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 1dwe_1_H DATA FIRST_RESID 16 DATA SEQUENCE IVEGSDAEIG MSPWQVMLFR SPQELLcGAS LISDRWVLTA AHcLTENDLL DATA SEQUENCE VRIGKHSRTR YRNIEKISML EKIYIHPRYN WENLDRDIAL MKLKKPVAFS DATA SEQUENCE DYIHPVCLPD RETLLQAGYK GRVTGWGNLK ETWKGQPSVL QVVNLPIVER DATA SEQUENCE PVcKDSTRIR ITDNMFcAYK KRGDAcEGDS GGPFVMKSNN RWYQMGIVSW DATA SEQUENCE GEXGcRDGKY GFYTHVFRLK KWIQKVIDQF G 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 16 I HA 0.000 nan 4.170 nan 0.000 0.288 16 I C 0.000 176.139 176.117 0.037 0.000 1.063 16 I CA 0.000 61.325 61.300 0.041 0.000 1.566 16 I CB 0.000 38.006 38.000 0.010 0.000 1.214 17 V N 5.174 125.123 119.914 0.057 0.000 2.483 17 V HA 0.497 4.616 4.120 -0.002 0.000 0.295 17 V C 0.717 176.843 176.094 0.054 0.000 1.035 17 V CA -0.435 61.897 62.300 0.054 0.000 0.896 17 V CB 1.453 33.318 31.823 0.069 0.000 0.986 17 V HN 0.862 nan 8.190 nan 0.000 0.447 18 E N 1.402 121.624 120.200 0.037 0.000 2.722 18 E HA -0.194 4.155 4.350 -0.002 0.000 0.265 18 E C 0.672 177.294 176.600 0.037 0.000 1.081 18 E CA 1.057 57.478 56.400 0.035 0.000 0.781 18 E CB -1.262 28.465 29.700 0.045 0.000 1.372 18 E HN 1.014 nan 8.360 nan 0.000 0.423 19 G N -0.791 108.024 108.800 0.025 0.000 2.630 19 G HA2 0.594 4.553 3.960 -0.002 0.000 0.223 19 G HA3 0.594 4.553 3.960 -0.002 0.000 0.223 19 G C -0.140 174.760 174.900 0.000 0.000 1.434 19 G CA 0.282 45.392 45.100 0.016 0.000 1.057 19 G HN 0.125 nan 8.290 nan 0.000 0.570 20 S N -1.191 114.500 115.700 -0.015 0.000 2.638 20 S HA 0.437 4.906 4.470 -0.002 0.000 0.274 20 S C -1.710 172.869 174.600 -0.036 0.000 1.157 20 S CA -0.599 57.590 58.200 -0.018 0.000 0.826 20 S CB 1.793 64.988 63.200 -0.009 0.000 1.139 20 S HN 0.478 nan 8.310 nan 0.000 0.474 21 D N 1.986 122.372 120.400 -0.023 0.000 2.389 21 D HA 0.503 5.142 4.640 -0.002 0.000 0.247 21 D C 0.196 176.489 176.300 -0.011 0.000 1.128 21 D CA 0.154 54.139 54.000 -0.025 0.000 0.884 21 D CB 0.873 41.684 40.800 0.018 0.000 1.194 21 D HN 0.603 nan 8.370 nan 0.000 0.441 22 A N 2.536 125.341 122.820 -0.026 0.000 2.287 22 A HA 0.279 4.598 4.320 -0.002 0.000 0.273 22 A C 0.456 178.118 177.584 0.130 0.000 1.091 22 A CA -0.468 51.570 52.037 0.002 0.000 0.817 22 A CB 0.400 19.357 19.000 -0.072 0.000 1.069 22 A HN 0.542 nan 8.150 nan 0.000 0.492 23 E N 0.040 120.265 120.200 0.041 0.000 2.345 23 E HA 0.338 4.687 4.350 -0.002 0.000 0.259 23 E C -0.572 176.009 176.600 -0.031 0.000 1.117 23 E CA -0.341 56.062 56.400 0.006 0.000 0.913 23 E CB 0.809 30.488 29.700 -0.034 0.000 1.057 23 E HN 0.544 nan 8.360 nan 0.000 0.432 24 I N 1.235 121.719 120.570 -0.143 0.000 2.692 24 I HA 0.004 4.173 4.170 -0.002 0.000 0.284 24 I C 1.364 177.451 176.117 -0.050 0.000 1.159 24 I CA 0.651 61.848 61.300 -0.171 0.000 1.423 24 I CB 0.228 38.118 38.000 -0.182 0.000 1.380 24 I HN 0.860 nan 8.210 nan 0.000 0.580 25 G N 5.395 114.207 108.800 0.020 0.000 2.233 25 G HA2 -0.339 3.620 3.960 -0.002 0.000 0.270 25 G HA3 -0.339 3.620 3.960 -0.002 0.000 0.270 25 G C 0.861 175.627 174.900 -0.224 0.000 1.011 25 G CA 0.734 45.798 45.100 -0.061 0.000 0.762 25 G HN 0.790 nan 8.290 nan 0.000 0.511 26 M N -0.161 119.305 119.600 -0.224 0.000 2.558 26 M HA 0.319 4.798 4.480 -0.002 0.000 0.255 26 M C 1.134 177.095 176.300 -0.566 0.000 1.113 26 M CA 1.672 56.787 55.300 -0.309 0.000 1.097 26 M CB 0.378 32.859 32.600 -0.199 0.000 1.426 26 M HN 0.536 nan 8.290 nan 0.000 0.488 27 S N 0.755 116.057 115.700 -0.663 0.000 2.708 27 S HA 0.347 4.816 4.470 -0.002 0.000 0.141 27 S C -2.390 171.581 174.600 -1.049 0.000 1.349 27 S CA -0.975 56.554 58.200 -1.119 0.000 1.206 27 S CB 0.530 63.333 63.200 -0.662 0.000 1.603 27 S HN 0.196 nan 8.310 nan 0.000 0.415 28 P HA 0.104 nan 4.420 nan 0.000 0.239 28 P C 0.542 177.701 177.300 -0.235 0.000 1.184 28 P CA 0.332 63.162 63.100 -0.450 0.000 0.760 28 P CB -0.555 30.977 31.700 -0.281 0.000 0.884 29 W N -1.505 119.778 121.300 -0.029 0.000 3.220 29 W HA 0.439 5.098 4.660 -0.002 0.000 0.328 29 W C 0.434 176.971 176.519 0.030 0.000 1.205 29 W CA -0.619 56.718 57.345 -0.014 0.000 1.773 29 W CB -1.279 28.156 29.460 -0.042 0.000 1.086 29 W HN -0.174 nan 8.180 nan 0.000 0.622 30 Q N 2.294 122.129 119.800 0.058 0.000 2.297 30 Q HA 0.346 4.685 4.340 -0.002 0.000 0.267 30 Q C -0.840 175.295 176.000 0.225 0.000 1.006 30 Q CA 0.162 56.040 55.803 0.126 0.000 0.896 30 Q CB 0.981 29.671 28.738 -0.081 0.000 1.186 30 Q HN 0.102 nan 8.270 nan 0.000 0.392 31 V N 5.914 125.995 119.914 0.280 0.000 2.628 31 V HA 0.431 4.550 4.120 -0.002 0.000 0.306 31 V C -0.275 176.041 176.094 0.370 0.000 1.045 31 V CA -0.839 61.634 62.300 0.290 0.000 0.905 31 V CB 1.849 33.808 31.823 0.227 0.000 0.997 31 V HN 0.939 nan 8.190 nan 0.000 0.436 32 M N 4.750 124.527 119.600 0.294 0.000 2.238 32 M HA 0.567 5.045 4.480 -0.002 0.000 0.350 32 M C -1.594 174.798 176.300 0.153 0.000 1.138 32 M CA -0.791 54.634 55.300 0.208 0.000 1.040 32 M CB 1.360 33.836 32.600 -0.207 0.000 1.639 32 M HN 0.552 nan 8.290 nan 0.000 0.451 33 L N 6.006 127.330 121.223 0.168 0.000 2.270 33 L HA 0.428 4.767 4.340 -0.002 0.000 0.286 33 L C -1.548 175.418 176.870 0.160 0.000 1.059 33 L CA 0.153 55.078 54.840 0.143 0.000 0.839 33 L CB 0.401 42.528 42.059 0.113 0.000 1.221 33 L HN 0.617 nan 8.230 nan 0.000 0.431 34 F N 4.648 124.588 119.950 -0.017 0.000 2.421 34 F HA 0.531 5.057 4.527 -0.001 0.000 0.337 34 F C 0.666 176.450 175.800 -0.027 0.000 1.105 34 F CA -0.348 57.629 58.000 -0.038 0.000 1.049 34 F CB 0.868 39.830 39.000 -0.063 0.000 1.139 34 F HN 0.506 nan 8.300 nan 0.000 0.479 35 R N 1.846 122.034 120.500 -0.520 0.000 2.523 35 R HA 0.377 4.716 4.340 -0.002 0.000 0.229 35 R C -0.385 175.635 176.300 -0.468 0.000 1.265 35 R CA -0.589 55.277 56.100 -0.390 0.000 1.081 35 R CB 0.945 31.042 30.300 -0.338 0.000 1.540 35 R HN 0.632 nan 8.270 nan 0.000 0.560 36 S N 1.601 117.232 115.700 -0.114 0.000 2.465 36 S HA 0.207 4.676 4.470 -0.002 0.000 0.280 36 S C -1.978 172.567 174.600 -0.091 0.000 1.232 36 S CA -1.447 56.698 58.200 -0.092 0.000 1.066 36 S CB 0.367 63.535 63.200 -0.054 0.000 0.929 36 S HN 0.359 nan 8.310 nan 0.000 0.494 37 P HA 0.190 nan 4.420 nan 0.000 0.274 37 P C -0.803 176.385 177.300 -0.186 0.000 1.231 37 P CA -0.470 62.568 63.100 -0.103 0.000 0.790 37 P CB 0.343 31.996 31.700 -0.078 0.000 0.951 38 Q N 1.282 120.973 119.800 -0.182 0.000 2.274 38 Q HA 0.174 4.513 4.340 -0.002 0.000 0.280 38 Q C 0.287 176.039 176.000 -0.413 0.000 1.047 38 Q CA 0.701 56.282 55.803 -0.370 0.000 0.907 38 Q CB 0.183 28.897 28.738 -0.040 0.000 1.171 38 Q HN 0.520 nan 8.270 nan 0.000 0.381 39 E N 1.403 121.151 120.200 -0.753 0.000 2.392 39 E HA 0.277 4.626 4.350 -0.002 0.000 0.281 39 E C -1.654 174.712 176.600 -0.390 0.000 1.088 39 E CA -0.894 55.273 56.400 -0.387 0.000 0.850 39 E CB 0.500 30.083 29.700 -0.195 0.000 1.267 39 E HN 0.437 nan 8.360 nan 0.000 0.438 40 L N 3.292 124.460 121.223 -0.091 0.000 2.315 40 L HA 0.272 4.611 4.340 -0.002 0.000 0.283 40 L C 0.104 176.984 176.870 0.015 0.000 1.089 40 L CA -0.381 54.470 54.840 0.018 0.000 0.833 40 L CB 0.231 42.341 42.059 0.085 0.000 1.170 40 L HN 0.708 nan 8.230 nan 0.000 0.442 41 L N 4.387 125.619 121.223 0.014 0.000 2.071 41 L HA 0.128 4.467 4.340 -0.002 0.000 0.201 41 L C 0.526 177.440 176.870 0.073 0.000 1.076 41 L CA 0.464 55.319 54.840 0.026 0.000 0.755 41 L CB -0.047 42.015 42.059 0.005 0.000 0.915 41 L HN 0.632 nan 8.230 nan 0.000 0.445 42 c N -2.394 116.268 118.600 0.103 0.000 3.272 42 c HA 0.580 5.149 4.570 -0.002 0.000 0.363 42 c C 0.426 174.635 174.090 0.198 0.000 1.514 42 c CA -0.902 55.506 56.329 0.131 0.000 1.185 42 c CB 0.868 43.417 42.510 0.064 0.000 1.716 42 c HN 0.474 nan 8.230 nan 0.000 0.440 43 G N -0.153 108.771 108.800 0.208 0.000 2.557 43 G HA2 0.891 4.850 3.960 -0.002 0.000 0.302 43 G HA3 0.891 4.850 3.960 -0.002 0.000 0.302 43 G C -0.637 174.383 174.900 0.201 0.000 1.311 43 G CA 0.399 45.653 45.100 0.257 0.000 1.030 43 G HN 1.793 nan 8.290 nan 0.000 0.509 44 A N -1.361 121.588 122.820 0.216 0.000 2.456 44 A HA 0.770 5.089 4.320 -0.002 0.000 0.294 44 A C -0.502 177.214 177.584 0.220 0.000 1.057 44 A CA 0.209 52.364 52.037 0.197 0.000 0.623 44 A CB 0.707 19.817 19.000 0.183 0.000 1.338 44 A HN 2.143 nan 8.150 nan 0.000 0.464 45 S N -0.665 115.163 115.700 0.214 0.000 2.549 45 S HA 0.694 5.163 4.470 -0.002 0.000 0.280 45 S C -1.206 173.526 174.600 0.220 0.000 1.109 45 S CA -0.570 57.774 58.200 0.239 0.000 0.905 45 S CB 1.491 64.814 63.200 0.206 0.000 1.081 45 S HN 1.885 nan 8.310 nan 0.000 0.477 46 L N 3.526 124.895 121.223 0.244 0.000 2.261 46 L HA 0.517 4.856 4.340 -0.002 0.000 0.289 46 L C 0.677 177.643 176.870 0.159 0.000 1.059 46 L CA -0.414 54.555 54.840 0.215 0.000 0.816 46 L CB 0.399 42.590 42.059 0.220 0.000 1.191 46 L HN 0.866 nan 8.230 nan 0.000 0.431 47 I N 1.312 121.978 120.570 0.159 0.000 3.968 47 I HA 0.364 4.533 4.170 -0.002 0.000 0.328 47 I C 0.249 176.441 176.117 0.125 0.000 1.290 47 I CA 0.303 61.662 61.300 0.098 0.000 1.163 47 I CB 0.063 38.109 38.000 0.077 0.000 1.024 47 I HN 0.628 nan 8.210 nan 0.000 0.413 48 S N 0.576 116.412 115.700 0.227 0.000 2.627 48 S HA 0.105 4.574 4.470 -0.002 0.000 0.268 48 S C 0.147 174.969 174.600 0.371 0.000 1.130 48 S CA -0.065 58.316 58.200 0.301 0.000 0.819 48 S CB 0.929 64.285 63.200 0.260 0.000 1.100 48 S HN 0.332 nan 8.310 nan 0.000 0.465 49 D N 0.354 120.953 120.400 0.331 0.000 2.393 49 D HA -0.150 4.489 4.640 -0.002 0.000 0.220 49 D C 0.939 177.258 176.300 0.032 0.000 0.974 49 D CA 1.115 55.145 54.000 0.049 0.000 0.931 49 D CB -0.174 40.410 40.800 -0.360 0.000 0.889 49 D HN 0.665 nan 8.370 nan 0.000 0.512 50 R N -2.196 118.348 120.500 0.073 0.000 2.526 50 R HA 0.192 4.531 4.340 -0.002 0.000 0.346 50 R C -0.890 175.271 176.300 -0.231 0.000 0.926 50 R CA -0.496 55.550 56.100 -0.090 0.000 1.147 50 R CB 0.463 30.661 30.300 -0.170 0.000 1.629 50 R HN -0.022 nan 8.270 nan 0.000 0.516 51 W N 0.357 121.692 121.300 0.058 0.000 2.666 51 W HA 0.588 5.247 4.660 -0.002 0.000 0.334 51 W C -0.768 175.801 176.519 0.083 0.000 1.051 51 W CA -0.690 56.688 57.345 0.055 0.000 1.224 51 W CB 2.040 31.507 29.460 0.011 0.000 1.405 51 W HN -0.345 nan 8.180 nan 0.000 0.513 52 V N 4.254 124.386 119.914 0.363 0.000 2.656 52 V HA 0.458 4.577 4.120 -0.002 0.000 0.307 52 V C -1.162 175.098 176.094 0.277 0.000 1.051 52 V CA -1.085 61.376 62.300 0.268 0.000 0.893 52 V CB 1.755 33.698 31.823 0.200 0.000 0.999 52 V HN 0.325 nan 8.190 nan 0.000 0.426 53 L N 4.293 125.654 121.223 0.229 0.000 2.305 53 L HA 0.853 5.192 4.340 -0.002 0.000 0.284 53 L C -0.104 176.880 176.870 0.191 0.000 1.013 53 L CA 0.831 55.801 54.840 0.218 0.000 0.819 53 L CB 1.711 43.883 42.059 0.188 0.000 1.227 53 L HN 0.849 nan 8.230 nan 0.000 0.417 54 T N 3.121 117.782 114.554 0.178 0.000 2.669 54 T HA 0.867 5.216 4.350 -0.002 0.000 0.283 54 T C -1.076 173.674 174.700 0.083 0.000 1.019 54 T CA -0.073 62.102 62.100 0.126 0.000 1.039 54 T CB 1.326 70.255 68.868 0.102 0.000 1.374 54 T HN 0.827 nan 8.240 nan 0.000 0.523 55 A N 0.509 123.331 122.820 0.003 0.000 2.309 55 A HA 0.731 5.050 4.320 -0.002 0.000 0.298 55 A C 1.408 178.890 177.584 -0.170 0.000 1.165 55 A CA 0.167 52.163 52.037 -0.069 0.000 0.821 55 A CB 0.399 19.326 19.000 -0.123 0.000 1.102 55 A HN 1.133 nan 8.150 nan 0.000 0.500 56 A N 1.416 124.090 122.820 -0.243 0.000 1.877 56 A HA -0.178 4.141 4.320 -0.002 0.000 0.216 56 A C 1.824 179.220 177.584 -0.313 0.000 1.186 56 A CA 1.817 53.612 52.037 -0.404 0.000 0.620 56 A CB -1.169 17.273 19.000 -0.931 0.000 0.822 56 A HN 1.164 nan 8.150 nan 0.000 0.443 57 H N -1.203 117.753 119.070 -0.189 0.000 2.554 57 H HA -0.136 4.419 4.556 -0.002 0.000 0.290 57 H C 1.663 177.010 175.328 0.033 0.000 1.058 57 H CA 1.384 57.460 56.048 0.047 0.000 1.224 57 H CB -0.710 29.155 29.762 0.172 0.000 1.359 57 H HN 0.443 nan 8.280 nan 0.000 0.589 58 c N 0.891 119.287 118.600 -0.341 0.000 2.464 58 c HA 0.201 4.770 4.570 -0.002 0.000 0.278 58 c C 1.549 175.604 174.090 -0.059 0.000 1.375 58 c CA -0.172 56.040 56.329 -0.195 0.000 1.761 58 c CB -0.547 41.862 42.510 -0.169 0.000 1.944 58 c HN 0.350 nan 8.230 nan 0.000 0.509 59 L N 0.056 121.248 121.223 -0.051 0.000 2.335 59 L HA 0.513 4.852 4.340 -0.002 0.000 0.268 59 L C 0.554 177.416 176.870 -0.014 0.000 1.016 59 L CA -0.135 54.692 54.840 -0.022 0.000 0.805 59 L CB 0.889 42.941 42.059 -0.012 0.000 1.311 59 L HN 0.095 nan 8.230 nan 0.000 0.456 60 T N -3.734 110.807 114.554 -0.021 0.000 2.949 60 T HA 0.284 4.633 4.350 -0.002 0.000 0.287 60 T C 0.689 175.377 174.700 -0.020 0.000 1.034 60 T CA -0.602 61.486 62.100 -0.021 0.000 1.018 60 T CB 1.536 70.390 68.868 -0.023 0.000 1.135 60 T HN 0.570 nan 8.240 nan 0.000 0.532 61 E N 0.749 120.934 120.200 -0.025 0.000 2.187 61 E HA -0.170 4.179 4.350 -0.002 0.000 0.199 61 E C 1.797 178.387 176.600 -0.017 0.000 1.004 61 E CA 1.739 58.125 56.400 -0.023 0.000 0.813 61 E CB -0.241 29.438 29.700 -0.035 0.000 0.736 61 E HN 0.580 nan 8.360 nan 0.000 0.468 62 N N 0.524 119.213 118.700 -0.019 0.000 2.416 62 N HA -0.068 4.671 4.740 -0.002 0.000 0.177 62 N C 0.494 175.995 175.510 -0.016 0.000 1.036 62 N CA 0.756 53.796 53.050 -0.016 0.000 0.901 62 N CB 0.138 38.614 38.487 -0.018 0.000 0.976 62 N HN 0.208 nan 8.380 nan 0.000 0.444 63 D N 0.963 121.352 120.400 -0.020 0.000 2.312 63 D HA 0.059 4.698 4.640 -0.002 0.000 0.211 63 D C 0.873 177.158 176.300 -0.026 0.000 0.964 63 D CA 0.571 54.555 54.000 -0.027 0.000 0.877 63 D CB 0.474 41.254 40.800 -0.033 0.000 0.924 63 D HN 0.269 nan 8.370 nan 0.000 0.515 64 L N -0.526 120.693 121.223 -0.008 0.000 2.256 64 L HA 0.579 4.918 4.340 -0.002 0.000 0.261 64 L C -0.437 176.458 176.870 0.040 0.000 1.022 64 L CA -1.013 53.834 54.840 0.011 0.000 0.828 64 L CB 1.818 43.887 42.059 0.018 0.000 1.374 64 L HN -0.304 nan 8.230 nan 0.000 0.436 65 L N 0.428 121.702 121.223 0.084 0.000 2.409 65 L HA 0.652 4.991 4.340 -0.002 0.000 0.262 65 L C -1.149 175.793 176.870 0.119 0.000 0.992 65 L CA -0.812 54.090 54.840 0.104 0.000 0.817 65 L CB 2.677 44.828 42.059 0.153 0.000 1.350 65 L HN 0.191 nan 8.230 nan 0.000 0.411 66 V N 2.214 122.179 119.914 0.085 0.000 2.495 66 V HA 0.527 4.646 4.120 -0.002 0.000 0.298 66 V C -0.514 175.617 176.094 0.062 0.000 1.031 66 V CA -0.494 61.858 62.300 0.087 0.000 0.871 66 V CB 1.942 33.814 31.823 0.082 0.000 0.988 66 V HN 0.652 nan 8.190 nan 0.000 0.432 67 R N 6.003 126.535 120.500 0.053 0.000 2.409 67 R HA 0.655 4.994 4.340 -0.002 0.000 0.313 67 R C -1.111 175.226 176.300 0.061 0.000 0.953 67 R CA -0.446 55.660 56.100 0.010 0.000 0.849 67 R CB 1.732 31.971 30.300 -0.101 0.000 1.171 67 R HN 0.590 nan 8.270 nan 0.000 0.458 68 I N 0.496 121.116 120.570 0.083 0.000 2.460 68 I HA 0.471 4.640 4.170 -0.002 0.000 0.298 68 I C 1.049 177.234 176.117 0.113 0.000 0.989 68 I CA -0.700 60.675 61.300 0.125 0.000 1.173 68 I CB 1.912 39.998 38.000 0.142 0.000 1.338 68 I HN 0.879 nan 8.210 nan 0.000 0.456 69 G N 3.399 112.282 108.800 0.138 0.000 2.136 69 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.242 69 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.242 69 G C 0.066 175.022 174.900 0.093 0.000 0.989 69 G CA -0.335 44.842 45.100 0.127 0.000 0.682 69 G HN 0.638 nan 8.290 nan 0.000 0.522 70 K N -1.128 119.363 120.400 0.152 0.000 2.118 70 K HA 0.564 4.883 4.320 -0.002 0.000 0.264 70 K C 0.779 177.591 176.600 0.353 0.000 1.000 70 K CA -0.382 56.006 56.287 0.168 0.000 0.929 70 K CB 1.212 33.741 32.500 0.048 0.000 1.021 70 K HN 0.323 nan 8.250 nan 0.000 0.463 71 H N -0.072 119.104 119.070 0.177 0.000 2.179 71 H HA 0.106 4.661 4.556 -0.002 0.000 0.246 71 H C 0.315 175.835 175.328 0.321 0.000 0.904 71 H CA 0.403 56.573 56.048 0.203 0.000 1.113 71 H CB 0.367 30.157 29.762 0.047 0.000 1.396 71 H HN 0.498 nan 8.280 nan 0.000 0.484 72 S N 0.348 116.140 115.700 0.154 0.000 2.576 72 S HA 0.080 4.549 4.470 -0.002 0.000 0.276 72 S C 1.452 175.999 174.600 -0.088 0.000 1.339 72 S CA -0.300 57.930 58.200 0.048 0.000 1.039 72 S CB 1.015 64.227 63.200 0.020 0.000 0.902 72 S HN 0.551 nan 8.310 nan 0.000 0.516 73 R N 1.230 121.654 120.500 -0.126 0.000 2.075 73 R HA -0.041 4.298 4.340 -0.002 0.000 0.226 73 R C 1.982 178.105 176.300 -0.296 0.000 1.114 73 R CA 1.969 57.828 56.100 -0.402 0.000 0.972 73 R CB -0.698 29.526 30.300 -0.128 0.000 0.869 73 R HN 0.877 nan 8.270 nan 0.000 0.437 74 T N -2.136 112.336 114.554 -0.138 0.000 3.034 74 T HA 0.222 4.571 4.350 -0.002 0.000 0.248 74 T C 0.923 175.575 174.700 -0.080 0.000 1.040 74 T CA -0.364 61.683 62.100 -0.089 0.000 1.107 74 T CB 0.060 68.910 68.868 -0.030 0.000 0.932 74 T HN 0.074 nan 8.240 nan 0.000 0.474 75 R N 0.696 121.158 120.500 -0.063 0.000 2.784 75 R HA 0.346 4.685 4.340 -0.002 0.000 0.266 75 R C -0.199 176.095 176.300 -0.009 0.000 1.044 75 R CA -0.412 55.670 56.100 -0.030 0.000 1.151 75 R CB 0.186 30.466 30.300 -0.033 0.000 1.037 75 R HN 0.362 nan 8.270 nan 0.000 0.478 76 Y N 0.272 120.496 120.300 -0.127 0.000 2.612 76 Y HA 0.309 4.858 4.550 -0.001 0.000 0.334 76 Y C 0.338 176.171 175.900 -0.112 0.000 1.227 76 Y CA -0.941 57.073 58.100 -0.143 0.000 1.356 76 Y CB 0.855 39.241 38.460 -0.124 0.000 1.534 76 Y HN 0.564 nan 8.280 nan 0.000 0.576 77 R N -0.882 119.067 120.500 -0.918 0.000 3.643 77 R HA 0.151 4.490 4.340 -0.002 0.000 0.069 77 R C 0.863 176.954 176.300 -0.349 0.000 0.766 77 R CA 0.858 56.499 56.100 -0.766 0.000 2.179 77 R CB -0.681 29.298 30.300 -0.536 0.000 1.514 77 R HN 0.572 nan 8.270 nan 0.000 0.455 78 N N 1.595 120.133 118.700 -0.270 0.000 2.409 78 N HA 0.142 4.881 4.740 -0.002 0.000 0.179 78 N C 1.488 176.904 175.510 -0.157 0.000 1.032 78 N CA 1.397 54.344 53.050 -0.171 0.000 0.898 78 N CB 0.351 38.751 38.487 -0.144 0.000 0.971 78 N HN 0.442 nan 8.380 nan 0.000 0.441 79 I N -1.572 118.867 120.570 -0.219 0.000 3.971 79 I HA 0.201 4.370 4.170 -0.002 0.000 0.303 79 I C 0.319 176.371 176.117 -0.108 0.000 1.233 79 I CA -0.276 60.891 61.300 -0.222 0.000 1.346 79 I CB 0.021 37.706 38.000 -0.525 0.000 1.273 79 I HN -0.062 nan 8.210 nan 0.000 0.448 80 E N 2.957 123.091 120.200 -0.111 0.000 2.345 80 E HA 0.593 4.942 4.350 -0.002 0.000 0.259 80 E C -0.323 176.289 176.600 0.021 0.000 1.117 80 E CA -0.651 55.733 56.400 -0.026 0.000 0.913 80 E CB 0.633 30.319 29.700 -0.025 0.000 1.057 80 E HN 0.286 nan 8.360 nan 0.000 0.432 81 K N 2.258 122.689 120.400 0.051 0.000 2.507 81 K HA 0.421 4.740 4.320 -0.002 0.000 0.251 81 K C -0.868 175.764 176.600 0.053 0.000 0.943 81 K CA -0.647 55.677 56.287 0.061 0.000 0.794 81 K CB 0.885 33.427 32.500 0.071 0.000 1.188 81 K HN 0.553 nan 8.250 nan 0.000 0.428 82 I N 2.426 123.023 120.570 0.045 0.000 2.315 82 I HA 0.385 4.554 4.170 -0.002 0.000 0.291 82 I C 0.012 176.140 176.117 0.018 0.000 1.006 82 I CA -0.745 60.566 61.300 0.018 0.000 1.265 82 I CB 1.732 39.724 38.000 -0.012 0.000 1.387 82 I HN 0.609 nan 8.210 nan 0.000 0.475 83 S N 6.817 122.531 115.700 0.023 0.000 2.566 83 S HA 0.682 5.151 4.470 -0.002 0.000 0.298 83 S C -0.380 174.228 174.600 0.014 0.000 1.083 83 S CA -0.873 57.337 58.200 0.015 0.000 0.978 83 S CB 2.097 65.308 63.200 0.018 0.000 1.073 83 S HN 0.449 nan 8.310 nan 0.000 0.491 84 M N 2.253 121.853 119.600 -0.000 0.000 2.423 84 M HA 0.486 4.965 4.480 -0.002 0.000 0.335 84 M C -0.843 175.447 176.300 -0.016 0.000 1.177 84 M CA -0.602 54.696 55.300 -0.003 0.000 1.038 84 M CB 0.710 33.304 32.600 -0.009 0.000 1.641 84 M HN 0.358 nan 8.290 nan 0.000 0.455 85 L N 1.123 122.338 121.223 -0.013 0.000 2.418 85 L HA 0.240 4.579 4.340 -0.002 0.000 0.265 85 L C 1.123 177.965 176.870 -0.047 0.000 1.143 85 L CA -0.003 54.820 54.840 -0.029 0.000 0.809 85 L CB 0.625 42.677 42.059 -0.012 0.000 1.124 85 L HN 0.877 nan 8.230 nan 0.000 0.456 86 E N 1.003 121.161 120.200 -0.071 0.000 2.256 86 E HA 0.046 4.395 4.350 -0.002 0.000 0.198 86 E C -0.066 176.487 176.600 -0.078 0.000 0.908 86 E CA 0.212 56.568 56.400 -0.074 0.000 0.915 86 E CB 0.797 30.440 29.700 -0.096 0.000 0.890 86 E HN 0.466 nan 8.360 nan 0.000 0.484 87 K N 0.213 120.557 120.400 -0.093 0.000 2.562 87 K HA 0.431 4.750 4.320 -0.002 0.000 0.267 87 K C -1.953 174.553 176.600 -0.157 0.000 0.938 87 K CA -0.445 55.745 56.287 -0.161 0.000 0.840 87 K CB 1.429 33.823 32.500 -0.178 0.000 1.390 87 K HN 0.046 nan 8.250 nan 0.000 0.428 88 I N 3.667 124.084 120.570 -0.255 0.000 2.569 88 I HA 0.447 4.616 4.170 -0.002 0.000 0.296 88 I C -1.104 174.881 176.117 -0.220 0.000 1.028 88 I CA -1.058 60.191 61.300 -0.084 0.000 1.082 88 I CB 1.542 39.534 38.000 -0.014 0.000 1.264 88 I HN 0.538 nan 8.210 nan 0.000 0.429 89 Y N 5.831 126.278 120.300 0.245 0.000 2.338 89 Y HA 0.580 5.130 4.550 -0.001 0.000 0.333 89 Y C -0.222 175.914 175.900 0.394 0.000 0.968 89 Y CA -0.770 57.520 58.100 0.318 0.000 1.123 89 Y CB 1.398 40.070 38.460 0.354 0.000 1.165 89 Y HN 0.249 nan 8.280 nan 0.000 0.452 90 I N 3.051 123.872 120.570 0.418 0.000 2.441 90 I HA 0.197 4.366 4.170 -0.002 0.000 0.295 90 I C 0.185 176.392 176.117 0.149 0.000 0.994 90 I CA -1.021 60.425 61.300 0.244 0.000 1.144 90 I CB 1.286 39.373 38.000 0.144 0.000 1.314 90 I HN 0.646 nan 8.210 nan 0.000 0.445 91 H N 8.252 127.118 119.070 -0.341 0.000 3.157 91 H HA -0.005 4.550 4.556 -0.002 0.000 0.299 91 H C -1.540 173.707 175.328 -0.135 0.000 0.961 91 H CA -0.617 55.045 56.048 -0.644 0.000 1.428 91 H CB 1.165 30.412 29.762 -0.858 0.000 1.459 91 H HN 0.362 nan 8.280 nan 0.000 0.566 92 P HA -0.183 nan 4.420 nan 0.000 0.217 92 P C 0.967 178.290 177.300 0.037 0.000 1.148 92 P CA 1.887 64.936 63.100 -0.084 0.000 0.834 92 P CB 0.075 31.703 31.700 -0.120 0.000 0.783 93 R N -1.117 119.474 120.500 0.152 0.000 2.609 93 R HA 0.123 4.462 4.340 -0.002 0.000 0.326 93 R C 0.175 176.605 176.300 0.218 0.000 1.090 93 R CA -0.656 55.564 56.100 0.201 0.000 1.072 93 R CB -1.988 28.399 30.300 0.145 0.000 1.330 93 R HN 0.250 nan 8.270 nan 0.000 0.572 94 Y N 1.721 122.098 120.300 0.128 0.000 2.569 94 Y HA 0.290 4.839 4.550 -0.002 0.000 0.332 94 Y C -0.114 175.820 175.900 0.056 0.000 1.120 94 Y CA -1.339 56.805 58.100 0.073 0.000 1.416 94 Y CB 0.625 39.153 38.460 0.113 0.000 1.210 94 Y HN 0.301 nan 8.280 nan 0.000 0.528 95 N N 8.591 127.136 118.700 -0.259 0.000 2.645 95 N HA 0.045 4.784 4.740 -0.002 0.000 0.233 95 N C -0.573 174.598 175.510 -0.565 0.000 1.058 95 N CA -0.783 51.992 53.050 -0.460 0.000 0.942 95 N CB -0.139 38.189 38.487 -0.264 0.000 1.210 95 N HN 0.809 nan 8.380 nan 0.000 0.512 96 W N 4.737 125.561 121.300 -0.794 0.000 2.237 96 W HA 0.229 4.888 4.660 -0.001 0.000 0.420 96 W C 0.565 176.909 176.519 -0.293 0.000 0.635 96 W CA -0.576 56.432 57.345 -0.562 0.000 2.255 96 W CB -0.752 28.367 29.460 -0.568 0.000 1.432 96 W HN 0.572 nan 8.180 nan 0.000 0.643 97 E N 1.945 121.964 120.200 -0.301 0.000 2.147 97 E HA -0.344 4.005 4.350 -0.002 0.000 0.199 97 E C 1.168 177.595 176.600 -0.288 0.000 1.005 97 E CA 2.327 58.577 56.400 -0.251 0.000 0.810 97 E CB -0.356 29.211 29.700 -0.223 0.000 0.736 97 E HN 0.368 nan 8.360 nan 0.000 0.460 98 N N -0.140 118.381 118.700 -0.299 0.000 2.082 98 N HA 0.071 4.810 4.740 -0.002 0.000 0.228 98 N C 0.362 175.632 175.510 -0.400 0.000 1.341 98 N CA 0.242 53.050 53.050 -0.403 0.000 0.873 98 N CB 0.335 38.633 38.487 -0.315 0.000 1.137 98 N HN 0.260 nan 8.380 nan 0.000 0.505 99 L N 0.269 121.362 121.223 -0.217 0.000 4.140 99 L HA -0.214 4.125 4.340 -0.002 0.000 0.406 99 L C -0.687 176.257 176.870 0.123 0.000 1.175 99 L CA 0.565 55.405 54.840 -0.000 0.000 0.939 99 L CB -1.682 40.364 42.059 -0.022 0.000 2.105 99 L HN 0.227 nan 8.230 nan 0.000 0.803 100 D N 1.247 121.669 120.400 0.036 0.000 2.455 100 D HA 0.228 4.867 4.640 -0.002 0.000 0.241 100 D C 0.936 177.317 176.300 0.134 0.000 1.138 100 D CA 0.538 54.584 54.000 0.076 0.000 0.877 100 D CB 0.436 41.238 40.800 0.004 0.000 1.187 100 D HN 0.211 nan 8.370 nan 0.000 0.451 101 R N 1.543 122.095 120.500 0.086 0.000 3.423 101 R HA -0.198 4.141 4.340 -0.002 0.000 0.271 101 R C -0.700 175.642 176.300 0.071 0.000 1.093 101 R CA 0.519 56.604 56.100 -0.024 0.000 0.730 101 R CB -1.834 28.308 30.300 -0.263 0.000 1.190 101 R HN 0.444 nan 8.270 nan 0.000 0.437 102 D N 1.417 121.909 120.400 0.154 0.000 2.597 102 D HA 0.225 4.864 4.640 -0.002 0.000 0.228 102 D C -0.062 176.225 176.300 -0.021 0.000 1.120 102 D CA 0.359 54.409 54.000 0.084 0.000 1.083 102 D CB 0.019 40.982 40.800 0.272 0.000 1.116 102 D HN 0.408 nan 8.370 nan 0.000 0.487 103 I N 0.580 121.076 120.570 -0.124 0.000 2.934 103 I HA 0.721 4.890 4.170 -0.002 0.000 0.306 103 I C -1.614 174.486 176.117 -0.029 0.000 1.110 103 I CA -0.782 60.498 61.300 -0.034 0.000 1.019 103 I CB 1.859 39.857 38.000 -0.004 0.000 1.227 103 I HN 0.223 nan 8.210 nan 0.000 0.434 104 A N 6.621 129.546 122.820 0.175 0.000 2.577 104 A HA 0.672 4.991 4.320 -0.002 0.000 0.297 104 A C -2.102 175.730 177.584 0.414 0.000 1.060 104 A CA -0.472 51.751 52.037 0.310 0.000 0.697 104 A CB 1.326 20.410 19.000 0.140 0.000 1.281 104 A HN 0.607 nan 8.150 nan 0.000 0.402 105 L N 1.683 123.232 121.223 0.543 0.000 2.334 105 L HA 0.739 5.078 4.340 -0.002 0.000 0.273 105 L C -0.313 176.877 176.870 0.534 0.000 1.013 105 L CA -0.439 54.682 54.840 0.468 0.000 0.816 105 L CB 2.011 44.245 42.059 0.291 0.000 1.278 105 L HN 0.781 nan 8.230 nan 0.000 0.431 106 M N 3.034 122.915 119.600 0.469 0.000 2.327 106 M HA 0.376 4.855 4.480 -0.002 0.000 0.298 106 M C -0.832 175.551 176.300 0.140 0.000 1.065 106 M CA -0.515 54.967 55.300 0.304 0.000 0.916 106 M CB 2.522 35.231 32.600 0.181 0.000 1.630 106 M HN 0.349 nan 8.290 nan 0.000 0.442 107 K N 4.163 124.507 120.400 -0.094 0.000 2.234 107 K HA 0.549 4.868 4.320 -0.002 0.000 0.277 107 K C -1.026 175.390 176.600 -0.307 0.000 1.038 107 K CA -0.424 55.532 56.287 -0.551 0.000 0.888 107 K CB 0.867 32.929 32.500 -0.729 0.000 1.091 107 K HN 0.721 nan 8.250 nan 0.000 0.467 108 L N 4.251 125.291 121.223 -0.305 0.000 2.464 108 L HA 0.117 4.456 4.340 -0.002 0.000 0.264 108 L C 1.573 178.346 176.870 -0.160 0.000 1.199 108 L CA -0.114 54.628 54.840 -0.162 0.000 0.818 108 L CB 0.578 42.577 42.059 -0.100 0.000 1.102 108 L HN 0.716 nan 8.230 nan 0.000 0.473 109 K N 0.824 121.165 120.400 -0.097 0.000 2.155 109 K HA 0.015 4.334 4.320 -0.002 0.000 0.203 109 K C -0.174 176.380 176.600 -0.076 0.000 1.052 109 K CA 1.185 57.423 56.287 -0.081 0.000 0.948 109 K CB 0.216 32.684 32.500 -0.053 0.000 0.728 109 K HN 0.492 nan 8.250 nan 0.000 0.448 110 K N 0.577 120.934 120.400 -0.072 0.000 2.543 110 K HA 0.262 4.581 4.320 -0.002 0.000 0.255 110 K C -2.873 173.686 176.600 -0.068 0.000 0.934 110 K CA -1.925 54.324 56.287 -0.065 0.000 0.810 110 K CB 2.122 34.595 32.500 -0.045 0.000 1.315 110 K HN -0.198 nan 8.250 nan 0.000 0.433 111 P HA -0.051 nan 4.420 nan 0.000 0.266 111 P C -0.082 177.167 177.300 -0.085 0.000 1.195 111 P CA -0.407 62.636 63.100 -0.095 0.000 0.768 111 P CB 0.402 32.027 31.700 -0.125 0.000 0.838 112 V N -0.100 119.773 119.914 -0.068 0.000 3.036 112 V HA 0.734 4.853 4.120 -0.002 0.000 0.308 112 V C 0.096 176.121 176.094 -0.114 0.000 1.070 112 V CA -1.097 61.189 62.300 -0.023 0.000 1.056 112 V CB 0.776 32.650 31.823 0.085 0.000 1.084 112 V HN 0.637 nan 8.190 nan 0.000 0.471 113 A N 2.984 125.785 122.820 -0.032 0.000 2.260 113 A HA 0.723 5.042 4.320 -0.002 0.000 0.308 113 A C -0.315 177.346 177.584 0.129 0.000 1.254 113 A CA -0.475 51.528 52.037 -0.056 0.000 0.874 113 A CB -0.192 18.806 19.000 -0.002 0.000 1.153 113 A HN 0.652 nan 8.150 nan 0.000 0.527 114 F N 1.828 121.820 119.950 0.070 0.000 2.539 114 F HA 0.380 4.906 4.527 -0.002 0.000 0.340 114 F C 1.451 177.308 175.800 0.094 0.000 1.185 114 F CA 0.480 58.540 58.000 0.100 0.000 1.333 114 F CB 0.557 39.633 39.000 0.128 0.000 1.152 114 F HN 0.796 nan 8.300 nan 0.000 0.602 115 S N -0.476 115.410 115.700 0.310 0.000 2.873 115 S HA 0.341 4.810 4.470 -0.002 0.000 0.303 115 S C -0.103 174.505 174.600 0.012 0.000 1.222 115 S CA -0.685 57.606 58.200 0.152 0.000 0.923 115 S CB 1.174 64.476 63.200 0.170 0.000 1.286 115 S HN 0.312 nan 8.310 nan 0.000 0.571 116 D N -0.177 120.128 120.400 -0.158 0.000 2.347 116 D HA 0.208 4.847 4.640 -0.002 0.000 0.213 116 D C 0.289 176.215 176.300 -0.623 0.000 0.985 116 D CA 0.963 54.687 54.000 -0.460 0.000 0.879 116 D CB -0.180 40.196 40.800 -0.707 0.000 0.919 116 D HN 0.525 nan 8.370 nan 0.000 0.526 117 Y N -0.542 119.744 120.300 -0.022 0.000 2.500 117 Y HA 0.385 4.934 4.550 -0.001 0.000 0.246 117 Y C 0.474 176.367 175.900 -0.011 0.000 1.146 117 Y CA -0.256 57.822 58.100 -0.036 0.000 1.230 117 Y CB 1.073 39.521 38.460 -0.020 0.000 1.214 117 Y HN -0.207 nan 8.280 nan 0.000 0.526 118 I N 0.361 121.017 120.570 0.144 0.000 2.497 118 I HA 0.322 4.491 4.170 -0.002 0.000 0.284 118 I C -1.318 174.841 176.117 0.070 0.000 1.060 118 I CA -0.513 60.873 61.300 0.144 0.000 1.071 118 I CB 1.571 39.715 38.000 0.239 0.000 1.216 118 I HN 0.001 nan 8.210 nan 0.000 0.442 119 H N 7.098 126.057 119.070 -0.186 0.000 3.038 119 H HA 0.513 5.068 4.556 -0.002 0.000 0.362 119 H C -2.939 172.274 175.328 -0.193 0.000 1.167 119 H CA -1.319 54.490 56.048 -0.397 0.000 1.197 119 H CB 3.191 32.833 29.762 -0.199 0.000 1.840 119 H HN 0.182 nan 8.280 nan 0.000 0.540 120 P HA 0.138 nan 4.420 nan 0.000 0.277 120 P C -0.724 176.512 177.300 -0.107 0.000 1.240 120 P CA -0.365 62.558 63.100 -0.294 0.000 0.798 120 P CB 1.492 32.977 31.700 -0.359 0.000 0.979 121 V N 2.488 122.307 119.914 -0.158 0.000 2.973 121 V HA 0.333 4.452 4.120 -0.002 0.000 0.314 121 V C -0.248 175.638 176.094 -0.346 0.000 1.066 121 V CA -0.444 61.532 62.300 -0.540 0.000 1.021 121 V CB 1.350 32.574 31.823 -0.998 0.000 1.076 121 V HN 0.674 nan 8.190 nan 0.000 0.462 122 C N 4.546 123.605 119.300 -0.402 0.000 2.351 122 C HA 0.570 5.029 4.460 -0.002 0.000 0.359 122 C C 0.073 175.011 174.990 -0.087 0.000 1.193 122 C CA -0.883 57.973 59.018 -0.269 0.000 2.270 122 C CB 0.479 27.916 27.740 -0.505 0.000 2.369 122 C HN 0.744 nan 8.230 nan 0.000 0.553 123 L N 3.595 124.849 121.223 0.052 0.000 2.322 123 L HA 0.429 4.768 4.340 -0.002 0.000 0.279 123 L C -1.909 175.141 176.870 0.300 0.000 1.036 123 L CA -1.300 53.633 54.840 0.155 0.000 0.807 123 L CB 1.397 43.520 42.059 0.106 0.000 1.226 123 L HN 0.478 nan 8.230 nan 0.000 0.433 124 P HA 0.157 nan 4.420 nan 0.000 0.274 124 P C -1.621 175.834 177.300 0.258 0.000 1.231 124 P CA -0.441 62.788 63.100 0.216 0.000 0.790 124 P CB 0.763 32.516 31.700 0.088 0.000 0.951 125 D N 0.211 120.656 120.400 0.074 0.000 2.326 125 D HA 0.213 4.852 4.640 -0.002 0.000 0.248 125 D C 1.132 177.338 176.300 -0.156 0.000 1.001 125 D CA -1.019 53.060 54.000 0.133 0.000 0.961 125 D CB 1.063 41.904 40.800 0.068 0.000 1.183 125 D HN 0.272 nan 8.370 nan 0.000 0.502 126 R N -0.051 120.434 120.500 -0.025 0.000 2.140 126 R HA -0.292 4.047 4.340 -0.002 0.000 0.250 126 R C 2.108 178.210 176.300 -0.329 0.000 1.150 126 R CA 2.870 58.820 56.100 -0.251 0.000 0.966 126 R CB -0.501 29.860 30.300 0.102 0.000 0.869 126 R HN 0.694 nan 8.270 nan 0.000 0.445 127 E N -0.030 120.047 120.200 -0.205 0.000 2.046 127 E HA -0.049 4.300 4.350 -0.002 0.000 0.190 127 E C 0.915 177.362 176.600 -0.255 0.000 0.982 127 E CA 1.282 57.569 56.400 -0.189 0.000 0.800 127 E CB -0.945 28.683 29.700 -0.121 0.000 0.756 127 E HN 0.441 nan 8.360 nan 0.000 0.449 128 T N 1.022 115.387 114.554 -0.315 0.000 2.792 128 T HA 0.345 4.694 4.350 -0.002 0.000 0.286 128 T C 0.974 175.440 174.700 -0.391 0.000 0.970 128 T CA 0.983 62.838 62.100 -0.408 0.000 1.187 128 T CB 0.040 68.519 68.868 -0.649 0.000 0.915 128 T HN 0.520 nan 8.240 nan 0.000 0.529 129 L N 1.434 122.612 121.223 -0.074 0.000 1.975 129 L HA -0.142 4.197 4.340 -0.002 0.000 0.492 129 L C 0.745 177.649 176.870 0.057 0.000 0.724 129 L CA 0.377 55.210 54.840 -0.012 0.000 3.076 129 L CB -0.958 41.023 42.059 -0.131 0.000 0.784 129 L HN 0.493 nan 8.230 nan 0.000 0.730 130 L N 2.921 124.079 121.223 -0.107 0.000 2.376 130 L HA 0.124 4.463 4.340 -0.002 0.000 0.250 130 L C 0.145 176.892 176.870 -0.205 0.000 1.335 130 L CA 0.737 55.448 54.840 -0.214 0.000 1.214 130 L CB -0.060 41.804 42.059 -0.326 0.000 1.395 130 L HN 0.226 nan 8.230 nan 0.000 0.424 131 Q N 1.661 121.333 119.800 -0.212 0.000 2.323 131 Q HA 0.504 4.843 4.340 -0.002 0.000 0.271 131 Q C -0.198 175.526 176.000 -0.460 0.000 1.048 131 Q CA -0.831 54.726 55.803 -0.411 0.000 0.792 131 Q CB 2.566 30.893 28.738 -0.685 0.000 1.280 131 Q HN 0.533 nan 8.270 nan 0.000 0.441 132 A N 1.184 123.804 122.820 -0.333 0.000 2.591 132 A HA 0.322 4.641 4.320 -0.002 0.000 0.244 132 A C 1.257 178.679 177.584 -0.270 0.000 1.031 132 A CA 1.467 53.354 52.037 -0.251 0.000 0.767 132 A CB -0.651 18.232 19.000 -0.195 0.000 0.942 132 A HN 1.115 nan 8.150 nan 0.000 0.514 133 G N 1.020 109.730 108.800 -0.150 0.000 2.284 133 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.216 133 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.216 133 G C 0.108 175.062 174.900 0.091 0.000 1.009 133 G CA 0.183 45.245 45.100 -0.063 0.000 0.625 133 G HN 0.773 nan 8.290 nan 0.000 0.501 134 Y N 1.903 122.173 120.300 -0.050 0.000 2.336 134 Y HA 0.587 5.136 4.550 -0.002 0.000 0.331 134 Y C 1.121 177.012 175.900 -0.016 0.000 1.211 134 Y CA -0.872 57.204 58.100 -0.040 0.000 1.346 134 Y CB 0.644 39.068 38.460 -0.060 0.000 1.271 134 Y HN 0.108 nan 8.280 nan 0.000 0.538 135 K N 1.343 121.824 120.400 0.135 0.000 2.130 135 K HA 0.648 4.967 4.320 -0.002 0.000 0.268 135 K C 0.222 176.831 176.600 0.015 0.000 0.983 135 K CA -0.580 55.748 56.287 0.068 0.000 0.893 135 K CB 1.487 34.007 32.500 0.033 0.000 1.066 135 K HN 0.856 nan 8.250 nan 0.000 0.450 136 G N 1.170 109.923 108.800 -0.079 0.000 2.685 136 G HA2 0.518 4.477 3.960 -0.002 0.000 0.298 136 G HA3 0.518 4.477 3.960 -0.002 0.000 0.298 136 G C -1.344 173.196 174.900 -0.600 0.000 1.277 136 G CA -0.646 44.083 45.100 -0.618 0.000 0.986 136 G HN 0.527 nan 8.290 nan 0.000 0.487 137 R N -0.569 119.548 120.500 -0.639 0.000 2.637 137 R HA 0.677 5.016 4.340 -0.002 0.000 0.291 137 R C -1.390 174.741 176.300 -0.282 0.000 0.963 137 R CA -0.458 55.466 56.100 -0.292 0.000 0.901 137 R CB 2.073 32.325 30.300 -0.080 0.000 1.160 137 R HN 0.337 nan 8.270 nan 0.000 0.457 138 V N 2.188 122.046 119.914 -0.093 0.000 2.769 138 V HA 0.582 4.701 4.120 -0.002 0.000 0.312 138 V C -0.436 175.657 176.094 -0.002 0.000 1.061 138 V CA -0.756 61.561 62.300 0.028 0.000 0.931 138 V CB 1.988 33.918 31.823 0.178 0.000 1.010 138 V HN 1.023 nan 8.190 nan 0.000 0.433 139 T N -0.193 114.358 114.554 -0.004 0.000 2.903 139 T HA 0.954 5.303 4.350 -0.002 0.000 0.299 139 T C -0.235 174.376 174.700 -0.148 0.000 1.093 139 T CA -0.322 61.709 62.100 -0.115 0.000 1.002 139 T CB 2.070 70.823 68.868 -0.193 0.000 1.127 139 T HN 1.602 nan 8.240 nan 0.000 0.488 140 G N -0.155 108.465 108.800 -0.300 0.000 2.325 140 G HA2 0.389 4.348 3.960 -0.002 0.000 0.297 140 G HA3 0.389 4.348 3.960 -0.002 0.000 0.297 140 G C -1.172 173.527 174.900 -0.336 0.000 1.448 140 G CA -0.875 44.044 45.100 -0.300 0.000 0.838 140 G HN 0.677 nan 8.290 nan 0.000 0.579 141 W N 1.081 122.394 121.300 0.022 0.000 3.223 141 W HA 0.369 5.028 4.660 -0.002 0.000 0.389 141 W C 1.154 177.686 176.519 0.022 0.000 1.118 141 W CA -0.122 57.227 57.345 0.005 0.000 1.902 141 W CB 0.697 30.162 29.460 0.008 0.000 1.094 141 W HN 0.811 nan 8.180 nan 0.000 0.666 142 G N 1.498 110.411 108.800 0.189 0.000 2.683 142 G HA2 -0.030 3.929 3.960 -0.002 0.000 0.260 142 G HA3 -0.030 3.929 3.960 -0.002 0.000 0.260 142 G C 0.312 175.277 174.900 0.108 0.000 1.238 142 G CA -0.493 44.700 45.100 0.155 0.000 0.934 142 G HN -0.083 nan 8.290 nan 0.000 0.534 143 N N -0.492 118.282 118.700 0.123 0.000 2.356 143 N HA -0.033 4.706 4.740 -0.002 0.000 0.252 143 N C 1.298 176.834 175.510 0.045 0.000 1.241 143 N CA 0.036 53.145 53.050 0.099 0.000 0.861 143 N CB 1.062 39.703 38.487 0.256 0.000 1.075 143 N HN 0.348 nan 8.380 nan 0.000 0.461 144 L N 0.592 121.776 121.223 -0.066 0.000 2.509 144 L HA 0.136 4.475 4.340 -0.002 0.000 0.222 144 L C 0.802 177.668 176.870 -0.007 0.000 1.123 144 L CA 0.597 55.400 54.840 -0.061 0.000 0.856 144 L CB -0.018 41.956 42.059 -0.142 0.000 0.985 144 L HN 0.442 nan 8.230 nan 0.000 0.456 145 K N -0.518 119.919 120.400 0.061 0.000 2.546 145 K HA 0.094 4.413 4.320 -0.002 0.000 0.264 145 K C 0.544 177.331 176.600 0.312 0.000 0.937 145 K CA -0.437 55.953 56.287 0.172 0.000 0.833 145 K CB 2.126 34.728 32.500 0.170 0.000 1.378 145 K HN -0.124 nan 8.250 nan 0.000 0.432 146 E N 0.746 121.077 120.200 0.217 0.000 2.070 146 E HA -0.141 4.208 4.350 -0.002 0.000 0.197 146 E C -0.173 176.546 176.600 0.198 0.000 1.004 146 E CA 1.403 57.913 56.400 0.184 0.000 0.805 146 E CB 0.274 30.039 29.700 0.108 0.000 0.744 146 E HN 0.459 nan 8.360 nan 0.000 0.451 147 T N -2.091 112.593 114.554 0.217 0.000 2.841 147 T HA 0.496 4.845 4.350 -0.002 0.000 0.296 147 T C -1.769 173.095 174.700 0.274 0.000 1.166 147 T CA -0.242 61.897 62.100 0.066 0.000 1.007 147 T CB 1.110 69.961 68.868 -0.027 0.000 1.253 147 T HN 0.463 nan 8.240 nan 0.000 0.511 148 W N -0.280 121.031 121.300 0.020 0.000 4.126 148 W HA 0.510 5.169 4.660 -0.001 0.000 0.348 148 W C -1.141 175.387 176.519 0.016 0.000 3.319 148 W CA -0.450 56.906 57.345 0.018 0.000 1.324 148 W CB -0.233 29.239 29.460 0.020 0.000 1.883 148 W HN 0.453 nan 8.180 nan 0.000 0.473 149 K N 2.036 122.346 120.400 -0.150 0.000 2.382 149 K HA 0.353 4.672 4.320 -0.002 0.000 0.286 149 K C 0.990 177.316 176.600 -0.457 0.000 1.062 149 K CA 0.584 56.759 56.287 -0.186 0.000 1.000 149 K CB 0.103 32.555 32.500 -0.080 0.000 0.954 149 K HN 0.721 nan 8.250 nan 0.000 0.470 150 G N 2.451 110.728 108.800 -0.871 0.000 2.516 150 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.221 150 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.221 150 G C 0.305 174.822 174.900 -0.638 0.000 1.107 150 G CA 0.780 44.951 45.100 -1.549 0.000 0.747 150 G HN 0.611 nan 8.290 nan 0.000 0.567 151 Q N 0.328 119.958 119.800 -0.285 0.000 2.309 151 Q HA 0.464 4.803 4.340 -0.002 0.000 0.264 151 Q C -2.366 173.592 176.000 -0.069 0.000 1.008 151 Q CA -2.122 53.618 55.803 -0.105 0.000 0.853 151 Q CB 2.286 31.030 28.738 0.009 0.000 1.314 151 Q HN 0.037 nan 8.270 nan 0.000 0.448 152 P HA 0.136 nan 4.420 nan 0.000 0.274 152 P C -0.343 176.983 177.300 0.043 0.000 1.256 152 P CA -0.261 62.839 63.100 0.001 0.000 0.795 152 P CB 1.039 32.747 31.700 0.013 0.000 1.038 153 S N -0.665 115.050 115.700 0.024 0.000 2.388 153 S HA 0.073 4.542 4.470 -0.002 0.000 0.223 153 S C 1.058 175.686 174.600 0.048 0.000 1.034 153 S CA 0.565 58.781 58.200 0.027 0.000 0.963 153 S CB -0.385 62.823 63.200 0.013 0.000 0.827 153 S HN 0.574 nan 8.310 nan 0.000 0.481 154 V N -0.331 119.589 119.914 0.009 0.000 3.046 154 V HA 0.689 4.808 4.120 -0.002 0.000 0.316 154 V C -0.301 175.725 176.094 -0.114 0.000 1.104 154 V CA -1.589 60.643 62.300 -0.113 0.000 1.006 154 V CB 1.138 32.734 31.823 -0.378 0.000 1.058 154 V HN 0.188 nan 8.190 nan 0.000 0.440 155 L N 2.833 123.883 121.223 -0.288 0.000 2.578 155 L HA 0.219 4.558 4.340 -0.002 0.000 0.279 155 L C 0.259 176.896 176.870 -0.388 0.000 1.227 155 L CA 1.175 55.639 54.840 -0.627 0.000 0.900 155 L CB -0.061 41.599 42.059 -0.664 0.000 1.144 155 L HN 0.828 nan 8.230 nan 0.000 0.496 156 Q N 4.051 123.640 119.800 -0.352 0.000 2.235 156 Q HA 0.555 4.894 4.340 -0.002 0.000 0.256 156 Q C -0.893 175.003 176.000 -0.173 0.000 0.951 156 Q CA -0.430 55.258 55.803 -0.192 0.000 0.890 156 Q CB 2.181 30.849 28.738 -0.116 0.000 1.279 156 Q HN 0.583 nan 8.270 nan 0.000 0.444 157 V N 1.490 121.340 119.914 -0.105 0.000 2.789 157 V HA 0.794 4.913 4.120 -0.002 0.000 0.311 157 V C -1.458 174.620 176.094 -0.027 0.000 1.073 157 V CA -0.660 61.592 62.300 -0.081 0.000 0.921 157 V CB 2.256 34.021 31.823 -0.096 0.000 1.009 157 V HN 0.526 nan 8.190 nan 0.000 0.426 158 V N 5.560 125.471 119.914 -0.005 0.000 2.932 158 V HA 0.670 4.789 4.120 -0.002 0.000 0.307 158 V C -1.356 174.758 176.094 0.033 0.000 1.147 158 V CA -0.659 61.664 62.300 0.039 0.000 0.951 158 V CB 2.686 34.552 31.823 0.072 0.000 1.031 158 V HN 1.009 nan 8.190 nan 0.000 0.426 159 N N 6.195 124.934 118.700 0.066 0.000 2.446 159 N HA 0.669 5.408 4.740 -0.002 0.000 0.265 159 N C -1.073 174.480 175.510 0.071 0.000 0.975 159 N CA -0.150 52.927 53.050 0.045 0.000 0.928 159 N CB 1.609 40.138 38.487 0.069 0.000 1.160 159 N HN 0.562 nan 8.380 nan 0.000 0.495 160 L N 2.493 123.719 121.223 0.005 0.000 2.323 160 L HA 0.710 5.049 4.340 -0.002 0.000 0.265 160 L C -2.311 174.520 176.870 -0.065 0.000 1.012 160 L CA -1.966 52.822 54.840 -0.086 0.000 0.820 160 L CB 2.700 44.789 42.059 0.050 0.000 1.334 160 L HN 0.246 nan 8.230 nan 0.000 0.427 161 P HA 0.410 nan 4.420 nan 0.000 0.290 161 P C -0.860 176.416 177.300 -0.039 0.000 1.283 161 P CA -0.546 62.497 63.100 -0.094 0.000 0.869 161 P CB 1.487 33.081 31.700 -0.177 0.000 1.100 162 I N 0.920 121.483 120.570 -0.011 0.000 2.519 162 I HA 0.180 4.349 4.170 -0.002 0.000 0.287 162 I C 0.457 176.492 176.117 -0.137 0.000 1.047 162 I CA -0.485 60.770 61.300 -0.074 0.000 1.381 162 I CB 0.874 38.795 38.000 -0.130 0.000 1.417 162 I HN -0.011 nan 8.210 nan 0.000 0.540 163 V N 4.888 124.688 119.914 -0.191 0.000 2.630 163 V HA 0.206 4.325 4.120 -0.002 0.000 0.305 163 V C -0.250 175.710 176.094 -0.223 0.000 1.046 163 V CA -0.864 61.276 62.300 -0.268 0.000 0.934 163 V CB 1.789 33.303 31.823 -0.514 0.000 1.003 163 V HN 0.637 nan 8.190 nan 0.000 0.451 164 E N 2.919 123.003 120.200 -0.193 0.000 2.415 164 E HA 0.138 4.487 4.350 -0.002 0.000 0.263 164 E C 1.118 177.645 176.600 -0.121 0.000 0.995 164 E CA 0.040 56.358 56.400 -0.138 0.000 0.915 164 E CB 0.229 29.866 29.700 -0.105 0.000 0.951 164 E HN 0.375 nan 8.360 nan 0.000 0.449 165 R N 3.965 124.420 120.500 -0.076 0.000 2.134 165 R HA -0.202 4.137 4.340 -0.002 0.000 0.248 165 R C -0.807 175.485 176.300 -0.013 0.000 1.143 165 R CA 1.888 57.970 56.100 -0.030 0.000 0.957 165 R CB -1.610 28.695 30.300 0.009 0.000 0.867 165 R HN 0.517 nan 8.270 nan 0.000 0.441 166 P HA -0.118 nan 4.420 nan 0.000 0.215 166 P C 1.697 178.996 177.300 -0.002 0.000 1.157 166 P CA 1.169 64.269 63.100 -0.000 0.000 0.868 166 P CB -0.180 31.516 31.700 -0.007 0.000 0.788 167 V N 0.044 119.929 119.914 -0.047 0.000 2.287 167 V HA -0.294 3.825 4.120 -0.002 0.000 0.248 167 V C 2.800 178.859 176.094 -0.058 0.000 1.053 167 V CA 2.211 64.473 62.300 -0.064 0.000 1.027 167 V CB -1.635 30.092 31.823 -0.159 0.000 0.646 167 V HN 0.178 nan 8.190 nan 0.000 0.447 168 c N 0.261 118.789 118.600 -0.121 0.000 2.413 168 c HA -0.185 4.384 4.570 -0.002 0.000 0.277 168 c C 3.209 177.435 174.090 0.226 0.000 1.228 168 c CA 1.619 57.936 56.329 -0.020 0.000 1.731 168 c CB -1.404 41.028 42.510 -0.130 0.000 2.042 168 c HN 0.671 nan 8.230 nan 0.000 0.468 169 K N 0.404 120.906 120.400 0.170 0.000 2.103 169 K HA -0.199 4.120 4.320 -0.002 0.000 0.207 169 K C 1.290 177.982 176.600 0.154 0.000 1.048 169 K CA 2.170 58.564 56.287 0.179 0.000 0.930 169 K CB -0.889 31.684 32.500 0.121 0.000 0.716 169 K HN 0.590 nan 8.250 nan 0.000 0.444 170 D N 0.019 120.495 120.400 0.125 0.000 2.323 170 D HA -0.003 4.636 4.640 -0.002 0.000 0.239 170 D C 1.229 177.619 176.300 0.150 0.000 1.129 170 D CA 1.176 55.245 54.000 0.115 0.000 0.865 170 D CB 0.357 41.209 40.800 0.086 0.000 0.913 170 D HN 0.602 nan 8.370 nan 0.000 0.517 171 S N -2.054 113.771 115.700 0.210 0.000 2.632 171 S HA 0.102 4.570 4.470 -0.002 0.000 0.237 171 S C 0.730 175.460 174.600 0.218 0.000 1.037 171 S CA -0.397 57.949 58.200 0.243 0.000 1.009 171 S CB 1.027 64.456 63.200 0.381 0.000 0.974 171 S HN 0.027 nan 8.310 nan 0.000 0.544 172 T N 0.329 115.003 114.554 0.200 0.000 2.893 172 T HA 0.598 4.947 4.350 -0.002 0.000 0.293 172 T C 0.703 175.456 174.700 0.087 0.000 1.027 172 T CA 0.010 62.201 62.100 0.151 0.000 0.988 172 T CB 1.802 70.774 68.868 0.173 0.000 1.043 172 T HN 0.278 nan 8.240 nan 0.000 0.461 173 R N 3.556 124.084 120.500 0.046 0.000 2.323 173 R HA 0.395 4.734 4.340 -0.002 0.000 0.198 173 R C 1.065 177.348 176.300 -0.028 0.000 0.988 173 R CA 0.559 56.666 56.100 0.012 0.000 1.041 173 R CB -1.092 29.208 30.300 0.000 0.000 0.926 173 R HN 0.774 nan 8.270 nan 0.000 0.476 174 I N 0.479 121.016 120.570 -0.054 0.000 2.720 174 I HA 0.171 4.340 4.170 -0.002 0.000 0.287 174 I C 0.808 176.868 176.117 -0.095 0.000 1.090 174 I CA -0.580 60.624 61.300 -0.160 0.000 1.384 174 I CB 1.281 39.038 38.000 -0.405 0.000 1.420 174 I HN 0.226 nan 8.210 nan 0.000 0.575 175 R N 6.359 126.782 120.500 -0.129 0.000 2.419 175 R HA 0.285 4.624 4.340 -0.002 0.000 0.305 175 R C -0.104 176.189 176.300 -0.011 0.000 1.242 175 R CA -0.381 55.685 56.100 -0.056 0.000 1.105 175 R CB -0.086 30.173 30.300 -0.068 0.000 1.116 175 R HN 0.600 nan 8.270 nan 0.000 0.523 176 I N 1.415 122.039 120.570 0.091 0.000 2.696 176 I HA 0.293 4.462 4.170 -0.002 0.000 0.284 176 I C 0.013 176.231 176.117 0.169 0.000 1.129 176 I CA -0.227 61.202 61.300 0.216 0.000 1.410 176 I CB 1.438 39.687 38.000 0.415 0.000 1.399 176 I HN 0.520 nan 8.210 nan 0.000 0.579 177 T N 0.584 115.253 114.554 0.192 0.000 2.807 177 T HA 0.344 4.693 4.350 -0.002 0.000 0.277 177 T C 0.412 175.197 174.700 0.143 0.000 1.006 177 T CA -0.519 61.658 62.100 0.128 0.000 1.006 177 T CB 1.497 70.416 68.868 0.084 0.000 1.274 177 T HN 0.624 nan 8.240 nan 0.000 0.569 178 D N 0.440 120.891 120.400 0.085 0.000 2.378 178 D HA 0.052 4.691 4.640 -0.002 0.000 0.222 178 D C 0.813 177.142 176.300 0.048 0.000 0.980 178 D CA 0.559 54.593 54.000 0.056 0.000 0.907 178 D CB -0.136 40.667 40.800 0.005 0.000 0.899 178 D HN 0.423 nan 8.370 nan 0.000 0.527 179 N N -0.155 118.605 118.700 0.100 0.000 2.276 179 N HA 0.131 4.870 4.740 -0.002 0.000 0.212 179 N C 0.047 175.727 175.510 0.282 0.000 1.127 179 N CA 0.152 53.285 53.050 0.139 0.000 0.834 179 N CB 0.538 39.069 38.487 0.074 0.000 1.014 179 N HN 0.256 nan 8.380 nan 0.000 0.491 180 M N 0.104 119.900 119.600 0.327 0.000 2.658 180 M HA 0.543 5.022 4.480 -0.002 0.000 0.295 180 M C -1.203 175.323 176.300 0.376 0.000 1.248 180 M CA -1.079 54.431 55.300 0.351 0.000 0.843 180 M CB 2.684 35.554 32.600 0.450 0.000 1.749 180 M HN -0.030 nan 8.290 nan 0.000 0.464 181 F N 0.045 120.038 119.950 0.071 0.000 2.719 181 F HA 0.788 5.315 4.527 -0.001 0.000 0.309 181 F C -1.508 174.065 175.800 -0.379 0.000 1.138 181 F CA -1.498 56.420 58.000 -0.136 0.000 0.943 181 F CB 0.694 39.611 39.000 -0.139 0.000 1.304 181 F HN 0.907 nan 8.300 nan 0.000 0.445 182 c N 2.203 120.613 118.600 -0.316 0.000 2.848 182 c HA 1.050 5.619 4.570 -0.002 0.000 0.317 182 c C -0.631 173.316 174.090 -0.239 0.000 1.260 182 c CA 0.053 56.040 56.329 -0.570 0.000 1.656 182 c CB 0.873 42.692 42.510 -1.152 0.000 2.174 182 c HN 1.830 nan 8.230 nan 0.000 0.479 183 A N 1.157 123.894 122.820 -0.138 0.000 2.520 183 A HA 0.745 5.064 4.320 -0.002 0.000 0.298 183 A C -1.468 176.201 177.584 0.141 0.000 1.051 183 A CA -0.497 51.523 52.037 -0.029 0.000 0.690 183 A CB 0.602 19.562 19.000 -0.067 0.000 1.281 183 A HN 0.919 nan 8.150 nan 0.000 0.402 184 Y N 0.844 121.262 120.300 0.198 0.000 2.299 184 Y HA 0.294 4.843 4.550 -0.002 0.000 0.335 184 Y C 1.494 177.522 175.900 0.213 0.000 1.287 184 Y CA 0.298 58.503 58.100 0.174 0.000 1.424 184 Y CB 0.984 39.504 38.460 0.101 0.000 1.326 184 Y HN 0.736 nan 8.280 nan 0.000 0.567 185 K N 0.679 121.305 120.400 0.377 0.000 2.393 185 K HA 0.063 4.381 4.320 -0.002 0.000 0.193 185 K C 0.012 176.714 176.600 0.170 0.000 1.026 185 K CA 0.031 56.490 56.287 0.288 0.000 1.064 185 K CB 0.099 32.749 32.500 0.250 0.000 0.833 185 K HN 0.555 nan 8.250 nan 0.000 0.521 186 K N 0.753 120.958 120.400 -0.324 0.000 2.300 186 K HA -0.273 4.046 4.320 -0.002 0.000 0.503 186 K C -0.228 176.136 176.600 -0.394 0.000 1.696 186 K CA 1.235 57.203 56.287 -0.532 0.000 1.293 186 K CB -0.049 31.798 32.500 -1.088 0.000 1.621 186 K HN 0.185 nan 8.250 nan 0.000 0.827 187 R N -1.131 119.236 120.500 -0.222 0.000 2.846 187 R HA 0.752 5.091 4.340 -0.002 0.000 0.263 187 R C -0.594 175.818 176.300 0.187 0.000 1.080 187 R CA -0.715 55.420 56.100 0.059 0.000 0.961 187 R CB 2.277 32.593 30.300 0.026 0.000 1.231 187 R HN 0.868 nan 8.270 nan 0.000 0.465 188 G N 0.699 109.611 108.800 0.187 0.000 2.316 188 G HA2 0.307 4.266 3.960 -0.002 0.000 0.468 188 G HA3 0.307 4.266 3.960 -0.002 0.000 0.468 188 G C -2.136 172.866 174.900 0.170 0.000 1.523 188 G CA -0.550 44.655 45.100 0.175 0.000 0.972 188 G HN 0.615 nan 8.290 nan 0.000 0.667 189 D N -0.844 119.639 120.400 0.139 0.000 2.742 189 D HA 0.752 5.391 4.640 -0.002 0.000 0.262 189 D C 0.317 176.694 176.300 0.129 0.000 1.240 189 D CA 0.695 54.778 54.000 0.139 0.000 0.752 189 D CB 1.424 42.286 40.800 0.103 0.000 1.290 189 D HN 1.201 nan 8.370 nan 0.000 0.420 190 A N 0.057 122.958 122.820 0.136 0.000 2.257 190 A HA 0.834 5.153 4.320 -0.002 0.000 0.290 190 A C -0.064 177.573 177.584 0.088 0.000 1.201 190 A CA -0.023 52.084 52.037 0.116 0.000 0.863 190 A CB 0.696 19.766 19.000 0.117 0.000 1.256 190 A HN 0.833 nan 8.150 nan 0.000 0.506 191 c N -2.345 116.310 118.600 0.092 0.000 3.249 191 c HA 0.525 5.094 4.570 -0.002 0.000 0.350 191 c C -1.151 173.012 174.090 0.122 0.000 1.431 191 c CA -0.634 55.757 56.329 0.103 0.000 1.209 191 c CB 0.301 42.880 42.510 0.114 0.000 1.546 191 c HN 0.990 nan 8.230 nan 0.000 0.450 192 E N 0.637 120.918 120.200 0.135 0.000 2.568 192 E HA 0.387 4.736 4.350 -0.002 0.000 0.262 192 E C 1.044 177.739 176.600 0.158 0.000 0.961 192 E CA 2.189 58.678 56.400 0.149 0.000 0.945 192 E CB 0.003 29.789 29.700 0.143 0.000 0.924 192 E HN 1.509 nan 8.360 nan 0.000 0.467 193 G N 3.180 112.077 108.800 0.163 0.000 2.234 193 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.235 193 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.235 193 G C 0.783 175.787 174.900 0.174 0.000 0.997 193 G CA 0.235 45.435 45.100 0.166 0.000 0.623 193 G HN 0.556 nan 8.290 nan 0.000 0.514 194 D N 1.078 121.570 120.400 0.154 0.000 2.305 194 D HA 0.176 4.815 4.640 -0.002 0.000 0.206 194 D C 1.483 177.867 176.300 0.139 0.000 0.974 194 D CA 0.812 54.895 54.000 0.138 0.000 0.871 194 D CB -0.015 40.853 40.800 0.114 0.000 0.947 194 D HN 0.388 nan 8.370 nan 0.000 0.516 195 S N -0.505 115.284 115.700 0.147 0.000 2.561 195 S HA 0.263 4.732 4.470 -0.002 0.000 0.294 195 S C 1.588 176.237 174.600 0.081 0.000 1.294 195 S CA 0.882 59.161 58.200 0.132 0.000 1.055 195 S CB 0.840 64.142 63.200 0.171 0.000 0.819 195 S HN 0.484 nan 8.310 nan 0.000 0.503 196 G N 1.852 110.698 108.800 0.076 0.000 2.225 196 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.254 196 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.254 196 G C 0.432 175.420 174.900 0.145 0.000 0.988 196 G CA -0.021 45.131 45.100 0.088 0.000 0.625 196 G HN 1.155 nan 8.290 nan 0.000 0.527 197 G N 0.768 109.663 108.800 0.158 0.000 2.636 197 G HA2 0.552 4.511 3.960 -0.002 0.000 0.246 197 G HA3 0.552 4.511 3.960 -0.002 0.000 0.246 197 G C -2.215 172.815 174.900 0.216 0.000 1.216 197 G CA -0.173 45.030 45.100 0.172 0.000 0.854 197 G HN 0.349 nan 8.290 nan 0.000 0.572 198 P HA 0.310 nan 4.420 nan 0.000 0.296 198 P C -1.317 176.144 177.300 0.270 0.000 1.301 198 P CA -0.724 62.519 63.100 0.239 0.000 0.862 198 P CB 1.586 33.398 31.700 0.187 0.000 1.046 199 F N 4.741 124.779 119.950 0.147 0.000 2.308 199 F HA 0.386 4.912 4.527 -0.002 0.000 0.370 199 F C -0.411 175.450 175.800 0.102 0.000 1.100 199 F CA -0.750 57.298 58.000 0.079 0.000 1.108 199 F CB 0.369 39.322 39.000 -0.078 0.000 1.293 199 F HN 0.135 nan 8.300 nan 0.000 0.478 200 V N 4.455 124.302 119.914 -0.112 0.000 2.975 200 V HA 0.706 4.825 4.120 -0.002 0.000 0.318 200 V C -0.519 175.585 176.094 0.015 0.000 1.077 200 V CA -0.939 61.388 62.300 0.045 0.000 1.000 200 V CB 2.019 33.915 31.823 0.121 0.000 1.066 200 V HN 0.795 nan 8.190 nan 0.000 0.452 201 M N 1.926 121.636 119.600 0.184 0.000 2.550 201 M HA 0.561 5.040 4.480 -0.002 0.000 0.292 201 M C -0.969 175.323 176.300 -0.013 0.000 1.221 201 M CA -0.581 54.770 55.300 0.084 0.000 0.873 201 M CB 2.732 35.349 32.600 0.029 0.000 1.727 201 M HN 0.788 nan 8.290 nan 0.000 0.459 202 K N 0.593 120.782 120.400 -0.351 0.000 2.182 202 K HA 0.564 4.883 4.320 -0.002 0.000 0.262 202 K C -0.307 176.083 176.600 -0.350 0.000 0.957 202 K CA -0.244 55.637 56.287 -0.677 0.000 0.842 202 K CB 2.115 33.886 32.500 -1.216 0.000 1.099 202 K HN 0.747 nan 8.250 nan 0.000 0.438 203 S N 2.502 118.062 115.700 -0.235 0.000 3.798 203 S HA 0.003 4.472 4.470 -0.002 0.000 0.185 203 S C 0.404 174.903 174.600 -0.169 0.000 0.882 203 S CA 0.866 58.972 58.200 -0.155 0.000 1.488 203 S CB -0.204 62.978 63.200 -0.029 0.000 0.639 203 S HN 0.984 nan 8.310 nan 0.000 0.687 204 N N 1.527 120.212 118.700 -0.025 0.000 2.539 204 N HA -0.318 4.421 4.740 -0.002 0.000 0.239 204 N C 0.096 175.596 175.510 -0.018 0.000 1.250 204 N CA 1.987 55.036 53.050 -0.000 0.000 0.833 204 N CB -2.365 36.147 38.487 0.041 0.000 1.216 204 N HN 0.708 nan 8.380 nan 0.000 0.588 205 N N -1.766 116.898 118.700 -0.061 0.000 2.778 205 N HA -0.256 4.483 4.740 -0.002 0.000 0.249 205 N C -0.734 174.688 175.510 -0.147 0.000 1.069 205 N CA 1.618 54.605 53.050 -0.106 0.000 0.831 205 N CB -0.667 37.786 38.487 -0.057 0.000 1.142 205 N HN 0.975 nan 8.380 nan 0.000 0.573 206 R N -1.132 119.289 120.500 -0.131 0.000 2.720 206 R HA 0.539 4.878 4.340 -0.002 0.000 0.272 206 R C -0.623 175.468 176.300 -0.348 0.000 0.991 206 R CA -0.748 55.241 56.100 -0.185 0.000 1.010 206 R CB 0.663 30.865 30.300 -0.164 0.000 1.141 206 R HN 0.054 nan 8.270 nan 0.000 0.494 207 W N 1.107 122.258 121.300 -0.248 0.000 2.315 207 W HA 0.299 4.958 4.660 -0.001 0.000 0.316 207 W C -0.658 175.509 176.519 -0.587 0.000 1.211 207 W CA -0.016 57.158 57.345 -0.286 0.000 1.201 207 W CB 0.599 29.898 29.460 -0.268 0.000 1.184 207 W HN 0.417 nan 8.180 nan 0.000 0.544 208 Y N 1.273 121.575 120.300 0.003 0.000 2.376 208 Y HA 0.197 4.746 4.550 -0.002 0.000 0.340 208 Y C 0.093 175.971 175.900 -0.036 0.000 0.965 208 Y CA -1.388 56.679 58.100 -0.055 0.000 1.078 208 Y CB 1.835 40.267 38.460 -0.047 0.000 1.193 208 Y HN 0.328 nan 8.280 nan 0.000 0.452 209 Q N 3.816 123.659 119.800 0.071 0.000 2.361 209 Q HA 0.209 4.548 4.340 -0.002 0.000 0.250 209 Q C -0.022 176.092 176.000 0.190 0.000 1.023 209 Q CA -0.345 55.510 55.803 0.087 0.000 0.915 209 Q CB 0.615 29.354 28.738 0.002 0.000 1.238 209 Q HN 0.767 nan 8.270 nan 0.000 0.451 210 M N 2.066 121.817 119.600 0.252 0.000 2.486 210 M HA 0.297 4.776 4.480 -0.002 0.000 0.264 210 M C 0.737 177.207 176.300 0.283 0.000 1.125 210 M CA 0.549 55.974 55.300 0.208 0.000 1.144 210 M CB 0.180 32.851 32.600 0.119 0.000 1.353 210 M HN 0.591 nan 8.290 nan 0.000 0.466 211 G N 0.317 109.369 108.800 0.420 0.000 2.708 211 G HA2 0.730 4.689 3.960 -0.002 0.000 0.289 211 G HA3 0.730 4.689 3.960 -0.002 0.000 0.289 211 G C -1.518 173.592 174.900 0.350 0.000 1.416 211 G CA -0.614 44.722 45.100 0.394 0.000 0.829 211 G HN 0.121 nan 8.290 nan 0.000 0.480 212 I N 0.716 121.469 120.570 0.306 0.000 2.466 212 I HA 0.248 4.417 4.170 -0.002 0.000 0.289 212 I C -0.024 176.239 176.117 0.244 0.000 1.026 212 I CA -1.020 60.443 61.300 0.272 0.000 1.078 212 I CB 2.299 40.417 38.000 0.197 0.000 1.249 212 I HN 0.148 nan 8.210 nan 0.000 0.429 213 V N 5.191 125.246 119.914 0.235 0.000 2.539 213 V HA -0.064 4.055 4.120 -0.002 0.000 0.300 213 V C 0.891 176.990 176.094 0.009 0.000 1.019 213 V CA 0.835 63.138 62.300 0.005 0.000 1.160 213 V CB 0.658 32.538 31.823 0.096 0.000 0.901 213 V HN 0.978 nan 8.190 nan 0.000 0.481 214 S N 5.061 120.686 115.700 -0.126 0.000 3.066 214 S HA 0.337 4.806 4.470 -0.002 0.000 0.235 214 S C -0.006 174.734 174.600 0.234 0.000 0.995 214 S CA -0.006 58.280 58.200 0.144 0.000 0.835 214 S CB 0.543 63.864 63.200 0.202 0.000 0.814 214 S HN 0.885 nan 8.310 nan 0.000 0.594 215 W N 0.081 121.337 121.300 -0.074 0.000 2.988 215 W HA 0.660 5.319 4.660 -0.002 0.000 0.355 215 W C -0.514 175.978 176.519 -0.045 0.000 1.233 215 W CA -0.540 56.755 57.345 -0.082 0.000 1.176 215 W CB 0.388 29.776 29.460 -0.121 0.000 1.477 215 W HN 0.537 nan 8.180 nan 0.000 0.582 216 G N 0.292 109.227 108.800 0.225 0.000 2.506 216 G HA2 0.475 4.434 3.960 -0.002 0.000 0.292 216 G HA3 0.475 4.434 3.960 -0.002 0.000 0.292 216 G C -2.081 172.948 174.900 0.215 0.000 1.425 216 G CA -0.838 44.313 45.100 0.086 0.000 0.788 216 G HN 0.522 nan 8.290 nan 0.000 0.490 220 c N 0.682 119.320 118.600 0.064 0.000 3.206 220 c HA 0.791 5.360 4.570 -0.002 0.000 0.206 220 c C 0.267 174.393 174.090 0.059 0.000 1.836 220 c CA -0.511 55.859 56.329 0.070 0.000 1.382 220 c CB -1.524 41.042 42.510 0.094 0.000 2.405 220 c HN 0.580 nan 8.230 nan 0.000 0.516 221 R N 0.341 120.839 120.500 -0.002 0.000 3.329 221 R HA 0.154 4.493 4.340 -0.002 0.000 0.251 221 R C -2.141 174.124 176.300 -0.058 0.000 1.023 221 R CA -0.662 55.429 56.100 -0.015 0.000 1.009 221 R CB 0.821 31.117 30.300 -0.006 0.000 1.250 221 R HN 0.180 nan 8.270 nan 0.000 0.518 222 D N 0.506 120.882 120.400 -0.041 0.000 2.424 222 D HA 0.246 4.885 4.640 -0.002 0.000 0.244 222 D C 1.331 177.580 176.300 -0.085 0.000 1.134 222 D CA 1.765 55.729 54.000 -0.059 0.000 0.881 222 D CB 1.017 41.805 40.800 -0.019 0.000 1.191 222 D HN 0.764 nan 8.370 nan 0.000 0.445 223 G N 1.486 110.197 108.800 -0.148 0.000 2.155 223 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.257 223 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.257 223 G C 0.233 175.015 174.900 -0.196 0.000 0.983 223 G CA 0.186 45.213 45.100 -0.121 0.000 0.676 223 G HN 0.405 nan 8.290 nan 0.000 0.528 224 K N -0.642 119.522 120.400 -0.394 0.000 2.371 224 K HA 0.682 5.001 4.320 -0.002 0.000 0.251 224 K C -0.990 175.238 176.600 -0.620 0.000 0.934 224 K CA -0.639 55.473 56.287 -0.291 0.000 0.798 224 K CB 1.905 34.358 32.500 -0.078 0.000 1.204 224 K HN 0.184 nan 8.250 nan 0.000 0.427 225 Y N -1.245 119.112 120.300 0.096 0.000 2.536 225 Y HA 0.472 5.021 4.550 -0.002 0.000 0.347 225 Y C 0.853 176.757 175.900 0.006 0.000 1.000 225 Y CA -1.173 56.943 58.100 0.025 0.000 1.051 225 Y CB 1.758 40.172 38.460 -0.077 0.000 1.259 225 Y HN 0.672 nan 8.280 nan 0.000 0.468 226 G N 1.015 109.876 108.800 0.102 0.000 2.415 226 G HA2 0.478 4.437 3.960 -0.002 0.000 0.269 226 G HA3 0.478 4.437 3.960 -0.002 0.000 0.269 226 G C -1.494 173.209 174.900 -0.328 0.000 1.209 226 G CA -0.197 44.851 45.100 -0.086 0.000 0.835 226 G HN 0.312 nan 8.290 nan 0.000 0.534 227 F N 0.401 119.820 119.950 -0.886 0.000 2.450 227 F HA 0.568 5.094 4.527 -0.002 0.000 0.332 227 F C -0.306 174.870 175.800 -1.041 0.000 1.093 227 F CA -0.507 56.926 58.000 -0.944 0.000 1.003 227 F CB 1.874 39.971 39.000 -1.505 0.000 1.151 227 F HN 0.323 nan 8.300 nan 0.000 0.474 228 Y N -0.135 119.802 120.300 -0.605 0.000 2.536 228 Y HA 0.438 4.988 4.550 -0.001 0.000 0.347 228 Y C 0.210 175.915 175.900 -0.326 0.000 1.000 228 Y CA -1.296 56.462 58.100 -0.571 0.000 1.051 228 Y CB 1.621 39.370 38.460 -1.185 0.000 1.259 228 Y HN 0.375 nan 8.280 nan 0.000 0.468 229 T N 2.165 116.757 114.554 0.063 0.000 2.851 229 T HA -0.001 4.348 4.350 -0.002 0.000 0.298 229 T C -0.280 174.577 174.700 0.263 0.000 0.977 229 T CA -0.220 61.986 62.100 0.176 0.000 1.126 229 T CB -0.146 68.829 68.868 0.178 0.000 0.916 229 T HN 0.448 nan 8.240 nan 0.000 0.529 230 H N 4.472 123.699 119.070 0.261 0.000 3.205 230 H HA 0.149 4.704 4.556 -0.002 0.000 0.262 230 H C 1.031 176.509 175.328 0.249 0.000 1.333 230 H CA -0.427 55.825 56.048 0.340 0.000 1.499 230 H CB -0.065 29.870 29.762 0.288 0.000 1.609 230 H HN 0.383 nan 8.280 nan 0.000 0.498 231 V N 5.834 125.954 119.914 0.343 0.000 2.392 231 V HA -0.279 3.840 4.120 -0.002 0.000 0.249 231 V C 2.184 178.482 176.094 0.339 0.000 1.059 231 V CA 1.637 64.117 62.300 0.301 0.000 1.051 231 V CB -0.886 31.087 31.823 0.249 0.000 0.658 231 V HN 0.547 nan 8.190 nan 0.000 0.455 232 F N 1.266 121.410 119.950 0.324 0.000 2.069 232 F HA -0.163 4.363 4.527 -0.002 0.000 0.298 232 F C 2.627 178.560 175.800 0.221 0.000 1.113 232 F CA 1.706 59.869 58.000 0.271 0.000 1.214 232 F CB -0.294 38.861 39.000 0.259 0.000 0.978 232 F HN -0.040 nan 8.300 nan 0.000 0.474 233 R N 0.286 120.880 120.500 0.157 0.000 2.152 233 R HA -0.094 4.245 4.340 -0.002 0.000 0.232 233 R C 1.999 178.247 176.300 -0.085 0.000 1.117 233 R CA 1.255 57.286 56.100 -0.114 0.000 0.981 233 R CB -0.867 29.339 30.300 -0.155 0.000 0.870 233 R HN 0.386 nan 8.270 nan 0.000 0.451 234 L N 0.082 121.319 121.223 0.024 0.000 2.592 234 L HA 0.105 4.444 4.340 -0.002 0.000 0.227 234 L C 2.215 179.160 176.870 0.124 0.000 1.127 234 L CA 0.103 54.993 54.840 0.084 0.000 0.884 234 L CB -0.151 41.973 42.059 0.108 0.000 1.065 234 L HN -0.007 nan 8.230 nan 0.000 0.457 235 K N 0.713 121.097 120.400 -0.026 0.000 2.127 235 K HA -0.233 4.086 4.320 -0.002 0.000 0.208 235 K C 2.000 178.572 176.600 -0.047 0.000 1.047 235 K CA 1.366 57.615 56.287 -0.064 0.000 0.927 235 K CB 0.182 32.568 32.500 -0.191 0.000 0.716 235 K HN 0.085 nan 8.250 nan 0.000 0.450 236 K N -0.354 120.025 120.400 -0.036 0.000 2.097 236 K HA -0.172 4.147 4.320 -0.002 0.000 0.205 236 K C 1.736 178.365 176.600 0.049 0.000 1.050 236 K CA 1.350 57.633 56.287 -0.007 0.000 0.938 236 K CB -0.479 32.024 32.500 0.005 0.000 0.718 236 K HN 0.409 nan 8.250 nan 0.000 0.442 237 W N 2.093 123.390 121.300 -0.005 0.000 2.358 237 W HA -0.129 4.530 4.660 -0.002 0.000 0.303 237 W C 1.723 178.213 176.519 -0.048 0.000 1.208 237 W CA 1.258 58.620 57.345 0.029 0.000 1.274 237 W CB -0.375 29.205 29.460 0.201 0.000 1.138 237 W HN -0.083 nan 8.180 nan 0.000 0.515 238 I N 0.541 120.991 120.570 -0.201 0.000 2.127 238 I HA -0.416 3.753 4.170 -0.002 0.000 0.241 238 I C 2.726 178.523 176.117 -0.532 0.000 1.075 238 I CA 2.209 63.216 61.300 -0.487 0.000 1.334 238 I CB -1.022 36.867 38.000 -0.185 0.000 1.040 238 I HN 0.138 nan 8.210 nan 0.000 0.405 239 Q N 1.551 121.164 119.800 -0.311 0.000 2.077 239 Q HA -0.317 4.022 4.340 -0.002 0.000 0.206 239 Q C 2.229 178.049 176.000 -0.300 0.000 0.989 239 Q CA 2.410 58.057 55.803 -0.261 0.000 0.853 239 Q CB -0.134 28.523 28.738 -0.134 0.000 0.907 239 Q HN 0.409 nan 8.270 nan 0.000 0.418 240 K N -0.474 119.748 120.400 -0.298 0.000 2.026 240 K HA -0.145 4.174 4.320 -0.002 0.000 0.208 240 K C 1.898 178.264 176.600 -0.389 0.000 1.048 240 K CA 1.674 57.799 56.287 -0.270 0.000 0.929 240 K CB -0.116 32.276 32.500 -0.180 0.000 0.713 240 K HN 0.158 nan 8.250 nan 0.000 0.439 241 V N 1.732 121.249 119.914 -0.661 0.000 2.295 241 V HA -0.249 3.870 4.120 -0.002 0.000 0.246 241 V C 2.410 178.032 176.094 -0.786 0.000 1.049 241 V CA 1.808 63.629 62.300 -0.798 0.000 1.024 241 V CB -0.356 30.750 31.823 -1.195 0.000 0.648 241 V HN 0.351 nan 8.190 nan 0.000 0.447 242 I N -0.578 119.449 120.570 -0.905 0.000 2.127 242 I HA -0.225 3.943 4.170 -0.002 0.000 0.241 242 I C 1.142 176.993 176.117 -0.443 0.000 1.075 242 I CA 1.467 62.203 61.300 -0.941 0.000 1.334 242 I CB -0.299 37.099 38.000 -1.002 0.000 1.040 242 I HN 0.375 nan 8.210 nan 0.000 0.405 243 D N 0.946 121.149 120.400 -0.328 0.000 2.699 243 D HA -0.204 4.435 4.640 -0.002 0.000 0.239 243 D C 1.090 177.277 176.300 -0.188 0.000 1.136 243 D CA 0.529 54.420 54.000 -0.182 0.000 0.668 243 D CB -0.693 40.044 40.800 -0.105 0.000 1.060 243 D HN 0.504 nan 8.370 nan 0.000 0.429 244 Q N -1.429 118.167 119.800 -0.339 0.000 2.297 244 Q HA -0.159 4.180 4.340 -0.002 0.000 0.208 244 Q C 1.367 177.019 176.000 -0.580 0.000 0.981 244 Q CA 1.118 56.603 55.803 -0.530 0.000 0.876 244 Q CB 0.010 28.194 28.738 -0.924 0.000 0.921 244 Q HN 0.479 nan 8.270 nan 0.000 0.446 245 F N -1.260 118.678 119.950 -0.020 0.000 2.654 245 F HA 0.395 4.921 4.527 -0.002 0.000 0.303 245 F C 0.849 176.646 175.800 -0.005 0.000 1.099 245 F CA -0.038 57.957 58.000 -0.008 0.000 1.270 245 F CB 1.154 40.148 39.000 -0.011 0.000 1.024 245 F HN -0.095 nan 8.300 nan 0.000 0.548 246 G N 0.000 108.863 108.800 0.105 0.000 5.446 246 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 246 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 246 G CA 0.000 nan 45.100 nan 0.000 0.502 246 G HN 0.000 nan 8.290 nan 0.000 0.925