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 1sid_1_F DATA FIRST_RESID 18 DATA SEQUENCE ACPRPAPVPK LLIKGGMEVL DLVTGPDSVT EIEAFLNPRM GQPPTPESLT DATA SEQUENCE EGGQYYGWSR GINLATSDTE DSPGNNTLPT WSMAKLQLPM LNEDLTCDTL DATA SEQUENCE QMWEAVSVKT EVVGSGSLLD VHGFNKPTDT VNTKGISTPV EGSQYHVFAV DATA SEQUENCE GGEPLDLQGL VTDARTKYKE EGVVTIKTIT KKDMVNKDQV LNPISKAKLD DATA SEQUENCE KDGMYPVEIW HPDPAKNENT RYFGNYTGGT TTPPVLQFTN TLTTVLLDEN DATA SEQUENCE GVGPLCKGEG LYLSCVDIMG WRVTRNYDVH HWRGLPRYFK ITLRKRWVKN DATA SEQUENCE PYPMASLISS LFNNMLPQVQ GQPMEGENTQ VEEVRVYDGT EPVPGDPDMT DATA SEQUENCE RYVD 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 18 A HA 0.000 nan 4.320 nan 0.000 0.244 18 A C 0.000 177.586 177.584 0.003 0.000 1.274 18 A CA 0.000 52.039 52.037 0.003 0.000 0.836 18 A CB 0.000 19.002 19.000 0.003 0.000 0.831 19 C N 0.232 119.534 119.300 0.003 0.000 2.030 19 C HA 0.723 5.183 4.460 0.000 0.000 0.143 19 C C -1.494 173.498 174.990 0.003 0.000 2.898 19 C CA 0.266 59.286 59.018 0.002 0.000 1.932 19 C CB -1.021 26.720 27.740 0.002 0.000 2.700 19 C HN 0.879 nan 8.230 nan 0.000 0.308 20 P HA 0.327 nan 4.420 nan 0.000 0.274 20 P C -1.534 175.768 177.300 0.003 0.000 1.260 20 P CA 0.037 63.138 63.100 0.003 0.000 0.793 20 P CB 0.282 31.984 31.700 0.002 0.000 1.048 21 R N -0.496 120.006 120.500 0.003 0.000 2.680 21 R HA 0.521 4.861 4.340 0.000 0.000 0.278 21 R C -2.523 173.779 176.300 0.004 0.000 1.582 21 R CA -1.611 54.491 56.100 0.004 0.000 1.177 21 R CB -0.544 29.759 30.300 0.005 0.000 1.232 21 R HN 0.216 nan 8.270 nan 0.000 0.528 22 P HA -0.040 nan 4.420 nan 0.000 0.271 22 P C -0.281 177.022 177.300 0.005 0.000 1.228 22 P CA -0.158 62.944 63.100 0.004 0.000 0.797 22 P CB 0.446 32.149 31.700 0.004 0.000 0.914 23 A N 1.720 124.543 122.820 0.005 0.000 2.407 23 A HA 0.424 4.744 4.320 0.000 0.000 0.248 23 A C -2.040 175.548 177.584 0.007 0.000 1.082 23 A CA -0.855 51.185 52.037 0.006 0.000 0.785 23 A CB -1.035 17.968 19.000 0.006 0.000 1.020 23 A HN 0.404 nan 8.150 nan 0.000 0.489 24 P HA 0.505 nan 4.420 nan 0.000 0.285 24 P C -1.037 176.270 177.300 0.011 0.000 1.259 24 P CA -0.150 62.956 63.100 0.010 0.000 0.794 24 P CB 1.262 32.968 31.700 0.011 0.000 0.940 25 V N 3.876 123.798 119.914 0.012 0.000 3.007 25 V HA 0.446 4.566 4.120 0.000 0.000 0.311 25 V C -2.185 173.918 176.094 0.015 0.000 1.120 25 V CA -1.666 60.642 62.300 0.013 0.000 0.980 25 V CB 1.913 33.743 31.823 0.012 0.000 1.033 25 V HN 0.590 nan 8.190 nan 0.000 0.429 26 P HA 0.137 nan 4.420 nan 0.000 0.267 26 P C -0.735 176.577 177.300 0.019 0.000 1.209 26 P CA -0.256 62.856 63.100 0.020 0.000 0.763 26 P CB 0.676 32.390 31.700 0.023 0.000 0.816 27 K N 3.988 124.400 120.400 0.019 0.000 2.383 27 K HA 0.166 4.486 4.320 0.000 0.000 0.286 27 K C -0.127 176.485 176.600 0.020 0.000 1.051 27 K CA -0.587 55.711 56.287 0.018 0.000 0.974 27 K CB 0.193 32.704 32.500 0.017 0.000 0.968 27 K HN 0.487 nan 8.250 nan 0.000 0.475 28 L N 5.643 126.877 121.223 0.018 0.000 2.380 28 L HA 0.099 4.439 4.340 0.000 0.000 0.273 28 L C 0.566 177.448 176.870 0.019 0.000 1.138 28 L CA -0.148 54.704 54.840 0.019 0.000 0.832 28 L CB 0.638 42.707 42.059 0.017 0.000 1.124 28 L HN 0.890 nan 8.230 nan 0.000 0.454 29 L N 5.768 127.004 121.223 0.021 0.000 2.145 29 L HA 0.312 4.652 4.340 0.000 0.000 0.201 29 L C 0.441 177.322 176.870 0.018 0.000 1.075 29 L CA 0.452 55.305 54.840 0.021 0.000 0.773 29 L CB 0.389 42.463 42.059 0.025 0.000 0.936 29 L HN 0.634 nan 8.230 nan 0.000 0.451 30 I N -0.775 119.806 120.570 0.018 0.000 2.793 30 I HA 0.166 4.336 4.170 0.000 0.000 0.295 30 I C -1.792 174.333 176.117 0.013 0.000 1.610 30 I CA -0.692 60.617 61.300 0.015 0.000 0.986 30 I CB 1.951 39.960 38.000 0.015 0.000 1.402 30 I HN 0.012 nan 8.210 nan 0.000 0.500 31 K N 5.085 125.492 120.400 0.011 0.000 2.395 31 K HA 1.013 5.333 4.320 0.000 0.000 0.245 31 K C -0.483 176.121 176.600 0.008 0.000 1.017 31 K CA -0.272 56.021 56.287 0.009 0.000 0.852 31 K CB 2.598 35.105 32.500 0.012 0.000 1.311 31 K HN 1.092 nan 8.250 nan 0.000 0.452 32 G N -0.518 108.285 108.800 0.006 0.000 2.369 32 G HA2 0.285 4.245 3.960 0.000 0.000 0.295 32 G HA3 0.285 4.245 3.960 0.000 0.000 0.295 32 G C -0.265 174.635 174.900 -0.000 0.000 1.298 32 G CA -0.599 44.504 45.100 0.005 0.000 0.940 32 G HN 0.841 nan 8.290 nan 0.000 0.536 33 G N -1.104 107.695 108.800 -0.001 0.000 2.590 33 G HA2 0.427 4.387 3.960 0.000 0.000 0.276 33 G HA3 0.427 4.387 3.960 0.000 0.000 0.276 33 G C 1.514 176.400 174.900 -0.023 0.000 1.337 33 G CA 0.429 45.524 45.100 -0.009 0.000 1.030 33 G HN 0.612 nan 8.290 nan 0.000 0.534 34 M N 0.660 120.238 119.600 -0.036 0.000 2.192 34 M HA -0.128 4.352 4.480 0.000 0.000 0.259 34 M C 2.545 178.822 176.300 -0.039 0.000 1.071 34 M CA 1.680 56.947 55.300 -0.054 0.000 1.082 34 M CB -1.039 31.521 32.600 -0.066 0.000 1.373 34 M HN 0.817 nan 8.290 nan 0.000 0.408 35 E N 0.150 120.337 120.200 -0.023 0.000 2.204 35 E HA -0.110 4.240 4.350 0.000 0.000 0.195 35 E C 1.989 178.587 176.600 -0.003 0.000 0.990 35 E CA 1.179 57.573 56.400 -0.010 0.000 0.821 35 E CB -1.295 28.402 29.700 -0.006 0.000 0.750 35 E HN 0.333 nan 8.360 nan 0.000 0.477 36 V N 1.352 121.262 119.914 -0.006 0.000 2.370 36 V HA -0.294 3.826 4.120 0.000 0.000 0.252 36 V C 2.577 178.676 176.094 0.010 0.000 1.068 36 V CA 1.759 64.060 62.300 0.002 0.000 1.061 36 V CB -0.651 31.170 31.823 -0.003 0.000 0.656 36 V HN 0.171 nan 8.190 nan 0.000 0.455 37 L N 0.240 121.462 121.223 -0.001 0.000 2.064 37 L HA -0.272 4.068 4.340 0.000 0.000 0.216 37 L C 2.096 179.004 176.870 0.063 0.000 1.077 37 L CA 2.236 57.087 54.840 0.018 0.000 0.766 37 L CB -1.267 40.780 42.059 -0.020 0.000 0.890 37 L HN 0.395 nan 8.230 nan 0.000 0.435 38 D N -0.936 119.489 120.400 0.043 0.000 2.190 38 D HA -0.144 4.496 4.640 0.000 0.000 0.200 38 D C 0.955 177.282 176.300 0.045 0.000 0.992 38 D CA 0.514 54.542 54.000 0.047 0.000 0.854 38 D CB -0.349 40.467 40.800 0.027 0.000 0.936 38 D HN 0.110 nan 8.370 nan 0.000 0.462 39 L N 1.383 122.630 121.223 0.039 0.000 2.559 39 L HA -0.019 4.321 4.340 0.000 0.000 0.274 39 L C 0.760 177.657 176.870 0.046 0.000 1.205 39 L CA -0.325 54.537 54.840 0.035 0.000 0.907 39 L CB 0.556 42.633 42.059 0.031 0.000 1.153 39 L HN 0.056 nan 8.230 nan 0.000 0.490 40 V N 3.162 123.097 119.914 0.035 0.000 2.667 40 V HA -0.157 3.963 4.120 0.000 0.000 0.284 40 V C 1.640 177.751 176.094 0.029 0.000 1.425 40 V CA 0.797 63.114 62.300 0.028 0.000 1.463 40 V CB -2.713 29.121 31.823 0.018 0.000 1.144 40 V HN 1.111 nan 8.190 nan 0.000 0.422 41 T N -0.806 113.778 114.554 0.050 0.000 2.418 41 T HA -0.250 4.100 4.350 0.000 0.000 0.207 41 T C 1.714 176.431 174.700 0.028 0.000 1.485 41 T CA 2.337 64.472 62.100 0.057 0.000 1.014 41 T CB -1.359 67.573 68.868 0.107 0.000 0.785 41 T HN 2.302 nan 8.240 nan 0.000 0.470 42 G N 1.356 110.157 108.800 0.001 0.000 2.250 42 G HA2 0.232 4.192 3.960 0.000 0.000 0.189 42 G HA3 0.232 4.192 3.960 0.000 0.000 0.189 42 G C -2.416 172.464 174.900 -0.035 0.000 1.298 42 G CA 0.204 45.303 45.100 -0.003 0.000 1.246 42 G HN 0.664 nan 8.290 nan 0.000 0.513 43 P HA 0.289 nan 4.420 nan 0.000 0.276 43 P C 0.043 177.322 177.300 -0.034 0.000 1.123 43 P CA 0.876 63.942 63.100 -0.055 0.000 1.015 43 P CB 1.274 32.980 31.700 0.008 0.000 1.240 44 D N 0.370 120.776 120.400 0.009 0.000 2.349 44 D HA 0.061 4.701 4.640 0.000 0.000 0.214 44 D C 0.513 176.836 176.300 0.040 0.000 1.063 44 D CA 0.365 54.381 54.000 0.027 0.000 0.847 44 D CB 0.007 40.828 40.800 0.035 0.000 0.933 44 D HN 0.175 nan 8.370 nan 0.000 0.513 45 S N 0.349 116.074 115.700 0.040 0.000 2.563 45 S HA 0.275 4.745 4.470 0.000 0.000 0.284 45 S C 0.341 174.999 174.600 0.097 0.000 1.331 45 S CA -0.592 57.647 58.200 0.064 0.000 1.047 45 S CB 1.354 64.597 63.200 0.071 0.000 0.859 45 S HN -0.028 nan 8.310 nan 0.000 0.514 46 V N 1.315 121.282 119.914 0.089 0.000 2.823 46 V HA 0.731 4.851 4.120 0.000 0.000 0.312 46 V C -0.131 176.006 176.094 0.072 0.000 1.072 46 V CA -0.878 61.480 62.300 0.097 0.000 0.937 46 V CB 1.940 33.806 31.823 0.071 0.000 1.013 46 V HN 1.038 nan 8.190 nan 0.000 0.430 47 T N 1.993 116.579 114.554 0.054 0.000 2.861 47 T HA 0.566 4.916 4.350 0.000 0.000 0.287 47 T C -0.812 173.870 174.700 -0.031 0.000 1.003 47 T CA -0.626 61.468 62.100 -0.009 0.000 0.977 47 T CB 1.934 70.754 68.868 -0.080 0.000 0.996 47 T HN 0.755 nan 8.240 nan 0.000 0.448 48 E N 2.151 122.333 120.200 -0.029 0.000 2.165 48 E HA 0.523 4.873 4.350 0.000 0.000 0.266 48 E C -0.815 175.755 176.600 -0.050 0.000 0.889 48 E CA -0.533 55.852 56.400 -0.025 0.000 0.756 48 E CB 1.638 31.341 29.700 0.004 0.000 1.131 48 E HN 0.495 nan 8.360 nan 0.000 0.411 49 I N 2.601 123.128 120.570 -0.071 0.000 2.498 49 I HA 0.294 4.464 4.170 0.000 0.000 0.290 49 I C -0.481 175.575 176.117 -0.101 0.000 1.032 49 I CA -0.627 60.619 61.300 -0.091 0.000 1.073 49 I CB 1.914 39.834 38.000 -0.133 0.000 1.251 49 I HN 0.389 nan 8.210 nan 0.000 0.426 50 E N 4.665 124.802 120.200 -0.104 0.000 2.234 50 E HA 0.810 5.160 4.350 0.000 0.000 0.266 50 E C -0.760 175.780 176.600 -0.101 0.000 0.877 50 E CA -0.502 55.775 56.400 -0.205 0.000 0.758 50 E CB 2.762 32.345 29.700 -0.195 0.000 1.170 50 E HN 0.721 nan 8.360 nan 0.000 0.415 51 A N 2.223 124.984 122.820 -0.098 0.000 3.065 51 A HA 0.920 5.240 4.320 0.000 0.000 0.293 51 A C -1.652 176.107 177.584 0.291 0.000 1.213 51 A CA -0.626 51.452 52.037 0.068 0.000 0.667 51 A CB 0.892 19.804 19.000 -0.147 0.000 1.412 51 A HN 0.598 nan 8.150 nan 0.000 0.601 52 F N -3.155 116.789 119.950 -0.010 0.000 2.842 52 F HA 0.740 5.267 4.527 0.000 0.000 0.319 52 F C -2.453 173.362 175.800 0.024 0.000 1.159 52 F CA -1.244 56.829 58.000 0.123 0.000 0.902 52 F CB 0.455 39.566 39.000 0.185 0.000 1.311 52 F HN 0.409 nan 8.300 nan 0.000 0.453 53 L N 2.197 123.515 121.223 0.158 0.000 2.386 53 L HA 0.491 4.831 4.340 0.000 0.000 0.271 53 L C -0.593 176.424 176.870 0.245 0.000 0.993 53 L CA -0.943 53.901 54.840 0.006 0.000 0.819 53 L CB 1.708 43.797 42.059 0.050 0.000 1.294 53 L HN 0.791 nan 8.230 nan 0.000 0.414 54 N N 3.402 122.209 118.700 0.179 0.000 2.524 54 N HA 0.417 5.157 4.740 0.000 0.000 0.283 54 N C -2.347 173.214 175.510 0.084 0.000 1.142 54 N CA -1.286 51.885 53.050 0.201 0.000 0.984 54 N CB 1.099 39.721 38.487 0.226 0.000 1.155 54 N HN 0.379 nan 8.380 nan 0.000 0.467 55 P HA 0.065 nan 4.420 nan 0.000 0.269 55 P C -1.146 176.123 177.300 -0.052 0.000 1.263 55 P CA 0.268 63.368 63.100 -0.000 0.000 0.813 55 P CB 0.284 31.971 31.700 -0.022 0.000 0.868 56 R N 4.563 125.070 120.500 0.010 0.000 3.171 56 R HA 0.345 4.685 4.340 0.000 0.000 0.241 56 R C 0.271 176.590 176.300 0.030 0.000 1.421 56 R CA -0.211 55.903 56.100 0.023 0.000 1.444 56 R CB -0.136 30.212 30.300 0.081 0.000 1.247 56 R HN 0.545 nan 8.270 nan 0.000 0.636 57 M N -0.494 119.109 119.600 0.004 0.000 2.085 57 M HA 0.607 5.087 4.480 0.000 0.000 0.309 57 M C 0.486 176.771 176.300 -0.025 0.000 0.947 57 M CA -0.608 54.688 55.300 -0.007 0.000 0.918 57 M CB 1.937 34.548 32.600 0.018 0.000 1.504 57 M HN 0.429 nan 8.290 nan 0.000 0.420 58 G N 2.635 111.413 108.800 -0.036 0.000 2.728 58 G HA2 -0.278 3.682 3.960 0.000 0.000 0.269 58 G HA3 -0.278 3.682 3.960 0.000 0.000 0.269 58 G C -0.413 174.535 174.900 0.080 0.000 1.334 58 G CA 0.257 45.346 45.100 -0.018 0.000 0.974 58 G HN 0.981 nan 8.290 nan 0.000 0.550 59 Q N 4.193 124.091 119.800 0.164 0.000 2.297 59 Q HA 0.530 4.870 4.340 0.000 0.000 0.267 59 Q C -1.706 174.490 176.000 0.327 0.000 1.006 59 Q CA -1.000 54.951 55.803 0.246 0.000 0.896 59 Q CB 1.124 30.076 28.738 0.358 0.000 1.186 59 Q HN 0.574 nan 8.270 nan 0.000 0.392 60 P HA 0.178 nan 4.420 nan 0.000 0.278 60 P C -2.393 175.038 177.300 0.219 0.000 1.266 60 P CA -1.382 61.883 63.100 0.275 0.000 0.807 60 P CB 0.978 32.761 31.700 0.138 0.000 1.094 61 P HA -0.260 nan 4.420 nan 0.000 0.199 61 P C 1.274 178.416 177.300 -0.263 0.000 1.118 61 P CA 2.369 65.153 63.100 -0.525 0.000 0.913 61 P CB -1.267 30.227 31.700 -0.343 0.000 0.738 62 T N -1.827 112.639 114.554 -0.146 0.000 2.409 62 T HA -0.216 4.134 4.350 0.000 0.000 0.197 62 T C -1.464 173.190 174.700 -0.076 0.000 1.524 62 T CA 1.850 63.899 62.100 -0.085 0.000 0.983 62 T CB -3.499 65.346 68.868 -0.038 0.000 0.774 62 T HN 0.241 nan 8.240 nan 0.000 0.477 63 P HA 0.317 nan 4.420 nan 0.000 0.264 63 P C 0.439 177.697 177.300 -0.070 0.000 1.537 63 P CA 0.211 63.283 63.100 -0.045 0.000 1.189 63 P CB 0.073 31.760 31.700 -0.022 0.000 1.687 64 E N 0.342 120.496 120.200 -0.076 0.000 2.107 64 E HA -0.064 4.286 4.350 0.000 0.000 0.191 64 E C 0.762 177.329 176.600 -0.055 0.000 0.982 64 E CA 0.578 56.929 56.400 -0.083 0.000 0.809 64 E CB 0.074 29.729 29.700 -0.075 0.000 0.756 64 E HN 0.299 nan 8.360 nan 0.000 0.459 65 S N 0.592 116.264 115.700 -0.046 0.000 2.549 65 S HA 0.055 4.525 4.470 0.000 0.000 0.279 65 S C 0.925 175.493 174.600 -0.054 0.000 1.321 65 S CA -0.507 57.670 58.200 -0.038 0.000 1.054 65 S CB 0.385 63.565 63.200 -0.032 0.000 0.899 65 S HN 0.230 nan 8.310 nan 0.000 0.497 66 L N 3.673 124.869 121.223 -0.044 0.000 2.762 66 L HA 0.176 4.516 4.340 0.000 0.000 0.250 66 L C 1.403 178.213 176.870 -0.099 0.000 1.160 66 L CA 0.271 55.070 54.840 -0.068 0.000 0.951 66 L CB -1.636 40.411 42.059 -0.019 0.000 1.148 66 L HN 0.757 nan 8.230 nan 0.000 0.424 67 T N -6.173 108.330 114.554 -0.085 0.000 3.028 67 T HA 0.160 4.510 4.350 0.000 0.000 0.250 67 T C 1.497 176.146 174.700 -0.085 0.000 0.979 67 T CA -0.288 61.767 62.100 -0.076 0.000 1.004 67 T CB 0.221 69.064 68.868 -0.042 0.000 1.120 67 T HN 0.161 nan 8.240 nan 0.000 0.482 68 E N 2.262 122.417 120.200 -0.075 0.000 2.001 68 E HA 0.055 4.405 4.350 0.000 0.000 0.193 68 E C 2.180 178.731 176.600 -0.082 0.000 0.994 68 E CA 1.530 57.893 56.400 -0.061 0.000 0.815 68 E CB -0.790 28.882 29.700 -0.048 0.000 0.770 68 E HN 0.584 nan 8.360 nan 0.000 0.453 69 G N -0.659 108.080 108.800 -0.103 0.000 3.371 69 G HA2 0.258 4.218 3.960 0.000 0.000 0.248 69 G HA3 0.258 4.218 3.960 0.000 0.000 0.248 69 G C 1.084 175.774 174.900 -0.351 0.000 1.161 69 G CA 0.386 45.418 45.100 -0.114 0.000 0.796 69 G HN 0.412 nan 8.290 nan 0.000 0.539 70 G N -0.107 108.444 108.800 -0.416 0.000 2.300 70 G HA2 -0.362 3.598 3.960 0.000 0.000 0.267 70 G HA3 -0.362 3.598 3.960 0.000 0.000 0.267 70 G C 0.688 175.199 174.900 -0.648 0.000 0.980 70 G CA 0.785 45.456 45.100 -0.715 0.000 0.635 70 G HN 0.855 nan 8.290 nan 0.000 0.552 71 Q N -2.498 117.080 119.800 -0.371 0.000 2.453 71 Q HA -0.181 4.159 4.340 0.000 0.000 0.350 71 Q C 0.178 176.314 176.000 0.227 0.000 1.447 71 Q CA 1.087 56.884 55.803 -0.011 0.000 0.968 71 Q CB -2.055 26.729 28.738 0.076 0.000 1.175 71 Q HN 0.769 nan 8.270 nan 0.000 0.354 72 Y N -1.311 119.168 120.300 0.298 0.000 2.524 72 Y HA 0.148 4.698 4.550 0.000 0.000 0.266 72 Y C 0.550 176.777 175.900 0.546 0.000 1.180 72 Y CA -1.230 57.097 58.100 0.378 0.000 1.244 72 Y CB 0.089 38.637 38.460 0.147 0.000 1.125 72 Y HN 0.449 nan 8.280 nan 0.000 0.524 73 Y N 1.879 122.429 120.300 0.417 0.000 2.895 73 Y HA 0.265 4.815 4.550 0.000 0.000 0.334 73 Y C 1.329 177.394 175.900 0.275 0.000 1.261 73 Y CA 0.916 59.182 58.100 0.276 0.000 1.560 73 Y CB 0.225 38.791 38.460 0.176 0.000 1.253 73 Y HN 0.457 nan 8.280 nan 0.000 0.582 74 G N 4.955 113.614 108.800 -0.235 0.000 2.314 74 G HA2 -0.246 3.714 3.960 0.000 0.000 0.292 74 G HA3 -0.246 3.714 3.960 0.000 0.000 0.292 74 G C -0.836 174.011 174.900 -0.088 0.000 1.059 74 G CA 0.170 45.083 45.100 -0.311 0.000 0.982 74 G HN 0.627 nan 8.290 nan 0.000 0.505 75 W N -0.792 120.545 121.300 0.061 0.000 3.953 75 W HA 0.456 5.116 4.660 0.000 0.000 0.286 75 W C 0.075 176.630 176.519 0.060 0.000 1.256 75 W CA -1.390 56.031 57.345 0.126 0.000 1.244 75 W CB 1.191 30.801 29.460 0.250 0.000 1.262 75 W HN 0.179 nan 8.180 nan 0.000 0.522 76 S N 3.774 119.599 115.700 0.207 0.000 2.546 76 S HA 0.047 4.517 4.470 0.000 0.000 0.290 76 S C 1.546 176.162 174.600 0.027 0.000 1.262 76 S CA 0.181 58.297 58.200 -0.138 0.000 1.083 76 S CB 0.655 63.456 63.200 -0.666 0.000 0.859 76 S HN 0.385 nan 8.310 nan 0.000 0.495 77 R N 2.553 123.021 120.500 -0.054 0.000 2.205 77 R HA -0.110 4.230 4.340 0.000 0.000 0.221 77 R C 1.234 177.271 176.300 -0.438 0.000 1.101 77 R CA 1.651 57.637 56.100 -0.190 0.000 0.869 77 R CB -0.647 29.612 30.300 -0.068 0.000 0.815 77 R HN 0.707 nan 8.270 nan 0.000 0.434 78 G N -0.933 107.710 108.800 -0.262 0.000 2.932 78 G HA2 0.469 4.429 3.960 0.000 0.000 0.283 78 G HA3 0.469 4.429 3.960 0.000 0.000 0.283 78 G C -1.186 173.662 174.900 -0.086 0.000 1.336 78 G CA -0.598 44.362 45.100 -0.234 0.000 1.056 78 G HN 0.141 nan 8.290 nan 0.000 0.522 79 I N 1.885 122.433 120.570 -0.037 0.000 2.555 79 I HA 0.227 4.397 4.170 0.000 0.000 0.275 79 I C 0.054 176.144 176.117 -0.045 0.000 1.082 79 I CA -1.144 60.151 61.300 -0.009 0.000 1.167 79 I CB 0.232 38.276 38.000 0.072 0.000 1.312 79 I HN 0.501 nan 8.210 nan 0.000 0.493 80 N N 6.307 124.972 118.700 -0.058 0.000 2.406 80 N HA 0.074 4.814 4.740 0.000 0.000 0.265 80 N C -0.061 175.415 175.510 -0.056 0.000 1.203 80 N CA -0.224 52.790 53.050 -0.059 0.000 0.945 80 N CB 0.919 39.373 38.487 -0.055 0.000 1.165 80 N HN 0.458 nan 8.380 nan 0.000 0.485 81 L N 3.385 124.569 121.223 -0.066 0.000 2.505 81 L HA 0.520 4.860 4.340 0.000 0.000 0.226 81 L C 0.275 177.106 176.870 -0.066 0.000 1.211 81 L CA -0.167 54.633 54.840 -0.068 0.000 0.828 81 L CB 0.724 42.734 42.059 -0.081 0.000 1.331 81 L HN 0.565 nan 8.230 nan 0.000 0.513 82 A N -0.402 122.378 122.820 -0.066 0.000 2.282 82 A HA 0.517 4.837 4.320 0.000 0.000 0.324 82 A C 0.630 178.178 177.584 -0.059 0.000 1.119 82 A CA 0.033 52.031 52.037 -0.066 0.000 0.880 82 A CB 1.097 20.056 19.000 -0.069 0.000 1.294 82 A HN 0.785 nan 8.150 nan 0.000 0.493 83 T N -0.229 114.292 114.554 -0.055 0.000 2.814 83 T HA 0.270 4.620 4.350 0.000 0.000 0.254 83 T C 0.780 175.455 174.700 -0.041 0.000 1.037 83 T CA 1.611 63.684 62.100 -0.046 0.000 1.143 83 T CB -0.113 68.729 68.868 -0.043 0.000 0.866 83 T HN 0.943 nan 8.240 nan 0.000 0.431 84 S N -1.240 114.435 115.700 -0.042 0.000 2.643 84 S HA 0.194 4.664 4.470 0.000 0.000 0.266 84 S C -0.347 174.231 174.600 -0.038 0.000 1.130 84 S CA -0.301 57.877 58.200 -0.036 0.000 0.817 84 S CB 0.882 64.064 63.200 -0.030 0.000 1.107 84 S HN 0.191 nan 8.310 nan 0.000 0.471 85 D N 0.773 121.153 120.400 -0.033 0.000 2.276 85 D HA -0.147 4.493 4.640 0.000 0.000 0.200 85 D C 1.635 177.914 176.300 -0.035 0.000 1.004 85 D CA 2.502 56.483 54.000 -0.032 0.000 0.898 85 D CB 0.143 40.928 40.800 -0.025 0.000 0.906 85 D HN 0.456 nan 8.370 nan 0.000 0.457 86 T N -1.675 112.859 114.554 -0.034 0.000 2.937 86 T HA -0.059 4.291 4.350 0.000 0.000 0.260 86 T C 0.470 175.144 174.700 -0.043 0.000 1.051 86 T CA 0.470 62.550 62.100 -0.034 0.000 1.141 86 T CB -0.004 68.847 68.868 -0.028 0.000 0.879 86 T HN 0.139 nan 8.240 nan 0.000 0.459 87 E N 1.209 121.381 120.200 -0.048 0.000 2.186 87 E HA 0.314 4.664 4.350 0.000 0.000 0.255 87 E C -1.823 174.734 176.600 -0.072 0.000 0.881 87 E CA -0.601 55.765 56.400 -0.057 0.000 0.752 87 E CB 0.856 30.527 29.700 -0.048 0.000 1.176 87 E HN 0.100 nan 8.360 nan 0.000 0.421 88 D N 3.216 123.558 120.400 -0.097 0.000 2.420 88 D HA 0.185 4.825 4.640 0.000 0.000 0.255 88 D C -1.625 174.573 176.300 -0.170 0.000 1.185 88 D CA -0.278 53.648 54.000 -0.124 0.000 0.904 88 D CB 1.380 42.098 40.800 -0.137 0.000 1.102 88 D HN 0.213 nan 8.370 nan 0.000 0.534 89 S N 3.797 119.418 115.700 -0.132 0.000 2.437 89 S HA 0.550 5.020 4.470 0.000 0.000 0.305 89 S C -1.935 172.596 174.600 -0.116 0.000 1.109 89 S CA -1.559 56.559 58.200 -0.136 0.000 1.099 89 S CB 1.654 64.803 63.200 -0.084 0.000 1.004 89 S HN 0.226 nan 8.310 nan 0.000 0.475 90 P HA 0.292 nan 4.420 nan 0.000 0.211 90 P C 0.069 177.355 177.300 -0.022 0.000 1.188 90 P CA 0.727 63.795 63.100 -0.052 0.000 0.904 90 P CB 0.021 31.727 31.700 0.009 0.000 0.765 91 G N 0.015 108.819 108.800 0.006 0.000 3.224 91 G HA2 -0.137 3.823 3.960 0.000 0.000 0.684 91 G HA3 -0.137 3.823 3.960 0.000 0.000 0.684 91 G C 0.044 174.950 174.900 0.009 0.000 1.180 91 G CA -0.567 44.532 45.100 -0.001 0.000 1.099 91 G HN -0.050 nan 8.290 nan 0.000 0.476 92 N N 0.804 119.522 118.700 0.030 0.000 2.659 92 N HA -0.130 4.610 4.740 0.000 0.000 0.199 92 N C 1.543 177.058 175.510 0.008 0.000 1.116 92 N CA 1.564 54.633 53.050 0.032 0.000 0.940 92 N CB -0.036 38.472 38.487 0.036 0.000 0.962 92 N HN 0.854 nan 8.380 nan 0.000 0.451 93 N N -2.358 116.332 118.700 -0.017 0.000 2.299 93 N HA 0.111 4.851 4.740 0.000 0.000 0.246 93 N C -0.158 175.290 175.510 -0.103 0.000 1.254 93 N CA -0.026 53.005 53.050 -0.033 0.000 0.879 93 N CB 0.495 38.982 38.487 -0.000 0.000 1.214 93 N HN -0.120 nan 8.380 nan 0.000 0.510 94 T N 0.525 115.005 114.554 -0.124 0.000 3.091 94 T HA 0.347 4.697 4.350 0.000 0.000 0.277 94 T C 0.102 174.644 174.700 -0.263 0.000 0.996 94 T CA -0.034 61.937 62.100 -0.214 0.000 0.897 94 T CB 0.560 69.357 68.868 -0.119 0.000 1.109 94 T HN 0.114 nan 8.240 nan 0.000 0.534 95 L N 3.738 124.865 121.223 -0.159 0.000 2.388 95 L HA 0.412 4.752 4.340 0.000 0.000 0.267 95 L C -2.561 174.271 176.870 -0.064 0.000 0.995 95 L CA -2.249 52.543 54.840 -0.079 0.000 0.864 95 L CB 1.701 43.789 42.059 0.048 0.000 1.216 95 L HN -0.158 nan 8.230 nan 0.000 0.430 96 P HA 0.135 nan 4.420 nan 0.000 0.268 96 P C -0.593 176.732 177.300 0.041 0.000 1.205 96 P CA 0.023 63.118 63.100 -0.009 0.000 0.771 96 P CB 1.118 32.890 31.700 0.119 0.000 0.858 97 T N -0.740 113.840 114.554 0.044 0.000 2.916 97 T HA 0.322 4.672 4.350 0.000 0.000 0.292 97 T C -0.718 174.034 174.700 0.086 0.000 1.055 97 T CA -0.749 61.415 62.100 0.107 0.000 1.009 97 T CB 0.620 69.570 68.868 0.137 0.000 1.118 97 T HN 0.238 nan 8.240 nan 0.000 0.497 98 W N 2.519 123.916 121.300 0.162 0.000 2.505 98 W HA 0.323 4.983 4.660 0.000 0.000 0.332 98 W C 0.354 176.953 176.519 0.134 0.000 1.434 98 W CA 0.295 57.731 57.345 0.152 0.000 1.320 98 W CB 0.095 29.624 29.460 0.114 0.000 1.363 98 W HN 0.597 nan 8.180 nan 0.000 0.565 99 S N 5.598 121.457 115.700 0.265 0.000 2.499 99 S HA 0.712 5.182 4.470 0.000 0.000 0.279 99 S C -0.138 174.616 174.600 0.257 0.000 1.219 99 S CA -0.856 57.471 58.200 0.212 0.000 1.062 99 S CB 1.003 64.290 63.200 0.144 0.000 0.978 99 S HN 0.445 nan 8.310 nan 0.000 0.489 100 M N 1.084 120.781 119.600 0.161 0.000 3.008 100 M HA 0.955 5.435 4.480 0.000 0.000 0.271 100 M C -1.509 174.787 176.300 -0.007 0.000 1.265 100 M CA -0.780 54.582 55.300 0.104 0.000 0.817 100 M CB 0.984 33.671 32.600 0.145 0.000 1.638 100 M HN 0.745 nan 8.290 nan 0.000 0.479 101 A N 0.285 123.062 122.820 -0.072 0.000 2.544 101 A HA 0.780 5.100 4.320 0.000 0.000 0.291 101 A C -2.047 175.392 177.584 -0.241 0.000 1.055 101 A CA -0.764 51.182 52.037 -0.151 0.000 0.651 101 A CB 1.297 20.174 19.000 -0.204 0.000 1.296 101 A HN 1.100 nan 8.150 nan 0.000 0.431 102 K N 1.168 121.382 120.400 -0.311 0.000 2.345 102 K HA 0.622 4.942 4.320 0.000 0.000 0.255 102 K C -1.450 174.932 176.600 -0.363 0.000 0.934 102 K CA -0.683 55.304 56.287 -0.500 0.000 0.801 102 K CB 1.100 33.207 32.500 -0.654 0.000 1.137 102 K HN 0.503 nan 8.250 nan 0.000 0.424 103 L N 4.190 125.203 121.223 -0.350 0.000 2.260 103 L HA 0.239 4.579 4.340 0.000 0.000 0.289 103 L C -0.226 176.500 176.870 -0.241 0.000 1.057 103 L CA -0.155 54.529 54.840 -0.261 0.000 0.811 103 L CB 0.941 42.857 42.059 -0.238 0.000 1.184 103 L HN 0.767 nan 8.230 nan 0.000 0.429 104 Q N 3.373 123.058 119.800 -0.192 0.000 2.361 104 Q HA 0.339 4.679 4.340 0.000 0.000 0.250 104 Q C -0.771 175.153 176.000 -0.126 0.000 1.023 104 Q CA -0.094 55.624 55.803 -0.141 0.000 0.915 104 Q CB 0.734 29.410 28.738 -0.103 0.000 1.238 104 Q HN 0.429 nan 8.270 nan 0.000 0.451 105 L N 6.223 127.374 121.223 -0.120 0.000 2.488 105 L HA 0.573 4.913 4.340 0.000 0.000 0.249 105 L C -1.772 175.155 176.870 0.094 0.000 1.151 105 L CA -1.780 52.974 54.840 -0.143 0.000 0.806 105 L CB 0.249 42.019 42.059 -0.483 0.000 1.261 105 L HN 0.637 nan 8.230 nan 0.000 0.484 106 P HA 0.258 nan 4.420 nan 0.000 0.329 106 P C -1.018 176.466 177.300 0.306 0.000 1.319 106 P CA -0.464 62.800 63.100 0.272 0.000 0.742 106 P CB 0.492 32.380 31.700 0.312 0.000 1.564 107 M N -0.318 119.372 119.600 0.151 0.000 2.383 107 M HA 0.334 4.814 4.480 0.000 0.000 0.325 107 M C -0.853 175.405 176.300 -0.070 0.000 1.092 107 M CA -0.714 54.607 55.300 0.036 0.000 0.961 107 M CB 1.318 33.929 32.600 0.018 0.000 1.672 107 M HN 0.101 nan 8.290 nan 0.000 0.438 108 L N 1.837 122.932 121.223 -0.214 0.000 2.585 108 L HA 0.509 4.849 4.340 0.000 0.000 0.260 108 L C -0.089 176.640 176.870 -0.235 0.000 1.085 108 L CA -0.547 54.093 54.840 -0.334 0.000 0.913 108 L CB 0.621 42.286 42.059 -0.657 0.000 1.638 108 L HN 0.559 nan 8.230 nan 0.000 0.531 109 N N 0.010 118.540 118.700 -0.284 0.000 2.503 109 N HA 0.405 5.145 4.740 0.000 0.000 0.267 109 N C -0.801 174.674 175.510 -0.058 0.000 1.214 109 N CA -0.478 52.486 53.050 -0.144 0.000 0.959 109 N CB 0.456 38.889 38.487 -0.090 0.000 1.142 109 N HN 0.538 nan 8.380 nan 0.000 0.455 110 E N -0.833 119.422 120.200 0.091 0.000 2.359 110 E HA 0.476 4.826 4.350 0.000 0.000 0.266 110 E C -1.233 175.494 176.600 0.211 0.000 0.920 110 E CA -0.769 55.733 56.400 0.171 0.000 0.788 110 E CB 1.816 31.568 29.700 0.087 0.000 1.279 110 E HN 0.344 nan 8.360 nan 0.000 0.438 111 D N 2.021 122.526 120.400 0.174 0.000 3.404 111 D HA 0.057 4.697 4.640 0.000 0.000 0.329 111 D C 0.746 177.072 176.300 0.043 0.000 1.421 111 D CA -0.078 53.971 54.000 0.082 0.000 0.742 111 D CB 0.454 41.260 40.800 0.010 0.000 1.290 111 D HN 0.442 nan 8.370 nan 0.000 0.600 112 L N -0.763 120.493 121.223 0.055 0.000 2.369 112 L HA -0.104 4.236 4.340 0.000 0.000 0.220 112 L C 1.866 178.747 176.870 0.019 0.000 1.119 112 L CA 1.651 56.515 54.840 0.041 0.000 0.780 112 L CB -2.253 39.829 42.059 0.039 0.000 0.906 112 L HN 0.030 nan 8.230 nan 0.000 0.442 113 T N -1.471 113.089 114.554 0.009 0.000 2.508 113 T HA -0.226 4.124 4.350 0.000 0.000 0.249 113 T C 1.139 175.827 174.700 -0.021 0.000 1.173 113 T CA 1.043 63.140 62.100 -0.005 0.000 1.275 113 T CB -1.092 67.771 68.868 -0.009 0.000 0.883 113 T HN 0.474 nan 8.240 nan 0.000 0.394 114 C N 3.780 123.054 119.300 -0.043 0.000 2.645 114 C HA 0.302 4.762 4.460 0.000 0.000 0.451 114 C C 0.526 175.470 174.990 -0.077 0.000 1.018 114 C CA -1.356 57.619 59.018 -0.070 0.000 1.180 114 C CB -2.924 24.752 27.740 -0.107 0.000 1.563 114 C HN 0.613 nan 8.230 nan 0.000 0.551 115 D N 3.464 123.841 120.400 -0.039 0.000 3.264 115 D HA 0.118 4.758 4.640 0.000 0.000 0.213 115 D C 0.312 176.595 176.300 -0.029 0.000 1.112 115 D CA 1.835 55.825 54.000 -0.016 0.000 0.777 115 D CB 0.486 41.287 40.800 0.002 0.000 1.156 115 D HN 0.790 nan 8.370 nan 0.000 0.556 116 T N 2.989 117.554 114.554 0.020 0.000 2.800 116 T HA 0.387 4.737 4.350 0.000 0.000 0.327 116 T C -2.273 172.584 174.700 0.261 0.000 1.838 116 T CA -0.932 61.210 62.100 0.070 0.000 1.024 116 T CB 0.229 69.004 68.868 -0.154 0.000 1.755 116 T HN 0.357 nan 8.240 nan 0.000 0.507 117 L N 2.614 124.097 121.223 0.433 0.000 2.526 117 L HA 0.568 4.908 4.340 0.000 0.000 0.263 117 L C -1.211 175.835 176.870 0.293 0.000 0.943 117 L CA -0.579 54.480 54.840 0.365 0.000 0.859 117 L CB 2.057 44.217 42.059 0.169 0.000 1.313 117 L HN 0.890 nan 8.230 nan 0.000 0.406 118 Q N 5.268 124.904 119.800 -0.274 0.000 2.278 118 Q HA 0.636 4.976 4.340 0.000 0.000 0.257 118 Q C -1.256 174.439 176.000 -0.507 0.000 0.928 118 Q CA -0.547 54.755 55.803 -0.834 0.000 0.932 118 Q CB 1.494 29.177 28.738 -1.757 0.000 1.221 118 Q HN 0.736 nan 8.270 nan 0.000 0.434 119 M N 1.293 120.661 119.600 -0.385 0.000 2.667 119 M HA 0.479 4.959 4.480 0.000 0.000 0.286 119 M C -1.286 174.848 176.300 -0.278 0.000 1.270 119 M CA -1.006 54.100 55.300 -0.323 0.000 0.826 119 M CB 1.431 33.969 32.600 -0.103 0.000 1.743 119 M HN 0.433 nan 8.290 nan 0.000 0.460 120 W N 1.408 122.680 121.300 -0.048 0.000 2.381 120 W HA 0.266 4.926 4.660 0.000 0.000 0.321 120 W C 0.127 176.643 176.519 -0.004 0.000 1.407 120 W CA 0.231 57.559 57.345 -0.028 0.000 1.274 120 W CB 0.393 29.847 29.460 -0.011 0.000 1.310 120 W HN 0.531 nan 8.180 nan 0.000 0.551 121 E N 3.121 123.529 120.200 0.347 0.000 2.216 121 E HA 0.479 4.829 4.350 0.000 0.000 0.260 121 E C -0.746 175.959 176.600 0.174 0.000 0.880 121 E CA -0.710 55.810 56.400 0.200 0.000 0.765 121 E CB 1.141 30.918 29.700 0.127 0.000 1.174 121 E HN 0.482 nan 8.360 nan 0.000 0.417 122 A N 3.455 126.361 122.820 0.142 0.000 2.440 122 A HA 0.308 4.628 4.320 0.000 0.000 0.251 122 A C 0.428 178.079 177.584 0.111 0.000 1.089 122 A CA -0.241 51.867 52.037 0.118 0.000 0.779 122 A CB 0.945 20.019 19.000 0.123 0.000 1.022 122 A HN 0.529 nan 8.150 nan 0.000 0.492 123 V N 1.655 121.630 119.914 0.102 0.000 3.001 123 V HA 0.160 4.280 4.120 0.000 0.000 0.228 123 V C 1.082 177.232 176.094 0.093 0.000 1.204 123 V CA 1.463 63.818 62.300 0.092 0.000 1.247 123 V CB 0.089 31.961 31.823 0.082 0.000 1.093 123 V HN 1.076 nan 8.190 nan 0.000 0.504 124 S N -0.881 114.872 115.700 0.088 0.000 2.732 124 S HA 0.831 5.301 4.470 0.000 0.000 0.293 124 S C -1.147 173.508 174.600 0.091 0.000 1.159 124 S CA -0.427 57.824 58.200 0.084 0.000 0.847 124 S CB 2.273 65.510 63.200 0.061 0.000 1.169 124 S HN 0.758 nan 8.310 nan 0.000 0.501 125 V N 0.650 120.611 119.914 0.080 0.000 2.839 125 V HA 0.422 4.542 4.120 0.000 0.000 0.284 125 V C -1.968 174.144 176.094 0.030 0.000 1.397 125 V CA -0.578 61.770 62.300 0.080 0.000 0.938 125 V CB 1.634 33.550 31.823 0.153 0.000 1.112 125 V HN 1.023 nan 8.190 nan 0.000 0.443 126 K N 3.527 123.946 120.400 0.032 0.000 2.118 126 K HA 0.769 5.089 4.320 0.000 0.000 0.267 126 K C -0.441 176.144 176.600 -0.024 0.000 0.991 126 K CA -0.448 55.849 56.287 0.015 0.000 0.916 126 K CB 2.009 34.568 32.500 0.098 0.000 1.041 126 K HN 0.730 nan 8.250 nan 0.000 0.455 127 T N 0.778 115.235 114.554 -0.161 0.000 2.841 127 T HA 0.356 4.706 4.350 0.000 0.000 0.296 127 T C -1.906 172.653 174.700 -0.234 0.000 1.166 127 T CA -0.645 61.266 62.100 -0.314 0.000 1.007 127 T CB 1.566 69.877 68.868 -0.928 0.000 1.253 127 T HN 0.690 nan 8.240 nan 0.000 0.511 128 E N 1.197 121.269 120.200 -0.213 0.000 2.422 128 E HA 0.467 4.817 4.350 0.000 0.000 0.289 128 E C -1.911 174.594 176.600 -0.159 0.000 0.985 128 E CA -0.580 55.700 56.400 -0.201 0.000 0.812 128 E CB 1.800 31.386 29.700 -0.189 0.000 1.226 128 E HN 0.422 nan 8.360 nan 0.000 0.419 129 V N 3.699 123.491 119.914 -0.204 0.000 2.427 129 V HA 0.425 4.545 4.120 0.000 0.000 0.286 129 V C 0.058 176.069 176.094 -0.138 0.000 1.034 129 V CA -0.533 61.664 62.300 -0.172 0.000 0.893 129 V CB 1.293 32.947 31.823 -0.283 0.000 0.982 129 V HN 0.463 nan 8.190 nan 0.000 0.452 130 V N 1.630 121.520 119.914 -0.040 0.000 2.769 130 V HA 1.002 5.122 4.120 0.000 0.000 0.312 130 V C 0.871 176.993 176.094 0.048 0.000 1.058 130 V CA -0.081 62.258 62.300 0.065 0.000 0.952 130 V CB 1.029 32.892 31.823 0.068 0.000 1.019 130 V HN 1.259 nan 8.190 nan 0.000 0.445 131 G N 1.873 110.791 108.800 0.196 0.000 2.131 131 G HA2 -0.212 3.748 3.960 0.000 0.000 0.201 131 G HA3 -0.212 3.748 3.960 0.000 0.000 0.201 131 G C 0.588 175.531 174.900 0.072 0.000 1.000 131 G CA 0.216 45.391 45.100 0.125 0.000 0.680 131 G HN 0.975 nan 8.290 nan 0.000 0.514 132 S N -0.195 115.523 115.700 0.029 0.000 2.442 132 S HA 0.042 4.512 4.470 0.000 0.000 0.236 132 S C 2.504 177.139 174.600 0.058 0.000 1.007 132 S CA 1.597 59.711 58.200 -0.143 0.000 0.965 132 S CB -0.174 62.660 63.200 -0.611 0.000 0.773 132 S HN 1.294 nan 8.310 nan 0.000 0.504 133 G N 1.314 110.258 108.800 0.241 0.000 2.448 133 G HA2 -0.197 3.763 3.960 0.000 0.000 0.219 133 G HA3 -0.197 3.763 3.960 0.000 0.000 0.219 133 G C 1.456 176.400 174.900 0.074 0.000 1.127 133 G CA 1.021 46.218 45.100 0.160 0.000 0.766 133 G HN 0.560 nan 8.290 nan 0.000 0.552 134 S N 0.172 115.905 115.700 0.054 0.000 2.400 134 S HA -0.067 4.403 4.470 0.000 0.000 0.232 134 S C 1.909 176.523 174.600 0.024 0.000 1.025 134 S CA 0.669 58.884 58.200 0.026 0.000 0.993 134 S CB -0.179 63.015 63.200 -0.011 0.000 0.808 134 S HN 0.084 nan 8.310 nan 0.000 0.478 135 L N 1.732 122.966 121.223 0.018 0.000 2.713 135 L HA 0.251 4.591 4.340 0.000 0.000 0.245 135 L C 1.162 178.044 176.870 0.020 0.000 1.169 135 L CA 0.692 55.544 54.840 0.019 0.000 0.962 135 L CB -1.514 40.545 42.059 -0.000 0.000 1.161 135 L HN 0.431 nan 8.230 nan 0.000 0.427 136 L N -1.308 119.928 121.223 0.022 0.000 2.638 136 L HA 0.162 4.502 4.340 0.000 0.000 0.232 136 L C 0.955 177.822 176.870 -0.006 0.000 1.099 136 L CA -0.046 54.807 54.840 0.020 0.000 0.883 136 L CB 0.363 42.444 42.059 0.036 0.000 1.136 136 L HN 0.231 nan 8.230 nan 0.000 0.492 137 D N 1.630 122.000 120.400 -0.050 0.000 2.371 137 D HA 0.070 4.710 4.640 0.000 0.000 0.256 137 D C 0.456 176.608 176.300 -0.248 0.000 1.193 137 D CA 0.104 53.965 54.000 -0.231 0.000 0.881 137 D CB 1.874 42.542 40.800 -0.221 0.000 1.143 137 D HN 0.026 nan 8.370 nan 0.000 0.473 138 V N 2.725 122.463 119.914 -0.293 0.000 3.070 138 V HA 0.187 4.307 4.120 0.000 0.000 0.345 138 V C 0.707 176.790 176.094 -0.018 0.000 1.403 138 V CA -0.515 61.733 62.300 -0.087 0.000 1.155 138 V CB -0.542 31.296 31.823 0.025 0.000 1.140 138 V HN 0.562 nan 8.190 nan 0.000 0.505 139 H N 0.900 119.993 119.070 0.038 0.000 3.542 139 H HA 0.778 5.334 4.556 0.000 0.000 0.159 139 H C 1.019 176.348 175.328 0.001 0.000 1.583 139 H CA -0.109 55.936 56.048 -0.004 0.000 1.628 139 H CB -0.352 29.391 29.762 -0.031 0.000 0.792 139 H HN 0.553 nan 8.280 nan 0.000 0.810 140 G N 0.055 108.908 108.800 0.089 0.000 2.804 140 G HA2 -0.261 3.699 3.960 0.000 0.000 0.230 140 G HA3 -0.261 3.699 3.960 0.000 0.000 0.230 140 G C -1.069 173.842 174.900 0.019 0.000 1.386 140 G CA -0.046 45.069 45.100 0.026 0.000 0.875 140 G HN 0.442 nan 8.290 nan 0.000 0.557 141 F N 2.493 122.473 119.950 0.050 0.000 2.309 141 F HA 0.495 5.022 4.527 0.000 0.000 0.366 141 F C 0.585 176.396 175.800 0.019 0.000 1.104 141 F CA -1.504 56.517 58.000 0.036 0.000 1.179 141 F CB 0.343 39.364 39.000 0.035 0.000 1.437 141 F HN 0.451 nan 8.300 nan 0.000 0.528 142 N N 2.105 121.062 118.700 0.429 0.000 2.265 142 N HA 0.287 5.027 4.740 0.000 0.000 0.300 142 N C -0.907 174.691 175.510 0.146 0.000 1.148 142 N CA -1.070 52.087 53.050 0.179 0.000 0.772 142 N CB 1.729 40.296 38.487 0.134 0.000 1.434 142 N HN 0.210 nan 8.380 nan 0.000 0.481 143 K N 1.124 121.544 120.400 0.032 0.000 2.530 143 K HA 0.005 4.325 4.320 0.000 0.000 0.280 143 K C -2.304 174.336 176.600 0.068 0.000 1.004 143 K CA -0.401 55.886 56.287 -0.000 0.000 1.071 143 K CB 0.197 32.693 32.500 -0.007 0.000 0.876 143 K HN 0.322 nan 8.250 nan 0.000 0.487 144 P HA 0.115 nan 4.420 nan 0.000 0.279 144 P C 0.363 177.707 177.300 0.075 0.000 1.276 144 P CA -0.508 62.660 63.100 0.114 0.000 0.801 144 P CB 0.784 32.572 31.700 0.148 0.000 1.127 145 T N -1.472 113.127 114.554 0.075 0.000 2.607 145 T HA -0.188 4.162 4.350 0.000 0.000 0.267 145 T C 0.538 175.266 174.700 0.048 0.000 1.049 145 T CA 1.814 63.948 62.100 0.057 0.000 1.162 145 T CB -0.841 68.059 68.868 0.054 0.000 0.863 145 T HN 0.572 nan 8.240 nan 0.000 0.424 146 D N 0.815 121.244 120.400 0.048 0.000 2.233 146 D HA 0.296 4.936 4.640 0.000 0.000 0.240 146 D C 1.140 177.462 176.300 0.036 0.000 1.074 146 D CA -0.142 53.881 54.000 0.038 0.000 0.838 146 D CB 1.478 42.299 40.800 0.036 0.000 1.124 146 D HN 0.179 nan 8.370 nan 0.000 0.475 147 T N 0.379 114.947 114.554 0.023 0.000 2.983 147 T HA -0.034 4.316 4.350 0.000 0.000 0.250 147 T C 1.899 176.602 174.700 0.005 0.000 1.037 147 T CA 0.673 62.778 62.100 0.008 0.000 1.142 147 T CB -0.509 68.358 68.868 -0.001 0.000 0.876 147 T HN 0.232 nan 8.240 nan 0.000 0.455 148 V N 3.719 123.638 119.914 0.009 0.000 2.227 148 V HA -0.275 3.845 4.120 0.000 0.000 0.249 148 V C 2.386 178.486 176.094 0.011 0.000 1.046 148 V CA 2.297 64.601 62.300 0.007 0.000 1.015 148 V CB -0.818 31.012 31.823 0.010 0.000 0.648 148 V HN 0.547 nan 8.190 nan 0.000 0.460 149 N N -0.761 117.950 118.700 0.019 0.000 2.571 149 N HA -0.057 4.684 4.740 0.000 0.000 0.189 149 N C 0.634 176.167 175.510 0.037 0.000 1.154 149 N CA 0.972 54.037 53.050 0.025 0.000 0.907 149 N CB -0.103 38.399 38.487 0.026 0.000 0.977 149 N HN 0.659 nan 8.380 nan 0.000 0.449 150 T N 0.325 114.902 114.554 0.038 0.000 3.886 150 T HA -0.164 4.186 4.350 0.000 0.000 0.371 150 T C 0.111 174.866 174.700 0.092 0.000 0.760 150 T CA 1.148 63.285 62.100 0.061 0.000 1.966 150 T CB -0.778 68.130 68.868 0.067 0.000 1.793 150 T HN 0.256 nan 8.240 nan 0.000 0.798 151 K N -0.736 119.708 120.400 0.074 0.000 2.261 151 K HA 0.903 5.223 4.320 0.000 0.000 0.242 151 K C 1.068 177.712 176.600 0.075 0.000 1.083 151 K CA 0.381 56.713 56.287 0.075 0.000 0.880 151 K CB 1.408 33.940 32.500 0.053 0.000 1.353 151 K HN 0.414 nan 8.250 nan 0.000 0.486 152 G N -0.162 108.678 108.800 0.066 0.000 2.955 152 G HA2 -0.074 3.886 3.960 0.000 0.000 0.230 152 G HA3 -0.074 3.886 3.960 0.000 0.000 0.230 152 G C -1.112 173.830 174.900 0.071 0.000 1.587 152 G CA -0.135 45.003 45.100 0.063 0.000 1.216 152 G HN 0.391 nan 8.290 nan 0.000 0.527 153 I N 0.590 121.210 120.570 0.083 0.000 2.827 153 I HA 0.518 4.688 4.170 0.000 0.000 0.298 153 I C -0.228 175.955 176.117 0.108 0.000 1.235 153 I CA -0.551 60.803 61.300 0.090 0.000 1.021 153 I CB 1.873 39.916 38.000 0.073 0.000 1.259 153 I HN 0.391 nan 8.210 nan 0.000 0.427 154 S N 2.981 118.752 115.700 0.119 0.000 3.072 154 S HA 0.137 4.607 4.470 0.000 0.000 0.306 154 S C 0.132 174.795 174.600 0.105 0.000 1.207 154 S CA -0.082 58.208 58.200 0.150 0.000 1.008 154 S CB -0.491 62.817 63.200 0.180 0.000 1.390 154 S HN 0.630 nan 8.310 nan 0.000 0.523 155 T N 7.215 121.826 114.554 0.096 0.000 2.288 155 T HA -0.077 4.273 4.350 0.000 0.000 0.190 155 T C -1.655 173.094 174.700 0.080 0.000 1.069 155 T CA -0.168 61.980 62.100 0.081 0.000 1.315 155 T CB -0.297 68.619 68.868 0.081 0.000 1.007 155 T HN 0.483 nan 8.240 nan 0.000 0.447 156 P HA 0.119 nan 4.420 nan 0.000 0.274 156 P C -0.033 177.313 177.300 0.077 0.000 1.264 156 P CA -0.511 62.628 63.100 0.064 0.000 0.795 156 P CB 0.432 32.156 31.700 0.041 0.000 1.064 157 V N -0.289 119.671 119.914 0.075 0.000 2.843 157 V HA 0.162 4.282 4.120 0.000 0.000 0.305 157 V C 0.804 176.901 176.094 0.005 0.000 1.065 157 V CA 0.596 62.938 62.300 0.070 0.000 1.116 157 V CB -0.471 31.387 31.823 0.058 0.000 0.968 157 V HN 0.574 nan 8.190 nan 0.000 0.487 158 E N 0.720 120.897 120.200 -0.038 0.000 2.429 158 E HA 0.633 4.983 4.350 0.000 0.000 0.280 158 E C -0.231 176.183 176.600 -0.311 0.000 1.068 158 E CA -0.257 56.078 56.400 -0.108 0.000 0.837 158 E CB 2.462 32.154 29.700 -0.014 0.000 1.357 158 E HN 1.163 nan 8.360 nan 0.000 0.455 159 G N 0.392 108.955 108.800 -0.395 0.000 2.408 159 G HA2 -0.110 3.850 3.960 0.000 0.000 0.682 159 G HA3 -0.110 3.850 3.960 0.000 0.000 0.682 159 G C -0.676 173.762 174.900 -0.771 0.000 1.303 159 G CA -0.556 44.095 45.100 -0.747 0.000 0.966 159 G HN 0.384 nan 8.290 nan 0.000 0.560 160 S N 0.931 116.140 115.700 -0.818 0.000 2.558 160 S HA 0.407 4.877 4.470 0.000 0.000 0.291 160 S C 0.524 174.729 174.600 -0.659 0.000 1.306 160 S CA 0.772 58.633 58.200 -0.565 0.000 1.056 160 S CB 0.456 63.542 63.200 -0.190 0.000 0.836 160 S HN 0.711 nan 8.310 nan 0.000 0.504 161 Q N 1.576 121.120 119.800 -0.427 0.000 2.413 161 Q HA 0.685 5.025 4.340 0.000 0.000 0.276 161 Q C -1.577 174.305 176.000 -0.198 0.000 1.099 161 Q CA -0.933 54.656 55.803 -0.358 0.000 0.814 161 Q CB 2.121 30.683 28.738 -0.293 0.000 1.379 161 Q HN 0.674 nan 8.270 nan 0.000 0.436 162 Y N 0.690 120.671 120.300 -0.531 0.000 2.390 162 Y HA 0.339 4.889 4.550 0.000 0.000 0.324 162 Y C -1.849 173.656 175.900 -0.658 0.000 1.151 162 Y CA -0.484 57.379 58.100 -0.394 0.000 1.053 162 Y CB 1.659 40.060 38.460 -0.099 0.000 1.277 162 Y HN 0.753 nan 8.280 nan 0.000 0.432 163 H N 4.753 123.843 119.070 0.033 0.000 2.771 163 H HA 0.868 5.424 4.556 0.000 0.000 0.361 163 H C -1.374 173.945 175.328 -0.015 0.000 1.108 163 H CA -0.863 55.214 56.048 0.048 0.000 1.201 163 H CB 2.161 31.942 29.762 0.033 0.000 1.681 163 H HN 0.513 nan 8.280 nan 0.000 0.534 164 V N 2.851 122.917 119.914 0.254 0.000 3.167 164 V HA 0.435 4.555 4.120 0.000 0.000 0.293 164 V C -1.257 175.201 176.094 0.607 0.000 1.379 164 V CA -0.995 61.513 62.300 0.346 0.000 1.019 164 V CB 2.660 34.622 31.823 0.231 0.000 1.115 164 V HN 0.791 nan 8.190 nan 0.000 0.442 165 F N 0.512 120.748 119.950 0.477 0.000 2.926 165 F HA 1.019 5.546 4.527 0.000 0.000 0.321 165 F C -0.833 175.306 175.800 0.566 0.000 1.168 165 F CA -0.641 57.681 58.000 0.537 0.000 0.890 165 F CB 1.190 40.441 39.000 0.419 0.000 1.357 165 F HN 1.190 nan 8.300 nan 0.000 0.468 166 A N 0.514 123.546 122.820 0.354 0.000 2.599 166 A HA 0.665 4.985 4.320 0.000 0.000 0.294 166 A C -2.455 175.380 177.584 0.419 0.000 1.055 166 A CA -0.603 51.534 52.037 0.165 0.000 0.683 166 A CB 1.372 20.432 19.000 0.100 0.000 1.278 166 A HN 1.333 nan 8.150 nan 0.000 0.412 167 V N 1.694 121.814 119.914 0.343 0.000 2.350 167 V HA 0.706 4.826 4.120 0.000 0.000 0.285 167 V C 0.703 176.919 176.094 0.202 0.000 1.014 167 V CA 0.401 62.904 62.300 0.337 0.000 0.831 167 V CB 1.270 33.315 31.823 0.371 0.000 1.000 167 V HN 1.439 nan 8.190 nan 0.000 0.433 168 G N 2.627 111.534 108.800 0.177 0.000 2.568 168 G HA2 0.591 4.551 3.960 0.000 0.000 0.313 168 G HA3 0.591 4.551 3.960 0.000 0.000 0.313 168 G C 0.387 175.373 174.900 0.144 0.000 1.227 168 G CA -0.171 44.987 45.100 0.096 0.000 0.979 168 G HN 0.838 nan 8.290 nan 0.000 0.486 169 G N -0.934 107.896 108.800 0.050 0.000 3.774 169 G HA2 0.531 4.491 3.960 0.000 0.000 0.287 169 G HA3 0.531 4.491 3.960 0.000 0.000 0.287 169 G C 0.054 174.899 174.900 -0.092 0.000 1.030 169 G CA 0.219 45.381 45.100 0.104 0.000 0.824 169 G HN 0.896 nan 8.290 nan 0.000 0.518 170 E N -0.616 119.251 120.200 -0.554 0.000 2.389 170 E HA 0.227 4.577 4.350 0.000 0.000 0.281 170 E C -3.280 172.580 176.600 -1.234 0.000 1.111 170 E CA -1.634 54.128 56.400 -1.064 0.000 0.869 170 E CB 0.945 30.377 29.700 -0.447 0.000 1.259 170 E HN -0.038 nan 8.360 nan 0.000 0.434 171 P HA -0.076 nan 4.420 nan 0.000 0.269 171 P C -0.007 177.066 177.300 -0.378 0.000 1.211 171 P CA -0.330 62.443 63.100 -0.545 0.000 0.781 171 P CB 0.676 32.197 31.700 -0.298 0.000 0.877 172 L N 2.370 123.410 121.223 -0.305 0.000 2.360 172 L HA 0.149 4.489 4.340 0.000 0.000 0.276 172 L C -0.483 176.144 176.870 -0.405 0.000 1.121 172 L CA -0.079 54.553 54.840 -0.346 0.000 0.845 172 L CB 0.065 41.885 42.059 -0.400 0.000 1.143 172 L HN 0.314 nan 8.230 nan 0.000 0.452 173 D N 5.662 125.861 120.400 -0.335 0.000 2.312 173 D HA 0.470 5.110 4.640 0.000 0.000 0.252 173 D C -0.488 175.624 176.300 -0.313 0.000 1.150 173 D CA -0.042 53.782 54.000 -0.293 0.000 0.870 173 D CB 1.161 41.843 40.800 -0.197 0.000 1.153 173 D HN 0.293 nan 8.370 nan 0.000 0.457 174 L N 0.098 121.145 121.223 -0.294 0.000 2.309 174 L HA 0.630 4.970 4.340 0.000 0.000 0.261 174 L C -0.489 176.415 176.870 0.057 0.000 1.021 174 L CA -1.063 53.664 54.840 -0.188 0.000 0.823 174 L CB 0.979 42.853 42.059 -0.308 0.000 1.366 174 L HN 0.186 nan 8.230 nan 0.000 0.423 175 Q N -0.148 119.764 119.800 0.186 0.000 2.372 175 Q HA 0.735 5.075 4.340 0.000 0.000 0.273 175 Q C -1.066 175.132 176.000 0.330 0.000 1.078 175 Q CA -0.484 55.471 55.803 0.253 0.000 0.806 175 Q CB 2.698 31.512 28.738 0.127 0.000 1.332 175 Q HN 1.037 nan 8.270 nan 0.000 0.435 176 G N 2.252 111.121 108.800 0.114 0.000 2.432 176 G HA2 0.766 4.726 3.960 0.000 0.000 0.331 176 G HA3 0.766 4.726 3.960 0.000 0.000 0.331 176 G C -1.199 173.654 174.900 -0.078 0.000 1.170 176 G CA -0.362 44.623 45.100 -0.191 0.000 0.943 176 G HN 0.486 nan 8.290 nan 0.000 0.483 177 L N 0.525 121.780 121.223 0.054 0.000 2.466 177 L HA 0.696 5.036 4.340 0.000 0.000 0.258 177 L C -0.713 176.180 176.870 0.038 0.000 0.973 177 L CA -0.955 53.882 54.840 -0.005 0.000 0.826 177 L CB 2.329 44.348 42.059 -0.066 0.000 1.372 177 L HN 0.481 nan 8.230 nan 0.000 0.409 178 V N -0.071 119.835 119.914 -0.012 0.000 3.165 178 V HA 0.540 4.660 4.120 0.000 0.000 0.309 178 V C 0.358 176.459 176.094 0.012 0.000 1.267 178 V CA 0.099 62.409 62.300 0.017 0.000 1.067 178 V CB 2.633 34.471 31.823 0.026 0.000 1.082 178 V HN 0.977 nan 8.190 nan 0.000 0.451 179 T N -0.666 113.905 114.554 0.027 0.000 3.595 179 T HA 0.122 4.472 4.350 0.000 0.000 0.185 179 T C 0.067 174.772 174.700 0.009 0.000 0.714 179 T CA 0.083 62.190 62.100 0.011 0.000 2.571 179 T CB -0.345 68.531 68.868 0.013 0.000 2.075 179 T HN 0.634 nan 8.240 nan 0.000 0.333 180 D N 1.718 122.119 120.400 0.002 0.000 2.389 180 D HA 0.373 5.013 4.640 0.000 0.000 0.263 180 D C 1.229 177.528 176.300 -0.001 0.000 1.255 180 D CA 0.216 54.209 54.000 -0.012 0.000 0.914 180 D CB 1.056 41.836 40.800 -0.034 0.000 1.116 180 D HN 0.549 nan 8.370 nan 0.000 0.502 181 A N 5.623 128.445 122.820 0.002 0.000 1.873 181 A HA -0.305 4.015 4.320 0.000 0.000 0.218 181 A C 2.103 179.694 177.584 0.012 0.000 1.193 181 A CA 1.933 53.978 52.037 0.014 0.000 0.629 181 A CB -0.358 18.645 19.000 0.004 0.000 0.826 181 A HN 0.753 nan 8.150 nan 0.000 0.447 182 R N -0.569 119.923 120.500 -0.013 0.000 2.196 182 R HA -0.180 4.160 4.340 0.000 0.000 0.244 182 R C 0.467 176.724 176.300 -0.072 0.000 1.121 182 R CA 1.555 57.636 56.100 -0.033 0.000 0.930 182 R CB -2.663 27.611 30.300 -0.043 0.000 0.890 182 R HN 0.303 nan 8.270 nan 0.000 0.435 183 T N 2.296 116.770 114.554 -0.134 0.000 2.138 183 T HA -0.097 4.253 4.350 0.000 0.000 0.288 183 T C -0.158 174.282 174.700 -0.433 0.000 1.065 183 T CA 1.062 62.963 62.100 -0.332 0.000 2.653 183 T CB -0.197 68.387 68.868 -0.472 0.000 0.963 183 T HN 0.262 nan 8.240 nan 0.000 0.355 184 K N 3.553 123.749 120.400 -0.340 0.000 2.054 184 K HA 0.188 4.508 4.320 0.000 0.000 0.242 184 K C -0.280 176.161 176.600 -0.265 0.000 1.157 184 K CA 0.137 56.291 56.287 -0.222 0.000 1.079 184 K CB -0.288 32.132 32.500 -0.133 0.000 1.331 184 K HN 0.473 nan 8.250 nan 0.000 0.317 185 Y N 1.432 121.731 120.300 -0.003 0.000 2.359 185 Y HA 0.099 4.649 4.550 0.000 0.000 0.334 185 Y C 0.370 176.274 175.900 0.006 0.000 1.058 185 Y CA -0.823 57.279 58.100 0.004 0.000 1.244 185 Y CB 0.623 39.089 38.460 0.010 0.000 1.187 185 Y HN 0.188 nan 8.280 nan 0.000 0.510 186 K N 2.535 123.030 120.400 0.159 0.000 2.419 186 K HA -0.022 4.298 4.320 0.000 0.000 0.282 186 K C 0.629 177.290 176.600 0.101 0.000 1.056 186 K CA 0.092 56.433 56.287 0.090 0.000 1.035 186 K CB -0.079 32.460 32.500 0.065 0.000 0.921 186 K HN 0.655 nan 8.250 nan 0.000 0.472 187 E N 1.813 122.060 120.200 0.078 0.000 2.405 187 E HA -0.097 4.253 4.350 0.000 0.000 0.194 187 E C -0.459 176.165 176.600 0.040 0.000 1.149 187 E CA 0.162 56.602 56.400 0.067 0.000 0.933 187 E CB -0.081 29.655 29.700 0.060 0.000 1.028 187 E HN 0.572 nan 8.360 nan 0.000 0.487 188 E N -0.575 119.646 120.200 0.035 0.000 2.291 188 E HA 0.391 4.741 4.350 0.000 0.000 0.276 188 E C -0.300 176.309 176.600 0.014 0.000 0.896 188 E CA -0.126 56.284 56.400 0.017 0.000 0.774 188 E CB 1.385 31.093 29.700 0.013 0.000 1.227 188 E HN 0.200 nan 8.360 nan 0.000 0.413 189 G N 1.996 110.794 108.800 -0.002 0.000 2.135 189 G HA2 -0.067 3.893 3.960 0.000 0.000 0.183 189 G HA3 -0.067 3.893 3.960 0.000 0.000 0.183 189 G C -0.603 174.290 174.900 -0.011 0.000 1.004 189 G CA -0.127 44.970 45.100 -0.004 0.000 0.677 189 G HN 1.172 nan 8.290 nan 0.000 0.512 190 V N -1.239 118.655 119.914 -0.034 0.000 2.901 190 V HA 0.508 4.628 4.120 0.000 0.000 0.257 190 V C -0.802 175.240 176.094 -0.088 0.000 1.709 190 V CA -0.224 62.042 62.300 -0.056 0.000 0.926 190 V CB 1.844 33.670 31.823 0.004 0.000 1.291 190 V HN 1.148 nan 8.190 nan 0.000 0.460 191 V N 5.128 124.921 119.914 -0.201 0.000 2.432 191 V HA 0.711 4.831 4.120 0.000 0.000 0.271 191 V C 0.600 176.797 176.094 0.173 0.000 1.046 191 V CA 0.363 62.558 62.300 -0.176 0.000 0.945 191 V CB 0.582 31.976 31.823 -0.716 0.000 0.992 191 V HN 1.029 nan 8.190 nan 0.000 0.471 192 T N 3.061 117.725 114.554 0.184 0.000 2.910 192 T HA 0.584 4.934 4.350 0.000 0.000 0.287 192 T C 1.227 176.081 174.700 0.256 0.000 1.050 192 T CA -0.632 61.557 62.100 0.149 0.000 1.011 192 T CB 1.695 70.543 68.868 -0.034 0.000 1.195 192 T HN 0.312 nan 8.240 nan 0.000 0.540 193 I N 0.658 121.257 120.570 0.050 0.000 2.113 193 I HA -0.273 3.897 4.170 0.000 0.000 0.242 193 I C 2.505 178.693 176.117 0.118 0.000 1.064 193 I CA 1.517 62.846 61.300 0.050 0.000 1.320 193 I CB -1.108 36.838 38.000 -0.090 0.000 1.028 193 I HN 0.623 nan 8.210 nan 0.000 0.406 194 K N 0.908 121.360 120.400 0.087 0.000 2.097 194 K HA -0.051 4.269 4.320 0.000 0.000 0.205 194 K C 1.837 178.489 176.600 0.088 0.000 1.050 194 K CA 1.955 58.290 56.287 0.080 0.000 0.938 194 K CB -1.931 30.612 32.500 0.072 0.000 0.718 194 K HN 0.388 nan 8.250 nan 0.000 0.442 195 T N 1.295 115.908 114.554 0.099 0.000 2.918 195 T HA -0.108 4.242 4.350 0.000 0.000 0.271 195 T C 1.690 176.444 174.700 0.090 0.000 1.104 195 T CA 1.421 63.568 62.100 0.079 0.000 1.114 195 T CB -0.116 68.791 68.868 0.064 0.000 0.855 195 T HN 0.285 nan 8.240 nan 0.000 0.518 196 I N -0.410 120.246 120.570 0.143 0.000 3.518 196 I HA 0.266 4.436 4.170 0.000 0.000 0.260 196 I C 0.816 176.999 176.117 0.108 0.000 1.148 196 I CA 0.538 61.919 61.300 0.135 0.000 1.440 196 I CB 0.196 38.321 38.000 0.209 0.000 1.485 196 I HN -0.032 nan 8.210 nan 0.000 0.456 197 T N 2.018 116.644 114.554 0.120 0.000 2.737 197 T HA 0.135 4.485 4.350 0.000 0.000 0.296 197 T C 1.079 175.819 174.700 0.066 0.000 0.922 197 T CA -0.463 61.687 62.100 0.082 0.000 1.079 197 T CB 0.298 69.211 68.868 0.074 0.000 0.892 197 T HN 0.164 nan 8.240 nan 0.000 0.514 198 K N 3.514 123.944 120.400 0.051 0.000 2.293 198 K HA -0.096 4.224 4.320 0.000 0.000 0.204 198 K C 0.928 177.551 176.600 0.039 0.000 1.045 198 K CA 1.263 57.575 56.287 0.042 0.000 0.933 198 K CB -0.051 32.468 32.500 0.032 0.000 0.736 198 K HN 0.590 nan 8.250 nan 0.000 0.463 199 K N 0.478 120.900 120.400 0.038 0.000 2.583 199 K HA 0.097 4.417 4.320 0.000 0.000 0.266 199 K C 0.611 177.233 176.600 0.037 0.000 1.037 199 K CA -0.413 55.894 56.287 0.032 0.000 0.996 199 K CB 0.433 32.950 32.500 0.027 0.000 1.307 199 K HN -0.089 nan 8.250 nan 0.000 0.502 200 D N -0.389 120.030 120.400 0.031 0.000 2.595 200 D HA 0.229 4.869 4.640 0.000 0.000 0.268 200 D C 0.337 176.654 176.300 0.028 0.000 1.181 200 D CA -0.415 53.605 54.000 0.033 0.000 1.085 200 D CB 0.722 41.538 40.800 0.028 0.000 1.186 200 D HN 0.186 nan 8.370 nan 0.000 0.621 201 M N 0.252 119.870 119.600 0.030 0.000 2.184 201 M HA 0.212 4.692 4.480 0.000 0.000 0.296 201 M C -0.098 176.209 176.300 0.011 0.000 1.165 201 M CA 0.184 55.496 55.300 0.021 0.000 1.175 201 M CB 0.576 33.193 32.600 0.030 0.000 1.392 201 M HN 0.113 nan 8.290 nan 0.000 0.457 202 V N 0.379 120.295 119.914 0.004 0.000 3.167 202 V HA 0.143 4.263 4.120 0.000 0.000 0.293 202 V C 0.594 176.686 176.094 -0.003 0.000 1.379 202 V CA -1.088 61.212 62.300 0.001 0.000 1.019 202 V CB 1.852 33.676 31.823 0.001 0.000 1.115 202 V HN 0.880 nan 8.190 nan 0.000 0.442 203 N N 2.102 120.799 118.700 -0.004 0.000 2.258 203 N HA -0.215 4.525 4.740 0.000 0.000 0.187 203 N C 1.139 176.643 175.510 -0.010 0.000 1.012 203 N CA 1.854 54.900 53.050 -0.007 0.000 0.870 203 N CB -0.283 38.200 38.487 -0.007 0.000 0.977 203 N HN 0.818 nan 8.380 nan 0.000 0.434 204 K N 0.252 120.647 120.400 -0.009 0.000 2.057 204 K HA -0.099 4.221 4.320 0.000 0.000 0.207 204 K C 1.146 177.735 176.600 -0.017 0.000 1.049 204 K CA 1.622 57.902 56.287 -0.012 0.000 0.931 204 K CB -0.102 32.394 32.500 -0.007 0.000 0.714 204 K HN 0.186 nan 8.250 nan 0.000 0.440 205 D N 0.738 121.126 120.400 -0.020 0.000 2.218 205 D HA -0.191 4.449 4.640 0.000 0.000 0.204 205 D C 1.761 178.038 176.300 -0.039 0.000 0.976 205 D CA 0.918 54.897 54.000 -0.035 0.000 0.853 205 D CB -0.179 40.596 40.800 -0.041 0.000 0.939 205 D HN 0.272 nan 8.370 nan 0.000 0.481 206 Q N 0.568 120.353 119.800 -0.025 0.000 2.364 206 Q HA -0.107 4.233 4.340 0.000 0.000 0.209 206 Q C 1.467 177.450 176.000 -0.029 0.000 0.977 206 Q CA 1.184 56.975 55.803 -0.021 0.000 0.885 206 Q CB 0.316 29.047 28.738 -0.013 0.000 0.941 206 Q HN 0.389 nan 8.270 nan 0.000 0.464 207 V N -3.570 116.326 119.914 -0.031 0.000 3.165 207 V HA 0.350 4.470 4.120 0.000 0.000 0.231 207 V C 0.312 176.381 176.094 -0.041 0.000 1.365 207 V CA -0.079 62.199 62.300 -0.037 0.000 1.286 207 V CB 0.874 32.680 31.823 -0.028 0.000 1.081 207 V HN 0.147 nan 8.190 nan 0.000 0.477 208 L N 2.233 123.438 121.223 -0.031 0.000 2.572 208 L HA 0.500 4.840 4.340 0.000 0.000 0.249 208 L C -1.259 175.602 176.870 -0.014 0.000 1.114 208 L CA -0.119 54.706 54.840 -0.025 0.000 0.933 208 L CB 0.691 42.737 42.059 -0.023 0.000 1.131 208 L HN 0.377 nan 8.230 nan 0.000 0.507 209 N N 3.688 122.380 118.700 -0.015 0.000 2.411 209 N HA 0.372 5.112 4.740 0.000 0.000 0.259 209 N C -1.952 173.563 175.510 0.009 0.000 1.103 209 N CA -1.929 51.119 53.050 -0.005 0.000 0.954 209 N CB 1.563 40.045 38.487 -0.009 0.000 1.085 209 N HN 0.227 nan 8.380 nan 0.000 0.485 210 P HA -0.038 nan 4.420 nan 0.000 0.228 210 P C 0.549 177.866 177.300 0.028 0.000 1.151 210 P CA 0.683 63.793 63.100 0.017 0.000 0.770 210 P CB 0.292 31.997 31.700 0.009 0.000 0.786 211 I N -1.869 118.719 120.570 0.031 0.000 2.429 211 I HA -0.054 4.117 4.170 0.000 0.000 0.247 211 I C 0.979 177.142 176.117 0.077 0.000 1.099 211 I CA 0.924 62.251 61.300 0.045 0.000 1.422 211 I CB -1.360 36.664 38.000 0.040 0.000 1.112 211 I HN -0.308 nan 8.210 nan 0.000 0.430 212 S N 3.887 119.628 115.700 0.068 0.000 3.442 212 S HA 0.008 4.478 4.470 0.000 0.000 0.237 212 S C 0.082 174.808 174.600 0.210 0.000 0.992 212 S CA 0.464 58.722 58.200 0.096 0.000 1.381 212 S CB -1.236 61.946 63.200 -0.030 0.000 1.566 212 S HN 0.205 nan 8.310 nan 0.000 0.559 213 K N 1.185 121.749 120.400 0.273 0.000 2.468 213 K HA 0.743 5.063 4.320 0.000 0.000 0.252 213 K C -0.167 176.547 176.600 0.190 0.000 0.932 213 K CA -0.576 55.860 56.287 0.249 0.000 0.794 213 K CB 2.392 34.949 32.500 0.094 0.000 1.241 213 K HN 0.332 nan 8.250 nan 0.000 0.428 214 A N 2.362 125.186 122.820 0.007 0.000 3.423 214 A HA 0.765 5.085 4.320 0.000 0.000 0.226 214 A C -1.081 176.295 177.584 -0.348 0.000 1.055 214 A CA -0.470 51.409 52.037 -0.263 0.000 0.786 214 A CB 1.244 19.814 19.000 -0.716 0.000 1.400 214 A HN 0.575 nan 8.150 nan 0.000 0.673 215 K N -1.042 119.076 120.400 -0.470 0.000 2.469 215 K HA 0.525 4.845 4.320 0.000 0.000 0.268 215 K C -0.824 175.342 176.600 -0.724 0.000 1.027 215 K CA -0.722 55.287 56.287 -0.462 0.000 0.893 215 K CB 1.804 34.140 32.500 -0.273 0.000 1.460 215 K HN 0.382 nan 8.250 nan 0.000 0.449 216 L N 3.119 123.992 121.223 -0.582 0.000 2.805 216 L HA -0.003 4.337 4.340 0.000 0.000 0.237 216 L C 0.638 177.369 176.870 -0.232 0.000 1.252 216 L CA 0.218 54.692 54.840 -0.609 0.000 1.064 216 L CB -0.431 41.376 42.059 -0.420 0.000 1.361 216 L HN 0.708 nan 8.230 nan 0.000 0.474 217 D N -0.021 120.303 120.400 -0.127 0.000 2.172 217 D HA -0.233 4.407 4.640 0.000 0.000 0.196 217 D C 1.172 177.552 176.300 0.133 0.000 0.999 217 D CA 1.387 55.412 54.000 0.041 0.000 0.856 217 D CB 0.201 41.029 40.800 0.048 0.000 0.934 217 D HN 0.231 nan 8.370 nan 0.000 0.453 218 K N 0.291 120.894 120.400 0.339 0.000 2.958 218 K HA 0.433 4.753 4.320 0.000 0.000 0.304 218 K C -0.345 176.407 176.600 0.254 0.000 0.995 218 K CA -0.218 56.239 56.287 0.283 0.000 1.492 218 K CB 0.131 32.689 32.500 0.097 0.000 1.842 218 K HN 0.166 nan 8.250 nan 0.000 0.725 219 D N -3.357 117.182 120.400 0.230 0.000 2.855 219 D HA 0.266 4.906 4.640 0.000 0.000 0.247 219 D C -0.337 176.054 176.300 0.151 0.000 1.066 219 D CA 0.588 54.707 54.000 0.198 0.000 0.758 219 D CB 0.160 41.030 40.800 0.117 0.000 2.338 219 D HN 0.498 nan 8.370 nan 0.000 0.460 220 G N 2.041 110.947 108.800 0.178 0.000 2.296 220 G HA2 -0.294 3.666 3.960 0.000 0.000 0.282 220 G HA3 -0.294 3.666 3.960 0.000 0.000 0.282 220 G C 0.567 175.528 174.900 0.101 0.000 1.014 220 G CA 1.327 46.505 45.100 0.131 0.000 0.812 220 G HN 0.518 nan 8.290 nan 0.000 0.508 221 M N -2.201 117.472 119.600 0.122 0.000 2.330 221 M HA 0.411 4.891 4.480 0.000 0.000 0.207 221 M C 0.210 176.493 176.300 -0.028 0.000 1.622 221 M CA -0.041 55.246 55.300 -0.022 0.000 1.045 221 M CB 0.444 32.926 32.600 -0.197 0.000 1.461 221 M HN 0.106 nan 8.290 nan 0.000 0.564 222 Y N 3.068 123.413 120.300 0.075 0.000 2.436 222 Y HA 0.340 4.890 4.550 0.000 0.000 0.336 222 Y C -2.104 173.992 175.900 0.327 0.000 1.049 222 Y CA -2.508 55.661 58.100 0.115 0.000 1.294 222 Y CB -0.691 37.621 38.460 -0.246 0.000 1.179 222 Y HN 0.144 nan 8.280 nan 0.000 0.520 223 P HA 0.050 nan 4.420 nan 0.000 0.279 223 P C 0.560 178.067 177.300 0.346 0.000 1.239 223 P CA -0.179 63.093 63.100 0.287 0.000 0.789 223 P CB 2.113 33.895 31.700 0.137 0.000 0.933 224 V N 2.888 122.893 119.914 0.152 0.000 2.407 224 V HA -0.228 3.892 4.120 0.000 0.000 0.248 224 V C 2.581 178.662 176.094 -0.021 0.000 1.055 224 V CA 2.123 64.436 62.300 0.021 0.000 1.049 224 V CB -1.404 30.234 31.823 -0.307 0.000 0.662 224 V HN 0.680 nan 8.190 nan 0.000 0.455 225 E N -0.256 119.951 120.200 0.012 0.000 2.253 225 E HA -0.252 4.098 4.350 0.000 0.000 0.202 225 E C 1.919 178.496 176.600 -0.040 0.000 1.014 225 E CA 1.767 58.180 56.400 0.022 0.000 0.823 225 E CB -0.039 29.732 29.700 0.117 0.000 0.736 225 E HN 0.675 nan 8.360 nan 0.000 0.478 226 I N -1.618 118.868 120.570 -0.139 0.000 3.136 226 I HA 0.043 4.213 4.170 0.000 0.000 0.262 226 I C 0.206 175.969 176.117 -0.590 0.000 1.132 226 I CA -0.175 60.894 61.300 -0.385 0.000 1.450 226 I CB 0.062 37.650 38.000 -0.687 0.000 1.315 226 I HN 0.027 nan 8.210 nan 0.000 0.460 227 W N 2.264 123.424 121.300 -0.233 0.000 2.365 227 W HA 0.384 5.044 4.660 0.000 0.000 0.316 227 W C -0.043 176.171 176.519 -0.507 0.000 1.164 227 W CA -0.176 56.994 57.345 -0.293 0.000 1.204 227 W CB 0.359 29.748 29.460 -0.117 0.000 1.213 227 W HN 0.006 nan 8.180 nan 0.000 0.539 228 H N 1.918 121.164 119.070 0.295 0.000 2.821 228 H HA 0.285 4.841 4.556 0.000 0.000 0.373 228 H C -2.373 172.929 175.328 -0.043 0.000 1.165 228 H CA -2.351 53.821 56.048 0.208 0.000 1.154 228 H CB 1.614 31.479 29.762 0.171 0.000 1.765 228 H HN 0.054 nan 8.280 nan 0.000 0.549 229 P HA -0.053 nan 4.420 nan 0.000 0.266 229 P C -0.284 176.853 177.300 -0.272 0.000 1.215 229 P CA 0.254 63.056 63.100 -0.497 0.000 0.763 229 P CB 0.545 31.587 31.700 -1.095 0.000 0.806 230 D N 5.497 125.774 120.400 -0.204 0.000 2.249 230 D HA 0.203 4.843 4.640 0.000 0.000 0.246 230 D C -2.098 174.170 176.300 -0.054 0.000 1.114 230 D CA -2.689 51.269 54.000 -0.071 0.000 0.854 230 D CB 0.441 41.219 40.800 -0.035 0.000 1.132 230 D HN 0.178 nan 8.370 nan 0.000 0.461 231 P HA 0.214 nan 4.420 nan 0.000 0.260 231 P C -0.504 176.801 177.300 0.009 0.000 1.651 231 P CA -0.353 62.775 63.100 0.047 0.000 1.139 231 P CB 0.414 32.155 31.700 0.069 0.000 1.756 232 A N 4.495 127.307 122.820 -0.012 0.000 2.386 232 A HA 0.084 4.404 4.320 0.000 0.000 0.246 232 A C 1.608 179.184 177.584 -0.014 0.000 1.089 232 A CA -0.040 51.983 52.037 -0.023 0.000 0.790 232 A CB 0.365 19.339 19.000 -0.044 0.000 1.042 232 A HN 0.409 nan 8.150 nan 0.000 0.497 233 K N 0.911 121.301 120.400 -0.017 0.000 2.015 233 K HA -0.160 4.160 4.320 0.000 0.000 0.216 233 K C 0.242 176.831 176.600 -0.017 0.000 1.052 233 K CA 1.974 58.252 56.287 -0.015 0.000 0.937 233 K CB -0.381 32.109 32.500 -0.017 0.000 0.719 233 K HN 0.567 nan 8.250 nan 0.000 0.446 234 N N 0.248 118.934 118.700 -0.024 0.000 2.362 234 N HA 0.446 5.186 4.740 0.000 0.000 0.299 234 N C -1.419 174.070 175.510 -0.034 0.000 1.170 234 N CA -0.694 52.340 53.050 -0.027 0.000 0.825 234 N CB 1.946 40.416 38.487 -0.029 0.000 1.299 234 N HN 0.258 nan 8.380 nan 0.000 0.502 235 E N -0.630 119.550 120.200 -0.033 0.000 2.380 235 E HA 0.321 4.671 4.350 0.000 0.000 0.281 235 E C -1.167 175.411 176.600 -0.036 0.000 0.999 235 E CA -0.317 56.059 56.400 -0.039 0.000 0.800 235 E CB 1.148 30.835 29.700 -0.022 0.000 1.228 235 E HN 0.428 nan 8.360 nan 0.000 0.436 236 N N 0.649 119.321 118.700 -0.047 0.000 2.238 236 N HA 0.247 4.987 4.740 0.000 0.000 0.235 236 N C -1.381 174.115 175.510 -0.023 0.000 1.209 236 N CA 0.253 53.283 53.050 -0.033 0.000 0.879 236 N CB 0.941 39.402 38.487 -0.044 0.000 1.136 236 N HN 0.381 nan 8.380 nan 0.000 0.517 237 T N -0.699 113.840 114.554 -0.026 0.000 2.930 237 T HA 0.581 4.931 4.350 0.000 0.000 0.290 237 T C -0.549 174.147 174.700 -0.008 0.000 1.052 237 T CA -0.784 61.315 62.100 -0.003 0.000 1.017 237 T CB 2.035 70.885 68.868 -0.029 0.000 1.137 237 T HN -0.147 nan 8.240 nan 0.000 0.511 238 R N 0.790 121.274 120.500 -0.025 0.000 2.686 238 R HA 0.625 4.965 4.340 0.000 0.000 0.286 238 R C -1.497 174.555 176.300 -0.414 0.000 0.969 238 R CA -0.804 55.163 56.100 -0.222 0.000 0.898 238 R CB 1.852 32.146 30.300 -0.009 0.000 1.183 238 R HN 0.941 nan 8.270 nan 0.000 0.456 239 Y N -0.142 119.469 120.300 -1.148 0.000 2.609 239 Y HA 0.797 5.347 4.550 0.000 0.000 0.336 239 Y C -1.584 173.305 175.900 -1.685 0.000 1.129 239 Y CA -1.498 55.896 58.100 -1.177 0.000 1.040 239 Y CB 1.359 39.523 38.460 -0.493 0.000 1.310 239 Y HN 0.401 nan 8.280 nan 0.000 0.460 240 F N -0.314 119.502 119.950 -0.223 0.000 2.773 240 F HA 0.940 5.467 4.527 0.000 0.000 0.314 240 F C 0.070 175.906 175.800 0.060 0.000 1.160 240 F CA -1.121 56.809 58.000 -0.116 0.000 0.920 240 F CB 1.531 40.444 39.000 -0.143 0.000 1.323 240 F HN 1.066 nan 8.300 nan 0.000 0.457 241 G N 0.803 109.786 108.800 0.305 0.000 2.341 241 G HA2 0.466 4.426 3.960 0.000 0.000 0.293 241 G HA3 0.466 4.426 3.960 0.000 0.000 0.293 241 G C -2.416 172.514 174.900 0.051 0.000 1.298 241 G CA -0.536 44.675 45.100 0.185 0.000 0.868 241 G HN 1.584 nan 8.290 nan 0.000 0.540 242 N N -2.246 116.408 118.700 -0.076 0.000 2.745 242 N HA 0.568 5.308 4.740 0.000 0.000 0.256 242 N C -1.518 173.958 175.510 -0.056 0.000 1.268 242 N CA -1.001 52.023 53.050 -0.044 0.000 0.887 242 N CB 1.967 40.466 38.487 0.020 0.000 1.575 242 N HN 1.003 nan 8.380 nan 0.000 0.496 243 Y N 0.763 121.049 120.300 -0.024 0.000 2.342 243 Y HA 0.610 5.160 4.550 0.000 0.000 0.334 243 Y C -1.048 174.874 175.900 0.036 0.000 1.067 243 Y CA -0.210 57.953 58.100 0.105 0.000 1.128 243 Y CB 1.858 40.453 38.460 0.224 0.000 1.200 243 Y HN 0.650 nan 8.280 nan 0.000 0.464 244 T N 5.898 119.958 114.554 -0.824 0.000 3.141 244 T HA 0.397 4.747 4.350 0.000 0.000 0.377 244 T C 0.301 174.401 174.700 -1.001 0.000 1.258 244 T CA -0.427 61.244 62.100 -0.715 0.000 1.263 244 T CB 0.162 68.817 68.868 -0.354 0.000 1.066 244 T HN 1.017 nan 8.240 nan 0.000 0.546 245 G N 0.829 108.752 108.800 -1.462 0.000 2.684 245 G HA2 0.615 4.575 3.960 0.000 0.000 0.255 245 G HA3 0.615 4.575 3.960 0.000 0.000 0.255 245 G C 0.394 175.149 174.900 -0.241 0.000 1.219 245 G CA 0.311 44.994 45.100 -0.695 0.000 0.901 245 G HN 1.107 nan 8.290 nan 0.000 0.548 246 G N -2.155 106.623 108.800 -0.036 0.000 2.406 246 G HA2 0.354 4.314 3.960 0.000 0.000 0.680 246 G HA3 0.354 4.314 3.960 0.000 0.000 0.680 246 G C 0.442 175.352 174.900 0.018 0.000 1.338 246 G CA 0.704 45.789 45.100 -0.024 0.000 0.941 246 G HN 1.468 nan 8.290 nan 0.000 0.633 247 T N -3.724 110.859 114.554 0.048 0.000 3.039 247 T HA 0.198 4.548 4.350 0.000 0.000 0.250 247 T C 2.077 176.824 174.700 0.078 0.000 1.052 247 T CA 2.231 64.405 62.100 0.123 0.000 1.125 247 T CB 0.017 68.943 68.868 0.095 0.000 0.908 247 T HN 1.614 nan 8.240 nan 0.000 0.473 248 T N -1.098 113.466 114.554 0.017 0.000 2.985 248 T HA 0.187 4.537 4.350 0.000 0.000 0.254 248 T C 0.777 175.447 174.700 -0.049 0.000 1.021 248 T CA -0.157 61.948 62.100 0.008 0.000 0.957 248 T CB -0.639 68.243 68.868 0.023 0.000 1.047 248 T HN 0.213 nan 8.240 nan 0.000 0.511 249 T N 5.077 119.581 114.554 -0.084 0.000 2.447 249 T HA 0.035 4.385 4.350 0.000 0.000 0.224 249 T C -2.484 172.136 174.700 -0.133 0.000 1.058 249 T CA -0.098 61.929 62.100 -0.120 0.000 1.224 249 T CB -0.132 68.631 68.868 -0.175 0.000 1.029 249 T HN 0.280 nan 8.240 nan 0.000 0.475 250 P HA 0.234 nan 4.420 nan 0.000 0.271 250 P C -2.328 174.913 177.300 -0.098 0.000 1.216 250 P CA -1.298 61.753 63.100 -0.082 0.000 0.776 250 P CB 0.195 31.861 31.700 -0.056 0.000 0.881 251 P HA 0.239 nan 4.420 nan 0.000 0.277 251 P C -1.134 176.118 177.300 -0.080 0.000 1.240 251 P CA -0.090 62.957 63.100 -0.089 0.000 0.798 251 P CB 0.705 32.356 31.700 -0.082 0.000 0.979 252 V N 0.933 120.798 119.914 -0.081 0.000 2.932 252 V HA 0.648 4.768 4.120 0.000 0.000 0.307 252 V C -0.627 175.384 176.094 -0.140 0.000 1.147 252 V CA -0.626 61.615 62.300 -0.099 0.000 0.951 252 V CB 1.716 33.489 31.823 -0.082 0.000 1.031 252 V HN 0.348 nan 8.190 nan 0.000 0.426 253 L N 1.499 122.600 121.223 -0.202 0.000 2.510 253 L HA 0.719 5.059 4.340 0.000 0.000 0.252 253 L C -1.157 175.519 176.870 -0.322 0.000 1.091 253 L CA -0.344 54.312 54.840 -0.306 0.000 0.888 253 L CB 2.613 44.409 42.059 -0.439 0.000 1.507 253 L HN 0.635 nan 8.230 nan 0.000 0.407 254 Q N 1.321 120.895 119.800 -0.377 0.000 2.607 254 Q HA 0.370 4.710 4.340 0.000 0.000 0.247 254 Q C -1.299 174.570 176.000 -0.218 0.000 1.033 254 Q CA -0.252 55.390 55.803 -0.269 0.000 0.769 254 Q CB 0.672 29.300 28.738 -0.183 0.000 1.169 254 Q HN 0.276 nan 8.270 nan 0.000 0.508 255 F N 1.585 121.465 119.950 -0.116 0.000 2.650 255 F HA 0.153 4.680 4.527 0.000 0.000 0.338 255 F C 0.741 176.470 175.800 -0.119 0.000 1.311 255 F CA 0.492 58.420 58.000 -0.120 0.000 1.106 255 F CB 0.139 39.078 39.000 -0.102 0.000 1.500 255 F HN 0.028 nan 8.300 nan 0.000 0.670 256 T N 2.099 116.702 114.554 0.081 0.000 3.097 256 T HA 0.127 4.477 4.350 0.000 0.000 0.332 256 T C 0.810 175.472 174.700 -0.063 0.000 1.269 256 T CA -0.679 61.418 62.100 -0.005 0.000 1.076 256 T CB 1.018 69.879 68.868 -0.012 0.000 1.209 256 T HN 0.333 nan 8.240 nan 0.000 0.474 257 N N 1.642 120.302 118.700 -0.067 0.000 2.244 257 N HA -0.066 4.674 4.740 0.000 0.000 0.183 257 N C 1.709 177.188 175.510 -0.051 0.000 1.016 257 N CA 2.258 55.261 53.050 -0.079 0.000 0.866 257 N CB 0.089 38.533 38.487 -0.071 0.000 0.980 257 N HN 0.732 nan 8.380 nan 0.000 0.430 258 T N -0.867 113.662 114.554 -0.042 0.000 3.035 258 T HA 0.144 4.494 4.350 0.000 0.000 0.259 258 T C 0.379 175.064 174.700 -0.025 0.000 1.078 258 T CA 0.083 62.165 62.100 -0.030 0.000 1.132 258 T CB 0.217 69.069 68.868 -0.027 0.000 0.900 258 T HN -0.091 nan 8.240 nan 0.000 0.480 259 L N 2.556 123.758 121.223 -0.035 0.000 2.309 259 L HA 0.568 4.908 4.340 0.000 0.000 0.282 259 L C 0.031 176.882 176.870 -0.031 0.000 1.036 259 L CA -0.931 53.889 54.840 -0.035 0.000 0.806 259 L CB 0.481 42.510 42.059 -0.049 0.000 1.220 259 L HN 0.001 nan 8.230 nan 0.000 0.429 260 T N 0.347 114.890 114.554 -0.018 0.000 2.855 260 T HA 0.713 5.063 4.350 0.000 0.000 0.281 260 T C 0.108 174.800 174.700 -0.013 0.000 1.007 260 T CA -0.544 61.552 62.100 -0.006 0.000 1.009 260 T CB 1.727 70.603 68.868 0.013 0.000 0.983 260 T HN 0.539 nan 8.240 nan 0.000 0.455 261 T N 1.957 116.505 114.554 -0.011 0.000 2.856 261 T HA 0.511 4.861 4.350 0.000 0.000 0.283 261 T C -0.036 174.689 174.700 0.042 0.000 1.008 261 T CA -0.688 61.405 62.100 -0.012 0.000 0.997 261 T CB 1.302 70.125 68.868 -0.075 0.000 0.992 261 T HN 0.473 nan 8.240 nan 0.000 0.454 262 V N 4.478 124.425 119.914 0.055 0.000 2.385 262 V HA 0.223 4.343 4.120 0.000 0.000 0.269 262 V C 1.333 177.503 176.094 0.126 0.000 1.043 262 V CA -0.409 61.941 62.300 0.083 0.000 0.906 262 V CB 0.382 32.245 31.823 0.066 0.000 0.995 262 V HN 0.843 nan 8.190 nan 0.000 0.467 263 L N 3.625 124.929 121.223 0.136 0.000 2.465 263 L HA 0.053 4.393 4.340 0.000 0.000 0.224 263 L C 0.911 177.845 176.870 0.106 0.000 1.145 263 L CA 0.286 55.218 54.840 0.152 0.000 0.834 263 L CB -0.258 41.891 42.059 0.151 0.000 0.944 263 L HN 0.449 nan 8.230 nan 0.000 0.451 264 L N 1.800 123.076 121.223 0.087 0.000 2.578 264 L HA -0.095 4.245 4.340 0.000 0.000 0.279 264 L C 0.719 177.621 176.870 0.054 0.000 1.227 264 L CA 0.668 55.547 54.840 0.066 0.000 0.900 264 L CB -0.102 41.991 42.059 0.057 0.000 1.144 264 L HN 0.192 nan 8.230 nan 0.000 0.496 265 D N 2.367 122.792 120.400 0.043 0.000 2.451 265 D HA 0.034 4.675 4.640 0.000 0.000 0.259 265 D C 0.677 176.991 176.300 0.023 0.000 1.201 265 D CA -0.324 53.692 54.000 0.028 0.000 1.028 265 D CB 0.471 41.283 40.800 0.021 0.000 1.095 265 D HN 0.605 nan 8.370 nan 0.000 0.539 266 E N -0.759 119.449 120.200 0.013 0.000 2.219 266 E HA -0.166 4.184 4.350 0.000 0.000 0.198 266 E C 0.893 177.501 176.600 0.014 0.000 0.998 266 E CA 0.989 57.395 56.400 0.010 0.000 0.818 266 E CB -0.072 29.630 29.700 0.003 0.000 0.741 266 E HN 0.391 nan 8.360 nan 0.000 0.477 267 N N -0.406 118.303 118.700 0.016 0.000 2.203 267 N HA 0.076 4.816 4.740 0.000 0.000 0.207 267 N C 0.031 175.556 175.510 0.025 0.000 1.130 267 N CA 0.669 53.730 53.050 0.018 0.000 0.861 267 N CB 1.602 40.099 38.487 0.016 0.000 1.005 267 N HN 0.147 nan 8.380 nan 0.000 0.507 268 G N 0.796 109.613 108.800 0.028 0.000 2.531 268 G HA2 -0.179 3.781 3.960 0.000 0.000 0.283 268 G HA3 -0.179 3.781 3.960 0.000 0.000 0.283 268 G C 0.265 175.190 174.900 0.041 0.000 1.068 268 G CA 0.173 45.294 45.100 0.035 0.000 1.273 268 G HN 0.196 nan 8.290 nan 0.000 0.532 269 V N 0.354 120.294 119.914 0.043 0.000 3.151 269 V HA 0.604 4.724 4.120 0.000 0.000 0.235 269 V C 2.093 178.222 176.094 0.057 0.000 1.501 269 V CA 1.850 64.178 62.300 0.048 0.000 1.211 269 V CB -0.045 31.802 31.823 0.039 0.000 1.049 269 V HN 2.516 nan 8.190 nan 0.000 0.455 270 G N 1.592 110.426 108.800 0.056 0.000 2.641 270 G HA2 -0.181 3.779 3.960 0.000 0.000 0.254 270 G HA3 -0.181 3.779 3.960 0.000 0.000 0.254 270 G C -2.863 172.077 174.900 0.067 0.000 1.315 270 G CA -0.052 45.089 45.100 0.069 0.000 0.907 270 G HN 0.381 nan 8.290 nan 0.000 0.572 271 P HA 0.680 nan 4.420 nan 0.000 0.283 271 P C -0.636 176.720 177.300 0.093 0.000 1.278 271 P CA -0.653 62.493 63.100 0.077 0.000 0.834 271 P CB 0.899 32.651 31.700 0.086 0.000 1.150 272 L N 0.496 121.770 121.223 0.085 0.000 2.376 272 L HA 0.391 4.731 4.340 0.000 0.000 0.275 272 L C -0.702 176.240 176.870 0.120 0.000 0.987 272 L CA -0.362 54.540 54.840 0.103 0.000 0.828 272 L CB 1.122 43.224 42.059 0.071 0.000 1.249 272 L HN 0.333 nan 8.230 nan 0.000 0.409 273 C N 3.071 122.479 119.300 0.180 0.000 2.459 273 C HA 0.278 4.738 4.460 0.000 0.000 0.358 273 C C 0.859 175.962 174.990 0.188 0.000 1.162 273 C CA -1.087 58.057 59.018 0.209 0.000 1.559 273 C CB -1.759 26.138 27.740 0.262 0.000 2.132 273 C HN 0.746 nan 8.230 nan 0.000 0.536 274 K N 2.914 123.400 120.400 0.143 0.000 2.126 274 K HA 0.634 4.954 4.320 0.000 0.000 0.257 274 K C 0.968 177.665 176.600 0.162 0.000 1.007 274 K CA 0.326 56.687 56.287 0.122 0.000 0.928 274 K CB 0.549 33.094 32.500 0.075 0.000 1.013 274 K HN 0.803 nan 8.250 nan 0.000 0.473 275 G N 1.133 110.019 108.800 0.143 0.000 2.866 275 G HA2 -0.266 3.694 3.960 0.000 0.000 0.274 275 G HA3 -0.266 3.694 3.960 0.000 0.000 0.274 275 G C -0.118 174.870 174.900 0.146 0.000 1.413 275 G CA 0.282 45.465 45.100 0.140 0.000 0.997 275 G HN 0.645 nan 8.290 nan 0.000 0.559 276 E N 0.431 120.735 120.200 0.173 0.000 2.969 276 E HA 0.299 4.649 4.350 0.000 0.000 0.120 276 E C 0.431 177.129 176.600 0.164 0.000 0.851 276 E CA 0.589 57.132 56.400 0.239 0.000 1.477 276 E CB -0.013 29.819 29.700 0.220 0.000 0.952 276 E HN 1.119 nan 8.360 nan 0.000 0.388 277 G N 0.736 109.631 108.800 0.159 0.000 2.388 277 G HA2 0.655 4.615 3.960 0.000 0.000 0.330 277 G HA3 0.655 4.615 3.960 0.000 0.000 0.330 277 G C -0.770 174.208 174.900 0.130 0.000 1.142 277 G CA -0.470 44.661 45.100 0.052 0.000 0.908 277 G HN 0.037 nan 8.290 nan 0.000 0.473 278 L N 1.689 122.867 121.223 -0.076 0.000 2.305 278 L HA 0.510 4.850 4.340 0.000 0.000 0.284 278 L C -1.224 175.600 176.870 -0.077 0.000 1.013 278 L CA -1.051 53.801 54.840 0.020 0.000 0.819 278 L CB 1.288 43.298 42.059 -0.082 0.000 1.227 278 L HN 0.500 nan 8.230 nan 0.000 0.417 279 Y N 5.533 125.818 120.300 -0.025 0.000 2.417 279 Y HA 0.414 4.964 4.550 0.000 0.000 0.336 279 Y C -0.086 175.810 175.900 -0.006 0.000 0.961 279 Y CA -0.647 57.433 58.100 -0.034 0.000 1.215 279 Y CB 1.024 39.464 38.460 -0.033 0.000 1.120 279 Y HN 0.322 nan 8.280 nan 0.000 0.499 280 L N 3.531 124.763 121.223 0.016 0.000 2.307 280 L HA 0.749 5.089 4.340 0.000 0.000 0.282 280 L C -0.270 176.633 176.870 0.055 0.000 1.051 280 L CA -0.534 54.282 54.840 -0.041 0.000 0.804 280 L CB 1.435 43.154 42.059 -0.566 0.000 1.197 280 L HN 0.530 nan 8.230 nan 0.000 0.431 281 S N 1.554 117.419 115.700 0.276 0.000 2.543 281 S HA 0.708 5.178 4.470 0.000 0.000 0.271 281 S C -0.729 174.269 174.600 0.664 0.000 1.148 281 S CA -0.871 57.560 58.200 0.385 0.000 0.914 281 S CB 1.902 65.260 63.200 0.263 0.000 1.096 281 S HN 0.956 nan 8.310 nan 0.000 0.471 282 C N 0.445 120.144 119.300 0.666 0.000 3.253 282 C HA 0.944 5.404 4.460 0.000 0.000 0.362 282 C C -1.860 173.218 174.990 0.146 0.000 1.487 282 C CA -0.449 58.915 59.018 0.576 0.000 1.179 282 C CB 0.508 28.627 27.740 0.633 0.000 1.660 282 C HN 1.540 nan 8.230 nan 0.000 0.438 283 V N -1.094 118.865 119.914 0.076 0.000 2.950 283 V HA 0.697 4.817 4.120 0.000 0.000 0.295 283 V C -1.744 174.447 176.094 0.162 0.000 1.297 283 V CA -0.215 62.063 62.300 -0.037 0.000 0.962 283 V CB 1.980 33.656 31.823 -0.245 0.000 1.081 283 V HN 0.971 nan 8.190 nan 0.000 0.432 284 D N 3.659 124.161 120.400 0.171 0.000 2.735 284 D HA 0.359 4.999 4.640 0.000 0.000 0.291 284 D C -0.587 175.839 176.300 0.209 0.000 1.205 284 D CA -0.102 54.104 54.000 0.343 0.000 0.777 284 D CB 1.666 42.666 40.800 0.333 0.000 1.234 284 D HN 0.518 nan 8.370 nan 0.000 0.520 285 I N 1.511 122.105 120.570 0.039 0.000 2.533 285 I HA 0.019 4.189 4.170 0.000 0.000 0.284 285 I C 1.825 177.882 176.117 -0.100 0.000 1.109 285 I CA 0.139 61.446 61.300 0.011 0.000 1.412 285 I CB 0.668 38.650 38.000 -0.030 0.000 1.396 285 I HN 0.099 nan 8.210 nan 0.000 0.543 286 M N 3.533 123.117 119.600 -0.027 0.000 2.447 286 M HA 0.370 4.850 4.480 0.000 0.000 0.266 286 M C 0.957 177.108 176.300 -0.248 0.000 1.120 286 M CA 0.500 55.762 55.300 -0.064 0.000 1.166 286 M CB -0.688 31.906 32.600 -0.009 0.000 1.349 286 M HN 0.798 nan 8.290 nan 0.000 0.463 287 G N -0.826 107.778 108.800 -0.327 0.000 2.362 287 G HA2 0.093 4.053 3.960 0.000 0.000 0.288 287 G HA3 0.093 4.053 3.960 0.000 0.000 0.288 287 G C -2.129 172.592 174.900 -0.299 0.000 1.305 287 G CA -1.152 43.513 45.100 -0.724 0.000 0.910 287 G HN 0.347 nan 8.290 nan 0.000 0.518 288 W N 0.674 121.972 121.300 -0.002 0.000 2.266 288 W HA 0.665 5.325 4.660 0.000 0.000 0.317 288 W C 0.949 177.580 176.519 0.187 0.000 1.310 288 W CA -0.940 56.505 57.345 0.166 0.000 1.207 288 W CB 0.795 30.324 29.460 0.115 0.000 1.199 288 W HN 0.469 nan 8.180 nan 0.000 0.544 289 R N 2.973 123.709 120.500 0.393 0.000 2.229 289 R HA 0.416 4.756 4.340 0.000 0.000 0.328 289 R C -1.142 175.173 176.300 0.024 0.000 1.009 289 R CA -0.463 55.730 56.100 0.154 0.000 0.864 289 R CB 0.853 31.160 30.300 0.011 0.000 1.085 289 R HN 0.508 nan 8.270 nan 0.000 0.453 290 V N 3.479 123.429 119.914 0.060 0.000 2.347 290 V HA 0.216 4.336 4.120 0.000 0.000 0.280 290 V C 0.416 176.474 176.094 -0.060 0.000 1.021 290 V CA -1.028 61.253 62.300 -0.032 0.000 0.847 290 V CB 1.134 32.918 31.823 -0.065 0.000 0.990 290 V HN 0.882 nan 8.190 nan 0.000 0.444 291 T N 2.034 116.552 114.554 -0.061 0.000 2.853 291 T HA 0.167 4.517 4.350 0.000 0.000 0.298 291 T C 0.353 175.016 174.700 -0.062 0.000 0.978 291 T CA -0.551 61.539 62.100 -0.016 0.000 1.152 291 T CB 0.674 69.564 68.868 0.038 0.000 0.914 291 T HN 0.638 nan 8.240 nan 0.000 0.539 292 R N 3.491 123.926 120.500 -0.110 0.000 2.441 292 R HA 0.109 4.449 4.340 0.000 0.000 0.300 292 R C 0.296 176.384 176.300 -0.353 0.000 1.284 292 R CA 0.181 56.101 56.100 -0.300 0.000 1.069 292 R CB -1.010 28.914 30.300 -0.628 0.000 1.087 292 R HN 1.010 nan 8.270 nan 0.000 0.519 293 N N 2.405 120.975 118.700 -0.216 0.000 2.517 293 N HA -0.112 4.628 4.740 0.000 0.000 0.307 293 N C -0.974 174.450 175.510 -0.144 0.000 0.654 293 N CA 0.051 52.994 53.050 -0.178 0.000 0.792 293 N CB 0.355 38.799 38.487 -0.071 0.000 2.310 293 N HN 0.324 nan 8.380 nan 0.000 1.378 294 Y N 0.980 121.207 120.300 -0.122 0.000 2.660 294 Y HA 0.328 4.878 4.550 0.000 0.000 0.244 294 Y C -0.893 174.925 175.900 -0.138 0.000 1.945 294 Y CA -0.140 57.895 58.100 -0.108 0.000 1.013 294 Y CB 0.156 38.566 38.460 -0.083 0.000 3.225 294 Y HN -0.071 nan 8.280 nan 0.000 0.316 295 D N 0.168 120.620 120.400 0.086 0.000 2.891 295 D HA 0.330 4.970 4.640 0.000 0.000 0.312 295 D C -1.109 175.072 176.300 -0.199 0.000 1.354 295 D CA 0.198 54.090 54.000 -0.180 0.000 0.838 295 D CB 0.518 41.208 40.800 -0.184 0.000 1.117 295 D HN 0.037 nan 8.370 nan 0.000 0.473 296 V N 1.492 121.361 119.914 -0.074 0.000 2.242 296 V HA -0.011 4.109 4.120 0.000 0.000 0.242 296 V C 0.955 177.073 176.094 0.040 0.000 1.240 296 V CA 0.068 62.372 62.300 0.007 0.000 1.211 296 V CB -0.600 31.270 31.823 0.079 0.000 1.338 296 V HN 0.435 nan 8.190 nan 0.000 0.499 297 H N 2.188 121.272 119.070 0.022 0.000 2.573 297 H HA -0.010 4.546 4.556 0.000 0.000 0.279 297 H C 1.179 176.597 175.328 0.149 0.000 1.066 297 H CA -0.051 56.020 56.048 0.038 0.000 1.179 297 H CB -0.482 29.202 29.762 -0.130 0.000 1.303 297 H HN 0.945 nan 8.280 nan 0.000 0.626 298 H N -1.245 117.919 119.070 0.158 0.000 3.192 298 H HA -0.079 4.477 4.556 0.000 0.000 0.295 298 H C 0.040 175.601 175.328 0.388 0.000 0.943 298 H CA -0.447 55.687 56.048 0.143 0.000 1.416 298 H CB -0.125 29.567 29.762 -0.115 0.000 1.434 298 H HN 0.414 nan 8.280 nan 0.000 0.565 299 W N 3.737 125.245 121.300 0.347 0.000 2.332 299 W HA 0.568 5.228 4.660 0.000 0.000 0.351 299 W C -0.457 176.393 176.519 0.551 0.000 1.195 299 W CA -1.702 55.927 57.345 0.473 0.000 1.334 299 W CB 0.813 30.715 29.460 0.736 0.000 1.206 299 W HN 0.758 nan 8.180 nan 0.000 0.637 300 R N 1.113 122.073 120.500 0.766 0.000 2.778 300 R HA 0.759 5.099 4.340 0.000 0.000 0.277 300 R C -0.520 175.881 176.300 0.168 0.000 0.977 300 R CA -0.634 55.644 56.100 0.297 0.000 0.950 300 R CB 1.657 31.974 30.300 0.027 0.000 1.165 300 R HN 0.937 nan 8.270 nan 0.000 0.474 301 G N 2.548 111.327 108.800 -0.035 0.000 2.619 301 G HA2 0.551 4.511 3.960 0.000 0.000 0.296 301 G HA3 0.551 4.511 3.960 0.000 0.000 0.296 301 G C -1.558 173.280 174.900 -0.103 0.000 1.334 301 G CA -0.728 44.372 45.100 0.001 0.000 0.934 301 G HN 0.427 nan 8.290 nan 0.000 0.476 302 L N 1.099 122.301 121.223 -0.035 0.000 2.313 302 L HA 0.619 4.959 4.340 0.000 0.000 0.268 302 L C -1.958 174.911 176.870 -0.001 0.000 1.010 302 L CA -2.123 52.684 54.840 -0.056 0.000 0.814 302 L CB 3.018 45.041 42.059 -0.061 0.000 1.304 302 L HN 0.344 nan 8.230 nan 0.000 0.441 303 P HA 0.317 nan 4.420 nan 0.000 0.281 303 P C -1.587 175.797 177.300 0.139 0.000 1.264 303 P CA -0.713 62.449 63.100 0.104 0.000 0.824 303 P CB 1.867 33.637 31.700 0.116 0.000 1.092 304 R N 0.943 121.604 120.500 0.268 0.000 2.686 304 R HA 0.395 4.735 4.340 0.000 0.000 0.283 304 R C -1.423 175.192 176.300 0.525 0.000 0.978 304 R CA -0.799 55.475 56.100 0.290 0.000 0.897 304 R CB 1.382 31.825 30.300 0.239 0.000 1.192 304 R HN 0.529 nan 8.270 nan 0.000 0.457 305 Y N 3.668 124.078 120.300 0.183 0.000 2.376 305 Y HA 0.555 5.105 4.550 0.000 0.000 0.325 305 Y C -1.608 174.406 175.900 0.190 0.000 1.199 305 Y CA -0.408 57.857 58.100 0.275 0.000 1.206 305 Y CB 0.966 39.470 38.460 0.074 0.000 1.229 305 Y HN 0.469 nan 8.280 nan 0.000 0.480 306 F N 3.807 123.487 119.950 -0.450 0.000 2.578 306 F HA 0.428 4.955 4.527 0.000 0.000 0.311 306 F C -0.738 174.614 175.800 -0.746 0.000 1.094 306 F CA -1.296 56.466 58.000 -0.396 0.000 0.923 306 F CB 2.199 41.102 39.000 -0.161 0.000 1.230 306 F HN 0.398 nan 8.300 nan 0.000 0.450 307 K N 4.065 124.331 120.400 -0.223 0.000 2.646 307 K HA 0.569 4.889 4.320 0.000 0.000 0.210 307 K C -1.671 174.929 176.600 0.001 0.000 1.020 307 K CA -0.412 55.783 56.287 -0.153 0.000 1.040 307 K CB 0.437 32.933 32.500 -0.006 0.000 1.253 307 K HN 0.518 nan 8.250 nan 0.000 0.532 308 I N 2.570 123.146 120.570 0.010 0.000 2.395 308 I HA 0.159 4.329 4.170 0.000 0.000 0.289 308 I C 0.126 176.250 176.117 0.013 0.000 1.023 308 I CA -0.021 61.303 61.300 0.040 0.000 1.350 308 I CB 1.732 39.757 38.000 0.042 0.000 1.409 308 I HN 0.389 nan 8.210 nan 0.000 0.507 309 T N 7.523 122.099 114.554 0.037 0.000 2.756 309 T HA 0.762 5.112 4.350 0.000 0.000 0.290 309 T C -0.514 174.215 174.700 0.049 0.000 0.985 309 T CA -0.602 61.519 62.100 0.035 0.000 0.955 309 T CB 0.433 69.329 68.868 0.047 0.000 0.930 309 T HN 0.297 nan 8.240 nan 0.000 0.451 310 L N 1.319 122.567 121.223 0.043 0.000 2.409 310 L HA 0.837 5.177 4.340 0.000 0.000 0.262 310 L C -0.170 176.808 176.870 0.180 0.000 0.992 310 L CA -1.328 53.568 54.840 0.094 0.000 0.817 310 L CB 1.539 43.638 42.059 0.066 0.000 1.350 310 L HN 0.655 nan 8.230 nan 0.000 0.411 311 R N 0.014 120.652 120.500 0.229 0.000 3.029 311 R HA 0.771 5.111 4.340 0.000 0.000 0.239 311 R C -1.117 175.314 176.300 0.219 0.000 1.351 311 R CA -1.058 55.178 56.100 0.226 0.000 1.052 311 R CB 1.333 31.702 30.300 0.114 0.000 1.354 311 R HN 0.537 nan 8.270 nan 0.000 0.499 312 K N 1.027 121.435 120.400 0.013 0.000 2.281 312 K HA 0.313 4.633 4.320 0.000 0.000 0.272 312 K C -0.587 175.881 176.600 -0.221 0.000 1.048 312 K CA -0.609 55.527 56.287 -0.252 0.000 0.898 312 K CB 1.593 33.860 32.500 -0.389 0.000 1.128 312 K HN 0.329 nan 8.250 nan 0.000 0.460 313 R N 2.988 123.362 120.500 -0.210 0.000 2.599 313 R HA 0.249 4.589 4.340 0.000 0.000 0.295 313 R C -1.235 175.004 176.300 -0.102 0.000 0.963 313 R CA -0.705 55.330 56.100 -0.107 0.000 0.883 313 R CB 1.029 31.339 30.300 0.016 0.000 1.171 313 R HN 0.612 nan 8.270 nan 0.000 0.450 314 W N 4.686 125.964 121.300 -0.037 0.000 2.304 314 W HA 0.227 4.887 4.660 0.000 0.000 0.313 314 W C 0.649 177.155 176.519 -0.021 0.000 1.323 314 W CA -0.327 56.997 57.345 -0.035 0.000 1.223 314 W CB 1.090 30.532 29.460 -0.029 0.000 1.237 314 W HN 0.283 nan 8.180 nan 0.000 0.535 315 V N 1.267 121.379 119.914 0.330 0.000 3.164 315 V HA 0.585 4.705 4.120 0.000 0.000 0.313 315 V C -0.778 175.411 176.094 0.159 0.000 1.188 315 V CA -1.735 60.669 62.300 0.174 0.000 1.058 315 V CB 1.857 33.743 31.823 0.105 0.000 1.110 315 V HN 0.410 nan 8.190 nan 0.000 0.453 316 K N 1.633 122.084 120.400 0.084 0.000 2.156 316 K HA 0.340 4.660 4.320 0.000 0.000 0.271 316 K C 0.184 176.819 176.600 0.059 0.000 0.995 316 K CA -0.370 55.951 56.287 0.056 0.000 0.890 316 K CB 0.727 33.240 32.500 0.022 0.000 1.073 316 K HN 0.930 nan 8.250 nan 0.000 0.454 317 N N 4.702 123.445 118.700 0.072 0.000 2.359 317 N HA -0.053 4.687 4.740 0.000 0.000 0.261 317 N C -1.487 174.045 175.510 0.037 0.000 1.267 317 N CA -1.085 52.015 53.050 0.084 0.000 0.864 317 N CB 0.752 39.299 38.487 0.101 0.000 1.063 317 N HN 0.419 nan 8.380 nan 0.000 0.474 318 P HA -0.049 nan 4.420 nan 0.000 0.236 318 P C -0.775 176.366 177.300 -0.264 0.000 1.177 318 P CA 0.820 63.816 63.100 -0.172 0.000 0.773 318 P CB 0.239 31.762 31.700 -0.294 0.000 0.878 319 Y N 1.793 122.105 120.300 0.020 0.000 2.420 319 Y HA 0.449 4.999 4.550 0.000 0.000 0.334 319 Y C -1.857 174.053 175.900 0.016 0.000 1.094 319 Y CA -2.859 55.251 58.100 0.017 0.000 1.126 319 Y CB 1.049 39.519 38.460 0.016 0.000 1.217 319 Y HN -0.118 nan 8.280 nan 0.000 0.462 320 P HA 0.275 nan 4.420 nan 0.000 0.284 320 P C 0.088 177.450 177.300 0.103 0.000 1.459 320 P CA -0.241 62.943 63.100 0.140 0.000 0.982 320 P CB 0.952 32.724 31.700 0.120 0.000 1.184 321 M N 2.599 122.240 119.600 0.067 0.000 2.110 321 M HA -0.232 4.248 4.480 0.000 0.000 0.257 321 M C 1.830 178.130 176.300 -0.001 0.000 1.071 321 M CA 2.653 57.965 55.300 0.019 0.000 1.096 321 M CB -0.842 31.766 32.600 0.014 0.000 1.300 321 M HN 0.347 nan 8.290 nan 0.000 0.411 322 A N 0.205 123.031 122.820 0.010 0.000 2.276 322 A HA -0.071 4.249 4.320 0.000 0.000 0.205 322 A C 2.037 179.624 177.584 0.005 0.000 1.234 322 A CA 1.355 53.391 52.037 -0.003 0.000 0.797 322 A CB -0.956 18.052 19.000 0.013 0.000 0.769 322 A HN 0.674 nan 8.150 nan 0.000 0.491 323 S N 0.412 116.122 115.700 0.017 0.000 2.400 323 S HA -0.204 4.266 4.470 0.000 0.000 0.232 323 S C 1.787 176.380 174.600 -0.010 0.000 1.025 323 S CA 1.548 59.766 58.200 0.029 0.000 0.993 323 S CB -0.829 62.392 63.200 0.034 0.000 0.808 323 S HN 0.861 nan 8.310 nan 0.000 0.478 324 L N -0.162 121.033 121.223 -0.045 0.000 2.141 324 L HA 0.212 4.552 4.340 0.000 0.000 0.209 324 L C 2.340 179.138 176.870 -0.120 0.000 1.094 324 L CA 1.146 55.940 54.840 -0.076 0.000 0.763 324 L CB -1.115 40.895 42.059 -0.080 0.000 0.908 324 L HN 0.201 nan 8.230 nan 0.000 0.437 325 I N 0.426 120.917 120.570 -0.132 0.000 2.226 325 I HA -0.237 3.933 4.170 0.000 0.000 0.245 325 I C 2.325 178.226 176.117 -0.360 0.000 1.100 325 I CA 1.587 62.717 61.300 -0.283 0.000 1.374 325 I CB -0.346 37.549 38.000 -0.175 0.000 1.057 325 I HN 0.448 nan 8.210 nan 0.000 0.413 326 S N 0.327 115.997 115.700 -0.049 0.000 2.383 326 S HA -0.127 4.343 4.470 0.000 0.000 0.227 326 S C 2.101 176.732 174.600 0.053 0.000 1.026 326 S CA 1.395 59.677 58.200 0.137 0.000 0.981 326 S CB -0.275 63.006 63.200 0.135 0.000 0.818 326 S HN 0.408 nan 8.310 nan 0.000 0.472 327 S N 2.179 117.865 115.700 -0.024 0.000 2.359 327 S HA -0.088 4.382 4.470 0.000 0.000 0.224 327 S C 1.929 176.496 174.600 -0.055 0.000 1.035 327 S CA 1.353 59.537 58.200 -0.026 0.000 1.018 327 S CB -0.614 62.559 63.200 -0.046 0.000 0.876 327 S HN 0.516 nan 8.310 nan 0.000 0.448 328 L N 1.001 122.127 121.223 -0.161 0.000 2.012 328 L HA -0.081 4.259 4.340 0.000 0.000 0.210 328 L C 1.857 178.646 176.870 -0.135 0.000 1.073 328 L CA 1.963 56.675 54.840 -0.213 0.000 0.748 328 L CB -1.045 40.782 42.059 -0.387 0.000 0.891 328 L HN 0.147 nan 8.230 nan 0.000 0.431 329 F N 0.485 120.436 119.950 0.002 0.000 2.171 329 F HA -0.127 4.400 4.527 0.000 0.000 0.300 329 F C 2.330 178.132 175.800 0.003 0.000 1.090 329 F CA 1.655 59.656 58.000 0.003 0.000 1.293 329 F CB -1.372 37.631 39.000 0.004 0.000 1.013 329 F HN 0.292 nan 8.300 nan 0.000 0.486 330 N N -0.507 118.292 118.700 0.166 0.000 2.515 330 N HA -0.068 4.672 4.740 0.000 0.000 0.185 330 N C 1.231 176.778 175.510 0.060 0.000 1.109 330 N CA 0.407 53.517 53.050 0.099 0.000 0.903 330 N CB -0.124 38.407 38.487 0.073 0.000 0.969 330 N HN 0.353 nan 8.380 nan 0.000 0.450 331 N N 0.006 118.734 118.700 0.046 0.000 2.244 331 N HA -0.036 4.704 4.740 0.000 0.000 0.189 331 N C 1.757 177.290 175.510 0.039 0.000 1.047 331 N CA 0.905 53.969 53.050 0.024 0.000 0.870 331 N CB -0.014 38.471 38.487 -0.004 0.000 1.041 331 N HN 0.206 nan 8.380 nan 0.000 0.448 332 M N 0.120 119.752 119.600 0.053 0.000 2.260 332 M HA -0.025 4.455 4.480 0.000 0.000 0.261 332 M C -0.344 175.998 176.300 0.069 0.000 1.066 332 M CA 1.258 56.597 55.300 0.065 0.000 1.082 332 M CB -0.135 32.521 32.600 0.094 0.000 1.388 332 M HN -0.045 nan 8.290 nan 0.000 0.419 333 L N 2.516 123.789 121.223 0.083 0.000 2.268 333 L HA 0.508 4.848 4.340 0.000 0.000 0.289 333 L C -2.068 174.828 176.870 0.044 0.000 1.064 333 L CA -2.232 52.646 54.840 0.063 0.000 0.824 333 L CB -0.090 42.011 42.059 0.071 0.000 1.202 333 L HN -0.011 nan 8.230 nan 0.000 0.433 334 P HA -0.082 nan 4.420 nan 0.000 0.271 334 P C -0.358 176.956 177.300 0.022 0.000 1.212 334 P CA 0.103 63.217 63.100 0.023 0.000 0.788 334 P CB 0.458 32.169 31.700 0.019 0.000 0.865 335 Q N 0.657 120.468 119.800 0.018 0.000 2.278 335 Q HA 0.395 4.735 4.340 0.000 0.000 0.257 335 Q C -0.869 175.139 176.000 0.014 0.000 0.928 335 Q CA -0.381 55.432 55.803 0.016 0.000 0.932 335 Q CB 1.160 29.907 28.738 0.015 0.000 1.221 335 Q HN 0.128 nan 8.270 nan 0.000 0.434 336 V N 2.106 122.028 119.914 0.014 0.000 2.495 336 V HA 0.311 4.431 4.120 0.000 0.000 0.298 336 V C 0.927 177.028 176.094 0.011 0.000 1.031 336 V CA -0.746 61.561 62.300 0.011 0.000 0.871 336 V CB 1.705 33.535 31.823 0.011 0.000 0.988 336 V HN 0.699 nan 8.190 nan 0.000 0.432 337 Q N 2.829 122.634 119.800 0.009 0.000 1.879 337 Q HA 0.368 4.708 4.340 0.000 0.000 0.214 337 Q C 1.077 177.082 176.000 0.008 0.000 0.973 337 Q CA 1.107 56.915 55.803 0.008 0.000 0.856 337 Q CB -0.103 28.640 28.738 0.008 0.000 0.907 337 Q HN 1.262 nan 8.270 nan 0.000 0.436 338 G N 0.905 109.709 108.800 0.007 0.000 2.731 338 G HA2 -0.251 3.709 3.960 0.000 0.000 0.686 338 G HA3 -0.251 3.709 3.960 0.000 0.000 0.686 338 G C -0.915 173.989 174.900 0.007 0.000 1.395 338 G CA -0.462 44.642 45.100 0.007 0.000 0.870 338 G HN 0.284 nan 8.290 nan 0.000 0.591 339 Q N 1.305 121.109 119.800 0.006 0.000 2.479 339 Q HA 0.233 4.573 4.340 0.000 0.000 0.267 339 Q C -1.393 174.611 176.000 0.007 0.000 1.071 339 Q CA -0.270 55.536 55.803 0.006 0.000 0.935 339 Q CB 0.421 29.162 28.738 0.005 0.000 1.295 339 Q HN 0.538 nan 8.270 nan 0.000 0.476 340 P HA 0.008 nan 4.420 nan 0.000 0.267 340 P C -0.895 176.409 177.300 0.007 0.000 1.328 340 P CA 0.382 63.487 63.100 0.007 0.000 0.990 340 P CB 0.337 32.041 31.700 0.007 0.000 1.168 341 M N 2.773 122.378 119.600 0.008 0.000 3.080 341 M HA 0.315 4.795 4.480 0.000 0.000 0.288 341 M C 0.063 176.368 176.300 0.008 0.000 1.224 341 M CA -0.235 55.069 55.300 0.008 0.000 0.787 341 M CB -0.238 32.367 32.600 0.008 0.000 1.368 341 M HN 0.498 nan 8.290 nan 0.000 0.511 342 E N -1.150 119.055 120.200 0.008 0.000 2.357 342 E HA 0.456 4.806 4.350 0.000 0.000 0.275 342 E C -0.482 176.123 176.600 0.008 0.000 1.208 342 E CA 0.248 56.653 56.400 0.008 0.000 0.929 342 E CB 0.520 30.225 29.700 0.009 0.000 1.283 342 E HN 0.446 nan 8.360 nan 0.000 0.411 343 G N 1.619 110.424 108.800 0.007 0.000 2.472 343 G HA2 -0.232 3.728 3.960 0.000 0.000 0.205 343 G HA3 -0.232 3.728 3.960 0.000 0.000 0.205 343 G C 0.207 175.111 174.900 0.006 0.000 1.270 343 G CA 0.260 45.364 45.100 0.007 0.000 0.974 343 G HN 0.619 nan 8.290 nan 0.000 0.542 344 E N -0.196 120.008 120.200 0.006 0.000 2.364 344 E HA 0.091 4.441 4.350 0.000 0.000 0.196 344 E C 1.261 177.864 176.600 0.005 0.000 0.990 344 E CA 0.786 57.189 56.400 0.006 0.000 0.886 344 E CB 0.068 29.772 29.700 0.006 0.000 0.866 344 E HN 0.401 nan 8.360 nan 0.000 0.493 345 N N 0.231 118.935 118.700 0.006 0.000 2.328 345 N HA 0.042 4.782 4.740 0.000 0.000 0.247 345 N C -0.687 174.826 175.510 0.006 0.000 1.165 345 N CA -0.052 53.001 53.050 0.006 0.000 0.873 345 N CB 1.235 39.726 38.487 0.006 0.000 1.125 345 N HN -0.130 nan 8.380 nan 0.000 0.513 346 T N 0.693 115.250 114.554 0.006 0.000 2.946 346 T HA -0.071 4.279 4.350 0.000 0.000 0.312 346 T C 0.739 175.443 174.700 0.006 0.000 1.066 346 T CA 0.581 62.684 62.100 0.006 0.000 1.138 346 T CB 0.385 69.257 68.868 0.006 0.000 1.014 346 T HN 0.292 nan 8.240 nan 0.000 0.544 347 Q N 2.672 122.476 119.800 0.007 0.000 2.211 347 Q HA 0.248 4.588 4.340 0.000 0.000 0.231 347 Q C -0.361 175.643 176.000 0.007 0.000 0.865 347 Q CA -0.307 55.500 55.803 0.007 0.000 0.997 347 Q CB 0.602 29.344 28.738 0.006 0.000 1.101 347 Q HN 0.358 nan 8.270 nan 0.000 0.468 348 V N 1.644 121.562 119.914 0.008 0.000 2.406 348 V HA 0.034 4.154 4.120 0.000 0.000 0.272 348 V C 1.082 177.181 176.094 0.009 0.000 1.043 348 V CA 0.063 62.368 62.300 0.009 0.000 0.915 348 V CB 1.401 33.229 31.823 0.009 0.000 0.988 348 V HN 0.352 nan 8.190 nan 0.000 0.466 349 E N 2.815 123.021 120.200 0.010 0.000 2.140 349 E HA 0.108 4.458 4.350 0.000 0.000 0.191 349 E C 0.344 176.950 176.600 0.011 0.000 0.973 349 E CA 0.516 56.922 56.400 0.010 0.000 0.829 349 E CB 0.807 30.514 29.700 0.011 0.000 0.781 349 E HN 0.763 nan 8.360 nan 0.000 0.466 350 E N -1.203 119.004 120.200 0.013 0.000 2.392 350 E HA 0.307 4.657 4.350 0.000 0.000 0.281 350 E C -1.945 174.666 176.600 0.018 0.000 1.088 350 E CA -0.334 56.074 56.400 0.013 0.000 0.850 350 E CB 1.827 31.536 29.700 0.015 0.000 1.267 350 E HN -0.165 nan 8.360 nan 0.000 0.438 351 V N 2.442 122.364 119.914 0.014 0.000 3.049 351 V HA 0.793 4.913 4.120 0.000 0.000 0.309 351 V C -1.152 174.945 176.094 0.005 0.000 1.148 351 V CA -0.763 61.549 62.300 0.020 0.000 0.990 351 V CB 2.124 33.956 31.823 0.014 0.000 1.039 351 V HN 0.693 nan 8.190 nan 0.000 0.430 352 R N 2.325 122.840 120.500 0.024 0.000 2.707 352 R HA 0.854 5.194 4.340 0.000 0.000 0.272 352 R C -1.705 174.600 176.300 0.008 0.000 1.011 352 R CA -0.711 55.360 56.100 -0.047 0.000 0.893 352 R CB 1.841 32.118 30.300 -0.038 0.000 1.233 352 R HN 0.572 nan 8.270 nan 0.000 0.464 353 V N -1.177 118.662 119.914 -0.124 0.000 2.841 353 V HA 0.702 4.822 4.120 0.000 0.000 0.310 353 V C -1.476 174.567 176.094 -0.086 0.000 1.090 353 V CA -1.040 61.275 62.300 0.025 0.000 0.930 353 V CB 1.818 33.643 31.823 0.002 0.000 1.014 353 V HN 0.721 nan 8.190 nan 0.000 0.425 354 Y N 1.027 121.327 120.300 -0.000 0.000 2.421 354 Y HA 0.638 5.188 4.550 0.000 0.000 0.339 354 Y C 0.399 176.299 175.900 -0.001 0.000 0.996 354 Y CA -0.718 57.382 58.100 -0.000 0.000 1.046 354 Y CB 2.331 40.790 38.460 -0.001 0.000 1.226 354 Y HN 0.784 nan 8.280 nan 0.000 0.445 355 D N 0.846 121.332 120.400 0.143 0.000 2.626 355 D HA 0.189 4.829 4.640 0.000 0.000 0.274 355 D C 1.210 177.555 176.300 0.075 0.000 1.045 355 D CA 0.922 54.975 54.000 0.088 0.000 0.925 355 D CB 0.486 41.315 40.800 0.049 0.000 1.260 355 D HN 0.740 nan 8.370 nan 0.000 0.490 356 G N -1.144 107.702 108.800 0.075 0.000 2.773 356 G HA2 0.497 4.457 3.960 0.000 0.000 0.186 356 G HA3 0.497 4.457 3.960 0.000 0.000 0.186 356 G C -0.778 174.160 174.900 0.065 0.000 1.411 356 G CA -0.143 44.991 45.100 0.057 0.000 1.054 356 G HN 0.117 nan 8.290 nan 0.000 0.579 357 T N 0.540 115.122 114.554 0.046 0.000 3.089 357 T HA 0.445 4.795 4.350 0.000 0.000 0.340 357 T C -0.747 173.973 174.700 0.034 0.000 1.008 357 T CA -0.539 61.585 62.100 0.041 0.000 1.096 357 T CB 1.084 69.967 68.868 0.025 0.000 1.024 357 T HN 0.725 nan 8.240 nan 0.000 0.477 358 E N 2.148 122.372 120.200 0.041 0.000 2.191 358 E HA 0.659 5.009 4.350 0.000 0.000 0.274 358 E C -2.758 173.858 176.600 0.027 0.000 0.948 358 E CA -2.330 54.088 56.400 0.030 0.000 0.802 358 E CB 0.677 30.394 29.700 0.028 0.000 1.137 358 E HN 0.146 nan 8.360 nan 0.000 0.397 359 P HA -0.006 nan 4.420 nan 0.000 0.268 359 P C -0.798 176.513 177.300 0.017 0.000 1.204 359 P CA -0.419 62.690 63.100 0.015 0.000 0.768 359 P CB 0.540 32.246 31.700 0.010 0.000 0.842 360 V N 4.729 124.654 119.914 0.018 0.000 2.890 360 V HA -0.093 4.027 4.120 0.000 0.000 0.294 360 V C -1.291 174.812 176.094 0.015 0.000 1.165 360 V CA -0.786 61.525 62.300 0.019 0.000 1.302 360 V CB -1.402 30.429 31.823 0.014 0.000 0.820 360 V HN 0.614 nan 8.190 nan 0.000 0.468 361 P HA 0.304 nan 4.420 nan 0.000 0.277 361 P C 0.828 178.132 177.300 0.008 0.000 1.240 361 P CA 0.114 63.221 63.100 0.011 0.000 0.798 361 P CB 1.590 33.298 31.700 0.013 0.000 0.979 362 G N 1.497 110.299 108.800 0.003 0.000 2.707 362 G HA2 -0.094 3.866 3.960 0.000 0.000 0.204 362 G HA3 -0.094 3.866 3.960 0.000 0.000 0.204 362 G C -0.034 174.865 174.900 -0.000 0.000 1.435 362 G CA 0.395 45.495 45.100 -0.000 0.000 0.890 362 G HN 0.571 nan 8.290 nan 0.000 0.552 363 D N 0.994 121.391 120.400 -0.005 0.000 2.393 363 D HA 0.319 4.959 4.640 0.000 0.000 0.232 363 D C -1.218 175.079 176.300 -0.004 0.000 1.192 363 D CA -1.743 52.253 54.000 -0.006 0.000 0.882 363 D CB 1.515 42.307 40.800 -0.015 0.000 1.038 363 D HN -0.114 nan 8.370 nan 0.000 0.499 364 P HA -0.083 nan 4.420 nan 0.000 0.216 364 P C -0.256 177.040 177.300 -0.007 0.000 1.153 364 P CA 1.037 64.138 63.100 0.001 0.000 0.858 364 P CB 0.310 32.016 31.700 0.011 0.000 0.789 365 D N -0.290 120.107 120.400 -0.005 0.000 2.622 365 D HA 0.205 4.845 4.640 0.000 0.000 0.262 365 D C -0.059 176.240 176.300 -0.002 0.000 1.189 365 D CA 0.151 54.149 54.000 -0.004 0.000 0.985 365 D CB 0.140 40.940 40.800 -0.001 0.000 0.994 365 D HN 0.195 nan 8.370 nan 0.000 0.513 366 M N 1.882 121.481 119.600 -0.003 0.000 1.980 366 M HA 0.151 4.631 4.480 0.000 0.000 0.282 366 M C -1.164 175.141 176.300 0.007 0.000 0.878 366 M CA -0.055 55.242 55.300 -0.004 0.000 0.900 366 M CB 1.184 33.772 32.600 -0.020 0.000 1.577 366 M HN -0.030 nan 8.290 nan 0.000 0.396 367 T N 0.476 115.046 114.554 0.026 0.000 2.724 367 T HA 0.527 4.877 4.350 0.000 0.000 0.274 367 T C -0.727 174.014 174.700 0.069 0.000 0.984 367 T CA -1.137 60.983 62.100 0.034 0.000 1.024 367 T CB 0.774 69.655 68.868 0.022 0.000 1.320 367 T HN 0.744 nan 8.240 nan 0.000 0.555 368 R N 0.344 120.879 120.500 0.059 0.000 4.082 368 R HA -0.142 4.198 4.340 0.000 0.000 0.210 368 R C -1.044 175.327 176.300 0.119 0.000 0.488 368 R CA 0.200 56.343 56.100 0.070 0.000 0.946 368 R CB -1.486 28.834 30.300 0.033 0.000 0.976 368 R HN 0.580 nan 8.270 nan 0.000 0.301 369 Y N 3.941 124.237 120.300 -0.005 0.000 2.393 369 Y HA 0.447 4.997 4.550 0.000 0.000 0.338 369 Y C -0.360 175.537 175.900 -0.004 0.000 1.029 369 Y CA -0.959 57.139 58.100 -0.004 0.000 1.239 369 Y CB 0.937 39.395 38.460 -0.004 0.000 1.170 369 Y HN 0.521 nan 8.280 nan 0.000 0.515 370 V N 7.085 126.736 119.914 -0.438 0.000 2.851 370 V HA 0.333 4.453 4.120 0.000 0.000 0.307 370 V C -0.772 175.024 176.094 -0.497 0.000 1.129 370 V CA -0.757 61.313 62.300 -0.383 0.000 0.932 370 V CB 1.966 33.691 31.823 -0.163 0.000 1.024 370 V HN 0.852 nan 8.190 nan 0.000 0.426 371 D N 0.000 120.157 120.400 -0.406 0.000 6.856 371 D HA 0.000 4.640 4.640 0.000 0.000 0.175 371 D CA 0.000 53.829 54.000 -0.285 0.000 0.868 371 D CB 0.000 40.677 40.800 -0.205 0.000 0.688 371 D HN 0.000 nan 8.370 nan 0.000 0.683