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 2nqm_1_B DATA FIRST_RESID 7 DATA SEQUENCE LMSLDTALNE MLSRVTPLTA QETLPLVQCF GRILASDVVS PLDVPGFDNS DATA SEQUENCE AMDGYAVRLA DIASGQPLPV AGKSFAGQPY HGEWPAGTCI RIMAGAPVPE 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 0.000 176.864 176.870 -0.010 0.000 1.165 7 L CA 0.000 54.852 54.840 0.021 0.000 0.813 7 L CB 0.000 42.081 42.059 0.036 0.000 0.961 8 M N 2.158 121.742 119.600 -0.027 0.000 2.249 8 M HA 0.120 4.599 4.480 -0.002 0.000 0.340 8 M C 0.499 176.736 176.300 -0.105 0.000 1.166 8 M CA 0.536 55.770 55.300 -0.110 0.000 1.115 8 M CB 1.072 33.538 32.600 -0.223 0.000 1.606 8 M HN 0.315 nan 8.290 nan 0.000 0.448 9 S N 4.768 120.388 115.700 -0.132 0.000 2.586 9 S HA 0.181 4.650 4.470 -0.002 0.000 0.274 9 S C 0.870 175.397 174.600 -0.121 0.000 1.281 9 S CA -1.005 57.135 58.200 -0.101 0.000 1.035 9 S CB 0.984 64.128 63.200 -0.093 0.000 0.962 9 S HN 0.917 nan 8.310 nan 0.000 0.512 10 L N 2.173 123.354 121.223 -0.070 0.000 1.961 10 L HA -0.066 4.273 4.340 -0.002 0.000 0.210 10 L C 2.148 178.960 176.870 -0.096 0.000 1.072 10 L CA 2.330 57.132 54.840 -0.064 0.000 0.749 10 L CB -1.242 40.831 42.059 0.023 0.000 0.889 10 L HN 0.906 nan 8.230 nan 0.000 0.432 11 D N -0.497 119.862 120.400 -0.069 0.000 2.200 11 D HA -0.227 4.412 4.640 -0.002 0.000 0.192 11 D C 1.925 178.158 176.300 -0.111 0.000 1.008 11 D CA 2.123 56.078 54.000 -0.075 0.000 0.872 11 D CB 0.110 40.875 40.800 -0.059 0.000 0.923 11 D HN 0.361 nan 8.370 nan 0.000 0.447 12 T N -0.116 114.355 114.554 -0.138 0.000 2.737 12 T HA -0.062 4.287 4.350 -0.002 0.000 0.265 12 T C 1.924 176.464 174.700 -0.267 0.000 1.038 12 T CA 1.826 63.817 62.100 -0.181 0.000 1.144 12 T CB -0.436 68.317 68.868 -0.190 0.000 0.866 12 T HN 0.277 nan 8.240 nan 0.000 0.434 13 A N 1.094 123.706 122.820 -0.346 0.000 1.877 13 A HA 0.026 4.345 4.320 -0.002 0.000 0.216 13 A C 2.329 179.762 177.584 -0.251 0.000 1.186 13 A CA 1.126 52.850 52.037 -0.523 0.000 0.620 13 A CB -0.962 17.764 19.000 -0.457 0.000 0.822 13 A HN 0.444 nan 8.150 nan 0.000 0.443 14 L N -0.283 120.832 121.223 -0.180 0.000 1.971 14 L HA -0.293 4.046 4.340 -0.002 0.000 0.215 14 L C 2.337 179.123 176.870 -0.140 0.000 1.072 14 L CA 2.237 56.985 54.840 -0.154 0.000 0.758 14 L CB -0.608 41.370 42.059 -0.134 0.000 0.889 14 L HN 0.551 nan 8.230 nan 0.000 0.433 15 N N -1.142 117.484 118.700 -0.124 0.000 2.289 15 N HA -0.216 4.523 4.740 -0.002 0.000 0.184 15 N C 1.673 177.133 175.510 -0.083 0.000 1.016 15 N CA 0.667 53.660 53.050 -0.096 0.000 0.872 15 N CB 0.038 38.477 38.487 -0.081 0.000 0.973 15 N HN 0.364 nan 8.380 nan 0.000 0.433 16 E N 0.658 120.801 120.200 -0.095 0.000 2.158 16 E HA -0.038 4.311 4.350 -0.002 0.000 0.191 16 E C 1.799 178.398 176.600 -0.001 0.000 0.982 16 E CA 0.485 56.867 56.400 -0.031 0.000 0.823 16 E CB 0.179 29.858 29.700 -0.034 0.000 0.766 16 E HN 0.398 nan 8.360 nan 0.000 0.468 17 M N 0.051 119.600 119.600 -0.085 0.000 2.077 17 M HA -0.159 4.320 4.480 -0.002 0.000 0.261 17 M C 2.137 178.279 176.300 -0.262 0.000 1.070 17 M CA 1.299 56.418 55.300 -0.301 0.000 1.125 17 M CB -0.115 32.177 32.600 -0.513 0.000 1.339 17 M HN 0.071 nan 8.290 nan 0.000 0.409 18 L N -0.413 120.696 121.223 -0.190 0.000 2.376 18 L HA -0.071 4.268 4.340 -0.002 0.000 0.219 18 L C 2.586 179.405 176.870 -0.084 0.000 1.133 18 L CA 0.940 55.690 54.840 -0.150 0.000 0.816 18 L CB -0.810 41.178 42.059 -0.118 0.000 0.933 18 L HN 0.336 nan 8.230 nan 0.000 0.449 19 S N 0.183 115.849 115.700 -0.056 0.000 2.406 19 S HA -0.104 4.365 4.470 -0.002 0.000 0.228 19 S C 1.965 176.582 174.600 0.029 0.000 1.020 19 S CA 0.413 58.608 58.200 -0.008 0.000 0.965 19 S CB -0.278 62.924 63.200 0.004 0.000 0.798 19 S HN 0.477 nan 8.310 nan 0.000 0.488 20 R N 0.830 121.347 120.500 0.029 0.000 2.297 20 R HA 0.301 4.640 4.340 -0.002 0.000 0.197 20 R C -0.101 176.322 176.300 0.205 0.000 0.943 20 R CA 0.080 56.258 56.100 0.129 0.000 1.038 20 R CB -0.347 30.065 30.300 0.186 0.000 0.957 20 R HN 0.310 nan 8.270 nan 0.000 0.484 21 V N 1.733 121.687 119.914 0.067 0.000 2.567 21 V HA 0.182 4.301 4.120 -0.002 0.000 0.289 21 V C 0.258 176.452 176.094 0.167 0.000 1.049 21 V CA -0.074 62.312 62.300 0.143 0.000 0.969 21 V CB 1.827 33.609 31.823 -0.068 0.000 0.995 21 V HN 0.035 nan 8.190 nan 0.000 0.471 22 T N 6.085 120.781 114.554 0.236 0.000 2.815 22 T HA 0.415 4.764 4.350 -0.002 0.000 0.289 22 T C -2.583 172.199 174.700 0.136 0.000 1.000 22 T CA -1.005 61.189 62.100 0.155 0.000 0.958 22 T CB 1.598 70.558 68.868 0.155 0.000 0.944 22 T HN 0.457 nan 8.240 nan 0.000 0.442 23 P HA 0.105 nan 4.420 nan 0.000 0.264 23 P C -0.215 177.124 177.300 0.065 0.000 1.183 23 P CA -0.654 62.487 63.100 0.068 0.000 0.763 23 P CB 0.347 32.072 31.700 0.041 0.000 0.807 24 L N 2.742 124.003 121.223 0.062 0.000 2.529 24 L HA 0.026 4.365 4.340 -0.002 0.000 0.287 24 L C 1.683 178.573 176.870 0.034 0.000 1.241 24 L CA 1.483 56.351 54.840 0.047 0.000 0.857 24 L CB -0.623 41.461 42.059 0.042 0.000 1.113 24 L HN 0.616 nan 8.230 nan 0.000 0.504 25 T N -1.646 112.924 114.554 0.028 0.000 3.041 25 T HA 0.412 4.761 4.350 -0.002 0.000 0.276 25 T C 0.491 175.201 174.700 0.017 0.000 0.948 25 T CA 0.227 62.339 62.100 0.021 0.000 0.885 25 T CB 0.049 68.930 68.868 0.021 0.000 1.175 25 T HN 0.606 nan 8.240 nan 0.000 0.529 26 A N 2.199 125.029 122.820 0.017 0.000 2.511 26 A HA 0.575 4.894 4.320 -0.002 0.000 0.242 26 A C 0.277 177.869 177.584 0.012 0.000 1.069 26 A CA -0.238 51.807 52.037 0.014 0.000 0.763 26 A CB 0.017 19.025 19.000 0.014 0.000 1.001 26 A HN 0.823 nan 8.150 nan 0.000 0.498 27 Q N 1.021 120.827 119.800 0.010 0.000 2.683 27 Q HA 0.810 5.149 4.340 -0.002 0.000 0.302 27 Q C -1.047 174.958 176.000 0.008 0.000 1.042 27 Q CA -0.914 54.894 55.803 0.009 0.000 0.773 27 Q CB 1.524 30.267 28.738 0.008 0.000 1.508 27 Q HN 0.798 nan 8.270 nan 0.000 0.459 28 E N -0.523 119.682 120.200 0.007 0.000 2.380 28 E HA 0.435 4.784 4.350 -0.002 0.000 0.281 28 E C -1.439 175.166 176.600 0.007 0.000 0.999 28 E CA -0.956 55.448 56.400 0.007 0.000 0.800 28 E CB 1.848 31.552 29.700 0.008 0.000 1.228 28 E HN 0.490 nan 8.360 nan 0.000 0.436 29 T N 2.547 117.105 114.554 0.007 0.000 2.795 29 T HA 0.564 4.913 4.350 -0.002 0.000 0.282 29 T C -0.451 174.253 174.700 0.008 0.000 0.980 29 T CA -0.409 61.696 62.100 0.008 0.000 1.012 29 T CB 0.332 69.205 68.868 0.008 0.000 0.936 29 T HN 0.319 nan 8.240 nan 0.000 0.457 30 L N 4.437 125.665 121.223 0.008 0.000 2.393 30 L HA 0.532 4.871 4.340 -0.002 0.000 0.260 30 L C -2.496 174.380 176.870 0.011 0.000 1.002 30 L CA -2.758 52.088 54.840 0.010 0.000 0.818 30 L CB 2.739 44.804 42.059 0.011 0.000 1.369 30 L HN 0.373 nan 8.230 nan 0.000 0.412 31 P HA 0.185 nan 4.420 nan 0.000 0.274 31 P C 0.798 178.108 177.300 0.016 0.000 1.231 31 P CA -0.458 62.651 63.100 0.014 0.000 0.790 31 P CB 0.754 32.463 31.700 0.014 0.000 0.951 32 L N 1.821 123.054 121.223 0.016 0.000 2.043 32 L HA -0.168 4.171 4.340 -0.002 0.000 0.212 32 L C 2.158 179.045 176.870 0.029 0.000 1.075 32 L CA 1.636 56.486 54.840 0.017 0.000 0.752 32 L CB -0.761 41.308 42.059 0.017 0.000 0.891 32 L HN 0.246 nan 8.230 nan 0.000 0.432 33 V N -0.383 119.550 119.914 0.032 0.000 3.383 33 V HA -0.201 3.918 4.120 -0.002 0.000 0.272 33 V C 1.643 177.766 176.094 0.048 0.000 1.181 33 V CA 1.368 63.693 62.300 0.042 0.000 1.171 33 V CB -0.350 31.490 31.823 0.028 0.000 0.800 33 V HN 0.537 nan 8.190 nan 0.000 0.515 34 Q N -2.384 117.443 119.800 0.045 0.000 2.171 34 Q HA 0.163 4.503 4.340 -0.002 0.000 0.218 34 Q C 1.384 177.419 176.000 0.058 0.000 0.822 34 Q CA 0.064 55.895 55.803 0.048 0.000 0.987 34 Q CB 0.665 29.421 28.738 0.030 0.000 1.144 34 Q HN 0.665 nan 8.270 nan 0.000 0.494 35 C N 0.317 119.653 119.300 0.059 0.000 2.906 35 C HA 0.220 4.679 4.460 -0.002 0.000 0.274 35 C C 0.690 175.694 174.990 0.024 0.000 1.257 35 C CA -0.697 58.336 59.018 0.025 0.000 1.695 35 C CB -1.081 26.649 27.740 -0.016 0.000 1.958 35 C HN 0.427 nan 8.230 nan 0.000 0.619 36 F N 1.850 121.779 119.950 -0.034 0.000 2.546 36 F HA 0.394 4.921 4.527 0.001 0.000 0.388 36 F C 1.374 177.153 175.800 -0.034 0.000 1.051 36 F CA 1.891 59.869 58.000 -0.037 0.000 1.130 36 F CB 0.139 39.122 39.000 -0.029 0.000 1.044 36 F HN 0.468 nan 8.300 nan 0.000 0.553 37 G N 3.938 112.586 108.800 -0.254 0.000 2.194 37 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.236 37 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.236 37 G C 0.309 175.174 174.900 -0.059 0.000 0.987 37 G CA -0.478 44.578 45.100 -0.073 0.000 0.635 37 G HN 0.561 nan 8.290 nan 0.000 0.520 38 R N 0.380 120.841 120.500 -0.065 0.000 2.441 38 R HA 0.478 4.817 4.340 -0.002 0.000 0.284 38 R C 0.475 176.729 176.300 -0.076 0.000 1.070 38 R CA -0.742 55.330 56.100 -0.047 0.000 1.047 38 R CB 0.614 30.899 30.300 -0.025 0.000 1.016 38 R HN 0.194 nan 8.270 nan 0.000 0.477 39 I N 3.694 124.233 120.570 -0.051 0.000 2.416 39 I HA 0.135 4.304 4.170 -0.002 0.000 0.288 39 I C 1.117 177.210 176.117 -0.039 0.000 1.051 39 I CA -0.703 60.567 61.300 -0.049 0.000 1.375 39 I CB -0.126 37.857 38.000 -0.030 0.000 1.407 39 I HN 0.347 nan 8.210 nan 0.000 0.516 40 L N 5.207 126.403 121.223 -0.045 0.000 2.485 40 L HA 0.112 4.451 4.340 -0.002 0.000 0.275 40 L C 1.143 178.009 176.870 -0.006 0.000 1.207 40 L CA 0.052 54.877 54.840 -0.024 0.000 0.855 40 L CB 1.208 43.258 42.059 -0.015 0.000 1.114 40 L HN 0.827 nan 8.230 nan 0.000 0.485 41 A N 2.337 125.158 122.820 0.002 0.000 2.288 41 A HA 0.253 4.572 4.320 -0.002 0.000 0.216 41 A C 0.503 178.094 177.584 0.012 0.000 1.199 41 A CA 0.079 52.121 52.037 0.007 0.000 0.891 41 A CB 0.376 19.380 19.000 0.007 0.000 0.923 41 A HN 0.572 nan 8.150 nan 0.000 0.500 42 S N 1.226 116.937 115.700 0.017 0.000 2.750 42 S HA 0.300 4.769 4.470 -0.002 0.000 0.276 42 S C -1.766 172.852 174.600 0.029 0.000 1.165 42 S CA -0.948 57.264 58.200 0.020 0.000 1.047 42 S CB 0.907 64.116 63.200 0.016 0.000 1.056 42 S HN 0.424 nan 8.310 nan 0.000 0.481 43 D N 1.898 122.317 120.400 0.031 0.000 2.772 43 D HA 0.007 4.646 4.640 -0.002 0.000 0.227 43 D C 0.050 176.377 176.300 0.045 0.000 1.114 43 D CA 0.522 54.547 54.000 0.041 0.000 0.832 43 D CB 0.258 41.072 40.800 0.023 0.000 1.154 43 D HN 0.151 nan 8.370 nan 0.000 0.514 44 V N 3.825 123.785 119.914 0.077 0.000 2.521 44 V HA 0.067 4.186 4.120 -0.002 0.000 0.286 44 V C 0.468 176.582 176.094 0.034 0.000 1.034 44 V CA -0.178 62.168 62.300 0.077 0.000 1.045 44 V CB 1.053 32.971 31.823 0.158 0.000 0.974 44 V HN 0.285 nan 8.190 nan 0.000 0.480 45 V N 4.723 124.647 119.914 0.016 0.000 2.417 45 V HA 0.289 4.408 4.120 -0.002 0.000 0.291 45 V C 0.402 176.490 176.094 -0.011 0.000 1.024 45 V CA -0.381 61.915 62.300 -0.007 0.000 0.861 45 V CB 2.082 33.902 31.823 -0.005 0.000 0.985 45 V HN 0.896 nan 8.190 nan 0.000 0.436 46 S N 7.441 123.124 115.700 -0.029 0.000 2.466 46 S HA 0.170 4.639 4.470 -0.002 0.000 0.286 46 S C -0.856 173.728 174.600 -0.027 0.000 1.221 46 S CA -0.862 57.319 58.200 -0.031 0.000 1.091 46 S CB 0.677 63.847 63.200 -0.050 0.000 0.956 46 S HN 0.687 nan 8.310 nan 0.000 0.501 47 P HA 0.064 nan 4.420 nan 0.000 0.226 47 P C -0.203 177.077 177.300 -0.034 0.000 1.153 47 P CA 0.573 63.660 63.100 -0.021 0.000 0.777 47 P CB -0.186 31.507 31.700 -0.013 0.000 0.794 48 L N -3.908 117.289 121.223 -0.044 0.000 2.322 48 L HA 0.684 5.023 4.340 -0.002 0.000 0.252 48 L C -0.471 176.355 176.870 -0.075 0.000 1.055 48 L CA -1.216 53.584 54.840 -0.066 0.000 0.849 48 L CB 0.390 42.403 42.059 -0.077 0.000 1.446 48 L HN -0.423 nan 8.230 nan 0.000 0.416 49 D N 0.352 120.691 120.400 -0.102 0.000 2.193 49 D HA 0.650 5.289 4.640 -0.002 0.000 0.249 49 D C -1.141 175.098 176.300 -0.102 0.000 1.034 49 D CA -0.018 53.924 54.000 -0.097 0.000 0.902 49 D CB 2.526 43.262 40.800 -0.106 0.000 1.182 49 D HN 0.374 nan 8.370 nan 0.000 0.436 50 V N 3.612 123.482 119.914 -0.073 0.000 2.524 50 V HA 0.267 4.386 4.120 -0.002 0.000 0.297 50 V C -2.338 173.734 176.094 -0.036 0.000 1.035 50 V CA -1.605 60.661 62.300 -0.056 0.000 0.867 50 V CB 2.026 33.823 31.823 -0.043 0.000 1.004 50 V HN 0.396 nan 8.190 nan 0.000 0.426 51 P HA 0.085 nan 4.420 nan 0.000 0.268 51 P C 1.074 178.325 177.300 -0.082 0.000 1.208 51 P CA 0.338 63.424 63.100 -0.023 0.000 0.777 51 P CB 1.030 32.743 31.700 0.022 0.000 0.875 52 G N 1.023 109.731 108.800 -0.153 0.000 2.432 52 G HA2 -0.083 3.876 3.960 -0.002 0.000 0.219 52 G HA3 -0.083 3.876 3.960 -0.002 0.000 0.219 52 G C 0.198 174.766 174.900 -0.553 0.000 1.135 52 G CA 0.464 45.332 45.100 -0.386 0.000 0.767 52 G HN 0.449 nan 8.290 nan 0.000 0.550 53 F N -1.031 118.923 119.950 0.005 0.000 2.618 53 F HA 0.398 4.923 4.527 -0.002 0.000 0.332 53 F C -0.241 175.559 175.800 0.000 0.000 1.061 53 F CA -1.332 56.669 58.000 0.002 0.000 0.974 53 F CB 1.669 40.673 39.000 0.006 0.000 1.310 53 F HN -0.240 nan 8.300 nan 0.000 0.491 54 D N 1.761 122.313 120.400 0.253 0.000 2.304 54 D HA 0.188 4.827 4.640 -0.002 0.000 0.250 54 D C -0.883 175.476 176.300 0.098 0.000 1.107 54 D CA 0.365 54.437 54.000 0.121 0.000 0.885 54 D CB 0.717 41.564 40.800 0.079 0.000 1.192 54 D HN 0.686 nan 8.370 nan 0.000 0.436 55 N N -0.693 118.047 118.700 0.067 0.000 3.116 55 N HA 0.088 4.827 4.740 -0.002 0.000 0.244 55 N C -1.606 173.924 175.510 0.034 0.000 1.485 55 N CA -0.677 52.405 53.050 0.054 0.000 0.884 55 N CB 1.261 39.789 38.487 0.069 0.000 1.415 55 N HN 0.177 nan 8.380 nan 0.000 0.524 56 S N -0.574 115.140 115.700 0.024 0.000 2.422 56 S HA 0.568 5.037 4.470 -0.002 0.000 0.308 56 S C 1.147 175.752 174.600 0.009 0.000 1.097 56 S CA -0.068 58.140 58.200 0.013 0.000 1.099 56 S CB 1.039 64.238 63.200 -0.001 0.000 0.976 56 S HN 0.816 nan 8.310 nan 0.000 0.471 57 A N 4.638 127.464 122.820 0.011 0.000 2.024 57 A HA 0.117 4.436 4.320 -0.002 0.000 0.220 57 A C 0.904 178.489 177.584 0.003 0.000 1.164 57 A CA 1.087 53.129 52.037 0.009 0.000 0.643 57 A CB -0.394 18.613 19.000 0.010 0.000 0.806 57 A HN 0.851 nan 8.150 nan 0.000 0.451 58 M N -1.270 118.328 119.600 -0.003 0.000 2.619 58 M HA 0.288 4.767 4.480 -0.002 0.000 0.297 58 M C -1.632 174.644 176.300 -0.040 0.000 1.229 58 M CA -0.792 54.500 55.300 -0.013 0.000 0.860 58 M CB 2.163 34.761 32.600 -0.002 0.000 1.741 58 M HN 0.019 nan 8.290 nan 0.000 0.462 59 D N 1.282 121.649 120.400 -0.055 0.000 2.325 59 D HA 0.533 5.172 4.640 -0.002 0.000 0.251 59 D C -0.035 176.172 176.300 -0.156 0.000 1.196 59 D CA 0.876 54.812 54.000 -0.107 0.000 0.866 59 D CB 0.802 41.550 40.800 -0.086 0.000 1.101 59 D HN 0.747 nan 8.370 nan 0.000 0.476 60 G N 2.693 111.335 108.800 -0.264 0.000 2.680 60 G HA2 0.081 4.040 3.960 -0.002 0.000 0.092 60 G HA3 0.081 4.040 3.960 -0.002 0.000 0.092 60 G C -1.462 172.990 174.900 -0.747 0.000 1.097 60 G CA -0.460 44.376 45.100 -0.439 0.000 1.368 60 G HN 0.380 nan 8.290 nan 0.000 0.619 61 Y N 1.286 121.629 120.300 0.071 0.000 2.332 61 Y HA 0.667 5.216 4.550 -0.001 0.000 0.325 61 Y C 0.438 176.424 175.900 0.143 0.000 1.054 61 Y CA -0.402 57.768 58.100 0.117 0.000 1.119 61 Y CB 2.164 40.767 38.460 0.239 0.000 1.168 61 Y HN 0.698 nan 8.280 nan 0.000 0.439 62 A N 3.045 126.018 122.820 0.256 0.000 2.477 62 A HA 0.679 4.998 4.320 -0.002 0.000 0.246 62 A C -0.545 177.304 177.584 0.442 0.000 1.078 62 A CA -0.097 52.114 52.037 0.291 0.000 0.770 62 A CB 0.186 19.384 19.000 0.331 0.000 1.011 62 A HN 0.524 nan 8.150 nan 0.000 0.494 63 V N 2.474 122.586 119.914 0.330 0.000 3.012 63 V HA 0.558 4.677 4.120 -0.002 0.000 0.307 63 V C -0.569 175.590 176.094 0.108 0.000 1.166 63 V CA -1.048 61.431 62.300 0.299 0.000 0.974 63 V CB 2.103 33.852 31.823 -0.123 0.000 1.040 63 V HN 0.969 nan 8.190 nan 0.000 0.428 64 R N 1.370 121.928 120.500 0.096 0.000 2.598 64 R HA 0.702 5.041 4.340 -0.002 0.000 0.279 64 R C 0.462 176.743 176.300 -0.032 0.000 0.984 64 R CA -0.764 55.300 56.100 -0.060 0.000 0.999 64 R CB 0.870 31.066 30.300 -0.174 0.000 1.114 64 R HN 0.664 nan 8.270 nan 0.000 0.493 65 L N 0.980 122.171 121.223 -0.054 0.000 2.492 65 L HA 0.164 4.503 4.340 -0.002 0.000 0.223 65 L C 1.765 178.619 176.870 -0.026 0.000 1.132 65 L CA 1.117 55.930 54.840 -0.045 0.000 0.850 65 L CB -0.395 41.637 42.059 -0.046 0.000 0.966 65 L HN 0.780 nan 8.230 nan 0.000 0.454 66 A N 0.866 123.672 122.820 -0.023 0.000 1.874 66 A HA -0.120 4.199 4.320 -0.002 0.000 0.214 66 A C 1.026 178.625 177.584 0.025 0.000 1.189 66 A CA 1.254 53.286 52.037 -0.008 0.000 0.615 66 A CB -0.554 18.431 19.000 -0.023 0.000 0.830 66 A HN 0.531 nan 8.150 nan 0.000 0.443 67 D N -1.573 118.863 120.400 0.060 0.000 3.139 67 D HA 0.475 5.114 4.640 -0.002 0.000 0.268 67 D C 0.086 176.453 176.300 0.112 0.000 1.322 67 D CA -0.129 53.945 54.000 0.123 0.000 0.940 67 D CB 0.613 41.561 40.800 0.246 0.000 1.050 67 D HN 0.344 nan 8.370 nan 0.000 0.503 68 I N -0.942 119.657 120.570 0.048 0.000 5.347 68 I HA 0.092 4.261 4.170 -0.002 0.000 0.346 68 I C 1.678 177.803 176.117 0.013 0.000 1.177 68 I CA 0.214 61.520 61.300 0.010 0.000 1.553 68 I CB 0.008 37.952 38.000 -0.093 0.000 1.757 68 I HN 0.169 nan 8.210 nan 0.000 0.603 69 A N 1.238 124.064 122.820 0.009 0.000 1.948 69 A HA -0.280 4.039 4.320 -0.002 0.000 0.220 69 A C 2.252 179.849 177.584 0.021 0.000 1.177 69 A CA 2.647 54.690 52.037 0.009 0.000 0.636 69 A CB -0.975 18.029 19.000 0.006 0.000 0.815 69 A HN 0.663 nan 8.150 nan 0.000 0.449 70 S N -1.204 114.514 115.700 0.029 0.000 2.420 70 S HA 0.140 4.609 4.470 -0.002 0.000 0.237 70 S C 1.630 176.251 174.600 0.035 0.000 1.023 70 S CA 1.397 59.615 58.200 0.030 0.000 0.991 70 S CB -1.155 62.066 63.200 0.034 0.000 0.792 70 S HN 2.150 nan 8.310 nan 0.000 0.488 71 G N 0.647 109.476 108.800 0.048 0.000 2.198 71 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.257 71 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.257 71 G C -0.275 174.657 174.900 0.054 0.000 1.042 71 G CA 0.251 45.386 45.100 0.058 0.000 0.791 71 G HN 0.675 nan 8.290 nan 0.000 0.502 72 Q N 0.127 119.963 119.800 0.059 0.000 2.314 72 Q HA 0.376 4.715 4.340 -0.002 0.000 0.259 72 Q C -2.437 173.598 176.000 0.058 0.000 0.951 72 Q CA -2.023 53.805 55.803 0.043 0.000 0.909 72 Q CB 1.528 30.287 28.738 0.035 0.000 1.236 72 Q HN 0.142 nan 8.270 nan 0.000 0.444 73 P HA -0.003 nan 4.420 nan 0.000 0.258 73 P C -0.907 176.365 177.300 -0.046 0.000 1.214 73 P CA 0.335 63.411 63.100 -0.041 0.000 0.872 73 P CB -0.013 31.626 31.700 -0.101 0.000 0.890 74 L N 6.857 128.085 121.223 0.008 0.000 2.371 74 L HA 0.420 4.759 4.340 -0.002 0.000 0.272 74 L C -1.665 175.129 176.870 -0.127 0.000 1.124 74 L CA -1.814 53.016 54.840 -0.018 0.000 0.816 74 L CB -0.028 42.065 42.059 0.057 0.000 1.129 74 L HN 0.254 nan 8.230 nan 0.000 0.448 75 P HA 0.249 nan 4.420 nan 0.000 0.312 75 P C -0.917 176.253 177.300 -0.217 0.000 1.308 75 P CA -0.501 62.495 63.100 -0.174 0.000 0.743 75 P CB 0.694 32.321 31.700 -0.122 0.000 1.364 76 V N -0.274 119.523 119.914 -0.195 0.000 2.472 76 V HA 0.417 4.536 4.120 -0.002 0.000 0.290 76 V C 1.284 177.262 176.094 -0.193 0.000 1.037 76 V CA 0.062 62.233 62.300 -0.214 0.000 0.908 76 V CB 0.629 32.376 31.823 -0.126 0.000 0.985 76 V HN 0.684 nan 8.190 nan 0.000 0.454 77 A N 3.450 126.119 122.820 -0.251 0.000 1.984 77 A HA 0.643 4.962 4.320 -0.002 0.000 0.214 77 A C 1.055 178.588 177.584 -0.085 0.000 1.173 77 A CA 1.044 53.005 52.037 -0.127 0.000 0.673 77 A CB -0.034 18.917 19.000 -0.083 0.000 0.830 77 A HN 1.078 nan 8.150 nan 0.000 0.453 78 G N -1.312 107.330 108.800 -0.264 0.000 2.815 78 G HA2 0.563 4.522 3.960 -0.002 0.000 0.305 78 G HA3 0.563 4.522 3.960 -0.002 0.000 0.305 78 G C -1.526 173.026 174.900 -0.581 0.000 1.277 78 G CA -0.555 44.260 45.100 -0.474 0.000 0.795 78 G HN 0.057 nan 8.290 nan 0.000 0.528 79 K N 0.082 120.085 120.400 -0.662 0.000 2.565 79 K HA 0.496 4.815 4.320 -0.002 0.000 0.251 79 K C -1.289 175.159 176.600 -0.253 0.000 0.956 79 K CA -0.513 55.543 56.287 -0.386 0.000 0.809 79 K CB 2.066 34.520 32.500 -0.078 0.000 1.267 79 K HN 0.630 nan 8.250 nan 0.000 0.438 80 S N 3.323 118.821 115.700 -0.335 0.000 2.475 80 S HA 0.786 5.255 4.470 -0.002 0.000 0.298 80 S C -0.967 173.407 174.600 -0.377 0.000 1.119 80 S CA -0.461 57.676 58.200 -0.104 0.000 1.085 80 S CB 0.387 63.580 63.200 -0.011 0.000 1.028 80 S HN 0.367 nan 8.310 nan 0.000 0.489 81 F N 1.287 121.258 119.950 0.036 0.000 2.620 81 F HA 0.697 5.223 4.527 -0.002 0.000 0.320 81 F C 1.224 177.047 175.800 0.039 0.000 1.069 81 F CA -0.726 57.289 58.000 0.026 0.000 0.953 81 F CB 1.087 40.101 39.000 0.023 0.000 1.322 81 F HN 0.689 nan 8.300 nan 0.000 0.479 82 A N 0.804 123.764 122.820 0.233 0.000 1.902 82 A HA 0.095 4.414 4.320 -0.002 0.000 0.217 82 A C 1.800 179.473 177.584 0.148 0.000 1.181 82 A CA 1.840 53.968 52.037 0.152 0.000 0.623 82 A CB -1.182 17.889 19.000 0.119 0.000 0.818 82 A HN 0.930 nan 8.150 nan 0.000 0.443 83 G N -1.913 106.978 108.800 0.152 0.000 3.707 83 G HA2 0.439 4.398 3.960 -0.002 0.000 0.286 83 G HA3 0.439 4.398 3.960 -0.002 0.000 0.286 83 G C -0.086 174.875 174.900 0.103 0.000 1.112 83 G CA 0.343 45.507 45.100 0.107 0.000 0.861 83 G HN 0.349 nan 8.290 nan 0.000 0.534 84 Q N 0.368 120.270 119.800 0.170 0.000 3.088 84 Q HA 0.271 4.610 4.340 -0.002 0.000 0.205 84 Q C -2.860 173.313 176.000 0.289 0.000 0.782 84 Q CA -1.166 54.750 55.803 0.187 0.000 0.897 84 Q CB 2.385 31.176 28.738 0.087 0.000 1.495 84 Q HN 0.132 nan 8.270 nan 0.000 0.459 85 P HA 0.189 nan 4.420 nan 0.000 0.302 85 P C -1.236 176.268 177.300 0.341 0.000 1.301 85 P CA -0.188 63.041 63.100 0.215 0.000 0.745 85 P CB 0.445 32.198 31.700 0.089 0.000 1.331 86 Y N -0.621 119.667 120.300 -0.019 0.000 2.354 86 Y HA 0.422 4.971 4.550 -0.002 0.000 0.330 86 Y C -0.931 174.919 175.900 -0.083 0.000 1.011 86 Y CA -0.842 57.308 58.100 0.083 0.000 1.099 86 Y CB 1.090 39.585 38.460 0.059 0.000 1.179 86 Y HN 0.346 nan 8.280 nan 0.000 0.442 87 H N 4.209 123.053 119.070 -0.376 0.000 2.448 87 H HA 0.471 5.026 4.556 -0.002 0.000 0.237 87 H C 0.149 175.188 175.328 -0.481 0.000 1.391 87 H CA -0.609 55.185 56.048 -0.423 0.000 1.477 87 H CB 0.878 30.543 29.762 -0.162 0.000 1.520 87 H HN 0.804 nan 8.280 nan 0.000 0.502 88 G N 0.387 108.695 108.800 -0.820 0.000 3.414 88 G HA2 0.336 4.295 3.960 -0.002 0.000 0.196 88 G HA3 0.336 4.295 3.960 -0.002 0.000 0.196 88 G C 0.167 175.004 174.900 -0.106 0.000 1.486 88 G CA -0.251 44.667 45.100 -0.302 0.000 0.811 88 G HN 0.392 nan 8.290 nan 0.000 0.704 89 E N -2.973 117.272 120.200 0.076 0.000 3.293 89 E HA 0.156 4.505 4.350 -0.002 0.000 0.218 89 E C -0.300 176.476 176.600 0.294 0.000 1.112 89 E CA -0.402 56.077 56.400 0.132 0.000 1.642 89 E CB 1.098 30.874 29.700 0.127 0.000 1.630 89 E HN 0.313 nan 8.360 nan 0.000 0.820 90 W N 3.181 124.564 121.300 0.139 0.000 3.422 90 W HA -0.116 4.543 4.660 -0.002 0.000 0.444 90 W C -2.555 174.008 176.519 0.072 0.000 1.806 90 W CA -0.259 57.164 57.345 0.130 0.000 0.533 90 W CB -1.543 28.000 29.460 0.139 0.000 2.872 90 W HN 0.025 nan 8.180 nan 0.000 0.563 91 P HA 0.212 nan 4.420 nan 0.000 0.278 91 P C 0.309 177.805 177.300 0.326 0.000 1.268 91 P CA 1.189 64.427 63.100 0.229 0.000 0.813 91 P CB 0.269 32.035 31.700 0.110 0.000 1.180 92 A N -0.024 122.914 122.820 0.196 0.000 3.019 92 A HA 0.498 4.817 4.320 -0.002 0.000 0.262 92 A C 0.772 178.457 177.584 0.168 0.000 1.509 92 A CA 0.569 52.715 52.037 0.183 0.000 1.159 92 A CB -1.550 17.512 19.000 0.105 0.000 1.042 92 A HN 0.626 nan 8.150 nan 0.000 0.641 93 G N 0.162 109.081 108.800 0.200 0.000 4.003 93 G HA2 0.374 4.333 3.960 -0.002 0.000 0.234 93 G HA3 0.374 4.333 3.960 -0.002 0.000 0.234 93 G C -0.364 174.538 174.900 0.004 0.000 3.841 93 G CA 0.209 45.382 45.100 0.120 0.000 0.584 93 G HN 0.671 nan 8.290 nan 0.000 0.240 94 T N -2.072 112.410 114.554 -0.120 0.000 2.831 94 T HA 0.709 5.058 4.350 -0.002 0.000 0.287 94 T C -0.080 174.202 174.700 -0.698 0.000 1.070 94 T CA -0.484 61.316 62.100 -0.501 0.000 1.010 94 T CB 2.075 70.486 68.868 -0.763 0.000 1.264 94 T HN 1.438 nan 8.240 nan 0.000 0.532 95 C N 0.320 119.201 119.300 -0.699 0.000 3.309 95 C HA 0.632 5.091 4.460 -0.002 0.000 0.335 95 C C -0.626 174.206 174.990 -0.264 0.000 1.018 95 C CA -1.155 57.617 59.018 -0.409 0.000 1.326 95 C CB -2.126 25.717 27.740 0.173 0.000 1.752 95 C HN 0.793 nan 8.230 nan 0.000 0.567 96 I N 3.158 123.454 120.570 -0.457 0.000 2.710 96 I HA 0.195 4.364 4.170 -0.002 0.000 0.286 96 I C 1.113 177.228 176.117 -0.002 0.000 1.181 96 I CA 0.746 61.914 61.300 -0.220 0.000 1.430 96 I CB 0.255 38.147 38.000 -0.180 0.000 1.367 96 I HN 0.826 nan 8.210 nan 0.000 0.577 97 R N 6.819 127.286 120.500 -0.055 0.000 2.615 97 R HA 0.702 5.041 4.340 -0.002 0.000 0.270 97 R C -0.868 175.231 176.300 -0.336 0.000 1.081 97 R CA -0.214 55.758 56.100 -0.214 0.000 1.154 97 R CB 0.690 30.872 30.300 -0.196 0.000 1.063 97 R HN 0.711 nan 8.270 nan 0.000 0.519 98 I N 3.160 123.493 120.570 -0.395 0.000 2.741 98 I HA 0.139 4.308 4.170 -0.002 0.000 0.288 98 I C -1.268 174.667 176.117 -0.303 0.000 1.482 98 I CA -1.011 60.071 61.300 -0.363 0.000 1.050 98 I CB 1.909 39.795 38.000 -0.190 0.000 1.388 98 I HN 0.679 nan 8.210 nan 0.000 0.428 99 M N 4.803 124.229 119.600 -0.291 0.000 2.157 99 M HA 0.377 4.856 4.480 -0.002 0.000 0.304 99 M C 0.529 176.784 176.300 -0.075 0.000 1.171 99 M CA -0.186 55.031 55.300 -0.139 0.000 1.157 99 M CB 0.103 32.681 32.600 -0.036 0.000 1.403 99 M HN 0.612 nan 8.290 nan 0.000 0.473 100 A N 0.579 123.376 122.820 -0.038 0.000 2.451 100 A HA 0.489 4.808 4.320 -0.002 0.000 0.266 100 A C 1.178 178.768 177.584 0.010 0.000 1.119 100 A CA 0.431 52.460 52.037 -0.014 0.000 0.786 100 A CB -0.872 18.124 19.000 -0.006 0.000 1.061 100 A HN 1.317 nan 8.150 nan 0.000 0.503 101 G N 0.959 109.769 108.800 0.017 0.000 2.194 101 G HA2 0.159 4.118 3.960 -0.002 0.000 0.236 101 G HA3 0.159 4.118 3.960 -0.002 0.000 0.236 101 G C 0.526 175.456 174.900 0.051 0.000 0.987 101 G CA 0.235 45.358 45.100 0.038 0.000 0.635 101 G HN 2.097 nan 8.290 nan 0.000 0.520 102 A N 1.446 124.285 122.820 0.032 0.000 2.327 102 A HA 0.742 5.061 4.320 -0.002 0.000 0.283 102 A C -1.864 175.738 177.584 0.030 0.000 1.127 102 A CA -1.135 50.923 52.037 0.035 0.000 0.810 102 A CB 0.654 19.647 19.000 -0.013 0.000 1.066 102 A HN 0.195 nan 8.150 nan 0.000 0.492 103 P HA 0.063 nan 4.420 nan 0.000 0.271 103 P C 0.030 177.339 177.300 0.015 0.000 1.233 103 P CA 0.223 63.333 63.100 0.016 0.000 0.764 103 P CB 0.666 32.335 31.700 -0.052 0.000 0.825 104 V N 7.283 127.211 119.914 0.023 0.000 2.599 104 V HA 0.045 4.164 4.120 -0.002 0.000 0.300 104 V C -1.522 174.594 176.094 0.037 0.000 1.034 104 V CA -1.230 61.093 62.300 0.039 0.000 1.115 104 V CB 0.027 31.868 31.823 0.029 0.000 0.934 104 V HN 0.568 nan 8.190 nan 0.000 0.485 105 P HA 0.026 nan 4.420 nan 0.000 0.266 105 P C -0.344 176.947 177.300 -0.016 0.000 1.195 105 P CA -0.083 63.098 63.100 0.135 0.000 0.768 105 P CB 0.336 32.250 31.700 0.358 0.000 0.838 106 E N 1.961 122.119 120.200 -0.070 0.000 2.905 106 E HA 0.134 4.483 4.350 -0.002 0.000 0.240 106 E C 1.148 177.662 176.600 -0.143 0.000 0.990 106 E CA 1.426 57.761 56.400 -0.108 0.000 0.954 106 E CB -1.074 28.554 29.700 -0.120 0.000 0.908 106 E HN 0.776 nan 8.360 nan 0.000 0.532 107 G N 3.321 112.042 108.800 -0.132 0.000 2.171 107 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.238 107 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.238 107 G C 0.192 174.956 174.900 -0.226 0.000 1.039 107 G CA -0.203 44.800 45.100 -0.163 0.000 0.759 107 G HN 0.692 nan 8.290 nan 0.000 0.501 108 C N 0.462 119.651 119.300 -0.185 0.000 2.539 108 C HA 0.629 5.088 4.460 -0.002 0.000 0.392 108 C C 1.565 176.486 174.990 -0.115 0.000 1.269 108 C CA 0.239 59.144 59.018 -0.188 0.000 2.250 108 C CB 0.524 28.216 27.740 -0.079 0.000 2.584 108 C HN 0.608 nan 8.230 nan 0.000 0.589 109 E N 2.767 122.905 120.200 -0.104 0.000 2.562 109 E HA 0.445 4.794 4.350 -0.002 0.000 0.214 109 E C -0.044 176.531 176.600 -0.041 0.000 0.979 109 E CA 0.113 56.471 56.400 -0.070 0.000 1.002 109 E CB 0.443 30.095 29.700 -0.080 0.000 1.048 109 E HN 0.669 nan 8.360 nan 0.000 0.488 110 A N 0.519 123.325 122.820 -0.024 0.000 2.581 110 A HA 0.491 4.811 4.320 -0.002 0.000 0.294 110 A C -1.546 176.052 177.584 0.024 0.000 1.035 110 A CA -0.593 51.439 52.037 -0.008 0.000 0.684 110 A CB 1.527 20.511 19.000 -0.027 0.000 1.282 110 A HN -0.004 nan 8.150 nan 0.000 0.417 111 V N 0.906 120.839 119.914 0.031 0.000 2.680 111 V HA 0.706 4.825 4.120 -0.002 0.000 0.309 111 V C -0.641 175.492 176.094 0.065 0.000 1.052 111 V CA -0.505 61.830 62.300 0.059 0.000 0.908 111 V CB 1.936 33.786 31.823 0.045 0.000 1.001 111 V HN 1.023 nan 8.190 nan 0.000 0.431 112 V N 4.621 124.608 119.914 0.121 0.000 2.482 112 V HA 0.472 4.591 4.120 -0.002 0.000 0.295 112 V C -0.231 175.974 176.094 0.186 0.000 1.026 112 V CA -0.810 61.588 62.300 0.165 0.000 0.856 112 V CB 1.348 33.322 31.823 0.251 0.000 1.001 112 V HN 0.958 nan 8.190 nan 0.000 0.424 113 M N 2.626 122.292 119.600 0.111 0.000 2.200 113 M HA 0.412 4.891 4.480 -0.002 0.000 0.355 113 M C 1.242 177.601 176.300 0.098 0.000 1.283 113 M CA 0.245 55.582 55.300 0.062 0.000 1.124 113 M CB 0.058 32.675 32.600 0.028 0.000 1.625 113 M HN 0.612 nan 8.290 nan 0.000 0.463 114 Q N 0.928 120.769 119.800 0.069 0.000 2.265 114 Q HA -0.320 4.019 4.340 -0.002 0.000 0.219 114 Q C 1.129 177.183 176.000 0.090 0.000 1.031 114 Q CA 2.393 58.261 55.803 0.108 0.000 0.949 114 Q CB -0.926 27.837 28.738 0.041 0.000 1.022 114 Q HN 0.823 nan 8.270 nan 0.000 0.419 115 E N 0.988 121.225 120.200 0.061 0.000 2.171 115 E HA -0.159 4.190 4.350 -0.002 0.000 0.197 115 E C 0.891 177.526 176.600 0.058 0.000 0.997 115 E CA 1.159 57.587 56.400 0.048 0.000 0.810 115 E CB -0.177 29.545 29.700 0.037 0.000 0.738 115 E HN 0.611 nan 8.360 nan 0.000 0.467 116 Q N 0.199 120.052 119.800 0.089 0.000 2.399 116 Q HA 0.197 4.536 4.340 -0.002 0.000 0.307 116 Q C -0.344 175.734 176.000 0.130 0.000 0.933 116 Q CA -0.022 55.845 55.803 0.107 0.000 0.995 116 Q CB 0.578 29.393 28.738 0.128 0.000 1.191 116 Q HN -0.095 nan 8.270 nan 0.000 0.426 117 T N -0.704 113.885 114.554 0.057 0.000 3.087 117 T HA 0.094 4.443 4.350 -0.002 0.000 0.351 117 T C -1.899 172.748 174.700 -0.088 0.000 1.520 117 T CA -0.666 61.400 62.100 -0.056 0.000 1.111 117 T CB 1.656 70.417 68.868 -0.180 0.000 1.353 117 T HN 0.227 nan 8.240 nan 0.000 0.481 118 E N 2.227 122.342 120.200 -0.141 0.000 2.248 118 E HA 0.532 4.881 4.350 -0.002 0.000 0.272 118 E C -0.660 175.826 176.600 -0.189 0.000 1.008 118 E CA -0.519 55.808 56.400 -0.123 0.000 0.856 118 E CB 1.372 31.019 29.700 -0.088 0.000 1.120 118 E HN 0.738 nan 8.360 nan 0.000 0.397 119 Q N 3.007 122.724 119.800 -0.139 0.000 2.348 119 Q HA 0.647 4.986 4.340 -0.002 0.000 0.271 119 Q C -0.123 175.809 176.000 -0.114 0.000 1.067 119 Q CA -0.828 54.882 55.803 -0.155 0.000 0.839 119 Q CB 2.169 30.840 28.738 -0.113 0.000 1.354 119 Q HN 0.439 nan 8.270 nan 0.000 0.447 120 M N -0.601 118.928 119.600 -0.118 0.000 3.517 120 M HA 0.348 4.827 4.480 -0.002 0.000 0.293 120 M C -1.191 175.062 176.300 -0.079 0.000 1.404 120 M CA -0.652 54.596 55.300 -0.086 0.000 0.837 120 M CB 0.743 33.294 32.600 -0.082 0.000 1.756 120 M HN 0.604 nan 8.290 nan 0.000 0.474 121 D N 0.022 120.386 120.400 -0.060 0.000 2.348 121 D HA -0.061 4.578 4.640 -0.002 0.000 0.216 121 D C 1.186 177.452 176.300 -0.056 0.000 0.970 121 D CA 1.533 55.502 54.000 -0.051 0.000 0.889 121 D CB -0.379 40.398 40.800 -0.038 0.000 0.912 121 D HN 0.753 nan 8.370 nan 0.000 0.524 122 N N -0.430 118.230 118.700 -0.066 0.000 2.397 122 N HA 0.146 4.885 4.740 -0.002 0.000 0.190 122 N C 0.885 176.341 175.510 -0.091 0.000 1.099 122 N CA 0.392 53.402 53.050 -0.066 0.000 0.876 122 N CB 0.947 39.403 38.487 -0.050 0.000 1.143 122 N HN 0.261 nan 8.380 nan 0.000 0.468 123 G N 0.354 109.080 108.800 -0.124 0.000 2.450 123 G HA2 0.340 4.299 3.960 -0.002 0.000 0.273 123 G HA3 0.340 4.299 3.960 -0.002 0.000 0.273 123 G C -1.951 172.783 174.900 -0.278 0.000 1.221 123 G CA -0.288 44.703 45.100 -0.182 0.000 0.900 123 G HN -0.021 nan 8.290 nan 0.000 0.483 124 V N 1.295 120.969 119.914 -0.401 0.000 2.315 124 V HA 0.444 4.563 4.120 -0.002 0.000 0.265 124 V C 0.478 176.105 176.094 -0.778 0.000 1.019 124 V CA -0.578 61.313 62.300 -0.682 0.000 0.824 124 V CB 0.799 31.979 31.823 -1.073 0.000 1.072 124 V HN 0.613 nan 8.190 nan 0.000 0.448 125 R N 3.044 123.283 120.500 -0.434 0.000 2.446 125 R HA 0.191 4.530 4.340 -0.002 0.000 0.325 125 R C -0.699 175.422 176.300 -0.299 0.000 0.997 125 R CA -0.097 55.846 56.100 -0.262 0.000 1.010 125 R CB 0.066 30.288 30.300 -0.129 0.000 0.946 125 R HN 0.498 nan 8.270 nan 0.000 0.422 126 F N 3.209 123.133 119.950 -0.044 0.000 2.468 126 F HA 0.042 4.568 4.527 -0.002 0.000 0.356 126 F C 1.626 177.424 175.800 -0.004 0.000 1.167 126 F CA 0.141 58.130 58.000 -0.018 0.000 1.135 126 F CB 1.005 40.002 39.000 -0.005 0.000 1.197 126 F HN 0.491 nan 8.300 nan 0.000 0.569 127 T N 2.155 116.772 114.554 0.104 0.000 3.219 127 T HA 0.211 4.560 4.350 -0.002 0.000 0.264 127 T C 0.677 175.424 174.700 0.077 0.000 1.178 127 T CA 0.855 62.994 62.100 0.064 0.000 1.057 127 T CB -0.382 68.504 68.868 0.031 0.000 0.919 127 T HN 0.615 nan 8.240 nan 0.000 0.545 128 A N -0.189 122.697 122.820 0.110 0.000 2.599 128 A HA 0.583 4.902 4.320 -0.002 0.000 0.290 128 A C -0.487 177.144 177.584 0.078 0.000 1.101 128 A CA -0.876 51.209 52.037 0.079 0.000 0.674 128 A CB 0.935 19.975 19.000 0.067 0.000 1.277 128 A HN 0.021 nan 8.150 nan 0.000 0.419 129 E N -0.656 119.572 120.200 0.047 0.000 2.451 129 E HA 0.432 4.781 4.350 -0.002 0.000 0.256 129 E C -0.986 175.623 176.600 0.016 0.000 1.294 129 E CA 0.324 56.739 56.400 0.026 0.000 1.005 129 E CB 0.961 30.671 29.700 0.017 0.000 0.990 129 E HN 0.571 nan 8.360 nan 0.000 0.505 130 V N 2.871 122.779 119.914 -0.009 0.000 2.624 130 V HA 0.249 4.368 4.120 -0.002 0.000 0.294 130 V C -0.413 175.665 176.094 -0.026 0.000 1.077 130 V CA -0.700 61.585 62.300 -0.026 0.000 0.905 130 V CB 1.720 33.494 31.823 -0.080 0.000 1.025 130 V HN 0.447 nan 8.190 nan 0.000 0.440 131 R N 2.437 122.929 120.500 -0.015 0.000 2.393 131 R HA 0.497 4.836 4.340 -0.002 0.000 0.310 131 R C 0.507 176.797 176.300 -0.016 0.000 0.968 131 R CA -0.305 55.787 56.100 -0.014 0.000 0.867 131 R CB 2.071 32.367 30.300 -0.007 0.000 1.124 131 R HN 0.924 nan 8.270 nan 0.000 0.450 132 S N 0.980 116.667 115.700 -0.021 0.000 2.643 132 S HA -0.032 4.437 4.470 -0.002 0.000 0.310 132 S C 1.237 175.828 174.600 -0.015 0.000 1.253 132 S CA 1.001 59.188 58.200 -0.022 0.000 1.047 132 S CB 0.268 63.454 63.200 -0.023 0.000 0.767 132 S HN 0.921 nan 8.310 nan 0.000 0.498 133 G N 2.420 111.211 108.800 -0.015 0.000 2.205 133 G HA2 -0.331 3.628 3.960 -0.002 0.000 0.261 133 G HA3 -0.331 3.628 3.960 -0.002 0.000 0.261 133 G C 0.092 174.990 174.900 -0.002 0.000 0.980 133 G CA 0.441 45.535 45.100 -0.009 0.000 0.632 133 G HN 1.538 nan 8.290 nan 0.000 0.533 134 Q N 0.219 120.018 119.800 -0.001 0.000 2.286 134 Q HA 0.364 4.703 4.340 -0.002 0.000 0.290 134 Q C 0.694 176.700 176.000 0.010 0.000 1.049 134 Q CA 0.705 56.511 55.803 0.005 0.000 0.923 134 Q CB -0.171 28.571 28.738 0.007 0.000 1.183 134 Q HN 0.540 nan 8.270 nan 0.000 0.383 135 N N 1.402 120.109 118.700 0.012 0.000 2.708 135 N HA -0.191 4.548 4.740 -0.002 0.000 0.249 135 N C -1.291 174.228 175.510 0.014 0.000 1.097 135 N CA 1.017 54.075 53.050 0.014 0.000 0.710 135 N CB -1.137 37.361 38.487 0.018 0.000 1.032 135 N HN 0.596 nan 8.380 nan 0.000 0.551 136 I N 0.789 121.367 120.570 0.012 0.000 2.362 136 I HA 0.255 4.424 4.170 -0.002 0.000 0.289 136 I C 0.370 176.495 176.117 0.013 0.000 0.994 136 I CA -0.673 60.635 61.300 0.014 0.000 1.158 136 I CB 1.190 39.197 38.000 0.010 0.000 1.315 136 I HN -0.023 nan 8.210 nan 0.000 0.451 137 R N 6.714 127.225 120.500 0.018 0.000 2.308 137 R HA 0.481 4.820 4.340 -0.002 0.000 0.305 137 R C -0.418 175.895 176.300 0.022 0.000 1.053 137 R CA -0.727 55.383 56.100 0.018 0.000 0.957 137 R CB 1.224 31.536 30.300 0.020 0.000 1.022 137 R HN 0.513 nan 8.270 nan 0.000 0.461 138 R N 2.174 122.684 120.500 0.015 0.000 2.536 138 R HA 0.212 4.551 4.340 -0.002 0.000 0.279 138 R C 0.095 176.404 176.300 0.016 0.000 1.001 138 R CA -1.084 55.026 56.100 0.018 0.000 1.027 138 R CB 1.160 31.465 30.300 0.008 0.000 1.096 138 R HN 0.592 nan 8.270 nan 0.000 0.502 139 R N -0.174 120.341 120.500 0.025 0.000 2.538 139 R HA 0.118 4.457 4.340 -0.002 0.000 0.282 139 R C 0.787 177.077 176.300 -0.017 0.000 1.009 139 R CA 1.123 57.225 56.100 0.004 0.000 1.063 139 R CB -0.104 30.203 30.300 0.010 0.000 0.945 139 R HN 0.871 nan 8.270 nan 0.000 0.414 140 G N 2.130 110.910 108.800 -0.034 0.000 2.212 140 G HA2 -0.449 3.510 3.960 -0.002 0.000 0.266 140 G HA3 -0.449 3.510 3.960 -0.002 0.000 0.266 140 G C 0.842 175.724 174.900 -0.030 0.000 0.978 140 G CA 0.619 45.696 45.100 -0.038 0.000 0.632 140 G HN 0.916 nan 8.290 nan 0.000 0.537 141 E N 0.181 120.368 120.200 -0.020 0.000 2.204 141 E HA -0.151 4.198 4.350 -0.002 0.000 0.195 141 E C 1.468 178.055 176.600 -0.022 0.000 0.990 141 E CA 1.565 57.954 56.400 -0.017 0.000 0.821 141 E CB -0.178 29.517 29.700 -0.008 0.000 0.750 141 E HN 0.465 nan 8.360 nan 0.000 0.477 142 D N 0.325 120.710 120.400 -0.025 0.000 2.259 142 D HA 0.212 4.851 4.640 -0.002 0.000 0.216 142 D C 0.608 176.879 176.300 -0.047 0.000 0.961 142 D CA 0.652 54.634 54.000 -0.030 0.000 0.878 142 D CB 0.723 41.510 40.800 -0.022 0.000 1.009 142 D HN 0.226 nan 8.370 nan 0.000 0.490 143 I N 0.549 121.089 120.570 -0.051 0.000 2.571 143 I HA 0.134 4.303 4.170 -0.002 0.000 0.289 143 I C -0.598 175.484 176.117 -0.058 0.000 1.115 143 I CA -0.793 60.468 61.300 -0.065 0.000 1.045 143 I CB 2.359 40.315 38.000 -0.074 0.000 1.238 143 I HN -0.227 nan 8.210 nan 0.000 0.424 144 S N 4.194 119.861 115.700 -0.056 0.000 2.541 144 S HA 0.805 5.274 4.470 -0.002 0.000 0.283 144 S C 0.194 174.764 174.600 -0.051 0.000 1.196 144 S CA -0.755 57.415 58.200 -0.050 0.000 1.062 144 S CB 1.814 64.990 63.200 -0.041 0.000 1.009 144 S HN 0.774 nan 8.310 nan 0.000 0.502 145 A N 1.891 124.681 122.820 -0.049 0.000 2.507 145 A HA 0.517 4.836 4.320 -0.002 0.000 0.235 145 A C 1.592 179.154 177.584 -0.037 0.000 1.070 145 A CA 0.094 52.104 52.037 -0.045 0.000 0.768 145 A CB -1.335 17.638 19.000 -0.045 0.000 1.011 145 A HN 2.474 nan 8.150 nan 0.000 0.502 146 G N -0.212 108.568 108.800 -0.033 0.000 2.186 146 G HA2 0.087 4.046 3.960 -0.002 0.000 0.266 146 G HA3 0.087 4.046 3.960 -0.002 0.000 0.266 146 G C 0.615 175.496 174.900 -0.032 0.000 0.982 146 G CA 0.975 46.059 45.100 -0.028 0.000 0.670 146 G HN 2.146 nan 8.290 nan 0.000 0.533 147 A N -0.899 121.896 122.820 -0.043 0.000 2.271 147 A HA 0.751 5.070 4.320 -0.002 0.000 0.288 147 A C 0.473 178.021 177.584 -0.060 0.000 1.094 147 A CA 0.097 52.103 52.037 -0.052 0.000 0.828 147 A CB 1.195 20.157 19.000 -0.063 0.000 1.091 147 A HN 1.055 nan 8.150 nan 0.000 0.493 148 V N 2.017 121.892 119.914 -0.064 0.000 2.406 148 V HA 0.189 4.308 4.120 -0.002 0.000 0.272 148 V C 0.908 176.918 176.094 -0.141 0.000 1.043 148 V CA -0.102 62.155 62.300 -0.071 0.000 0.915 148 V CB 1.002 32.798 31.823 -0.045 0.000 0.988 148 V HN 0.693 nan 8.190 nan 0.000 0.466 149 V N 4.407 124.202 119.914 -0.199 0.000 2.795 149 V HA 0.271 4.390 4.120 -0.002 0.000 0.243 149 V C 0.153 175.764 176.094 -0.805 0.000 1.069 149 V CA 0.999 63.020 62.300 -0.465 0.000 1.089 149 V CB -0.164 31.402 31.823 -0.428 0.000 0.756 149 V HN 0.683 nan 8.190 nan 0.000 0.471 150 F N 1.132 121.072 119.950 -0.017 0.000 2.573 150 F HA 0.542 5.069 4.527 -0.001 0.000 0.316 150 F C -2.664 173.125 175.800 -0.018 0.000 1.148 150 F CA -2.245 55.743 58.000 -0.019 0.000 0.940 150 F CB 2.126 41.111 39.000 -0.024 0.000 1.214 150 F HN -0.126 nan 8.300 nan 0.000 0.448 151 P HA 0.255 nan 4.420 nan 0.000 0.274 151 P C -0.670 176.674 177.300 0.072 0.000 1.256 151 P CA -0.338 62.810 63.100 0.080 0.000 0.795 151 P CB 0.821 32.553 31.700 0.055 0.000 1.038 152 A N 0.106 122.951 122.820 0.042 0.000 2.407 152 A HA 0.476 4.795 4.320 -0.002 0.000 0.248 152 A C 1.371 178.966 177.584 0.018 0.000 1.082 152 A CA 0.559 52.612 52.037 0.027 0.000 0.785 152 A CB -1.319 17.692 19.000 0.020 0.000 1.020 152 A HN 0.877 nan 8.150 nan 0.000 0.489 153 G N 0.915 109.718 108.800 0.005 0.000 2.176 153 G HA2 -0.202 3.757 3.960 -0.002 0.000 0.253 153 G HA3 -0.202 3.757 3.960 -0.002 0.000 0.253 153 G C 0.438 175.328 174.900 -0.016 0.000 0.979 153 G CA 0.485 45.583 45.100 -0.005 0.000 0.641 153 G HN 1.166 nan 8.290 nan 0.000 0.530 154 T N 0.949 115.494 114.554 -0.015 0.000 2.870 154 T HA 0.424 4.773 4.350 -0.002 0.000 0.300 154 T C 0.650 175.294 174.700 -0.093 0.000 0.989 154 T CA -0.023 62.053 62.100 -0.040 0.000 1.139 154 T CB 1.206 70.064 68.868 -0.018 0.000 0.920 154 T HN 0.486 nan 8.240 nan 0.000 0.537 155 R N 3.294 123.725 120.500 -0.115 0.000 2.265 155 R HA 0.339 4.678 4.340 -0.002 0.000 0.314 155 R C -0.496 175.653 176.300 -0.252 0.000 1.053 155 R CA -0.489 55.514 56.100 -0.161 0.000 0.931 155 R CB 0.198 30.413 30.300 -0.141 0.000 1.024 155 R HN 0.567 nan 8.270 nan 0.000 0.457 156 L N 4.977 126.020 121.223 -0.299 0.000 2.276 156 L HA 0.393 4.732 4.340 -0.002 0.000 0.286 156 L C 0.595 177.112 176.870 -0.587 0.000 1.061 156 L CA -0.496 54.114 54.840 -0.384 0.000 0.807 156 L CB 1.285 43.167 42.059 -0.296 0.000 1.177 156 L HN 0.838 nan 8.230 nan 0.000 0.429 157 T N -2.550 111.678 114.554 -0.544 0.000 2.645 157 T HA 0.226 4.575 4.350 -0.002 0.000 0.273 157 T C 0.975 175.527 174.700 -0.246 0.000 0.960 157 T CA -0.294 61.405 62.100 -0.669 0.000 1.051 157 T CB 1.150 69.763 68.868 -0.425 0.000 1.366 157 T HN 0.461 nan 8.240 nan 0.000 0.536 158 T N 0.617 115.171 114.554 0.000 0.000 3.025 158 T HA 0.089 4.438 4.350 -0.002 0.000 0.270 158 T C 2.179 176.880 174.700 0.002 0.000 1.126 158 T CA 0.935 63.071 62.100 0.060 0.000 1.105 158 T CB -0.774 68.167 68.868 0.122 0.000 0.884 158 T HN 0.763 nan 8.240 nan 0.000 0.522 159 A N 2.074 124.868 122.820 -0.044 0.000 1.845 159 A HA -0.105 4.214 4.320 -0.002 0.000 0.215 159 A C 2.287 179.839 177.584 -0.053 0.000 1.195 159 A CA 1.474 53.492 52.037 -0.031 0.000 0.616 159 A CB -0.388 18.587 19.000 -0.042 0.000 0.832 159 A HN 0.425 nan 8.150 nan 0.000 0.443 160 E N -0.250 119.813 120.200 -0.228 0.000 2.099 160 E HA 0.141 4.490 4.350 -0.002 0.000 0.191 160 E C 1.983 178.443 176.600 -0.235 0.000 0.962 160 E CA 0.419 56.532 56.400 -0.477 0.000 0.826 160 E CB -0.330 28.703 29.700 -1.112 0.000 0.788 160 E HN 0.514 nan 8.360 nan 0.000 0.461 161 L N 1.027 122.140 121.223 -0.183 0.000 2.012 161 L HA -0.142 4.197 4.340 -0.002 0.000 0.210 161 L C -0.687 176.180 176.870 -0.004 0.000 1.073 161 L CA 1.460 56.250 54.840 -0.083 0.000 0.748 161 L CB -1.344 40.682 42.059 -0.056 0.000 0.891 161 L HN 0.172 nan 8.230 nan 0.000 0.431 162 P HA -0.133 nan 4.420 nan 0.000 0.216 162 P C 1.950 179.288 177.300 0.063 0.000 1.150 162 P CA 1.078 64.202 63.100 0.040 0.000 0.837 162 P CB 0.043 31.768 31.700 0.042 0.000 0.786 163 V N -0.346 119.628 119.914 0.099 0.000 2.392 163 V HA -0.229 3.890 4.120 -0.002 0.000 0.249 163 V C 2.316 178.501 176.094 0.151 0.000 1.059 163 V CA 1.583 63.974 62.300 0.151 0.000 1.051 163 V CB -0.996 30.999 31.823 0.286 0.000 0.658 163 V HN 0.076 nan 8.190 nan 0.000 0.455 164 I N 0.180 120.843 120.570 0.155 0.000 2.315 164 I HA -0.188 3.981 4.170 -0.002 0.000 0.248 164 I C 2.643 178.800 176.117 0.066 0.000 1.117 164 I CA 1.236 62.607 61.300 0.118 0.000 1.404 164 I CB -0.601 37.454 38.000 0.092 0.000 1.071 164 I HN 0.293 nan 8.210 nan 0.000 0.419 165 A N 0.928 123.780 122.820 0.053 0.000 1.940 165 A HA -0.256 4.063 4.320 -0.002 0.000 0.219 165 A C 2.448 180.054 177.584 0.037 0.000 1.176 165 A CA 2.238 54.299 52.037 0.039 0.000 0.631 165 A CB -0.817 18.205 19.000 0.035 0.000 0.814 165 A HN 0.544 nan 8.150 nan 0.000 0.446 166 S N -0.567 115.159 115.700 0.043 0.000 2.507 166 S HA 0.070 4.539 4.470 -0.002 0.000 0.235 166 S C 1.162 175.775 174.600 0.021 0.000 0.988 166 S CA 1.034 59.254 58.200 0.033 0.000 0.944 166 S CB -0.457 62.764 63.200 0.036 0.000 0.762 166 S HN 0.458 nan 8.310 nan 0.000 0.526 167 L N 0.771 122.009 121.223 0.026 0.000 2.818 167 L HA 0.436 4.775 4.340 -0.002 0.000 0.243 167 L C 1.695 178.572 176.870 0.012 0.000 1.185 167 L CA 0.080 54.927 54.840 0.012 0.000 0.988 167 L CB -0.541 41.528 42.059 0.017 0.000 1.292 167 L HN 0.481 nan 8.230 nan 0.000 0.519 168 G N 1.133 109.943 108.800 0.016 0.000 2.205 168 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.269 168 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.269 168 G C 0.400 175.310 174.900 0.017 0.000 0.977 168 G CA 0.111 45.220 45.100 0.015 0.000 0.652 168 G HN 0.396 nan 8.290 nan 0.000 0.539 169 I N 1.303 121.886 120.570 0.022 0.000 2.347 169 I HA 0.347 4.516 4.170 -0.002 0.000 0.294 169 I C 1.667 177.798 176.117 0.022 0.000 1.090 169 I CA 0.269 61.583 61.300 0.023 0.000 1.314 169 I CB 1.063 39.081 38.000 0.030 0.000 1.423 169 I HN 0.171 nan 8.210 nan 0.000 0.503 170 A N 6.451 129.282 122.820 0.018 0.000 2.206 170 A HA 0.025 4.344 4.320 -0.002 0.000 0.211 170 A C 0.630 178.223 177.584 0.016 0.000 1.158 170 A CA 0.617 52.664 52.037 0.017 0.000 0.761 170 A CB -0.171 18.838 19.000 0.015 0.000 0.801 170 A HN 0.836 nan 8.150 nan 0.000 0.473 171 E N -1.491 118.718 120.200 0.015 0.000 2.388 171 E HA 0.531 4.880 4.350 -0.002 0.000 0.280 171 E C -1.115 175.493 176.600 0.013 0.000 1.019 171 E CA -0.802 55.606 56.400 0.013 0.000 0.806 171 E CB 1.460 31.167 29.700 0.012 0.000 1.246 171 E HN 0.410 nan 8.360 nan 0.000 0.443 172 V N -2.479 117.441 119.914 0.010 0.000 3.049 172 V HA 0.744 4.863 4.120 -0.002 0.000 0.309 172 V C -2.911 173.187 176.094 0.006 0.000 1.148 172 V CA -2.404 59.902 62.300 0.010 0.000 0.990 172 V CB 1.843 33.672 31.823 0.009 0.000 1.039 172 V HN 0.704 nan 8.190 nan 0.000 0.430 173 P HA 0.537 nan 4.420 nan 0.000 0.285 173 P C -0.642 176.659 177.300 0.001 0.000 1.259 173 P CA -0.200 62.903 63.100 0.006 0.000 0.794 173 P CB 1.671 33.376 31.700 0.008 0.000 0.940 174 V N 1.156 121.070 119.914 -0.000 0.000 3.102 174 V HA 0.558 4.677 4.120 -0.002 0.000 0.312 174 V C 0.058 176.152 176.094 0.000 0.000 1.135 174 V CA -1.389 60.908 62.300 -0.005 0.000 1.022 174 V CB 1.584 33.401 31.823 -0.010 0.000 1.056 174 V HN 0.308 nan 8.190 nan 0.000 0.436 175 I N 2.418 122.988 120.570 -0.001 0.000 2.696 175 I HA 0.369 4.538 4.170 -0.002 0.000 0.284 175 I C 1.067 177.188 176.117 0.007 0.000 1.129 175 I CA -0.300 61.003 61.300 0.005 0.000 1.410 175 I CB 0.823 38.826 38.000 0.005 0.000 1.399 175 I HN 0.897 nan 8.210 nan 0.000 0.579 176 R N 4.985 125.491 120.500 0.011 0.000 2.641 176 R HA 0.278 4.617 4.340 -0.002 0.000 0.269 176 R C -0.572 175.736 176.300 0.013 0.000 1.074 176 R CA -0.645 55.462 56.100 0.012 0.000 1.133 176 R CB 0.393 30.701 30.300 0.013 0.000 1.029 176 R HN 0.393 nan 8.270 nan 0.000 0.488 177 K N 1.111 121.519 120.400 0.013 0.000 2.414 177 K HA 0.057 4.376 4.320 -0.002 0.000 0.272 177 K C -0.358 176.252 176.600 0.017 0.000 0.993 177 K CA -0.319 55.977 56.287 0.014 0.000 0.964 177 K CB 0.848 33.356 32.500 0.013 0.000 0.925 177 K HN 0.293 nan 8.250 nan 0.000 0.487 178 V N 4.031 123.957 119.914 0.020 0.000 2.614 178 V HA 0.083 4.202 4.120 -0.002 0.000 0.291 178 V C 0.439 176.547 176.094 0.024 0.000 1.049 178 V CA -0.145 62.173 62.300 0.030 0.000 1.038 178 V CB 0.721 32.566 31.823 0.035 0.000 0.980 178 V HN 0.670 nan 8.190 nan 0.000 0.481 179 R N 3.490 124.007 120.500 0.028 0.000 2.428 179 R HA 0.738 5.077 4.340 -0.002 0.000 0.294 179 R C -1.372 174.942 176.300 0.024 0.000 1.000 179 R CA -0.683 55.428 56.100 0.018 0.000 0.960 179 R CB 1.706 32.016 30.300 0.017 0.000 1.076 179 R HN 0.470 nan 8.270 nan 0.000 0.475 180 V N 1.979 121.895 119.914 0.003 0.000 2.447 180 V HA 0.408 4.527 4.120 -0.002 0.000 0.292 180 V C -0.143 175.936 176.094 -0.025 0.000 1.021 180 V CA -0.959 61.341 62.300 0.001 0.000 0.850 180 V CB 1.550 33.369 31.823 -0.006 0.000 1.005 180 V HN 0.961 nan 8.190 nan 0.000 0.426 181 A N 5.588 128.410 122.820 0.002 0.000 2.340 181 A HA 0.850 5.169 4.320 -0.002 0.000 0.268 181 A C -0.657 176.900 177.584 -0.046 0.000 1.100 181 A CA -0.299 51.745 52.037 0.011 0.000 0.803 181 A CB 0.813 19.861 19.000 0.080 0.000 1.043 181 A HN 0.840 nan 8.150 nan 0.000 0.488 182 L N 2.463 123.667 121.223 -0.032 0.000 2.431 182 L HA 0.813 5.152 4.340 -0.002 0.000 0.266 182 L C -1.444 175.434 176.870 0.014 0.000 0.978 182 L CA -0.676 54.090 54.840 -0.123 0.000 0.822 182 L CB 1.750 43.740 42.059 -0.115 0.000 1.310 182 L HN 0.934 nan 8.230 nan 0.000 0.409 183 F N 1.171 121.082 119.950 -0.064 0.000 2.789 183 F HA 0.835 5.361 4.527 -0.002 0.000 0.319 183 F C -0.793 174.987 175.800 -0.033 0.000 1.168 183 F CA -0.705 57.263 58.000 -0.053 0.000 0.934 183 F CB 1.417 40.364 39.000 -0.088 0.000 1.375 183 F HN 0.386 nan 8.300 nan 0.000 0.480 184 S N -0.663 115.215 115.700 0.297 0.000 2.685 184 S HA 0.878 5.347 4.470 -0.002 0.000 0.282 184 S C -1.224 173.521 174.600 0.242 0.000 1.159 184 S CA -0.528 57.793 58.200 0.202 0.000 0.833 184 S CB 1.852 65.115 63.200 0.104 0.000 1.151 184 S HN 1.149 nan 8.310 nan 0.000 0.485 185 T N -1.007 113.654 114.554 0.178 0.000 2.853 185 T HA 0.751 5.100 4.350 -0.002 0.000 0.311 185 T C -0.903 173.868 174.700 0.117 0.000 1.307 185 T CA 0.380 62.569 62.100 0.148 0.000 1.019 185 T CB 1.236 70.205 68.868 0.168 0.000 1.264 185 T HN 2.298 nan 8.240 nan 0.000 0.497 186 G N 2.642 111.507 108.800 0.108 0.000 2.677 186 G HA2 0.187 4.146 3.960 -0.002 0.000 0.321 186 G HA3 0.187 4.146 3.960 -0.002 0.000 0.321 186 G C 0.065 175.009 174.900 0.073 0.000 1.449 186 G CA 0.341 45.496 45.100 0.092 0.000 1.064 186 G HN 0.816 nan 8.290 nan 0.000 0.627 187 D N 1.239 121.680 120.400 0.068 0.000 2.218 187 D HA -0.151 4.488 4.640 -0.002 0.000 0.204 187 D C 1.838 178.158 176.300 0.034 0.000 0.976 187 D CA 1.739 55.768 54.000 0.048 0.000 0.853 187 D CB -0.177 40.648 40.800 0.041 0.000 0.939 187 D HN 0.813 nan 8.370 nan 0.000 0.481 188 E N 0.508 120.728 120.200 0.035 0.000 2.209 188 E HA -0.131 4.218 4.350 -0.002 0.000 0.196 188 E C 0.490 177.096 176.600 0.010 0.000 0.993 188 E CA 0.546 56.956 56.400 0.018 0.000 0.819 188 E CB -0.436 29.279 29.700 0.025 0.000 0.745 188 E HN 0.334 nan 8.360 nan 0.000 0.477 189 L N 1.606 122.848 121.223 0.033 0.000 2.331 189 L HA 0.248 4.587 4.340 -0.002 0.000 0.278 189 L C 0.205 177.103 176.870 0.047 0.000 1.106 189 L CA -0.551 54.314 54.840 0.042 0.000 0.824 189 L CB 0.870 42.967 42.059 0.063 0.000 1.142 189 L HN 0.071 nan 8.230 nan 0.000 0.443 190 Q N 2.282 122.121 119.800 0.066 0.000 2.399 190 Q HA 0.627 4.966 4.340 -0.002 0.000 0.276 190 Q C -0.746 175.396 176.000 0.237 0.000 1.098 190 Q CA -0.697 55.177 55.803 0.119 0.000 0.827 190 Q CB 2.417 31.191 28.738 0.060 0.000 1.386 190 Q HN 0.434 nan 8.270 nan 0.000 0.443 191 L N 2.935 124.269 121.223 0.185 0.000 2.454 191 L HA 0.522 4.861 4.340 -0.002 0.000 0.256 191 L C -1.816 175.124 176.870 0.117 0.000 1.136 191 L CA -1.801 53.112 54.840 0.121 0.000 0.804 191 L CB 0.574 42.665 42.059 0.054 0.000 1.181 191 L HN 0.466 nan 8.230 nan 0.000 0.469 192 P HA 0.018 nan 4.420 nan 0.000 0.271 192 P C 0.650 177.874 177.300 -0.127 0.000 1.233 192 P CA 0.549 63.444 63.100 -0.343 0.000 0.789 192 P CB 0.714 32.228 31.700 -0.310 0.000 0.951 193 G N -0.469 108.252 108.800 -0.131 0.000 2.412 193 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.252 193 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.252 193 G C 0.327 175.260 174.900 0.055 0.000 1.038 193 G CA 0.189 45.274 45.100 -0.026 0.000 0.628 193 G HN 0.641 nan 8.290 nan 0.000 0.531 194 Q N 1.394 121.260 119.800 0.110 0.000 2.382 194 Q HA 0.507 4.846 4.340 -0.002 0.000 0.229 194 Q C -2.355 173.773 176.000 0.213 0.000 1.006 194 Q CA -1.444 54.442 55.803 0.139 0.000 0.916 194 Q CB 0.624 29.445 28.738 0.138 0.000 1.235 194 Q HN 0.442 nan 8.270 nan 0.000 0.512 195 P HA 0.210 nan 4.420 nan 0.000 0.300 195 P C -0.745 176.547 177.300 -0.014 0.000 1.326 195 P CA -0.812 62.338 63.100 0.085 0.000 0.844 195 P CB 0.771 32.499 31.700 0.046 0.000 0.992 196 L N 3.307 124.454 121.223 -0.127 0.000 2.597 196 L HA 0.157 4.496 4.340 -0.002 0.000 0.271 196 L C 1.680 178.485 176.870 -0.109 0.000 1.157 196 L CA 0.834 55.533 54.840 -0.235 0.000 0.928 196 L CB -1.047 40.820 42.059 -0.321 0.000 1.216 196 L HN 0.596 nan 8.230 nan 0.000 0.481 197 G N 3.085 111.835 108.800 -0.084 0.000 2.913 197 G HA2 -0.051 3.908 3.960 -0.002 0.000 0.145 197 G HA3 -0.051 3.908 3.960 -0.002 0.000 0.145 197 G C 0.627 175.500 174.900 -0.046 0.000 1.801 197 G CA 0.210 45.282 45.100 -0.048 0.000 1.033 197 G HN 0.569 nan 8.290 nan 0.000 0.495 198 D N -0.407 119.974 120.400 -0.031 0.000 1.761 198 D HA 0.057 4.696 4.640 -0.002 0.000 0.299 198 D C 2.446 178.728 176.300 -0.030 0.000 1.042 198 D CA 1.215 55.201 54.000 -0.024 0.000 0.906 198 D CB -0.912 39.881 40.800 -0.012 0.000 1.328 198 D HN 0.301 nan 8.370 nan 0.000 0.486 199 G N -0.177 108.611 108.800 -0.020 0.000 2.990 199 G HA2 -0.064 3.895 3.960 -0.002 0.000 0.206 199 G HA3 -0.064 3.895 3.960 -0.002 0.000 0.206 199 G C 0.408 175.288 174.900 -0.034 0.000 1.169 199 G CA -0.007 45.081 45.100 -0.019 0.000 0.819 199 G HN 0.307 nan 8.290 nan 0.000 0.517 200 Q N -0.036 119.732 119.800 -0.055 0.000 2.364 200 Q HA 0.392 4.731 4.340 -0.002 0.000 0.267 200 Q C -0.084 175.831 176.000 -0.142 0.000 0.999 200 Q CA 0.187 55.941 55.803 -0.082 0.000 0.886 200 Q CB 1.187 29.870 28.738 -0.092 0.000 1.243 200 Q HN 0.537 nan 8.270 nan 0.000 0.415 201 I N -1.971 118.518 120.570 -0.135 0.000 3.042 201 I HA 0.391 4.560 4.170 -0.002 0.000 0.310 201 I C -1.283 174.748 176.117 -0.143 0.000 1.117 201 I CA -1.160 60.038 61.300 -0.171 0.000 1.003 201 I CB 1.235 39.205 38.000 -0.050 0.000 1.228 201 I HN 0.397 nan 8.210 nan 0.000 0.443 202 Y N 1.232 121.534 120.300 0.004 0.000 2.359 202 Y HA 0.259 4.809 4.550 0.001 0.000 0.334 202 Y C 0.240 176.134 175.900 -0.011 0.000 1.058 202 Y CA -0.382 57.715 58.100 -0.006 0.000 1.244 202 Y CB 0.698 39.148 38.460 -0.015 0.000 1.187 202 Y HN 0.577 nan 8.280 nan 0.000 0.510 203 D N 2.292 122.796 120.400 0.173 0.000 2.358 203 D HA 0.037 4.676 4.640 -0.002 0.000 0.258 203 D C 0.512 176.834 176.300 0.036 0.000 1.223 203 D CA 0.215 54.266 54.000 0.084 0.000 0.886 203 D CB 0.987 41.832 40.800 0.076 0.000 1.120 203 D HN 0.721 nan 8.370 nan 0.000 0.482 204 T N 0.654 115.210 114.554 0.004 0.000 2.989 204 T HA 0.038 4.387 4.350 -0.002 0.000 0.250 204 T C 1.443 176.097 174.700 -0.077 0.000 0.981 204 T CA -0.350 61.715 62.100 -0.060 0.000 0.980 204 T CB -0.126 68.681 68.868 -0.101 0.000 1.133 204 T HN 0.156 nan 8.240 nan 0.000 0.489 205 N N 2.001 120.678 118.700 -0.037 0.000 2.069 205 N HA -0.036 4.703 4.740 -0.002 0.000 0.191 205 N C 1.871 177.345 175.510 -0.061 0.000 1.031 205 N CA 1.291 54.319 53.050 -0.036 0.000 0.852 205 N CB -0.369 38.121 38.487 0.006 0.000 1.018 205 N HN 0.385 nan 8.380 nan 0.000 0.423 206 R N 0.610 121.090 120.500 -0.035 0.000 2.103 206 R HA -0.053 4.286 4.340 -0.002 0.000 0.242 206 R C 2.175 178.465 176.300 -0.018 0.000 1.142 206 R CA 0.905 56.991 56.100 -0.023 0.000 0.960 206 R CB -0.390 29.919 30.300 0.013 0.000 0.858 206 R HN 0.230 nan 8.270 nan 0.000 0.439 207 L N -0.050 121.145 121.223 -0.046 0.000 2.017 207 L HA -0.138 4.201 4.340 -0.002 0.000 0.208 207 L C 2.283 179.104 176.870 -0.082 0.000 1.073 207 L CA 1.816 56.612 54.840 -0.074 0.000 0.745 207 L CB -0.641 41.354 42.059 -0.106 0.000 0.894 207 L HN 0.356 nan 8.230 nan 0.000 0.432 208 A N -0.710 122.043 122.820 -0.111 0.000 1.902 208 A HA -0.167 4.152 4.320 -0.002 0.000 0.217 208 A C 2.218 179.677 177.584 -0.209 0.000 1.181 208 A CA 1.888 53.846 52.037 -0.131 0.000 0.623 208 A CB -0.825 18.109 19.000 -0.109 0.000 0.818 208 A HN 0.324 nan 8.150 nan 0.000 0.443 209 V N -0.450 119.312 119.914 -0.254 0.000 2.270 209 V HA -0.247 3.872 4.120 -0.002 0.000 0.245 209 V C 2.550 178.470 176.094 -0.290 0.000 1.043 209 V CA 2.179 64.205 62.300 -0.456 0.000 1.014 209 V CB -0.959 30.652 31.823 -0.353 0.000 0.645 209 V HN 0.782 nan 8.190 nan 0.000 0.447 210 H N 0.036 118.975 119.070 -0.219 0.000 2.357 210 H HA -0.192 4.364 4.556 -0.000 0.000 0.296 210 H C 2.142 177.390 175.328 -0.133 0.000 1.108 210 H CA 2.271 58.234 56.048 -0.141 0.000 1.273 210 H CB -0.256 29.447 29.762 -0.099 0.000 1.367 210 H HN 0.337 nan 8.280 nan 0.000 0.498 211 L N -0.606 120.659 121.223 0.071 0.000 2.072 211 L HA -0.143 4.196 4.340 -0.002 0.000 0.205 211 L C 3.054 179.901 176.870 -0.039 0.000 1.079 211 L CA 0.965 55.814 54.840 0.014 0.000 0.752 211 L CB -0.268 41.755 42.059 -0.060 0.000 0.906 211 L HN 0.229 nan 8.230 nan 0.000 0.436 212 M N -0.783 118.736 119.600 -0.135 0.000 2.132 212 M HA -0.214 4.265 4.480 -0.002 0.000 0.263 212 M C 2.245 178.536 176.300 -0.015 0.000 1.065 212 M CA 1.711 56.934 55.300 -0.129 0.000 1.122 212 M CB -0.234 32.199 32.600 -0.278 0.000 1.365 212 M HN 0.214 nan 8.290 nan 0.000 0.411 213 L N -0.386 120.814 121.223 -0.039 0.000 1.989 213 L HA -0.261 4.078 4.340 -0.002 0.000 0.211 213 L C 2.369 179.241 176.870 0.004 0.000 1.071 213 L CA 1.607 56.455 54.840 0.013 0.000 0.749 213 L CB -0.734 41.286 42.059 -0.064 0.000 0.890 213 L HN 0.338 nan 8.230 nan 0.000 0.431 214 E N -0.607 119.596 120.200 0.005 0.000 2.118 214 E HA -0.242 4.107 4.350 -0.002 0.000 0.195 214 E C 2.230 178.839 176.600 0.014 0.000 0.992 214 E CA 0.980 57.393 56.400 0.023 0.000 0.804 214 E CB 0.159 29.903 29.700 0.073 0.000 0.741 214 E HN 0.363 nan 8.360 nan 0.000 0.458 215 Q N -0.279 119.522 119.800 0.001 0.000 2.378 215 Q HA -0.005 4.334 4.340 -0.002 0.000 0.205 215 Q C 1.811 177.809 176.000 -0.004 0.000 0.954 215 Q CA 0.552 56.350 55.803 -0.009 0.000 0.901 215 Q CB 0.186 28.902 28.738 -0.035 0.000 0.981 215 Q HN 0.371 nan 8.270 nan 0.000 0.483 216 L N -0.717 120.507 121.223 0.001 0.000 2.599 216 L HA 0.111 4.450 4.340 -0.002 0.000 0.230 216 L C 0.997 177.872 176.870 0.009 0.000 1.141 216 L CA 0.442 55.282 54.840 -0.001 0.000 0.877 216 L CB -0.280 41.784 42.059 0.009 0.000 1.009 216 L HN 0.286 nan 8.230 nan 0.000 0.447 217 G N -0.631 108.179 108.800 0.017 0.000 2.153 217 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.252 217 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.252 217 G C 0.336 175.244 174.900 0.014 0.000 0.994 217 G CA 0.099 45.213 45.100 0.023 0.000 0.698 217 G HN 0.359 nan 8.290 nan 0.000 0.521 218 C N -0.238 119.067 119.300 0.009 0.000 2.563 218 C HA 0.577 5.036 4.460 -0.002 0.000 0.358 218 C C 1.020 176.006 174.990 -0.007 0.000 1.336 218 C CA -0.363 58.656 59.018 0.003 0.000 2.454 218 C CB 1.154 28.896 27.740 0.002 0.000 2.448 218 C HN 0.573 nan 8.230 nan 0.000 0.670 219 E N 0.417 120.610 120.200 -0.011 0.000 2.115 219 E HA 0.422 4.771 4.350 -0.002 0.000 0.282 219 E C -1.179 175.390 176.600 -0.053 0.000 0.987 219 E CA -0.182 56.206 56.400 -0.020 0.000 0.797 219 E CB 0.895 30.592 29.700 -0.005 0.000 1.086 219 E HN 0.449 nan 8.360 nan 0.000 0.397 220 V N 5.937 125.790 119.914 -0.102 0.000 2.465 220 V HA 0.245 4.364 4.120 -0.002 0.000 0.279 220 V C 0.132 176.151 176.094 -0.124 0.000 1.045 220 V CA -0.434 61.744 62.300 -0.202 0.000 0.938 220 V CB 1.136 32.641 31.823 -0.530 0.000 0.986 220 V HN 0.600 nan 8.190 nan 0.000 0.467 221 I N 4.341 124.858 120.570 -0.090 0.000 2.479 221 I HA 0.266 4.435 4.170 -0.002 0.000 0.279 221 I C 0.468 176.575 176.117 -0.016 0.000 1.102 221 I CA 0.247 61.530 61.300 -0.028 0.000 1.196 221 I CB 0.242 38.244 38.000 0.004 0.000 1.427 221 I HN 0.602 nan 8.210 nan 0.000 0.503 222 N N 4.242 122.935 118.700 -0.012 0.000 2.399 222 N HA 0.106 4.845 4.740 -0.002 0.000 0.259 222 N C 0.715 176.276 175.510 0.086 0.000 1.160 222 N CA -0.332 52.751 53.050 0.054 0.000 0.946 222 N CB 0.634 39.233 38.487 0.186 0.000 1.156 222 N HN 0.422 nan 8.380 nan 0.000 0.489 223 L N 3.288 124.577 121.223 0.111 0.000 2.591 223 L HA 0.335 4.674 4.340 -0.002 0.000 0.228 223 L C 1.337 178.253 176.870 0.077 0.000 1.133 223 L CA 0.630 55.524 54.840 0.090 0.000 0.880 223 L CB -1.169 40.950 42.059 0.100 0.000 1.033 223 L HN 0.832 nan 8.230 nan 0.000 0.450 224 G N -0.311 108.549 108.800 0.100 0.000 2.632 224 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.224 224 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.224 224 G C -0.069 174.889 174.900 0.098 0.000 1.341 224 G CA -0.332 44.816 45.100 0.080 0.000 0.880 224 G HN 0.057 nan 8.290 nan 0.000 0.566 225 I N 1.242 121.854 120.570 0.071 0.000 2.395 225 I HA 0.300 4.469 4.170 -0.002 0.000 0.289 225 I C 0.580 176.723 176.117 0.043 0.000 1.023 225 I CA -0.721 60.625 61.300 0.077 0.000 1.350 225 I CB 0.885 38.925 38.000 0.067 0.000 1.409 225 I HN 0.282 nan 8.210 nan 0.000 0.507 226 I N 5.841 126.432 120.570 0.035 0.000 2.428 226 I HA 0.306 4.475 4.170 -0.002 0.000 0.296 226 I C 0.575 176.709 176.117 0.028 0.000 0.985 226 I CA -0.604 60.681 61.300 -0.024 0.000 1.260 226 I CB 1.030 38.947 38.000 -0.138 0.000 1.389 226 I HN 0.654 nan 8.210 nan 0.000 0.484 227 R N 2.252 122.765 120.500 0.022 0.000 2.679 227 R HA 0.163 4.502 4.340 -0.002 0.000 0.269 227 R C -0.490 175.857 176.300 0.077 0.000 1.076 227 R CA -0.627 55.498 56.100 0.042 0.000 1.160 227 R CB 0.379 30.693 30.300 0.023 0.000 1.054 227 R HN 0.368 nan 8.270 nan 0.000 0.507 228 D N 0.838 121.289 120.400 0.085 0.000 2.826 228 D HA 0.055 4.694 4.640 -0.002 0.000 0.229 228 D C -1.180 175.113 176.300 -0.012 0.000 1.091 228 D CA 0.733 54.810 54.000 0.129 0.000 1.061 228 D CB -0.460 40.401 40.800 0.102 0.000 1.155 228 D HN 0.416 nan 8.370 nan 0.000 0.450 229 D N -0.689 119.705 120.400 -0.010 0.000 2.964 229 D HA 0.217 4.856 4.640 -0.002 0.000 0.234 229 D C -1.808 174.438 176.300 -0.090 0.000 1.223 229 D CA -1.782 52.138 54.000 -0.133 0.000 0.889 229 D CB 2.113 42.901 40.800 -0.021 0.000 1.609 229 D HN -0.138 nan 8.370 nan 0.000 0.523 230 P HA -0.202 nan 4.420 nan 0.000 0.215 230 P C 1.071 178.305 177.300 -0.110 0.000 1.157 230 P CA 1.352 64.384 63.100 -0.114 0.000 0.868 230 P CB 0.123 31.636 31.700 -0.311 0.000 0.788 231 H N -0.126 118.946 119.070 0.003 0.000 2.387 231 H HA 0.028 4.582 4.556 -0.002 0.000 0.299 231 H C 2.080 177.413 175.328 0.008 0.000 1.090 231 H CA 1.493 57.544 56.048 0.006 0.000 1.332 231 H CB -0.729 29.024 29.762 -0.014 0.000 1.386 231 H HN 0.132 nan 8.280 nan 0.000 0.516 232 A N 1.229 124.113 122.820 0.107 0.000 1.933 232 A HA -0.091 4.228 4.320 -0.002 0.000 0.218 232 A C 2.606 180.190 177.584 0.001 0.000 1.175 232 A CA 0.898 52.960 52.037 0.042 0.000 0.628 232 A CB -0.633 18.383 19.000 0.028 0.000 0.814 232 A HN 0.305 nan 8.150 nan 0.000 0.444 233 L N -1.511 119.746 121.223 0.056 0.000 2.084 233 L HA -0.049 4.290 4.340 -0.002 0.000 0.202 233 L C 2.755 179.705 176.870 0.133 0.000 1.074 233 L CA 0.904 55.778 54.840 0.057 0.000 0.757 233 L CB -0.440 41.749 42.059 0.218 0.000 0.918 233 L HN 0.371 nan 8.230 nan 0.000 0.444 234 R N -0.248 120.341 120.500 0.147 0.000 2.140 234 R HA -0.262 4.077 4.340 -0.002 0.000 0.250 234 R C 2.063 178.429 176.300 0.111 0.000 1.150 234 R CA 1.915 58.093 56.100 0.129 0.000 0.966 234 R CB -0.390 29.943 30.300 0.055 0.000 0.869 234 R HN 0.471 nan 8.270 nan 0.000 0.445 235 A N 0.027 122.881 122.820 0.057 0.000 2.016 235 A HA 0.052 4.371 4.320 -0.002 0.000 0.217 235 A C 2.201 179.764 177.584 -0.035 0.000 1.162 235 A CA 1.216 53.267 52.037 0.022 0.000 0.662 235 A CB -0.244 18.766 19.000 0.016 0.000 0.812 235 A HN 0.429 nan 8.150 nan 0.000 0.450 236 A N -1.021 121.718 122.820 -0.135 0.000 1.898 236 A HA 0.054 4.373 4.320 -0.002 0.000 0.216 236 A C 1.943 179.364 177.584 -0.272 0.000 1.181 236 A CA 1.235 53.060 52.037 -0.355 0.000 0.620 236 A CB -0.662 17.861 19.000 -0.796 0.000 0.819 236 A HN 0.459 nan 8.150 nan 0.000 0.442 237 F N 0.009 119.891 119.950 -0.113 0.000 2.113 237 F HA -0.103 4.423 4.527 -0.001 0.000 0.297 237 F C 2.185 178.008 175.800 0.038 0.000 1.103 237 F CA 1.522 59.552 58.000 0.050 0.000 1.248 237 F CB -0.269 38.750 39.000 0.033 0.000 0.999 237 F HN 0.110 nan 8.300 nan 0.000 0.475 238 I N 0.043 120.729 120.570 0.192 0.000 2.127 238 I HA -0.323 3.846 4.170 -0.002 0.000 0.241 238 I C 2.504 178.664 176.117 0.072 0.000 1.075 238 I CA 1.819 63.181 61.300 0.103 0.000 1.334 238 I CB -0.534 37.503 38.000 0.063 0.000 1.040 238 I HN 0.115 nan 8.210 nan 0.000 0.405 239 E N 1.808 122.034 120.200 0.044 0.000 2.049 239 E HA -0.266 4.083 4.350 -0.002 0.000 0.198 239 E C 2.043 178.673 176.600 0.050 0.000 1.007 239 E CA 2.176 58.592 56.400 0.028 0.000 0.809 239 E CB -0.370 29.328 29.700 -0.002 0.000 0.749 239 E HN 0.421 nan 8.360 nan 0.000 0.450 240 A N 0.170 123.036 122.820 0.077 0.000 1.933 240 A HA -0.178 4.141 4.320 -0.002 0.000 0.218 240 A C 2.118 179.776 177.584 0.122 0.000 1.175 240 A CA 1.903 54.013 52.037 0.122 0.000 0.628 240 A CB -0.906 18.228 19.000 0.223 0.000 0.814 240 A HN 0.483 nan 8.150 nan 0.000 0.444 241 D N -0.138 120.342 120.400 0.134 0.000 2.149 241 D HA -0.129 4.510 4.640 -0.002 0.000 0.201 241 D C 2.212 178.541 176.300 0.049 0.000 0.972 241 D CA 1.707 55.769 54.000 0.104 0.000 0.835 241 D CB -0.032 40.831 40.800 0.105 0.000 0.966 241 D HN 0.459 nan 8.370 nan 0.000 0.476 242 S N -0.820 114.905 115.700 0.042 0.000 2.447 242 S HA -0.132 4.337 4.470 -0.002 0.000 0.233 242 S C 1.601 176.212 174.600 0.019 0.000 1.006 242 S CA 0.695 58.907 58.200 0.021 0.000 0.957 242 S CB -0.231 62.980 63.200 0.018 0.000 0.773 242 S HN 0.342 nan 8.310 nan 0.000 0.507 243 Q N 0.415 120.233 119.800 0.030 0.000 2.280 243 Q HA 0.505 4.844 4.340 -0.002 0.000 0.228 243 Q C 0.534 176.551 176.000 0.028 0.000 0.857 243 Q CA 0.410 56.228 55.803 0.025 0.000 0.939 243 Q CB 0.641 29.395 28.738 0.026 0.000 1.114 243 Q HN 0.636 nan 8.270 nan 0.000 0.514 244 A N 0.897 123.739 122.820 0.038 0.000 2.311 244 A HA 0.402 4.721 4.320 -0.002 0.000 0.334 244 A C -0.458 177.148 177.584 0.038 0.000 1.139 244 A CA -0.474 51.589 52.037 0.043 0.000 0.830 244 A CB 0.911 19.948 19.000 0.062 0.000 1.234 244 A HN -0.035 nan 8.150 nan 0.000 0.483 245 D N -0.832 119.599 120.400 0.051 0.000 2.271 245 D HA 0.239 4.878 4.640 -0.002 0.000 0.206 245 D C -0.160 176.212 176.300 0.119 0.000 0.967 245 D CA 1.034 55.074 54.000 0.066 0.000 0.867 245 D CB 0.342 41.198 40.800 0.093 0.000 0.960 245 D HN 0.222 nan 8.370 nan 0.000 0.509 246 V N 0.876 120.864 119.914 0.123 0.000 2.733 246 V HA 0.381 4.500 4.120 -0.002 0.000 0.306 246 V C -0.751 175.402 176.094 0.099 0.000 1.084 246 V CA -0.994 61.401 62.300 0.158 0.000 0.905 246 V CB 2.673 34.593 31.823 0.161 0.000 1.010 246 V HN -0.258 nan 8.190 nan 0.000 0.424 247 V N 5.632 125.611 119.914 0.110 0.000 2.409 247 V HA 0.543 4.662 4.120 -0.002 0.000 0.291 247 V C -0.318 175.711 176.094 -0.108 0.000 1.020 247 V CA -0.325 62.018 62.300 0.072 0.000 0.848 247 V CB 1.721 33.704 31.823 0.266 0.000 0.990 247 V HN 0.691 nan 8.190 nan 0.000 0.430 248 I N 3.621 124.042 120.570 -0.248 0.000 2.404 248 I HA 0.407 4.576 4.170 -0.002 0.000 0.293 248 I C 0.235 175.996 176.117 -0.593 0.000 0.992 248 I CA -0.278 60.792 61.300 -0.383 0.000 1.149 248 I CB 2.097 39.974 38.000 -0.206 0.000 1.315 248 I HN 0.607 nan 8.210 nan 0.000 0.446 249 S N 3.527 118.888 115.700 -0.565 0.000 2.438 249 S HA 0.186 4.655 4.470 -0.002 0.000 0.293 249 S C 0.934 175.404 174.600 -0.217 0.000 1.141 249 S CA -0.588 57.346 58.200 -0.444 0.000 1.080 249 S CB 0.948 64.100 63.200 -0.080 0.000 0.978 249 S HN 0.717 nan 8.310 nan 0.000 0.479 250 S N 3.257 118.860 115.700 -0.162 0.000 2.593 250 S HA 0.502 4.971 4.470 -0.002 0.000 0.217 250 S C 0.914 175.517 174.600 0.006 0.000 0.966 250 S CA 0.003 58.164 58.200 -0.065 0.000 0.914 250 S CB -0.483 62.675 63.200 -0.069 0.000 0.776 250 S HN 1.571 nan 8.310 nan 0.000 0.523 251 G N -1.689 107.127 108.800 0.026 0.000 2.318 251 G HA2 0.515 4.474 3.960 -0.002 0.000 0.302 251 G HA3 0.515 4.474 3.960 -0.002 0.000 0.302 251 G C 0.143 175.099 174.900 0.093 0.000 1.633 251 G CA -0.219 44.924 45.100 0.071 0.000 0.965 251 G HN 1.266 nan 8.290 nan 0.000 0.698 252 G N -1.313 107.549 108.800 0.102 0.000 2.792 252 G HA2 0.023 3.982 3.960 -0.002 0.000 0.201 252 G HA3 0.023 3.982 3.960 -0.002 0.000 0.201 252 G C 0.579 175.541 174.900 0.104 0.000 1.322 252 G CA 0.618 45.782 45.100 0.107 0.000 0.910 252 G HN 1.953 nan 8.290 nan 0.000 0.535 253 V N 2.832 122.841 119.914 0.160 0.000 2.585 253 V HA 0.494 4.613 4.120 -0.002 0.000 0.296 253 V C 1.493 177.677 176.094 0.151 0.000 1.035 253 V CA 0.554 62.963 62.300 0.182 0.000 1.084 253 V CB 1.273 33.319 31.823 0.372 0.000 0.953 253 V HN 1.108 nan 8.190 nan 0.000 0.483 254 S N 3.774 119.516 115.700 0.070 0.000 2.643 254 S HA -0.012 4.457 4.470 -0.002 0.000 0.310 254 S C 0.639 175.334 174.600 0.158 0.000 1.253 254 S CA 0.232 58.460 58.200 0.046 0.000 1.047 254 S CB 0.461 63.622 63.200 -0.065 0.000 0.767 254 S HN 1.298 nan 8.310 nan 0.000 0.498 255 V N 2.516 122.511 119.914 0.134 0.000 3.085 255 V HA 0.719 4.838 4.120 -0.002 0.000 0.345 255 V C 1.185 177.381 176.094 0.170 0.000 1.397 255 V CA 0.424 62.858 62.300 0.224 0.000 1.165 255 V CB -0.519 31.419 31.823 0.193 0.000 1.153 255 V HN 1.204 nan 8.190 nan 0.000 0.495 256 G N 0.170 108.914 108.800 -0.093 0.000 4.077 256 G HA2 -0.122 3.837 3.960 -0.002 0.000 0.199 256 G HA3 -0.122 3.837 3.960 -0.002 0.000 0.199 256 G C -0.076 174.653 174.900 -0.285 0.000 1.302 256 G CA -0.186 44.745 45.100 -0.282 0.000 0.918 256 G HN 0.433 nan 8.290 nan 0.000 0.369 257 E N 1.737 121.858 120.200 -0.132 0.000 2.568 257 E HA 0.494 4.843 4.350 -0.002 0.000 0.262 257 E C 0.738 177.251 176.600 -0.145 0.000 0.961 257 E CA 0.900 57.240 56.400 -0.100 0.000 0.945 257 E CB 0.924 30.599 29.700 -0.040 0.000 0.924 257 E HN 0.809 nan 8.360 nan 0.000 0.467 258 A N 4.063 126.813 122.820 -0.116 0.000 2.401 258 A HA 0.494 4.813 4.320 -0.002 0.000 0.259 258 A C -0.311 177.231 177.584 -0.070 0.000 1.103 258 A CA 0.220 52.191 52.037 -0.111 0.000 0.789 258 A CB 0.109 19.061 19.000 -0.079 0.000 1.035 258 A HN 0.711 nan 8.150 nan 0.000 0.491 259 D N -0.457 119.900 120.400 -0.072 0.000 2.972 259 D HA 0.007 4.646 4.640 -0.002 0.000 0.294 259 D C 0.168 176.445 176.300 -0.039 0.000 1.211 259 D CA 0.053 54.037 54.000 -0.027 0.000 0.732 259 D CB -0.495 40.284 40.800 -0.035 0.000 1.257 259 D HN 0.563 nan 8.370 nan 0.000 0.435 260 Y N -0.517 119.771 120.300 -0.020 0.000 2.151 260 Y HA -0.155 4.393 4.550 -0.002 0.000 0.284 260 Y C 2.330 178.219 175.900 -0.018 0.000 1.166 260 Y CA 2.699 60.783 58.100 -0.026 0.000 1.163 260 Y CB -1.683 36.760 38.460 -0.027 0.000 0.974 260 Y HN 0.550 nan 8.280 nan 0.000 0.511 261 T N -1.252 112.784 114.554 -0.863 0.000 2.759 261 T HA -0.287 4.062 4.350 -0.002 0.000 0.269 261 T C 1.839 176.412 174.700 -0.212 0.000 1.042 261 T CA 1.835 63.626 62.100 -0.515 0.000 1.140 261 T CB -0.563 68.024 68.868 -0.468 0.000 0.864 261 T HN 0.560 nan 8.240 nan 0.000 0.455 262 K N 0.795 121.085 120.400 -0.184 0.000 2.057 262 K HA -0.142 4.177 4.320 -0.002 0.000 0.207 262 K C 2.644 179.186 176.600 -0.097 0.000 1.049 262 K CA 1.832 58.037 56.287 -0.137 0.000 0.931 262 K CB -0.593 31.783 32.500 -0.206 0.000 0.714 262 K HN 0.549 nan 8.250 nan 0.000 0.440 263 T N -0.393 114.112 114.554 -0.083 0.000 2.995 263 T HA -0.041 4.308 4.350 -0.002 0.000 0.269 263 T C 1.854 176.504 174.700 -0.082 0.000 1.091 263 T CA 0.795 62.861 62.100 -0.058 0.000 1.128 263 T CB -0.178 68.675 68.868 -0.025 0.000 0.891 263 T HN 0.225 nan 8.240 nan 0.000 0.492 264 I N 0.282 120.789 120.570 -0.105 0.000 2.286 264 I HA -0.034 4.135 4.170 -0.002 0.000 0.245 264 I C 2.525 178.448 176.117 -0.325 0.000 1.104 264 I CA 0.946 62.150 61.300 -0.160 0.000 1.397 264 I CB -0.287 37.653 38.000 -0.101 0.000 1.072 264 I HN 0.291 nan 8.210 nan 0.000 0.417 265 L N 0.496 121.499 121.223 -0.367 0.000 2.017 265 L HA -0.233 4.106 4.340 -0.002 0.000 0.208 265 L C 2.472 179.151 176.870 -0.319 0.000 1.073 265 L CA 1.664 56.200 54.840 -0.506 0.000 0.745 265 L CB -0.518 41.322 42.059 -0.364 0.000 0.894 265 L HN 0.262 nan 8.230 nan 0.000 0.432 266 E N -0.425 119.688 120.200 -0.145 0.000 2.160 266 E HA -0.274 4.076 4.350 -0.002 0.000 0.195 266 E C 2.040 178.567 176.600 -0.122 0.000 0.991 266 E CA 1.085 57.433 56.400 -0.087 0.000 0.810 266 E CB 0.003 29.698 29.700 -0.010 0.000 0.742 266 E HN 0.413 nan 8.360 nan 0.000 0.466 267 E N 0.294 120.410 120.200 -0.141 0.000 2.208 267 E HA -0.120 4.229 4.350 -0.002 0.000 0.193 267 E C 1.597 178.108 176.600 -0.149 0.000 0.988 267 E CA 0.591 56.917 56.400 -0.122 0.000 0.828 267 E CB 0.239 29.877 29.700 -0.104 0.000 0.763 267 E HN 0.264 nan 8.360 nan 0.000 0.478 268 L N -0.907 120.180 121.223 -0.227 0.000 2.664 268 L HA 0.364 4.703 4.340 -0.002 0.000 0.233 268 L C 0.927 177.659 176.870 -0.230 0.000 1.113 268 L CA 0.057 54.758 54.840 -0.231 0.000 0.896 268 L CB 1.040 42.902 42.059 -0.327 0.000 1.163 268 L HN -0.001 nan 8.230 nan 0.000 0.497 269 G N -0.268 108.386 108.800 -0.244 0.000 2.576 269 G HA2 0.383 4.342 3.960 -0.002 0.000 0.290 269 G HA3 0.383 4.342 3.960 -0.002 0.000 0.290 269 G C -1.544 173.233 174.900 -0.205 0.000 1.442 269 G CA -0.540 44.423 45.100 -0.227 0.000 0.792 269 G HN -0.120 nan 8.290 nan 0.000 0.491 270 E N 0.723 120.817 120.200 -0.176 0.000 1.993 270 E HA 0.434 4.783 4.350 -0.002 0.000 0.271 270 E C -0.756 175.717 176.600 -0.212 0.000 1.008 270 E CA -0.320 55.990 56.400 -0.150 0.000 0.814 270 E CB 1.595 31.245 29.700 -0.084 0.000 1.098 270 E HN 0.294 nan 8.360 nan 0.000 0.407 271 I N 1.798 122.173 120.570 -0.324 0.000 2.418 271 I HA 0.304 4.473 4.170 -0.002 0.000 0.287 271 I C 0.148 175.843 176.117 -0.703 0.000 1.008 271 I CA -0.637 60.355 61.300 -0.513 0.000 1.104 271 I CB 1.896 39.529 38.000 -0.612 0.000 1.264 271 I HN 0.386 nan 8.210 nan 0.000 0.438 272 A N 6.207 128.683 122.820 -0.573 0.000 2.407 272 A HA 0.620 4.939 4.320 -0.002 0.000 0.248 272 A C -0.811 176.261 177.584 -0.853 0.000 1.082 272 A CA 0.131 51.835 52.037 -0.555 0.000 0.785 272 A CB -0.065 18.712 19.000 -0.371 0.000 1.020 272 A HN 0.524 nan 8.150 nan 0.000 0.489 273 F N 2.327 122.181 119.950 -0.160 0.000 2.359 273 F HA 0.337 4.862 4.527 -0.002 0.000 0.369 273 F C -0.252 175.626 175.800 0.131 0.000 1.084 273 F CA -0.544 57.413 58.000 -0.073 0.000 1.096 273 F CB 0.768 39.771 39.000 0.005 0.000 1.335 273 F HN 0.535 nan 8.300 nan 0.000 0.457 274 W N 2.349 123.814 121.300 0.275 0.000 2.253 274 W HA 0.504 5.163 4.660 -0.002 0.000 0.348 274 W C -0.188 176.459 176.519 0.214 0.000 1.229 274 W CA -1.486 55.996 57.345 0.230 0.000 1.335 274 W CB 0.756 30.355 29.460 0.231 0.000 1.165 274 W HN 0.196 nan 8.180 nan 0.000 0.631 275 K N 2.373 123.016 120.400 0.405 0.000 2.559 275 K HA 0.392 4.711 4.320 -0.002 0.000 0.249 275 K C -1.017 175.696 176.600 0.188 0.000 0.958 275 K CA -0.977 55.465 56.287 0.258 0.000 0.901 275 K CB 1.493 34.104 32.500 0.185 0.000 1.124 275 K HN -0.041 nan 8.250 nan 0.000 0.437 276 L N 1.711 123.044 121.223 0.183 0.000 2.343 276 L HA 0.386 4.725 4.340 -0.002 0.000 0.275 276 L C 0.472 177.388 176.870 0.077 0.000 1.056 276 L CA -0.447 54.458 54.840 0.109 0.000 0.804 276 L CB 1.358 43.484 42.059 0.111 0.000 1.203 276 L HN 0.733 nan 8.230 nan 0.000 0.440 277 A N 5.231 128.076 122.820 0.041 0.000 3.078 277 A HA 0.616 4.935 4.320 -0.002 0.000 0.279 277 A C -0.288 177.321 177.584 0.041 0.000 1.594 277 A CA -0.098 51.958 52.037 0.031 0.000 1.301 277 A CB -1.235 17.767 19.000 0.002 0.000 1.162 277 A HN 0.558 nan 8.150 nan 0.000 0.585 278 I N -2.786 117.827 120.570 0.072 0.000 3.004 278 I HA 0.667 4.836 4.170 -0.002 0.000 0.305 278 I C -0.788 175.397 176.117 0.114 0.000 1.312 278 I CA -0.939 60.430 61.300 0.115 0.000 0.992 278 I CB 2.060 40.187 38.000 0.211 0.000 1.282 278 I HN 0.077 nan 8.210 nan 0.000 0.449 279 K N 2.651 123.134 120.400 0.138 0.000 2.498 279 K HA 0.621 4.940 4.320 -0.002 0.000 0.254 279 K C -2.895 173.809 176.600 0.174 0.000 0.933 279 K CA -1.881 54.477 56.287 0.118 0.000 0.806 279 K CB 2.842 35.380 32.500 0.063 0.000 1.301 279 K HN 0.475 nan 8.250 nan 0.000 0.432 280 P HA 0.235 nan 4.420 nan 0.000 0.274 280 P C 0.037 177.408 177.300 0.118 0.000 1.237 280 P CA 0.439 63.609 63.100 0.117 0.000 0.793 280 P CB 0.967 32.739 31.700 0.120 0.000 0.977 281 G N 0.540 109.411 108.800 0.118 0.000 2.466 281 G HA2 -0.038 3.921 3.960 -0.002 0.000 0.316 281 G HA3 -0.038 3.921 3.960 -0.002 0.000 0.316 281 G C -0.229 174.742 174.900 0.120 0.000 1.270 281 G CA 0.333 45.506 45.100 0.123 0.000 0.982 281 G HN 0.726 nan 8.290 nan 0.000 0.506 282 K N -1.797 118.684 120.400 0.136 0.000 2.400 282 K HA 0.071 4.390 4.320 -0.002 0.000 0.186 282 K C -2.610 174.110 176.600 0.199 0.000 2.562 282 K CA 0.544 56.918 56.287 0.145 0.000 1.343 282 K CB -0.252 32.324 32.500 0.127 0.000 2.827 282 K HN 0.545 nan 8.250 nan 0.000 0.414 283 P HA 0.353 nan 4.420 nan 0.000 0.281 283 P C -1.292 176.243 177.300 0.391 0.000 1.249 283 P CA 0.001 63.265 63.100 0.274 0.000 0.810 283 P CB 0.582 32.410 31.700 0.213 0.000 1.008 284 F N 0.498 120.566 119.950 0.198 0.000 2.651 284 F HA 0.553 5.079 4.527 -0.002 0.000 0.327 284 F C -1.632 174.227 175.800 0.098 0.000 1.133 284 F CA -0.712 57.379 58.000 0.152 0.000 1.076 284 F CB 0.941 40.047 39.000 0.177 0.000 1.315 284 F HN 0.429 nan 8.300 nan 0.000 0.499 285 A N 5.711 128.283 122.820 -0.413 0.000 2.292 285 A HA 0.819 5.138 4.320 -0.002 0.000 0.319 285 A C -1.887 175.260 177.584 -0.727 0.000 1.206 285 A CA -0.418 51.398 52.037 -0.369 0.000 0.835 285 A CB 0.625 19.681 19.000 0.094 0.000 1.164 285 A HN 0.862 nan 8.150 nan 0.000 0.505 286 F N 1.474 120.912 119.950 -0.854 0.000 2.641 286 F HA 0.697 5.222 4.527 -0.002 0.000 0.308 286 F C 0.085 175.632 175.800 -0.420 0.000 1.105 286 F CA 0.707 58.302 58.000 -0.675 0.000 0.964 286 F CB 1.760 40.266 39.000 -0.823 0.000 1.294 286 F HN 1.283 nan 8.300 nan 0.000 0.442 287 G N 3.642 111.560 108.800 -1.470 0.000 2.327 287 G HA2 0.232 4.191 3.960 -0.002 0.000 0.291 287 G HA3 0.232 4.191 3.960 -0.002 0.000 0.291 287 G C -2.306 172.391 174.900 -0.339 0.000 1.290 287 G CA -1.133 43.495 45.100 -0.787 0.000 0.857 287 G HN 0.631 nan 8.290 nan 0.000 0.520 288 K N 0.346 120.666 120.400 -0.135 0.000 2.185 288 K HA 0.636 4.955 4.320 -0.002 0.000 0.269 288 K C -0.029 176.433 176.600 -0.230 0.000 0.987 288 K CA -0.450 55.693 56.287 -0.240 0.000 0.865 288 K CB 1.069 33.351 32.500 -0.363 0.000 1.090 288 K HN 0.393 nan 8.250 nan 0.000 0.450 289 L N 1.024 122.122 121.223 -0.208 0.000 2.569 289 L HA 0.224 4.564 4.340 -0.002 0.000 0.247 289 L C 1.816 178.573 176.870 -0.188 0.000 1.135 289 L CA -0.378 54.362 54.840 -0.167 0.000 0.812 289 L CB 0.701 42.719 42.059 -0.068 0.000 1.431 289 L HN 0.630 nan 8.230 nan 0.000 0.499 290 S N -0.046 115.573 115.700 -0.134 0.000 2.400 290 S HA -0.088 4.381 4.470 -0.002 0.000 0.232 290 S C 0.889 175.403 174.600 -0.142 0.000 1.025 290 S CA 1.320 59.445 58.200 -0.126 0.000 0.993 290 S CB -0.205 62.945 63.200 -0.083 0.000 0.808 290 S HN 0.602 nan 8.310 nan 0.000 0.478 291 N N 0.018 118.637 118.700 -0.135 0.000 2.116 291 N HA 0.151 4.890 4.740 -0.002 0.000 0.230 291 N C -0.582 174.831 175.510 -0.161 0.000 1.326 291 N CA 0.244 53.213 53.050 -0.135 0.000 0.867 291 N CB 1.251 39.696 38.487 -0.070 0.000 1.174 291 N HN 0.424 nan 8.380 nan 0.000 0.506 292 S N -1.175 114.408 115.700 -0.194 0.000 2.671 292 S HA 0.606 5.075 4.470 -0.002 0.000 0.277 292 S C -1.464 172.983 174.600 -0.255 0.000 1.165 292 S CA -0.893 57.206 58.200 -0.169 0.000 0.822 292 S CB 1.443 64.648 63.200 0.009 0.000 1.150 292 S HN 0.160 nan 8.310 nan 0.000 0.479 293 W N 0.768 122.074 121.300 0.010 0.000 2.376 293 W HA 0.642 5.301 4.660 -0.002 0.000 0.322 293 W C -0.538 175.976 176.519 -0.008 0.000 1.160 293 W CA -0.652 56.662 57.345 -0.051 0.000 1.218 293 W CB 1.012 30.493 29.460 0.035 0.000 1.205 293 W HN 0.607 nan 8.180 nan 0.000 0.559 294 F N 3.619 123.568 119.950 -0.003 0.000 2.427 294 F HA 0.591 5.117 4.527 -0.001 0.000 0.346 294 F C -0.593 175.151 175.800 -0.093 0.000 1.120 294 F CA -1.036 56.940 58.000 -0.040 0.000 1.033 294 F CB 0.491 39.445 39.000 -0.076 0.000 1.126 294 F HN 0.160 nan 8.300 nan 0.000 0.462 295 C N 4.311 123.168 119.300 -0.737 0.000 2.379 295 C HA 0.815 5.274 4.460 -0.002 0.000 0.323 295 C C 0.417 174.715 174.990 -1.154 0.000 1.262 295 C CA -0.813 57.790 59.018 -0.691 0.000 1.581 295 C CB 0.616 28.282 27.740 -0.123 0.000 2.221 295 C HN 1.058 nan 8.230 nan 0.000 0.497 296 G N 3.503 111.773 108.800 -0.883 0.000 2.557 296 G HA2 0.632 4.591 3.960 -0.002 0.000 0.310 296 G HA3 0.632 4.591 3.960 -0.002 0.000 0.310 296 G C -0.851 173.993 174.900 -0.093 0.000 1.328 296 G CA -0.293 44.564 45.100 -0.405 0.000 0.945 296 G HN 0.687 nan 8.290 nan 0.000 0.494 297 L N 3.247 124.485 121.223 0.025 0.000 2.416 297 L HA 0.541 4.880 4.340 -0.002 0.000 0.262 297 L C -1.729 175.229 176.870 0.147 0.000 1.093 297 L CA -2.042 52.895 54.840 0.161 0.000 0.801 297 L CB 2.212 44.362 42.059 0.151 0.000 1.191 297 L HN 0.329 nan 8.230 nan 0.000 0.459 298 P HA 0.107 nan 4.420 nan 0.000 0.279 298 P C 0.357 177.735 177.300 0.131 0.000 1.252 298 P CA -0.439 62.752 63.100 0.152 0.000 0.811 298 P CB 1.138 32.938 31.700 0.166 0.000 1.035 299 G N 1.455 110.324 108.800 0.115 0.000 2.498 299 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.219 299 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.219 299 G C 0.715 175.684 174.900 0.115 0.000 1.119 299 G CA 0.195 45.357 45.100 0.103 0.000 0.766 299 G HN 0.641 nan 8.290 nan 0.000 0.552 300 N N 0.626 119.406 118.700 0.134 0.000 2.442 300 N HA 0.250 4.989 4.740 -0.002 0.000 0.265 300 N C -1.228 174.398 175.510 0.193 0.000 1.138 300 N CA -1.421 51.723 53.050 0.155 0.000 0.956 300 N CB 1.673 40.255 38.487 0.159 0.000 1.067 300 N HN -0.168 nan 8.380 nan 0.000 0.474 301 P HA -0.256 nan 4.420 nan 0.000 0.214 301 P C 1.260 178.835 177.300 0.458 0.000 1.172 301 P CA 1.008 64.288 63.100 0.300 0.000 0.925 301 P CB 0.156 32.038 31.700 0.303 0.000 0.793 302 V N -0.367 119.827 119.914 0.466 0.000 2.392 302 V HA -0.254 3.865 4.120 -0.002 0.000 0.249 302 V C 2.392 178.676 176.094 0.317 0.000 1.059 302 V CA 2.428 64.977 62.300 0.415 0.000 1.051 302 V CB -1.388 30.588 31.823 0.256 0.000 0.658 302 V HN 0.175 nan 8.190 nan 0.000 0.455 303 S N 0.235 116.083 115.700 0.246 0.000 2.348 303 S HA -0.158 4.311 4.470 -0.002 0.000 0.221 303 S C 2.210 176.928 174.600 0.196 0.000 1.033 303 S CA 1.447 59.764 58.200 0.195 0.000 1.010 303 S CB -0.522 62.782 63.200 0.172 0.000 0.891 303 S HN 0.664 nan 8.310 nan 0.000 0.442 304 A N 1.416 124.361 122.820 0.208 0.000 1.898 304 A HA -0.070 4.249 4.320 -0.002 0.000 0.216 304 A C 2.301 180.016 177.584 0.218 0.000 1.181 304 A CA 1.902 54.057 52.037 0.196 0.000 0.620 304 A CB -1.370 17.724 19.000 0.156 0.000 0.819 304 A HN 0.467 nan 8.150 nan 0.000 0.442 305 T N 0.777 115.464 114.554 0.222 0.000 2.529 305 T HA -0.196 4.153 4.350 -0.002 0.000 0.261 305 T C 1.883 176.748 174.700 0.276 0.000 1.110 305 T CA 1.472 63.697 62.100 0.208 0.000 1.192 305 T CB -0.610 68.281 68.868 0.038 0.000 0.864 305 T HN 0.325 nan 8.240 nan 0.000 0.407 306 L N 0.991 122.356 121.223 0.237 0.000 1.978 306 L HA -0.237 4.103 4.340 -0.002 0.000 0.218 306 L C 2.429 179.301 176.870 0.004 0.000 1.075 306 L CA 2.371 57.276 54.840 0.108 0.000 0.767 306 L CB -1.639 40.450 42.059 0.050 0.000 0.890 306 L HN 0.378 nan 8.230 nan 0.000 0.434 307 T N 0.160 114.733 114.554 0.031 0.000 2.653 307 T HA -0.296 4.053 4.350 -0.002 0.000 0.268 307 T C 1.559 176.239 174.700 -0.032 0.000 1.035 307 T CA 2.141 64.213 62.100 -0.047 0.000 1.154 307 T CB -0.628 68.276 68.868 0.059 0.000 0.862 307 T HN 0.522 nan 8.240 nan 0.000 0.441 308 F N 0.553 120.503 119.950 -0.001 0.000 2.075 308 F HA -0.135 4.391 4.527 -0.001 0.000 0.297 308 F C 2.216 178.014 175.800 -0.003 0.000 1.113 308 F CA 1.218 59.223 58.000 0.009 0.000 1.218 308 F CB -0.684 38.337 39.000 0.035 0.000 0.984 308 F HN 0.201 nan 8.300 nan 0.000 0.472 309 Y N 0.599 120.874 120.300 -0.042 0.000 2.207 309 Y HA -0.264 4.285 4.550 -0.003 0.000 0.287 309 Y C 2.247 177.992 175.900 -0.259 0.000 1.156 309 Y CA 1.812 59.835 58.100 -0.128 0.000 1.182 309 Y CB -0.116 38.435 38.460 0.152 0.000 0.979 309 Y HN 0.177 nan 8.280 nan 0.000 0.521 310 Q N -0.813 118.950 119.800 -0.062 0.000 2.376 310 Q HA 0.098 4.437 4.340 -0.002 0.000 0.206 310 Q C 1.877 177.710 176.000 -0.279 0.000 0.921 310 Q CA 0.700 56.386 55.803 -0.195 0.000 0.911 310 Q CB 0.676 29.162 28.738 -0.421 0.000 1.032 310 Q HN 0.524 nan 8.270 nan 0.000 0.510 311 L N -1.308 119.704 121.223 -0.352 0.000 2.590 311 L HA 0.072 4.411 4.340 -0.002 0.000 0.181 311 L C 2.107 178.768 176.870 -0.350 0.000 1.134 311 L CA 0.253 54.856 54.840 -0.396 0.000 0.850 311 L CB -0.335 41.321 42.059 -0.671 0.000 1.172 311 L HN -0.142 nan 8.230 nan 0.000 0.498 312 V N 0.392 120.093 119.914 -0.355 0.000 2.392 312 V HA -0.335 3.784 4.120 -0.002 0.000 0.249 312 V C 2.380 178.171 176.094 -0.505 0.000 1.059 312 V CA 2.010 64.111 62.300 -0.332 0.000 1.051 312 V CB -0.575 31.096 31.823 -0.252 0.000 0.658 312 V HN 0.510 nan 8.190 nan 0.000 0.455 313 Q N -0.202 119.152 119.800 -0.742 0.000 2.020 313 Q HA -0.180 4.159 4.340 -0.002 0.000 0.202 313 Q C 0.101 175.892 176.000 -0.349 0.000 0.982 313 Q CA 2.111 57.542 55.803 -0.620 0.000 0.838 313 Q CB -0.969 27.350 28.738 -0.699 0.000 0.899 313 Q HN 0.475 nan 8.270 nan 0.000 0.423 314 P HA -0.218 nan 4.420 nan 0.000 0.216 314 P C 1.398 178.589 177.300 -0.181 0.000 1.157 314 P CA 1.273 64.250 63.100 -0.205 0.000 0.880 314 P CB -0.236 31.348 31.700 -0.193 0.000 0.791 315 L N -1.284 119.818 121.223 -0.201 0.000 2.079 315 L HA -0.170 4.169 4.340 -0.002 0.000 0.210 315 L C 2.059 178.863 176.870 -0.110 0.000 1.081 315 L CA 1.849 56.587 54.840 -0.171 0.000 0.752 315 L CB -1.139 40.813 42.059 -0.179 0.000 0.896 315 L HN -0.100 nan 8.230 nan 0.000 0.433 316 L N -0.735 120.420 121.223 -0.114 0.000 2.156 316 L HA -0.040 4.299 4.340 -0.002 0.000 0.208 316 L C 2.725 179.561 176.870 -0.057 0.000 1.095 316 L CA 0.782 55.584 54.840 -0.063 0.000 0.770 316 L CB -0.936 41.081 42.059 -0.070 0.000 0.914 316 L HN 0.373 nan 8.230 nan 0.000 0.439 317 A N 0.705 123.473 122.820 -0.087 0.000 1.858 317 A HA -0.274 4.045 4.320 -0.002 0.000 0.216 317 A C 2.382 179.938 177.584 -0.046 0.000 1.190 317 A CA 2.160 54.155 52.037 -0.070 0.000 0.617 317 A CB -0.454 18.494 19.000 -0.087 0.000 0.827 317 A HN 0.320 nan 8.150 nan 0.000 0.443 318 K N -0.427 119.943 120.400 -0.051 0.000 2.057 318 K HA -0.026 4.293 4.320 -0.002 0.000 0.207 318 K C 1.854 178.453 176.600 -0.001 0.000 1.049 318 K CA 1.296 57.565 56.287 -0.031 0.000 0.931 318 K CB -0.337 32.136 32.500 -0.046 0.000 0.714 318 K HN 0.429 nan 8.250 nan 0.000 0.440 319 L N 0.995 122.223 121.223 0.009 0.000 2.131 319 L HA -0.153 4.186 4.340 -0.002 0.000 0.210 319 L C 2.302 179.196 176.870 0.039 0.000 1.092 319 L CA 1.500 56.371 54.840 0.053 0.000 0.759 319 L CB -0.367 41.740 42.059 0.081 0.000 0.903 319 L HN 0.374 nan 8.230 nan 0.000 0.435 320 S N -0.960 114.748 115.700 0.014 0.000 2.561 320 S HA 0.060 4.529 4.470 -0.002 0.000 0.225 320 S C 1.600 176.202 174.600 0.004 0.000 0.977 320 S CA 0.479 58.684 58.200 0.008 0.000 0.926 320 S CB 0.166 63.361 63.200 -0.008 0.000 0.769 320 S HN 0.564 nan 8.310 nan 0.000 0.533 321 G N 1.288 110.092 108.800 0.006 0.000 2.179 321 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.260 321 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.260 321 G C 0.005 174.900 174.900 -0.008 0.000 0.977 321 G CA 0.089 45.191 45.100 0.003 0.000 0.641 321 G HN 0.647 nan 8.290 nan 0.000 0.533 322 N N 1.273 119.962 118.700 -0.018 0.000 2.483 322 N HA 0.315 5.054 4.740 -0.002 0.000 0.264 322 N C 1.455 176.952 175.510 -0.021 0.000 1.197 322 N CA 1.000 54.035 53.050 -0.026 0.000 0.927 322 N CB 0.858 39.323 38.487 -0.037 0.000 1.065 322 N HN 0.449 nan 8.380 nan 0.000 0.461 323 T N -0.056 114.488 114.554 -0.017 0.000 3.251 323 T HA 0.384 4.733 4.350 -0.002 0.000 0.259 323 T C 0.442 175.134 174.700 -0.013 0.000 0.998 323 T CA -0.673 61.420 62.100 -0.012 0.000 0.905 323 T CB -0.122 68.744 68.868 -0.003 0.000 1.067 323 T HN 0.460 nan 8.240 nan 0.000 0.569 324 A N 2.263 125.070 122.820 -0.021 0.000 2.527 324 A HA 0.580 4.899 4.320 -0.002 0.000 0.313 324 A C 0.710 178.282 177.584 -0.021 0.000 1.410 324 A CA -0.778 51.247 52.037 -0.020 0.000 1.060 324 A CB -0.329 18.655 19.000 -0.026 0.000 1.137 324 A HN 0.609 nan 8.150 nan 0.000 0.542 325 S N 1.758 117.449 115.700 -0.015 0.000 2.545 325 S HA 0.777 5.246 4.470 -0.002 0.000 0.275 325 S C 0.362 174.955 174.600 -0.012 0.000 1.299 325 S CA -0.010 58.180 58.200 -0.016 0.000 1.048 325 S CB 1.089 64.281 63.200 -0.014 0.000 0.938 325 S HN 2.271 nan 8.310 nan 0.000 0.496 326 G N 0.632 109.423 108.800 -0.014 0.000 2.348 326 G HA2 0.249 4.208 3.960 -0.002 0.000 0.606 326 G HA3 0.249 4.208 3.960 -0.002 0.000 0.606 326 G C -1.786 173.111 174.900 -0.004 0.000 1.466 326 G CA -1.195 43.902 45.100 -0.006 0.000 0.950 326 G HN 0.770 nan 8.290 nan 0.000 0.657 327 L N 2.677 123.906 121.223 0.011 0.000 2.265 327 L HA 0.564 4.903 4.340 -0.002 0.000 0.289 327 L C -1.602 175.306 176.870 0.062 0.000 1.033 327 L CA -1.290 53.566 54.840 0.027 0.000 0.814 327 L CB 0.990 43.071 42.059 0.036 0.000 1.203 327 L HN 0.468 nan 8.230 nan 0.000 0.423 328 P HA -0.161 nan 4.420 nan 0.000 0.262 328 P C -0.367 177.001 177.300 0.113 0.000 1.126 328 P CA 0.327 63.490 63.100 0.105 0.000 0.755 328 P CB 0.118 31.922 31.700 0.173 0.000 0.716 329 A N 4.123 126.995 122.820 0.087 0.000 2.624 329 A HA -0.030 4.289 4.320 -0.002 0.000 0.231 329 A C 0.704 178.343 177.584 0.092 0.000 1.034 329 A CA 0.709 52.790 52.037 0.074 0.000 0.754 329 A CB -0.231 18.806 19.000 0.062 0.000 0.953 329 A HN 0.648 nan 8.150 nan 0.000 0.509 330 R N 1.742 122.286 120.500 0.073 0.000 2.625 330 R HA 0.243 4.582 4.340 -0.002 0.000 0.286 330 R C -0.353 175.980 176.300 0.053 0.000 1.406 330 R CA -0.249 55.899 56.100 0.081 0.000 1.052 330 R CB 0.749 31.103 30.300 0.089 0.000 1.203 330 R HN 1.008 nan 8.270 nan 0.000 0.502 331 Q N 3.265 123.098 119.800 0.055 0.000 2.193 331 Q HA 0.476 4.815 4.340 -0.002 0.000 0.246 331 Q C -0.774 175.258 176.000 0.054 0.000 0.959 331 Q CA -0.947 54.880 55.803 0.040 0.000 0.904 331 Q CB 1.957 30.721 28.738 0.042 0.000 1.238 331 Q HN 0.301 nan 8.270 nan 0.000 0.469 332 R N 0.460 120.985 120.500 0.042 0.000 2.474 332 R HA 0.719 5.058 4.340 -0.002 0.000 0.295 332 R C -1.176 175.280 176.300 0.260 0.000 0.980 332 R CA -0.590 55.568 56.100 0.096 0.000 0.934 332 R CB 1.971 32.233 30.300 -0.062 0.000 1.101 332 R HN 0.546 nan 8.270 nan 0.000 0.469 333 V N 2.292 122.481 119.914 0.458 0.000 3.282 333 V HA 0.385 4.504 4.120 -0.002 0.000 0.295 333 V C -1.376 174.838 176.094 0.200 0.000 1.451 333 V CA -0.847 61.701 62.300 0.414 0.000 1.062 333 V CB 2.704 34.627 31.823 0.167 0.000 1.128 333 V HN 0.722 nan 8.190 nan 0.000 0.456 334 R N 1.002 121.414 120.500 -0.147 0.000 2.428 334 R HA 0.610 4.949 4.340 -0.002 0.000 0.294 334 R C -0.684 175.507 176.300 -0.182 0.000 1.000 334 R CA -0.421 55.462 56.100 -0.361 0.000 0.960 334 R CB 1.514 31.464 30.300 -0.583 0.000 1.076 334 R HN 0.781 nan 8.270 nan 0.000 0.475 335 T N 1.536 115.992 114.554 -0.165 0.000 2.769 335 T HA 0.117 4.466 4.350 -0.002 0.000 0.293 335 T C 1.052 175.678 174.700 -0.124 0.000 0.931 335 T CA -0.385 61.646 62.100 -0.115 0.000 1.139 335 T CB 1.330 70.142 68.868 -0.093 0.000 0.881 335 T HN 0.715 nan 8.240 nan 0.000 0.532 336 A N 3.235 125.994 122.820 -0.100 0.000 2.251 336 A HA 0.410 4.729 4.320 -0.002 0.000 0.209 336 A C 1.161 178.702 177.584 -0.072 0.000 1.187 336 A CA -0.150 51.835 52.037 -0.088 0.000 0.823 336 A CB 0.112 19.067 19.000 -0.076 0.000 0.846 336 A HN 0.631 nan 8.150 nan 0.000 0.486 337 S N -1.104 114.554 115.700 -0.070 0.000 2.704 337 S HA 0.553 5.022 4.470 -0.002 0.000 0.296 337 S C -0.318 174.247 174.600 -0.059 0.000 1.138 337 S CA -0.773 57.391 58.200 -0.059 0.000 0.875 337 S CB 1.387 64.554 63.200 -0.055 0.000 1.151 337 S HN 0.418 nan 8.310 nan 0.000 0.500 338 R N 0.900 121.369 120.500 -0.051 0.000 2.500 338 R HA 0.612 4.951 4.340 -0.002 0.000 0.277 338 R C -1.351 174.920 176.300 -0.049 0.000 1.026 338 R CA -0.315 55.756 56.100 -0.047 0.000 1.058 338 R CB 0.442 30.718 30.300 -0.040 0.000 1.078 338 R HN 0.539 nan 8.270 nan 0.000 0.509 339 L N 3.393 124.587 121.223 -0.048 0.000 2.555 339 L HA 0.320 4.659 4.340 -0.002 0.000 0.264 339 L C -0.841 175.998 176.870 -0.051 0.000 0.972 339 L CA -0.894 53.915 54.840 -0.052 0.000 0.876 339 L CB 1.855 43.882 42.059 -0.052 0.000 1.216 339 L HN 0.312 nan 8.230 nan 0.000 0.415 340 K N 2.597 122.964 120.400 -0.056 0.000 2.336 340 K HA 0.230 4.549 4.320 -0.002 0.000 0.290 340 K C -0.258 176.311 176.600 -0.053 0.000 1.067 340 K CA -0.173 56.084 56.287 -0.051 0.000 0.962 340 K CB 0.263 32.731 32.500 -0.053 0.000 1.008 340 K HN 0.166 nan 8.250 nan 0.000 0.467 341 K N 1.550 121.923 120.400 -0.045 0.000 2.221 341 K HA 0.329 4.648 4.320 -0.002 0.000 0.258 341 K C -0.939 175.639 176.600 -0.037 0.000 0.944 341 K CA -0.331 55.929 56.287 -0.045 0.000 0.823 341 K CB 1.455 33.926 32.500 -0.049 0.000 1.113 341 K HN 0.362 nan 8.250 nan 0.000 0.431 342 T N 6.949 121.483 114.554 -0.033 0.000 2.758 342 T HA 0.408 4.757 4.350 -0.002 0.000 0.285 342 T C -2.479 172.205 174.700 -0.026 0.000 0.981 342 T CA -1.478 60.608 62.100 -0.025 0.000 0.965 342 T CB 1.314 70.172 68.868 -0.018 0.000 0.927 342 T HN 0.511 nan 8.240 nan 0.000 0.448 343 P HA 0.262 nan 4.420 nan 0.000 0.270 343 P C 1.066 178.354 177.300 -0.020 0.000 1.227 343 P CA 0.678 63.763 63.100 -0.025 0.000 0.788 343 P CB 0.321 32.008 31.700 -0.020 0.000 0.926 344 G N -0.544 108.243 108.800 -0.022 0.000 2.195 344 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.224 344 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.224 344 G C 0.095 174.986 174.900 -0.015 0.000 0.990 344 G CA -0.376 44.715 45.100 -0.015 0.000 0.639 344 G HN 0.611 nan 8.290 nan 0.000 0.514 345 R N -0.674 119.811 120.500 -0.026 0.000 2.535 345 R HA 0.411 4.750 4.340 -0.002 0.000 0.274 345 R C -1.141 175.121 176.300 -0.063 0.000 1.090 345 R CA -0.956 55.129 56.100 -0.025 0.000 0.930 345 R CB 1.775 32.073 30.300 -0.002 0.000 1.223 345 R HN 0.277 nan 8.270 nan 0.000 0.441 346 L N 3.180 124.353 121.223 -0.083 0.000 2.530 346 L HA 0.128 4.467 4.340 -0.002 0.000 0.273 346 L C -0.357 176.346 176.870 -0.278 0.000 1.141 346 L CA 0.637 55.356 54.840 -0.202 0.000 0.905 346 L CB 0.129 42.064 42.059 -0.207 0.000 1.202 346 L HN 0.396 nan 8.230 nan 0.000 0.473 347 D N 5.073 125.287 120.400 -0.310 0.000 2.317 347 D HA 0.149 4.788 4.640 -0.002 0.000 0.234 347 D C -0.908 175.177 176.300 -0.358 0.000 1.112 347 D CA -0.150 53.717 54.000 -0.221 0.000 0.840 347 D CB 0.422 41.150 40.800 -0.120 0.000 1.078 347 D HN 0.364 nan 8.370 nan 0.000 0.486 348 F N 3.072 122.959 119.950 -0.105 0.000 2.467 348 F HA 0.220 4.746 4.527 -0.002 0.000 0.349 348 F C 1.216 177.010 175.800 -0.011 0.000 1.182 348 F CA -0.527 57.373 58.000 -0.166 0.000 1.279 348 F CB 0.406 39.139 39.000 -0.444 0.000 1.626 348 F HN 0.071 nan 8.300 nan 0.000 0.596 349 Q N 1.540 121.423 119.800 0.138 0.000 2.221 349 Q HA 0.564 4.903 4.340 -0.002 0.000 0.242 349 Q C -0.183 175.913 176.000 0.160 0.000 0.940 349 Q CA -0.943 54.919 55.803 0.099 0.000 0.896 349 Q CB 1.431 30.171 28.738 0.002 0.000 1.226 349 Q HN 0.454 nan 8.270 nan 0.000 0.463 350 R N -0.225 120.282 120.500 0.012 0.000 2.540 350 R HA 0.707 5.046 4.340 -0.002 0.000 0.287 350 R C -0.195 176.010 176.300 -0.158 0.000 0.980 350 R CA -0.234 55.793 56.100 -0.122 0.000 0.966 350 R CB 1.552 31.694 30.300 -0.265 0.000 1.106 350 R HN 0.721 nan 8.270 nan 0.000 0.480 351 G N -0.178 108.488 108.800 -0.223 0.000 2.949 351 G HA2 0.554 4.513 3.960 -0.002 0.000 0.285 351 G HA3 0.554 4.513 3.960 -0.002 0.000 0.285 351 G C -1.534 173.227 174.900 -0.232 0.000 1.395 351 G CA -0.613 44.379 45.100 -0.181 0.000 0.901 351 G HN 0.331 nan 8.290 nan 0.000 0.519 352 V N 0.823 120.638 119.914 -0.165 0.000 2.349 352 V HA 0.327 4.446 4.120 -0.002 0.000 0.284 352 V C -0.460 175.565 176.094 -0.115 0.000 1.014 352 V CA -0.563 61.645 62.300 -0.153 0.000 0.826 352 V CB 1.060 32.816 31.823 -0.110 0.000 1.009 352 V HN 0.577 nan 8.190 nan 0.000 0.431 353 L N 6.210 127.360 121.223 -0.121 0.000 2.418 353 L HA 0.406 4.745 4.340 -0.002 0.000 0.274 353 L C 0.285 177.124 176.870 -0.052 0.000 1.135 353 L CA 0.955 55.750 54.840 -0.075 0.000 0.870 353 L CB 0.482 42.499 42.059 -0.069 0.000 1.154 353 L HN 0.887 nan 8.230 nan 0.000 0.462 354 Q N 4.533 124.311 119.800 -0.037 0.000 2.462 354 Q HA 0.459 4.798 4.340 -0.002 0.000 0.285 354 Q C -0.946 175.044 176.000 -0.016 0.000 1.035 354 Q CA -1.116 54.672 55.803 -0.025 0.000 0.799 354 Q CB 1.369 30.089 28.738 -0.029 0.000 1.452 354 Q HN 0.477 nan 8.270 nan 0.000 0.404 355 R N 1.908 122.403 120.500 -0.009 0.000 2.442 355 R HA 0.119 4.458 4.340 -0.002 0.000 0.291 355 R C 0.190 176.485 176.300 -0.009 0.000 1.069 355 R CA 0.102 56.199 56.100 -0.004 0.000 1.022 355 R CB 0.508 30.808 30.300 0.001 0.000 0.976 355 R HN 0.761 nan 8.270 nan 0.000 0.443 356 N N 2.659 121.353 118.700 -0.010 0.000 2.538 356 N HA 0.102 4.841 4.740 -0.002 0.000 0.292 356 N C 0.637 176.141 175.510 -0.011 0.000 1.262 356 N CA 0.084 53.125 53.050 -0.016 0.000 0.976 356 N CB 0.683 39.155 38.487 -0.025 0.000 1.161 356 N HN 0.442 nan 8.380 nan 0.000 0.598 357 A N 0.295 123.106 122.820 -0.014 0.000 1.903 357 A HA -0.258 4.061 4.320 -0.002 0.000 0.219 357 A C 1.656 179.237 177.584 -0.006 0.000 1.191 357 A CA 2.089 54.120 52.037 -0.010 0.000 0.638 357 A CB -0.808 18.184 19.000 -0.013 0.000 0.823 357 A HN 0.812 nan 8.150 nan 0.000 0.451 358 D N -1.940 118.457 120.400 -0.006 0.000 2.084 358 D HA 0.107 4.746 4.640 -0.002 0.000 0.196 358 D C 1.541 177.843 176.300 0.004 0.000 0.985 358 D CA 2.037 56.036 54.000 -0.000 0.000 0.826 358 D CB -0.175 40.626 40.800 0.001 0.000 0.978 358 D HN 0.703 nan 8.370 nan 0.000 0.456 359 G N 0.825 109.628 108.800 0.005 0.000 2.507 359 G HA2 -0.128 3.831 3.960 -0.002 0.000 0.205 359 G HA3 -0.128 3.831 3.960 -0.002 0.000 0.205 359 G C -0.159 174.751 174.900 0.016 0.000 0.996 359 G CA -0.183 44.923 45.100 0.009 0.000 0.776 359 G HN 0.340 nan 8.290 nan 0.000 0.532 360 E N 0.680 120.890 120.200 0.016 0.000 2.222 360 E HA 0.717 5.066 4.350 -0.002 0.000 0.272 360 E C -0.547 176.065 176.600 0.020 0.000 0.982 360 E CA -1.010 55.408 56.400 0.029 0.000 0.842 360 E CB 2.195 31.921 29.700 0.042 0.000 1.144 360 E HN 0.031 nan 8.360 nan 0.000 0.397 361 L N 1.724 122.967 121.223 0.035 0.000 2.436 361 L HA 0.158 4.497 4.340 -0.002 0.000 0.265 361 L C 0.055 176.930 176.870 0.008 0.000 1.168 361 L CA 0.650 55.503 54.840 0.023 0.000 0.815 361 L CB 0.317 42.398 42.059 0.037 0.000 1.109 361 L HN 0.737 nan 8.230 nan 0.000 0.462 362 E N 1.235 121.426 120.200 -0.015 0.000 2.363 362 E HA 0.560 4.909 4.350 -0.002 0.000 0.281 362 E C -1.347 175.226 176.600 -0.046 0.000 0.953 362 E CA -1.063 55.313 56.400 -0.040 0.000 0.778 362 E CB 1.186 30.846 29.700 -0.067 0.000 1.220 362 E HN 0.231 nan 8.360 nan 0.000 0.431 363 V N -0.006 119.877 119.914 -0.052 0.000 3.036 363 V HA 0.750 4.869 4.120 -0.002 0.000 0.308 363 V C -0.142 175.911 176.094 -0.068 0.000 1.070 363 V CA -0.281 61.982 62.300 -0.062 0.000 1.056 363 V CB 1.327 33.116 31.823 -0.058 0.000 1.084 363 V HN 0.813 nan 8.190 nan 0.000 0.471 364 T N 0.804 115.314 114.554 -0.074 0.000 2.952 364 T HA 0.391 4.740 4.350 -0.002 0.000 0.305 364 T C -0.147 174.506 174.700 -0.077 0.000 1.064 364 T CA -0.243 61.815 62.100 -0.070 0.000 1.008 364 T CB 1.608 70.438 68.868 -0.063 0.000 1.078 364 T HN 1.101 nan 8.240 nan 0.000 0.459 365 T N 0.979 115.491 114.554 -0.070 0.000 2.734 365 T HA 0.176 4.525 4.350 -0.002 0.000 0.314 365 T C 1.671 176.324 174.700 -0.077 0.000 1.057 365 T CA 0.720 62.775 62.100 -0.074 0.000 1.047 365 T CB 0.280 69.110 68.868 -0.064 0.000 0.991 365 T HN 0.830 nan 8.240 nan 0.000 0.540 366 T N -0.564 113.938 114.554 -0.087 0.000 3.037 366 T HA 0.535 4.884 4.350 -0.002 0.000 0.251 366 T C 1.127 175.796 174.700 -0.052 0.000 1.079 366 T CA 0.549 62.599 62.100 -0.084 0.000 1.067 366 T CB -0.088 68.708 68.868 -0.120 0.000 0.948 366 T HN 1.206 nan 8.240 nan 0.000 0.496 367 G N 0.614 109.391 108.800 -0.038 0.000 2.247 367 G HA2 0.071 4.030 3.960 -0.002 0.000 0.229 367 G HA3 0.071 4.030 3.960 -0.002 0.000 0.229 367 G C -1.191 173.726 174.900 0.027 0.000 1.345 367 G CA -0.707 44.395 45.100 0.004 0.000 1.100 367 G HN 0.631 nan 8.290 nan 0.000 0.473 368 H N 1.596 120.661 119.070 -0.009 0.000 3.004 368 H HA 0.429 4.983 4.556 -0.002 0.000 0.316 368 H C 0.856 176.186 175.328 0.003 0.000 1.014 368 H CA 0.539 56.602 56.048 0.026 0.000 1.454 368 H CB 0.813 30.630 29.762 0.092 0.000 1.472 368 H HN 0.293 nan 8.280 nan 0.000 0.571 369 Q N 4.403 124.101 119.800 -0.171 0.000 2.399 369 Q HA 0.195 4.534 4.340 -0.002 0.000 0.307 369 Q C 0.339 176.338 176.000 -0.001 0.000 0.933 369 Q CA -0.016 55.733 55.803 -0.090 0.000 0.995 369 Q CB 0.621 29.293 28.738 -0.110 0.000 1.191 369 Q HN 0.758 nan 8.270 nan 0.000 0.426 370 G N 0.418 109.361 108.800 0.237 0.000 2.451 370 G HA2 0.239 4.198 3.960 -0.002 0.000 0.303 370 G HA3 0.239 4.198 3.960 -0.002 0.000 0.303 370 G C 0.593 175.665 174.900 0.287 0.000 1.166 370 G CA -0.520 44.836 45.100 0.427 0.000 0.884 370 G HN 0.250 nan 8.290 nan 0.000 0.514 371 S N -0.340 115.527 115.700 0.277 0.000 2.710 371 S HA -0.004 4.465 4.470 -0.002 0.000 0.224 371 S C 1.134 175.865 174.600 0.218 0.000 0.948 371 S CA 0.295 58.611 58.200 0.192 0.000 0.949 371 S CB -0.412 62.895 63.200 0.178 0.000 0.778 371 S HN 0.834 nan 8.310 nan 0.000 0.498 372 H N 0.939 120.086 119.070 0.128 0.000 2.652 372 H HA 0.463 5.019 4.556 -0.001 0.000 0.274 372 H C 0.318 175.715 175.328 0.115 0.000 1.021 372 H CA -0.506 55.608 56.048 0.111 0.000 1.187 372 H CB -0.288 29.519 29.762 0.075 0.000 1.505 372 H HN 0.671 nan 8.280 nan 0.000 0.530 373 I N -4.272 116.087 120.570 -0.353 0.000 2.769 373 I HA 0.331 4.500 4.170 -0.002 0.000 0.298 373 I C -0.609 175.525 176.117 0.028 0.000 1.128 373 I CA -1.278 59.917 61.300 -0.174 0.000 1.031 373 I CB 1.877 39.691 38.000 -0.310 0.000 1.235 373 I HN -0.196 nan 8.210 nan 0.000 0.423 374 F N 2.309 122.254 119.950 -0.008 0.000 2.721 374 F HA 0.060 4.585 4.527 -0.003 0.000 0.301 374 F C 2.347 178.186 175.800 0.064 0.000 1.096 374 F CA 0.962 59.025 58.000 0.104 0.000 1.308 374 F CB 0.516 39.612 39.000 0.161 0.000 1.086 374 F HN 0.693 nan 8.300 nan 0.000 0.587 375 S N -0.861 114.904 115.700 0.108 0.000 2.440 375 S HA -0.207 4.262 4.470 -0.002 0.000 0.238 375 S C 2.117 176.682 174.600 -0.058 0.000 1.010 375 S CA 1.142 59.376 58.200 0.055 0.000 0.972 375 S CB -1.003 62.213 63.200 0.028 0.000 0.774 375 S HN 0.386 nan 8.310 nan 0.000 0.501 376 S N 2.527 118.107 115.700 -0.201 0.000 2.380 376 S HA -0.204 4.265 4.470 -0.002 0.000 0.229 376 S C 1.436 175.824 174.600 -0.353 0.000 1.050 376 S CA 1.701 59.696 58.200 -0.340 0.000 1.100 376 S CB -1.297 61.565 63.200 -0.565 0.000 0.984 376 S HN 0.619 nan 8.310 nan 0.000 0.434 377 F N 1.539 121.300 119.950 -0.315 0.000 2.250 377 F HA -0.094 4.432 4.527 -0.003 0.000 0.301 377 F C 2.958 178.644 175.800 -0.190 0.000 1.077 377 F CA 1.044 58.775 58.000 -0.449 0.000 1.348 377 F CB -0.386 38.114 39.000 -0.834 0.000 1.040 377 F HN 0.228 nan 8.300 nan 0.000 0.509 378 S N 0.270 116.014 115.700 0.072 0.000 2.341 378 S HA -0.039 4.430 4.470 -0.002 0.000 0.216 378 S C 1.977 176.613 174.600 0.060 0.000 1.034 378 S CA 0.747 59.006 58.200 0.098 0.000 0.964 378 S CB -0.364 62.900 63.200 0.107 0.000 0.882 378 S HN 0.216 nan 8.310 nan 0.000 0.469 379 L N 1.370 122.598 121.223 0.007 0.000 2.083 379 L HA 0.125 4.464 4.340 -0.002 0.000 0.209 379 L C 1.630 178.464 176.870 -0.061 0.000 1.083 379 L CA 0.644 55.470 54.840 -0.022 0.000 0.752 379 L CB -1.094 40.941 42.059 -0.040 0.000 0.899 379 L HN 0.282 nan 8.230 nan 0.000 0.433 380 G N 0.368 109.107 108.800 -0.101 0.000 2.569 380 G HA2 0.189 4.148 3.960 -0.002 0.000 0.249 380 G HA3 0.189 4.148 3.960 -0.002 0.000 0.249 380 G C 0.297 175.024 174.900 -0.289 0.000 1.216 380 G CA 0.014 44.970 45.100 -0.241 0.000 0.845 380 G HN 0.449 nan 8.290 nan 0.000 0.568 381 N N -1.724 116.612 118.700 -0.607 0.000 2.232 381 N HA 0.130 4.869 4.740 -0.002 0.000 0.240 381 N C -0.027 174.869 175.510 -1.023 0.000 1.307 381 N CA 0.166 52.844 53.050 -0.621 0.000 0.859 381 N CB -0.482 37.889 38.487 -0.193 0.000 1.260 381 N HN 0.833 nan 8.380 nan 0.000 0.501 382 C N -2.978 115.393 119.300 -1.548 0.000 3.253 382 C HA 0.749 5.208 4.460 -0.002 0.000 0.362 382 C C -1.452 172.996 174.990 -0.903 0.000 1.487 382 C CA -1.484 56.912 59.018 -1.037 0.000 1.179 382 C CB 0.267 27.783 27.740 -0.374 0.000 1.660 382 C HN 0.038 nan 8.230 nan 0.000 0.438 383 F N 0.567 120.415 119.950 -0.172 0.000 2.522 383 F HA 0.767 5.294 4.527 -0.000 0.000 0.324 383 F C 0.105 175.895 175.800 -0.016 0.000 1.077 383 F CA -0.931 57.070 58.000 0.002 0.000 0.944 383 F CB 1.768 40.889 39.000 0.202 0.000 1.175 383 F HN 0.430 nan 8.300 nan 0.000 0.468 384 I N 3.767 124.464 120.570 0.211 0.000 2.405 384 I HA 0.221 4.390 4.170 -0.002 0.000 0.280 384 I C -0.940 175.177 176.117 0.001 0.000 1.027 384 I CA -0.689 60.651 61.300 0.067 0.000 1.161 384 I CB 1.284 39.289 38.000 0.008 0.000 1.300 384 I HN 0.169 nan 8.210 nan 0.000 0.463 385 V N 7.454 127.343 119.914 -0.042 0.000 2.313 385 V HA 0.207 4.326 4.120 -0.002 0.000 0.252 385 V C 0.469 176.451 176.094 -0.187 0.000 1.112 385 V CA -0.315 61.847 62.300 -0.230 0.000 0.984 385 V CB -0.200 31.492 31.823 -0.217 0.000 1.157 385 V HN 0.493 nan 8.190 nan 0.000 0.493 386 L N 3.726 124.831 121.223 -0.197 0.000 2.367 386 L HA 0.364 4.703 4.340 -0.002 0.000 0.275 386 L C 0.609 177.378 176.870 -0.169 0.000 1.129 386 L CA -0.483 54.274 54.840 -0.139 0.000 0.839 386 L CB 0.628 42.623 42.059 -0.108 0.000 1.133 386 L HN 0.506 nan 8.230 nan 0.000 0.453 387 E N 1.657 121.787 120.200 -0.116 0.000 2.404 387 E HA 0.047 4.396 4.350 -0.002 0.000 0.261 387 E C 0.855 177.393 176.600 -0.102 0.000 1.074 387 E CA -0.108 56.227 56.400 -0.110 0.000 0.917 387 E CB 0.631 30.289 29.700 -0.069 0.000 0.965 387 E HN 0.349 nan 8.360 nan 0.000 0.433 388 R N 1.530 121.972 120.500 -0.098 0.000 2.115 388 R HA -0.214 4.125 4.340 -0.002 0.000 0.239 388 R C 0.563 176.829 176.300 -0.057 0.000 1.133 388 R CA 2.099 58.152 56.100 -0.079 0.000 0.935 388 R CB -0.032 30.230 30.300 -0.064 0.000 0.853 388 R HN 0.560 nan 8.270 nan 0.000 0.433 389 D N -0.072 120.300 120.400 -0.046 0.000 2.355 389 D HA -0.053 4.586 4.640 -0.002 0.000 0.218 389 D C 0.554 176.834 176.300 -0.033 0.000 1.004 389 D CA 0.192 54.171 54.000 -0.035 0.000 0.880 389 D CB -0.177 40.606 40.800 -0.028 0.000 0.911 389 D HN 0.162 nan 8.370 nan 0.000 0.528 390 R N 0.423 120.899 120.500 -0.039 0.000 2.758 390 R HA 0.259 4.598 4.340 -0.002 0.000 0.263 390 R C 0.593 176.873 176.300 -0.035 0.000 1.010 390 R CA 0.446 56.524 56.100 -0.036 0.000 1.114 390 R CB 0.428 30.702 30.300 -0.042 0.000 0.985 390 R HN 0.076 nan 8.270 nan 0.000 0.439 391 G N 1.222 110.005 108.800 -0.029 0.000 3.140 391 G HA2 0.175 4.134 3.960 -0.002 0.000 0.271 391 G HA3 0.175 4.134 3.960 -0.002 0.000 0.271 391 G C -1.149 173.733 174.900 -0.029 0.000 1.370 391 G CA -0.964 44.119 45.100 -0.028 0.000 1.014 391 G HN 0.657 nan 8.290 nan 0.000 0.541 392 N N -0.648 118.035 118.700 -0.029 0.000 2.036 392 N HA 0.027 4.766 4.740 -0.002 0.000 0.288 392 N C 0.035 175.527 175.510 -0.031 0.000 1.293 392 N CA 0.289 53.320 53.050 -0.031 0.000 0.808 392 N CB 0.588 39.058 38.487 -0.027 0.000 1.040 392 N HN 0.235 nan 8.380 nan 0.000 0.489 393 V N 2.670 122.563 119.914 -0.036 0.000 2.472 393 V HA 0.277 4.396 4.120 -0.002 0.000 0.290 393 V C 0.416 176.485 176.094 -0.042 0.000 1.037 393 V CA -0.621 61.657 62.300 -0.037 0.000 0.908 393 V CB 1.657 33.456 31.823 -0.039 0.000 0.985 393 V HN 0.513 nan 8.190 nan 0.000 0.454 394 E N 2.027 122.200 120.200 -0.044 0.000 2.212 394 E HA 0.457 4.806 4.350 -0.002 0.000 0.270 394 E C -0.628 175.932 176.600 -0.066 0.000 0.956 394 E CA -0.763 55.608 56.400 -0.049 0.000 0.825 394 E CB 2.294 31.968 29.700 -0.043 0.000 1.167 394 E HN 0.366 nan 8.360 nan 0.000 0.400 395 V N 1.305 121.177 119.914 -0.069 0.000 2.788 395 V HA 0.212 4.331 4.120 -0.002 0.000 0.307 395 V C 1.521 177.548 176.094 -0.111 0.000 1.069 395 V CA 1.899 64.146 62.300 -0.087 0.000 1.173 395 V CB 0.421 32.199 31.823 -0.075 0.000 0.925 395 V HN 1.039 nan 8.190 nan 0.000 0.492 396 G N 3.112 111.817 108.800 -0.158 0.000 2.254 396 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.225 396 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.225 396 G C 0.131 174.847 174.900 -0.308 0.000 1.003 396 G CA 0.134 45.103 45.100 -0.218 0.000 0.622 396 G HN 0.657 nan 8.290 nan 0.000 0.507 397 E N -0.663 119.405 120.200 -0.220 0.000 2.392 397 E HA 0.365 4.714 4.350 -0.002 0.000 0.256 397 E C -0.422 176.034 176.600 -0.240 0.000 1.145 397 E CA -0.595 55.693 56.400 -0.187 0.000 0.929 397 E CB 0.540 30.201 29.700 -0.065 0.000 0.998 397 E HN 0.375 nan 8.360 nan 0.000 0.442 398 W N 1.420 122.706 121.300 -0.023 0.000 2.338 398 W HA 0.386 5.044 4.660 -0.002 0.000 0.307 398 W C -0.505 175.998 176.519 -0.027 0.000 1.167 398 W CA -0.376 56.955 57.345 -0.023 0.000 1.208 398 W CB 0.999 30.447 29.460 -0.020 0.000 1.228 398 W HN 0.111 nan 8.180 nan 0.000 0.499 399 V N 4.616 124.684 119.914 0.257 0.000 2.789 399 V HA 0.317 4.436 4.120 -0.002 0.000 0.311 399 V C -0.530 175.630 176.094 0.110 0.000 1.073 399 V CA -0.944 61.428 62.300 0.121 0.000 0.921 399 V CB 1.928 33.778 31.823 0.045 0.000 1.009 399 V HN 0.291 nan 8.190 nan 0.000 0.426 400 E N 3.513 123.746 120.200 0.057 0.000 2.290 400 E HA 0.404 4.753 4.350 -0.002 0.000 0.277 400 E C -0.965 175.664 176.600 0.047 0.000 1.035 400 E CA 0.110 56.536 56.400 0.043 0.000 0.873 400 E CB 1.634 31.338 29.700 0.008 0.000 1.029 400 E HN 0.392 nan 8.360 nan 0.000 0.419 401 V N 3.737 123.691 119.914 0.067 0.000 2.524 401 V HA 0.143 4.262 4.120 -0.002 0.000 0.297 401 V C -0.228 175.929 176.094 0.105 0.000 1.035 401 V CA -0.645 61.700 62.300 0.075 0.000 0.867 401 V CB 1.938 33.790 31.823 0.049 0.000 1.004 401 V HN 0.551 nan 8.190 nan 0.000 0.426 402 E N 6.894 127.196 120.200 0.170 0.000 2.109 402 E HA 0.442 4.791 4.350 -0.002 0.000 0.278 402 E C -2.603 174.118 176.600 0.203 0.000 0.954 402 E CA -2.049 54.487 56.400 0.227 0.000 0.779 402 E CB 2.134 32.045 29.700 0.351 0.000 1.093 402 E HN 0.390 nan 8.360 nan 0.000 0.401 403 P HA 0.006 nan 4.420 nan 0.000 0.270 403 P C -0.731 176.765 177.300 0.328 0.000 1.223 403 P CA -0.062 63.115 63.100 0.128 0.000 0.785 403 P CB 0.320 32.093 31.700 0.122 0.000 0.923 404 F N 1.790 121.804 119.950 0.107 0.000 2.443 404 F HA 0.127 4.652 4.527 -0.003 0.000 0.353 404 F C 1.595 177.545 175.800 0.250 0.000 1.101 404 F CA -0.906 57.221 58.000 0.213 0.000 1.226 404 F CB -0.448 38.661 39.000 0.181 0.000 1.140 404 F HN 0.376 nan 8.300 nan 0.000 0.557 405 N N 1.457 120.446 118.700 0.481 0.000 2.431 405 N HA 0.361 5.100 4.740 -0.002 0.000 0.289 405 N C 0.912 176.519 175.510 0.163 0.000 1.277 405 N CA -0.168 53.034 53.050 0.254 0.000 0.972 405 N CB 0.703 39.282 38.487 0.153 0.000 1.143 405 N HN 0.467 nan 8.380 nan 0.000 0.578 406 A N 0.352 123.217 122.820 0.075 0.000 1.948 406 A HA -0.156 4.163 4.320 -0.002 0.000 0.220 406 A C 2.352 179.916 177.584 -0.033 0.000 1.177 406 A CA 1.285 53.345 52.037 0.038 0.000 0.636 406 A CB -1.202 17.810 19.000 0.020 0.000 0.815 406 A HN 0.642 nan 8.150 nan 0.000 0.449 407 L N -2.480 118.645 121.223 -0.163 0.000 2.197 407 L HA -0.241 4.098 4.340 -0.002 0.000 0.215 407 L C 2.158 178.741 176.870 -0.479 0.000 1.095 407 L CA 1.568 56.181 54.840 -0.379 0.000 0.764 407 L CB -0.527 41.174 42.059 -0.597 0.000 0.897 407 L HN 0.555 nan 8.230 nan 0.000 0.436 408 F N -1.740 118.201 119.950 -0.015 0.000 2.495 408 F HA 0.422 4.947 4.527 -0.004 0.000 0.271 408 F C 1.356 177.195 175.800 0.065 0.000 0.889 408 F CA 0.008 57.982 58.000 -0.043 0.000 1.129 408 F CB -0.265 38.565 39.000 -0.284 0.000 1.169 408 F HN -0.120 nan 8.300 nan 0.000 0.781 409 G N 0.000 109.005 108.800 0.341 0.000 5.446 409 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 409 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 409 G CA 0.000 45.247 45.100 0.245 0.000 0.502 409 G HN 0.000 nan 8.290 nan 0.000 0.925