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 1g8r_1_A DATA FIRST_RESID 7 DATA SEQUENCE LMSLDTALNE MLSRVTPLTA QETLPLVQCF GRILASDVVS PLDVPGFDNS DATA SEQUENCE AMDGYAVRLA DIASGQPLPV AGKSFAGQPY HGEWPAGTCI RIMTGAPVPE DATA SEQUENCE GCEAVVMQEQ TEQMDNGVRF TAEVRSGQNI RRRGEDISAG AVVFPAGTRL DATA SEQUENCE TTAELPVIAS LGIAEVPVIR KVRVALFSTG DELQLPGQPL GDGQIYDTNR DATA SEQUENCE LAVHLMLEQL GCEVINLGII RDDPHALRAA FIEADSQADV VISSGGVSVG DATA SEQUENCE EADYTKTILE ELGEIAFWKL AIKPGKPFAF GKLSNSWFCG LPGNPVSATL DATA SEQUENCE TFYQLVQPLL AKLSGNTASG LPARQRVRTA SRLKKTPGRL DFQRGVLQRN DATA SEQUENCE ADGELEVTTT GHQGSHIFSS FSLGNCFIVL ERDRGNVEVG EWVEVEPFNA DATA SEQUENCE LFG 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.868 176.870 -0.003 0.000 1.165 7 L CA 0.000 54.855 54.840 0.025 0.000 0.813 7 L CB 0.000 42.079 42.059 0.033 0.000 0.961 8 M N 2.020 121.611 119.600 -0.014 0.000 2.248 8 M HA 0.216 4.694 4.480 -0.003 0.000 0.337 8 M C 0.464 176.718 176.300 -0.076 0.000 1.121 8 M CA 0.326 55.574 55.300 -0.086 0.000 1.155 8 M CB 1.164 33.655 32.600 -0.183 0.000 1.514 8 M HN 0.286 nan 8.290 nan 0.000 0.452 9 S N 4.417 120.054 115.700 -0.106 0.000 2.565 9 S HA 0.276 4.744 4.470 -0.003 0.000 0.290 9 S C 0.937 175.477 174.600 -0.101 0.000 1.150 9 S CA -1.033 57.120 58.200 -0.078 0.000 1.058 9 S CB 1.341 64.501 63.200 -0.067 0.000 1.032 9 S HN 0.978 nan 8.310 nan 0.000 0.510 10 L N 1.304 122.496 121.223 -0.052 0.000 1.997 10 L HA -0.210 4.128 4.340 -0.003 0.000 0.216 10 L C 2.269 179.084 176.870 -0.092 0.000 1.074 10 L CA 2.595 57.404 54.840 -0.052 0.000 0.763 10 L CB -0.691 41.389 42.059 0.035 0.000 0.890 10 L HN 0.986 nan 8.230 nan 0.000 0.434 11 D N -1.357 118.997 120.400 -0.075 0.000 2.116 11 D HA -0.206 4.433 4.640 -0.003 0.000 0.193 11 D C 1.917 178.142 176.300 -0.125 0.000 0.998 11 D CA 2.003 55.952 54.000 -0.085 0.000 0.836 11 D CB 0.177 40.937 40.800 -0.066 0.000 0.951 11 D HN 0.276 nan 8.370 nan 0.000 0.449 12 T N -0.363 114.101 114.554 -0.150 0.000 2.622 12 T HA -0.201 4.147 4.350 -0.003 0.000 0.266 12 T C 1.963 176.485 174.700 -0.295 0.000 1.047 12 T CA 1.827 63.807 62.100 -0.201 0.000 1.159 12 T CB -0.729 68.006 68.868 -0.221 0.000 0.863 12 T HN 0.284 nan 8.240 nan 0.000 0.422 13 A N 1.189 123.769 122.820 -0.399 0.000 1.908 13 A HA -0.049 4.269 4.320 -0.003 0.000 0.218 13 A C 2.360 179.778 177.584 -0.278 0.000 1.181 13 A CA 1.296 52.992 52.037 -0.568 0.000 0.627 13 A CB -0.983 17.748 19.000 -0.448 0.000 0.818 13 A HN 0.463 nan 8.150 nan 0.000 0.445 14 L N -0.695 120.404 121.223 -0.206 0.000 1.989 14 L HA -0.264 4.074 4.340 -0.003 0.000 0.211 14 L C 2.363 179.132 176.870 -0.167 0.000 1.071 14 L CA 2.391 57.123 54.840 -0.179 0.000 0.749 14 L CB -0.681 41.290 42.059 -0.147 0.000 0.890 14 L HN 0.494 nan 8.230 nan 0.000 0.431 15 N N -0.492 118.122 118.700 -0.144 0.000 2.120 15 N HA -0.258 4.480 4.740 -0.003 0.000 0.188 15 N C 1.652 177.101 175.510 -0.102 0.000 1.024 15 N CA 1.291 54.273 53.050 -0.113 0.000 0.852 15 N CB -0.032 38.399 38.487 -0.093 0.000 1.003 15 N HN 0.248 nan 8.380 nan 0.000 0.424 16 E N 0.521 120.651 120.200 -0.117 0.000 2.118 16 E HA -0.128 4.220 4.350 -0.003 0.000 0.195 16 E C 1.720 178.312 176.600 -0.013 0.000 0.992 16 E CA 1.297 57.673 56.400 -0.041 0.000 0.804 16 E CB -0.036 29.618 29.700 -0.078 0.000 0.741 16 E HN 0.361 nan 8.360 nan 0.000 0.458 17 M N -0.527 118.987 119.600 -0.144 0.000 2.081 17 M HA -0.061 4.417 4.480 -0.003 0.000 0.261 17 M C 2.226 178.349 176.300 -0.295 0.000 1.075 17 M CA 1.263 56.330 55.300 -0.389 0.000 1.133 17 M CB -0.247 31.998 32.600 -0.591 0.000 1.330 17 M HN 0.148 nan 8.290 nan 0.000 0.414 18 L N -0.201 120.886 121.223 -0.227 0.000 2.079 18 L HA -0.204 4.134 4.340 -0.003 0.000 0.210 18 L C 2.733 179.529 176.870 -0.123 0.000 1.081 18 L CA 1.549 56.280 54.840 -0.182 0.000 0.752 18 L CB -1.080 40.893 42.059 -0.142 0.000 0.896 18 L HN 0.445 nan 8.230 nan 0.000 0.433 19 S N -0.005 115.647 115.700 -0.080 0.000 2.419 19 S HA -0.161 4.307 4.470 -0.003 0.000 0.233 19 S C 2.004 176.610 174.600 0.010 0.000 1.016 19 S CA 0.733 58.918 58.200 -0.026 0.000 0.974 19 S CB -0.291 62.906 63.200 -0.006 0.000 0.786 19 S HN 0.429 nan 8.310 nan 0.000 0.492 20 R N 0.461 120.962 120.500 0.002 0.000 2.210 20 R HA 0.276 4.614 4.340 -0.003 0.000 0.203 20 R C 0.186 176.531 176.300 0.076 0.000 1.010 20 R CA 0.219 56.378 56.100 0.099 0.000 1.008 20 R CB -0.321 30.102 30.300 0.206 0.000 0.923 20 R HN 0.325 nan 8.270 nan 0.000 0.469 21 V N 2.050 121.865 119.914 -0.164 0.000 2.649 21 V HA 0.087 4.205 4.120 -0.003 0.000 0.292 21 V C 0.350 176.477 176.094 0.056 0.000 1.055 21 V CA 0.306 62.523 62.300 -0.139 0.000 1.023 21 V CB 1.668 33.252 31.823 -0.399 0.000 0.992 21 V HN 0.102 nan 8.190 nan 0.000 0.480 22 T N 6.605 121.265 114.554 0.176 0.000 2.770 22 T HA 0.422 4.770 4.350 -0.003 0.000 0.283 22 T C -2.510 172.253 174.700 0.106 0.000 0.988 22 T CA -0.995 61.184 62.100 0.131 0.000 0.957 22 T CB 1.560 70.522 68.868 0.156 0.000 0.930 22 T HN 0.478 nan 8.240 nan 0.000 0.443 23 P HA 0.147 nan 4.420 nan 0.000 0.266 23 P C -0.224 177.109 177.300 0.055 0.000 1.195 23 P CA -0.705 62.421 63.100 0.043 0.000 0.768 23 P CB 0.382 32.094 31.700 0.020 0.000 0.838 24 L N 2.615 123.869 121.223 0.053 0.000 2.482 24 L HA 0.125 4.463 4.340 -0.003 0.000 0.273 24 L C 1.602 178.493 176.870 0.034 0.000 1.228 24 L CA 1.333 56.203 54.840 0.050 0.000 0.827 24 L CB -0.351 41.735 42.059 0.045 0.000 1.099 24 L HN 0.638 nan 8.230 nan 0.000 0.494 25 T N -2.191 112.382 114.554 0.031 0.000 3.080 25 T HA 0.421 4.769 4.350 -0.003 0.000 0.280 25 T C 0.500 175.212 174.700 0.020 0.000 0.926 25 T CA 0.246 62.360 62.100 0.024 0.000 0.883 25 T CB -0.072 68.810 68.868 0.024 0.000 1.194 25 T HN 0.598 nan 8.240 nan 0.000 0.541 26 A N 2.209 125.042 122.820 0.021 0.000 2.507 26 A HA 0.551 4.869 4.320 -0.003 0.000 0.235 26 A C 0.299 177.891 177.584 0.015 0.000 1.070 26 A CA -0.158 51.890 52.037 0.018 0.000 0.768 26 A CB 0.046 19.058 19.000 0.019 0.000 1.011 26 A HN 0.803 nan 8.150 nan 0.000 0.502 27 Q N 0.119 119.927 119.800 0.013 0.000 2.565 27 Q HA 0.724 5.062 4.340 -0.003 0.000 0.294 27 Q C -1.290 174.715 176.000 0.010 0.000 1.005 27 Q CA -0.905 54.904 55.803 0.010 0.000 0.771 27 Q CB 1.647 30.390 28.738 0.009 0.000 1.486 27 Q HN 0.818 nan 8.270 nan 0.000 0.422 28 E N 0.120 120.325 120.200 0.008 0.000 2.390 28 E HA 0.539 4.888 4.350 -0.003 0.000 0.277 28 E C -1.352 175.253 176.600 0.007 0.000 0.939 28 E CA -0.996 55.409 56.400 0.008 0.000 0.769 28 E CB 2.243 31.949 29.700 0.009 0.000 1.251 28 E HN 0.490 nan 8.360 nan 0.000 0.450 29 T N 2.395 116.954 114.554 0.008 0.000 2.758 29 T HA 0.515 4.863 4.350 -0.003 0.000 0.285 29 T C -0.439 174.266 174.700 0.009 0.000 0.981 29 T CA -0.503 61.602 62.100 0.008 0.000 0.965 29 T CB 0.221 69.094 68.868 0.009 0.000 0.927 29 T HN 0.307 nan 8.240 nan 0.000 0.448 30 L N 4.709 125.937 121.223 0.008 0.000 2.354 30 L HA 0.602 4.940 4.340 -0.003 0.000 0.264 30 L C -2.381 174.495 176.870 0.011 0.000 1.008 30 L CA -2.917 51.929 54.840 0.010 0.000 0.819 30 L CB 1.956 44.022 42.059 0.011 0.000 1.339 30 L HN 0.322 nan 8.230 nan 0.000 0.420 31 P HA 0.114 nan 4.420 nan 0.000 0.271 31 P C 0.957 178.267 177.300 0.016 0.000 1.216 31 P CA -0.241 62.868 63.100 0.015 0.000 0.776 31 P CB 0.856 32.566 31.700 0.015 0.000 0.881 32 L N 3.094 124.326 121.223 0.015 0.000 2.054 32 L HA -0.233 4.105 4.340 -0.003 0.000 0.220 32 L C 2.504 179.390 176.870 0.027 0.000 1.081 32 L CA 1.618 56.466 54.840 0.014 0.000 0.780 32 L CB -1.275 40.793 42.059 0.015 0.000 0.893 32 L HN 0.225 nan 8.230 nan 0.000 0.438 33 V N -0.375 119.559 119.914 0.032 0.000 2.828 33 V HA -0.270 3.848 4.120 -0.003 0.000 0.260 33 V C 2.006 178.132 176.094 0.053 0.000 1.101 33 V CA 1.802 64.129 62.300 0.043 0.000 1.123 33 V CB -0.302 31.540 31.823 0.032 0.000 0.704 33 V HN 0.560 nan 8.190 nan 0.000 0.493 34 Q N -2.280 117.546 119.800 0.042 0.000 2.247 34 Q HA 0.115 4.453 4.340 -0.003 0.000 0.204 34 Q C 1.535 177.565 176.000 0.050 0.000 0.872 34 Q CA 0.224 56.054 55.803 0.045 0.000 0.951 34 Q CB 0.346 29.102 28.738 0.029 0.000 1.099 34 Q HN 0.650 nan 8.270 nan 0.000 0.501 35 C N 0.376 119.703 119.300 0.046 0.000 2.791 35 C HA 0.199 4.657 4.460 -0.003 0.000 0.270 35 C C 0.676 175.664 174.990 -0.004 0.000 1.257 35 C CA -0.736 58.289 59.018 0.011 0.000 1.699 35 C CB -1.251 26.471 27.740 -0.029 0.000 1.904 35 C HN 0.416 nan 8.230 nan 0.000 0.603 36 F N 1.444 121.376 119.950 -0.030 0.000 2.590 36 F HA 0.405 4.930 4.527 -0.003 0.000 0.389 36 F C 1.417 177.198 175.800 -0.032 0.000 1.049 36 F CA 1.921 59.900 58.000 -0.034 0.000 1.199 36 F CB 0.372 39.357 39.000 -0.025 0.000 1.058 36 F HN 0.455 nan 8.300 nan 0.000 0.556 37 G N 3.913 112.504 108.800 -0.349 0.000 2.179 37 G HA2 -0.260 3.698 3.960 -0.003 0.000 0.260 37 G HA3 -0.260 3.698 3.960 -0.003 0.000 0.260 37 G C 0.439 175.289 174.900 -0.083 0.000 0.977 37 G CA -0.288 44.747 45.100 -0.109 0.000 0.641 37 G HN 0.585 nan 8.290 nan 0.000 0.533 38 R N 0.144 120.587 120.500 -0.096 0.000 2.531 38 R HA 0.523 4.861 4.340 -0.003 0.000 0.273 38 R C 0.541 176.788 176.300 -0.088 0.000 1.070 38 R CA -0.653 55.409 56.100 -0.065 0.000 1.112 38 R CB 0.563 30.838 30.300 -0.041 0.000 1.049 38 R HN 0.211 nan 8.270 nan 0.000 0.508 39 I N 3.183 123.718 120.570 -0.058 0.000 2.331 39 I HA 0.208 4.376 4.170 -0.003 0.000 0.292 39 I C 0.878 176.969 176.117 -0.043 0.000 0.998 39 I CA -0.781 60.486 61.300 -0.056 0.000 1.267 39 I CB 0.555 38.532 38.000 -0.037 0.000 1.386 39 I HN 0.336 nan 8.210 nan 0.000 0.476 40 L N 5.116 126.310 121.223 -0.047 0.000 2.513 40 L HA 0.037 4.375 4.340 -0.003 0.000 0.272 40 L C 1.460 178.326 176.870 -0.008 0.000 1.187 40 L CA 0.009 54.834 54.840 -0.026 0.000 0.895 40 L CB 1.282 43.330 42.059 -0.017 0.000 1.147 40 L HN 0.825 nan 8.230 nan 0.000 0.483 41 A N 3.057 125.876 122.820 -0.001 0.000 1.970 41 A HA 0.066 4.384 4.320 -0.003 0.000 0.216 41 A C 0.798 178.388 177.584 0.011 0.000 1.170 41 A CA 0.777 52.817 52.037 0.005 0.000 0.645 41 A CB 0.042 19.045 19.000 0.006 0.000 0.816 41 A HN 0.686 nan 8.150 nan 0.000 0.447 42 S N -0.306 115.403 115.700 0.015 0.000 2.627 42 S HA 0.469 4.937 4.470 -0.003 0.000 0.283 42 S C -1.641 172.977 174.600 0.030 0.000 1.127 42 S CA -1.026 57.185 58.200 0.019 0.000 0.863 42 S CB 1.091 64.301 63.200 0.017 0.000 1.121 42 S HN 0.233 nan 8.310 nan 0.000 0.479 43 D N 1.206 121.623 120.400 0.030 0.000 2.449 43 D HA 0.266 4.904 4.640 -0.003 0.000 0.236 43 D C -0.438 175.889 176.300 0.045 0.000 1.149 43 D CA 0.129 54.153 54.000 0.040 0.000 0.878 43 D CB 0.498 41.311 40.800 0.023 0.000 1.198 43 D HN 0.215 nan 8.370 nan 0.000 0.446 44 V N 2.703 122.658 119.914 0.068 0.000 2.350 44 V HA 0.202 4.320 4.120 -0.003 0.000 0.276 44 V C 0.203 176.309 176.094 0.019 0.000 1.028 44 V CA -0.679 61.661 62.300 0.067 0.000 0.860 44 V CB 1.523 33.435 31.823 0.148 0.000 0.990 44 V HN 0.212 nan 8.190 nan 0.000 0.453 45 V N 4.064 123.983 119.914 0.008 0.000 2.394 45 V HA 0.333 4.451 4.120 -0.003 0.000 0.282 45 V C 0.603 176.687 176.094 -0.016 0.000 1.031 45 V CA -0.329 61.963 62.300 -0.013 0.000 0.881 45 V CB 1.860 33.678 31.823 -0.008 0.000 0.982 45 V HN 0.871 nan 8.190 nan 0.000 0.451 46 S N 6.308 121.987 115.700 -0.035 0.000 2.516 46 S HA 0.197 4.665 4.470 -0.003 0.000 0.282 46 S C -1.288 173.300 174.600 -0.019 0.000 1.286 46 S CA -0.822 57.359 58.200 -0.032 0.000 1.066 46 S CB 0.909 64.078 63.200 -0.053 0.000 0.884 46 S HN 0.669 nan 8.310 nan 0.000 0.491 47 P HA 0.187 nan 4.420 nan 0.000 0.231 47 P C -0.605 176.691 177.300 -0.007 0.000 1.168 47 P CA 0.452 63.550 63.100 -0.005 0.000 0.779 47 P CB -0.013 31.688 31.700 0.002 0.000 0.844 48 L N -3.651 117.565 121.223 -0.013 0.000 2.389 48 L HA 0.603 4.941 4.340 -0.003 0.000 0.249 48 L C -0.437 176.416 176.870 -0.029 0.000 1.083 48 L CA -1.185 53.646 54.840 -0.015 0.000 0.876 48 L CB 0.431 42.485 42.059 -0.009 0.000 1.489 48 L HN -0.415 nan 8.230 nan 0.000 0.412 49 D N 0.362 120.742 120.400 -0.033 0.000 2.283 49 D HA 0.572 5.210 4.640 -0.003 0.000 0.248 49 D C -0.966 175.286 176.300 -0.081 0.000 1.072 49 D CA -0.035 53.934 54.000 -0.052 0.000 0.929 49 D CB 2.525 43.297 40.800 -0.047 0.000 1.182 49 D HN 0.258 nan 8.370 nan 0.000 0.433 50 V N 3.709 123.564 119.914 -0.097 0.000 2.559 50 V HA 0.205 4.323 4.120 -0.003 0.000 0.289 50 V C -2.382 173.634 176.094 -0.130 0.000 1.036 50 V CA -1.321 60.908 62.300 -0.120 0.000 0.887 50 V CB 2.299 34.071 31.823 -0.085 0.000 1.022 50 V HN 0.400 nan 8.190 nan 0.000 0.442 51 P HA 0.201 nan 4.420 nan 0.000 0.274 51 P C 0.878 177.961 177.300 -0.362 0.000 1.231 51 P CA 0.006 62.905 63.100 -0.335 0.000 0.790 51 P CB 1.431 32.904 31.700 -0.380 0.000 0.951 52 G N 0.903 109.387 108.800 -0.528 0.000 2.848 52 G HA2 0.219 4.177 3.960 -0.003 0.000 0.208 52 G HA3 0.219 4.177 3.960 -0.003 0.000 0.208 52 G C -0.129 174.690 174.900 -0.135 0.000 1.152 52 G CA 0.071 45.010 45.100 -0.269 0.000 0.789 52 G HN 0.588 nan 8.290 nan 0.000 0.531 53 F N -2.119 117.835 119.950 0.006 0.000 2.719 53 F HA 0.379 4.904 4.527 -0.003 0.000 0.309 53 F C -1.154 174.649 175.800 0.006 0.000 1.138 53 F CA -2.522 55.483 58.000 0.007 0.000 0.943 53 F CB 0.283 39.288 39.000 0.010 0.000 1.304 53 F HN -0.216 nan 8.300 nan 0.000 0.445 54 D N 2.964 123.513 120.400 0.248 0.000 2.455 54 D HA 0.163 4.801 4.640 -0.003 0.000 0.241 54 D C -0.434 176.010 176.300 0.240 0.000 1.138 54 D CA 0.649 54.746 54.000 0.160 0.000 0.877 54 D CB 0.770 41.639 40.800 0.116 0.000 1.187 54 D HN 0.718 nan 8.370 nan 0.000 0.451 55 N N -0.490 118.301 118.700 0.151 0.000 2.774 55 N HA 0.079 4.817 4.740 -0.003 0.000 0.264 55 N C -1.250 174.300 175.510 0.067 0.000 1.415 55 N CA -0.727 52.413 53.050 0.151 0.000 0.815 55 N CB 1.507 40.119 38.487 0.209 0.000 1.514 55 N HN 0.085 nan 8.380 nan 0.000 0.523 56 S N -0.624 115.100 115.700 0.041 0.000 2.505 56 S HA 0.437 4.905 4.470 -0.003 0.000 0.276 56 S C 1.193 175.794 174.600 0.002 0.000 1.274 56 S CA 0.011 58.214 58.200 0.006 0.000 1.053 56 S CB 0.110 63.286 63.200 -0.039 0.000 0.919 56 S HN 0.683 nan 8.310 nan 0.000 0.490 57 A N 5.837 128.659 122.820 0.004 0.000 1.968 57 A HA 0.158 4.476 4.320 -0.003 0.000 0.217 57 A C 0.858 178.438 177.584 -0.007 0.000 1.169 57 A CA 0.952 52.990 52.037 0.002 0.000 0.638 57 A CB -0.117 18.888 19.000 0.008 0.000 0.812 57 A HN 0.779 nan 8.150 nan 0.000 0.446 58 M N -0.070 119.519 119.600 -0.017 0.000 2.691 58 M HA 0.381 4.859 4.480 -0.003 0.000 0.293 58 M C -1.982 174.276 176.300 -0.071 0.000 1.259 58 M CA -1.019 54.262 55.300 -0.031 0.000 0.827 58 M CB 1.346 33.934 32.600 -0.021 0.000 1.753 58 M HN 0.162 nan 8.290 nan 0.000 0.465 59 D N 0.304 120.648 120.400 -0.093 0.000 2.225 59 D HA 0.732 5.370 4.640 -0.003 0.000 0.248 59 D C 0.281 176.453 176.300 -0.214 0.000 1.096 59 D CA -0.220 53.677 54.000 -0.171 0.000 0.863 59 D CB 1.885 42.595 40.800 -0.150 0.000 1.156 59 D HN 0.867 nan 8.370 nan 0.000 0.450 60 G N 0.456 109.046 108.800 -0.350 0.000 2.570 60 G HA2 0.205 4.163 3.960 -0.003 0.000 0.072 60 G HA3 0.205 4.163 3.960 -0.003 0.000 0.072 60 G C -1.708 172.689 174.900 -0.837 0.000 1.030 60 G CA -0.664 44.138 45.100 -0.498 0.000 1.277 60 G HN 0.377 nan 8.290 nan 0.000 0.559 61 Y N 0.885 121.174 120.300 -0.018 0.000 2.421 61 Y HA 0.715 5.263 4.550 -0.003 0.000 0.339 61 Y C 0.348 176.325 175.900 0.129 0.000 0.996 61 Y CA -0.366 57.761 58.100 0.045 0.000 1.046 61 Y CB 2.437 40.947 38.460 0.083 0.000 1.226 61 Y HN 0.715 nan 8.280 nan 0.000 0.445 62 A N 3.037 126.000 122.820 0.237 0.000 2.328 62 A HA 0.772 5.090 4.320 -0.003 0.000 0.284 62 A C -0.349 177.520 177.584 0.474 0.000 1.160 62 A CA -0.346 51.835 52.037 0.241 0.000 0.818 62 A CB 0.022 19.046 19.000 0.039 0.000 1.087 62 A HN 0.834 nan 8.150 nan 0.000 0.504 63 V N 0.233 120.394 119.914 0.412 0.000 3.167 63 V HA 0.861 4.979 4.120 -0.003 0.000 0.310 63 V C -0.564 175.587 176.094 0.094 0.000 1.207 63 V CA -1.287 61.172 62.300 0.265 0.000 1.059 63 V CB 1.826 33.664 31.823 0.025 0.000 1.079 63 V HN 0.832 nan 8.190 nan 0.000 0.446 64 R N 0.849 121.241 120.500 -0.181 0.000 2.393 64 R HA 0.626 4.964 4.340 -0.003 0.000 0.315 64 R C 0.578 176.763 176.300 -0.193 0.000 0.952 64 R CA -0.794 55.172 56.100 -0.223 0.000 0.842 64 R CB 1.405 31.449 30.300 -0.428 0.000 1.163 64 R HN 0.749 nan 8.270 nan 0.000 0.450 65 L N 2.737 123.887 121.223 -0.122 0.000 2.369 65 L HA -0.237 4.101 4.340 -0.003 0.000 0.220 65 L C 1.681 178.467 176.870 -0.140 0.000 1.119 65 L CA 1.964 56.734 54.840 -0.116 0.000 0.780 65 L CB -1.399 40.618 42.059 -0.070 0.000 0.906 65 L HN 0.855 nan 8.230 nan 0.000 0.442 66 A N 0.639 123.365 122.820 -0.157 0.000 1.824 66 A HA -0.208 4.110 4.320 -0.003 0.000 0.215 66 A C 1.731 179.211 177.584 -0.173 0.000 1.209 66 A CA 1.606 53.552 52.037 -0.151 0.000 0.614 66 A CB -0.922 17.982 19.000 -0.160 0.000 0.852 66 A HN 0.476 nan 8.150 nan 0.000 0.447 67 D N -0.313 119.955 120.400 -0.220 0.000 2.411 67 D HA -0.100 4.538 4.640 -0.003 0.000 0.226 67 D C 1.075 177.221 176.300 -0.257 0.000 0.988 67 D CA 0.517 54.383 54.000 -0.223 0.000 0.938 67 D CB -0.341 40.308 40.800 -0.251 0.000 0.883 67 D HN 0.300 nan 8.370 nan 0.000 0.525 68 I N 0.266 120.668 120.570 -0.279 0.000 3.251 68 I HA 0.078 4.246 4.170 -0.003 0.000 0.277 68 I C 2.059 178.073 176.117 -0.172 0.000 1.268 68 I CA -0.024 61.092 61.300 -0.307 0.000 1.449 68 I CB -0.303 37.514 38.000 -0.305 0.000 1.083 68 I HN 0.044 nan 8.210 nan 0.000 0.464 69 A N -1.069 121.669 122.820 -0.136 0.000 2.123 69 A HA -0.019 4.299 4.320 -0.003 0.000 0.214 69 A C 2.328 179.867 177.584 -0.076 0.000 1.152 69 A CA 1.062 53.046 52.037 -0.090 0.000 0.728 69 A CB -0.480 18.472 19.000 -0.080 0.000 0.814 69 A HN 0.341 nan 8.150 nan 0.000 0.464 70 S N -0.578 115.068 115.700 -0.091 0.000 2.442 70 S HA 0.117 4.585 4.470 -0.003 0.000 0.236 70 S C 1.706 176.278 174.600 -0.047 0.000 1.007 70 S CA 0.889 59.048 58.200 -0.068 0.000 0.965 70 S CB -0.517 62.637 63.200 -0.077 0.000 0.773 70 S HN 1.550 nan 8.310 nan 0.000 0.504 71 G N 1.462 110.233 108.800 -0.049 0.000 2.244 71 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.274 71 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.274 71 G C -0.062 174.837 174.900 -0.002 0.000 1.002 71 G CA 0.839 45.928 45.100 -0.019 0.000 0.740 71 G HN 0.600 nan 8.290 nan 0.000 0.516 72 Q N 0.075 119.870 119.800 -0.008 0.000 2.413 72 Q HA 0.541 4.879 4.340 -0.003 0.000 0.276 72 Q C -2.664 173.352 176.000 0.027 0.000 1.099 72 Q CA -2.088 53.718 55.803 0.006 0.000 0.814 72 Q CB 2.638 31.371 28.738 -0.010 0.000 1.379 72 Q HN 0.111 nan 8.270 nan 0.000 0.436 73 P HA -0.016 nan 4.420 nan 0.000 0.261 73 P C -0.750 176.581 177.300 0.051 0.000 1.173 73 P CA 0.664 63.794 63.100 0.051 0.000 0.760 73 P CB 0.278 31.987 31.700 0.015 0.000 0.783 74 L N 5.808 127.095 121.223 0.106 0.000 2.313 74 L HA 0.425 4.763 4.340 -0.003 0.000 0.283 74 L C -2.177 174.732 176.870 0.064 0.000 1.013 74 L CA -2.361 52.531 54.840 0.087 0.000 0.816 74 L CB 2.091 44.233 42.059 0.138 0.000 1.236 74 L HN 0.169 nan 8.230 nan 0.000 0.419 75 P HA 0.120 nan 4.420 nan 0.000 0.290 75 P C -0.435 176.908 177.300 0.071 0.000 1.276 75 P CA -0.505 62.619 63.100 0.039 0.000 0.808 75 P CB 1.518 33.238 31.700 0.033 0.000 0.966 76 V N 0.646 120.598 119.914 0.064 0.000 2.425 76 V HA 0.284 4.402 4.120 -0.003 0.000 0.276 76 V C 1.416 177.534 176.094 0.040 0.000 1.017 76 V CA 0.468 62.816 62.300 0.079 0.000 1.062 76 V CB -0.613 31.266 31.823 0.092 0.000 0.997 76 V HN 0.648 nan 8.190 nan 0.000 0.476 77 A N 3.880 126.721 122.820 0.036 0.000 1.970 77 A HA 0.571 4.889 4.320 -0.003 0.000 0.216 77 A C 1.419 178.907 177.584 -0.161 0.000 1.170 77 A CA 1.208 53.248 52.037 0.006 0.000 0.645 77 A CB -0.360 18.720 19.000 0.133 0.000 0.816 77 A HN 1.477 nan 8.150 nan 0.000 0.447 78 G N -1.269 107.280 108.800 -0.419 0.000 2.772 78 G HA2 0.533 4.491 3.960 -0.003 0.000 0.284 78 G HA3 0.533 4.491 3.960 -0.003 0.000 0.284 78 G C -1.407 173.236 174.900 -0.428 0.000 1.217 78 G CA -0.017 44.742 45.100 -0.568 0.000 0.831 78 G HN 0.747 nan 8.290 nan 0.000 0.523 79 K N -1.736 118.444 120.400 -0.367 0.000 2.587 79 K HA 0.697 5.015 4.320 -0.003 0.000 0.276 79 K C -1.436 175.106 176.600 -0.097 0.000 0.956 79 K CA -0.560 55.610 56.287 -0.196 0.000 0.857 79 K CB 1.676 34.161 32.500 -0.024 0.000 1.431 79 K HN 0.968 nan 8.250 nan 0.000 0.420 80 S N 2.167 117.759 115.700 -0.181 0.000 2.672 80 S HA 0.728 5.196 4.470 -0.003 0.000 0.291 80 S C -1.481 172.987 174.600 -0.220 0.000 1.145 80 S CA -0.602 57.525 58.200 -0.122 0.000 1.013 80 S CB 0.270 63.385 63.200 -0.142 0.000 1.017 80 S HN 0.496 nan 8.310 nan 0.000 0.487 81 F N 2.252 122.168 119.950 -0.057 0.000 2.790 81 F HA 0.717 5.242 4.527 -0.003 0.000 0.386 81 F C 1.778 177.569 175.800 -0.016 0.000 1.206 81 F CA -0.282 57.695 58.000 -0.038 0.000 1.109 81 F CB 0.369 39.350 39.000 -0.033 0.000 1.469 81 F HN 0.721 nan 8.300 nan 0.000 0.513 82 A N 0.710 123.712 122.820 0.303 0.000 1.906 82 A HA -0.237 4.081 4.320 -0.003 0.000 0.236 82 A C 1.732 179.394 177.584 0.130 0.000 1.793 82 A CA 2.625 54.766 52.037 0.174 0.000 0.813 82 A CB -1.708 17.375 19.000 0.139 0.000 0.841 82 A HN 1.052 nan 8.150 nan 0.000 0.491 83 G N -1.367 107.496 108.800 0.105 0.000 4.100 83 G HA2 0.443 4.401 3.960 -0.003 0.000 0.294 83 G HA3 0.443 4.401 3.960 -0.003 0.000 0.294 83 G C 0.085 175.014 174.900 0.048 0.000 1.040 83 G CA 0.502 45.643 45.100 0.069 0.000 0.829 83 G HN 0.694 nan 8.290 nan 0.000 0.505 84 Q N 1.115 120.954 119.800 0.065 0.000 2.788 84 Q HA 0.303 4.641 4.340 -0.003 0.000 0.261 84 Q C -2.865 173.130 176.000 -0.009 0.000 1.029 84 Q CA -2.099 53.738 55.803 0.056 0.000 0.848 84 Q CB 1.938 30.725 28.738 0.082 0.000 1.185 84 Q HN 0.130 nan 8.270 nan 0.000 0.482 85 P HA -0.121 nan 4.420 nan 0.000 0.271 85 P C -0.930 176.161 177.300 -0.349 0.000 1.233 85 P CA 0.012 63.016 63.100 -0.161 0.000 0.795 85 P CB 0.449 32.071 31.700 -0.129 0.000 0.936 86 Y N 1.328 121.382 120.300 -0.410 0.000 2.593 86 Y HA 0.191 4.739 4.550 -0.003 0.000 0.331 86 Y C 0.765 176.424 175.900 -0.402 0.000 0.986 86 Y CA -0.522 57.294 58.100 -0.473 0.000 1.262 86 Y CB -0.318 37.925 38.460 -0.362 0.000 1.098 86 Y HN 0.327 nan 8.280 nan 0.000 0.506 87 H N 4.108 122.857 119.070 -0.535 0.000 2.595 87 H HA 0.550 5.104 4.556 -0.003 0.000 0.264 87 H C 0.190 175.168 175.328 -0.584 0.000 1.503 87 H CA -0.059 55.723 56.048 -0.443 0.000 1.142 87 H CB -0.096 29.519 29.762 -0.246 0.000 1.554 87 H HN 0.759 nan 8.280 nan 0.000 0.501 88 G N 0.805 108.998 108.800 -1.012 0.000 2.733 88 G HA2 0.346 4.304 3.960 -0.003 0.000 0.288 88 G HA3 0.346 4.304 3.960 -0.003 0.000 0.288 88 G C -0.945 173.823 174.900 -0.220 0.000 1.373 88 G CA -1.145 43.563 45.100 -0.653 0.000 0.895 88 G HN 0.328 nan 8.290 nan 0.000 0.479 89 E N -0.561 119.668 120.200 0.049 0.000 2.452 89 E HA 0.084 4.432 4.350 -0.003 0.000 0.261 89 E C -0.999 175.850 176.600 0.414 0.000 0.987 89 E CA -0.138 56.383 56.400 0.201 0.000 0.926 89 E CB 1.025 30.819 29.700 0.155 0.000 0.934 89 E HN 0.355 nan 8.360 nan 0.000 0.452 90 W N 5.552 126.956 121.300 0.173 0.000 2.227 90 W HA 0.308 4.966 4.660 -0.003 0.000 0.308 90 W C -2.274 174.289 176.519 0.074 0.000 0.882 90 W CA -3.222 54.213 57.345 0.150 0.000 1.707 90 W CB -0.259 29.282 29.460 0.135 0.000 1.782 90 W HN 0.502 nan 8.180 nan 0.000 0.385 91 P HA 0.003 nan 4.420 nan 0.000 0.266 91 P C 0.050 177.327 177.300 -0.038 0.000 1.180 91 P CA 0.449 63.615 63.100 0.110 0.000 0.765 91 P CB 0.532 32.303 31.700 0.118 0.000 0.806 92 A N 1.826 124.601 122.820 -0.075 0.000 2.406 92 A HA 0.460 4.778 4.320 -0.003 0.000 0.243 92 A C 1.607 179.109 177.584 -0.137 0.000 1.082 92 A CA 0.376 52.320 52.037 -0.155 0.000 0.786 92 A CB -0.914 18.020 19.000 -0.109 0.000 1.029 92 A HN 0.929 nan 8.150 nan 0.000 0.495 93 G N -0.210 108.481 108.800 -0.182 0.000 2.196 93 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.268 93 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.268 93 G C 0.708 175.554 174.900 -0.091 0.000 0.975 93 G CA 1.857 46.878 45.100 -0.133 0.000 0.648 93 G HN 2.173 nan 8.290 nan 0.000 0.538 94 T N -1.935 112.569 114.554 -0.084 0.000 2.897 94 T HA 0.685 5.033 4.350 -0.003 0.000 0.278 94 T C 0.497 175.293 174.700 0.161 0.000 0.981 94 T CA 0.084 62.219 62.100 0.058 0.000 0.973 94 T CB 2.285 71.242 68.868 0.148 0.000 1.092 94 T HN 1.677 nan 8.240 nan 0.000 0.543 95 C N 0.888 120.393 119.300 0.340 0.000 3.090 95 C HA 0.821 5.279 4.460 -0.003 0.000 0.305 95 C C -0.921 174.306 174.990 0.394 0.000 1.292 95 C CA -1.171 58.157 59.018 0.516 0.000 1.482 95 C CB 0.454 28.452 27.740 0.430 0.000 1.897 95 C HN 0.855 nan 8.230 nan 0.000 0.469 96 I N 2.223 122.956 120.570 0.272 0.000 2.392 96 I HA 0.482 4.650 4.170 -0.003 0.000 0.295 96 I C 0.405 176.529 176.117 0.012 0.000 0.985 96 I CA -0.142 61.104 61.300 -0.091 0.000 1.221 96 I CB 1.360 39.048 38.000 -0.520 0.000 1.366 96 I HN 0.879 nan 8.210 nan 0.000 0.467 97 R N 6.099 126.559 120.500 -0.067 0.000 2.347 97 R HA 0.538 4.876 4.340 -0.003 0.000 0.304 97 R C -1.165 174.912 176.300 -0.372 0.000 1.072 97 R CA 0.243 56.215 56.100 -0.213 0.000 0.980 97 R CB 0.310 30.527 30.300 -0.138 0.000 0.986 97 R HN 0.702 nan 8.270 nan 0.000 0.448 98 I N 4.215 124.508 120.570 -0.461 0.000 2.769 98 I HA 0.424 4.592 4.170 -0.003 0.000 0.298 98 I C -1.435 174.366 176.117 -0.527 0.000 1.128 98 I CA -1.347 59.675 61.300 -0.464 0.000 1.031 98 I CB 1.984 39.821 38.000 -0.270 0.000 1.235 98 I HN 0.666 nan 8.210 nan 0.000 0.423 99 M N 4.630 123.875 119.600 -0.592 0.000 2.321 99 M HA 0.391 4.869 4.480 -0.003 0.000 0.315 99 M C -0.270 175.925 176.300 -0.176 0.000 1.052 99 M CA -0.207 54.843 55.300 -0.417 0.000 0.936 99 M CB 1.946 34.218 32.600 -0.546 0.000 1.639 99 M HN 0.570 nan 8.290 nan 0.000 0.433 100 T N 3.090 117.587 114.554 -0.094 0.000 2.772 100 T HA 0.202 4.550 4.350 -0.003 0.000 0.268 100 T C 1.195 175.904 174.700 0.014 0.000 1.025 100 T CA 1.896 63.979 62.100 -0.029 0.000 1.139 100 T CB -0.249 68.612 68.868 -0.010 0.000 1.053 100 T HN 1.106 nan 8.240 nan 0.000 0.483 101 G N 1.249 110.070 108.800 0.036 0.000 2.234 101 G HA2 -0.116 3.842 3.960 -0.003 0.000 0.260 101 G HA3 -0.116 3.842 3.960 -0.003 0.000 0.260 101 G C 0.268 175.252 174.900 0.141 0.000 0.987 101 G CA 0.146 45.295 45.100 0.081 0.000 0.625 101 G HN 1.364 nan 8.290 nan 0.000 0.532 102 A N 1.675 124.539 122.820 0.074 0.000 2.363 102 A HA 0.688 5.006 4.320 -0.003 0.000 0.270 102 A C -1.613 176.009 177.584 0.064 0.000 1.121 102 A CA -0.932 51.135 52.037 0.051 0.000 0.800 102 A CB 0.574 19.541 19.000 -0.056 0.000 1.052 102 A HN 0.229 nan 8.150 nan 0.000 0.493 103 P HA 0.166 nan 4.420 nan 0.000 0.267 103 P C 0.409 177.688 177.300 -0.034 0.000 1.209 103 P CA 0.143 63.235 63.100 -0.013 0.000 0.763 103 P CB 0.453 31.964 31.700 -0.316 0.000 0.816 104 V N 2.784 122.708 119.914 0.017 0.000 3.139 104 V HA 0.251 4.369 4.120 -0.003 0.000 0.307 104 V C -2.061 174.000 176.094 -0.055 0.000 1.095 104 V CA -1.237 61.054 62.300 -0.015 0.000 1.160 104 V CB -0.808 31.038 31.823 0.038 0.000 1.003 104 V HN 0.456 nan 8.190 nan 0.000 0.489 105 P HA 0.231 nan 4.420 nan 0.000 0.281 105 P C -0.421 176.866 177.300 -0.022 0.000 1.249 105 P CA -0.430 62.566 63.100 -0.172 0.000 0.810 105 P CB 0.609 31.987 31.700 -0.536 0.000 1.008 106 E N 1.105 121.321 120.200 0.027 0.000 2.729 106 E HA 0.065 4.413 4.350 -0.003 0.000 0.246 106 E C 1.323 178.070 176.600 0.245 0.000 0.984 106 E CA 1.622 58.088 56.400 0.110 0.000 0.951 106 E CB -0.652 29.103 29.700 0.092 0.000 0.914 106 E HN 0.816 nan 8.360 nan 0.000 0.509 107 G N 3.326 112.255 108.800 0.215 0.000 2.141 107 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.242 107 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.242 107 G C 0.520 175.619 174.900 0.331 0.000 0.982 107 G CA 0.032 45.280 45.100 0.247 0.000 0.662 107 G HN 0.703 nan 8.290 nan 0.000 0.527 108 C N 0.711 120.220 119.300 0.349 0.000 2.629 108 C HA 0.611 5.069 4.460 -0.003 0.000 0.410 108 C C 1.666 176.771 174.990 0.192 0.000 1.339 108 C CA 0.593 59.826 59.018 0.358 0.000 1.810 108 C CB 0.058 27.939 27.740 0.235 0.000 2.549 108 C HN 0.557 nan 8.230 nan 0.000 0.589 109 E N 2.884 123.177 120.200 0.154 0.000 2.431 109 E HA 0.382 4.730 4.350 -0.003 0.000 0.200 109 E C 0.437 177.082 176.600 0.076 0.000 0.995 109 E CA 0.542 56.991 56.400 0.082 0.000 0.915 109 E CB 0.579 30.299 29.700 0.034 0.000 0.930 109 E HN 0.849 nan 8.360 nan 0.000 0.496 110 A N -0.044 122.838 122.820 0.104 0.000 2.586 110 A HA 0.571 4.889 4.320 -0.003 0.000 0.291 110 A C -1.602 176.061 177.584 0.132 0.000 1.062 110 A CA -0.695 51.399 52.037 0.096 0.000 0.666 110 A CB 1.311 20.354 19.000 0.071 0.000 1.281 110 A HN -0.048 nan 8.150 nan 0.000 0.421 111 V N 0.386 120.370 119.914 0.117 0.000 2.656 111 V HA 0.683 4.801 4.120 -0.003 0.000 0.307 111 V C -0.619 175.559 176.094 0.140 0.000 1.051 111 V CA -0.626 61.750 62.300 0.127 0.000 0.893 111 V CB 1.717 33.581 31.823 0.068 0.000 0.999 111 V HN 0.887 nan 8.190 nan 0.000 0.426 112 V N 4.632 124.664 119.914 0.198 0.000 2.540 112 V HA 0.475 4.593 4.120 -0.003 0.000 0.302 112 V C 0.156 176.323 176.094 0.123 0.000 1.035 112 V CA -0.730 61.685 62.300 0.192 0.000 0.873 112 V CB 1.869 33.888 31.823 0.327 0.000 0.992 112 V HN 0.985 nan 8.190 nan 0.000 0.428 113 M N 3.758 123.399 119.600 0.069 0.000 2.246 113 M HA 0.255 4.733 4.480 -0.003 0.000 0.350 113 M C 1.312 177.637 176.300 0.042 0.000 1.406 113 M CA -0.011 55.303 55.300 0.023 0.000 1.089 113 M CB 0.660 33.269 32.600 0.015 0.000 1.782 113 M HN 0.877 nan 8.290 nan 0.000 0.457 114 Q N 2.789 122.607 119.800 0.030 0.000 2.248 114 Q HA -0.231 4.108 4.340 -0.003 0.000 0.208 114 Q C 0.563 176.588 176.000 0.041 0.000 0.984 114 Q CA 2.575 58.447 55.803 0.114 0.000 0.875 114 Q CB -0.516 28.283 28.738 0.101 0.000 0.910 114 Q HN 0.930 nan 8.270 nan 0.000 0.433 115 E N 1.260 121.470 120.200 0.016 0.000 2.268 115 E HA -0.166 4.182 4.350 -0.003 0.000 0.195 115 E C 1.461 178.062 176.600 0.003 0.000 0.995 115 E CA 1.316 57.720 56.400 0.007 0.000 0.836 115 E CB -0.187 29.516 29.700 0.005 0.000 0.763 115 E HN 0.643 nan 8.360 nan 0.000 0.491 116 Q N 0.883 120.687 119.800 0.007 0.000 2.222 116 Q HA 0.055 4.393 4.340 -0.003 0.000 0.206 116 Q C -0.734 175.253 176.000 -0.021 0.000 0.877 116 Q CA 0.202 56.011 55.803 0.010 0.000 0.958 116 Q CB 0.392 29.152 28.738 0.037 0.000 1.075 116 Q HN 0.182 nan 8.270 nan 0.000 0.483 117 T N -2.397 112.114 114.554 -0.072 0.000 3.566 117 T HA 0.235 4.583 4.350 -0.003 0.000 0.330 117 T C -0.865 173.734 174.700 -0.167 0.000 0.877 117 T CA -0.912 61.072 62.100 -0.194 0.000 1.030 117 T CB 1.149 69.719 68.868 -0.496 0.000 1.033 117 T HN 0.185 nan 8.240 nan 0.000 0.463 118 E N 2.505 122.636 120.200 -0.114 0.000 2.414 118 E HA 0.273 4.621 4.350 -0.003 0.000 0.263 118 E C 0.643 177.165 176.600 -0.131 0.000 1.000 118 E CA 0.163 56.513 56.400 -0.085 0.000 0.914 118 E CB 0.667 30.337 29.700 -0.052 0.000 0.948 118 E HN 0.566 nan 8.360 nan 0.000 0.444 119 Q N 2.854 122.594 119.800 -0.101 0.000 2.418 119 Q HA 0.555 4.893 4.340 -0.003 0.000 0.178 119 Q C -0.377 175.570 176.000 -0.088 0.000 1.141 119 Q CA 0.177 55.907 55.803 -0.123 0.000 1.190 119 Q CB 0.352 29.059 28.738 -0.052 0.000 1.658 119 Q HN 0.766 nan 8.270 nan 0.000 0.626 120 M N -1.367 118.193 119.600 -0.066 0.000 2.918 120 M HA 0.119 4.597 4.480 -0.003 0.000 0.272 120 M C -1.517 174.768 176.300 -0.026 0.000 1.082 120 M CA -0.257 55.019 55.300 -0.040 0.000 0.799 120 M CB 1.713 34.287 32.600 -0.042 0.000 1.659 120 M HN 0.444 nan 8.290 nan 0.000 0.533 121 D N 1.064 121.456 120.400 -0.013 0.000 2.561 121 D HA 0.277 4.915 4.640 -0.003 0.000 0.232 121 D C 0.047 176.346 176.300 -0.003 0.000 1.198 121 D CA 0.156 54.154 54.000 -0.004 0.000 0.826 121 D CB 0.017 40.817 40.800 0.000 0.000 0.992 121 D HN 0.505 nan 8.370 nan 0.000 0.490 122 N N -0.689 118.006 118.700 -0.008 0.000 1.872 122 N HA 0.126 4.864 4.740 -0.003 0.000 0.223 122 N C 0.355 175.862 175.510 -0.006 0.000 1.424 122 N CA -0.437 52.611 53.050 -0.003 0.000 0.710 122 N CB 1.330 39.816 38.487 -0.002 0.000 1.074 122 N HN 0.123 nan 8.380 nan 0.000 0.544 123 G N 0.623 109.411 108.800 -0.021 0.000 2.384 123 G HA2 0.310 4.268 3.960 -0.003 0.000 0.300 123 G HA3 0.310 4.268 3.960 -0.003 0.000 0.300 123 G C -1.806 173.053 174.900 -0.069 0.000 1.582 123 G CA -0.524 44.561 45.100 -0.024 0.000 0.875 123 G HN -0.042 nan 8.290 nan 0.000 0.628 124 V N 2.128 121.983 119.914 -0.100 0.000 2.385 124 V HA 0.443 4.561 4.120 -0.003 0.000 0.269 124 V C 0.876 176.895 176.094 -0.126 0.000 1.043 124 V CA -0.484 61.656 62.300 -0.267 0.000 0.906 124 V CB 1.145 32.589 31.823 -0.632 0.000 0.995 124 V HN 0.652 nan 8.190 nan 0.000 0.467 125 R N 3.473 123.874 120.500 -0.164 0.000 2.265 125 R HA 0.432 4.770 4.340 -0.003 0.000 0.314 125 R C -0.791 175.430 176.300 -0.131 0.000 1.053 125 R CA -0.188 55.896 56.100 -0.027 0.000 0.931 125 R CB 0.660 30.938 30.300 -0.038 0.000 1.024 125 R HN 0.513 nan 8.270 nan 0.000 0.457 126 F N 0.201 120.112 119.950 -0.065 0.000 2.363 126 F HA 0.421 4.946 4.527 -0.003 0.000 0.332 126 F C 1.497 177.284 175.800 -0.022 0.000 1.039 126 F CA -0.099 57.876 58.000 -0.041 0.000 1.127 126 F CB 0.786 39.766 39.000 -0.033 0.000 1.701 126 F HN 0.485 nan 8.300 nan 0.000 0.532 127 T N -1.426 113.245 114.554 0.194 0.000 3.313 127 T HA 0.356 4.704 4.350 -0.003 0.000 0.100 127 T C -0.481 174.271 174.700 0.087 0.000 0.720 127 T CA 0.134 62.293 62.100 0.098 0.000 0.639 127 T CB -0.755 68.143 68.868 0.049 0.000 1.286 127 T HN 0.536 nan 8.240 nan 0.000 0.246 128 A N 2.126 124.989 122.820 0.072 0.000 2.546 128 A HA 0.434 4.752 4.320 -0.003 0.000 0.243 128 A C 0.322 177.947 177.584 0.068 0.000 1.063 128 A CA 0.089 52.160 52.037 0.057 0.000 0.757 128 A CB -0.359 18.670 19.000 0.049 0.000 0.991 128 A HN 0.490 nan 8.150 nan 0.000 0.503 129 E N 1.223 121.449 120.200 0.044 0.000 2.598 129 E HA 0.076 4.424 4.350 -0.003 0.000 0.273 129 E C -0.470 176.156 176.600 0.044 0.000 1.029 129 E CA 0.668 57.088 56.400 0.033 0.000 0.985 129 E CB 0.292 30.001 29.700 0.015 0.000 0.988 129 E HN 0.375 nan 8.360 nan 0.000 0.460 130 V N 5.373 125.305 119.914 0.030 0.000 2.259 130 V HA 0.251 4.369 4.120 -0.003 0.000 0.267 130 V C 0.321 176.427 176.094 0.020 0.000 1.051 130 V CA -0.490 61.834 62.300 0.040 0.000 0.830 130 V CB 0.519 32.362 31.823 0.033 0.000 1.080 130 V HN 0.537 nan 8.190 nan 0.000 0.467 131 R N 2.551 123.066 120.500 0.026 0.000 2.522 131 R HA 0.189 4.527 4.340 -0.003 0.000 0.284 131 R C 0.799 177.112 176.300 0.021 0.000 1.032 131 R CA 0.406 56.516 56.100 0.018 0.000 1.049 131 R CB 0.427 30.738 30.300 0.019 0.000 0.956 131 R HN 0.704 nan 8.270 nan 0.000 0.422 132 S N 2.121 117.829 115.700 0.014 0.000 2.554 132 S HA 0.131 4.599 4.470 -0.003 0.000 0.290 132 S C 1.249 175.864 174.600 0.025 0.000 1.309 132 S CA 1.296 59.506 58.200 0.018 0.000 1.047 132 S CB 0.385 63.592 63.200 0.011 0.000 0.828 132 S HN 0.875 nan 8.310 nan 0.000 0.509 133 G N 2.127 110.947 108.800 0.034 0.000 2.196 133 G HA2 -0.337 3.621 3.960 -0.003 0.000 0.268 133 G HA3 -0.337 3.621 3.960 -0.003 0.000 0.268 133 G C 0.122 175.045 174.900 0.037 0.000 0.975 133 G CA 0.812 45.934 45.100 0.036 0.000 0.648 133 G HN 1.027 nan 8.290 nan 0.000 0.538 134 Q N 0.093 119.916 119.800 0.040 0.000 2.263 134 Q HA 0.313 4.651 4.340 -0.003 0.000 0.289 134 Q C 0.562 176.590 176.000 0.046 0.000 1.061 134 Q CA 0.480 56.308 55.803 0.041 0.000 0.927 134 Q CB 0.100 28.866 28.738 0.048 0.000 1.154 134 Q HN 0.398 nan 8.270 nan 0.000 0.378 135 N N 2.084 120.805 118.700 0.035 0.000 2.758 135 N HA -0.160 4.578 4.740 -0.003 0.000 0.248 135 N C -1.438 174.091 175.510 0.032 0.000 1.076 135 N CA 1.198 54.266 53.050 0.031 0.000 0.696 135 N CB -1.528 36.979 38.487 0.033 0.000 0.979 135 N HN 0.681 nan 8.380 nan 0.000 0.550 136 I N 0.300 120.890 120.570 0.032 0.000 2.439 136 I HA 0.264 4.432 4.170 -0.003 0.000 0.285 136 I C 0.155 176.288 176.117 0.027 0.000 1.021 136 I CA -0.640 60.682 61.300 0.037 0.000 1.091 136 I CB 1.688 39.717 38.000 0.047 0.000 1.242 136 I HN -0.177 nan 8.210 nan 0.000 0.439 137 R N 6.435 126.950 120.500 0.024 0.000 2.198 137 R HA 0.415 4.753 4.340 -0.003 0.000 0.339 137 R C -0.506 175.799 176.300 0.008 0.000 1.020 137 R CA -0.830 55.274 56.100 0.007 0.000 0.864 137 R CB 0.910 31.206 30.300 -0.007 0.000 1.105 137 R HN 0.475 nan 8.270 nan 0.000 0.463 138 R N 3.313 123.816 120.500 0.006 0.000 2.438 138 R HA 0.078 4.416 4.340 -0.003 0.000 0.287 138 R C 0.414 176.705 176.300 -0.015 0.000 1.077 138 R CA -0.546 55.559 56.100 0.010 0.000 1.034 138 R CB 0.614 30.921 30.300 0.012 0.000 0.993 138 R HN 0.629 nan 8.270 nan 0.000 0.459 139 R N 0.808 121.302 120.500 -0.010 0.000 2.587 139 R HA -0.080 4.258 4.340 -0.003 0.000 0.268 139 R C 0.672 176.946 176.300 -0.043 0.000 0.978 139 R CA 1.187 57.260 56.100 -0.045 0.000 1.097 139 R CB -0.071 30.229 30.300 -0.002 0.000 0.917 139 R HN 0.890 nan 8.270 nan 0.000 0.414 140 G N 1.926 110.687 108.800 -0.066 0.000 2.196 140 G HA2 -0.433 3.525 3.960 -0.003 0.000 0.268 140 G HA3 -0.433 3.525 3.960 -0.003 0.000 0.268 140 G C 0.692 175.562 174.900 -0.049 0.000 0.975 140 G CA 0.811 45.879 45.100 -0.054 0.000 0.648 140 G HN 0.922 nan 8.290 nan 0.000 0.538 141 E N 0.023 120.194 120.200 -0.049 0.000 2.077 141 E HA -0.152 4.196 4.350 -0.003 0.000 0.193 141 E C 1.820 178.392 176.600 -0.048 0.000 0.989 141 E CA 1.460 57.836 56.400 -0.040 0.000 0.800 141 E CB -0.085 29.595 29.700 -0.034 0.000 0.746 141 E HN 0.511 nan 8.360 nan 0.000 0.452 142 D N 0.233 120.597 120.400 -0.060 0.000 2.087 142 D HA 0.059 4.697 4.640 -0.003 0.000 0.201 142 D C 0.584 176.841 176.300 -0.071 0.000 0.980 142 D CA 1.056 55.020 54.000 -0.062 0.000 0.849 142 D CB 0.302 41.063 40.800 -0.066 0.000 1.001 142 D HN 0.186 nan 8.370 nan 0.000 0.452 143 I N 0.546 121.070 120.570 -0.076 0.000 2.478 143 I HA 0.127 4.295 4.170 -0.003 0.000 0.287 143 I C -0.680 175.396 176.117 -0.068 0.000 1.042 143 I CA -0.595 60.657 61.300 -0.081 0.000 1.067 143 I CB 2.203 40.147 38.000 -0.093 0.000 1.233 143 I HN -0.171 nan 8.210 nan 0.000 0.431 144 S N 4.484 120.148 115.700 -0.060 0.000 2.480 144 S HA 0.746 5.215 4.470 -0.003 0.000 0.286 144 S C 0.222 174.797 174.600 -0.042 0.000 1.180 144 S CA -0.873 57.300 58.200 -0.046 0.000 1.075 144 S CB 1.718 64.896 63.200 -0.037 0.000 0.996 144 S HN 0.729 nan 8.310 nan 0.000 0.487 145 A N 2.221 125.021 122.820 -0.033 0.000 2.561 145 A HA 0.490 4.808 4.320 -0.003 0.000 0.234 145 A C 1.588 179.158 177.584 -0.024 0.000 1.055 145 A CA 0.299 52.320 52.037 -0.026 0.000 0.756 145 A CB -1.186 17.805 19.000 -0.016 0.000 0.986 145 A HN 2.377 nan 8.150 nan 0.000 0.505 146 G N 0.311 109.097 108.800 -0.023 0.000 2.241 146 G HA2 0.134 4.092 3.960 -0.003 0.000 0.244 146 G HA3 0.134 4.092 3.960 -0.003 0.000 0.244 146 G C 0.678 175.562 174.900 -0.026 0.000 0.998 146 G CA 0.653 45.741 45.100 -0.020 0.000 0.621 146 G HN 2.248 nan 8.290 nan 0.000 0.519 147 A N -0.147 122.651 122.820 -0.038 0.000 2.332 147 A HA 0.691 5.009 4.320 -0.003 0.000 0.258 147 A C 0.518 178.066 177.584 -0.060 0.000 1.087 147 A CA 0.346 52.353 52.037 -0.049 0.000 0.802 147 A CB 1.073 20.037 19.000 -0.061 0.000 1.042 147 A HN 1.105 nan 8.150 nan 0.000 0.489 148 V N 2.868 122.744 119.914 -0.064 0.000 2.368 148 V HA 0.118 4.236 4.120 -0.003 0.000 0.266 148 V C 1.108 177.120 176.094 -0.135 0.000 1.045 148 V CA -0.014 62.245 62.300 -0.069 0.000 0.899 148 V CB 0.870 32.668 31.823 -0.043 0.000 1.006 148 V HN 0.735 nan 8.190 nan 0.000 0.470 149 V N 5.471 125.269 119.914 -0.193 0.000 2.273 149 V HA 0.097 4.215 4.120 -0.003 0.000 0.242 149 V C 0.393 176.089 176.094 -0.663 0.000 1.035 149 V CA 1.367 63.399 62.300 -0.446 0.000 1.013 149 V CB -0.208 31.337 31.823 -0.465 0.000 0.652 149 V HN 0.649 nan 8.190 nan 0.000 0.452 150 F N 1.200 121.139 119.950 -0.018 0.000 2.518 150 F HA 0.536 5.061 4.527 -0.003 0.000 0.323 150 F C -2.539 173.249 175.800 -0.020 0.000 1.129 150 F CA -2.524 55.463 58.000 -0.022 0.000 0.920 150 F CB 2.009 40.993 39.000 -0.027 0.000 1.160 150 F HN -0.039 nan 8.300 nan 0.000 0.440 151 P HA 0.236 nan 4.420 nan 0.000 0.277 151 P C -0.716 176.626 177.300 0.069 0.000 1.240 151 P CA -0.319 62.830 63.100 0.081 0.000 0.798 151 P CB 1.096 32.828 31.700 0.054 0.000 0.979 152 A N 1.515 124.360 122.820 0.042 0.000 2.520 152 A HA 0.412 4.730 4.320 -0.003 0.000 0.235 152 A C 1.455 179.048 177.584 0.015 0.000 1.065 152 A CA 0.901 52.953 52.037 0.025 0.000 0.764 152 A CB -1.479 17.532 19.000 0.018 0.000 1.002 152 A HN 0.912 nan 8.150 nan 0.000 0.502 153 G N 1.048 109.849 108.800 0.001 0.000 2.176 153 G HA2 -0.177 3.781 3.960 -0.003 0.000 0.232 153 G HA3 -0.177 3.781 3.960 -0.003 0.000 0.232 153 G C 0.362 175.249 174.900 -0.021 0.000 0.986 153 G CA 0.383 45.478 45.100 -0.009 0.000 0.643 153 G HN 1.208 nan 8.290 nan 0.000 0.522 154 T N 1.029 115.569 114.554 -0.023 0.000 2.817 154 T HA 0.482 4.830 4.350 -0.003 0.000 0.293 154 T C 0.522 175.157 174.700 -0.108 0.000 0.964 154 T CA -0.281 61.787 62.100 -0.053 0.000 1.085 154 T CB 1.478 70.323 68.868 -0.038 0.000 0.921 154 T HN 0.464 nan 8.240 nan 0.000 0.502 155 R N 3.825 124.249 120.500 -0.127 0.000 2.248 155 R HA 0.258 4.596 4.340 -0.003 0.000 0.328 155 R C -0.287 175.855 176.300 -0.264 0.000 1.067 155 R CA -0.456 55.543 56.100 -0.168 0.000 0.924 155 R CB -0.050 30.164 30.300 -0.144 0.000 1.013 155 R HN 0.590 nan 8.270 nan 0.000 0.454 156 L N 4.168 125.212 121.223 -0.298 0.000 2.410 156 L HA 0.191 4.529 4.340 -0.003 0.000 0.273 156 L C 0.532 177.060 176.870 -0.569 0.000 1.152 156 L CA 0.298 54.905 54.840 -0.387 0.000 0.855 156 L CB 1.134 43.015 42.059 -0.296 0.000 1.129 156 L HN 0.730 nan 8.230 nan 0.000 0.463 157 T N -0.064 114.170 114.554 -0.532 0.000 2.716 157 T HA 0.170 4.518 4.350 -0.003 0.000 0.286 157 T C 1.038 175.573 174.700 -0.274 0.000 1.052 157 T CA -0.435 61.293 62.100 -0.621 0.000 1.024 157 T CB 1.819 70.450 68.868 -0.394 0.000 1.349 157 T HN 0.610 nan 8.240 nan 0.000 0.525 158 T N 1.515 116.053 114.554 -0.028 0.000 2.929 158 T HA -0.030 4.318 4.350 -0.003 0.000 0.271 158 T C 1.973 176.674 174.700 0.002 0.000 1.085 158 T CA 1.206 63.351 62.100 0.075 0.000 1.125 158 T CB -0.351 68.611 68.868 0.156 0.000 0.874 158 T HN 0.593 nan 8.240 nan 0.000 0.494 159 A N 1.282 124.076 122.820 -0.044 0.000 1.968 159 A HA -0.027 4.291 4.320 -0.003 0.000 0.217 159 A C 2.153 179.702 177.584 -0.058 0.000 1.169 159 A CA 1.250 53.268 52.037 -0.031 0.000 0.638 159 A CB -0.166 18.815 19.000 -0.032 0.000 0.812 159 A HN 0.433 nan 8.150 nan 0.000 0.446 160 E N -0.398 119.663 120.200 -0.231 0.000 2.206 160 E HA 0.195 4.543 4.350 -0.003 0.000 0.195 160 E C 1.806 178.273 176.600 -0.222 0.000 0.935 160 E CA 0.217 56.342 56.400 -0.457 0.000 0.875 160 E CB -0.339 28.649 29.700 -1.186 0.000 0.841 160 E HN 0.461 nan 8.360 nan 0.000 0.477 161 L N 1.284 122.397 121.223 -0.184 0.000 2.043 161 L HA -0.147 4.191 4.340 -0.003 0.000 0.212 161 L C -0.719 176.154 176.870 0.005 0.000 1.075 161 L CA 1.437 56.231 54.840 -0.077 0.000 0.752 161 L CB -1.278 40.743 42.059 -0.063 0.000 0.891 161 L HN 0.179 nan 8.230 nan 0.000 0.432 162 P HA -0.080 nan 4.420 nan 0.000 0.221 162 P C 1.877 179.219 177.300 0.069 0.000 1.150 162 P CA 0.831 63.957 63.100 0.043 0.000 0.800 162 P CB 0.125 31.850 31.700 0.042 0.000 0.787 163 V N -0.215 119.767 119.914 0.113 0.000 2.379 163 V HA -0.191 3.927 4.120 -0.003 0.000 0.245 163 V C 2.305 178.494 176.094 0.159 0.000 1.044 163 V CA 1.488 63.886 62.300 0.163 0.000 1.036 163 V CB -0.951 31.063 31.823 0.320 0.000 0.664 163 V HN 0.039 nan 8.190 nan 0.000 0.453 164 I N 0.558 121.243 120.570 0.192 0.000 2.361 164 I HA -0.221 3.947 4.170 -0.003 0.000 0.251 164 I C 2.568 178.731 176.117 0.077 0.000 1.133 164 I CA 1.426 62.813 61.300 0.146 0.000 1.413 164 I CB -0.518 37.557 38.000 0.125 0.000 1.073 164 I HN 0.287 nan 8.210 nan 0.000 0.424 165 A N 0.445 123.301 122.820 0.061 0.000 1.968 165 A HA -0.182 4.136 4.320 -0.003 0.000 0.217 165 A C 2.472 180.078 177.584 0.037 0.000 1.169 165 A CA 1.700 53.762 52.037 0.042 0.000 0.638 165 A CB -0.661 18.360 19.000 0.036 0.000 0.812 165 A HN 0.493 nan 8.150 nan 0.000 0.446 166 S N -0.014 115.711 115.700 0.041 0.000 2.447 166 S HA -0.026 4.442 4.470 -0.003 0.000 0.233 166 S C 1.513 176.125 174.600 0.019 0.000 1.006 166 S CA 1.205 59.422 58.200 0.028 0.000 0.957 166 S CB -0.548 62.669 63.200 0.028 0.000 0.773 166 S HN 0.473 nan 8.310 nan 0.000 0.507 167 L N 0.565 121.802 121.223 0.024 0.000 2.591 167 L HA 0.340 4.678 4.340 -0.003 0.000 0.228 167 L C 2.008 178.888 176.870 0.016 0.000 1.133 167 L CA 0.388 55.236 54.840 0.014 0.000 0.880 167 L CB -0.868 41.200 42.059 0.015 0.000 1.033 167 L HN 0.610 nan 8.230 nan 0.000 0.450 168 G N 0.893 109.705 108.800 0.021 0.000 2.195 168 G HA2 -0.282 3.676 3.960 -0.003 0.000 0.246 168 G HA3 -0.282 3.676 3.960 -0.003 0.000 0.246 168 G C 0.316 175.229 174.900 0.021 0.000 0.984 168 G CA -0.239 44.873 45.100 0.019 0.000 0.633 168 G HN 0.288 nan 8.290 nan 0.000 0.525 169 I N 1.438 122.023 120.570 0.025 0.000 2.533 169 I HA 0.412 4.580 4.170 -0.003 0.000 0.284 169 I C 1.607 177.739 176.117 0.025 0.000 1.109 169 I CA 0.422 61.737 61.300 0.026 0.000 1.412 169 I CB 1.416 39.436 38.000 0.033 0.000 1.396 169 I HN 0.183 nan 8.210 nan 0.000 0.543 170 A N 5.825 128.658 122.820 0.021 0.000 2.115 170 A HA 0.162 4.480 4.320 -0.003 0.000 0.211 170 A C 0.490 178.084 177.584 0.017 0.000 1.169 170 A CA 0.424 52.472 52.037 0.019 0.000 0.787 170 A CB 0.045 19.055 19.000 0.016 0.000 0.858 170 A HN 0.807 nan 8.150 nan 0.000 0.474 171 E N -0.982 119.228 120.200 0.017 0.000 2.413 171 E HA 0.584 4.932 4.350 -0.003 0.000 0.277 171 E C -1.205 175.404 176.600 0.015 0.000 0.958 171 E CA -0.989 55.420 56.400 0.014 0.000 0.779 171 E CB 2.062 31.770 29.700 0.013 0.000 1.278 171 E HN 0.320 nan 8.360 nan 0.000 0.456 172 V N -2.918 117.003 119.914 0.011 0.000 3.049 172 V HA 0.663 4.781 4.120 -0.003 0.000 0.309 172 V C -2.893 173.205 176.094 0.007 0.000 1.148 172 V CA -2.635 59.672 62.300 0.012 0.000 0.990 172 V CB 1.840 33.669 31.823 0.010 0.000 1.039 172 V HN 0.619 nan 8.190 nan 0.000 0.430 173 P HA 0.463 nan 4.420 nan 0.000 0.281 173 P C -0.568 176.733 177.300 0.001 0.000 1.252 173 P CA -0.082 63.022 63.100 0.007 0.000 0.778 173 P CB 1.544 33.250 31.700 0.009 0.000 0.895 174 V N 1.503 121.417 119.914 -0.001 0.000 3.001 174 V HA 0.532 4.650 4.120 -0.003 0.000 0.314 174 V C 0.076 176.169 176.094 -0.002 0.000 1.099 174 V CA -1.435 60.861 62.300 -0.007 0.000 0.989 174 V CB 1.663 33.478 31.823 -0.014 0.000 1.040 174 V HN 0.248 nan 8.190 nan 0.000 0.434 175 I N 3.437 124.005 120.570 -0.003 0.000 2.588 175 I HA 0.304 4.472 4.170 -0.003 0.000 0.283 175 I C 1.217 177.336 176.117 0.005 0.000 1.119 175 I CA 0.095 61.397 61.300 0.003 0.000 1.419 175 I CB 0.705 38.706 38.000 0.002 0.000 1.394 175 I HN 0.920 nan 8.210 nan 0.000 0.562 176 R N 6.720 127.226 120.500 0.010 0.000 2.697 176 R HA 0.077 4.415 4.340 -0.003 0.000 0.265 176 R C -0.526 175.781 176.300 0.013 0.000 1.009 176 R CA -0.252 55.855 56.100 0.012 0.000 1.099 176 R CB 0.292 30.601 30.300 0.015 0.000 0.965 176 R HN 0.423 nan 8.270 nan 0.000 0.428 177 K N 1.699 122.107 120.400 0.013 0.000 2.469 177 K HA 0.037 4.355 4.320 -0.003 0.000 0.274 177 K C -0.239 176.372 176.600 0.017 0.000 0.983 177 K CA -0.338 55.957 56.287 0.013 0.000 0.974 177 K CB 0.677 33.184 32.500 0.013 0.000 0.913 177 K HN 0.328 nan 8.250 nan 0.000 0.493 178 V N 3.710 123.635 119.914 0.018 0.000 2.555 178 V HA 0.048 4.166 4.120 -0.003 0.000 0.286 178 V C 0.614 176.722 176.094 0.024 0.000 1.044 178 V CA -0.096 62.220 62.300 0.027 0.000 1.026 178 V CB 0.488 32.328 31.823 0.028 0.000 0.981 178 V HN 0.630 nan 8.190 nan 0.000 0.480 179 R N 3.587 124.106 120.500 0.031 0.000 2.265 179 R HA 0.649 4.987 4.340 -0.003 0.000 0.319 179 R C -1.282 175.034 176.300 0.028 0.000 1.006 179 R CA -0.524 55.590 56.100 0.023 0.000 0.880 179 R CB 1.589 31.904 30.300 0.025 0.000 1.077 179 R HN 0.512 nan 8.270 nan 0.000 0.454 180 V N 2.133 122.051 119.914 0.007 0.000 2.531 180 V HA 0.472 4.590 4.120 -0.003 0.000 0.301 180 V C -0.087 175.994 176.094 -0.021 0.000 1.034 180 V CA -1.021 61.281 62.300 0.005 0.000 0.865 180 V CB 1.747 33.572 31.823 0.005 0.000 0.995 180 V HN 0.903 nan 8.190 nan 0.000 0.424 181 A N 5.713 128.530 122.820 -0.005 0.000 2.309 181 A HA 0.832 5.150 4.320 -0.003 0.000 0.298 181 A C -0.723 176.822 177.584 -0.065 0.000 1.165 181 A CA -0.379 51.657 52.037 -0.001 0.000 0.821 181 A CB 0.756 19.786 19.000 0.051 0.000 1.102 181 A HN 0.810 nan 8.150 nan 0.000 0.500 182 L N 3.648 124.843 121.223 -0.047 0.000 2.408 182 L HA 0.868 5.206 4.340 -0.003 0.000 0.268 182 L C -1.624 175.265 176.870 0.031 0.000 0.986 182 L CA -0.624 54.148 54.840 -0.113 0.000 0.820 182 L CB 1.784 43.779 42.059 -0.107 0.000 1.303 182 L HN 0.939 nan 8.230 nan 0.000 0.411 183 F N 1.230 121.149 119.950 -0.052 0.000 2.770 183 F HA 0.716 5.241 4.527 -0.003 0.000 0.313 183 F C -1.134 174.653 175.800 -0.021 0.000 1.154 183 F CA -0.823 57.152 58.000 -0.042 0.000 0.923 183 F CB 1.142 40.096 39.000 -0.076 0.000 1.301 183 F HN 0.395 nan 8.300 nan 0.000 0.449 184 S N 0.032 115.952 115.700 0.367 0.000 2.667 184 S HA 0.909 5.378 4.470 -0.003 0.000 0.292 184 S C -1.091 173.666 174.600 0.263 0.000 1.126 184 S CA -0.518 57.834 58.200 0.255 0.000 0.881 184 S CB 1.975 65.252 63.200 0.128 0.000 1.132 184 S HN 1.215 nan 8.310 nan 0.000 0.492 185 T N -0.992 113.679 114.554 0.195 0.000 2.894 185 T HA 0.735 5.083 4.350 -0.003 0.000 0.309 185 T C -0.828 173.942 174.700 0.116 0.000 1.208 185 T CA 0.326 62.517 62.100 0.150 0.000 1.016 185 T CB 1.180 70.151 68.868 0.172 0.000 1.192 185 T HN 2.219 nan 8.240 nan 0.000 0.491 186 G N 2.984 111.846 108.800 0.102 0.000 2.693 186 G HA2 0.130 4.088 3.960 -0.003 0.000 0.290 186 G HA3 0.130 4.088 3.960 -0.003 0.000 0.290 186 G C 0.023 174.963 174.900 0.066 0.000 1.378 186 G CA -0.341 44.811 45.100 0.086 0.000 1.120 186 G HN 0.644 nan 8.290 nan 0.000 0.609 187 D N 1.194 121.632 120.400 0.065 0.000 2.228 187 D HA -0.105 4.534 4.640 -0.003 0.000 0.203 187 D C 2.168 178.482 176.300 0.024 0.000 0.988 187 D CA 1.810 55.836 54.000 0.043 0.000 0.864 187 D CB 0.253 41.077 40.800 0.040 0.000 0.928 187 D HN 0.776 nan 8.370 nan 0.000 0.469 188 E N -0.109 120.104 120.200 0.023 0.000 2.427 188 E HA 0.017 4.365 4.350 -0.003 0.000 0.196 188 E C 0.566 177.157 176.600 -0.014 0.000 1.028 188 E CA 0.151 56.552 56.400 0.000 0.000 0.864 188 E CB -0.228 29.475 29.700 0.005 0.000 0.813 188 E HN 0.263 nan 8.360 nan 0.000 0.514 189 L N 1.569 122.797 121.223 0.009 0.000 2.331 189 L HA 0.320 4.658 4.340 -0.003 0.000 0.278 189 L C 0.012 176.887 176.870 0.008 0.000 1.106 189 L CA -0.563 54.285 54.840 0.012 0.000 0.824 189 L CB 0.781 42.865 42.059 0.042 0.000 1.142 189 L HN 0.056 nan 8.230 nan 0.000 0.443 190 Q N 2.444 122.245 119.800 0.001 0.000 2.387 190 Q HA 0.564 4.902 4.340 -0.003 0.000 0.273 190 Q C -1.087 175.017 176.000 0.174 0.000 1.089 190 Q CA -0.500 55.325 55.803 0.036 0.000 0.824 190 Q CB 2.145 30.835 28.738 -0.081 0.000 1.367 190 Q HN 0.478 nan 8.270 nan 0.000 0.443 191 L N 4.298 125.619 121.223 0.164 0.000 2.418 191 L HA 0.520 4.858 4.340 -0.003 0.000 0.265 191 L C -1.873 175.107 176.870 0.184 0.000 1.143 191 L CA -2.006 52.923 54.840 0.149 0.000 0.809 191 L CB 0.974 43.077 42.059 0.074 0.000 1.124 191 L HN 0.601 nan 8.230 nan 0.000 0.456 192 P HA 0.020 nan 4.420 nan 0.000 0.269 192 P C 0.619 177.868 177.300 -0.085 0.000 1.209 192 P CA 0.673 63.665 63.100 -0.180 0.000 0.776 192 P CB 0.987 32.575 31.700 -0.187 0.000 0.876 193 G N 1.384 110.112 108.800 -0.120 0.000 2.363 193 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.238 193 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.238 193 G C 0.210 175.137 174.900 0.045 0.000 1.062 193 G CA -0.204 44.875 45.100 -0.035 0.000 0.629 193 G HN 0.624 nan 8.290 nan 0.000 0.514 194 Q N 1.928 121.794 119.800 0.110 0.000 2.354 194 Q HA 0.399 4.737 4.340 -0.003 0.000 0.244 194 Q C -2.241 173.879 176.000 0.199 0.000 0.969 194 Q CA -1.255 54.628 55.803 0.133 0.000 0.885 194 Q CB 1.271 30.084 28.738 0.124 0.000 1.241 194 Q HN 0.383 nan 8.270 nan 0.000 0.461 195 P HA 0.069 nan 4.420 nan 0.000 0.275 195 P C -0.674 176.640 177.300 0.023 0.000 1.227 195 P CA -0.476 62.678 63.100 0.089 0.000 0.781 195 P CB 0.574 32.302 31.700 0.046 0.000 0.906 196 L N 3.367 124.572 121.223 -0.030 0.000 2.418 196 L HA 0.304 4.642 4.340 -0.003 0.000 0.274 196 L C 1.348 178.160 176.870 -0.096 0.000 1.135 196 L CA 0.621 55.352 54.840 -0.181 0.000 0.870 196 L CB -0.148 41.765 42.059 -0.244 0.000 1.154 196 L HN 0.583 nan 8.230 nan 0.000 0.462 197 G N 3.183 111.925 108.800 -0.097 0.000 2.481 197 G HA2 -0.002 3.956 3.960 -0.003 0.000 0.251 197 G HA3 -0.002 3.956 3.960 -0.003 0.000 0.251 197 G C 0.426 175.296 174.900 -0.050 0.000 1.492 197 G CA 0.131 45.198 45.100 -0.055 0.000 1.060 197 G HN 0.677 nan 8.290 nan 0.000 0.553 198 D N -0.511 119.869 120.400 -0.034 0.000 2.049 198 D HA 0.036 4.674 4.640 -0.003 0.000 0.233 198 D C 2.158 178.439 176.300 -0.032 0.000 0.994 198 D CA 1.747 55.732 54.000 -0.026 0.000 0.925 198 D CB -0.538 40.253 40.800 -0.015 0.000 1.146 198 D HN 0.416 nan 8.370 nan 0.000 0.472 199 G N 0.285 109.070 108.800 -0.026 0.000 3.943 199 G HA2 0.176 4.134 3.960 -0.003 0.000 0.275 199 G HA3 0.176 4.134 3.960 -0.003 0.000 0.275 199 G C -0.283 174.594 174.900 -0.039 0.000 1.234 199 G CA -0.252 44.833 45.100 -0.025 0.000 1.522 199 G HN 0.167 nan 8.290 nan 0.000 0.636 200 Q N -0.228 119.530 119.800 -0.070 0.000 2.180 200 Q HA 0.729 5.067 4.340 -0.003 0.000 0.241 200 Q C -0.218 175.688 176.000 -0.157 0.000 0.970 200 Q CA -0.591 55.149 55.803 -0.105 0.000 0.919 200 Q CB 2.375 31.033 28.738 -0.132 0.000 1.222 200 Q HN 0.530 nan 8.270 nan 0.000 0.482 201 I N -3.148 117.314 120.570 -0.180 0.000 3.006 201 I HA 0.411 4.579 4.170 -0.003 0.000 0.306 201 I C -1.348 174.634 176.117 -0.225 0.000 1.250 201 I CA -1.326 59.852 61.300 -0.203 0.000 0.996 201 I CB 1.381 39.345 38.000 -0.060 0.000 1.261 201 I HN 0.460 nan 8.210 nan 0.000 0.442 202 Y N 1.269 121.566 120.300 -0.004 0.000 2.377 202 Y HA 0.220 4.768 4.550 -0.003 0.000 0.330 202 Y C 0.499 176.387 175.900 -0.020 0.000 1.108 202 Y CA 0.004 58.096 58.100 -0.013 0.000 1.308 202 Y CB 0.523 38.968 38.460 -0.024 0.000 1.216 202 Y HN 0.541 nan 8.280 nan 0.000 0.518 203 D N 1.669 122.158 120.400 0.148 0.000 2.450 203 D HA -0.002 4.636 4.640 -0.003 0.000 0.247 203 D C 0.732 177.053 176.300 0.035 0.000 1.162 203 D CA 0.521 54.564 54.000 0.072 0.000 0.879 203 D CB 0.942 41.781 40.800 0.064 0.000 1.163 203 D HN 0.748 nan 8.370 nan 0.000 0.472 204 T N 0.129 114.677 114.554 -0.010 0.000 2.980 204 T HA 0.044 4.392 4.350 -0.003 0.000 0.252 204 T C 1.374 176.005 174.700 -0.115 0.000 0.962 204 T CA -0.331 61.718 62.100 -0.085 0.000 0.932 204 T CB -0.103 68.678 68.868 -0.145 0.000 1.188 204 T HN 0.135 nan 8.240 nan 0.000 0.500 205 N N 1.984 120.642 118.700 -0.069 0.000 2.069 205 N HA 0.009 4.747 4.740 -0.003 0.000 0.191 205 N C 1.913 177.378 175.510 -0.074 0.000 1.031 205 N CA 1.308 54.322 53.050 -0.061 0.000 0.852 205 N CB -0.408 38.074 38.487 -0.007 0.000 1.018 205 N HN 0.408 nan 8.380 nan 0.000 0.423 206 R N 0.631 121.107 120.500 -0.041 0.000 2.103 206 R HA -0.064 4.274 4.340 -0.003 0.000 0.242 206 R C 2.182 178.465 176.300 -0.029 0.000 1.142 206 R CA 0.941 57.024 56.100 -0.028 0.000 0.960 206 R CB -0.443 29.867 30.300 0.017 0.000 0.858 206 R HN 0.234 nan 8.270 nan 0.000 0.439 207 L N 0.049 121.241 121.223 -0.053 0.000 2.046 207 L HA -0.166 4.173 4.340 -0.003 0.000 0.208 207 L C 2.307 179.122 176.870 -0.092 0.000 1.077 207 L CA 1.789 56.584 54.840 -0.077 0.000 0.747 207 L CB -0.626 41.369 42.059 -0.107 0.000 0.896 207 L HN 0.348 nan 8.230 nan 0.000 0.432 208 A N -0.504 122.238 122.820 -0.129 0.000 1.865 208 A HA -0.194 4.124 4.320 -0.003 0.000 0.217 208 A C 2.177 179.626 177.584 -0.226 0.000 1.191 208 A CA 2.097 54.041 52.037 -0.154 0.000 0.623 208 A CB -0.977 17.935 19.000 -0.147 0.000 0.826 208 A HN 0.328 nan 8.150 nan 0.000 0.444 209 V N -0.254 119.492 119.914 -0.280 0.000 2.407 209 V HA -0.252 3.866 4.120 -0.003 0.000 0.248 209 V C 2.551 178.460 176.094 -0.308 0.000 1.055 209 V CA 2.171 64.174 62.300 -0.494 0.000 1.049 209 V CB -1.038 30.532 31.823 -0.420 0.000 0.662 209 V HN 0.761 nan 8.190 nan 0.000 0.455 210 H N 0.380 119.315 119.070 -0.225 0.000 2.321 210 H HA -0.109 4.445 4.556 -0.003 0.000 0.300 210 H C 2.193 177.440 175.328 -0.134 0.000 1.087 210 H CA 2.089 58.050 56.048 -0.145 0.000 1.319 210 H CB -0.226 29.477 29.762 -0.098 0.000 1.379 210 H HN 0.343 nan 8.280 nan 0.000 0.501 211 L N -0.200 121.065 121.223 0.070 0.000 2.012 211 L HA -0.243 4.095 4.340 -0.003 0.000 0.210 211 L C 3.089 179.935 176.870 -0.040 0.000 1.073 211 L CA 1.509 56.353 54.840 0.008 0.000 0.748 211 L CB -0.476 41.548 42.059 -0.059 0.000 0.891 211 L HN 0.251 nan 8.230 nan 0.000 0.431 212 M N -0.597 118.926 119.600 -0.128 0.000 2.080 212 M HA -0.240 4.238 4.480 -0.003 0.000 0.260 212 M C 2.399 178.688 176.300 -0.017 0.000 1.068 212 M CA 1.839 57.071 55.300 -0.113 0.000 1.109 212 M CB -0.536 31.936 32.600 -0.213 0.000 1.342 212 M HN 0.239 nan 8.290 nan 0.000 0.405 213 L N -0.224 120.971 121.223 -0.047 0.000 2.012 213 L HA -0.249 4.089 4.340 -0.003 0.000 0.210 213 L C 2.418 179.291 176.870 0.004 0.000 1.073 213 L CA 1.532 56.383 54.840 0.018 0.000 0.748 213 L CB -0.648 41.375 42.059 -0.060 0.000 0.891 213 L HN 0.355 nan 8.230 nan 0.000 0.431 214 E N -0.654 119.547 120.200 0.002 0.000 2.077 214 E HA -0.243 4.105 4.350 -0.003 0.000 0.193 214 E C 2.298 178.910 176.600 0.020 0.000 0.989 214 E CA 0.986 57.400 56.400 0.024 0.000 0.800 214 E CB 0.156 29.902 29.700 0.077 0.000 0.746 214 E HN 0.337 nan 8.360 nan 0.000 0.452 215 Q N -0.102 119.704 119.800 0.011 0.000 2.224 215 Q HA -0.076 4.262 4.340 -0.003 0.000 0.203 215 Q C 2.040 178.050 176.000 0.016 0.000 0.970 215 Q CA 0.838 56.644 55.803 0.006 0.000 0.865 215 Q CB -0.024 28.703 28.738 -0.017 0.000 0.922 215 Q HN 0.393 nan 8.270 nan 0.000 0.445 216 L N -0.862 120.373 121.223 0.020 0.000 2.610 216 L HA 0.059 4.397 4.340 -0.003 0.000 0.232 216 L C 1.037 177.919 176.870 0.020 0.000 1.149 216 L CA 0.581 55.431 54.840 0.017 0.000 0.872 216 L CB -0.244 41.831 42.059 0.027 0.000 0.992 216 L HN 0.361 nan 8.230 nan 0.000 0.447 217 G N -0.896 107.920 108.800 0.026 0.000 2.141 217 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.242 217 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.242 217 G C 0.244 175.155 174.900 0.018 0.000 0.982 217 G CA -0.056 45.061 45.100 0.028 0.000 0.662 217 G HN 0.327 nan 8.290 nan 0.000 0.527 218 C N 0.107 119.414 119.300 0.012 0.000 2.443 218 C HA 0.628 5.086 4.460 -0.003 0.000 0.369 218 C C 0.889 175.874 174.990 -0.008 0.000 1.241 218 C CA -0.467 58.553 59.018 0.004 0.000 2.413 218 C CB 1.242 28.985 27.740 0.006 0.000 2.451 218 C HN 0.557 nan 8.230 nan 0.000 0.595 219 E N 0.634 120.828 120.200 -0.010 0.000 2.130 219 E HA 0.419 4.767 4.350 -0.003 0.000 0.284 219 E C -1.030 175.541 176.600 -0.048 0.000 1.018 219 E CA -0.148 56.242 56.400 -0.017 0.000 0.817 219 E CB 0.774 30.473 29.700 -0.002 0.000 1.078 219 E HN 0.470 nan 8.360 nan 0.000 0.396 220 V N 6.216 126.073 119.914 -0.096 0.000 2.509 220 V HA 0.285 4.403 4.120 -0.003 0.000 0.284 220 V C 0.205 176.224 176.094 -0.126 0.000 1.047 220 V CA -0.421 61.763 62.300 -0.192 0.000 0.952 220 V CB 1.255 32.772 31.823 -0.509 0.000 0.988 220 V HN 0.621 nan 8.190 nan 0.000 0.469 221 I N 4.191 124.704 120.570 -0.094 0.000 2.502 221 I HA 0.323 4.491 4.170 -0.003 0.000 0.276 221 I C 0.088 176.201 176.117 -0.008 0.000 1.057 221 I CA -0.147 61.138 61.300 -0.026 0.000 1.163 221 I CB 0.639 38.641 38.000 0.003 0.000 1.288 221 I HN 0.615 nan 8.210 nan 0.000 0.479 222 N N 4.885 123.594 118.700 0.015 0.000 2.402 222 N HA 0.158 4.896 4.740 -0.003 0.000 0.252 222 N C 0.584 176.148 175.510 0.089 0.000 1.118 222 N CA -0.505 52.590 53.050 0.075 0.000 0.945 222 N CB 0.809 39.409 38.487 0.188 0.000 1.147 222 N HN 0.468 nan 8.380 nan 0.000 0.495 223 L N 3.264 124.556 121.223 0.115 0.000 2.612 223 L HA 0.299 4.637 4.340 -0.003 0.000 0.230 223 L C 1.496 178.408 176.870 0.070 0.000 1.140 223 L CA 0.567 55.458 54.840 0.084 0.000 0.896 223 L CB -1.431 40.678 42.059 0.083 0.000 1.065 223 L HN 0.824 nan 8.230 nan 0.000 0.447 224 G N 0.116 108.975 108.800 0.099 0.000 2.601 224 G HA2 -0.307 3.651 3.960 -0.003 0.000 0.252 224 G HA3 -0.307 3.651 3.960 -0.003 0.000 0.252 224 G C 0.134 175.089 174.900 0.092 0.000 1.294 224 G CA -0.161 44.988 45.100 0.081 0.000 0.912 224 G HN 0.130 nan 8.290 nan 0.000 0.574 225 I N 1.392 122.000 120.570 0.064 0.000 2.352 225 I HA 0.263 4.431 4.170 -0.003 0.000 0.290 225 I C 0.392 176.526 176.117 0.027 0.000 1.036 225 I CA -0.642 60.697 61.300 0.065 0.000 1.336 225 I CB 0.862 38.897 38.000 0.058 0.000 1.407 225 I HN 0.233 nan 8.210 nan 0.000 0.497 226 I N 6.712 127.290 120.570 0.012 0.000 2.365 226 I HA 0.250 4.418 4.170 -0.003 0.000 0.291 226 I C 0.692 176.819 176.117 0.016 0.000 1.004 226 I CA -0.524 60.748 61.300 -0.047 0.000 1.311 226 I CB 0.877 38.766 38.000 -0.186 0.000 1.401 226 I HN 0.675 nan 8.210 nan 0.000 0.491 227 R N 3.544 124.053 120.500 0.015 0.000 2.734 227 R HA 0.118 4.456 4.340 -0.003 0.000 0.266 227 R C -0.548 175.799 176.300 0.078 0.000 1.044 227 R CA -0.551 55.572 56.100 0.039 0.000 1.128 227 R CB 0.494 30.806 30.300 0.021 0.000 1.010 227 R HN 0.387 nan 8.270 nan 0.000 0.461 228 D N 1.467 121.924 120.400 0.095 0.000 2.597 228 D HA 0.052 4.690 4.640 -0.003 0.000 0.228 228 D C -1.050 175.258 176.300 0.014 0.000 1.120 228 D CA 0.812 54.909 54.000 0.162 0.000 1.083 228 D CB -0.243 40.646 40.800 0.149 0.000 1.116 228 D HN 0.494 nan 8.370 nan 0.000 0.487 229 D N 0.089 120.490 120.400 0.001 0.000 2.990 229 D HA 0.243 4.881 4.640 -0.003 0.000 0.227 229 D C -2.029 174.188 176.300 -0.138 0.000 1.249 229 D CA -1.736 52.175 54.000 -0.149 0.000 0.891 229 D CB 2.004 42.785 40.800 -0.033 0.000 1.647 229 D HN -0.179 nan 8.370 nan 0.000 0.530 230 P HA -0.201 nan 4.420 nan 0.000 0.217 230 P C 0.821 177.996 177.300 -0.208 0.000 1.151 230 P CA 1.258 64.205 63.100 -0.254 0.000 0.849 230 P CB 0.081 31.513 31.700 -0.447 0.000 0.787 231 H N -1.131 117.928 119.070 -0.019 0.000 2.343 231 H HA 0.144 4.698 4.556 -0.002 0.000 0.303 231 H C 2.022 177.352 175.328 0.003 0.000 1.068 231 H CA 1.368 57.412 56.048 -0.006 0.000 1.359 231 H CB -0.871 28.877 29.762 -0.024 0.000 1.402 231 H HN 0.049 nan 8.280 nan 0.000 0.515 232 A N 1.832 124.714 122.820 0.103 0.000 1.892 232 A HA -0.153 4.166 4.320 -0.003 0.000 0.218 232 A C 2.621 180.209 177.584 0.006 0.000 1.188 232 A CA 1.273 53.333 52.037 0.038 0.000 0.631 232 A CB -1.016 17.995 19.000 0.019 0.000 0.822 232 A HN 0.316 nan 8.150 nan 0.000 0.447 233 L N -1.198 120.059 121.223 0.058 0.000 2.017 233 L HA -0.193 4.145 4.340 -0.003 0.000 0.208 233 L C 2.909 179.877 176.870 0.164 0.000 1.073 233 L CA 1.613 56.506 54.840 0.087 0.000 0.745 233 L CB -0.374 41.830 42.059 0.242 0.000 0.894 233 L HN 0.427 nan 8.230 nan 0.000 0.432 234 R N -0.683 119.898 120.500 0.136 0.000 2.081 234 R HA -0.170 4.168 4.340 -0.003 0.000 0.235 234 R C 2.286 178.658 176.300 0.120 0.000 1.131 234 R CA 1.360 57.537 56.100 0.129 0.000 0.960 234 R CB -0.378 29.959 30.300 0.063 0.000 0.856 234 R HN 0.431 nan 8.270 nan 0.000 0.436 235 A N 1.127 123.987 122.820 0.067 0.000 1.877 235 A HA -0.157 4.161 4.320 -0.003 0.000 0.216 235 A C 2.366 179.945 177.584 -0.008 0.000 1.186 235 A CA 1.786 53.841 52.037 0.031 0.000 0.620 235 A CB -0.707 18.301 19.000 0.012 0.000 0.822 235 A HN 0.420 nan 8.150 nan 0.000 0.443 236 A N -1.281 121.478 122.820 -0.102 0.000 1.908 236 A HA -0.073 4.245 4.320 -0.003 0.000 0.218 236 A C 2.032 179.516 177.584 -0.168 0.000 1.181 236 A CA 1.621 53.482 52.037 -0.294 0.000 0.627 236 A CB -0.773 17.765 19.000 -0.771 0.000 0.818 236 A HN 0.493 nan 8.150 nan 0.000 0.445 237 F N -0.219 119.701 119.950 -0.050 0.000 2.113 237 F HA -0.101 4.424 4.527 -0.004 0.000 0.297 237 F C 2.160 177.990 175.800 0.050 0.000 1.103 237 F CA 1.542 59.595 58.000 0.088 0.000 1.248 237 F CB -0.280 38.746 39.000 0.045 0.000 0.999 237 F HN 0.112 nan 8.300 nan 0.000 0.475 238 I N 0.142 120.833 120.570 0.201 0.000 2.208 238 I HA -0.318 3.850 4.170 -0.003 0.000 0.245 238 I C 2.425 178.589 176.117 0.078 0.000 1.097 238 I CA 1.943 63.309 61.300 0.109 0.000 1.363 238 I CB -0.529 37.511 38.000 0.066 0.000 1.051 238 I HN 0.198 nan 8.210 nan 0.000 0.413 239 E N 1.612 121.848 120.200 0.060 0.000 2.046 239 E HA -0.197 4.151 4.350 -0.003 0.000 0.190 239 E C 2.228 178.863 176.600 0.058 0.000 0.982 239 E CA 1.345 57.769 56.400 0.040 0.000 0.800 239 E CB -0.187 29.521 29.700 0.013 0.000 0.756 239 E HN 0.388 nan 8.360 nan 0.000 0.449 240 A N 1.156 124.027 122.820 0.085 0.000 1.865 240 A HA -0.280 4.038 4.320 -0.003 0.000 0.217 240 A C 2.086 179.730 177.584 0.100 0.000 1.191 240 A CA 2.079 54.181 52.037 0.110 0.000 0.623 240 A CB -1.162 17.943 19.000 0.175 0.000 0.826 240 A HN 0.547 nan 8.150 nan 0.000 0.444 241 D N -0.305 120.169 120.400 0.123 0.000 2.218 241 D HA -0.146 4.492 4.640 -0.003 0.000 0.204 241 D C 2.014 178.342 176.300 0.046 0.000 0.976 241 D CA 1.717 55.771 54.000 0.090 0.000 0.853 241 D CB -0.017 40.842 40.800 0.097 0.000 0.939 241 D HN 0.502 nan 8.370 nan 0.000 0.481 242 S N -0.977 114.750 115.700 0.045 0.000 2.522 242 S HA -0.115 4.353 4.470 -0.003 0.000 0.227 242 S C 1.243 175.857 174.600 0.023 0.000 0.986 242 S CA 0.361 58.577 58.200 0.026 0.000 0.929 242 S CB -0.100 63.115 63.200 0.024 0.000 0.769 242 S HN 0.525 nan 8.310 nan 0.000 0.529 243 Q N 0.003 119.821 119.800 0.030 0.000 2.038 243 Q HA 0.673 5.011 4.340 -0.003 0.000 0.240 243 Q C -0.254 175.763 176.000 0.030 0.000 0.831 243 Q CA -0.245 55.573 55.803 0.026 0.000 1.068 243 Q CB 0.596 29.348 28.738 0.023 0.000 1.241 243 Q HN 0.438 nan 8.270 nan 0.000 0.435 244 A N 0.292 123.134 122.820 0.036 0.000 2.556 244 A HA 0.513 4.831 4.320 -0.003 0.000 0.294 244 A C -0.445 177.171 177.584 0.052 0.000 1.091 244 A CA -0.516 51.547 52.037 0.043 0.000 0.704 244 A CB 1.281 20.310 19.000 0.048 0.000 1.300 244 A HN 0.110 nan 8.150 nan 0.000 0.406 245 D N -0.297 120.146 120.400 0.071 0.000 2.305 245 D HA 0.157 4.795 4.640 -0.003 0.000 0.206 245 D C 0.053 176.452 176.300 0.166 0.000 0.974 245 D CA 1.283 55.347 54.000 0.107 0.000 0.871 245 D CB 0.620 41.495 40.800 0.126 0.000 0.947 245 D HN 0.211 nan 8.370 nan 0.000 0.516 246 V N 1.188 121.186 119.914 0.139 0.000 2.841 246 V HA 0.306 4.425 4.120 -0.003 0.000 0.310 246 V C -0.362 175.787 176.094 0.092 0.000 1.090 246 V CA -0.865 61.531 62.300 0.160 0.000 0.930 246 V CB 3.066 34.982 31.823 0.155 0.000 1.014 246 V HN -0.262 nan 8.190 nan 0.000 0.425 247 V N 5.301 125.271 119.914 0.094 0.000 2.540 247 V HA 0.588 4.706 4.120 -0.003 0.000 0.302 247 V C -0.488 175.536 176.094 -0.116 0.000 1.035 247 V CA -0.379 61.944 62.300 0.039 0.000 0.873 247 V CB 1.836 33.773 31.823 0.190 0.000 0.992 247 V HN 0.687 nan 8.190 nan 0.000 0.428 248 I N 3.173 123.596 120.570 -0.245 0.000 2.465 248 I HA 0.430 4.598 4.170 -0.003 0.000 0.291 248 I C -0.049 175.769 176.117 -0.499 0.000 1.014 248 I CA -0.393 60.703 61.300 -0.340 0.000 1.093 248 I CB 2.242 40.154 38.000 -0.148 0.000 1.267 248 I HN 0.588 nan 8.210 nan 0.000 0.431 249 S N 3.186 118.626 115.700 -0.434 0.000 2.420 249 S HA 0.182 4.650 4.470 -0.003 0.000 0.313 249 S C 0.989 175.504 174.600 -0.142 0.000 1.079 249 S CA -0.548 57.452 58.200 -0.334 0.000 1.104 249 S CB 0.792 63.992 63.200 -0.000 0.000 0.969 249 S HN 0.732 nan 8.310 nan 0.000 0.471 250 S N 3.382 119.015 115.700 -0.112 0.000 2.607 250 S HA 0.442 4.910 4.470 -0.003 0.000 0.224 250 S C 0.928 175.545 174.600 0.027 0.000 0.969 250 S CA 0.095 58.275 58.200 -0.034 0.000 0.927 250 S CB -0.435 62.737 63.200 -0.046 0.000 0.772 250 S HN 1.457 nan 8.310 nan 0.000 0.533 251 G N -1.899 106.932 108.800 0.051 0.000 2.343 251 G HA2 0.522 4.480 3.960 -0.003 0.000 0.298 251 G HA3 0.522 4.480 3.960 -0.003 0.000 0.298 251 G C 0.178 175.145 174.900 0.112 0.000 1.644 251 G CA -0.191 44.961 45.100 0.086 0.000 0.958 251 G HN 1.239 nan 8.290 nan 0.000 0.702 252 G N -1.172 107.695 108.800 0.112 0.000 2.493 252 G HA2 -0.016 3.942 3.960 -0.003 0.000 0.206 252 G HA3 -0.016 3.942 3.960 -0.003 0.000 0.206 252 G C 0.627 175.589 174.900 0.102 0.000 1.109 252 G CA 0.646 45.811 45.100 0.108 0.000 0.689 252 G HN 1.856 nan 8.290 nan 0.000 0.516 253 V N 2.370 122.384 119.914 0.166 0.000 2.811 253 V HA 0.549 4.668 4.120 -0.003 0.000 0.302 253 V C 1.426 177.613 176.094 0.155 0.000 1.063 253 V CA 0.518 62.926 62.300 0.180 0.000 1.088 253 V CB 1.525 33.562 31.823 0.357 0.000 0.982 253 V HN 0.866 nan 8.190 nan 0.000 0.485 254 S N 2.747 118.505 115.700 0.097 0.000 2.558 254 S HA 0.115 4.583 4.470 -0.003 0.000 0.288 254 S C 0.501 175.263 174.600 0.269 0.000 1.318 254 S CA 0.012 58.272 58.200 0.101 0.000 1.056 254 S CB 0.799 63.983 63.200 -0.026 0.000 0.853 254 S HN 1.058 nan 8.310 nan 0.000 0.505 255 V N 1.997 122.048 119.914 0.227 0.000 3.159 255 V HA 0.703 4.821 4.120 -0.003 0.000 0.333 255 V C 1.065 177.358 176.094 0.332 0.000 1.424 255 V CA 0.313 62.825 62.300 0.353 0.000 1.125 255 V CB -0.471 31.495 31.823 0.239 0.000 1.075 255 V HN 1.116 nan 8.190 nan 0.000 0.482 256 G N 0.260 109.056 108.800 -0.006 0.000 4.332 256 G HA2 -0.099 3.859 3.960 -0.003 0.000 0.198 256 G HA3 -0.099 3.859 3.960 -0.003 0.000 0.198 256 G C 0.048 174.790 174.900 -0.264 0.000 1.460 256 G CA -0.025 44.938 45.100 -0.228 0.000 0.900 256 G HN 0.454 nan 8.290 nan 0.000 0.325 257 E N 1.385 121.517 120.200 -0.113 0.000 2.467 257 E HA 0.453 4.801 4.350 -0.003 0.000 0.264 257 E C 0.715 177.231 176.600 -0.139 0.000 1.020 257 E CA 0.519 56.864 56.400 -0.092 0.000 0.945 257 E CB 0.774 30.454 29.700 -0.032 0.000 0.942 257 E HN 0.712 nan 8.360 nan 0.000 0.449 258 A N 3.961 126.717 122.820 -0.106 0.000 2.409 258 A HA 0.443 4.762 4.320 -0.003 0.000 0.262 258 A C -0.556 176.988 177.584 -0.068 0.000 1.113 258 A CA 0.085 52.060 52.037 -0.103 0.000 0.790 258 A CB 0.227 19.183 19.000 -0.073 0.000 1.046 258 A HN 0.686 nan 8.150 nan 0.000 0.496 259 D N 0.109 120.465 120.400 -0.074 0.000 2.890 259 D HA -0.022 4.616 4.640 -0.003 0.000 0.306 259 D C 0.065 176.340 176.300 -0.041 0.000 1.280 259 D CA 0.041 54.019 54.000 -0.036 0.000 0.742 259 D CB -0.510 40.254 40.800 -0.060 0.000 1.266 259 D HN 0.522 nan 8.370 nan 0.000 0.433 260 Y N -0.721 119.561 120.300 -0.029 0.000 2.274 260 Y HA -0.058 4.490 4.550 -0.003 0.000 0.290 260 Y C 2.172 178.052 175.900 -0.034 0.000 1.145 260 Y CA 2.254 60.330 58.100 -0.039 0.000 1.203 260 Y CB -1.252 37.183 38.460 -0.041 0.000 0.984 260 Y HN 0.502 nan 8.280 nan 0.000 0.533 261 T N -1.499 112.607 114.554 -0.746 0.000 2.821 261 T HA -0.206 4.142 4.350 -0.003 0.000 0.267 261 T C 1.786 176.368 174.700 -0.198 0.000 1.046 261 T CA 1.546 63.358 62.100 -0.479 0.000 1.139 261 T CB -0.429 68.187 68.868 -0.419 0.000 0.871 261 T HN 0.468 nan 8.240 nan 0.000 0.454 262 K N 1.251 121.550 120.400 -0.167 0.000 2.057 262 K HA -0.121 4.197 4.320 -0.003 0.000 0.207 262 K C 2.607 179.154 176.600 -0.088 0.000 1.049 262 K CA 1.869 58.088 56.287 -0.114 0.000 0.931 262 K CB -0.595 31.782 32.500 -0.206 0.000 0.714 262 K HN 0.601 nan 8.250 nan 0.000 0.440 263 T N -1.067 113.438 114.554 -0.082 0.000 2.867 263 T HA -0.074 4.274 4.350 -0.003 0.000 0.268 263 T C 1.921 176.568 174.700 -0.088 0.000 1.057 263 T CA 1.164 63.227 62.100 -0.061 0.000 1.136 263 T CB -0.318 68.534 68.868 -0.027 0.000 0.874 263 T HN 0.209 nan 8.240 nan 0.000 0.466 264 I N 0.421 120.928 120.570 -0.104 0.000 2.252 264 I HA -0.031 4.137 4.170 -0.003 0.000 0.245 264 I C 2.634 178.557 176.117 -0.323 0.000 1.102 264 I CA 0.943 62.143 61.300 -0.167 0.000 1.385 264 I CB -0.292 37.636 38.000 -0.120 0.000 1.064 264 I HN 0.243 nan 8.210 nan 0.000 0.414 265 L N 0.468 121.476 121.223 -0.359 0.000 1.994 265 L HA -0.254 4.084 4.340 -0.003 0.000 0.208 265 L C 2.507 179.188 176.870 -0.316 0.000 1.071 265 L CA 1.743 56.289 54.840 -0.490 0.000 0.745 265 L CB -0.420 41.441 42.059 -0.330 0.000 0.892 265 L HN 0.265 nan 8.230 nan 0.000 0.431 266 E N -0.686 119.428 120.200 -0.143 0.000 2.204 266 E HA -0.287 4.061 4.350 -0.003 0.000 0.195 266 E C 1.920 178.450 176.600 -0.118 0.000 0.990 266 E CA 1.140 57.489 56.400 -0.084 0.000 0.821 266 E CB 0.002 29.696 29.700 -0.010 0.000 0.750 266 E HN 0.501 nan 8.360 nan 0.000 0.477 267 E N 0.809 120.924 120.200 -0.143 0.000 2.112 267 E HA -0.114 4.234 4.350 -0.003 0.000 0.190 267 E C 1.806 178.313 176.600 -0.154 0.000 0.979 267 E CA 0.474 56.799 56.400 -0.126 0.000 0.814 267 E CB 0.165 29.798 29.700 -0.112 0.000 0.762 267 E HN 0.233 nan 8.360 nan 0.000 0.460 268 L N 0.018 121.101 121.223 -0.234 0.000 2.591 268 L HA 0.301 4.639 4.340 -0.003 0.000 0.228 268 L C 0.953 177.682 176.870 -0.235 0.000 1.133 268 L CA 0.233 54.926 54.840 -0.245 0.000 0.880 268 L CB 0.638 42.483 42.059 -0.356 0.000 1.033 268 L HN 0.168 nan 8.230 nan 0.000 0.450 269 G N -1.061 107.598 108.800 -0.235 0.000 2.430 269 G HA2 0.199 4.157 3.960 -0.003 0.000 0.300 269 G HA3 0.199 4.157 3.960 -0.003 0.000 0.300 269 G C -1.463 173.323 174.900 -0.189 0.000 1.330 269 G CA -0.600 44.371 45.100 -0.214 0.000 0.813 269 G HN -0.217 nan 8.290 nan 0.000 0.487 270 E N 1.119 121.212 120.200 -0.179 0.000 1.986 270 E HA 0.322 4.670 4.350 -0.003 0.000 0.264 270 E C -0.174 176.304 176.600 -0.204 0.000 1.023 270 E CA -0.311 56.004 56.400 -0.143 0.000 0.834 270 E CB 0.798 30.441 29.700 -0.096 0.000 1.111 270 E HN 0.275 nan 8.360 nan 0.000 0.417 271 I N 1.685 122.104 120.570 -0.253 0.000 2.354 271 I HA 0.407 4.575 4.170 -0.003 0.000 0.292 271 I C 0.541 176.346 176.117 -0.520 0.000 0.989 271 I CA -1.267 59.772 61.300 -0.435 0.000 1.188 271 I CB 0.957 38.609 38.000 -0.581 0.000 1.342 271 I HN 0.161 nan 8.210 nan 0.000 0.457 272 A N 6.308 128.782 122.820 -0.577 0.000 2.303 272 A HA 0.777 5.095 4.320 -0.003 0.000 0.317 272 A C -1.032 176.062 177.584 -0.818 0.000 1.149 272 A CA -0.310 51.438 52.037 -0.481 0.000 0.822 272 A CB 0.339 19.125 19.000 -0.357 0.000 1.131 272 A HN 0.487 nan 8.150 nan 0.000 0.493 273 F N 2.311 122.182 119.950 -0.131 0.000 2.359 273 F HA 0.322 4.847 4.527 -0.004 0.000 0.370 273 F C -0.448 175.451 175.800 0.166 0.000 1.077 273 F CA -0.435 57.536 58.000 -0.048 0.000 1.136 273 F CB 0.798 39.806 39.000 0.013 0.000 1.387 273 F HN 0.534 nan 8.300 nan 0.000 0.468 274 W N 2.371 123.808 121.300 0.229 0.000 2.237 274 W HA 0.449 5.107 4.660 -0.003 0.000 0.335 274 W C 0.000 176.645 176.519 0.209 0.000 1.230 274 W CA -1.406 56.066 57.345 0.212 0.000 1.253 274 W CB 0.622 30.215 29.460 0.222 0.000 1.129 274 W HN 0.198 nan 8.180 nan 0.000 0.590 275 K N 2.846 123.489 120.400 0.405 0.000 2.579 275 K HA 0.236 4.554 4.320 -0.003 0.000 0.225 275 K C -0.727 175.988 176.600 0.191 0.000 0.992 275 K CA -0.865 55.578 56.287 0.261 0.000 1.018 275 K CB 0.845 33.461 32.500 0.192 0.000 1.249 275 K HN -0.020 nan 8.250 nan 0.000 0.489 276 L N 1.555 122.898 121.223 0.200 0.000 2.417 276 L HA 0.198 4.536 4.340 -0.003 0.000 0.268 276 L C 0.884 177.807 176.870 0.089 0.000 1.158 276 L CA 0.098 55.009 54.840 0.118 0.000 0.819 276 L CB 0.690 42.820 42.059 0.119 0.000 1.112 276 L HN 0.592 nan 8.230 nan 0.000 0.458 277 A N 5.898 128.750 122.820 0.053 0.000 3.126 277 A HA 0.504 4.822 4.320 -0.003 0.000 0.268 277 A C 0.126 177.746 177.584 0.060 0.000 1.605 277 A CA -0.263 51.803 52.037 0.048 0.000 1.305 277 A CB -1.108 17.905 19.000 0.022 0.000 1.160 277 A HN 0.622 nan 8.150 nan 0.000 0.609 278 I N -3.095 117.528 120.570 0.089 0.000 3.239 278 I HA 0.820 4.988 4.170 -0.003 0.000 0.314 278 I C -0.769 175.423 176.117 0.126 0.000 1.126 278 I CA -1.379 59.998 61.300 0.128 0.000 0.973 278 I CB 2.442 40.538 38.000 0.159 0.000 1.252 278 I HN 0.106 nan 8.210 nan 0.000 0.463 279 K N 2.955 123.453 120.400 0.162 0.000 2.571 279 K HA 0.520 4.838 4.320 -0.003 0.000 0.252 279 K C -3.018 173.685 176.600 0.171 0.000 0.956 279 K CA -1.385 54.984 56.287 0.136 0.000 0.822 279 K CB 2.647 35.205 32.500 0.096 0.000 1.286 279 K HN 0.433 nan 8.250 nan 0.000 0.439 280 P HA 0.303 nan 4.420 nan 0.000 0.274 280 P C 0.214 177.587 177.300 0.122 0.000 1.256 280 P CA 0.609 63.786 63.100 0.128 0.000 0.795 280 P CB 0.823 32.603 31.700 0.135 0.000 1.038 281 G N 0.046 108.922 108.800 0.127 0.000 2.548 281 G HA2 -0.042 3.916 3.960 -0.003 0.000 0.208 281 G HA3 -0.042 3.916 3.960 -0.003 0.000 0.208 281 G C -0.071 174.907 174.900 0.130 0.000 1.308 281 G CA 0.543 45.722 45.100 0.131 0.000 0.924 281 G HN 0.901 nan 8.290 nan 0.000 0.540 282 K N -2.367 118.122 120.400 0.149 0.000 1.984 282 K HA 0.009 4.327 4.320 -0.003 0.000 0.160 282 K C -2.607 174.125 176.600 0.219 0.000 2.589 282 K CA 0.767 57.150 56.287 0.159 0.000 1.234 282 K CB -0.626 31.957 32.500 0.138 0.000 2.858 282 K HN 0.723 nan 8.250 nan 0.000 0.360 283 P HA 0.312 nan 4.420 nan 0.000 0.284 283 P C -1.209 176.321 177.300 0.383 0.000 1.253 283 P CA 0.173 63.444 63.100 0.284 0.000 0.800 283 P CB 0.629 32.464 31.700 0.225 0.000 0.961 284 F N 1.781 121.851 119.950 0.201 0.000 2.622 284 F HA 0.579 5.104 4.527 -0.003 0.000 0.318 284 F C -1.689 174.142 175.800 0.052 0.000 1.135 284 F CA -0.828 57.257 58.000 0.141 0.000 1.015 284 F CB 1.537 40.642 39.000 0.175 0.000 1.275 284 F HN 0.449 nan 8.300 nan 0.000 0.457 285 A N 5.642 128.013 122.820 -0.748 0.000 2.304 285 A HA 0.808 5.126 4.320 -0.003 0.000 0.323 285 A C -2.030 174.931 177.584 -1.037 0.000 1.195 285 A CA -0.457 51.154 52.037 -0.711 0.000 0.826 285 A CB 0.634 19.508 19.000 -0.210 0.000 1.184 285 A HN 0.823 nan 8.150 nan 0.000 0.496 286 F N 1.716 121.047 119.950 -1.032 0.000 2.608 286 F HA 0.706 5.232 4.527 -0.003 0.000 0.309 286 F C 0.096 175.639 175.800 -0.428 0.000 1.103 286 F CA 0.603 58.150 58.000 -0.754 0.000 0.954 286 F CB 1.862 40.356 39.000 -0.842 0.000 1.267 286 F HN 1.163 nan 8.300 nan 0.000 0.444 287 G N 4.092 112.175 108.800 -1.195 0.000 2.321 287 G HA2 0.278 4.236 3.960 -0.003 0.000 0.296 287 G HA3 0.278 4.236 3.960 -0.003 0.000 0.296 287 G C -2.314 172.334 174.900 -0.421 0.000 1.287 287 G CA -1.039 43.635 45.100 -0.709 0.000 0.846 287 G HN 0.573 nan 8.290 nan 0.000 0.508 288 K N 0.501 120.720 120.400 -0.302 0.000 2.206 288 K HA 0.627 4.945 4.320 -0.003 0.000 0.264 288 K C -0.176 176.244 176.600 -0.300 0.000 0.967 288 K CA -0.469 55.570 56.287 -0.413 0.000 0.844 288 K CB 1.409 33.592 32.500 -0.528 0.000 1.099 288 K HN 0.397 nan 8.250 nan 0.000 0.441 289 L N 0.890 121.953 121.223 -0.266 0.000 2.635 289 L HA 0.234 4.572 4.340 -0.003 0.000 0.250 289 L C 1.889 178.641 176.870 -0.196 0.000 1.117 289 L CA -0.378 54.355 54.840 -0.180 0.000 0.834 289 L CB 0.895 42.918 42.059 -0.061 0.000 1.544 289 L HN 0.687 nan 8.230 nan 0.000 0.511 290 S N 0.231 115.851 115.700 -0.132 0.000 2.359 290 S HA -0.148 4.320 4.470 -0.003 0.000 0.223 290 S C 0.805 175.319 174.600 -0.143 0.000 1.039 290 S CA 1.593 59.720 58.200 -0.121 0.000 1.042 290 S CB -0.244 62.912 63.200 -0.073 0.000 0.915 290 S HN 0.645 nan 8.310 nan 0.000 0.439 291 N N 0.631 119.255 118.700 -0.128 0.000 2.377 291 N HA 0.199 4.937 4.740 -0.003 0.000 0.259 291 N C -0.758 174.660 175.510 -0.154 0.000 1.332 291 N CA 0.111 53.079 53.050 -0.136 0.000 0.877 291 N CB 1.137 39.581 38.487 -0.072 0.000 1.299 291 N HN 0.419 nan 8.380 nan 0.000 0.501 292 S N -0.876 114.691 115.700 -0.222 0.000 2.643 292 S HA 0.585 5.053 4.470 -0.003 0.000 0.270 292 S C -1.838 172.570 174.600 -0.319 0.000 1.166 292 S CA -0.884 57.205 58.200 -0.185 0.000 0.815 292 S CB 1.422 64.620 63.200 -0.002 0.000 1.139 292 S HN 0.222 nan 8.310 nan 0.000 0.472 293 W N 0.792 122.097 121.300 0.008 0.000 2.496 293 W HA 0.699 5.358 4.660 -0.003 0.000 0.327 293 W C -0.678 175.832 176.519 -0.014 0.000 1.086 293 W CA -0.613 56.700 57.345 -0.052 0.000 1.222 293 W CB 1.404 30.873 29.460 0.015 0.000 1.304 293 W HN 0.635 nan 8.180 nan 0.000 0.547 294 F N 3.420 123.362 119.950 -0.014 0.000 2.458 294 F HA 0.670 5.195 4.527 -0.003 0.000 0.336 294 F C -0.813 174.928 175.800 -0.099 0.000 1.114 294 F CA -1.162 56.807 58.000 -0.052 0.000 0.987 294 F CB 0.729 39.681 39.000 -0.080 0.000 1.130 294 F HN 0.188 nan 8.300 nan 0.000 0.458 295 C N 4.312 122.970 119.300 -1.071 0.000 2.396 295 C HA 0.793 5.251 4.460 -0.003 0.000 0.321 295 C C 0.335 174.555 174.990 -1.284 0.000 1.233 295 C CA -0.832 57.687 59.018 -0.831 0.000 1.440 295 C CB 0.616 28.284 27.740 -0.121 0.000 2.110 295 C HN 1.076 nan 8.230 nan 0.000 0.473 296 G N 3.554 111.715 108.800 -1.066 0.000 2.487 296 G HA2 0.659 4.617 3.960 -0.003 0.000 0.314 296 G HA3 0.659 4.617 3.960 -0.003 0.000 0.314 296 G C -0.918 173.914 174.900 -0.114 0.000 1.267 296 G CA -0.300 44.519 45.100 -0.469 0.000 0.937 296 G HN 0.683 nan 8.290 nan 0.000 0.481 297 L N 3.629 124.881 121.223 0.049 0.000 2.360 297 L HA 0.492 4.830 4.340 -0.003 0.000 0.271 297 L C -1.718 175.254 176.870 0.171 0.000 1.057 297 L CA -2.121 52.833 54.840 0.190 0.000 0.803 297 L CB 2.132 44.296 42.059 0.175 0.000 1.207 297 L HN 0.325 nan 8.230 nan 0.000 0.445 298 P HA 0.032 nan 4.420 nan 0.000 0.272 298 P C 0.462 177.847 177.300 0.141 0.000 1.230 298 P CA -0.251 62.950 63.100 0.169 0.000 0.788 298 P CB 0.805 32.614 31.700 0.181 0.000 0.949 299 G N 1.300 110.174 108.800 0.123 0.000 2.422 299 G HA2 -0.189 3.769 3.960 -0.003 0.000 0.218 299 G HA3 -0.189 3.769 3.960 -0.003 0.000 0.218 299 G C 0.733 175.700 174.900 0.112 0.000 1.140 299 G CA 0.210 45.374 45.100 0.107 0.000 0.775 299 G HN 0.655 nan 8.290 nan 0.000 0.545 300 N N 1.021 119.799 118.700 0.130 0.000 2.447 300 N HA 0.164 4.902 4.740 -0.003 0.000 0.263 300 N C -1.248 174.370 175.510 0.179 0.000 1.226 300 N CA -1.040 52.099 53.050 0.149 0.000 0.906 300 N CB 1.477 40.059 38.487 0.158 0.000 1.060 300 N HN -0.126 nan 8.380 nan 0.000 0.468 301 P HA -0.214 nan 4.420 nan 0.000 0.214 301 P C 1.155 178.718 177.300 0.438 0.000 1.163 301 P CA 0.945 64.197 63.100 0.253 0.000 0.889 301 P CB 0.170 31.993 31.700 0.205 0.000 0.790 302 V N -0.364 119.824 119.914 0.457 0.000 2.295 302 V HA -0.236 3.882 4.120 -0.003 0.000 0.246 302 V C 2.414 178.710 176.094 0.337 0.000 1.049 302 V CA 2.415 64.985 62.300 0.449 0.000 1.024 302 V CB -1.557 30.443 31.823 0.296 0.000 0.648 302 V HN 0.146 nan 8.190 nan 0.000 0.447 303 S N 0.310 116.160 115.700 0.251 0.000 2.359 303 S HA -0.209 4.259 4.470 -0.003 0.000 0.224 303 S C 2.229 176.945 174.600 0.193 0.000 1.035 303 S CA 1.578 59.896 58.200 0.198 0.000 1.018 303 S CB -0.569 62.736 63.200 0.175 0.000 0.876 303 S HN 0.664 nan 8.310 nan 0.000 0.448 304 A N 1.171 124.112 122.820 0.201 0.000 1.877 304 A HA -0.106 4.212 4.320 -0.003 0.000 0.216 304 A C 2.355 180.064 177.584 0.208 0.000 1.186 304 A CA 2.047 54.197 52.037 0.188 0.000 0.620 304 A CB -1.366 17.723 19.000 0.147 0.000 0.822 304 A HN 0.469 nan 8.150 nan 0.000 0.443 305 T N 0.361 115.043 114.554 0.214 0.000 2.674 305 T HA -0.125 4.223 4.350 -0.003 0.000 0.265 305 T C 1.867 176.727 174.700 0.266 0.000 1.039 305 T CA 1.328 63.546 62.100 0.196 0.000 1.150 305 T CB -0.356 68.530 68.868 0.030 0.000 0.864 305 T HN 0.314 nan 8.240 nan 0.000 0.427 306 L N 1.022 122.392 121.223 0.245 0.000 2.017 306 L HA -0.142 4.196 4.340 -0.003 0.000 0.208 306 L C 2.396 179.268 176.870 0.004 0.000 1.073 306 L CA 2.006 56.924 54.840 0.130 0.000 0.745 306 L CB -1.395 40.706 42.059 0.071 0.000 0.894 306 L HN 0.329 nan 8.230 nan 0.000 0.432 307 T N -0.009 114.562 114.554 0.029 0.000 2.708 307 T HA -0.250 4.098 4.350 -0.003 0.000 0.266 307 T C 1.601 176.244 174.700 -0.095 0.000 1.037 307 T CA 1.783 63.831 62.100 -0.088 0.000 1.146 307 T CB -0.583 68.277 68.868 -0.013 0.000 0.865 307 T HN 0.413 nan 8.240 nan 0.000 0.435 308 F N 0.763 120.688 119.950 -0.041 0.000 2.095 308 F HA -0.164 4.361 4.527 -0.003 0.000 0.298 308 F C 2.193 177.970 175.800 -0.038 0.000 1.104 308 F CA 1.143 59.125 58.000 -0.031 0.000 1.232 308 F CB -0.528 38.481 39.000 0.015 0.000 0.987 308 F HN 0.172 nan 8.300 nan 0.000 0.475 309 Y N 0.626 120.929 120.300 0.006 0.000 2.224 309 Y HA -0.230 4.318 4.550 -0.003 0.000 0.289 309 Y C 2.241 178.005 175.900 -0.226 0.000 1.146 309 Y CA 1.898 59.962 58.100 -0.059 0.000 1.182 309 Y CB -0.147 38.406 38.460 0.155 0.000 0.983 309 Y HN 0.145 nan 8.280 nan 0.000 0.524 310 Q N -0.916 118.819 119.800 -0.108 0.000 2.391 310 Q HA 0.109 4.447 4.340 -0.003 0.000 0.211 310 Q C 1.897 177.708 176.000 -0.316 0.000 0.908 310 Q CA 0.630 56.286 55.803 -0.245 0.000 0.920 310 Q CB 0.735 29.201 28.738 -0.452 0.000 1.056 310 Q HN 0.517 nan 8.270 nan 0.000 0.523 311 L N -1.094 119.890 121.223 -0.398 0.000 2.488 311 L HA 0.059 4.397 4.340 -0.003 0.000 0.186 311 L C 2.153 178.763 176.870 -0.434 0.000 1.124 311 L CA 0.277 54.842 54.840 -0.457 0.000 0.838 311 L CB -0.226 41.390 42.059 -0.739 0.000 1.107 311 L HN -0.122 nan 8.230 nan 0.000 0.494 312 V N 0.085 119.696 119.914 -0.505 0.000 2.343 312 V HA -0.307 3.811 4.120 -0.003 0.000 0.247 312 V C 2.358 178.084 176.094 -0.613 0.000 1.051 312 V CA 1.867 63.858 62.300 -0.516 0.000 1.036 312 V CB -0.588 30.855 31.823 -0.633 0.000 0.654 312 V HN 0.490 nan 8.190 nan 0.000 0.451 313 Q N 0.325 119.636 119.800 -0.815 0.000 2.014 313 Q HA -0.205 4.133 4.340 -0.003 0.000 0.207 313 Q C -0.032 175.748 176.000 -0.367 0.000 0.993 313 Q CA 2.758 58.205 55.803 -0.594 0.000 0.850 313 Q CB -1.034 27.337 28.738 -0.612 0.000 0.916 313 Q HN 0.536 nan 8.270 nan 0.000 0.417 314 P HA -0.183 nan 4.420 nan 0.000 0.218 314 P C 1.403 178.577 177.300 -0.210 0.000 1.148 314 P CA 1.077 64.035 63.100 -0.236 0.000 0.822 314 P CB -0.150 31.421 31.700 -0.215 0.000 0.784 315 L N -1.085 119.997 121.223 -0.236 0.000 2.093 315 L HA -0.074 4.264 4.340 -0.003 0.000 0.208 315 L C 2.530 179.306 176.870 -0.157 0.000 1.085 315 L CA 1.178 55.894 54.840 -0.207 0.000 0.755 315 L CB -0.626 41.308 42.059 -0.208 0.000 0.904 315 L HN -0.175 nan 8.230 nan 0.000 0.435 316 L N -0.603 120.526 121.223 -0.158 0.000 2.093 316 L HA -0.149 4.189 4.340 -0.003 0.000 0.208 316 L C 2.798 179.616 176.870 -0.088 0.000 1.085 316 L CA 0.963 55.743 54.840 -0.100 0.000 0.755 316 L CB -0.845 41.153 42.059 -0.102 0.000 0.904 316 L HN 0.338 nan 8.230 nan 0.000 0.435 317 A N 0.396 123.147 122.820 -0.115 0.000 1.877 317 A HA -0.274 4.044 4.320 -0.003 0.000 0.216 317 A C 2.375 179.914 177.584 -0.075 0.000 1.186 317 A CA 2.154 54.135 52.037 -0.093 0.000 0.620 317 A CB -0.421 18.514 19.000 -0.108 0.000 0.822 317 A HN 0.322 nan 8.150 nan 0.000 0.443 318 K N -0.491 119.857 120.400 -0.087 0.000 2.025 318 K HA 0.003 4.321 4.320 -0.003 0.000 0.207 318 K C 1.910 178.483 176.600 -0.046 0.000 1.049 318 K CA 1.254 57.498 56.287 -0.070 0.000 0.933 318 K CB -0.359 32.085 32.500 -0.092 0.000 0.714 318 K HN 0.392 nan 8.250 nan 0.000 0.438 319 L N 1.214 122.409 121.223 -0.046 0.000 2.129 319 L HA -0.221 4.117 4.340 -0.003 0.000 0.212 319 L C 2.364 179.239 176.870 0.008 0.000 1.087 319 L CA 1.730 56.568 54.840 -0.003 0.000 0.757 319 L CB -0.415 41.652 42.059 0.014 0.000 0.896 319 L HN 0.430 nan 8.230 nan 0.000 0.434 320 S N -1.159 114.535 115.700 -0.011 0.000 2.474 320 S HA -0.013 4.455 4.470 -0.003 0.000 0.235 320 S C 1.589 176.184 174.600 -0.009 0.000 0.997 320 S CA 0.813 59.008 58.200 -0.009 0.000 0.949 320 S CB 0.163 63.350 63.200 -0.021 0.000 0.766 320 S HN 0.623 nan 8.310 nan 0.000 0.517 321 G N 1.031 109.824 108.800 -0.011 0.000 2.213 321 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.226 321 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.226 321 G C -0.040 174.849 174.900 -0.019 0.000 0.992 321 G CA -0.031 45.063 45.100 -0.009 0.000 0.632 321 G HN 0.718 nan 8.290 nan 0.000 0.511 322 N N 1.535 120.218 118.700 -0.029 0.000 2.447 322 N HA 0.306 5.044 4.740 -0.003 0.000 0.263 322 N C 1.765 177.255 175.510 -0.034 0.000 1.226 322 N CA 1.179 54.207 53.050 -0.037 0.000 0.906 322 N CB 1.029 39.487 38.487 -0.047 0.000 1.060 322 N HN 0.476 nan 8.380 nan 0.000 0.468 323 T N 0.233 114.770 114.554 -0.028 0.000 3.081 323 T HA 0.290 4.638 4.350 -0.003 0.000 0.255 323 T C 0.704 175.388 174.700 -0.027 0.000 1.113 323 T CA 0.016 62.102 62.100 -0.023 0.000 1.082 323 T CB 0.017 68.877 68.868 -0.013 0.000 0.939 323 T HN 0.499 nan 8.240 nan 0.000 0.506 324 A N 2.063 124.864 122.820 -0.031 0.000 2.309 324 A HA 0.603 4.922 4.320 -0.003 0.000 0.298 324 A C 0.528 178.089 177.584 -0.039 0.000 1.165 324 A CA -0.764 51.255 52.037 -0.030 0.000 0.821 324 A CB 0.441 19.424 19.000 -0.029 0.000 1.102 324 A HN 0.455 nan 8.150 nan 0.000 0.500 325 S N 2.036 117.714 115.700 -0.037 0.000 2.465 325 S HA 0.248 4.716 4.470 -0.003 0.000 0.307 325 S C 0.976 175.545 174.600 -0.051 0.000 1.187 325 S CA 0.012 58.183 58.200 -0.048 0.000 1.141 325 S CB 0.157 63.333 63.200 -0.040 0.000 1.108 325 S HN 1.223 nan 8.310 nan 0.000 0.525 326 G N 2.780 111.537 108.800 -0.072 0.000 3.297 326 G HA2 0.262 4.220 3.960 -0.003 0.000 0.225 326 G HA3 0.262 4.220 3.960 -0.003 0.000 0.225 326 G C -0.238 174.601 174.900 -0.101 0.000 1.171 326 G CA 0.014 45.064 45.100 -0.083 0.000 1.652 326 G HN 0.563 nan 8.290 nan 0.000 0.564 327 L N -0.001 121.185 121.223 -0.062 0.000 2.401 327 L HA 0.594 4.932 4.340 -0.003 0.000 0.266 327 L C -2.227 174.669 176.870 0.043 0.000 0.991 327 L CA -2.445 52.372 54.840 -0.037 0.000 0.818 327 L CB 2.359 44.396 42.059 -0.037 0.000 1.321 327 L HN -0.097 nan 8.230 nan 0.000 0.413 328 P HA 0.428 nan 4.420 nan 0.000 0.272 328 P C -1.134 176.243 177.300 0.129 0.000 1.230 328 P CA -0.456 62.728 63.100 0.140 0.000 0.788 328 P CB 0.507 32.339 31.700 0.220 0.000 0.949 329 A N 2.174 125.053 122.820 0.099 0.000 2.304 329 A HA 0.471 4.789 4.320 -0.003 0.000 0.271 329 A C 0.345 177.984 177.584 0.092 0.000 1.091 329 A CA -0.488 51.596 52.037 0.078 0.000 0.812 329 A CB 0.367 19.397 19.000 0.050 0.000 1.056 329 A HN 0.476 nan 8.150 nan 0.000 0.489 330 R N -0.153 120.390 120.500 0.071 0.000 2.691 330 R HA 0.582 4.920 4.340 -0.003 0.000 0.259 330 R C -0.700 175.622 176.300 0.037 0.000 1.048 330 R CA -0.600 55.541 56.100 0.068 0.000 1.086 330 R CB 1.147 31.482 30.300 0.058 0.000 1.166 330 R HN 0.915 nan 8.270 nan 0.000 0.526 331 Q N 0.191 120.010 119.800 0.032 0.000 2.391 331 Q HA 0.370 4.708 4.340 -0.003 0.000 0.279 331 Q C -1.311 174.697 176.000 0.013 0.000 1.028 331 Q CA -1.070 54.740 55.803 0.011 0.000 0.836 331 Q CB 2.184 30.933 28.738 0.019 0.000 1.414 331 Q HN 0.505 nan 8.270 nan 0.000 0.397 332 R N 1.679 122.164 120.500 -0.024 0.000 2.298 332 R HA 0.589 4.927 4.340 -0.003 0.000 0.310 332 R C -1.365 175.000 176.300 0.109 0.000 1.068 332 R CA -0.133 55.959 56.100 -0.013 0.000 0.957 332 R CB 1.000 31.178 30.300 -0.204 0.000 1.003 332 R HN 0.543 nan 8.270 nan 0.000 0.454 333 V N 4.022 124.094 119.914 0.264 0.000 3.159 333 V HA 0.443 4.561 4.120 -0.003 0.000 0.308 333 V C -0.555 175.750 176.094 0.351 0.000 1.190 333 V CA -0.987 61.510 62.300 0.328 0.000 1.037 333 V CB 2.453 34.359 31.823 0.140 0.000 1.060 333 V HN 0.774 nan 8.190 nan 0.000 0.437 334 R N 0.770 121.351 120.500 0.135 0.000 2.349 334 R HA 0.545 4.883 4.340 -0.003 0.000 0.299 334 R C -0.658 175.588 176.300 -0.091 0.000 1.027 334 R CA -0.349 55.663 56.100 -0.145 0.000 0.958 334 R CB 1.548 31.618 30.300 -0.385 0.000 1.047 334 R HN 0.810 nan 8.270 nan 0.000 0.468 335 T N 1.723 116.213 114.554 -0.108 0.000 2.869 335 T HA 0.234 4.582 4.350 -0.003 0.000 0.295 335 T C 0.728 175.370 174.700 -0.096 0.000 0.987 335 T CA -0.401 61.651 62.100 -0.081 0.000 1.109 335 T CB 1.632 70.459 68.868 -0.069 0.000 0.932 335 T HN 0.687 nan 8.240 nan 0.000 0.518 336 A N 2.279 125.054 122.820 -0.076 0.000 2.470 336 A HA 0.549 4.867 4.320 -0.003 0.000 0.251 336 A C 0.804 178.350 177.584 -0.063 0.000 1.245 336 A CA -0.331 51.663 52.037 -0.072 0.000 0.932 336 A CB 0.371 19.334 19.000 -0.063 0.000 1.037 336 A HN 0.597 nan 8.150 nan 0.000 0.522 337 S N -0.391 115.272 115.700 -0.062 0.000 2.548 337 S HA 0.473 4.941 4.470 -0.003 0.000 0.286 337 S C -0.313 174.254 174.600 -0.055 0.000 1.098 337 S CA -0.680 57.487 58.200 -0.055 0.000 0.930 337 S CB 1.716 64.883 63.200 -0.054 0.000 1.070 337 S HN 0.502 nan 8.310 nan 0.000 0.480 338 R N 2.195 122.665 120.500 -0.050 0.000 2.389 338 R HA 0.382 4.720 4.340 -0.003 0.000 0.295 338 R C -1.193 175.078 176.300 -0.049 0.000 1.075 338 R CA -0.072 55.998 56.100 -0.049 0.000 1.005 338 R CB 0.132 30.406 30.300 -0.044 0.000 0.987 338 R HN 0.535 nan 8.270 nan 0.000 0.452 339 L N 4.608 125.802 121.223 -0.047 0.000 2.313 339 L HA 0.423 4.761 4.340 -0.003 0.000 0.283 339 L C -0.218 176.624 176.870 -0.046 0.000 1.013 339 L CA -0.828 53.983 54.840 -0.048 0.000 0.816 339 L CB 1.809 43.841 42.059 -0.044 0.000 1.236 339 L HN 0.409 nan 8.230 nan 0.000 0.419 340 K N 3.184 123.552 120.400 -0.053 0.000 2.285 340 K HA 0.355 4.673 4.320 -0.003 0.000 0.286 340 K C -0.548 176.028 176.600 -0.040 0.000 1.072 340 K CA -0.285 55.973 56.287 -0.049 0.000 0.913 340 K CB 0.894 33.355 32.500 -0.064 0.000 1.067 340 K HN 0.286 nan 8.250 nan 0.000 0.479 341 K N 1.304 121.685 120.400 -0.031 0.000 2.501 341 K HA 0.355 4.673 4.320 -0.003 0.000 0.252 341 K C -1.384 175.204 176.600 -0.019 0.000 0.934 341 K CA -0.427 55.845 56.287 -0.025 0.000 0.797 341 K CB 1.870 34.353 32.500 -0.029 0.000 1.270 341 K HN 0.326 nan 8.250 nan 0.000 0.431 342 T N 5.772 120.319 114.554 -0.012 0.000 2.779 342 T HA 0.470 4.818 4.350 -0.003 0.000 0.280 342 T C -2.591 172.105 174.700 -0.006 0.000 0.987 342 T CA -1.476 60.620 62.100 -0.006 0.000 0.966 342 T CB 1.471 70.340 68.868 0.002 0.000 0.933 342 T HN 0.475 nan 8.240 nan 0.000 0.442 343 P HA 0.340 nan 4.420 nan 0.000 0.270 343 P C 1.058 178.357 177.300 -0.002 0.000 1.223 343 P CA 0.581 63.677 63.100 -0.008 0.000 0.785 343 P CB 0.435 32.131 31.700 -0.007 0.000 0.923 344 G N 0.544 109.342 108.800 -0.004 0.000 2.278 344 G HA2 -0.163 3.795 3.960 -0.003 0.000 0.210 344 G HA3 -0.163 3.795 3.960 -0.003 0.000 0.210 344 G C 0.079 174.983 174.900 0.007 0.000 1.000 344 G CA -0.433 44.669 45.100 0.003 0.000 0.635 344 G HN 0.586 nan 8.290 nan 0.000 0.495 345 R N -0.510 119.992 120.500 0.004 0.000 2.673 345 R HA 0.562 4.900 4.340 -0.003 0.000 0.281 345 R C -1.187 175.107 176.300 -0.010 0.000 0.991 345 R CA -0.992 55.116 56.100 0.012 0.000 0.896 345 R CB 2.174 32.494 30.300 0.033 0.000 1.201 345 R HN 0.222 nan 8.270 nan 0.000 0.457 346 L N 2.771 123.986 121.223 -0.013 0.000 2.407 346 L HA 0.160 4.498 4.340 -0.003 0.000 0.282 346 L C -0.533 176.292 176.870 -0.076 0.000 1.110 346 L CA 0.240 55.029 54.840 -0.084 0.000 0.863 346 L CB 0.157 42.165 42.059 -0.086 0.000 1.207 346 L HN 0.399 nan 8.230 nan 0.000 0.454 347 D N 4.564 124.896 120.400 -0.113 0.000 2.347 347 D HA 0.137 4.775 4.640 -0.003 0.000 0.235 347 D C -0.746 175.487 176.300 -0.111 0.000 1.149 347 D CA 0.002 53.975 54.000 -0.044 0.000 0.850 347 D CB 0.289 41.076 40.800 -0.023 0.000 1.061 347 D HN 0.345 nan 8.370 nan 0.000 0.487 348 F N 3.448 123.378 119.950 -0.033 0.000 2.573 348 F HA 0.174 4.700 4.527 -0.003 0.000 0.349 348 F C 1.295 177.153 175.800 0.096 0.000 1.213 348 F CA -0.489 57.486 58.000 -0.042 0.000 1.300 348 F CB 0.084 38.922 39.000 -0.269 0.000 1.661 348 F HN 0.135 nan 8.300 nan 0.000 0.616 349 Q N 1.234 121.146 119.800 0.186 0.000 2.471 349 Q HA 0.372 4.710 4.340 -0.003 0.000 0.223 349 Q C -0.003 176.090 176.000 0.156 0.000 1.045 349 Q CA -0.367 55.507 55.803 0.118 0.000 0.956 349 Q CB 0.941 29.694 28.738 0.025 0.000 1.249 349 Q HN 0.429 nan 8.270 nan 0.000 0.549 350 R N -0.532 119.957 120.500 -0.018 0.000 2.514 350 R HA 0.651 4.989 4.340 -0.003 0.000 0.301 350 R C -0.278 175.916 176.300 -0.176 0.000 0.962 350 R CA -0.140 55.870 56.100 -0.150 0.000 0.882 350 R CB 1.824 31.944 30.300 -0.300 0.000 1.143 350 R HN 0.741 nan 8.270 nan 0.000 0.452 351 G N 0.134 108.782 108.800 -0.254 0.000 2.949 351 G HA2 0.561 4.519 3.960 -0.003 0.000 0.285 351 G HA3 0.561 4.519 3.960 -0.003 0.000 0.285 351 G C -1.538 173.206 174.900 -0.261 0.000 1.395 351 G CA -0.566 44.410 45.100 -0.206 0.000 0.901 351 G HN 0.331 nan 8.290 nan 0.000 0.519 352 V N 0.774 120.579 119.914 -0.182 0.000 2.380 352 V HA 0.366 4.484 4.120 -0.003 0.000 0.286 352 V C -0.719 175.299 176.094 -0.127 0.000 1.015 352 V CA -0.652 61.549 62.300 -0.165 0.000 0.834 352 V CB 1.123 32.877 31.823 -0.115 0.000 1.009 352 V HN 0.542 nan 8.190 nan 0.000 0.428 353 L N 6.038 127.180 121.223 -0.136 0.000 2.319 353 L HA 0.546 4.884 4.340 -0.003 0.000 0.280 353 L C 0.148 176.981 176.870 -0.062 0.000 1.099 353 L CA 0.707 55.494 54.840 -0.088 0.000 0.828 353 L CB 0.884 42.890 42.059 -0.088 0.000 1.150 353 L HN 0.911 nan 8.230 nan 0.000 0.442 354 Q N 4.651 124.426 119.800 -0.042 0.000 2.482 354 Q HA 0.470 4.808 4.340 -0.003 0.000 0.286 354 Q C -1.192 174.797 176.000 -0.019 0.000 1.007 354 Q CA -1.029 54.756 55.803 -0.030 0.000 0.801 354 Q CB 1.599 30.317 28.738 -0.034 0.000 1.455 354 Q HN 0.507 nan 8.270 nan 0.000 0.398 355 R N 1.701 122.193 120.500 -0.012 0.000 2.390 355 R HA 0.236 4.574 4.340 -0.003 0.000 0.291 355 R C 0.250 176.544 176.300 -0.010 0.000 1.070 355 R CA -0.146 55.950 56.100 -0.006 0.000 1.014 355 R CB 0.548 30.847 30.300 -0.002 0.000 1.007 355 R HN 0.738 nan 8.270 nan 0.000 0.466 356 N N 1.859 120.553 118.700 -0.009 0.000 2.495 356 N HA 0.140 4.878 4.740 -0.003 0.000 0.294 356 N C 0.640 176.144 175.510 -0.010 0.000 1.276 356 N CA -0.193 52.849 53.050 -0.014 0.000 0.973 356 N CB 0.069 38.544 38.487 -0.019 0.000 1.143 356 N HN 0.421 nan 8.380 nan 0.000 0.589 357 A N -0.325 122.487 122.820 -0.012 0.000 1.908 357 A HA -0.184 4.134 4.320 -0.003 0.000 0.218 357 A C 1.230 178.811 177.584 -0.005 0.000 1.181 357 A CA 1.744 53.776 52.037 -0.009 0.000 0.627 357 A CB -0.882 18.111 19.000 -0.011 0.000 0.818 357 A HN 0.772 nan 8.150 nan 0.000 0.445 358 D N -1.152 119.245 120.400 -0.005 0.000 2.363 358 D HA 0.191 4.829 4.640 -0.003 0.000 0.226 358 D C 1.310 177.613 176.300 0.004 0.000 1.020 358 D CA 0.981 54.981 54.000 -0.001 0.000 0.892 358 D CB -0.092 40.708 40.800 -0.001 0.000 0.900 358 D HN 0.679 nan 8.370 nan 0.000 0.531 359 G N 1.785 110.587 108.800 0.003 0.000 2.179 359 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.260 359 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.260 359 G C 0.122 175.029 174.900 0.012 0.000 0.977 359 G CA 0.175 45.279 45.100 0.007 0.000 0.641 359 G HN 0.477 nan 8.290 nan 0.000 0.533 360 E N -0.207 120.002 120.200 0.014 0.000 2.314 360 E HA 0.676 5.024 4.350 -0.003 0.000 0.262 360 E C -0.355 176.258 176.600 0.021 0.000 1.093 360 E CA -1.064 55.352 56.400 0.026 0.000 0.908 360 E CB 1.563 31.283 29.700 0.033 0.000 1.091 360 E HN 0.085 nan 8.360 nan 0.000 0.425 361 L N 1.916 123.160 121.223 0.035 0.000 2.312 361 L HA 0.209 4.547 4.340 -0.003 0.000 0.281 361 L C -0.151 176.735 176.870 0.026 0.000 1.070 361 L CA 0.373 55.229 54.840 0.028 0.000 0.805 361 L CB 0.614 42.695 42.059 0.037 0.000 1.174 361 L HN 0.714 nan 8.230 nan 0.000 0.434 362 E N 3.230 123.430 120.200 -0.000 0.000 2.408 362 E HA 0.715 5.063 4.350 -0.003 0.000 0.275 362 E C -1.667 174.915 176.600 -0.029 0.000 0.935 362 E CA -1.035 55.354 56.400 -0.017 0.000 0.775 362 E CB 1.913 31.590 29.700 -0.039 0.000 1.277 362 E HN 0.225 nan 8.360 nan 0.000 0.455 363 V N -0.607 119.284 119.914 -0.037 0.000 2.628 363 V HA 0.690 4.809 4.120 -0.003 0.000 0.306 363 V C -0.356 175.702 176.094 -0.060 0.000 1.045 363 V CA -0.603 61.665 62.300 -0.053 0.000 0.905 363 V CB 1.398 33.191 31.823 -0.049 0.000 0.997 363 V HN 0.782 nan 8.190 nan 0.000 0.436 364 T N 1.889 116.401 114.554 -0.070 0.000 2.887 364 T HA 0.478 4.826 4.350 -0.003 0.000 0.288 364 T C 0.068 174.722 174.700 -0.077 0.000 1.021 364 T CA -0.278 61.782 62.100 -0.067 0.000 1.000 364 T CB 1.702 70.533 68.868 -0.061 0.000 1.034 364 T HN 1.042 nan 8.240 nan 0.000 0.467 365 T N 0.733 115.245 114.554 -0.069 0.000 2.860 365 T HA 0.180 4.528 4.350 -0.003 0.000 0.299 365 T C 1.658 176.311 174.700 -0.078 0.000 1.045 365 T CA 0.234 62.289 62.100 -0.074 0.000 1.071 365 T CB 0.399 69.229 68.868 -0.063 0.000 0.985 365 T HN 0.781 nan 8.240 nan 0.000 0.537 366 T N 0.610 115.110 114.554 -0.091 0.000 3.067 366 T HA 0.491 4.839 4.350 -0.003 0.000 0.257 366 T C 1.251 175.917 174.700 -0.055 0.000 1.105 366 T CA 0.562 62.609 62.100 -0.089 0.000 1.104 366 T CB -0.254 68.538 68.868 -0.126 0.000 0.925 366 T HN 1.234 nan 8.240 nan 0.000 0.498 367 G N 0.500 109.274 108.800 -0.043 0.000 2.233 367 G HA2 0.030 3.988 3.960 -0.003 0.000 0.162 367 G HA3 0.030 3.988 3.960 -0.003 0.000 0.162 367 G C -1.010 173.900 174.900 0.016 0.000 1.327 367 G CA -0.619 44.478 45.100 -0.005 0.000 1.187 367 G HN 0.635 nan 8.290 nan 0.000 0.479 368 H N 1.488 120.547 119.070 -0.017 0.000 2.964 368 H HA 0.420 4.974 4.556 -0.003 0.000 0.328 368 H C 1.146 176.464 175.328 -0.016 0.000 1.030 368 H CA 0.465 56.522 56.048 0.014 0.000 1.445 368 H CB 0.925 30.730 29.762 0.073 0.000 1.449 368 H HN 0.302 nan 8.280 nan 0.000 0.581 369 Q N 3.637 123.455 119.800 0.030 0.000 2.280 369 Q HA 0.155 4.493 4.340 -0.003 0.000 0.201 369 Q C 0.708 176.810 176.000 0.170 0.000 0.890 369 Q CA 0.231 56.063 55.803 0.049 0.000 0.947 369 Q CB 0.639 29.363 28.738 -0.022 0.000 1.081 369 Q HN 0.795 nan 8.270 nan 0.000 0.502 370 G N 1.075 110.183 108.800 0.513 0.000 2.491 370 G HA2 0.136 4.094 3.960 -0.003 0.000 0.242 370 G HA3 0.136 4.094 3.960 -0.003 0.000 0.242 370 G C 0.730 175.784 174.900 0.256 0.000 1.266 370 G CA 0.015 45.408 45.100 0.487 0.000 0.844 370 G HN 0.259 nan 8.290 nan 0.000 0.571 371 S N 0.218 116.064 115.700 0.244 0.000 2.701 371 S HA -0.049 4.419 4.470 -0.003 0.000 0.220 371 S C 1.498 176.204 174.600 0.177 0.000 0.954 371 S CA 0.548 58.850 58.200 0.169 0.000 0.936 371 S CB -0.371 62.933 63.200 0.173 0.000 0.777 371 S HN 0.842 nan 8.310 nan 0.000 0.518 372 H N 1.521 120.637 119.070 0.078 0.000 2.548 372 H HA 0.345 4.899 4.556 -0.003 0.000 0.268 372 H C 0.680 176.055 175.328 0.077 0.000 0.975 372 H CA 0.033 56.117 56.048 0.061 0.000 1.195 372 H CB -0.546 29.221 29.762 0.007 0.000 1.397 372 H HN 0.675 nan 8.280 nan 0.000 0.572 373 I N -4.685 115.689 120.570 -0.328 0.000 3.108 373 I HA 0.340 4.508 4.170 -0.003 0.000 0.312 373 I C -0.074 176.083 176.117 0.067 0.000 1.095 373 I CA -1.279 59.922 61.300 -0.165 0.000 1.000 373 I CB 1.589 39.391 38.000 -0.329 0.000 1.229 373 I HN -0.175 nan 8.210 nan 0.000 0.454 374 F N 0.919 120.866 119.950 -0.004 0.000 2.746 374 F HA 0.067 4.592 4.527 -0.003 0.000 0.313 374 F C 2.400 178.265 175.800 0.108 0.000 1.095 374 F CA 0.771 58.842 58.000 0.118 0.000 1.224 374 F CB 0.466 39.541 39.000 0.124 0.000 1.060 374 F HN 0.642 nan 8.300 nan 0.000 0.584 375 S N -0.297 115.468 115.700 0.108 0.000 2.420 375 S HA -0.264 4.204 4.470 -0.003 0.000 0.237 375 S C 2.228 176.784 174.600 -0.073 0.000 1.023 375 S CA 1.473 59.697 58.200 0.040 0.000 0.991 375 S CB -1.266 61.945 63.200 0.018 0.000 0.792 375 S HN 0.481 nan 8.310 nan 0.000 0.488 376 S N 1.530 117.106 115.700 -0.206 0.000 2.383 376 S HA -0.096 4.372 4.470 -0.003 0.000 0.229 376 S C 1.523 175.905 174.600 -0.364 0.000 1.030 376 S CA 1.067 59.084 58.200 -0.306 0.000 1.002 376 S CB -1.245 61.706 63.200 -0.415 0.000 0.829 376 S HN 0.561 nan 8.310 nan 0.000 0.467 377 F N 1.760 121.469 119.950 -0.401 0.000 2.216 377 F HA -0.025 4.500 4.527 -0.003 0.000 0.300 377 F C 3.120 178.775 175.800 -0.242 0.000 1.085 377 F CA 1.166 58.827 58.000 -0.566 0.000 1.326 377 F CB -0.412 37.982 39.000 -1.010 0.000 1.027 377 F HN 0.342 nan 8.300 nan 0.000 0.497 378 S N -0.042 115.687 115.700 0.049 0.000 2.388 378 S HA -0.004 4.464 4.470 -0.003 0.000 0.223 378 S C 1.975 176.606 174.600 0.051 0.000 1.034 378 S CA 0.538 58.791 58.200 0.089 0.000 0.963 378 S CB -0.269 62.992 63.200 0.102 0.000 0.827 378 S HN 0.272 nan 8.310 nan 0.000 0.481 379 L N 1.072 122.294 121.223 -0.001 0.000 2.156 379 L HA 0.171 4.509 4.340 -0.003 0.000 0.208 379 L C 1.692 178.524 176.870 -0.063 0.000 1.095 379 L CA 0.542 55.364 54.840 -0.029 0.000 0.770 379 L CB -0.773 41.256 42.059 -0.049 0.000 0.914 379 L HN 0.334 nan 8.230 nan 0.000 0.439 380 G N -0.157 108.588 108.800 -0.091 0.000 2.543 380 G HA2 0.214 4.172 3.960 -0.003 0.000 0.290 380 G HA3 0.214 4.172 3.960 -0.003 0.000 0.290 380 G C 0.218 174.949 174.900 -0.281 0.000 1.310 380 G CA 0.070 45.037 45.100 -0.221 0.000 1.025 380 G HN 0.379 nan 8.290 nan 0.000 0.502 381 N N -2.746 115.537 118.700 -0.696 0.000 1.997 381 N HA 0.101 4.839 4.740 -0.003 0.000 0.225 381 N C -0.045 174.672 175.510 -1.321 0.000 1.383 381 N CA 0.307 52.928 53.050 -0.717 0.000 0.770 381 N CB -0.476 37.854 38.487 -0.262 0.000 1.178 381 N HN 0.896 nan 8.380 nan 0.000 0.515 382 C N -2.359 115.849 119.300 -1.820 0.000 3.295 382 C HA 0.772 5.230 4.460 -0.003 0.000 0.341 382 C C -1.560 172.875 174.990 -0.924 0.000 1.418 382 C CA -1.558 56.714 59.018 -1.242 0.000 1.240 382 C CB 0.170 27.637 27.740 -0.454 0.000 1.562 382 C HN 0.040 nan 8.230 nan 0.000 0.457 383 F N 1.055 120.930 119.950 -0.125 0.000 2.469 383 F HA 0.692 5.218 4.527 -0.003 0.000 0.332 383 F C 0.396 176.196 175.800 0.000 0.000 1.103 383 F CA -0.774 57.268 58.000 0.069 0.000 0.979 383 F CB 1.539 40.729 39.000 0.317 0.000 1.137 383 F HN 0.420 nan 8.300 nan 0.000 0.463 384 I N 4.685 125.358 120.570 0.172 0.000 2.310 384 I HA 0.174 4.342 4.170 -0.003 0.000 0.287 384 I C -0.690 175.432 176.117 0.008 0.000 1.073 384 I CA -0.641 60.691 61.300 0.053 0.000 1.216 384 I CB 0.723 38.724 38.000 0.002 0.000 1.415 384 I HN 0.218 nan 8.210 nan 0.000 0.480 385 V N 7.639 127.519 119.914 -0.057 0.000 2.364 385 V HA 0.121 4.239 4.120 -0.003 0.000 0.252 385 V C 0.501 176.456 176.094 -0.233 0.000 1.075 385 V CA -0.126 61.995 62.300 -0.298 0.000 1.033 385 V CB -0.336 31.270 31.823 -0.362 0.000 1.116 385 V HN 0.491 nan 8.190 nan 0.000 0.488 386 L N 4.210 125.306 121.223 -0.211 0.000 2.319 386 L HA 0.353 4.691 4.340 -0.003 0.000 0.280 386 L C 0.627 177.406 176.870 -0.152 0.000 1.099 386 L CA -0.587 54.172 54.840 -0.135 0.000 0.828 386 L CB 0.626 42.633 42.059 -0.088 0.000 1.150 386 L HN 0.536 nan 8.230 nan 0.000 0.442 387 E N 2.089 122.223 120.200 -0.109 0.000 2.502 387 E HA -0.089 4.259 4.350 -0.003 0.000 0.261 387 E C 0.999 177.552 176.600 -0.077 0.000 0.974 387 E CA 0.152 56.495 56.400 -0.095 0.000 0.936 387 E CB 0.433 30.096 29.700 -0.061 0.000 0.926 387 E HN 0.368 nan 8.360 nan 0.000 0.459 388 R N 2.588 123.045 120.500 -0.073 0.000 2.119 388 R HA -0.264 4.074 4.340 -0.003 0.000 0.246 388 R C 0.577 176.857 176.300 -0.033 0.000 1.146 388 R CA 1.996 58.066 56.100 -0.049 0.000 0.962 388 R CB 0.069 30.345 30.300 -0.040 0.000 0.863 388 R HN 0.560 nan 8.270 nan 0.000 0.442 389 D N -0.180 120.201 120.400 -0.031 0.000 2.289 389 D HA -0.052 4.586 4.640 -0.003 0.000 0.207 389 D C 0.583 176.871 176.300 -0.020 0.000 0.966 389 D CA 0.320 54.306 54.000 -0.022 0.000 0.868 389 D CB -0.101 40.687 40.800 -0.020 0.000 0.943 389 D HN 0.157 nan 8.370 nan 0.000 0.514 390 R N 0.262 120.747 120.500 -0.025 0.000 2.679 390 R HA 0.291 4.629 4.340 -0.003 0.000 0.268 390 R C 0.727 177.015 176.300 -0.021 0.000 1.044 390 R CA 0.204 56.290 56.100 -0.022 0.000 1.105 390 R CB 0.557 30.841 30.300 -0.026 0.000 0.989 390 R HN 0.030 nan 8.270 nan 0.000 0.447 391 G N 1.630 110.420 108.800 -0.017 0.000 3.008 391 G HA2 0.131 4.089 3.960 -0.003 0.000 0.181 391 G HA3 0.131 4.089 3.960 -0.003 0.000 0.181 391 G C -0.757 174.131 174.900 -0.020 0.000 1.309 391 G CA -0.742 44.347 45.100 -0.017 0.000 1.009 391 G HN 0.630 nan 8.290 nan 0.000 0.584 392 N N -0.741 117.947 118.700 -0.021 0.000 2.283 392 N HA 0.143 4.881 4.740 -0.003 0.000 0.236 392 N C -0.289 175.206 175.510 -0.026 0.000 1.252 392 N CA 0.224 53.259 53.050 -0.025 0.000 0.856 392 N CB 1.023 39.495 38.487 -0.025 0.000 1.099 392 N HN 0.147 nan 8.380 nan 0.000 0.444 393 V N 1.390 121.286 119.914 -0.031 0.000 2.540 393 V HA 0.274 4.392 4.120 -0.003 0.000 0.302 393 V C 0.013 176.083 176.094 -0.041 0.000 1.035 393 V CA -0.849 61.431 62.300 -0.033 0.000 0.873 393 V CB 1.962 33.766 31.823 -0.032 0.000 0.992 393 V HN 0.481 nan 8.190 nan 0.000 0.428 394 E N 2.260 122.432 120.200 -0.047 0.000 2.214 394 E HA 0.434 4.782 4.350 -0.003 0.000 0.274 394 E C -0.430 176.127 176.600 -0.072 0.000 0.977 394 E CA -0.825 55.543 56.400 -0.054 0.000 0.827 394 E CB 2.325 31.995 29.700 -0.050 0.000 1.130 394 E HN 0.384 nan 8.360 nan 0.000 0.394 395 V N 1.854 121.725 119.914 -0.072 0.000 2.726 395 V HA 0.062 4.180 4.120 -0.003 0.000 0.304 395 V C 1.531 177.555 176.094 -0.117 0.000 1.115 395 V CA 2.157 64.405 62.300 -0.087 0.000 1.264 395 V CB -0.124 31.654 31.823 -0.075 0.000 0.867 395 V HN 1.065 nan 8.190 nan 0.000 0.498 396 G N 3.250 111.955 108.800 -0.158 0.000 2.213 396 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.226 396 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.226 396 G C 0.081 174.787 174.900 -0.323 0.000 0.992 396 G CA 0.118 45.079 45.100 -0.232 0.000 0.632 396 G HN 0.659 nan 8.290 nan 0.000 0.511 397 E N -0.721 119.342 120.200 -0.228 0.000 2.371 397 E HA 0.375 4.723 4.350 -0.003 0.000 0.257 397 E C -0.223 176.245 176.600 -0.220 0.000 1.134 397 E CA -0.665 55.611 56.400 -0.207 0.000 0.919 397 E CB 0.646 30.299 29.700 -0.078 0.000 1.025 397 E HN 0.378 nan 8.360 nan 0.000 0.438 398 W N 1.003 122.288 121.300 -0.026 0.000 2.261 398 W HA 0.371 5.029 4.660 -0.003 0.000 0.323 398 W C -0.251 176.249 176.519 -0.031 0.000 1.243 398 W CA -0.313 57.016 57.345 -0.026 0.000 1.210 398 W CB 0.937 30.383 29.460 -0.023 0.000 1.149 398 W HN 0.119 nan 8.180 nan 0.000 0.562 399 V N 3.139 123.225 119.914 0.286 0.000 3.087 399 V HA 0.239 4.357 4.120 -0.003 0.000 0.306 399 V C -0.676 175.481 176.094 0.104 0.000 1.187 399 V CA -1.057 61.321 62.300 0.131 0.000 0.999 399 V CB 2.296 34.156 31.823 0.062 0.000 1.049 399 V HN 0.337 nan 8.190 nan 0.000 0.431 400 E N 2.294 122.520 120.200 0.042 0.000 2.259 400 E HA 0.493 4.841 4.350 -0.003 0.000 0.281 400 E C -1.113 175.505 176.600 0.030 0.000 1.027 400 E CA -0.108 56.306 56.400 0.023 0.000 0.838 400 E CB 1.986 31.678 29.700 -0.014 0.000 1.066 400 E HN 0.351 nan 8.360 nan 0.000 0.401 401 V N 2.795 122.737 119.914 0.047 0.000 2.604 401 V HA 0.214 4.332 4.120 -0.003 0.000 0.305 401 V C -0.208 175.944 176.094 0.098 0.000 1.043 401 V CA -0.635 61.701 62.300 0.059 0.000 0.888 401 V CB 2.055 33.897 31.823 0.031 0.000 0.995 401 V HN 0.594 nan 8.190 nan 0.000 0.429 402 E N 6.078 126.381 120.200 0.171 0.000 2.186 402 E HA 0.428 4.776 4.350 -0.003 0.000 0.255 402 E C -2.712 174.032 176.600 0.240 0.000 0.881 402 E CA -2.091 54.464 56.400 0.258 0.000 0.752 402 E CB 2.099 32.051 29.700 0.420 0.000 1.176 402 E HN 0.409 nan 8.360 nan 0.000 0.421 403 P HA 0.027 nan 4.420 nan 0.000 0.268 403 P C -0.579 176.890 177.300 0.281 0.000 1.204 403 P CA -0.108 63.040 63.100 0.080 0.000 0.768 403 P CB 0.217 31.962 31.700 0.075 0.000 0.842 404 F N 2.385 122.393 119.950 0.096 0.000 2.545 404 F HA 0.053 4.578 4.527 -0.003 0.000 0.348 404 F C 1.563 177.518 175.800 0.257 0.000 1.163 404 F CA -0.105 58.013 58.000 0.197 0.000 1.331 404 F CB -0.455 38.640 39.000 0.158 0.000 1.138 404 F HN 0.382 nan 8.300 nan 0.000 0.602 405 N N 0.908 119.928 118.700 0.533 0.000 2.566 405 N HA 0.447 5.185 4.740 -0.003 0.000 0.299 405 N C 0.643 176.289 175.510 0.226 0.000 1.277 405 N CA -0.101 53.137 53.050 0.314 0.000 0.965 405 N CB -0.308 38.321 38.487 0.238 0.000 1.142 405 N HN 0.437 nan 8.380 nan 0.000 0.596 406 A N -0.515 122.384 122.820 0.132 0.000 2.084 406 A HA -0.083 4.235 4.320 -0.003 0.000 0.221 406 A C 2.039 179.635 177.584 0.019 0.000 1.161 406 A CA 1.053 53.138 52.037 0.081 0.000 0.653 406 A CB -1.179 17.853 19.000 0.055 0.000 0.802 406 A HN 0.614 nan 8.150 nan 0.000 0.457 407 L N -2.547 118.640 121.223 -0.059 0.000 2.265 407 L HA -0.120 4.218 4.340 -0.003 0.000 0.215 407 L C 1.542 178.163 176.870 -0.415 0.000 1.117 407 L CA 1.191 55.864 54.840 -0.277 0.000 0.782 407 L CB -0.403 41.398 42.059 -0.429 0.000 0.914 407 L HN 0.504 nan 8.230 nan 0.000 0.441 408 F N -0.864 119.107 119.950 0.037 0.000 2.688 408 F HA 0.422 4.947 4.527 -0.003 0.000 0.310 408 F C 1.130 176.987 175.800 0.094 0.000 1.098 408 F CA 0.028 58.020 58.000 -0.014 0.000 1.228 408 F CB 1.006 39.850 39.000 -0.260 0.000 1.042 408 F HN 0.083 nan 8.300 nan 0.000 0.557 409 G N 0.000 108.938 108.800 0.231 0.000 5.446 409 G HA2 0.000 3.958 3.960 -0.003 0.000 0.244 409 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 409 G CA 0.000 45.209 45.100 0.182 0.000 0.502 409 G HN 0.000 nan 8.290 nan 0.000 0.925