 0.000 1.105 138 F CB 0.867 39.661 39.000 -0.344 0.000 1.189 138 F HN -0.039 nan 8.300 nan 0.000 0.515 139 H N 1.734 120.848 119.070 0.073 0.000 2.415 139 H HA 0.323 4.879 4.556 -0.000 0.000 0.297 139 H C 0.273 175.622 175.328 0.036 0.000 1.048 139 H CA 1.163 57.229 56.048 0.031 0.000 1.365 139 H CB 0.489 30.262 29.762 0.018 0.000 1.421 139 H HN 0.309 nan 8.280 nan 0.000 0.533 140 I N 0.434 121.093 120.570 0.147 0.000 2.894 140 I HA 0.315 4.485 4.170 -0.000 0.000 0.302 140 I C -0.921 175.181 176.117 -0.025 0.000 1.188 140 I CA -0.721 60.607 61.300 0.047 0.000 1.014 140 I CB 3.377 41.391 38.000 0.023 0.000 1.242 140 I HN -0.178 nan 8.210 nan 0.000 0.430 141 I N 4.484 125.014 120.570 -0.067 0.000 2.499 141 I HA 0.455 4.625 4.170 -0.000 0.000 0.288 141 I C -0.988 175.067 176.117 -0.104 0.000 1.048 141 I CA -0.827 60.399 61.300 -0.123 0.000 1.062 141 I CB 2.197 40.127 38.000 -0.117 0.000 1.238 141 I HN 0.115 nan 8.210 nan 0.000 0.426 142 V N 4.629 124.473 119.914 -0.116 0.000 2.555 142 V HA 0.491 4.611 4.120 -0.000 0.000 0.302 142 V C -0.528 175.520 176.094 -0.076 0.000 1.038 142 V CA -0.570 61.671 62.300 -0.099 0.000 0.887 142 V CB 1.755 33.510 31.823 -0.115 0.000 0.991 142 V HN 0.796 nan 8.190 nan 0.000 0.434 143 C N 2.964 122.227 119.300 -0.062 0.000 2.396 143 C HA 0.774 5.234 4.460 -0.000 0.000 0.321 143 C C 0.876 175.844 174.990 -0.035 0.000 1.233 143 C CA -0.603 58.392 59.018 -0.038 0.000 1.440 143 C CB 0.939 28.666 27.740 -0.022 0.000 2.110 143 C HN 1.115 nan 8.230 nan 0.000 0.473 144 G N 3.238 112.023 108.800 -0.025 0.000 4.975 144 G HA2 0.475 4.435 3.960 -0.000 0.000 0.312 144 G HA3 0.475 4.435 3.960 -0.000 0.000 0.312 144 G C -0.127 174.768 174.900 -0.008 0.000 1.425 144 G CA -0.093 44.992 45.100 -0.025 0.000 1.076 144 G HN 0.667 nan 8.290 nan 0.000 0.586 145 L N 0.187 121.411 121.223 0.002 0.000 2.482 145 L HA 0.354 4.694 4.340 -0.000 0.000 0.242 145 L C 0.903 177.778 176.870 0.009 0.000 1.210 145 L CA -0.503 54.343 54.840 0.011 0.000 0.819 145 L CB 0.890 42.961 42.059 0.019 0.000 1.203 145 L HN 0.392 nan 8.230 nan 0.000 0.495 146 D N -1.540 118.863 120.400 0.005 0.000 2.582 146 D HA 0.093 4.733 4.640 -0.000 0.000 0.246 146 D C -0.332 175.960 176.300 -0.013 0.000 1.334 146 D CA -0.024 53.976 54.000 -0.001 0.000 0.805 146 D CB 0.547 41.345 40.800 -0.003 0.000 1.087 146 D HN 0.420 nan 8.370 nan 0.000 0.499 147 S N -1.119 114.570 115.700 -0.018 0.000 2.570 147 S HA 0.476 4.946 4.470 -0.000 0.000 0.270 147 S C 0.698 175.258 174.600 -0.066 0.000 1.149 147 S CA -0.828 57.343 58.200 -0.048 0.000 0.837 147 S CB 1.080 64.253 63.200 -0.045 0.000 1.124 147 S HN -0.065 nan 8.310 nan 0.000 0.465 148 I N 0.883 121.365 120.570 -0.146 0.000 2.233 148 I HA -0.077 4.092 4.170 -0.000 0.000 0.243 148 I C 1.743 177.814 176.117 -0.078 0.000 1.093 148 I CA 0.940 62.111 61.300 -0.214 0.000 1.380 148 I CB -0.509 37.222 38.000 -0.448 0.000 1.067 148 I HN 0.598 nan 8.210 nan 0.000 0.413 149 I N 1.694 122.231 120.570 -0.055 0.000 2.151 149 I HA -0.300 3.869 4.170 -0.000 0.000 0.243 149 I C 2.752 178.909 176.117 0.067 0.000 1.080 149 I CA 1.824 63.130 61.300 0.009 0.000 1.339 149 I CB -1.301 36.697 38.000 -0.003 0.000 1.039 149 I HN 0.140 nan 8.210 nan 0.000 0.409 150 A N 0.452 123.293 122.820 0.035 0.000 1.877 150 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 150 A C 2.506 180.158 177.584 0.113 0.000 1.186 150 A CA 1.675 53.748 52.037 0.060 0.000 0.620 150 A CB -0.620 18.387 19.000 0.011 0.000 0.822 150 A HN 0.366 nan 8.150 nan 0.000 0.443 151 R N -0.758 119.787 120.500 0.076 0.000 2.081 151 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 151 R C 2.437 178.796 176.300 0.097 0.000 1.131 151 R CA 1.595 57.745 56.100 0.084 0.000 0.960 151 R CB -0.281 30.076 30.300 0.095 0.000 0.856 151 R HN 0.497 nan 8.270 nan 0.000 0.436 152 R N -0.971 119.589 120.500 0.100 0.000 2.115 152 R HA -0.163 4.176 4.340 -0.000 0.000 0.230 152 R C 1.866 178.225 176.300 0.097 0.000 1.111 152 R CA 1.397 57.550 56.100 0.087 0.000 0.976 152 R CB -0.212 30.132 30.300 0.073 0.000 0.870 152 R HN 0.364 nan 8.270 nan 0.000 0.445 153 W N 0.621 121.901 121.300 -0.033 0.000 2.476 153 W HA -0.056 4.604 4.660 -0.000 0.000 0.281 153 W C 1.686 178.155 176.519 -0.082 0.000 1.230 153 W CA 0.478 57.796 57.345 -0.044 0.000 1.287 153 W CB 0.078 29.520 29.460 -0.031 0.000 1.108 153 W HN -0.031 nan 8.180 nan 0.000 0.567 154 I N 1.235 121.984 120.570 0.298 0.000 3.059 154 I HA -0.095 4.075 4.170 -0.000 0.000 0.270 154 I C 1.833 177.902 176.117 -0.081 0.000 1.238 154 I CA 1.494 62.860 61.300 0.110 0.000 1.478 154 I CB -0.764 37.301 38.000 0.107 0.000 1.097 154 I HN 0.030 nan 8.210 nan 0.000 0.455 155 N N 0.472 119.142 118.700 -0.050 0.000 2.171 155 N HA -0.063 4.677 4.740 -0.000 0.000 0.184 155 N C 2.037 177.467 175.510 -0.134 0.000 1.021 155 N CA 1.608 54.619 53.050 -0.065 0.000 0.854 155 N CB -0.587 37.891 38.487 -0.015 0.000 0.994 155 N HN 0.323 nan 8.380 nan 0.000 0.426 156 G N 0.141 108.819 108.800 -0.204 0.000 2.422 156 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 156 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 156 G C 1.491 176.182 174.900 -0.348 0.000 1.146 156 G CA 0.965 45.897 45.100 -0.279 0.000 0.769 156 G HN 0.318 nan 8.290 nan 0.000 0.547 157 M N 0.353 119.663 119.600 -0.483 0.000 2.086 157 M HA 0.119 4.599 4.480 -0.000 0.000 0.261 157 M C 2.345 178.497 176.300 -0.247 0.000 1.067 157 M CA 1.282 56.308 55.300 -0.457 0.000 1.116 157 M CB -0.391 31.838 32.600 -0.619 0.000 1.348 157 M HN 0.173 nan 8.290 nan 0.000 0.407 158 L N -1.129 119.971 121.223 -0.206 0.000 2.093 158 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 158 L C 2.336 179.158 176.870 -0.079 0.000 1.085 158 L CA 0.996 55.766 54.840 -0.116 0.000 0.755 158 L CB -0.706 41.294 42.059 -0.098 0.000 0.904 158 L HN 0.315 nan 8.230 nan 0.000 0.435 159 I N -0.768 119.751 120.570 -0.086 0.000 2.315 159 I HA -0.280 3.890 4.170 -0.000 0.000 0.248 159 I C 2.855 178.953 176.117 -0.032 0.000 1.117 159 I CA 1.178 62.454 61.300 -0.041 0.000 1.404 159 I CB -0.202 37.772 38.000 -0.043 0.000 1.071 159 I HN 0.245 nan 8.210 nan 0.000 0.419 160 S N 1.396 117.049 115.700 -0.078 0.000 2.374 160 S HA -0.180 4.289 4.470 -0.000 0.000 0.227 160 S C 1.922 176.508 174.600 -0.025 0.000 1.037 160 S CA 1.356 59.517 58.200 -0.065 0.000 1.024 160 S CB -0.410 62.720 63.200 -0.116 0.000 0.861 160 S HN 0.417 nan 8.310 nan 0.000 0.456 161 L N 1.136 122.343 121.223 -0.027 0.000 2.633 161 L HA 0.148 4.488 4.340 -0.000 0.000 0.235 161 L C 0.278 177.141 176.870 -0.011 0.000 1.163 161 L CA 0.042 54.877 54.840 -0.009 0.000 0.859 161 L CB -0.629 41.426 42.059 -0.005 0.000 0.973 161 L HN 0.297 nan 8.230 nan 0.000 0.451 162 L N 0.775 121.997 121.223 -0.001 0.000 2.319 162 L HA 0.106 4.446 4.340 -0.000 0.000 0.280 162 L C 0.247 177.118 176.870 0.002 0.000 1.099 162 L CA -0.076 54.748 54.840 -0.027 0.000 0.828 162 L CB 0.528 42.587 42.059 0.000 0.000 1.150 162 L HN 0.039 nan 8.230 nan 0.000 0.442 163 N N 2.654 121.309 118.700 -0.075 0.000 2.609 163 N HA 0.175 4.915 4.740 -0.000 0.000 0.234 163 N C -1.237 174.224 175.510 -0.082 0.000 1.001 163 N CA -0.334 52.698 53.050 -0.030 0.000 0.926 163 N CB 0.275 38.743 38.487 -0.031 0.000 1.130 163 N HN 0.245 nan 8.380 nan 0.000 0.510 164 Y N 1.497 121.790 120.300 -0.012 0.000 2.600 164 Y HA 0.128 4.677 4.550 -0.000 0.000 0.351 164 Y C 0.412 176.308 175.900 -0.008 0.000 1.042 164 Y CA -0.379 57.715 58.100 -0.010 0.000 1.333 164 Y CB 0.379 38.832 38.460 -0.013 0.000 1.172 164 Y HN 0.414 nan 8.280 nan 0.000 0.517 165 E N 4.083 124.332 120.200 0.081 0.000 1.858 165 E HA -0.052 4.298 4.350 -0.000 0.000 0.278 165 E C -0.728 175.913 176.600 0.069 0.000 1.172 165 E CA -0.013 56.421 56.400 0.057 0.000 1.127 165 E CB -0.392 29.320 29.700 0.020 0.000 1.084 165 E HN 0.541 nan 8.360 nan 0.000 0.455 166 D N 2.254 122.702 120.400 0.079 0.000 2.904 166 D HA -0.231 4.408 4.640 -0.000 0.000 0.231 166 D C 0.996 177.337 176.300 0.068 0.000 1.185 166 D CA 1.314 55.349 54.000 0.058 0.000 0.783 166 D CB -1.084 39.737 40.800 0.034 0.000 0.961 166 D HN 0.835 nan 8.370 nan 0.000 0.409 167 G N -1.600 107.264 108.800 0.106 0.000 2.729 167 G HA2 -0.340 3.619 3.960 -0.000 0.000 0.216 167 G HA3 -0.340 3.619 3.960 -0.000 0.000 0.216 167 G C 0.366 175.371 174.900 0.175 0.000 1.252 167 G CA -0.019 45.149 45.100 0.113 0.000 0.751 167 G HN 0.683 nan 8.290 nan 0.000 0.527 168 V N 2.921 122.903 119.914 0.114 0.000 2.405 168 V HA 0.525 4.645 4.120 -0.000 0.000 0.264 168 V C 0.626 176.726 176.094 0.011 0.000 1.048 168 V CA -0.118 62.221 62.300 0.066 0.000 0.966 168 V CB 1.212 33.051 31.823 0.027 0.000 1.015 168 V HN 0.628 nan 8.190 nan 0.000 0.477 169 L N 5.545 126.717 121.223 -0.085 0.000 2.369 169 L HA 0.359 4.699 4.340 -0.000 0.000 0.279 169 L C 0.197 176.928 176.870 -0.232 0.000 1.108 169 L CA 0.032 54.631 54.840 -0.401 0.000 0.852 169 L CB 0.589 42.247 42.059 -0.670 0.000 1.169 169 L HN 0.736 nan 8.230 nan 0.000 0.452 170 D N 7.337 127.617 120.400 -0.200 0.000 2.417 170 D HA 0.119 4.759 4.640 -0.000 0.000 0.250 170 D C -1.652 174.576 176.300 -0.121 0.000 1.166 170 D CA -1.448 52.481 54.000 -0.117 0.000 0.881 170 D CB 1.215 41.966 40.800 -0.083 0.000 1.164 170 D HN 0.463 nan 8.370 nan 0.000 0.467 171 P HA -0.127 nan 4.420 nan 0.000 0.225 171 P C 0.940 178.214 177.300 -0.043 0.000 1.156 171 P CA 0.665 63.729 63.100 -0.061 0.000 0.787 171 P CB 0.054 31.733 31.700 -0.034 0.000 0.802 172 S N -0.079 115.600 115.700 -0.035 0.000 2.561 172 S HA -0.029 4.441 4.470 -0.000 0.000 0.225 172 S C 1.739 176.327 174.600 -0.020 0.000 0.977 172 S CA 0.757 58.948 58.200 -0.016 0.000 0.926 172 S CB -1.242 61.954 63.200 -0.007 0.000 0.769 172 S HN 0.244 nan 8.310 nan 0.000 0.533 173 S N 0.708 116.381 115.700 -0.045 0.000 2.660 173 S HA 0.414 4.884 4.470 -0.000 0.000 0.227 173 S C 0.156 174.727 174.600 -0.049 0.000 0.948 173 S CA -0.810 57.362 58.200 -0.046 0.000 0.948 173 S CB -0.744 62.416 63.200 -0.066 0.000 0.779 173 S HN 0.539 nan 8.310 nan 0.000 0.487 174 I N 1.618 122.164 120.570 -0.040 0.000 2.354 174 I HA 0.421 4.590 4.170 -0.000 0.000 0.292 174 I C -0.863 175.247 176.117 -0.011 0.000 0.989 174 I CA -1.068 60.212 61.300 -0.035 0.000 1.188 174 I CB 2.026 40.002 38.000 -0.041 0.000 1.342 174 I HN -0.052 nan 8.210 nan 0.000 0.457 175 V N 7.998 127.906 119.914 -0.011 0.000 2.334 175 V HA 0.296 4.415 4.120 -0.000 0.000 0.281 175 V C -2.231 173.857 176.094 -0.010 0.000 1.016 175 V CA -1.843 60.459 62.300 0.003 0.000 0.832 175 V CB 1.334 33.163 31.823 0.009 0.000 0.999 175 V HN 0.567 nan 8.190 nan 0.000 0.439 176 P HA 0.124 nan 4.420 nan 0.000 0.265 176 P C -0.816 176.464 177.300 -0.033 0.000 1.193 176 P CA -0.114 62.973 63.100 -0.021 0.000 0.765 176 P CB 0.524 32.213 31.700 -0.019 0.000 0.823 177 L N 5.367 126.565 121.223 -0.042 0.000 2.316 177 L HA 0.497 4.837 4.340 -0.000 0.000 0.280 177 L C -1.250 175.584 176.870 -0.061 0.000 1.006 177 L CA -0.381 54.428 54.840 -0.052 0.000 0.836 177 L CB 0.635 42.665 42.059 -0.048 0.000 1.221 177 L HN 0.125 nan 8.230 nan 0.000 0.418 178 I N 5.296 125.822 120.570 -0.072 0.000 2.312 178 I HA 0.403 4.573 4.170 -0.000 0.000 0.290 178 I C -0.031 176.034 176.117 -0.087 0.000 1.008 178 I CA 0.025 61.273 61.300 -0.085 0.000 1.226 178 I CB 1.162 39.108 38.000 -0.091 0.000 1.371 178 I HN 0.601 nan 8.210 nan 0.000 0.468 179 D N 4.667 125.009 120.400 -0.097 0.000 2.228 179 D HA 0.720 5.360 4.640 -0.000 0.000 0.247 179 D C -0.611 175.621 176.300 -0.114 0.000 0.995 179 D CA -0.462 53.484 54.000 -0.089 0.000 0.903 179 D CB 2.467 43.224 40.800 -0.071 0.000 1.205 179 D HN 0.617 nan 8.370 nan 0.000 0.459 180 G N -0.407 108.341 108.800 -0.087 0.000 2.690 180 G HA2 0.630 4.590 3.960 -0.000 0.000 0.293 180 G HA3 0.630 4.590 3.960 -0.000 0.000 0.293 180 G C -1.111 173.759 174.900 -0.051 0.000 1.399 180 G CA -0.671 44.374 45.100 -0.092 0.000 0.890 180 G HN 0.540 nan 8.290 nan 0.000 0.485 181 G N -0.666 108.109 108.800 -0.041 0.000 2.746 181 G HA2 0.640 4.600 3.960 -0.000 0.000 0.297 181 G HA3 0.640 4.600 3.960 -0.000 0.000 0.297 181 G C -1.162 173.747 174.900 0.015 0.000 1.426 181 G CA -0.334 44.770 45.100 0.006 0.000 0.989 181 G HN 0.655 nan 8.290 nan 0.000 0.520 182 T N 0.808 115.375 114.554 0.022 0.000 2.900 182 T HA 0.710 5.060 4.350 -0.000 0.000 0.295 182 T C -1.071 173.645 174.700 0.027 0.000 1.044 182 T CA -0.538 61.576 62.100 0.024 0.000 0.995 182 T CB 2.099 70.962 68.868 -0.008 0.000 1.072 182 T HN 0.518 nan 8.240 nan 0.000 0.473 183 E N 1.202 121.420 120.200 0.031 0.000 2.539 183 E HA 0.445 4.795 4.350 -0.000 0.000 0.332 183 E C 0.311 176.910 176.600 -0.001 0.000 0.910 183 E CA -0.436 55.974 56.400 0.017 0.000 0.785 183 E CB 1.425 31.155 29.700 0.050 0.000 1.406 183 E HN 0.969 nan 8.360 nan 0.000 0.391 184 G N 2.266 111.014 108.800 -0.087 0.000 2.561 184 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.289 184 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.289 184 G C 0.130 174.856 174.900 -0.290 0.000 1.169 184 G CA 0.454 45.429 45.100 -0.207 0.000 0.980 184 G HN 0.478 nan 8.290 nan 0.000 0.550 185 F N 2.585 122.587 119.950 0.086 0.000 2.660 185 F HA 0.456 4.983 4.527 -0.000 0.000 0.297 185 F C 1.258 177.147 175.800 0.149 0.000 1.132 185 F CA 0.407 58.477 58.000 0.118 0.000 1.372 185 F CB 0.417 39.459 39.000 0.069 0.000 1.003 185 F HN 0.094 nan 8.300 nan 0.000 0.524 186 K N -0.421 120.132 120.400 0.256 0.000 2.340 186 K HA 0.844 5.163 4.320 -0.000 0.000 0.244 186 K C -0.073 176.679 176.600 0.254 0.000 0.973 186 K CA -0.920 55.520 56.287 0.255 0.000 0.828 186 K CB 2.280 34.887 32.500 0.177 0.000 1.226 186 K HN 0.116 nan 8.250 nan 0.000 0.437 187 G N 0.730 109.697 108.800 0.279 0.000 2.506 187 G HA2 0.385 4.345 3.960 -0.000 0.000 0.292 187 G HA3 0.385 4.345 3.960 -0.000 0.000 0.292 187 G C -2.141 172.844 174.900 0.142 0.000 1.425 187 G CA -0.767 44.437 45.100 0.173 0.000 0.788 187 G HN 0.661 nan 8.290 nan 0.000 0.490 188 N N -0.920 117.796 118.700 0.027 0.000 2.521 188 N HA 0.615 5.355 4.740 -0.000 0.000 0.269 188 N C -0.844 174.559 175.510 -0.178 0.000 1.079 188 N CA -0.143 52.868 53.050 -0.065 0.000 0.980 188 N CB 1.661 40.097 38.487 -0.085 0.000 1.667 188 N HN 1.129 nan 8.380 nan 0.000 0.498 189 A N 1.545 124.235 122.820 -0.218 0.000 2.320 189 A HA 0.865 5.185 4.320 -0.000 0.000 0.334 189 A C -0.276 177.106 177.584 -0.338 0.000 1.147 189 A CA -0.739 51.161 52.037 -0.230 0.000 0.820 189 A CB 1.030 19.923 19.000 -0.178 0.000 1.218 189 A HN 0.814 nan 8.150 nan 0.000 0.482 190 R N 1.283 121.610 120.500 -0.289 0.000 2.548 190 R HA 0.540 4.880 4.340 -0.000 0.000 0.280 190 R C -2.197 173.995 176.300 -0.180 0.000 1.061 190 R CA -0.376 55.539 56.100 -0.307 0.000 0.915 190 R CB 1.924 31.982 30.300 -0.403 0.000 1.210 190 R HN 0.526 nan 8.270 nan 0.000 0.442 191 V N 6.245 126.072 119.914 -0.144 0.000 2.398 191 V HA 0.495 4.615 4.120 -0.000 0.000 0.286 191 V C 0.045 176.099 176.094 -0.068 0.000 1.026 191 V CA -0.515 61.728 62.300 -0.096 0.000 0.868 191 V CB 1.468 33.243 31.823 -0.081 0.000 0.982 191 V HN 0.623 nan 8.190 nan 0.000 0.443 192 I N 5.753 126.291 120.570 -0.053 0.000 2.465 192 I HA 0.467 4.637 4.170 -0.000 0.000 0.291 192 I C -0.751 175.350 176.117 -0.027 0.000 1.014 192 I CA -0.509 60.772 61.300 -0.032 0.000 1.093 192 I CB 2.081 40.065 38.000 -0.027 0.000 1.267 192 I HN 0.384 nan 8.210 nan 0.000 0.431 193 L N 7.873 129.086 121.223 -0.016 0.000 2.356 193 L HA 0.416 4.756 4.340 -0.000 0.000 0.264 193 L C -2.412 174.452 176.870 -0.010 0.000 1.029 193 L CA -1.788 53.043 54.840 -0.016 0.000 0.897 193 L CB 0.943 42.996 42.059 -0.011 0.000 1.256 193 L HN 0.235 nan 8.230 nan 0.000 0.444 194 P HA -0.070 nan 4.420 nan 0.000 0.259 194 P C 0.993 178.292 177.300 -0.001 0.000 1.163 194 P CA 1.018 64.113 63.100 -0.008 0.000 0.760 194 P CB 0.569 32.256 31.700 -0.021 0.000 0.762 195 G N 2.341 111.162 108.800 0.035 0.000 2.155 195 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.257 195 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.257 195 G C 0.503 175.434 174.900 0.052 0.000 0.983 195 G CA 0.613 45.759 45.100 0.077 0.000 0.676 195 G HN 0.500 nan 8.290 nan 0.000 0.528 196 M N -2.112 117.506 119.600 0.030 0.000 1.978 196 M HA 0.170 4.650 4.480 -0.000 0.000 0.183 196 M C 1.141 177.458 176.300 0.028 0.000 1.661 196 M CA 0.595 55.911 55.300 0.026 0.000 0.926 196 M CB 0.331 32.936 32.600 0.008 0.000 1.530 196 M HN 0.099 nan 8.290 nan 0.000 0.591 197 T N 1.327 115.894 114.554 0.020 0.000 2.847 197 T HA 0.625 4.975 4.350 -0.000 0.000 0.279 197 T C -0.272 174.444 174.700 0.027 0.000 0.984 197 T CA -0.337 61.775 62.100 0.021 0.000 0.988 197 T CB 1.188 70.061 68.868 0.008 0.000 1.040 197 T HN 0.312 nan 8.240 nan 0.000 0.528 198 A N 1.067 123.907 122.820 0.034 0.000 2.511 198 A HA 0.403 4.722 4.320 -0.000 0.000 0.242 198 A C 0.900 178.509 177.584 0.042 0.000 1.069 198 A CA -0.382 51.682 52.037 0.045 0.000 0.763 198 A CB -0.908 18.127 19.000 0.059 0.000 1.001 198 A HN 1.060 nan 8.150 nan 0.000 0.498 199 C N 1.686 121.012 119.300 0.044 0.000 2.407 199 C HA 0.649 5.109 4.460 -0.000 0.000 0.366 199 C C 1.718 176.743 174.990 0.059 0.000 1.213 199 C CA -0.731 58.310 59.018 0.038 0.000 2.011 199 C CB -0.056 27.699 27.740 0.025 0.000 2.306 199 C HN 0.861 nan 8.230 nan 0.000 0.527 200 I N 0.475 121.080 120.570 0.058 0.000 2.399 200 I HA -0.177 3.993 4.170 -0.000 0.000 0.254 200 I C 2.469 178.655 176.117 0.115 0.000 1.146 200 I CA 1.844 63.201 61.300 0.094 0.000 1.412 200 I CB -0.291 37.764 38.000 0.091 0.000 1.076 200 I HN 0.847 nan 8.210 nan 0.000 0.432 201 E N -0.261 119.987 120.200 0.079 0.000 2.230 201 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 201 E C 2.113 178.759 176.600 0.077 0.000 0.987 201 E CA 0.567 57.014 56.400 0.078 0.000 0.841 201 E CB -0.071 29.656 29.700 0.045 0.000 0.783 201 E HN 0.418 nan 8.360 nan 0.000 0.481 202 C N 0.055 119.396 119.300 0.069 0.000 2.419 202 C HA -0.053 4.406 4.460 -0.000 0.000 0.283 202 C C 2.150 177.181 174.990 0.069 0.000 1.373 202 C CA 1.658 60.714 59.018 0.063 0.000 1.781 202 C CB -1.041 26.734 27.740 0.059 0.000 1.886 202 C HN 0.596 nan 8.230 nan 0.000 0.520 203 T N -3.518 111.087 114.554 0.085 0.000 3.091 203 T HA 0.135 4.484 4.350 -0.000 0.000 0.277 203 T C 1.172 175.926 174.700 0.090 0.000 0.996 203 T CA -0.139 62.004 62.100 0.072 0.000 0.897 203 T CB -0.326 68.593 68.868 0.085 0.000 1.109 203 T HN 0.130 nan 8.240 nan 0.000 0.534 204 L N 2.139 123.449 121.223 0.146 0.000 2.386 204 L HA -0.122 4.218 4.340 -0.000 0.000 0.220 204 L C 1.851 178.861 176.870 0.234 0.000 1.115 204 L CA 1.703 56.686 54.840 0.238 0.000 0.780 204 L CB -0.539 41.616 42.059 0.160 0.000 0.902 204 L HN 0.455 nan 8.230 nan 0.000 0.442 205 E N -1.765 118.511 120.200 0.127 0.000 2.472 205 E HA 0.025 4.375 4.350 -0.000 0.000 0.196 205 E C 1.943 178.585 176.600 0.069 0.000 1.033 205 E CA -0.034 56.426 56.400 0.101 0.000 0.886 205 E CB 0.065 29.802 29.700 0.061 0.000 0.944 205 E HN 0.498 nan 8.360 nan 0.000 0.492 206 L N 0.395 121.624 121.223 0.010 0.000 2.478 206 L HA -0.003 4.337 4.340 -0.000 0.000 0.223 206 L C 0.536 177.388 176.870 -0.030 0.000 1.140 206 L CA 0.344 55.160 54.840 -0.041 0.000 0.842 206 L CB -0.231 41.771 42.059 -0.095 0.000 0.953 206 L HN 0.120 nan 8.230 nan 0.000 0.452 207 Y N 1.612 121.963 120.300 0.085 0.000 2.411 207 Y HA 0.086 4.636 4.550 -0.000 0.000 0.333 207 Y C -1.169 174.763 175.900 0.054 0.000 1.186 207 Y CA -2.087 56.058 58.100 0.076 0.000 1.381 207 Y CB -0.010 38.487 38.460 0.061 0.000 1.273 207 Y HN -0.014 nan 8.280 nan 0.000 0.546 208 P HA 0.052 nan 4.420 nan 0.000 0.280 208 P C -2.558 174.806 177.300 0.107 0.000 1.278 208 P CA -0.873 62.306 63.100 0.132 0.000 0.787 208 P CB -0.162 31.606 31.700 0.115 0.000 1.163 209 P HA 0.255 nan 4.420 nan 0.000 0.290 209 P C -1.014 176.296 177.300 0.017 0.000 1.283 209 P CA -0.527 62.597 63.100 0.040 0.000 0.869 209 P CB 1.115 32.835 31.700 0.033 0.000 1.100 210 Q N 0.547 120.342 119.800 -0.008 0.000 2.257 210 Q HA 0.432 4.772 4.340 -0.000 0.000 0.255 210 Q C -0.481 175.473 176.000 -0.077 0.000 0.920 210 Q CA -1.121 54.657 55.803 -0.043 0.000 0.927 210 Q CB 0.973 29.676 28.738 -0.059 0.000 1.229 210 Q HN 0.118 nan 8.270 nan 0.000 0.433 211 V N 3.424 123.269 119.914 -0.116 0.000 2.420 211 V HA -0.011 4.109 4.120 -0.000 0.000 0.274 211 V C -0.524 175.349 176.094 -0.369 0.000 1.003 211 V CA 0.020 62.201 62.300 -0.199 0.000 1.092 211 V CB -0.940 30.748 31.823 -0.224 0.000 1.002 211 V HN 0.718 nan 8.190 nan 0.000 0.473 212 N N 4.961 123.505 118.700 -0.260 0.000 2.569 212 N HA 0.457 5.196 4.740 -0.000 0.000 0.254 212 N C -0.597 174.844 175.510 -0.114 0.000 1.004 212 N CA -0.379 52.523 53.050 -0.246 0.000 0.904 212 N CB 0.878 39.300 38.487 -0.109 0.000 1.165 212 N HN 0.515 nan 8.380 nan 0.000 0.513 213 F N 1.969 121.923 119.950 0.007 0.000 2.578 213 F HA 0.187 4.714 4.527 -0.000 0.000 0.381 213 F C -1.327 174.446 175.800 -0.047 0.000 1.069 213 F CA -1.646 56.337 58.000 -0.028 0.000 1.231 213 F CB 0.197 39.174 39.000 -0.038 0.000 1.086 213 F HN 0.207 nan 8.300 nan 0.000 0.564 214 P HA -0.026 nan 4.420 nan 0.000 0.267 214 P C 0.745 178.065 177.300 0.032 0.000 1.209 214 P CA -0.128 63.003 63.100 0.052 0.000 0.763 214 P CB 0.588 32.302 31.700 0.022 0.000 0.816 215 M N 3.036 122.660 119.600 0.040 0.000 2.337 215 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 215 M C 1.581 177.893 176.300 0.020 0.000 1.067 215 M CA 1.653 56.978 55.300 0.041 0.000 1.074 215 M CB -1.185 31.440 32.600 0.043 0.000 1.395 215 M HN 0.424 nan 8.290 nan 0.000 0.431 216 A N -0.897 121.925 122.820 0.004 0.000 1.968 216 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 216 A C 2.079 179.637 177.584 -0.043 0.000 1.169 216 A CA 1.971 54.003 52.037 -0.007 0.000 0.638 216 A CB -0.795 18.204 19.000 -0.002 0.000 0.812 216 A HN 0.604 nan 8.150 nan 0.000 0.446 217 T N -3.003 111.499 114.554 -0.087 0.000 3.057 217 T HA 0.212 4.562 4.350 -0.000 0.000 0.254 217 T C 1.613 176.158 174.700 -0.259 0.000 1.094 217 T CA 0.745 62.739 62.100 -0.176 0.000 1.088 217 T CB -0.347 68.376 68.868 -0.243 0.000 0.934 217 T HN 0.303 nan 8.240 nan 0.000 0.497 218 I N 0.996 121.462 120.570 -0.173 0.000 2.716 218 I HA 0.194 4.364 4.170 -0.000 0.000 0.259 218 I C 2.872 178.953 176.117 -0.061 0.000 1.172 218 I CA 0.885 62.108 61.300 -0.128 0.000 1.478 218 I CB -0.203 37.808 38.000 0.019 0.000 1.104 218 I HN 0.381 nan 8.210 nan 0.000 0.439 219 A N -0.285 122.523 122.820 -0.020 0.000 1.920 219 A HA 0.023 4.343 4.320 -0.000 0.000 0.209 219 A C 2.362 179.903 177.584 -0.073 0.000 1.229 219 A CA 0.920 52.969 52.037 0.019 0.000 0.671 219 A CB -0.290 18.771 19.000 0.102 0.000 0.886 219 A HN 0.237 nan 8.150 nan 0.000 0.461 220 S N 0.095 115.761 115.700 -0.056 0.000 2.355 220 S HA 0.122 4.591 4.470 -0.000 0.000 0.216 220 S C 1.009 175.578 174.600 -0.051 0.000 1.037 220 S CA 1.153 59.338 58.200 -0.026 0.000 0.955 220 S CB -0.180 63.019 63.200 -0.001 0.000 0.877 220 S HN 0.647 nan 8.310 nan 0.000 0.488 221 M N 1.371 120.910 119.600 -0.101 0.000 2.065 221 M HA 0.517 4.997 4.480 -0.000 0.000 0.308 221 M C -3.365 172.822 176.300 -0.189 0.000 0.939 221 M CA -1.988 53.253 55.300 -0.098 0.000 0.890 221 M CB 0.963 33.548 32.600 -0.025 0.000 1.383 221 M HN -0.212 nan 8.290 nan 0.000 0.381 222 P HA 0.378 nan 4.420 nan 0.000 0.275 222 P C -0.218 177.041 177.300 -0.069 0.000 1.228 222 P CA -0.176 62.753 63.100 -0.286 0.000 0.786 222 P CB 1.168 32.492 31.700 -0.627 0.000 0.927 223 R N 0.880 121.460 120.500 0.133 0.000 2.562 223 R HA 0.310 4.650 4.340 -0.000 0.000 0.191 223 R C 0.224 176.422 176.300 -0.169 0.000 0.835 223 R CA 0.053 56.158 56.100 0.008 0.000 1.036 223 R CB 0.222 30.564 30.300 0.070 0.000 1.437 223 R HN 0.326 nan 8.270 nan 0.000 0.654 224 L N 0.460 121.398 121.223 -0.475 0.000 2.304 224 L HA 0.456 4.795 4.340 -0.000 0.000 0.268 224 L C -1.996 174.678 176.870 -0.327 0.000 1.010 224 L CA -2.327 52.223 54.840 -0.483 0.000 0.813 224 L CB 1.246 42.860 42.059 -0.742 0.000 1.315 224 L HN -0.241 nan 8.230 nan 0.000 0.445 225 P HA -0.118 nan 4.420 nan 0.000 0.215 225 P C 0.943 178.181 177.300 -0.103 0.000 1.157 225 P CA 1.007 64.044 63.100 -0.104 0.000 0.863 225 P CB 0.325 31.995 31.700 -0.049 0.000 0.787 226 E N -1.180 118.933 120.200 -0.146 0.000 2.108 226 E HA -0.253 4.097 4.350 -0.000 0.000 0.203 226 E C 1.911 178.440 176.600 -0.119 0.000 1.022 226 E CA 1.542 57.889 56.400 -0.089 0.000 0.823 226 E CB -1.063 28.580 29.700 -0.095 0.000 0.744 226 E HN 0.531 nan 8.360 nan 0.000 0.456 227 H N -1.454 117.383 119.070 -0.389 0.000 2.422 227 H HA -0.124 4.431 4.556 -0.000 0.000 0.298 227 H C 1.959 177.173 175.328 -0.190 0.000 1.098 227 H CA 0.875 56.683 56.048 -0.400 0.000 1.315 227 H CB -0.042 29.484 29.762 -0.393 0.000 1.382 227 H HN 0.269 nan 8.280 nan 0.000 0.523 228 C N 0.266 119.554 119.300 -0.021 0.000 2.486 228 C HA -0.033 4.426 4.460 -0.000 0.000 0.279 228 C C 2.727 177.767 174.990 0.084 0.000 1.302 228 C CA 0.114 59.125 59.018 -0.012 0.000 1.720 228 C CB -0.634 27.076 27.740 -0.051 0.000 2.030 228 C HN 0.493 nan 8.230 nan 0.000 0.490 229 I N 1.261 121.871 120.570 0.067 0.000 2.208 229 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 229 I C 2.577 178.770 176.117 0.126 0.000 1.097 229 I CA 1.629 62.985 61.300 0.094 0.000 1.363 229 I CB -0.531 37.520 38.000 0.085 0.000 1.051 229 I HN 0.299 nan 8.210 nan 0.000 0.413 230 E N 0.287 120.578 120.200 0.152 0.000 2.338 230 E HA -0.241 4.109 4.350 -0.000 0.000 0.197 230 E C 1.833 178.541 176.600 0.180 0.000 1.007 230 E CA 0.993 57.504 56.400 0.186 0.000 0.849 230 E CB -0.227 29.651 29.700 0.296 0.000 0.774 230 E HN 0.547 nan 8.360 nan 0.000 0.506 231 Y N -0.582 119.745 120.300 0.044 0.000 2.153 231 Y HA -0.099 4.450 4.550 -0.000 0.000 0.289 231 Y C 1.938 177.886 175.900 0.081 0.000 1.119 231 Y CA 1.478 59.602 58.100 0.040 0.000 1.116 231 Y CB -0.436 38.020 38.460 -0.007 0.000 1.004 231 Y HN -0.090 nan 8.280 nan 0.000 0.501 232 V N 2.060 122.044 119.914 0.116 0.000 2.469 232 V HA -0.311 3.809 4.120 -0.000 0.000 0.251 232 V C 2.534 178.715 176.094 0.144 0.000 1.064 232 V CA 2.426 64.759 62.300 0.055 0.000 1.066 232 V CB -0.840 31.026 31.823 0.071 0.000 0.667 232 V HN 0.464 nan 8.190 nan 0.000 0.461 233 R N -0.347 120.214 120.500 0.101 0.000 2.090 233 R HA 0.039 4.379 4.340 -0.000 0.000 0.219 233 R C 2.196 178.511 176.300 0.024 0.000 1.100 233 R CA 1.353 57.485 56.100 0.053 0.000 0.991 233 R CB -0.111 30.191 30.300 0.004 0.000 0.893 233 R HN 0.484 nan 8.270 nan 0.000 0.443 234 M N 0.078 119.694 119.600 0.027 0.000 2.501 234 M HA 0.113 4.593 4.480 -0.000 0.000 0.261 234 M C 0.904 177.204 176.300 0.001 0.000 1.129 234 M CA 0.824 56.138 55.300 0.023 0.000 1.126 234 M CB 0.500 33.130 32.600 0.050 0.000 1.359 234 M HN 0.216 nan 8.290 nan 0.000 0.471 235 L N -1.441 119.725 121.223 -0.095 0.000 2.777 235 L HA 0.081 4.420 4.340 -0.000 0.000 0.172 235 L C 2.235 178.996 176.870 -0.182 0.000 1.179 235 L CA 0.103 54.831 54.840 -0.187 0.000 0.859 235 L CB -0.970 40.867 42.059 -0.371 0.000 1.269 235 L HN 0.145 nan 8.230 nan 0.000 0.511 236 Q N 0.256 119.829 119.800 -0.379 0.000 1.967 236 Q HA -0.306 4.034 4.340 -0.000 0.000 0.210 236 Q C 2.016 178.115 176.000 0.165 0.000 1.005 236 Q CA 2.683 58.422 55.803 -0.107 0.000 0.862 236 Q CB -0.375 28.325 28.738 -0.063 0.000 0.939 236 Q HN 0.509 nan 8.270 nan 0.000 0.417 237 W N 1.100 122.481 121.300 0.135 0.000 2.283 237 W HA -0.215 4.445 4.660 -0.000 0.000 0.335 237 W C -1.100 175.414 176.519 -0.009 0.000 1.313 237 W CA 2.159 59.572 57.345 0.113 0.000 1.263 237 W CB -1.829 27.692 29.460 0.102 0.000 1.141 237 W HN 0.221 nan 8.180 nan 0.000 0.468 238 P HA -0.193 nan 4.420 nan 0.000 0.216 238 P C 1.730 179.042 177.300 0.021 0.000 1.150 238 P CA 2.829 66.026 63.100 0.162 0.000 0.837 238 P CB -0.395 31.398 31.700 0.155 0.000 0.786 239 K N 0.481 120.891 120.400 0.018 0.000 2.007 239 K HA -0.131 4.188 4.320 -0.000 0.000 0.206 239 K C 1.066 177.644 176.600 -0.037 0.000 1.047 239 K CA 1.311 57.596 56.287 -0.004 0.000 0.937 239 K CB -0.064 32.442 32.500 0.010 0.000 0.718 239 K HN 0.203 nan 8.250 nan 0.000 0.438 240 E N 1.708 121.879 120.200 -0.049 0.000 2.663 240 E HA 0.066 4.416 4.350 -0.000 0.000 0.240 240 E C -0.872 175.580 176.600 -0.246 0.000 1.227 240 E CA -0.432 55.917 56.400 -0.086 0.000 1.528 240 E CB 0.306 30.008 29.700 0.003 0.000 1.472 240 E HN 0.063 nan 8.360 nan 0.000 0.433 241 Q N 2.285 121.892 119.800 -0.322 0.000 4.116 241 Q HA -0.140 4.199 4.340 -0.000 0.000 0.395 241 Q C -1.251 174.396 176.000 -0.589 0.000 1.060 241 Q CA 0.319 55.809 55.803 -0.520 0.000 1.343 241 Q CB 0.240 28.794 28.738 -0.307 0.000 1.049 241 Q HN 0.536 nan 8.270 nan 0.000 0.477 242 P HA -0.076 nan 4.420 nan 0.000 0.224 242 P C 0.204 177.092 177.300 -0.687 0.000 1.157 242 P CA 0.895 63.430 63.100 -0.942 0.000 0.799 242 P CB 0.274 30.897 31.700 -1.795 0.000 0.809 243 F N 0.592 120.042 119.950 -0.833 0.000 2.928 243 F HA 0.538 5.065 4.527 -0.000 0.000 0.337 243 F C 0.909 176.565 175.800 -0.240 0.000 1.259 243 F CA -0.239 57.527 58.000 -0.391 0.000 1.267 243 F CB 0.213 39.112 39.000 -0.169 0.000 0.986 243 F HN -0.030 nan 8.300 nan 0.000 0.507 244 G N 0.889 109.584 108.800 -0.174 0.000 3.190 244 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.686 244 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.686 244 G C -0.418 174.415 174.900 -0.112 0.000 1.033 244 G CA -1.191 43.841 45.100 -0.112 0.000 0.797 244 G HN 0.290 nan 8.290 nan 0.000 0.567 245 E N 0.748 120.884 120.200 -0.108 0.000 2.558 245 E HA 0.324 4.674 4.350 -0.000 0.000 0.255 245 E C 1.511 178.086 176.600 -0.043 0.000 0.968 245 E CA 1.454 57.801 56.400 -0.088 0.000 0.939 245 E CB 0.507 30.167 29.700 -0.066 0.000 0.921 245 E HN 2.100 nan 8.360 nan 0.000 0.477 246 G N 2.034 110.818 108.800 -0.025 0.000 2.308 246 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.221 246 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.221 246 G C 0.366 175.298 174.900 0.054 0.000 1.032 246 G CA -0.129 44.980 45.100 0.015 0.000 0.623 246 G HN 0.468 nan 8.290 nan 0.000 0.506 247 V N 3.986 123.936 119.914 0.061 0.000 2.425 247 V HA 0.339 4.459 4.120 -0.000 0.000 0.276 247 V C -1.408 174.837 176.094 0.252 0.000 1.017 247 V CA -0.446 61.939 62.300 0.141 0.000 1.062 247 V CB 0.828 32.754 31.823 0.171 0.000 0.997 247 V HN 0.236 nan 8.190 nan 0.000 0.476 248 P HA 0.161 nan 4.420 nan 0.000 0.275 248 P C -0.349 177.046 177.300 0.158 0.000 1.227 248 P CA -0.627 62.600 63.100 0.213 0.000 0.781 248 P CB 0.590 32.345 31.700 0.092 0.000 0.906 249 L N 3.109 124.222 121.223 -0.183 0.000 2.513 249 L HA 0.121 4.461 4.340 -0.000 0.000 0.272 249 L C -0.132 176.567 176.870 -0.286 0.000 1.187 249 L CA 0.586 54.912 54.840 -0.857 0.000 0.895 249 L CB -0.705 40.455 42.059 -1.498 0.000 1.147 249 L HN 0.274 nan 8.230 nan 0.000 0.483 250 D N 3.092 123.509 120.400 0.029 0.000 2.453 250 D HA 0.402 5.042 4.640 -0.000 0.000 0.238 250 D C 1.174 177.450 176.300 -0.040 0.000 1.088 250 D CA 0.102 54.109 54.000 0.011 0.000 0.854 250 D CB 1.455 42.255 40.800 0.001 0.000 1.076 250 D HN 0.659 nan 8.370 nan 0.000 0.533 251 G N 2.888 111.637 108.800 -0.085 0.000 2.499 251 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.221 251 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.221 251 G C 0.712 175.574 174.900 -0.063 0.000 1.109 251 G CA 0.394 45.446 45.100 -0.080 0.000 0.749 251 G HN 0.573 nan 8.290 nan 0.000 0.568 252 D N 0.371 120.732 120.400 -0.066 0.000 2.587 252 D HA 0.093 4.733 4.640 -0.000 0.000 0.233 252 D C -0.595 175.657 176.300 -0.081 0.000 1.213 252 D CA 0.005 53.972 54.000 -0.056 0.000 0.827 252 D CB 0.601 41.374 40.800 -0.043 0.000 1.006 252 D HN 0.123 nan 8.370 nan 0.000 0.490 253 D N 0.742 121.067 120.400 -0.126 0.000 2.438 253 D HA 0.164 4.803 4.640 -0.000 0.000 0.257 253 D C -1.851 174.402 176.300 -0.077 0.000 1.148 253 D CA -2.114 51.759 54.000 -0.212 0.000 0.902 253 D CB 2.039 42.451 40.800 -0.647 0.000 1.062 253 D HN -0.188 nan 8.370 nan 0.000 0.518 254 P HA -0.180 nan 4.420 nan 0.000 0.219 254 P C 0.797 178.216 177.300 0.198 0.000 1.147 254 P CA 1.230 64.414 63.100 0.140 0.000 0.821 254 P CB 0.465 32.229 31.700 0.106 0.000 0.771 255 E N -2.333 117.963 120.200 0.160 0.000 2.122 255 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 255 E C 1.903 178.769 176.600 0.442 0.000 0.977 255 E CA 0.550 57.149 56.400 0.332 0.000 0.820 255 E CB -0.379 29.577 29.700 0.427 0.000 0.770 255 E HN 0.537 nan 8.360 nan 0.000 0.462 256 H N 0.555 119.634 119.070 0.015 0.000 2.299 256 H HA -0.028 4.528 4.556 -0.000 0.000 0.302 256 H C 2.255 177.725 175.328 0.238 0.000 1.078 256 H CA 0.825 56.839 56.048 -0.057 0.000 1.323 256 H CB 0.107 29.683 29.762 -0.310 0.000 1.381 256 H HN 0.070 nan 8.280 nan 0.000 0.498 257 I N 0.949 121.701 120.570 0.304 0.000 2.567 257 I HA -0.240 3.930 4.170 -0.000 0.000 0.257 257 I C 2.428 178.833 176.117 0.479 0.000 1.184 257 I CA 0.987 62.446 61.300 0.265 0.000 1.451 257 I CB -0.076 37.977 38.000 0.087 0.000 1.089 257 I HN 0.286 nan 8.210 nan 0.000 0.441 258 Q N 0.125 120.259 119.800 0.556 0.000 2.269 258 Q HA -0.210 4.130 4.340 -0.000 0.000 0.201 258 Q C 1.867 178.197 176.000 0.550 0.000 0.946 258 Q CA 1.334 57.472 55.803 0.558 0.000 0.877 258 Q CB -0.306 28.654 28.738 0.371 0.000 0.963 258 Q HN 0.559 nan 8.270 nan 0.000 0.472 259 W N -0.297 121.249 121.300 0.411 0.000 2.523 259 W HA 0.126 4.786 4.660 -0.001 0.000 0.278 259 W C 1.284 178.003 176.519 0.334 0.000 1.236 259 W CA 0.847 58.428 57.345 0.392 0.000 1.306 259 W CB 0.054 29.839 29.460 0.541 0.000 1.101 259 W HN 0.111 nan 8.180 nan 0.000 0.577 260 I N -0.076 120.753 120.570 0.432 0.000 2.286 260 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 260 I C 2.368 178.542 176.117 0.094 0.000 1.104 260 I CA 1.142 62.550 61.300 0.180 0.000 1.397 260 I CB -0.798 37.361 38.000 0.264 0.000 1.072 260 I HN -0.040 nan 8.210 nan 0.000 0.417 261 F N 2.060 122.069 119.950 0.098 0.000 2.091 261 F HA -0.334 4.193 4.527 -0.000 0.000 0.299 261 F C 2.536 178.347 175.800 0.019 0.000 1.103 261 F CA 2.068 60.128 58.000 0.099 0.000 1.228 261 F CB -0.555 38.601 39.000 0.260 0.000 0.984 261 F HN 0.013 nan 8.300 nan 0.000 0.477 262 Q N 0.959 120.687 119.800 -0.120 0.000 1.985 262 Q HA -0.208 4.132 4.340 -0.000 0.000 0.207 262 Q C 2.178 177.968 176.000 -0.351 0.000 0.996 262 Q CA 2.246 57.878 55.803 -0.285 0.000 0.851 262 Q CB -0.369 28.263 28.738 -0.177 0.000 0.921 262 Q HN 0.193 nan 8.270 nan 0.000 0.418 263 K N -0.176 119.958 120.400 -0.442 0.000 2.280 263 K HA -0.023 4.297 4.320 -0.000 0.000 0.202 263 K C 2.176 178.663 176.600 -0.188 0.000 1.047 263 K CA 1.057 57.127 56.287 -0.362 0.000 0.942 263 K CB -0.250 31.903 32.500 -0.578 0.000 0.739 263 K HN 0.122 nan 8.250 nan 0.000 0.457 264 S N 1.249 116.838 115.700 -0.185 0.000 2.395 264 S HA 0.050 4.519 4.470 -0.000 0.000 0.225 264 S C 1.945 176.453 174.600 -0.154 0.000 1.027 264 S CA 0.395 58.533 58.200 -0.104 0.000 0.965 264 S CB -0.025 63.145 63.200 -0.049 0.000 0.812 264 S HN 0.195 nan 8.310 nan 0.000 0.482 265 L N 1.278 122.327 121.223 -0.290 0.000 2.201 265 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 265 L C 2.354 179.132 176.870 -0.153 0.000 1.105 265 L CA 1.104 55.779 54.840 -0.275 0.000 0.775 265 L CB -0.346 41.453 42.059 -0.432 0.000 0.913 265 L HN 0.389 nan 8.230 nan 0.000 0.440 266 E N -0.208 119.910 120.200 -0.137 0.000 2.005 266 E HA -0.266 4.084 4.350 -0.000 0.000 0.191 266 E C 2.116 178.701 176.600 -0.025 0.000 0.987 266 E CA 1.101 57.457 56.400 -0.074 0.000 0.814 266 E CB -0.225 29.433 29.700 -0.070 0.000 0.772 266 E HN 0.300 nan 8.360 nan 0.000 0.453 267 R N 1.199 121.694 120.500 -0.007 0.000 2.139 267 R HA -0.190 4.150 4.340 -0.000 0.000 0.243 267 R C 2.119 178.452 176.300 0.056 0.000 1.145 267 R CA 1.585 57.701 56.100 0.027 0.000 0.976 267 R CB -0.263 30.010 30.300 -0.046 0.000 0.866 267 R HN 0.186 nan 8.270 nan 0.000 0.449 268 A N -0.180 122.638 122.820 -0.005 0.000 1.873 268 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 268 A C 2.258 179.859 177.584 0.028 0.000 1.186 268 A CA 1.631 53.667 52.037 -0.002 0.000 0.616 268 A CB -0.899 18.079 19.000 -0.037 0.000 0.823 268 A HN 0.467 nan 8.150 nan 0.000 0.442 269 S N -0.899 114.800 115.700 -0.002 0.000 2.383 269 S HA -0.232 4.238 4.470 -0.000 0.000 0.227 269 S C 2.228 176.830 174.600 0.002 0.000 1.026 269 S CA 1.662 59.858 58.200 -0.006 0.000 0.981 269 S CB -0.383 62.799 63.200 -0.030 0.000 0.818 269 S HN 0.665 nan 8.310 nan 0.000 0.472 270 Q N -0.924 118.884 119.800 0.013 0.000 2.061 270 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 270 Q C 1.212 177.156 176.000 -0.094 0.000 0.984 270 Q CA 1.919 57.697 55.803 -0.042 0.000 0.846 270 Q CB -0.264 28.453 28.738 -0.035 0.000 0.902 270 Q HN 0.748 nan 8.270 nan 0.000 0.421 271 Y N 0.500 120.760 120.300 -0.066 0.000 2.490 271 Y HA 0.132 4.681 4.550 -0.000 0.000 0.281 271 Y C 0.081 175.953 175.900 -0.047 0.000 1.174 271 Y CA 0.277 58.341 58.100 -0.059 0.000 1.295 271 Y CB 0.463 38.880 38.460 -0.071 0.000 1.062 271 Y HN 0.202 nan 8.280 nan 0.000 0.522 272 N N 0.594 119.338 118.700 0.074 0.000 2.814 272 N HA -0.187 4.553 4.740 -0.000 0.000 0.247 272 N C -1.039 174.491 175.510 0.032 0.000 1.089 272 N CA 0.632 53.702 53.050 0.033 0.000 0.682 272 N CB -1.646 36.851 38.487 0.017 0.000 0.970 272 N HN 0.308 nan 8.380 nan 0.000 0.554 273 I N 1.260 121.847 120.570 0.029 0.000 2.330 273 I HA 0.251 4.421 4.170 -0.000 0.000 0.289 273 I C 0.913 177.026 176.117 -0.007 0.000 1.001 273 I CA -0.507 60.793 61.300 0.001 0.000 1.193 273 I CB 1.148 39.136 38.000 -0.020 0.000 1.345 273 I HN -0.169 nan 8.210 nan 0.000 0.461 274 R N 3.877 124.373 120.500 -0.007 0.000 2.531 274 R HA 0.547 4.886 4.340 -0.000 0.000 0.273 274 R C 0.939 177.238 176.300 -0.001 0.000 1.070 274 R CA 0.240 56.340 56.100 0.000 0.000 1.112 274 R CB 0.843 31.145 30.300 0.003 0.000 1.049 274 R HN 0.978 nan 8.270 nan 0.000 0.508 275 G N 0.457 109.268 108.800 0.018 0.000 2.229 275 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.189 275 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.189 275 G C -0.155 174.778 174.900 0.055 0.000 1.000 275 G CA -0.406 44.710 45.100 0.027 0.000 0.663 275 G HN 0.396 nan 8.290 nan 0.000 0.493 276 V N 2.046 122.001 119.914 0.068 0.000 2.439 276 V HA 0.617 4.737 4.120 -0.000 0.000 0.271 276 V C 0.783 177.050 176.094 0.289 0.000 1.040 276 V CA 0.863 63.240 62.300 0.130 0.000 1.002 276 V CB 0.936 32.793 31.823 0.056 0.000 1.000 276 V HN 0.503 nan 8.190 nan 0.000 0.477 277 T N 2.949 117.693 114.554 0.316 0.000 2.907 277 T HA 0.405 4.755 4.350 -0.000 0.000 0.290 277 T C 0.430 175.237 174.700 0.179 0.000 1.066 277 T CA -0.407 61.877 62.100 0.305 0.000 1.012 277 T CB 1.403 70.344 68.868 0.121 0.000 1.184 277 T HN 0.523 nan 8.240 nan 0.000 0.522 278 Y N 1.838 121.868 120.300 -0.449 0.000 2.242 278 Y HA 0.106 4.656 4.550 -0.001 0.000 0.291 278 Y C 2.658 178.443 175.900 -0.191 0.000 1.137 278 Y CA 1.923 59.638 58.100 -0.642 0.000 1.181 278 Y CB -0.055 37.936 38.460 -0.782 0.000 0.989 278 Y HN 0.659 nan 8.280 nan 0.000 0.527 279 R N -0.282 120.135 120.500 -0.138 0.000 2.081 279 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 279 R C 2.141 178.376 176.300 -0.108 0.000 1.131 279 R CA 1.691 57.716 56.100 -0.125 0.000 0.960 279 R CB -0.611 29.673 30.300 -0.026 0.000 0.856 279 R HN 0.441 nan 8.270 nan 0.000 0.436 280 L N 0.733 121.934 121.223 -0.037 0.000 2.141 280 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 280 L C 1.775 178.638 176.870 -0.012 0.000 1.094 280 L CA 1.964 56.803 54.840 -0.001 0.000 0.763 280 L CB -0.554 41.532 42.059 0.044 0.000 0.908 280 L HN 0.175 nan 8.230 nan 0.000 0.437 281 T N -0.985 113.550 114.554 -0.030 0.000 2.737 281 T HA -0.157 4.193 4.350 -0.000 0.000 0.265 281 T C 1.791 176.418 174.700 -0.122 0.000 1.038 281 T CA 1.155 63.239 62.100 -0.026 0.000 1.144 281 T CB -0.150 68.738 68.868 0.032 0.000 0.866 281 T HN 0.361 nan 8.240 nan 0.000 0.434 282 Q N 0.626 120.267 119.800 -0.264 0.000 1.967 282 Q HA -0.141 4.199 4.340 -0.000 0.000 0.210 282 Q C 2.749 178.678 176.000 -0.118 0.000 1.005 282 Q CA 2.224 57.880 55.803 -0.245 0.000 0.862 282 Q CB -1.148 27.421 28.738 -0.282 0.000 0.939 282 Q HN 0.604 nan 8.270 nan 0.000 0.417 283 G N 0.037 108.786 108.800 -0.085 0.000 2.440 283 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.218 283 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.218 283 G C 1.621 176.512 174.900 -0.014 0.000 1.154 283 G CA 1.149 46.225 45.100 -0.040 0.000 0.767 283 G HN 0.273 nan 8.290 nan 0.000 0.552 284 V N 0.308 120.225 119.914 0.006 0.000 2.358 284 V HA -0.156 3.964 4.120 -0.000 0.000 0.246 284 V C 2.982 179.089 176.094 0.022 0.000 1.047 284 V CA 1.472 63.799 62.300 0.046 0.000 1.035 284 V CB -0.232 31.643 31.823 0.087 0.000 0.658 284 V HN 0.262 nan 8.190 nan 0.000 0.452 285 V N -0.337 119.571 119.914 -0.010 0.000 2.239 285 V HA -0.194 3.926 4.120 -0.000 0.000 0.242 285 V C 2.171 178.235 176.094 -0.050 0.000 1.038 285 V CA 1.814 64.092 62.300 -0.037 0.000 1.002 285 V CB -0.606 31.180 31.823 -0.062 0.000 0.641 285 V HN 0.455 nan 8.190 nan 0.000 0.449 286 K N -0.405 119.962 120.400 -0.055 0.000 2.525 286 K HA 0.035 4.354 4.320 -0.000 0.000 0.192 286 K C 0.475 177.051 176.600 -0.040 0.000 1.029 286 K CA -0.118 56.137 56.287 -0.052 0.000 1.029 286 K CB 0.009 32.477 32.500 -0.054 0.000 0.814 286 K HN 0.112 nan 8.250 nan 0.000 0.503 287 R N 1.030 121.511 120.500 -0.032 0.000 3.322 287 R HA -0.161 4.179 4.340 -0.000 0.000 0.253 287 R C -0.587 175.698 176.300 -0.024 0.000 0.987 287 R CA 0.306 56.390 56.100 -0.027 0.000 0.666 287 R CB -2.371 27.907 30.300 -0.036 0.000 1.072 287 R HN 0.263 nan 8.270 nan 0.000 0.447 288 I N 0.676 121.232 120.570 -0.024 0.000 2.813 288 I HA -0.035 4.135 4.170 -0.000 0.000 0.287 288 I C 1.080 177.187 176.117 -0.016 0.000 1.196 288 I CA 0.578 61.864 61.300 -0.023 0.000 1.421 288 I CB 0.344 38.328 38.000 -0.027 0.000 1.365 288 I HN 0.132 nan 8.210 nan 0.000 0.591 289 I N 6.705 127.265 120.570 -0.018 0.000 2.382 289 I HA 0.298 4.468 4.170 -0.000 0.000 0.286 289 I C -2.136 173.964 176.117 -0.028 0.000 1.002 289 I CA -1.893 59.398 61.300 -0.015 0.000 1.135 289 I CB 1.385 39.378 38.000 -0.012 0.000 1.288 289 I HN 0.310 nan 8.210 nan 0.000 0.448 290 P HA 0.197 nan 4.420 nan 0.000 0.264 290 P C -0.859 176.384 177.300 -0.096 0.000 1.183 290 P CA 0.045 63.110 63.100 -0.059 0.000 0.763 290 P CB 0.659 32.326 31.700 -0.055 0.000 0.807 291 A N 2.075 124.830 122.820 -0.109 0.000 2.520 291 A HA 0.704 5.024 4.320 -0.000 0.000 0.298 291 A C -0.831 176.672 177.584 -0.136 0.000 1.051 291 A CA -0.521 51.441 52.037 -0.124 0.000 0.690 291 A CB 1.525 20.480 19.000 -0.074 0.000 1.281 291 A HN 0.414 nan 8.150 nan 0.000 0.402 292 V N -1.299 118.519 119.914 -0.159 0.000 3.114 292 V HA 0.850 4.970 4.120 -0.000 0.000 0.308 292 V C 0.899 176.953 176.094 -0.066 0.000 1.168 292 V CA -0.062 62.169 62.300 -0.115 0.000 1.015 292 V CB 1.080 32.809 31.823 -0.155 0.000 1.050 292 V HN 1.927 nan 8.190 nan 0.000 0.433 293 A N 1.886 124.688 122.820 -0.030 0.000 1.883 293 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 293 A C 2.361 179.935 177.584 -0.016 0.000 1.186 293 A CA 2.849 54.876 52.037 -0.016 0.000 0.624 293 A CB -1.166 17.831 19.000 -0.006 0.000 0.822 293 A HN 1.824 nan 8.150 nan 0.000 0.444 294 S N -0.531 115.175 115.700 0.010 0.000 2.372 294 S HA -0.237 4.233 4.470 -0.000 0.000 0.227 294 S C 1.871 176.476 174.600 0.009 0.000 1.044 294 S CA 2.253 60.472 58.200 0.032 0.000 1.050 294 S CB -1.451 61.819 63.200 0.117 0.000 0.901 294 S HN 0.527 nan 8.310 nan 0.000 0.447 295 T N 2.964 117.532 114.554 0.024 0.000 2.701 295 T HA -0.033 4.317 4.350 -0.000 0.000 0.263 295 T C 1.850 176.496 174.700 -0.091 0.000 1.040 295 T CA 1.347 63.444 62.100 -0.005 0.000 1.147 295 T CB -0.637 68.261 68.868 0.051 0.000 0.865 295 T HN 0.448 nan 8.240 nan 0.000 0.426 296 N N 1.578 120.239 118.700 -0.065 0.000 2.192 296 N HA -0.100 4.639 4.740 -0.000 0.000 0.188 296 N C 2.082 177.541 175.510 -0.084 0.000 1.013 296 N CA 1.342 54.350 53.050 -0.069 0.000 0.863 296 N CB -0.383 38.075 38.487 -0.049 0.000 0.990 296 N HN 0.428 nan 8.380 nan 0.000 0.430 297 A N 0.772 123.544 122.820 -0.081 0.000 1.930 297 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 297 A C 2.577 180.076 177.584 -0.140 0.000 1.175 297 A CA 1.049 53.033 52.037 -0.089 0.000 0.627 297 A CB -0.600 18.350 19.000 -0.084 0.000 0.815 297 A HN 0.101 nan 8.150 nan 0.000 0.443 298 V N 0.547 120.334 119.914 -0.210 0.000 2.270 298 V HA -0.214 3.905 4.120 -0.000 0.000 0.245 298 V C 2.436 178.346 176.094 -0.307 0.000 1.043 298 V CA 1.743 63.845 62.300 -0.330 0.000 1.014 298 V CB -0.601 30.831 31.823 -0.651 0.000 0.645 298 V HN 0.500 nan 8.190 nan 0.000 0.447 299 I N 0.774 121.174 120.570 -0.283 0.000 2.226 299 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 299 I C 2.688 178.714 176.117 -0.151 0.000 1.100 299 I CA 1.938 63.114 61.300 -0.207 0.000 1.374 299 I CB -1.755 36.152 38.000 -0.154 0.000 1.057 299 I HN 0.306 nan 8.210 nan 0.000 0.413 300 A N 0.797 123.543 122.820 -0.124 0.000 1.972 300 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 300 A C 2.577 180.103 177.584 -0.097 0.000 1.169 300 A CA 1.801 53.781 52.037 -0.095 0.000 0.635 300 A CB -0.649 18.311 19.000 -0.065 0.000 0.810 300 A HN 0.411 nan 8.150 nan 0.000 0.446 301 A N -0.319 122.434 122.820 -0.112 0.000 1.845 301 A HA -0.021 4.299 4.320 -0.000 0.000 0.215 301 A C 2.205 179.719 177.584 -0.117 0.000 1.195 301 A CA 1.846 53.817 52.037 -0.109 0.000 0.616 301 A CB -1.181 17.745 19.000 -0.124 0.000 0.832 301 A HN 0.447 nan 8.150 nan 0.000 0.443 302 V N -0.397 119.434 119.914 -0.138 0.000 2.278 302 V HA -0.397 3.723 4.120 -0.000 0.000 0.251 302 V C 2.710 178.734 176.094 -0.117 0.000 1.062 302 V CA 2.249 64.468 62.300 -0.135 0.000 1.038 302 V CB -1.403 30.329 31.823 -0.150 0.000 0.646 302 V HN 0.724 nan 8.190 nan 0.000 0.447 303 C N 0.101 119.331 119.300 -0.115 0.000 2.436 303 C HA -0.081 4.379 4.460 -0.000 0.000 0.277 303 C C 3.144 178.081 174.990 -0.089 0.000 1.241 303 C CA 0.750 59.705 59.018 -0.105 0.000 1.721 303 C CB -1.445 26.231 27.740 -0.107 0.000 2.043 303 C HN 0.650 nan 8.230 nan 0.000 0.472 304 A N 0.139 122.908 122.820 -0.085 0.000 1.948 304 A HA -0.238 4.081 4.320 -0.000 0.000 0.220 304 A C 2.150 179.723 177.584 -0.018 0.000 1.177 304 A CA 2.686 54.681 52.037 -0.069 0.000 0.636 304 A CB -1.183 17.783 19.000 -0.056 0.000 0.815 304 A HN 0.606 nan 8.150 nan 0.000 0.449 305 T N -0.087 114.441 114.554 -0.043 0.000 2.684 305 T HA -0.118 4.231 4.350 -0.000 0.000 0.267 305 T C 1.771 176.488 174.700 0.028 0.000 1.036 305 T CA 1.553 63.635 62.100 -0.030 0.000 1.148 305 T CB -0.248 68.556 68.868 -0.107 0.000 0.863 305 T HN 0.491 nan 8.240 nan 0.000 0.436 306 E N 0.746 120.933 120.200 -0.021 0.000 2.268 306 E HA -0.024 4.326 4.350 -0.000 0.000 0.195 306 E C 2.355 178.958 176.600 0.004 0.000 0.995 306 E CA 0.411 56.800 56.400 -0.019 0.000 0.836 306 E CB -0.415 29.250 29.700 -0.058 0.000 0.763 306 E HN 0.346 nan 8.360 nan 0.000 0.491 307 V N 0.756 120.673 119.914 0.005 0.000 2.453 307 V HA -0.179 3.940 4.120 -0.000 0.000 0.247 307 V C 2.046 178.222 176.094 0.137 0.000 1.048 307 V CA 1.278 63.571 62.300 -0.010 0.000 1.049 307 V CB -0.556 31.174 31.823 -0.156 0.000 0.672 307 V HN 0.136 nan 8.190 nan 0.000 0.457 308 F N 1.222 121.228 119.950 0.094 0.000 2.146 308 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 308 F C 2.308 178.182 175.800 0.124 0.000 1.096 308 F CA 1.713 59.842 58.000 0.214 0.000 1.275 308 F CB -0.197 38.877 39.000 0.123 0.000 1.008 308 F HN 0.000 nan 8.300 nan 0.000 0.480 309 K N 0.431 120.884 120.400 0.089 0.000 1.985 309 K HA -0.165 4.155 4.320 -0.000 0.000 0.210 309 K C 2.150 178.702 176.600 -0.080 0.000 1.047 309 K CA 2.124 58.413 56.287 0.004 0.000 0.932 309 K CB -0.537 31.998 32.500 0.059 0.000 0.716 309 K HN 0.290 nan 8.250 nan 0.000 0.439 310 I N 1.178 121.716 120.570 -0.053 0.000 2.194 310 I HA -0.320 3.850 4.170 -0.000 0.000 0.246 310 I C 2.416 178.491 176.117 -0.069 0.000 1.093 310 I CA 1.337 62.594 61.300 -0.073 0.000 1.355 310 I CB -0.378 37.597 38.000 -0.042 0.000 1.046 310 I HN 0.224 nan 8.210 nan 0.000 0.413 311 A N -0.057 122.740 122.820 -0.039 0.000 2.066 311 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 311 A C 2.153 179.661 177.584 -0.126 0.000 1.157 311 A CA 1.957 53.975 52.037 -0.032 0.000 0.670 311 A CB -0.593 18.485 19.000 0.129 0.000 0.804 311 A HN 0.546 nan 8.150 nan 0.000 0.453 312 T N -6.827 107.604 114.554 -0.205 0.000 2.975 312 T HA 0.255 4.605 4.350 -0.000 0.000 0.261 312 T C 0.722 175.447 174.700 0.041 0.000 0.984 312 T CA 0.969 62.975 62.100 -0.157 0.000 0.911 312 T CB 0.072 68.720 68.868 -0.366 0.000 1.127 312 T HN 0.517 nan 8.240 nan 0.000 0.514 313 S N 0.513 116.203 115.700 -0.017 0.000 3.270 313 S HA -0.255 4.215 4.470 -0.000 0.000 0.293 313 S C 1.596 176.272 174.600 0.127 0.000 1.278 313 S CA 0.707 58.939 58.200 0.052 0.000 1.038 313 S CB -1.891 61.421 63.200 0.186 0.000 1.218 313 S HN 1.128 nan 8.310 nan 0.000 0.659 314 A N -1.137 121.686 122.820 0.006 0.000 2.024 314 A HA 0.230 4.550 4.320 -0.000 0.000 0.220 314 A C 0.593 177.895 177.584 -0.469 0.000 1.164 314 A CA 1.592 53.408 52.037 -0.368 0.000 0.643 314 A CB -0.129 18.909 19.000 0.064 0.000 0.806 314 A HN 0.708 nan 8.150 nan 0.000 0.451 315 Y N -2.860 117.392 120.300 -0.080 0.000 2.744 315 Y HA 0.488 5.038 4.550 -0.000 0.000 0.330 315 Y C -0.723 175.207 175.900 0.050 0.000 1.263 315 Y CA -1.630 56.474 58.100 0.007 0.000 1.065 315 Y CB 0.901 39.370 38.460 0.016 0.000 1.306 315 Y HN 0.031 nan 8.280 nan 0.000 0.459 316 I N 2.651 123.403 120.570 0.303 0.000 2.337 316 I HA 0.341 4.510 4.170 -0.000 0.000 0.291 316 I C -2.406 173.783 176.117 0.120 0.000 1.046 316 I CA -2.335 59.102 61.300 0.228 0.000 1.324 316 I CB -0.433 37.706 38.000 0.232 0.000 1.409 316 I HN 0.175 nan 8.210 nan 0.000 0.494 317 P HA -0.039 nan 4.420 nan 0.000 0.268 317 P C -0.292 177.004 177.300 -0.007 0.000 1.208 317 P CA -0.506 62.595 63.100 0.001 0.000 0.777 317 P CB 0.817 32.498 31.700 -0.032 0.000 0.875 318 L N 2.340 123.539 121.223 -0.040 0.000 2.559 318 L HA 0.041 4.381 4.340 -0.000 0.000 0.274 318 L C 0.375 177.211 176.870 -0.058 0.000 1.205 318 L CA 0.309 55.113 54.840 -0.060 0.000 0.907 318 L CB -1.198 40.804 42.059 -0.094 0.000 1.153 318 L HN 0.359 nan 8.230 nan 0.000 0.490 319 N N 4.544 123.216 118.700 -0.047 0.000 2.405 319 N HA 0.153 4.893 4.740 -0.000 0.000 0.260 319 N C 0.341 175.797 175.510 -0.089 0.000 1.152 319 N CA 0.432 53.456 53.050 -0.043 0.000 0.948 319 N CB 0.043 38.522 38.487 -0.014 0.000 1.111 319 N HN 0.957 nan 8.380 nan 0.000 0.485 320 N N 0.677 119.323 118.700 -0.090 0.000 1.347 320 N HA -0.353 4.387 4.740 -0.000 0.000 0.148 320 N C -0.959 174.432 175.510 -0.200 0.000 0.780 320 N CA 1.229 54.205 53.050 -0.124 0.000 1.015 320 N CB -0.651 37.756 38.487 -0.134 0.000 1.262 320 N HN 0.392 nan 8.380 nan 0.000 0.496 321 Y N 1.045 120.998 120.300 -0.579 0.000 2.316 321 Y HA 0.696 5.246 4.550 -0.000 0.000 0.324 321 Y C 0.023 175.610 175.900 -0.521 0.000 1.267 321 Y CA -0.067 57.628 58.100 -0.675 0.000 1.311 321 Y CB 0.941 38.581 38.460 -1.367 0.000 1.267 321 Y HN 0.379 nan 8.280 nan 0.000 0.516 322 L N 3.962 125.057 121.223 -0.213 0.000 2.580 322 L HA 0.580 4.920 4.340 -0.000 0.000 0.266 322 L C -1.874 175.027 176.870 0.051 0.000 0.955 322 L CA -0.740 54.049 54.840 -0.085 0.000 0.886 322 L CB 1.168 43.152 42.059 -0.126 0.000 1.263 322 L HN 0.411 nan 8.230 nan 0.000 0.406 323 V N 1.917 121.947 119.914 0.194 0.000 2.630 323 V HA 0.617 4.736 4.120 -0.000 0.000 0.305 323 V C -0.676 175.550 176.094 0.221 0.000 1.046 323 V CA -0.694 61.756 62.300 0.251 0.000 0.934 323 V CB 1.686 33.720 31.823 0.352 0.000 1.003 323 V HN 0.638 nan 8.190 nan 0.000 0.451 324 F N 2.438 122.427 119.950 0.067 0.000 2.576 324 F HA 0.673 5.199 4.527 -0.000 0.000 0.313 324 F C -0.627 175.246 175.800 0.121 0.000 1.078 324 F CA -0.520 57.510 58.000 0.051 0.000 0.921 324 F CB 2.024 41.039 39.000 0.025 0.000 1.232 324 F HN 0.720 nan 8.300 nan 0.000 0.459 325 N N 4.093 122.308 118.700 -0.807 0.000 2.425 325 N HA 0.187 4.927 4.740 -0.000 0.000 0.289 325 N C -0.973 174.153 175.510 -0.639 0.000 1.074 325 N CA -0.506 52.265 53.050 -0.465 0.000 0.905 325 N CB 1.589 40.042 38.487 -0.057 0.000 1.586 325 N HN 0.675 nan 8.380 nan 0.000 0.490 326 D N 1.964 122.172 120.400 -0.320 0.000 2.338 326 D HA -0.030 4.610 4.640 -0.000 0.000 0.208 326 D C 2.159 178.326 176.300 -0.221 0.000 0.997 326 D CA 0.815 54.703 54.000 -0.187 0.000 0.880 326 D CB 0.419 41.296 40.800 0.128 0.000 0.980 326 D HN 0.455 nan 8.370 nan 0.000 0.509 327 V N 0.317 120.124 119.914 -0.180 0.000 2.222 327 V HA -0.219 3.901 4.120 -0.000 0.000 0.252 327 V C 1.115 177.106 176.094 -0.173 0.000 1.060 327 V CA 2.046 64.221 62.300 -0.209 0.000 1.027 327 V CB -0.588 31.188 31.823 -0.078 0.000 0.644 327 V HN -0.035 nan 8.190 nan 0.000 0.448 328 D N 1.219 121.544 120.400 -0.124 0.000 2.772 328 D HA 0.461 5.101 4.640 -0.000 0.000 0.273 328 D C 0.509 176.756 176.300 -0.089 0.000 1.233 328 D CA 1.041 54.979 54.000 -0.104 0.000 0.984 328 D CB -0.223 40.520 40.800 -0.096 0.000 1.000 328 D HN 1.122 nan 8.370 nan 0.000 0.514 329 G N 0.929 109.675 108.800 -0.090 0.000 2.814 329 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.677 329 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.677 329 G C -0.599 174.267 174.900 -0.057 0.000 1.429 329 G CA -0.714 44.352 45.100 -0.057 0.000 0.868 329 G HN 0.348 nan 8.290 nan 0.000 0.553 330 L N 0.443 121.651 121.223 -0.024 0.000 2.380 330 L HA 0.680 5.020 4.340 -0.000 0.000 0.273 330 L C 0.180 177.073 176.870 0.039 0.000 1.138 330 L CA -0.094 54.720 54.840 -0.044 0.000 0.832 330 L CB 0.880 42.967 42.059 0.047 0.000 1.124 330 L HN 0.726 nan 8.230 nan 0.000 0.454 331 Y N 1.581 121.752 120.300 -0.214 0.000 2.479 331 Y HA 0.639 5.189 4.550 -0.000 0.000 0.338 331 Y C -0.565 175.294 175.900 -0.067 0.000 1.055 331 Y CA -0.885 57.152 58.100 -0.105 0.000 1.023 331 Y CB 1.975 40.377 38.460 -0.097 0.000 1.287 331 Y HN 0.735 nan 8.280 nan 0.000 0.447 332 T N 2.365 116.508 114.554 -0.684 0.000 2.903 332 T HA 0.600 4.949 4.350 -0.000 0.000 0.299 332 T C -2.068 172.279 174.700 -0.589 0.000 1.093 332 T CA -0.764 61.084 62.100 -0.422 0.000 1.002 332 T CB 2.162 70.998 68.868 -0.053 0.000 1.127 332 T HN 0.635 nan 8.240 nan 0.000 0.488 333 Y N 0.777 120.865 120.300 -0.354 0.000 2.421 333 Y HA 0.620 5.169 4.550 -0.000 0.000 0.339 333 Y C -1.056 174.892 175.900 0.080 0.000 0.996 333 Y CA -0.636 57.380 58.100 -0.140 0.000 1.046 333 Y CB 2.139 40.589 38.460 -0.017 0.000 1.226 333 Y HN 1.014 nan 8.280 nan 0.000 0.445 334 T N 6.993 121.147 114.554 -0.666 0.000 2.885 334 T HA 0.778 5.128 4.350 -0.000 0.000 0.285 334 T C -1.340 173.008 174.700 -0.587 0.000 1.019 334 T CA -0.507 61.303 62.100 -0.483 0.000 1.010 334 T CB 1.396 70.117 68.868 -0.246 0.000 1.022 334 T HN 0.585 nan 8.240 nan 0.000 0.466 335 F N -1.044 118.648 119.950 -0.430 0.000 2.744 335 F HA 0.588 5.115 4.527 -0.000 0.000 0.311 335 F C -1.204 174.551 175.800 -0.075 0.000 1.144 335 F CA -1.183 56.661 58.000 -0.261 0.000 0.938 335 F CB 1.481 40.331 39.000 -0.250 0.000 1.292 335 F HN 0.529 nan 8.300 nan 0.000 0.444 336 E N 2.212 122.498 120.200 0.144 0.000 1.993 336 E HA 0.582 4.932 4.350 -0.000 0.000 0.271 336 E C -0.546 176.158 176.600 0.174 0.000 1.008 336 E CA -0.780 55.654 56.400 0.057 0.000 0.814 336 E CB 1.056 30.794 29.700 0.064 0.000 1.098 336 E HN 0.949 nan 8.360 nan 0.000 0.407 337 A N 5.364 128.236 122.820 0.087 0.000 2.515 337 A HA 0.023 4.343 4.320 -0.000 0.000 0.263 337 A C 0.256 177.905 177.584 0.108 0.000 1.096 337 A CA -0.138 52.005 52.037 0.176 0.000 0.769 337 A CB 0.164 19.216 19.000 0.087 0.000 1.040 337 A HN 0.618 nan 8.150 nan 0.000 0.505 338 E N 1.609 121.872 120.200 0.105 0.000 2.414 338 E HA -0.002 4.347 4.350 -0.000 0.000 0.263 338 E C 0.407 177.042 176.600 0.059 0.000 1.000 338 E CA 0.021 56.463 56.400 0.070 0.000 0.914 338 E CB 0.627 30.361 29.700 0.058 0.000 0.948 338 E HN 0.638 nan 8.360 nan 0.000 0.444 339 R N 3.199 123.730 120.500 0.051 0.000 2.248 339 R HA 0.058 4.398 4.340 -0.000 0.000 0.328 339 R C -0.174 176.152 176.300 0.043 0.000 1.067 339 R CA -0.334 55.795 56.100 0.047 0.000 0.924 339 R CB 0.368 30.694 30.300 0.044 0.000 1.013 339 R HN 0.256 nan 8.270 nan 0.000 0.454 340 K N 3.598 124.023 120.400 0.043 0.000 2.484 340 K HA -0.070 4.249 4.320 -0.000 0.000 0.280 340 K C 0.428 177.051 176.600 0.037 0.000 1.013 340 K CA 0.440 56.751 56.287 0.040 0.000 1.029 340 K CB 0.712 33.237 32.500 0.043 0.000 0.902 340 K HN 0.673 nan 8.250 nan 0.000 0.481 341 E N 1.444 121.665 120.200 0.034 0.000 2.482 341 E HA -0.135 4.215 4.350 -0.000 0.000 0.196 341 E C 0.309 176.926 176.600 0.027 0.000 1.047 341 E CA 0.707 57.125 56.400 0.030 0.000 0.869 341 E CB -0.096 29.620 29.700 0.027 0.000 0.836 341 E HN 0.607 nan 8.360 nan 0.000 0.520 342 N N -0.346 118.375 118.700 0.034 0.000 2.416 342 N HA 0.115 4.855 4.740 -0.000 0.000 0.267 342 N C -0.508 175.030 175.510 0.047 0.000 1.294 342 N CA -0.504 52.570 53.050 0.040 0.000 0.891 342 N CB 0.434 38.952 38.487 0.051 0.000 1.238 342 N HN -0.097 nan 8.380 nan 0.000 0.508 343 C N 1.767 121.089 119.300 0.036 0.000 2.633 343 C HA 0.186 4.646 4.460 -0.000 0.000 0.415 343 C C -0.576 174.428 174.990 0.023 0.000 1.393 343 C CA -1.163 57.876 59.018 0.036 0.000 1.700 343 C CB 0.483 28.241 27.740 0.031 0.000 2.541 343 C HN 0.471 nan 8.230 nan 0.000 0.603 344 P HA -0.118 nan 4.420 nan 0.000 0.217 344 P C 1.027 178.297 177.300 -0.050 0.000 1.148 344 P CA 2.444 65.551 63.100 0.011 0.000 0.828 344 P CB 0.177 31.913 31.700 0.059 0.000 0.783 345 A N -1.186 121.617 122.820 -0.029 0.000 1.938 345 A HA -0.030 4.290 4.320 -0.000 0.000 0.207 345 A C 2.194 179.756 177.584 -0.037 0.000 1.292 345 A CA 1.028 53.036 52.037 -0.047 0.000 0.700 345 A CB -1.153 17.825 19.000 -0.037 0.000 0.947 345 A HN 0.382 nan 8.150 nan 0.000 0.476 346 C N -0.689 118.605 119.300 -0.010 0.000 2.696 346 C HA 0.453 4.913 4.460 -0.000 0.000 0.264 346 C C 1.292 176.289 174.990 0.010 0.000 1.288 346 C CA 0.072 59.097 59.018 0.012 0.000 1.717 346 C CB -1.517 26.241 27.740 0.030 0.000 1.893 346 C HN 0.371 nan 8.230 nan 0.000 0.577 347 S N 0.966 116.658 115.700 -0.015 0.000 2.474 347 S HA 0.174 4.644 4.470 -0.000 0.000 0.276 347 S C 1.039 175.584 174.600 -0.092 0.000 1.227 347 S CA -0.103 58.078 58.200 -0.032 0.000 1.050 347 S CB 0.631 63.823 63.200 -0.014 0.000 0.939 347 S HN 0.723 nan 8.310 nan 0.000 0.490 348 Q N 4.373 124.077 119.800 -0.160 0.000 2.135 348 Q HA -0.060 4.280 4.340 -0.000 0.000 0.204 348 Q C -0.128 175.761 176.000 -0.186 0.000 0.981 348 Q CA 1.253 56.888 55.803 -0.280 0.000 0.856 348 Q CB -0.062 28.385 28.738 -0.485 0.000 0.902 348 Q HN 0.764 nan 8.270 nan 0.000 0.425 349 L N 2.639 123.788 121.223 -0.123 0.000 2.290 349 L HA 0.380 4.720 4.340 -0.000 0.000 0.284 349 L C -2.011 174.823 176.870 -0.060 0.000 1.078 349 L CA -2.224 52.566 54.840 -0.083 0.000 0.815 349 L CB 0.568 42.596 42.059 -0.051 0.000 1.162 349 L HN 0.053 nan 8.230 nan 0.000 0.435 350 P HA -0.051 nan 4.420 nan 0.000 0.266 350 P C -0.410 176.904 177.300 0.023 0.000 1.186 350 P CA 0.184 63.249 63.100 -0.058 0.000 0.767 350 P CB 0.511 32.173 31.700 -0.063 0.000 0.820 351 Q N 1.589 121.451 119.800 0.103 0.000 2.407 351 Q HA 0.195 4.535 4.340 -0.000 0.000 0.214 351 Q C -0.327 175.796 176.000 0.205 0.000 1.043 351 Q CA -0.273 55.664 55.803 0.223 0.000 0.983 351 Q CB 0.492 29.484 28.738 0.423 0.000 1.211 351 Q HN 0.429 nan 8.270 nan 0.000 0.564 352 N N 1.913 120.691 118.700 0.130 0.000 2.491 352 N HA 0.280 5.020 4.740 -0.000 0.000 0.274 352 N C -0.931 174.528 175.510 -0.084 0.000 1.023 352 N CA -0.357 52.721 53.050 0.047 0.000 0.902 352 N CB 1.100 39.688 38.487 0.167 0.000 1.267 352 N HN 0.405 nan 8.380 nan 0.000 0.503 353 I N 1.479 121.902 120.570 -0.246 0.000 2.662 353 I HA 0.147 4.317 4.170 -0.000 0.000 0.291 353 I C 0.516 176.387 176.117 -0.409 0.000 1.046 353 I CA -0.140 60.845 61.300 -0.525 0.000 1.361 353 I CB 0.675 38.270 38.000 -0.674 0.000 1.429 353 I HN 0.234 nan 8.210 nan 0.000 0.558 354 Q N 6.123 125.572 119.800 -0.585 0.000 2.454 354 Q HA 0.522 4.861 4.340 -0.000 0.000 0.255 354 Q C -1.187 174.703 176.000 -0.184 0.000 1.034 354 Q CA -0.060 55.585 55.803 -0.264 0.000 0.736 354 Q CB 1.835 30.476 28.738 -0.162 0.000 1.210 354 Q HN 0.458 nan 8.270 nan 0.000 0.500 355 F N 0.417 120.383 119.950 0.026 0.000 2.576 355 F HA 0.414 4.940 4.527 -0.000 0.000 0.313 355 F C 0.552 176.419 175.800 0.111 0.000 1.078 355 F CA -1.278 56.748 58.000 0.045 0.000 0.921 355 F CB 2.173 41.205 39.000 0.053 0.000 1.232 355 F HN 0.238 nan 8.300 nan 0.000 0.459 356 S N 1.661 117.482 115.700 0.202 0.000 2.499 356 S HA 0.283 4.753 4.470 -0.000 0.000 0.279 356 S C -2.275 172.218 174.600 -0.178 0.000 1.219 356 S CA -1.370 56.842 58.200 0.020 0.000 1.062 356 S CB 1.477 64.667 63.200 -0.017 0.000 0.978 356 S HN 0.339 nan 8.310 nan 0.000 0.489 357 P HA -0.195 nan 4.420 nan 0.000 0.221 357 P C 1.342 178.388 177.300 -0.422 0.000 1.140 357 P CA 1.558 64.128 63.100 -0.882 0.000 0.797 357 P CB -0.122 31.041 31.700 -0.895 0.000 0.756 358 S N -1.846 113.698 115.700 -0.260 0.000 2.439 358 S HA 0.173 4.643 4.470 -0.000 0.000 0.224 358 S C 1.200 175.697 174.600 -0.172 0.000 1.029 358 S CA 0.145 58.238 58.200 -0.178 0.000 0.946 358 S CB -0.909 62.212 63.200 -0.132 0.000 0.797 358 S HN 0.154 nan 8.310 nan 0.000 0.504 359 A N 2.417 125.116 122.820 -0.202 0.000 2.587 359 A HA 0.231 4.551 4.320 -0.000 0.000 0.235 359 A C 0.357 177.809 177.584 -0.220 0.000 1.044 359 A CA 0.117 51.992 52.037 -0.271 0.000 0.754 359 A CB -0.093 18.628 19.000 -0.466 0.000 0.968 359 A HN 0.599 nan 8.150 nan 0.000 0.509 360 K N 1.266 121.540 120.400 -0.210 0.000 2.090 360 K HA 0.292 4.612 4.320 -0.000 0.000 0.250 360 K C 0.997 177.518 176.600 -0.131 0.000 1.004 360 K CA -0.821 55.382 56.287 -0.141 0.000 0.919 360 K CB 0.533 32.961 32.500 -0.121 0.000 1.045 360 K HN 0.512 nan 8.250 nan 0.000 0.471 361 L N 1.604 122.785 121.223 -0.071 0.000 2.012 361 L HA -0.209 4.130 4.340 -0.000 0.000 0.210 361 L C 2.146 178.996 176.870 -0.032 0.000 1.073 361 L CA 1.839 56.665 54.840 -0.022 0.000 0.748 361 L CB -0.458 41.592 42.059 -0.014 0.000 0.891 361 L HN 0.606 nan 8.230 nan 0.000 0.431 362 Q N -0.367 119.384 119.800 -0.082 0.000 2.449 362 Q HA -0.277 4.063 4.340 -0.000 0.000 0.214 362 Q C 2.019 177.994 176.000 -0.041 0.000 0.986 362 Q CA 1.536 57.297 55.803 -0.069 0.000 0.893 362 Q CB -0.036 28.644 28.738 -0.097 0.000 0.940 362 Q HN 0.686 nan 8.270 nan 0.000 0.477 363 E N -0.882 119.254 120.200 -0.108 0.000 2.170 363 E HA -0.081 4.268 4.350 -0.000 0.000 0.191 363 E C 1.759 178.327 176.600 -0.053 0.000 0.981 363 E CA 0.569 56.854 56.400 -0.191 0.000 0.830 363 E CB 0.448 29.869 29.700 -0.464 0.000 0.775 363 E HN 0.149 nan 8.360 nan 0.000 0.470 364 V N 1.232 121.199 119.914 0.087 0.000 2.488 364 V HA -0.165 3.955 4.120 -0.000 0.000 0.246 364 V C 2.343 178.635 176.094 0.330 0.000 1.046 364 V CA 0.910 63.504 62.300 0.490 0.000 1.053 364 V CB -0.394 31.686 31.823 0.428 0.000 0.679 364 V HN 0.268 nan 8.190 nan 0.000 0.458 365 L N 0.559 121.906 121.223 0.207 0.000 2.046 365 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 365 L C 2.086 179.052 176.870 0.159 0.000 1.077 365 L CA 2.073 57.025 54.840 0.187 0.000 0.747 365 L CB -0.826 41.334 42.059 0.169 0.000 0.896 365 L HN 0.255 nan 8.230 nan 0.000 0.432 366 D N -1.663 118.825 120.400 0.146 0.000 2.144 366 D HA -0.235 4.404 4.640 -0.000 0.000 0.200 366 D C 1.957 178.348 176.300 0.151 0.000 0.978 366 D CA 1.322 55.395 54.000 0.123 0.000 0.833 366 D CB -0.120 40.739 40.800 0.097 0.000 0.961 366 D HN 0.496 nan 8.370 nan 0.000 0.470 367 Y N 1.652 122.026 120.300 0.124 0.000 2.181 367 Y HA -0.136 4.414 4.550 -0.000 0.000 0.288 367 Y C 2.081 177.999 175.900 0.031 0.000 1.146 367 Y CA 1.266 59.424 58.100 0.097 0.000 1.164 367 Y CB -0.455 38.089 38.460 0.140 0.000 0.982 367 Y HN -0.094 nan 8.280 nan 0.000 0.515 368 L N -0.959 120.208 121.223 -0.094 0.000 2.465 368 L HA -0.115 4.225 4.340 -0.000 0.000 0.224 368 L C 1.875 178.696 176.870 -0.083 0.000 1.145 368 L CA 1.347 56.102 54.840 -0.142 0.000 0.834 368 L CB -0.515 41.578 42.059 0.057 0.000 0.944 368 L HN 0.213 nan 8.230 nan 0.000 0.451 369 T N -1.506 113.023 114.554 -0.041 0.000 3.046 369 T HA 0.069 4.419 4.350 -0.000 0.000 0.242 369 T C 1.580 176.260 174.700 -0.032 0.000 1.018 369 T CA 0.358 62.449 62.100 -0.014 0.000 1.131 369 T CB 0.129 69.014 68.868 0.028 0.000 0.904 369 T HN 0.271 nan 8.240 nan 0.000 0.459 370 N N 1.342 120.020 118.700 -0.036 0.000 2.356 370 N HA 0.095 4.835 4.740 -0.000 0.000 0.178 370 N C 0.751 176.229 175.510 -0.053 0.000 1.075 370 N CA 0.079 53.115 53.050 -0.023 0.000 0.889 370 N CB 0.163 38.659 38.487 0.015 0.000 0.999 370 N HN 0.183 nan 8.380 nan 0.000 0.464 371 S N 0.856 116.467 115.700 -0.149 0.000 2.515 371 S HA 0.248 4.717 4.470 -0.000 0.000 0.285 371 S C 1.432 175.967 174.600 -0.107 0.000 1.265 371 S CA -0.239 57.845 58.200 -0.194 0.000 1.079 371 S CB 0.796 63.661 63.200 -0.559 0.000 0.877 371 S HN 0.340 nan 8.310 nan 0.000 0.493 372 A N 4.521 127.316 122.820 -0.042 0.000 1.948 372 A HA -0.098 4.221 4.320 -0.000 0.000 0.220 372 A C 2.369 179.953 177.584 -0.001 0.000 1.177 372 A CA 2.149 54.182 52.037 -0.006 0.000 0.636 372 A CB -1.097 17.912 19.000 0.016 0.000 0.815 372 A HN 1.297 nan 8.150 nan 0.000 0.449 373 S N -1.345 114.347 115.700 -0.014 0.000 2.562 373 S HA 0.221 4.690 4.470 -0.000 0.000 0.221 373 S C 1.418 176.021 174.600 0.004 0.000 0.975 373 S CA 0.925 59.131 58.200 0.010 0.000 0.918 373 S CB -0.260 62.956 63.200 0.027 0.000 0.772 373 S HN 0.468 nan 8.310 nan 0.000 0.531 374 L N -0.701 120.496 121.223 -0.044 0.000 2.586 374 L HA 0.314 4.653 4.340 -0.000 0.000 0.204 374 L C 0.606 177.467 176.870 -0.016 0.000 1.053 374 L CA -0.220 54.604 54.840 -0.027 0.000 0.856 374 L CB -0.823 41.182 42.059 -0.091 0.000 1.192 374 L HN 0.138 nan 8.230 nan 0.000 0.484 375 Q N 1.597 121.372 119.800 -0.042 0.000 2.406 375 Q HA -0.196 4.144 4.340 -0.000 0.000 0.339 375 Q C -0.301 175.695 176.000 -0.006 0.000 1.337 375 Q CA 0.506 56.296 55.803 -0.022 0.000 0.985 375 Q CB -1.519 27.216 28.738 -0.005 0.000 1.216 375 Q HN 0.493 nan 8.270 nan 0.000 0.415 376 M N 0.042 119.642 119.600 -0.001 0.000 2.242 376 M HA 0.090 4.570 4.480 -0.000 0.000 0.344 376 M C 1.396 177.708 176.300 0.019 0.000 1.140 376 M CA 0.075 55.388 55.300 0.022 0.000 1.160 376 M CB 0.790 33.418 32.600 0.046 0.000 1.491 376 M HN 0.093 nan 8.290 nan 0.000 0.459 377 K N 1.426 121.839 120.400 0.022 0.000 1.967 377 K HA -0.002 4.318 4.320 -0.000 0.000 0.212 377 K C 0.485 177.099 176.600 0.023 0.000 1.044 377 K CA 1.274 57.571 56.287 0.017 0.000 0.942 377 K CB 0.161 32.670 32.500 0.015 0.000 0.726 377 K HN 0.565 nan 8.250 nan 0.000 0.440 378 S N 1.354 117.068 115.700 0.024 0.000 2.386 378 S HA 0.352 4.822 4.470 -0.000 0.000 0.152 378 S C -2.873 171.733 174.600 0.010 0.000 1.511 378 S CA -1.502 56.711 58.200 0.020 0.000 1.246 378 S CB 0.634 63.836 63.200 0.003 0.000 1.338 378 S HN 0.171 nan 8.310 nan 0.000 0.409 379 P HA 0.455 nan 4.420 nan 0.000 0.272 379 P C -0.986 176.317 177.300 0.006 0.000 1.230 379 P CA -0.350 62.777 63.100 0.046 0.000 0.788 379 P CB 0.936 32.697 31.700 0.100 0.000 0.949 380 A N 2.778 125.603 122.820 0.009 0.000 2.375 380 A HA 0.635 4.955 4.320 -0.000 0.000 0.295 380 A C -0.287 177.326 177.584 0.049 0.000 1.066 380 A CA -0.782 51.238 52.037 -0.030 0.000 0.722 380 A CB 0.566 19.521 19.000 -0.075 0.000 1.206 380 A HN 0.415 nan 8.150 nan 0.000 0.435 381 I N 2.232 122.861 120.570 0.098 0.000 2.437 381 I HA 0.670 4.840 4.170 -0.000 0.000 0.298 381 I C 0.667 176.843 176.117 0.099 0.000 0.984 381 I CA -0.380 60.996 61.300 0.127 0.000 1.214 381 I CB 2.206 40.313 38.000 0.178 0.000 1.365 381 I HN 0.781 nan 8.210 nan 0.000 0.469 382 T N 1.743 116.345 114.554 0.081 0.000 2.778 382 T HA 0.950 5.300 4.350 -0.000 0.000 0.293 382 T C -0.766 173.967 174.700 0.055 0.000 1.144 382 T CA -0.809 61.328 62.100 0.061 0.000 1.010 382 T CB 2.247 71.137 68.868 0.037 0.000 1.325 382 T HN 0.991 nan 8.240 nan 0.000 0.515 383 A N -0.005 122.840 122.820 0.041 0.000 2.544 383 A HA 0.658 4.978 4.320 -0.000 0.000 0.291 383 A C -0.525 177.072 177.584 0.021 0.000 1.055 383 A CA -0.914 51.142 52.037 0.030 0.000 0.651 383 A CB 0.514 19.537 19.000 0.038 0.000 1.296 383 A HN 0.908 nan 8.150 nan 0.000 0.431 384 T N 2.225 116.787 114.554 0.012 0.000 3.185 384 T HA 0.338 4.687 4.350 -0.000 0.000 0.287 384 T C 1.037 175.745 174.700 0.014 0.000 1.051 384 T CA 0.200 62.305 62.100 0.009 0.000 1.051 384 T CB -0.538 68.330 68.868 0.000 0.000 1.034 384 T HN 0.443 nan 8.240 nan 0.000 0.685 385 L N 1.848 123.083 121.223 0.020 0.000 2.286 385 L HA 0.257 4.596 4.340 -0.000 0.000 0.203 385 L C 1.793 178.675 176.870 0.021 0.000 1.068 385 L CA 0.572 55.426 54.840 0.024 0.000 0.811 385 L CB 0.234 42.312 42.059 0.031 0.000 0.989 385 L HN 0.622 nan 8.230 nan 0.000 0.467 386 E N -0.604 119.607 120.200 0.018 0.000 3.626 386 E HA 0.461 4.810 4.350 -0.000 0.000 0.245 386 E C 0.497 177.104 176.600 0.012 0.000 1.236 386 E CA 0.333 56.742 56.400 0.015 0.000 1.072 386 E CB 0.085 29.795 29.700 0.017 0.000 1.309 386 E HN 0.447 nan 8.360 nan 0.000 0.400 387 G N 1.672 110.479 108.800 0.010 0.000 3.909 387 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.218 387 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.218 387 G C 0.819 175.723 174.900 0.007 0.000 1.404 387 G CA 0.433 45.538 45.100 0.008 0.000 0.905 387 G HN 1.110 nan 8.290 nan 0.000 0.589 388 K N 1.431 121.837 120.400 0.009 0.000 2.106 388 K HA 0.585 4.904 4.320 -0.000 0.000 0.246 388 K C -0.438 176.169 176.600 0.011 0.000 0.987 388 K CA -0.938 55.354 56.287 0.009 0.000 0.904 388 K CB 0.970 33.475 32.500 0.009 0.000 1.071 388 K HN 0.282 nan 8.250 nan 0.000 0.453 389 N N 1.382 120.089 118.700 0.010 0.000 2.525 389 N HA 0.134 4.874 4.740 -0.000 0.000 0.271 389 N C -0.572 174.949 175.510 0.019 0.000 1.194 389 N CA -0.157 52.901 53.050 0.014 0.000 0.964 389 N CB 1.189 39.682 38.487 0.010 0.000 1.126 389 N HN 0.461 nan 8.380 nan 0.000 0.452 390 R N -0.301 120.214 120.500 0.025 0.000 2.807 390 R HA 0.322 4.661 4.340 -0.000 0.000 0.276 390 R C -0.934 175.391 176.300 0.040 0.000 0.979 390 R CA -0.548 55.571 56.100 0.031 0.000 0.928 390 R CB 1.239 31.559 30.300 0.034 0.000 1.191 390 R HN 0.389 nan 8.270 nan 0.000 0.471 391 T N 4.902 119.482 114.554 0.043 0.000 2.739 391 T HA 0.131 4.481 4.350 -0.000 0.000 0.298 391 T C 1.100 175.850 174.700 0.082 0.000 0.929 391 T CA -0.364 61.769 62.100 0.054 0.000 1.014 391 T CB 0.641 69.533 68.868 0.041 0.000 0.914 391 T HN 0.358 nan 8.240 nan 0.000 0.509 392 L N 2.588 123.873 121.223 0.103 0.000 2.005 392 L HA 0.157 4.496 4.340 -0.000 0.000 0.207 392 L C 0.335 177.337 176.870 0.220 0.000 1.072 392 L CA 1.427 56.347 54.840 0.134 0.000 0.744 392 L CB -0.411 41.729 42.059 0.135 0.000 0.895 392 L HN 0.654 nan 8.230 nan 0.000 0.433 393 Y N -1.249 119.078 120.300 0.044 0.000 2.482 393 Y HA 0.575 5.125 4.550 -0.000 0.000 0.334 393 Y C -1.671 174.254 175.900 0.041 0.000 1.091 393 Y CA -2.081 56.043 58.100 0.041 0.000 1.027 393 Y CB 1.532 40.019 38.460 0.045 0.000 1.306 393 Y HN -0.131 nan 8.280 nan 0.000 0.446 394 L N 5.709 126.648 121.223 -0.473 0.000 2.441 394 L HA 0.472 4.811 4.340 -0.000 0.000 0.270 394 L C 0.218 176.732 176.870 -0.594 0.000 0.973 394 L CA -0.015 54.571 54.840 -0.424 0.000 0.842 394 L CB 1.962 43.925 42.059 -0.159 0.000 1.239 394 L HN 0.784 nan 8.230 nan 0.000 0.406 395 Q N 1.064 120.538 119.800 -0.543 0.000 2.163 395 Q HA -0.077 4.263 4.340 -0.000 0.000 0.198 395 Q C 1.764 177.669 176.000 -0.158 0.000 0.954 395 Q CA 1.215 56.805 55.803 -0.356 0.000 0.851 395 Q CB 0.333 28.928 28.738 -0.237 0.000 0.928 395 Q HN 0.909 nan 8.270 nan 0.000 0.459 396 S N 0.097 115.724 115.700 -0.121 0.000 2.393 396 S HA -0.155 4.315 4.470 -0.000 0.000 0.235 396 S C 0.950 175.521 174.600 -0.049 0.000 1.061 396 S CA 1.148 59.309 58.200 -0.065 0.000 1.129 396 S CB -0.054 63.117 63.200 -0.049 0.000 1.011 396 S HN 0.142 nan 8.310 nan 0.000 0.436 397 V N 2.033 121.916 119.914 -0.051 0.000 2.370 397 V HA 0.257 4.377 4.120 -0.000 0.000 0.283 397 V C 1.483 177.563 176.094 -0.022 0.000 1.023 397 V CA 0.178 62.460 62.300 -0.030 0.000 0.857 397 V CB 1.151 32.961 31.823 -0.023 0.000 0.985 397 V HN 0.717 nan 8.190 nan 0.000 0.443 398 T N 0.795 115.344 114.554 -0.009 0.000 2.849 398 T HA -0.198 4.152 4.350 -0.000 0.000 0.270 398 T C 1.916 176.626 174.700 0.016 0.000 1.066 398 T CA 1.701 63.805 62.100 0.007 0.000 1.130 398 T CB -0.235 68.640 68.868 0.011 0.000 0.864 398 T HN 0.752 nan 8.240 nan 0.000 0.481 399 S N 1.845 117.550 115.700 0.009 0.000 2.371 399 S HA 0.080 4.549 4.470 -0.000 0.000 0.224 399 S C 2.060 176.672 174.600 0.020 0.000 1.029 399 S CA 0.692 58.900 58.200 0.014 0.000 0.978 399 S CB -0.768 62.437 63.200 0.008 0.000 0.833 399 S HN 0.600 nan 8.310 nan 0.000 0.466 400 I N 2.074 122.651 120.570 0.012 0.000 2.761 400 I HA -0.012 4.158 4.170 -0.000 0.000 0.261 400 I C 2.684 178.822 176.117 0.036 0.000 1.198 400 I CA 1.256 62.566 61.300 0.017 0.000 1.482 400 I CB -0.341 37.658 38.000 -0.003 0.000 1.100 400 I HN 0.434 nan 8.210 nan 0.000 0.445 401 E N 1.895 122.114 120.200 0.031 0.000 2.046 401 E HA -0.208 4.142 4.350 -0.000 0.000 0.190 401 E C 1.799 178.488 176.600 0.148 0.000 0.982 401 E CA 1.395 57.846 56.400 0.085 0.000 0.800 401 E CB -0.207 29.520 29.700 0.046 0.000 0.756 401 E HN 0.422 nan 8.360 nan 0.000 0.449 402 E N 0.525 120.778 120.200 0.088 0.000 2.038 402 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 402 E C 2.234 178.878 176.600 0.073 0.000 1.000 402 E CA 1.385 57.830 56.400 0.074 0.000 0.803 402 E CB -0.224 29.504 29.700 0.046 0.000 0.750 402 E HN 0.242 nan 8.360 nan 0.000 0.448 403 R N 0.236 120.775 120.500 0.065 0.000 2.341 403 R HA -0.075 4.265 4.340 -0.000 0.000 0.213 403 R C 1.914 178.261 176.300 0.079 0.000 1.082 403 R CA 1.451 57.586 56.100 0.058 0.000 1.017 403 R CB -0.158 30.170 30.300 0.046 0.000 0.860 403 R HN 0.343 nan 8.270 nan 0.000 0.473 404 T N -3.637 110.994 114.554 0.128 0.000 2.964 404 T HA 0.093 4.443 4.350 -0.000 0.000 0.249 404 T C 1.729 176.504 174.700 0.126 0.000 1.000 404 T CA -0.447 61.763 62.100 0.182 0.000 0.992 404 T CB 0.128 69.194 68.868 0.331 0.000 1.087 404 T HN 0.058 nan 8.240 nan 0.000 0.489 405 R N 2.011 122.577 120.500 0.110 0.000 2.103 405 R HA -0.065 4.275 4.340 -0.000 0.000 0.242 405 R C -0.872 175.367 176.300 -0.101 0.000 1.142 405 R CA 1.840 57.900 56.100 -0.067 0.000 0.960 405 R CB -1.265 29.041 30.300 0.011 0.000 0.858 405 R HN 0.311 nan 8.270 nan 0.000 0.439 406 P HA -0.181 nan 4.420 nan 0.000 0.216 406 P C 0.463 177.731 177.300 -0.054 0.000 1.157 406 P CA 1.409 64.488 63.100 -0.035 0.000 0.880 406 P CB -0.227 31.468 31.700 -0.008 0.000 0.791 407 N N -0.918 117.755 118.700 -0.044 0.000 2.635 407 N HA -0.067 4.672 4.740 -0.000 0.000 0.191 407 N C 1.431 176.885 175.510 -0.094 0.000 1.155 407 N CA 0.636 53.661 53.050 -0.042 0.000 0.927 407 N CB -0.350 38.140 38.487 0.005 0.000 0.976 407 N HN 0.235 nan 8.380 nan 0.000 0.448 408 L N -0.796 120.321 121.223 -0.177 0.000 2.341 408 L HA -0.002 4.338 4.340 -0.000 0.000 0.214 408 L C 2.145 178.927 176.870 -0.146 0.000 1.115 408 L CA 0.525 55.222 54.840 -0.238 0.000 0.820 408 L CB -0.082 41.736 42.059 -0.402 0.000 0.944 408 L HN 0.047 nan 8.230 nan 0.000 0.452 409 S N -0.753 114.881 115.700 -0.109 0.000 2.528 409 S HA 0.051 4.521 4.470 -0.000 0.000 0.219 409 S C 0.908 175.467 174.600 -0.068 0.000 0.985 409 S CA -0.082 58.069 58.200 -0.082 0.000 0.914 409 S CB 0.149 63.310 63.200 -0.066 0.000 0.776 409 S HN 0.182 nan 8.310 nan 0.000 0.526 410 K N 2.349 122.712 120.400 -0.061 0.000 2.202 410 K HA 0.213 4.533 4.320 -0.000 0.000 0.264 410 K C 0.431 176.999 176.600 -0.053 0.000 1.010 410 K CA -0.024 56.235 56.287 -0.047 0.000 0.940 410 K CB 0.781 33.263 32.500 -0.029 0.000 0.983 410 K HN 0.365 nan 8.250 nan 0.000 0.475 411 T N -1.261 113.261 114.554 -0.053 0.000 2.874 411 T HA 0.228 4.578 4.350 -0.000 0.000 0.281 411 T C 1.607 176.283 174.700 -0.041 0.000 0.994 411 T CA -0.837 61.222 62.100 -0.069 0.000 1.015 411 T CB 0.560 69.374 68.868 -0.090 0.000 1.028 411 T HN 0.432 nan 8.240 nan 0.000 0.523 412 L N 0.581 121.779 121.223 -0.040 0.000 1.929 412 L HA -0.128 4.212 4.340 -0.000 0.000 0.229 412 L C 3.013 179.915 176.870 0.054 0.000 1.086 412 L CA 1.507 56.377 54.840 0.049 0.000 0.798 412 L CB -0.774 41.348 42.059 0.104 0.000 0.898 412 L HN 0.669 nan 8.230 nan 0.000 0.436 413 K N 0.427 120.794 120.400 -0.055 0.000 2.089 413 K HA -0.280 4.040 4.320 -0.000 0.000 0.210 413 K C 1.965 178.569 176.600 0.006 0.000 1.048 413 K CA 2.048 58.324 56.287 -0.018 0.000 0.926 413 K CB -0.384 32.029 32.500 -0.145 0.000 0.714 413 K HN 0.427 nan 8.250 nan 0.000 0.448 414 E N 0.547 120.732 120.200 -0.025 0.000 2.097 414 E HA -0.203 4.146 4.350 -0.000 0.000 0.196 414 E C 1.143 177.748 176.600 0.008 0.000 1.000 414 E CA 1.485 57.877 56.400 -0.014 0.000 0.804 414 E CB -0.091 29.591 29.700 -0.030 0.000 0.740 414 E HN 0.233 nan 8.360 nan 0.000 0.454 415 L N -1.621 119.615 121.223 0.021 0.000 2.805 415 L HA 0.506 4.845 4.340 -0.000 0.000 0.237 415 L C 1.043 177.944 176.870 0.052 0.000 1.252 415 L CA 0.582 55.442 54.840 0.033 0.000 1.064 415 L CB -0.074 42.004 42.059 0.032 0.000 1.361 415 L HN 0.168 nan 8.230 nan 0.000 0.474 416 G N -0.367 108.467 108.800 0.057 0.000 2.184 416 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.264 416 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.264 416 G C 0.240 175.199 174.900 0.098 0.000 0.975 416 G CA 0.350 45.490 45.100 0.068 0.000 0.642 416 G HN 0.420 nan 8.290 nan 0.000 0.536 417 L N 2.003 123.309 121.223 0.139 0.000 2.623 417 L HA 0.303 4.643 4.340 -0.000 0.000 0.281 417 L C 1.784 178.802 176.870 0.247 0.000 1.150 417 L CA -0.104 54.846 54.840 0.183 0.000 0.965 417 L CB 0.078 42.288 42.059 0.252 0.000 1.303 417 L HN 0.348 nan 8.230 nan 0.000 0.467 418 V N 0.633 120.618 119.914 0.118 0.000 3.843 418 V HA 0.195 4.315 4.120 -0.000 0.000 0.289 418 V C 0.048 176.097 176.094 -0.076 0.000 1.065 418 V CA -0.392 61.963 62.300 0.093 0.000 1.079 418 V CB 1.045 32.889 31.823 0.034 0.000 1.192 418 V HN 0.673 nan 8.190 nan 0.000 0.464 419 D N -1.428 118.907 120.400 -0.108 0.000 2.374 419 D HA 0.623 5.263 4.640 -0.000 0.000 0.239 419 D C 0.628 176.816 176.300 -0.187 0.000 0.991 419 D CA 0.420 54.211 54.000 -0.348 0.000 0.960 419 D CB 1.489 42.186 40.800 -0.172 0.000 1.284 419 D HN 1.511 nan 8.370 nan 0.000 0.512 420 G N 1.202 109.880 108.800 -0.202 0.000 2.273 420 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.280 420 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.280 420 G C -0.272 174.560 174.900 -0.114 0.000 1.047 420 G CA 0.990 46.032 45.100 -0.097 0.000 0.869 420 G HN 0.709 nan 8.290 nan 0.000 0.502 421 Q N -1.136 118.559 119.800 -0.174 0.000 2.397 421 Q HA 0.724 5.064 4.340 -0.000 0.000 0.275 421 Q C -0.350 175.572 176.000 -0.129 0.000 1.090 421 Q CA -1.125 54.605 55.803 -0.122 0.000 0.809 421 Q CB 1.871 30.552 28.738 -0.094 0.000 1.362 421 Q HN 0.374 nan 8.270 nan 0.000 0.431 422 E N 1.724 121.876 120.200 -0.079 0.000 2.345 422 E HA 0.450 4.800 4.350 -0.000 0.000 0.259 422 E C -0.713 175.879 176.600 -0.013 0.000 1.117 422 E CA -0.650 55.719 56.400 -0.052 0.000 0.913 422 E CB 1.124 30.798 29.700 -0.045 0.000 1.057 422 E HN 0.429 nan 8.360 nan 0.000 0.432 423 L N 1.167 122.412 121.223 0.036 0.000 2.381 423 L HA 0.502 4.842 4.340 -0.000 0.000 0.274 423 L C -0.561 176.347 176.870 0.064 0.000 0.988 423 L CA -0.987 53.900 54.840 0.079 0.000 0.824 423 L CB 1.851 44.001 42.059 0.152 0.000 1.263 423 L HN 0.533 nan 8.230 nan 0.000 0.410 424 A N 3.749 126.590 122.820 0.034 0.000 2.289 424 A HA 0.730 5.050 4.320 -0.000 0.000 0.298 424 A C -0.502 177.098 177.584 0.027 0.000 1.208 424 A CA -0.366 51.666 52.037 -0.008 0.000 0.845 424 A CB 0.885 19.876 19.000 -0.015 0.000 1.125 424 A HN 0.421 nan 8.150 nan 0.000 0.517 425 V N 1.777 121.685 119.914 -0.011 0.000 2.588 425 V HA 0.725 4.844 4.120 -0.000 0.000 0.304 425 V C 0.272 176.359 176.094 -0.011 0.000 1.042 425 V CA -0.231 62.094 62.300 0.042 0.000 0.877 425 V CB 1.526 33.444 31.823 0.159 0.000 0.996 425 V HN 1.238 nan 8.190 nan 0.000 0.425 426 A N 3.386 126.211 122.820 0.009 0.000 2.374 426 A HA 0.891 5.211 4.320 -0.000 0.000 0.317 426 A C -1.013 176.579 177.584 0.013 0.000 1.094 426 A CA -0.452 51.582 52.037 -0.005 0.000 0.765 426 A CB 1.668 20.664 19.000 -0.007 0.000 1.268 426 A HN 0.815 nan 8.150 nan 0.000 0.438 427 D N 0.939 121.349 120.400 0.017 0.000 2.602 427 D HA 0.253 4.893 4.640 -0.000 0.000 0.236 427 D C 0.318 176.654 176.300 0.060 0.000 1.209 427 D CA -0.409 53.611 54.000 0.033 0.000 0.831 427 D CB 2.342 43.166 40.800 0.039 0.000 1.478 427 D HN 0.198 nan 8.370 nan 0.000 0.438 428 V N 1.815 121.769 119.914 0.067 0.000 3.383 428 V HA -0.087 4.032 4.120 -0.000 0.000 0.272 428 V C 2.135 178.326 176.094 0.163 0.000 1.181 428 V CA 1.548 63.912 62.300 0.107 0.000 1.171 428 V CB -0.707 31.150 31.823 0.056 0.000 0.800 428 V HN 0.613 nan 8.190 nan 0.000 0.515 429 T N -1.163 113.463 114.554 0.121 0.000 2.976 429 T HA -0.001 4.349 4.350 -0.000 0.000 0.257 429 T C 0.957 175.734 174.700 0.128 0.000 1.051 429 T CA 1.479 63.651 62.100 0.120 0.000 1.141 429 T CB 0.134 69.038 68.868 0.059 0.000 0.881 429 T HN 0.568 nan 8.240 nan 0.000 0.461 430 T N 1.223 115.796 114.554 0.032 0.000 2.916 430 T HA 0.481 4.830 4.350 -0.000 0.000 0.298 430 T C -2.290 172.242 174.700 -0.281 0.000 1.031 430 T CA -1.735 60.268 62.100 -0.162 0.000 0.993 430 T CB 2.149 70.936 68.868 -0.135 0.000 1.045 430 T HN -0.138 nan 8.240 nan 0.000 0.454 431 P HA -0.040 nan 4.420 nan 0.000 0.226 431 P C 0.320 177.459 177.300 -0.269 0.000 1.153 431 P CA 0.595 63.393 63.100 -0.503 0.000 0.777 431 P CB 0.219 31.333 31.700 -0.976 0.000 0.794 432 Q N -0.371 119.272 119.800 -0.261 0.000 2.249 432 Q HA 0.377 4.717 4.340 -0.000 0.000 0.226 432 Q C -0.593 175.327 176.000 -0.132 0.000 0.983 432 Q CA -0.391 55.309 55.803 -0.172 0.000 0.930 432 Q CB -0.126 28.512 28.738 -0.167 0.000 1.193 432 Q HN -0.257 nan 8.270 nan 0.000 0.508 433 T N 1.435 115.919 114.554 -0.117 0.000 2.929 433 T HA 0.221 4.571 4.350 -0.000 0.000 0.331 433 T C -0.577 174.023 174.700 -0.167 0.000 1.120 433 T CA -0.493 61.538 62.100 -0.115 0.000 0.973 433 T CB 0.614 69.430 68.868 -0.087 0.000 1.036 433 T HN 0.453 nan 8.240 nan 0.000 0.502 434 V N 6.721 126.506 119.914 -0.215 0.000 2.529 434 V HA 0.316 4.435 4.120 -0.000 0.000 0.292 434 V C -0.043 175.728 176.094 -0.538 0.000 1.028 434 V CA -0.071 62.014 62.300 -0.358 0.000 1.074 434 V CB -0.102 31.492 31.823 -0.382 0.000 0.958 434 V HN 0.671 nan 8.190 nan 0.000 0.481 435 L N 7.518 128.439 121.223 -0.505 0.000 2.399 435 L HA 0.620 4.959 4.340 -0.000 0.000 0.265 435 L C -0.681 175.839 176.870 -0.583 0.000 1.089 435 L CA -0.350 54.234 54.840 -0.427 0.000 0.802 435 L CB 1.344 43.276 42.059 -0.211 0.000 1.180 435 L HN 0.530 nan 8.230 nan 0.000 0.454 436 F N 0.299 120.223 119.950 -0.044 0.000 2.581 436 F HA 0.382 4.909 4.527 -0.000 0.000 0.311 436 F C -0.249 175.479 175.800 -0.120 0.000 1.113 436 F CA -0.963 56.999 58.000 -0.063 0.000 0.935 436 F CB 2.136 41.114 39.000 -0.036 0.000 1.232 436 F HN 0.250 nan 8.300 nan 0.000 0.445 437 K N 3.142 123.558 120.400 0.026 0.000 2.281 437 K HA 0.410 4.730 4.320 -0.000 0.000 0.272 437 K C -1.030 175.315 176.600 -0.426 0.000 1.048 437 K CA -0.751 55.416 56.287 -0.200 0.000 0.898 437 K CB 1.261 33.631 32.500 -0.217 0.000 1.128 437 K HN 0.384 nan 8.250 nan 0.000 0.460 438 L N 4.752 125.742 121.223 -0.388 0.000 2.410 438 L HA 0.131 4.471 4.340 -0.000 0.000 0.273 438 L C -0.878 175.648 176.870 -0.574 0.000 1.144 438 L CA 0.460 55.050 54.840 -0.416 0.000 0.863 438 L CB 0.090 41.955 42.059 -0.323 0.000 1.140 438 L HN 0.591 nan 8.230 nan 0.000 0.463 439 H N 6.658 125.627 119.070 -0.167 0.000 2.792 439 H HA 0.265 4.821 4.556 -0.000 0.000 0.298 439 H C -0.728 174.633 175.328 0.055 0.000 1.042 439 H CA -0.500 55.486 56.048 -0.103 0.000 1.300 439 H CB 0.370 30.093 29.762 -0.065 0.000 1.431 439 H HN 0.554 nan 8.280 nan 0.000 0.496 440 F N 2.826 122.848 119.950 0.121 0.000 2.504 440 F HA 0.134 4.660 4.527 -0.000 0.000 0.369 440 F C 0.654 176.498 175.800 0.072 0.000 1.082 440 F CA 0.008 58.060 58.000 0.088 0.000 1.216 440 F CB 0.792 39.832 39.000 0.066 0.000 1.108 440 F HN 0.341 nan 8.300 nan 0.000 0.554 441 T N -0.057 114.650 114.554 0.254 0.000 3.566 441 T HA 0.344 4.694 4.350 -0.000 0.000 0.330 441 T C -0.638 174.115 174.700 0.089 0.000 0.877 441 T CA -0.882 61.298 62.100 0.134 0.000 1.030 441 T CB 0.845 69.770 68.868 0.095 0.000 1.033 441 T HN 0.348 nan 8.240 nan 0.000 0.463 442 S N 0.000 115.730 115.700 0.051 0.000 2.498 442 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 442 S CA 0.000 58.210 58.200 0.017 0.000 1.107 442 S CB 0.000 63.189 63.200 -0.018 0.000 0.593 442 S HN 0.000 nan 8.310 nan 0.000 0.517