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 2nqr_1_B DATA FIRST_RESID 7 DATA SEQUENCE LMSLDTALNE MLSRVTPLTA QETLPLVQCF GRILASDVVS PLDVPGFDNS DATA SEQUENCE AMDGYAVRLA DIASGQPLPV AGKSFAGQPY HGEWPAGTCI RIMTGAPVPE DATA SEQUENCE GCEAVVMQEQ TEQMDNGVRF TAEVRSGQNI RRRGENISAG 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 0.000 176.860 176.870 -0.017 0.000 1.165 7 L CA 0.000 54.848 54.840 0.014 0.000 0.813 7 L CB 0.000 42.077 42.059 0.030 0.000 0.961 8 M N 1.371 120.950 119.600 -0.034 0.000 2.162 8 M HA 0.350 4.830 4.480 0.001 0.000 0.356 8 M C 0.047 176.286 176.300 -0.101 0.000 1.303 8 M CA 0.111 55.345 55.300 -0.110 0.000 1.116 8 M CB 1.315 33.778 32.600 -0.228 0.000 1.632 8 M HN 0.280 nan 8.290 nan 0.000 0.469 9 S N 3.888 119.525 115.700 -0.105 0.000 2.549 9 S HA 0.062 4.532 4.470 0.001 0.000 0.286 9 S C 1.228 175.763 174.600 -0.108 0.000 1.314 9 S CA -0.455 57.695 58.200 -0.083 0.000 1.062 9 S CB 0.463 63.618 63.200 -0.076 0.000 0.865 9 S HN 0.900 nan 8.310 nan 0.000 0.498 10 L N 3.596 124.781 121.223 -0.065 0.000 1.990 10 L HA -0.189 4.151 4.340 0.001 0.000 0.213 10 L C 2.049 178.855 176.870 -0.107 0.000 1.072 10 L CA 1.997 56.790 54.840 -0.078 0.000 0.755 10 L CB -0.614 41.443 42.059 -0.002 0.000 0.889 10 L HN 0.781 nan 8.230 nan 0.000 0.432 11 D N -0.534 119.821 120.400 -0.076 0.000 2.230 11 D HA -0.245 4.395 4.640 0.001 0.000 0.189 11 D C 1.934 178.161 176.300 -0.122 0.000 1.006 11 D CA 2.467 56.417 54.000 -0.084 0.000 0.853 11 D CB -0.183 40.577 40.800 -0.067 0.000 0.959 11 D HN 0.358 nan 8.370 nan 0.000 0.449 12 T N 0.494 114.962 114.554 -0.142 0.000 2.788 12 T HA -0.084 4.266 4.350 0.001 0.000 0.268 12 T C 1.904 176.447 174.700 -0.263 0.000 1.044 12 T CA 1.584 63.577 62.100 -0.178 0.000 1.139 12 T CB -0.276 68.481 68.868 -0.184 0.000 0.867 12 T HN 0.264 nan 8.240 nan 0.000 0.454 13 A N 1.094 123.717 122.820 -0.329 0.000 1.898 13 A HA 0.107 4.428 4.320 0.001 0.000 0.216 13 A C 2.293 179.715 177.584 -0.270 0.000 1.181 13 A CA 0.901 52.649 52.037 -0.483 0.000 0.620 13 A CB -0.780 17.970 19.000 -0.415 0.000 0.819 13 A HN 0.448 nan 8.150 nan 0.000 0.442 14 L N -0.186 120.914 121.223 -0.204 0.000 2.056 14 L HA -0.208 4.133 4.340 0.001 0.000 0.207 14 L C 2.199 178.972 176.870 -0.162 0.000 1.078 14 L CA 1.862 56.593 54.840 -0.182 0.000 0.749 14 L CB -0.636 41.326 42.059 -0.162 0.000 0.901 14 L HN 0.550 nan 8.230 nan 0.000 0.433 15 N N -0.728 117.888 118.700 -0.140 0.000 2.104 15 N HA -0.244 4.497 4.740 0.001 0.000 0.190 15 N C 1.700 177.149 175.510 -0.101 0.000 1.024 15 N CA 1.092 54.076 53.050 -0.110 0.000 0.853 15 N CB 0.007 38.438 38.487 -0.094 0.000 1.008 15 N HN 0.312 nan 8.380 nan 0.000 0.424 16 E N 1.146 121.278 120.200 -0.113 0.000 2.023 16 E HA -0.180 4.170 4.350 0.001 0.000 0.196 16 E C 2.058 178.639 176.600 -0.031 0.000 1.003 16 E CA 1.232 57.603 56.400 -0.047 0.000 0.809 16 E CB -0.100 29.564 29.700 -0.059 0.000 0.755 16 E HN 0.388 nan 8.360 nan 0.000 0.449 17 M N 0.336 119.857 119.600 -0.133 0.000 2.065 17 M HA -0.209 4.272 4.480 0.001 0.000 0.259 17 M C 2.498 178.637 176.300 -0.268 0.000 1.069 17 M CA 1.452 56.520 55.300 -0.386 0.000 1.110 17 M CB -0.428 31.752 32.600 -0.700 0.000 1.328 17 M HN 0.082 nan 8.290 nan 0.000 0.405 18 L N -0.127 120.970 121.223 -0.211 0.000 2.131 18 L HA -0.183 4.157 4.340 0.001 0.000 0.210 18 L C 2.748 179.546 176.870 -0.119 0.000 1.092 18 L CA 1.453 56.193 54.840 -0.166 0.000 0.759 18 L CB -1.015 40.965 42.059 -0.131 0.000 0.903 18 L HN 0.461 nan 8.230 nan 0.000 0.435 19 S N -0.279 115.372 115.700 -0.082 0.000 2.447 19 S HA -0.115 4.356 4.470 0.001 0.000 0.233 19 S C 1.994 176.581 174.600 -0.022 0.000 1.006 19 S CA 0.426 58.604 58.200 -0.038 0.000 0.957 19 S CB -0.226 62.967 63.200 -0.012 0.000 0.773 19 S HN 0.397 nan 8.310 nan 0.000 0.507 20 R N 0.606 121.073 120.500 -0.055 0.000 2.193 20 R HA 0.282 4.622 4.340 0.001 0.000 0.213 20 R C 0.317 176.551 176.300 -0.110 0.000 1.055 20 R CA 0.257 56.328 56.100 -0.048 0.000 0.995 20 R CB -0.612 29.624 30.300 -0.107 0.000 0.893 20 R HN 0.357 nan 8.270 nan 0.000 0.459 21 V N 1.285 121.070 119.914 -0.216 0.000 2.617 21 V HA 0.217 4.337 4.120 0.001 0.000 0.298 21 V C 0.177 176.269 176.094 -0.003 0.000 1.048 21 V CA -0.168 62.010 62.300 -0.204 0.000 0.964 21 V CB 2.008 33.603 31.823 -0.380 0.000 1.004 21 V HN 0.037 nan 8.190 nan 0.000 0.466 22 T N 5.711 120.327 114.554 0.103 0.000 2.824 22 T HA 0.498 4.849 4.350 0.001 0.000 0.282 22 T C -2.661 172.091 174.700 0.087 0.000 0.993 22 T CA -1.071 61.083 62.100 0.090 0.000 0.967 22 T CB 1.860 70.796 68.868 0.114 0.000 0.960 22 T HN 0.450 nan 8.240 nan 0.000 0.441 23 P HA 0.177 nan 4.420 nan 0.000 0.269 23 P C -0.432 176.902 177.300 0.056 0.000 1.209 23 P CA -0.731 62.395 63.100 0.043 0.000 0.776 23 P CB 0.372 32.086 31.700 0.022 0.000 0.876 24 L N 2.508 123.764 121.223 0.056 0.000 2.483 24 L HA 0.054 4.394 4.340 0.001 0.000 0.276 24 L C 1.589 178.481 176.870 0.036 0.000 1.213 24 L CA 1.278 56.149 54.840 0.051 0.000 0.843 24 L CB -0.334 41.753 42.059 0.047 0.000 1.107 24 L HN 0.589 nan 8.230 nan 0.000 0.487 25 T N -1.318 113.256 114.554 0.033 0.000 2.975 25 T HA 0.403 4.753 4.350 0.001 0.000 0.261 25 T C 0.575 175.288 174.700 0.022 0.000 0.984 25 T CA 0.237 62.353 62.100 0.026 0.000 0.911 25 T CB 0.129 69.013 68.868 0.026 0.000 1.127 25 T HN 0.583 nan 8.240 nan 0.000 0.514 26 A N 2.436 125.271 122.820 0.024 0.000 2.477 26 A HA 0.562 4.883 4.320 0.001 0.000 0.246 26 A C 0.231 177.825 177.584 0.017 0.000 1.078 26 A CA -0.526 51.523 52.037 0.020 0.000 0.770 26 A CB 0.076 19.089 19.000 0.021 0.000 1.011 26 A HN 0.723 nan 8.150 nan 0.000 0.494 27 Q N 1.180 120.989 119.800 0.015 0.000 2.433 27 Q HA 0.732 5.072 4.340 0.001 0.000 0.279 27 Q C -0.965 175.042 176.000 0.012 0.000 1.105 27 Q CA -0.885 54.926 55.803 0.013 0.000 0.815 27 Q CB 1.835 30.581 28.738 0.012 0.000 1.403 27 Q HN 0.798 nan 8.270 nan 0.000 0.435 28 E N 0.367 120.574 120.200 0.011 0.000 2.408 28 E HA 0.549 4.899 4.350 0.001 0.000 0.275 28 E C -1.286 175.320 176.600 0.010 0.000 0.935 28 E CA -1.027 55.379 56.400 0.011 0.000 0.775 28 E CB 2.242 31.949 29.700 0.011 0.000 1.277 28 E HN 0.510 nan 8.360 nan 0.000 0.455 29 T N 2.204 116.765 114.554 0.011 0.000 2.770 29 T HA 0.516 4.867 4.350 0.001 0.000 0.283 29 T C -0.528 174.179 174.700 0.012 0.000 0.988 29 T CA -0.521 61.586 62.100 0.011 0.000 0.957 29 T CB 0.297 69.172 68.868 0.012 0.000 0.930 29 T HN 0.300 nan 8.240 nan 0.000 0.443 30 L N 5.154 126.384 121.223 0.012 0.000 2.422 30 L HA 0.508 4.848 4.340 0.001 0.000 0.264 30 L C -2.394 174.484 176.870 0.014 0.000 0.984 30 L CA -2.704 52.144 54.840 0.013 0.000 0.819 30 L CB 2.727 44.794 42.059 0.013 0.000 1.330 30 L HN 0.348 nan 8.230 nan 0.000 0.410 31 P HA 0.103 nan 4.420 nan 0.000 0.270 31 P C 0.763 178.075 177.300 0.020 0.000 1.223 31 P CA -0.258 62.852 63.100 0.018 0.000 0.785 31 P CB 0.963 32.674 31.700 0.018 0.000 0.923 32 L N 1.703 122.938 121.223 0.021 0.000 2.083 32 L HA -0.124 4.217 4.340 0.001 0.000 0.209 32 L C 2.505 179.395 176.870 0.033 0.000 1.083 32 L CA 1.154 56.007 54.840 0.020 0.000 0.752 32 L CB -0.731 41.340 42.059 0.020 0.000 0.899 32 L HN 0.222 nan 8.230 nan 0.000 0.433 33 V N -0.080 119.857 119.914 0.037 0.000 2.867 33 V HA -0.249 3.871 4.120 0.001 0.000 0.260 33 V C 1.851 177.978 176.094 0.055 0.000 1.099 33 V CA 1.645 63.973 62.300 0.047 0.000 1.122 33 V CB -0.243 31.599 31.823 0.032 0.000 0.708 33 V HN 0.559 nan 8.190 nan 0.000 0.490 34 Q N -2.054 117.773 119.800 0.045 0.000 2.246 34 Q HA 0.135 4.476 4.340 0.001 0.000 0.202 34 Q C 1.363 177.396 176.000 0.055 0.000 0.883 34 Q CA 0.184 56.016 55.803 0.048 0.000 0.952 34 Q CB 0.323 29.081 28.738 0.032 0.000 1.078 34 Q HN 0.639 nan 8.270 nan 0.000 0.493 35 C N 0.337 119.671 119.300 0.057 0.000 2.974 35 C HA 0.241 4.701 4.460 0.001 0.000 0.282 35 C C 0.482 175.482 174.990 0.017 0.000 1.292 35 C CA -0.849 58.182 59.018 0.022 0.000 1.710 35 C CB -1.179 26.551 27.740 -0.017 0.000 2.036 35 C HN 0.434 nan 8.230 nan 0.000 0.629 36 F N 1.534 121.469 119.950 -0.025 0.000 2.602 36 F HA 0.408 4.935 4.527 0.001 0.000 0.385 36 F C 1.433 177.217 175.800 -0.027 0.000 1.063 36 F CA 1.964 59.947 58.000 -0.028 0.000 1.233 36 F CB 0.417 39.405 39.000 -0.021 0.000 1.067 36 F HN 0.475 nan 8.300 nan 0.000 0.564 37 G N 3.987 112.444 108.800 -0.571 0.000 2.189 37 G HA2 -0.285 3.675 3.960 0.001 0.000 0.267 37 G HA3 -0.285 3.675 3.960 0.001 0.000 0.267 37 G C 0.513 175.338 174.900 -0.125 0.000 0.975 37 G CA -0.015 44.934 45.100 -0.252 0.000 0.644 37 G HN 0.609 nan 8.290 nan 0.000 0.537 38 R N -0.235 120.195 120.500 -0.116 0.000 2.577 38 R HA 0.588 4.928 4.340 0.001 0.000 0.269 38 R C 0.483 176.729 176.300 -0.091 0.000 1.084 38 R CA -0.777 55.280 56.100 -0.070 0.000 1.163 38 R CB 0.418 30.693 30.300 -0.041 0.000 1.100 38 R HN 0.172 nan 8.270 nan 0.000 0.547 39 I N 2.576 123.111 120.570 -0.058 0.000 2.339 39 I HA 0.129 4.299 4.170 0.001 0.000 0.290 39 I C 0.146 176.241 176.117 -0.038 0.000 0.994 39 I CA -1.452 59.816 61.300 -0.054 0.000 1.191 39 I CB 0.837 38.816 38.000 -0.035 0.000 1.343 39 I HN 0.223 nan 8.210 nan 0.000 0.458 40 L N 5.608 126.806 121.223 -0.042 0.000 2.559 40 L HA 0.032 4.372 4.340 0.001 0.000 0.274 40 L C 1.387 178.256 176.870 -0.002 0.000 1.205 40 L CA 0.630 55.459 54.840 -0.018 0.000 0.907 40 L CB 0.680 42.736 42.059 -0.005 0.000 1.153 40 L HN 0.800 nan 8.230 nan 0.000 0.490 41 A N 2.905 125.728 122.820 0.004 0.000 1.975 41 A HA 0.159 4.480 4.320 0.001 0.000 0.215 41 A C 0.858 178.451 177.584 0.015 0.000 1.170 41 A CA 0.773 52.816 52.037 0.009 0.000 0.656 41 A CB -0.028 18.978 19.000 0.010 0.000 0.821 41 A HN 0.674 nan 8.150 nan 0.000 0.449 42 S N 0.275 115.986 115.700 0.019 0.000 2.570 42 S HA 0.440 4.910 4.470 0.001 0.000 0.286 42 S C -1.521 173.099 174.600 0.033 0.000 1.099 42 S CA -0.941 57.272 58.200 0.023 0.000 0.913 42 S CB 1.302 64.514 63.200 0.021 0.000 1.085 42 S HN 0.284 nan 8.310 nan 0.000 0.480 43 D N 1.542 121.961 120.400 0.032 0.000 2.571 43 D HA 0.089 4.730 4.640 0.001 0.000 0.231 43 D C -0.354 175.975 176.300 0.048 0.000 1.133 43 D CA 0.403 54.427 54.000 0.040 0.000 0.862 43 D CB 0.367 41.181 40.800 0.022 0.000 1.179 43 D HN 0.164 nan 8.370 nan 0.000 0.474 44 V N 3.861 123.821 119.914 0.077 0.000 2.389 44 V HA 0.114 4.234 4.120 0.001 0.000 0.264 44 V C 0.267 176.379 176.094 0.030 0.000 1.049 44 V CA -0.471 61.876 62.300 0.080 0.000 0.932 44 V CB 1.171 33.098 31.823 0.172 0.000 1.011 44 V HN 0.212 nan 8.190 nan 0.000 0.475 45 V N 4.553 124.478 119.914 0.017 0.000 2.394 45 V HA 0.321 4.441 4.120 0.001 0.000 0.282 45 V C 0.562 176.654 176.094 -0.003 0.000 1.031 45 V CA -0.303 61.995 62.300 -0.004 0.000 0.881 45 V CB 1.853 33.675 31.823 -0.001 0.000 0.982 45 V HN 0.826 nan 8.190 nan 0.000 0.451 46 S N 6.435 122.123 115.700 -0.020 0.000 2.510 46 S HA 0.246 4.717 4.470 0.001 0.000 0.279 46 S C -1.105 173.492 174.600 -0.004 0.000 1.284 46 S CA -0.936 57.255 58.200 -0.014 0.000 1.059 46 S CB 0.927 64.108 63.200 -0.031 0.000 0.901 46 S HN 0.716 nan 8.310 nan 0.000 0.491 47 P HA 0.216 nan 4.420 nan 0.000 0.245 47 P C -0.454 176.852 177.300 0.009 0.000 1.206 47 P CA 0.368 63.473 63.100 0.008 0.000 0.781 47 P CB 0.117 31.826 31.700 0.014 0.000 0.994 48 L N -0.638 120.588 121.223 0.005 0.000 2.371 48 L HA 0.443 4.784 4.340 0.001 0.000 0.262 48 L C -0.225 176.642 176.870 -0.004 0.000 1.006 48 L CA -1.182 53.663 54.840 0.008 0.000 0.818 48 L CB 1.730 43.798 42.059 0.015 0.000 1.354 48 L HN -0.363 nan 8.230 nan 0.000 0.415 49 D N 1.308 121.708 120.400 -0.001 0.000 2.424 49 D HA 0.333 4.973 4.640 0.001 0.000 0.244 49 D C -0.663 175.619 176.300 -0.030 0.000 1.134 49 D CA 0.251 54.243 54.000 -0.014 0.000 0.881 49 D CB 1.761 42.558 40.800 -0.004 0.000 1.191 49 D HN 0.011 nan 8.370 nan 0.000 0.445 50 V N 4.602 124.488 119.914 -0.046 0.000 2.525 50 V HA 0.290 4.411 4.120 0.001 0.000 0.299 50 V C -2.241 173.804 176.094 -0.083 0.000 1.034 50 V CA -1.736 60.522 62.300 -0.070 0.000 0.863 50 V CB 2.126 33.916 31.823 -0.055 0.000 0.999 50 V HN 0.416 nan 8.190 nan 0.000 0.423 51 P HA 0.143 nan 4.420 nan 0.000 0.269 51 P C 0.918 178.108 177.300 -0.184 0.000 1.215 51 P CA 0.108 63.078 63.100 -0.216 0.000 0.780 51 P CB 0.840 32.355 31.700 -0.309 0.000 0.898 52 G N 0.601 109.277 108.800 -0.206 0.000 2.920 52 G HA2 0.237 4.198 3.960 0.001 0.000 0.208 52 G HA3 0.237 4.198 3.960 0.001 0.000 0.208 52 G C -0.254 174.702 174.900 0.093 0.000 1.159 52 G CA 0.086 45.166 45.100 -0.033 0.000 0.784 52 G HN 0.571 nan 8.290 nan 0.000 0.535 53 F N -1.980 117.980 119.950 0.017 0.000 2.665 53 F HA 0.489 5.016 4.527 0.000 0.000 0.308 53 F C -1.590 174.219 175.800 0.016 0.000 1.112 53 F CA -2.451 55.560 58.000 0.019 0.000 0.972 53 F CB 0.425 39.440 39.000 0.024 0.000 1.295 53 F HN -0.281 nan 8.300 nan 0.000 0.440 54 D N 2.656 123.199 120.400 0.238 0.000 2.520 54 D HA 0.197 4.838 4.640 0.001 0.000 0.243 54 D C -0.446 176.005 176.300 0.252 0.000 1.160 54 D CA 1.031 55.126 54.000 0.158 0.000 0.877 54 D CB 0.215 41.093 40.800 0.130 0.000 1.150 54 D HN 0.813 nan 8.370 nan 0.000 0.494 55 N N -0.926 117.851 118.700 0.127 0.000 2.357 55 N HA 0.350 5.090 4.740 0.001 0.000 0.284 55 N C -1.107 174.445 175.510 0.070 0.000 1.236 55 N CA -1.015 52.132 53.050 0.162 0.000 0.774 55 N CB 1.458 40.026 38.487 0.136 0.000 1.534 55 N HN 0.048 nan 8.380 nan 0.000 0.478 56 S N -0.400 115.339 115.700 0.065 0.000 2.531 56 S HA 0.404 4.874 4.470 0.001 0.000 0.279 56 S C 1.063 175.673 174.600 0.016 0.000 1.305 56 S CA -0.189 58.027 58.200 0.026 0.000 1.058 56 S CB 0.097 63.299 63.200 0.003 0.000 0.899 56 S HN 0.734 nan 8.310 nan 0.000 0.493 57 A N 5.560 128.386 122.820 0.010 0.000 2.119 57 A HA 0.246 4.567 4.320 0.001 0.000 0.217 57 A C 0.793 178.380 177.584 0.006 0.000 1.153 57 A CA 0.760 52.800 52.037 0.005 0.000 0.692 57 A CB -0.302 18.701 19.000 0.006 0.000 0.799 57 A HN 0.848 nan 8.150 nan 0.000 0.458 58 M N -1.808 117.794 119.600 0.003 0.000 2.813 58 M HA 0.367 4.847 4.480 0.001 0.000 0.270 58 M C -2.016 174.270 176.300 -0.023 0.000 1.267 58 M CA -1.080 54.218 55.300 -0.003 0.000 0.822 58 M CB 0.671 33.273 32.600 0.003 0.000 1.671 58 M HN -0.182 nan 8.290 nan 0.000 0.468 59 D N 1.092 121.472 120.400 -0.033 0.000 2.425 59 D HA 0.607 5.248 4.640 0.001 0.000 0.247 59 D C 0.494 176.733 176.300 -0.102 0.000 1.147 59 D CA 0.960 54.915 54.000 -0.075 0.000 0.879 59 D CB 1.138 41.900 40.800 -0.063 0.000 1.179 59 D HN 0.855 nan 8.370 nan 0.000 0.456 60 G N 0.737 109.411 108.800 -0.209 0.000 2.591 60 G HA2 0.160 4.120 3.960 0.001 0.000 0.104 60 G HA3 0.160 4.120 3.960 0.001 0.000 0.104 60 G C -1.782 172.789 174.900 -0.550 0.000 1.097 60 G CA -0.709 44.214 45.100 -0.295 0.000 1.076 60 G HN 0.338 nan 8.290 nan 0.000 0.485 61 Y N 0.802 121.138 120.300 0.060 0.000 2.421 61 Y HA 0.710 5.259 4.550 -0.000 0.000 0.339 61 Y C 0.456 176.365 175.900 0.015 0.000 0.996 61 Y CA -0.275 57.863 58.100 0.064 0.000 1.046 61 Y CB 2.352 40.969 38.460 0.261 0.000 1.226 61 Y HN 0.798 nan 8.280 nan 0.000 0.445 62 A N 3.101 125.962 122.820 0.068 0.000 2.366 62 A HA 0.732 5.052 4.320 0.001 0.000 0.272 62 A C -0.292 177.349 177.584 0.095 0.000 1.135 62 A CA -0.318 51.718 52.037 -0.001 0.000 0.804 62 A CB -0.022 18.873 19.000 -0.174 0.000 1.064 62 A HN 0.877 nan 8.150 nan 0.000 0.499 63 V N 0.544 120.538 119.914 0.134 0.000 3.160 63 V HA 0.787 4.907 4.120 0.001 0.000 0.310 63 V C -0.592 175.619 176.094 0.195 0.000 1.181 63 V CA -1.357 61.044 62.300 0.167 0.000 1.047 63 V CB 1.835 33.528 31.823 -0.217 0.000 1.068 63 V HN 0.897 nan 8.190 nan 0.000 0.441 64 R N 1.406 121.951 120.500 0.075 0.000 2.460 64 R HA 0.596 4.936 4.340 0.001 0.000 0.303 64 R C 0.693 176.943 176.300 -0.083 0.000 0.968 64 R CA -0.766 55.305 56.100 -0.047 0.000 0.889 64 R CB 2.015 32.200 30.300 -0.191 0.000 1.123 64 R HN 0.748 nan 8.270 nan 0.000 0.455 65 L N 1.783 122.965 121.223 -0.068 0.000 2.042 65 L HA -0.241 4.099 4.340 0.001 0.000 0.210 65 L C 2.471 179.301 176.870 -0.066 0.000 1.076 65 L CA 1.797 56.597 54.840 -0.067 0.000 0.749 65 L CB -0.530 41.503 42.059 -0.044 0.000 0.893 65 L HN 0.864 nan 8.230 nan 0.000 0.432 66 A N -0.094 122.684 122.820 -0.070 0.000 1.948 66 A HA -0.249 4.071 4.320 0.001 0.000 0.220 66 A C 1.887 179.430 177.584 -0.068 0.000 1.177 66 A CA 2.144 54.141 52.037 -0.067 0.000 0.636 66 A CB -0.467 18.486 19.000 -0.077 0.000 0.815 66 A HN 0.411 nan 8.150 nan 0.000 0.449 67 D N -0.240 120.108 120.400 -0.085 0.000 2.194 67 D HA -0.050 4.590 4.640 0.001 0.000 0.204 67 D C 1.886 178.163 176.300 -0.039 0.000 0.964 67 D CA 0.586 54.548 54.000 -0.063 0.000 0.846 67 D CB -0.222 40.538 40.800 -0.065 0.000 0.962 67 D HN 0.344 nan 8.370 nan 0.000 0.490 68 I N 1.596 122.120 120.570 -0.077 0.000 2.226 68 I HA -0.199 3.971 4.170 0.001 0.000 0.245 68 I C 2.505 178.615 176.117 -0.012 0.000 1.100 68 I CA 0.617 61.878 61.300 -0.065 0.000 1.374 68 I CB -1.060 36.861 38.000 -0.131 0.000 1.057 68 I HN -0.119 nan 8.210 nan 0.000 0.413 69 A N 0.686 123.491 122.820 -0.025 0.000 1.958 69 A HA -0.243 4.077 4.320 0.001 0.000 0.221 69 A C 2.518 180.100 177.584 -0.003 0.000 1.178 69 A CA 2.279 54.308 52.037 -0.014 0.000 0.642 69 A CB -0.831 18.155 19.000 -0.023 0.000 0.816 69 A HN 0.471 nan 8.150 nan 0.000 0.453 70 S N -1.506 114.192 115.700 -0.002 0.000 2.402 70 S HA 0.026 4.497 4.470 0.001 0.000 0.233 70 S C 1.894 176.504 174.600 0.016 0.000 1.030 70 S CA 1.699 59.902 58.200 0.005 0.000 1.003 70 S CB -0.672 62.533 63.200 0.008 0.000 0.813 70 S HN 1.809 nan 8.310 nan 0.000 0.477 71 G N 1.285 110.103 108.800 0.031 0.000 2.220 71 G HA2 -0.353 3.608 3.960 0.001 0.000 0.269 71 G HA3 -0.353 3.608 3.960 0.001 0.000 0.269 71 G C 0.081 175.004 174.900 0.039 0.000 0.977 71 G CA 0.647 45.769 45.100 0.037 0.000 0.634 71 G HN 0.728 nan 8.290 nan 0.000 0.539 72 Q N 0.737 120.560 119.800 0.038 0.000 2.306 72 Q HA 0.598 4.939 4.340 0.001 0.000 0.241 72 Q C -2.751 173.277 176.000 0.046 0.000 0.948 72 Q CA -1.912 53.909 55.803 0.030 0.000 0.886 72 Q CB 1.094 29.844 28.738 0.021 0.000 1.227 72 Q HN 0.227 nan 8.270 nan 0.000 0.457 73 P HA 0.131 nan 4.420 nan 0.000 0.271 73 P C -1.030 176.292 177.300 0.036 0.000 1.216 73 P CA 0.011 63.112 63.100 0.000 0.000 0.771 73 P CB 0.427 32.105 31.700 -0.036 0.000 0.864 74 L N 5.183 126.450 121.223 0.073 0.000 2.262 74 L HA 0.420 4.760 4.340 0.001 0.000 0.288 74 L C -2.203 174.705 176.870 0.063 0.000 1.035 74 L CA -2.527 52.381 54.840 0.114 0.000 0.820 74 L CB 1.047 43.251 42.059 0.241 0.000 1.204 74 L HN 0.147 nan 8.230 nan 0.000 0.424 75 P HA -0.011 nan 4.420 nan 0.000 0.267 75 P C -0.336 177.003 177.300 0.065 0.000 1.200 75 P CA -0.205 62.920 63.100 0.042 0.000 0.772 75 P CB 0.656 32.383 31.700 0.044 0.000 0.855 76 V N 2.986 122.924 119.914 0.040 0.000 2.405 76 V HA 0.149 4.270 4.120 0.001 0.000 0.264 76 V C 1.572 177.653 176.094 -0.022 0.000 1.048 76 V CA 0.530 62.847 62.300 0.028 0.000 0.966 76 V CB -0.043 31.802 31.823 0.037 0.000 1.015 76 V HN 0.696 nan 8.190 nan 0.000 0.477 77 A N 4.255 127.049 122.820 -0.042 0.000 2.014 77 A HA 0.465 4.785 4.320 0.001 0.000 0.218 77 A C 1.172 178.579 177.584 -0.296 0.000 1.163 77 A CA 1.271 53.267 52.037 -0.068 0.000 0.652 77 A CB -0.127 18.907 19.000 0.057 0.000 0.808 77 A HN 1.152 nan 8.150 nan 0.000 0.449 78 G N -1.630 106.834 108.800 -0.560 0.000 2.441 78 G HA2 0.493 4.454 3.960 0.001 0.000 0.294 78 G HA3 0.493 4.454 3.960 0.001 0.000 0.294 78 G C -1.634 172.850 174.900 -0.694 0.000 1.393 78 G CA -0.864 43.745 45.100 -0.818 0.000 0.796 78 G HN 0.159 nan 8.290 nan 0.000 0.494 79 K N -0.256 119.804 120.400 -0.566 0.000 2.318 79 K HA 0.738 5.058 4.320 0.001 0.000 0.249 79 K C -0.989 175.216 176.600 -0.658 0.000 0.942 79 K CA -0.794 55.131 56.287 -0.603 0.000 0.808 79 K CB 2.331 34.421 32.500 -0.683 0.000 1.189 79 K HN 0.360 nan 8.250 nan 0.000 0.428 80 S N 2.324 117.614 115.700 -0.682 0.000 2.659 80 S HA 0.571 5.042 4.470 0.001 0.000 0.312 80 S C -1.321 172.967 174.600 -0.520 0.000 1.114 80 S CA -0.745 57.169 58.200 -0.476 0.000 1.063 80 S CB 0.181 63.201 63.200 -0.299 0.000 0.996 80 S HN 0.407 nan 8.310 nan 0.000 0.478 81 F N 2.391 122.308 119.950 -0.054 0.000 2.470 81 F HA 0.677 5.203 4.527 -0.000 0.000 0.329 81 F C 0.881 176.667 175.800 -0.022 0.000 1.072 81 F CA -1.078 56.900 58.000 -0.037 0.000 0.989 81 F CB 1.040 40.025 39.000 -0.025 0.000 1.193 81 F HN 0.618 nan 8.300 nan 0.000 0.481 82 A N 1.273 124.207 122.820 0.191 0.000 2.540 82 A HA 0.397 4.717 4.320 0.001 0.000 0.239 82 A C 1.319 178.983 177.584 0.133 0.000 1.061 82 A CA 0.624 52.745 52.037 0.141 0.000 0.758 82 A CB -0.931 18.142 19.000 0.120 0.000 0.991 82 A HN 1.603 nan 8.150 nan 0.000 0.502 83 G N 0.714 109.577 108.800 0.105 0.000 2.257 83 G HA2 -0.298 3.662 3.960 0.001 0.000 0.267 83 G HA3 -0.298 3.662 3.960 0.001 0.000 0.267 83 G C 0.355 175.301 174.900 0.076 0.000 0.984 83 G CA 1.020 46.166 45.100 0.078 0.000 0.626 83 G HN 1.375 nan 8.290 nan 0.000 0.540 84 Q N 0.377 120.249 119.800 0.120 0.000 3.662 84 Q HA 0.393 4.734 4.340 0.001 0.000 0.237 84 Q C -2.828 173.235 176.000 0.104 0.000 0.895 84 Q CA -1.572 54.319 55.803 0.147 0.000 0.767 84 Q CB 1.668 30.538 28.738 0.221 0.000 1.469 84 Q HN 0.294 nan 8.270 nan 0.000 0.424 85 P HA -0.082 nan 4.420 nan 0.000 0.269 85 P C -1.172 175.922 177.300 -0.343 0.000 1.209 85 P CA 0.095 63.055 63.100 -0.234 0.000 0.776 85 P CB 0.282 31.767 31.700 -0.359 0.000 0.876 86 Y N 2.593 122.623 120.300 -0.450 0.000 2.377 86 Y HA 0.087 4.637 4.550 0.001 0.000 0.330 86 Y C 1.033 176.619 175.900 -0.523 0.000 1.108 86 Y CA 0.511 58.380 58.100 -0.385 0.000 1.308 86 Y CB 0.367 38.629 38.460 -0.330 0.000 1.216 86 Y HN 0.456 nan 8.280 nan 0.000 0.518 87 H N 3.943 122.621 119.070 -0.654 0.000 2.767 87 H HA 0.238 4.794 4.556 0.001 0.000 0.260 87 H C 0.721 175.649 175.328 -0.666 0.000 1.172 87 H CA 0.229 55.975 56.048 -0.504 0.000 1.048 87 H CB 0.359 29.972 29.762 -0.248 0.000 1.697 87 H HN 0.864 nan 8.280 nan 0.000 0.606 88 G N 0.991 108.988 108.800 -1.338 0.000 2.588 88 G HA2 0.203 4.163 3.960 0.001 0.000 0.278 88 G HA3 0.203 4.163 3.960 0.001 0.000 0.278 88 G C 0.090 174.846 174.900 -0.240 0.000 1.307 88 G CA -0.602 44.095 45.100 -0.672 0.000 1.016 88 G HN 0.352 nan 8.290 nan 0.000 0.503 89 E N -1.401 118.854 120.200 0.093 0.000 2.383 89 E HA 0.129 4.479 4.350 0.001 0.000 0.264 89 E C -1.176 175.686 176.600 0.437 0.000 1.050 89 E CA -0.670 55.855 56.400 0.208 0.000 0.896 89 E CB 1.147 30.938 29.700 0.151 0.000 0.982 89 E HN 0.345 nan 8.360 nan 0.000 0.424 90 W N 4.997 126.404 121.300 0.177 0.000 2.406 90 W HA 0.385 5.045 4.660 0.001 0.000 0.308 90 W C -2.654 173.918 176.519 0.087 0.000 0.965 90 W CA -3.139 54.308 57.345 0.169 0.000 1.589 90 W CB 0.141 29.699 29.460 0.163 0.000 1.417 90 W HN 0.503 nan 8.180 nan 0.000 0.415 91 P HA 0.278 nan 4.420 nan 0.000 0.272 91 P C -0.215 177.012 177.300 -0.121 0.000 1.223 91 P CA -0.151 62.971 63.100 0.037 0.000 0.784 91 P CB 0.697 32.446 31.700 0.080 0.000 0.923 92 A N 1.806 124.539 122.820 -0.145 0.000 2.587 92 A HA 0.367 4.688 4.320 0.001 0.000 0.233 92 A C 1.427 178.956 177.584 -0.093 0.000 1.049 92 A CA 0.723 52.659 52.037 -0.168 0.000 0.754 92 A CB -1.424 17.509 19.000 -0.112 0.000 0.977 92 A HN 0.980 nan 8.150 nan 0.000 0.509 93 G N 1.324 110.068 108.800 -0.093 0.000 2.176 93 G HA2 -0.030 3.931 3.960 0.001 0.000 0.252 93 G HA3 -0.030 3.931 3.960 0.001 0.000 0.252 93 G C 0.374 175.303 174.900 0.048 0.000 1.024 93 G CA 1.287 46.377 45.100 -0.017 0.000 0.755 93 G HN 2.513 nan 8.290 nan 0.000 0.507 94 T N -3.164 111.447 114.554 0.095 0.000 2.887 94 T HA 0.772 5.122 4.350 0.001 0.000 0.292 94 T C 0.396 175.364 174.700 0.447 0.000 1.087 94 T CA -0.169 62.072 62.100 0.235 0.000 1.009 94 T CB 2.558 71.587 68.868 0.270 0.000 1.203 94 T HN 1.662 nan 8.240 nan 0.000 0.518 95 C N 0.214 119.739 119.300 0.374 0.000 2.913 95 C HA 0.903 5.364 4.460 0.001 0.000 0.322 95 C C -0.715 174.309 174.990 0.056 0.000 1.292 95 C CA -1.195 58.034 59.018 0.351 0.000 1.649 95 C CB -0.053 27.886 27.740 0.331 0.000 2.139 95 C HN 0.986 nan 8.230 nan 0.000 0.475 96 I N 2.063 122.551 120.570 -0.138 0.000 2.410 96 I HA 0.395 4.566 4.170 0.001 0.000 0.286 96 I C 0.268 176.263 176.117 -0.204 0.000 1.009 96 I CA -0.423 60.646 61.300 -0.386 0.000 1.111 96 I CB 1.173 38.702 38.000 -0.784 0.000 1.262 96 I HN 0.656 nan 8.210 nan 0.000 0.443 97 R N 5.969 126.342 120.500 -0.213 0.000 2.484 97 R HA 0.405 4.745 4.340 0.001 0.000 0.293 97 R C -0.700 175.371 176.300 -0.381 0.000 1.023 97 R CA 0.236 56.140 56.100 -0.327 0.000 1.037 97 R CB 0.831 30.944 30.300 -0.313 0.000 0.951 97 R HN 0.553 nan 8.270 nan 0.000 0.418 98 I N 3.115 123.475 120.570 -0.350 0.000 2.686 98 I HA 0.304 4.474 4.170 0.001 0.000 0.295 98 I C -0.967 175.028 176.117 -0.203 0.000 1.114 98 I CA -0.893 60.244 61.300 -0.271 0.000 1.038 98 I CB 1.882 39.761 38.000 -0.202 0.000 1.238 98 I HN 0.379 nan 8.210 nan 0.000 0.420 99 M N 4.066 123.583 119.600 -0.139 0.000 2.598 99 M HA 0.360 4.840 4.480 0.001 0.000 0.317 99 M C 0.081 176.374 176.300 -0.013 0.000 1.201 99 M CA -0.623 54.646 55.300 -0.052 0.000 0.971 99 M CB 1.023 33.642 32.600 0.032 0.000 1.657 99 M HN 0.500 nan 8.290 nan 0.000 0.470 100 T N 2.155 116.710 114.554 0.002 0.000 2.849 100 T HA 0.284 4.634 4.350 0.001 0.000 0.289 100 T C 1.184 175.909 174.700 0.041 0.000 1.010 100 T CA 1.779 63.888 62.100 0.016 0.000 1.161 100 T CB -0.068 68.809 68.868 0.015 0.000 0.989 100 T HN 0.950 nan 8.240 nan 0.000 0.523 101 G N 2.040 110.872 108.800 0.053 0.000 2.217 101 G HA2 -0.101 3.860 3.960 0.001 0.000 0.246 101 G HA3 -0.101 3.860 3.960 0.001 0.000 0.246 101 G C 0.326 175.333 174.900 0.180 0.000 0.990 101 G CA -0.016 45.138 45.100 0.090 0.000 0.627 101 G HN 1.189 nan 8.290 nan 0.000 0.522 102 A N 1.186 124.083 122.820 0.129 0.000 2.386 102 A HA 0.670 4.991 4.320 0.001 0.000 0.248 102 A C -1.778 175.911 177.584 0.175 0.000 1.082 102 A CA -0.589 51.517 52.037 0.116 0.000 0.789 102 A CB 0.230 19.234 19.000 0.006 0.000 1.025 102 A HN 0.195 nan 8.150 nan 0.000 0.490 103 P HA 0.246 nan 4.420 nan 0.000 0.271 103 P C -0.093 177.215 177.300 0.014 0.000 1.216 103 P CA -0.178 62.963 63.100 0.069 0.000 0.771 103 P CB 0.592 32.117 31.700 -0.292 0.000 0.864 104 V N 1.827 121.779 119.914 0.063 0.000 2.811 104 V HA 0.354 4.475 4.120 0.001 0.000 0.302 104 V C -2.043 174.042 176.094 -0.016 0.000 1.063 104 V CA -1.806 60.495 62.300 0.002 0.000 1.088 104 V CB -0.458 31.390 31.823 0.041 0.000 0.982 104 V HN 0.438 nan 8.190 nan 0.000 0.485 105 P HA 0.241 nan 4.420 nan 0.000 0.272 105 P C -0.371 177.018 177.300 0.150 0.000 1.223 105 P CA -0.253 62.827 63.100 -0.034 0.000 0.784 105 P CB 0.420 31.956 31.700 -0.273 0.000 0.923 106 E N 0.351 120.666 120.200 0.192 0.000 2.529 106 E HA 0.254 4.605 4.350 0.001 0.000 0.259 106 E C 1.469 178.261 176.600 0.319 0.000 0.966 106 E CA 2.085 58.610 56.400 0.208 0.000 0.937 106 E CB -0.645 29.154 29.700 0.166 0.000 0.923 106 E HN 0.758 nan 8.360 nan 0.000 0.468 107 G N 2.598 111.532 108.800 0.222 0.000 2.217 107 G HA2 -0.335 3.626 3.960 0.001 0.000 0.246 107 G HA3 -0.335 3.626 3.960 0.001 0.000 0.246 107 G C 0.528 175.582 174.900 0.257 0.000 0.990 107 G CA -0.109 45.098 45.100 0.178 0.000 0.627 107 G HN 0.772 nan 8.290 nan 0.000 0.522 108 C N 1.288 120.835 119.300 0.410 0.000 2.648 108 C HA 0.592 5.052 4.460 0.001 0.000 0.419 108 C C 1.624 176.713 174.990 0.166 0.000 1.352 108 C CA 0.951 60.181 59.018 0.352 0.000 1.816 108 C CB 0.111 27.979 27.740 0.213 0.000 2.598 108 C HN 0.558 nan 8.230 nan 0.000 0.598 109 E N 2.591 122.865 120.200 0.123 0.000 2.514 109 E HA 0.377 4.728 4.350 0.001 0.000 0.215 109 E C 0.222 176.846 176.600 0.040 0.000 0.946 109 E CA 0.267 56.703 56.400 0.060 0.000 1.038 109 E CB 0.794 30.511 29.700 0.028 0.000 1.069 109 E HN 0.827 nan 8.360 nan 0.000 0.503 110 A N 0.277 123.123 122.820 0.043 0.000 2.601 110 A HA 0.573 4.894 4.320 0.001 0.000 0.291 110 A C -1.583 176.014 177.584 0.023 0.000 1.075 110 A CA -0.559 51.490 52.037 0.020 0.000 0.671 110 A CB 1.555 20.549 19.000 -0.009 0.000 1.277 110 A HN -0.040 nan 8.150 nan 0.000 0.417 111 V N 1.066 120.995 119.914 0.026 0.000 2.487 111 V HA 0.515 4.635 4.120 0.001 0.000 0.298 111 V C -0.572 175.563 176.094 0.068 0.000 1.028 111 V CA -0.537 61.788 62.300 0.042 0.000 0.860 111 V CB 1.647 33.486 31.823 0.027 0.000 0.991 111 V HN 0.751 nan 8.190 nan 0.000 0.427 112 V N 6.287 126.281 119.914 0.133 0.000 2.370 112 V HA 0.391 4.511 4.120 0.001 0.000 0.279 112 V C 0.491 176.729 176.094 0.240 0.000 1.029 112 V CA -0.561 61.863 62.300 0.205 0.000 0.870 112 V CB 1.402 33.424 31.823 0.331 0.000 0.984 112 V HN 0.972 nan 8.190 nan 0.000 0.451 113 M N 4.167 123.860 119.600 0.155 0.000 2.250 113 M HA 0.229 4.709 4.480 0.001 0.000 0.325 113 M C 1.309 177.711 176.300 0.170 0.000 1.084 113 M CA -0.002 55.371 55.300 0.121 0.000 1.161 113 M CB 0.460 33.103 32.600 0.073 0.000 1.481 113 M HN 0.690 nan 8.290 nan 0.000 0.449 114 Q N 1.647 121.526 119.800 0.132 0.000 2.135 114 Q HA -0.209 4.131 4.340 0.001 0.000 0.204 114 Q C 1.181 177.245 176.000 0.108 0.000 0.981 114 Q CA 2.283 58.185 55.803 0.166 0.000 0.856 114 Q CB -0.952 27.844 28.738 0.096 0.000 0.902 114 Q HN 0.902 nan 8.270 nan 0.000 0.425 115 E N 1.598 121.843 120.200 0.075 0.000 2.171 115 E HA -0.166 4.185 4.350 0.001 0.000 0.197 115 E C 0.988 177.618 176.600 0.050 0.000 0.997 115 E CA 1.309 57.740 56.400 0.050 0.000 0.810 115 E CB -0.126 29.599 29.700 0.042 0.000 0.738 115 E HN 0.552 nan 8.360 nan 0.000 0.467 116 Q N 0.534 120.380 119.800 0.078 0.000 2.296 116 Q HA 0.148 4.488 4.340 0.001 0.000 0.273 116 Q C -0.506 175.526 176.000 0.054 0.000 0.900 116 Q CA 0.041 55.889 55.803 0.075 0.000 0.993 116 Q CB 0.370 29.170 28.738 0.102 0.000 1.132 116 Q HN 0.162 nan 8.270 nan 0.000 0.439 117 T N -2.417 112.126 114.554 -0.019 0.000 2.903 117 T HA 0.550 4.901 4.350 0.001 0.000 0.299 117 T C -0.819 173.783 174.700 -0.164 0.000 1.093 117 T CA -1.049 60.935 62.100 -0.194 0.000 1.002 117 T CB 2.244 70.894 68.868 -0.363 0.000 1.127 117 T HN 0.287 nan 8.240 nan 0.000 0.488 118 E N 1.225 121.290 120.200 -0.224 0.000 2.256 118 E HA 0.454 4.804 4.350 0.001 0.000 0.267 118 E C -0.720 175.758 176.600 -0.204 0.000 0.892 118 E CA -1.128 55.173 56.400 -0.164 0.000 0.775 118 E CB 1.341 30.980 29.700 -0.102 0.000 1.207 118 E HN 0.399 nan 8.360 nan 0.000 0.420 119 Q N 2.531 122.248 119.800 -0.137 0.000 2.311 119 Q HA 0.140 4.481 4.340 0.001 0.000 0.272 119 Q C -0.405 175.538 176.000 -0.095 0.000 1.012 119 Q CA 0.408 56.142 55.803 -0.115 0.000 0.891 119 Q CB 0.782 29.481 28.738 -0.065 0.000 1.201 119 Q HN 0.592 nan 8.270 nan 0.000 0.391 120 M N 1.710 121.252 119.600 -0.097 0.000 2.664 120 M HA 0.193 4.673 4.480 0.001 0.000 0.314 120 M C -0.247 176.023 176.300 -0.051 0.000 1.200 120 M CA -1.174 54.083 55.300 -0.071 0.000 0.916 120 M CB 1.304 33.857 32.600 -0.079 0.000 1.717 120 M HN 0.396 nan 8.290 nan 0.000 0.470 121 D N 1.051 121.430 120.400 -0.036 0.000 2.688 121 D HA 0.164 4.805 4.640 0.001 0.000 0.228 121 D C 0.464 176.751 176.300 -0.021 0.000 1.116 121 D CA -0.040 53.946 54.000 -0.024 0.000 1.023 121 D CB -0.714 40.076 40.800 -0.017 0.000 1.100 121 D HN 0.847 nan 8.370 nan 0.000 0.487 122 N N -0.601 118.085 118.700 -0.024 0.000 2.465 122 N HA -0.053 4.688 4.740 0.001 0.000 0.328 122 N C 0.558 176.054 175.510 -0.023 0.000 1.406 122 N CA -0.094 52.944 53.050 -0.019 0.000 2.699 122 N CB -0.370 38.107 38.487 -0.018 0.000 1.905 122 N HN 0.478 nan 8.380 nan 0.000 1.142 123 G N 0.489 109.261 108.800 -0.046 0.000 2.350 123 G HA2 0.328 4.289 3.960 0.001 0.000 0.276 123 G HA3 0.328 4.289 3.960 0.001 0.000 0.276 123 G C -2.224 172.587 174.900 -0.148 0.000 1.313 123 G CA -0.025 45.035 45.100 -0.067 0.000 0.903 123 G HN 0.387 nan 8.290 nan 0.000 0.490 124 V N 0.777 120.553 119.914 -0.229 0.000 2.487 124 V HA 0.649 4.770 4.120 0.001 0.000 0.298 124 V C 0.376 176.142 176.094 -0.547 0.000 1.028 124 V CA -0.753 61.251 62.300 -0.494 0.000 0.860 124 V CB 1.597 32.901 31.823 -0.864 0.000 0.991 124 V HN 0.732 nan 8.190 nan 0.000 0.427 125 R N 2.778 122.973 120.500 -0.509 0.000 2.357 125 R HA 0.535 4.876 4.340 0.001 0.000 0.296 125 R C -1.411 174.493 176.300 -0.660 0.000 1.052 125 R CA -0.348 55.516 56.100 -0.392 0.000 0.988 125 R CB 0.905 31.087 30.300 -0.197 0.000 1.025 125 R HN 0.564 nan 8.270 nan 0.000 0.469 126 F N 1.082 120.991 119.950 -0.068 0.000 2.404 126 F HA 0.172 4.700 4.527 0.002 0.000 0.354 126 F C 1.509 177.295 175.800 -0.024 0.000 1.122 126 F CA -0.498 57.474 58.000 -0.047 0.000 1.080 126 F CB 1.992 40.971 39.000 -0.036 0.000 1.131 126 F HN 0.526 nan 8.300 nan 0.000 0.471 127 T N -0.688 113.912 114.554 0.076 0.000 3.086 127 T HA 0.610 4.961 4.350 0.001 0.000 0.250 127 T C 0.452 175.187 174.700 0.058 0.000 1.074 127 T CA 0.140 62.266 62.100 0.043 0.000 0.988 127 T CB 0.073 68.943 68.868 0.004 0.000 0.988 127 T HN 0.527 nan 8.240 nan 0.000 0.530 128 A N 0.686 123.558 122.820 0.086 0.000 2.435 128 A HA 0.745 5.065 4.320 0.001 0.000 0.296 128 A C -0.687 176.936 177.584 0.066 0.000 1.147 128 A CA -0.812 51.265 52.037 0.066 0.000 0.775 128 A CB 1.218 20.256 19.000 0.065 0.000 1.340 128 A HN 0.146 nan 8.150 nan 0.000 0.427 129 E N -0.187 120.040 120.200 0.044 0.000 2.414 129 E HA 0.379 4.730 4.350 0.001 0.000 0.263 129 E C -0.899 175.721 176.600 0.033 0.000 1.000 129 E CA 0.409 56.829 56.400 0.033 0.000 0.914 129 E CB 0.674 30.387 29.700 0.022 0.000 0.948 129 E HN 0.335 nan 8.360 nan 0.000 0.444 130 V N 5.514 125.438 119.914 0.017 0.000 2.334 130 V HA 0.366 4.487 4.120 0.001 0.000 0.281 130 V C 0.241 176.332 176.094 -0.005 0.000 1.016 130 V CA -0.753 61.547 62.300 -0.000 0.000 0.832 130 V CB 1.282 33.080 31.823 -0.042 0.000 0.999 130 V HN 0.523 nan 8.190 nan 0.000 0.439 131 R N 2.747 123.249 120.500 0.003 0.000 2.357 131 R HA 0.377 4.718 4.340 0.001 0.000 0.296 131 R C 0.549 176.849 176.300 0.001 0.000 1.052 131 R CA 0.103 56.205 56.100 0.003 0.000 0.988 131 R CB 1.114 31.419 30.300 0.008 0.000 1.025 131 R HN 0.765 nan 8.270 nan 0.000 0.469 132 S N 2.469 118.169 115.700 -0.000 0.000 2.596 132 S HA 0.192 4.663 4.470 0.001 0.000 0.298 132 S C 1.141 175.746 174.600 0.009 0.000 1.255 132 S CA 1.377 59.579 58.200 0.003 0.000 1.083 132 S CB -0.071 63.131 63.200 0.002 0.000 0.837 132 S HN 0.870 nan 8.310 nan 0.000 0.499 133 G N 3.317 112.125 108.800 0.014 0.000 2.205 133 G HA2 -0.295 3.666 3.960 0.001 0.000 0.261 133 G HA3 -0.295 3.666 3.960 0.001 0.000 0.261 133 G C 0.053 174.962 174.900 0.016 0.000 0.980 133 G CA 0.511 45.621 45.100 0.017 0.000 0.632 133 G HN 1.104 nan 8.290 nan 0.000 0.533 134 Q N -0.010 119.799 119.800 0.015 0.000 2.330 134 Q HA 0.400 4.741 4.340 0.001 0.000 0.279 134 Q C 0.720 176.732 176.000 0.021 0.000 1.024 134 Q CA 0.585 56.399 55.803 0.018 0.000 0.900 134 Q CB -0.125 28.624 28.738 0.019 0.000 1.221 134 Q HN 0.547 nan 8.270 nan 0.000 0.396 135 N N 0.872 119.585 118.700 0.020 0.000 2.714 135 N HA -0.195 4.546 4.740 0.001 0.000 0.250 135 N C -1.205 174.315 175.510 0.018 0.000 1.117 135 N CA 0.706 53.768 53.050 0.019 0.000 0.719 135 N CB -1.072 37.431 38.487 0.025 0.000 1.081 135 N HN 0.579 nan 8.380 nan 0.000 0.557 136 I N 1.133 121.713 120.570 0.018 0.000 2.389 136 I HA 0.269 4.440 4.170 0.001 0.000 0.288 136 I C 0.190 176.313 176.117 0.010 0.000 0.999 136 I CA -0.696 60.616 61.300 0.020 0.000 1.129 136 I CB 1.231 39.249 38.000 0.029 0.000 1.288 136 I HN -0.034 nan 8.210 nan 0.000 0.444 137 R N 6.427 126.928 120.500 0.001 0.000 2.234 137 R HA 0.450 4.791 4.340 0.001 0.000 0.324 137 R C -0.501 175.787 176.300 -0.019 0.000 1.054 137 R CA -0.852 55.237 56.100 -0.018 0.000 0.912 137 R CB 0.864 31.139 30.300 -0.041 0.000 1.030 137 R HN 0.429 nan 8.270 nan 0.000 0.455 138 R N 2.342 122.833 120.500 -0.015 0.000 2.410 138 R HA 0.164 4.504 4.340 0.001 0.000 0.288 138 R C 0.449 176.734 176.300 -0.026 0.000 1.051 138 R CA -0.855 55.242 56.100 -0.006 0.000 1.021 138 R CB 0.838 31.140 30.300 0.004 0.000 1.032 138 R HN 0.563 nan 8.270 nan 0.000 0.481 139 R N 0.528 121.020 120.500 -0.013 0.000 2.481 139 R HA -0.088 4.252 4.340 0.001 0.000 0.291 139 R C 0.703 176.992 176.300 -0.018 0.000 0.934 139 R CA 1.740 57.828 56.100 -0.019 0.000 1.116 139 R CB -0.181 30.136 30.300 0.028 0.000 0.895 139 R HN 0.906 nan 8.270 nan 0.000 0.410 140 G N 3.110 111.891 108.800 -0.032 0.000 2.179 140 G HA2 -0.390 3.570 3.960 0.001 0.000 0.260 140 G HA3 -0.390 3.570 3.960 0.001 0.000 0.260 140 G C 0.637 175.520 174.900 -0.029 0.000 0.977 140 G CA 0.638 45.722 45.100 -0.027 0.000 0.641 140 G HN 0.869 nan 8.290 nan 0.000 0.533 141 E N -0.035 120.146 120.200 -0.032 0.000 2.204 141 E HA -0.089 4.261 4.350 0.001 0.000 0.194 141 E C 1.947 178.527 176.600 -0.033 0.000 0.989 141 E CA 1.238 57.621 56.400 -0.029 0.000 0.824 141 E CB -0.195 29.490 29.700 -0.025 0.000 0.756 141 E HN 0.449 nan 8.360 nan 0.000 0.477 142 N N 0.421 119.096 118.700 -0.041 0.000 2.349 142 N HA 0.221 4.961 4.740 0.001 0.000 0.180 142 N C 0.198 175.677 175.510 -0.052 0.000 1.024 142 N CA 0.724 53.748 53.050 -0.043 0.000 0.869 142 N CB 0.734 39.194 38.487 -0.045 0.000 1.022 142 N HN 0.162 nan 8.380 nan 0.000 0.433 143 I N 0.105 120.644 120.570 -0.052 0.000 2.610 143 I HA 0.175 4.346 4.170 0.001 0.000 0.289 143 I C -0.948 175.142 176.117 -0.045 0.000 1.163 143 I CA -0.495 60.770 61.300 -0.058 0.000 1.044 143 I CB 2.371 40.331 38.000 -0.067 0.000 1.251 143 I HN -0.239 nan 8.210 nan 0.000 0.424 144 S N 4.065 119.740 115.700 -0.042 0.000 2.537 144 S HA 0.603 5.074 4.470 0.001 0.000 0.275 144 S C 0.398 174.981 174.600 -0.028 0.000 1.272 144 S CA -0.687 57.495 58.200 -0.030 0.000 1.050 144 S CB 1.508 64.692 63.200 -0.026 0.000 0.961 144 S HN 0.705 nan 8.310 nan 0.000 0.496 145 A N 2.100 124.910 122.820 -0.017 0.000 2.520 145 A HA 0.497 4.818 4.320 0.001 0.000 0.235 145 A C 1.575 179.151 177.584 -0.014 0.000 1.065 145 A CA 0.320 52.350 52.037 -0.012 0.000 0.764 145 A CB -0.932 18.066 19.000 -0.002 0.000 1.002 145 A HN 1.845 nan 8.150 nan 0.000 0.502 146 G N 0.250 109.043 108.800 -0.013 0.000 2.267 146 G HA2 0.104 4.065 3.960 0.001 0.000 0.257 146 G HA3 0.104 4.065 3.960 0.001 0.000 0.257 146 G C 0.688 175.575 174.900 -0.022 0.000 0.998 146 G CA 0.711 45.803 45.100 -0.013 0.000 0.620 146 G HN 2.239 nan 8.290 nan 0.000 0.529 147 A N 0.079 122.879 122.820 -0.033 0.000 2.332 147 A HA 0.720 5.040 4.320 0.001 0.000 0.258 147 A C 0.848 178.398 177.584 -0.057 0.000 1.087 147 A CA 0.390 52.400 52.037 -0.045 0.000 0.802 147 A CB 0.825 19.791 19.000 -0.058 0.000 1.042 147 A HN 1.856 nan 8.150 nan 0.000 0.489 148 V N 1.876 121.753 119.914 -0.062 0.000 2.432 148 V HA 0.394 4.514 4.120 0.001 0.000 0.271 148 V C 0.746 176.754 176.094 -0.142 0.000 1.046 148 V CA -0.154 62.103 62.300 -0.070 0.000 0.945 148 V CB 0.372 32.170 31.823 -0.041 0.000 0.992 148 V HN 0.608 nan 8.190 nan 0.000 0.471 149 V N 4.252 124.041 119.914 -0.207 0.000 2.426 149 V HA 0.268 4.389 4.120 0.001 0.000 0.242 149 V C 0.517 176.136 176.094 -0.792 0.000 1.036 149 V CA 1.092 63.103 62.300 -0.482 0.000 1.044 149 V CB -0.484 31.052 31.823 -0.478 0.000 0.688 149 V HN 0.754 nan 8.190 nan 0.000 0.462 150 F N 1.325 121.268 119.950 -0.012 0.000 2.529 150 F HA 0.570 5.097 4.527 0.001 0.000 0.320 150 F C -2.561 173.230 175.800 -0.014 0.000 1.118 150 F CA -2.586 55.405 58.000 -0.016 0.000 0.915 150 F CB 1.891 40.879 39.000 -0.020 0.000 1.161 150 F HN -0.074 nan 8.300 nan 0.000 0.445 151 P HA 0.212 nan 4.420 nan 0.000 0.277 151 P C -0.661 176.685 177.300 0.076 0.000 1.240 151 P CA -0.351 62.797 63.100 0.079 0.000 0.798 151 P CB 0.947 32.678 31.700 0.050 0.000 0.979 152 A N 1.450 124.298 122.820 0.048 0.000 2.603 152 A HA 0.318 4.638 4.320 0.001 0.000 0.235 152 A C 1.511 179.108 177.584 0.021 0.000 1.035 152 A CA 1.135 53.190 52.037 0.030 0.000 0.755 152 A CB -1.692 17.321 19.000 0.022 0.000 0.954 152 A HN 0.956 nan 8.150 nan 0.000 0.511 153 G N 1.737 110.541 108.800 0.008 0.000 2.176 153 G HA2 -0.186 3.774 3.960 0.001 0.000 0.232 153 G HA3 -0.186 3.774 3.960 0.001 0.000 0.232 153 G C 0.417 175.308 174.900 -0.014 0.000 0.986 153 G CA 0.379 45.477 45.100 -0.003 0.000 0.643 153 G HN 1.271 nan 8.290 nan 0.000 0.522 154 T N 1.370 115.917 114.554 -0.011 0.000 2.834 154 T HA 0.415 4.765 4.350 0.001 0.000 0.298 154 T C 0.620 175.262 174.700 -0.097 0.000 0.966 154 T CA -0.000 62.076 62.100 -0.039 0.000 1.141 154 T CB 1.164 70.023 68.868 -0.015 0.000 0.905 154 T HN 0.504 nan 8.240 nan 0.000 0.535 155 R N 3.856 124.286 120.500 -0.116 0.000 2.267 155 R HA 0.280 4.621 4.340 0.001 0.000 0.319 155 R C -0.574 175.574 176.300 -0.252 0.000 1.067 155 R CA -0.529 55.475 56.100 -0.160 0.000 0.936 155 R CB 0.071 30.291 30.300 -0.134 0.000 1.006 155 R HN 0.576 nan 8.270 nan 0.000 0.452 156 L N 5.593 126.634 121.223 -0.302 0.000 2.315 156 L HA 0.251 4.591 4.340 0.001 0.000 0.283 156 L C 0.848 177.363 176.870 -0.593 0.000 1.089 156 L CA -0.198 54.410 54.840 -0.388 0.000 0.833 156 L CB 1.039 42.918 42.059 -0.301 0.000 1.170 156 L HN 0.842 nan 8.230 nan 0.000 0.442 157 T N -2.261 111.978 114.554 -0.525 0.000 2.678 157 T HA 0.243 4.593 4.350 0.001 0.000 0.260 157 T C 1.033 175.637 174.700 -0.161 0.000 0.932 157 T CA -0.288 61.445 62.100 -0.612 0.000 1.043 157 T CB 1.085 69.742 68.868 -0.352 0.000 1.413 157 T HN 0.372 nan 8.240 nan 0.000 0.568 158 T N 0.892 115.515 114.554 0.114 0.000 2.962 158 T HA 0.127 4.478 4.350 0.001 0.000 0.270 158 T C 2.216 176.936 174.700 0.034 0.000 1.088 158 T CA 1.060 63.238 62.100 0.130 0.000 1.127 158 T CB -0.779 68.194 68.868 0.174 0.000 0.883 158 T HN 0.739 nan 8.240 nan 0.000 0.493 159 A N 1.358 124.175 122.820 -0.006 0.000 1.969 159 A HA -0.048 4.273 4.320 0.001 0.000 0.218 159 A C 2.155 179.713 177.584 -0.043 0.000 1.169 159 A CA 1.319 53.351 52.037 -0.007 0.000 0.635 159 A CB -0.205 18.791 19.000 -0.007 0.000 0.810 159 A HN 0.411 nan 8.150 nan 0.000 0.445 160 E N -0.600 119.487 120.200 -0.189 0.000 2.206 160 E HA 0.203 4.553 4.350 0.001 0.000 0.195 160 E C 1.834 178.290 176.600 -0.240 0.000 0.935 160 E CA 0.213 56.361 56.400 -0.420 0.000 0.875 160 E CB -0.233 28.924 29.700 -0.905 0.000 0.841 160 E HN 0.490 nan 8.360 nan 0.000 0.477 161 L N 1.107 122.233 121.223 -0.162 0.000 2.046 161 L HA -0.087 4.254 4.340 0.001 0.000 0.208 161 L C -0.764 176.110 176.870 0.006 0.000 1.077 161 L CA 1.244 56.041 54.840 -0.073 0.000 0.747 161 L CB -1.154 40.879 42.059 -0.043 0.000 0.896 161 L HN 0.148 nan 8.230 nan 0.000 0.432 162 P HA -0.133 nan 4.420 nan 0.000 0.216 162 P C 1.904 179.245 177.300 0.069 0.000 1.150 162 P CA 1.099 64.226 63.100 0.046 0.000 0.837 162 P CB 0.044 31.771 31.700 0.045 0.000 0.786 163 V N -0.315 119.665 119.914 0.109 0.000 2.343 163 V HA -0.240 3.880 4.120 0.001 0.000 0.247 163 V C 2.350 178.543 176.094 0.165 0.000 1.051 163 V CA 1.630 64.027 62.300 0.161 0.000 1.036 163 V CB -1.138 30.861 31.823 0.293 0.000 0.654 163 V HN 0.057 nan 8.190 nan 0.000 0.451 164 I N 0.609 121.294 120.570 0.191 0.000 2.208 164 I HA -0.273 3.898 4.170 0.001 0.000 0.245 164 I C 2.613 178.780 176.117 0.084 0.000 1.097 164 I CA 1.606 62.996 61.300 0.151 0.000 1.363 164 I CB -0.533 37.536 38.000 0.116 0.000 1.051 164 I HN 0.298 nan 8.210 nan 0.000 0.413 165 A N 0.382 123.241 122.820 0.065 0.000 1.969 165 A HA -0.194 4.127 4.320 0.001 0.000 0.218 165 A C 2.444 180.054 177.584 0.044 0.000 1.169 165 A CA 1.804 53.869 52.037 0.047 0.000 0.635 165 A CB -0.730 18.294 19.000 0.040 0.000 0.810 165 A HN 0.524 nan 8.150 nan 0.000 0.445 166 S N -0.004 115.724 115.700 0.046 0.000 2.474 166 S HA -0.022 4.449 4.470 0.001 0.000 0.235 166 S C 1.551 176.166 174.600 0.025 0.000 0.997 166 S CA 1.200 59.419 58.200 0.031 0.000 0.949 166 S CB -0.633 62.582 63.200 0.025 0.000 0.766 166 S HN 0.488 nan 8.310 nan 0.000 0.517 167 L N 0.477 121.721 121.223 0.035 0.000 2.492 167 L HA 0.345 4.686 4.340 0.001 0.000 0.223 167 L C 1.961 178.850 176.870 0.030 0.000 1.132 167 L CA 0.362 55.218 54.840 0.028 0.000 0.850 167 L CB -0.897 41.181 42.059 0.032 0.000 0.966 167 L HN 0.559 nan 8.230 nan 0.000 0.454 168 G N 0.967 109.788 108.800 0.034 0.000 2.141 168 G HA2 -0.261 3.700 3.960 0.001 0.000 0.242 168 G HA3 -0.261 3.700 3.960 0.001 0.000 0.242 168 G C 0.168 175.087 174.900 0.032 0.000 0.982 168 G CA -0.311 44.809 45.100 0.033 0.000 0.662 168 G HN 0.278 nan 8.290 nan 0.000 0.527 169 I N 1.113 121.705 120.570 0.036 0.000 2.352 169 I HA 0.459 4.630 4.170 0.001 0.000 0.290 169 I C 1.575 177.711 176.117 0.032 0.000 1.036 169 I CA 0.155 61.475 61.300 0.034 0.000 1.336 169 I CB 1.479 39.504 38.000 0.041 0.000 1.407 169 I HN 0.145 nan 8.210 nan 0.000 0.497 170 A N 5.801 128.637 122.820 0.027 0.000 2.030 170 A HA 0.144 4.464 4.320 0.001 0.000 0.215 170 A C 0.539 178.136 177.584 0.022 0.000 1.164 170 A CA 0.750 52.801 52.037 0.024 0.000 0.697 170 A CB 0.065 19.078 19.000 0.022 0.000 0.827 170 A HN 0.786 nan 8.150 nan 0.000 0.457 171 E N -1.169 119.044 120.200 0.022 0.000 2.392 171 E HA 0.515 4.866 4.350 0.001 0.000 0.279 171 E C -1.415 175.197 176.600 0.019 0.000 0.964 171 E CA -0.851 55.560 56.400 0.019 0.000 0.777 171 E CB 2.284 31.994 29.700 0.017 0.000 1.249 171 E HN 0.262 nan 8.360 nan 0.000 0.449 172 V N -2.095 117.828 119.914 0.015 0.000 3.007 172 V HA 0.694 4.815 4.120 0.001 0.000 0.311 172 V C -2.801 173.299 176.094 0.010 0.000 1.120 172 V CA -2.746 59.563 62.300 0.015 0.000 0.980 172 V CB 1.837 33.667 31.823 0.013 0.000 1.033 172 V HN 0.535 nan 8.190 nan 0.000 0.429 173 P HA 0.421 nan 4.420 nan 0.000 0.282 173 P C -0.542 176.761 177.300 0.005 0.000 1.262 173 P CA -0.014 63.092 63.100 0.010 0.000 0.773 173 P CB 1.460 33.167 31.700 0.013 0.000 0.879 174 V N 1.719 121.634 119.914 0.002 0.000 3.001 174 V HA 0.529 4.650 4.120 0.001 0.000 0.314 174 V C 0.167 176.262 176.094 0.002 0.000 1.099 174 V CA -1.485 60.813 62.300 -0.003 0.000 0.989 174 V CB 1.613 33.429 31.823 -0.012 0.000 1.040 174 V HN 0.272 nan 8.190 nan 0.000 0.434 175 I N 3.336 123.906 120.570 0.001 0.000 2.648 175 I HA 0.244 4.414 4.170 0.001 0.000 0.284 175 I C 1.320 177.442 176.117 0.009 0.000 1.153 175 I CA -0.043 61.261 61.300 0.007 0.000 1.426 175 I CB 0.463 38.467 38.000 0.007 0.000 1.381 175 I HN 0.899 nan 8.210 nan 0.000 0.571 176 R N 6.219 126.727 120.500 0.014 0.000 2.817 176 R HA 0.111 4.452 4.340 0.001 0.000 0.264 176 R C -0.559 175.751 176.300 0.017 0.000 1.009 176 R CA -0.318 55.791 56.100 0.015 0.000 1.133 176 R CB 0.299 30.609 30.300 0.018 0.000 1.013 176 R HN 0.439 nan 8.270 nan 0.000 0.453 177 K N 1.204 121.614 120.400 0.017 0.000 2.355 177 K HA 0.097 4.417 4.320 0.001 0.000 0.270 177 K C -0.335 176.280 176.600 0.025 0.000 1.003 177 K CA -0.527 55.771 56.287 0.019 0.000 0.957 177 K CB 1.019 33.529 32.500 0.018 0.000 0.939 177 K HN 0.300 nan 8.250 nan 0.000 0.482 178 V N 3.726 123.657 119.914 0.029 0.000 2.572 178 V HA 0.018 4.138 4.120 0.001 0.000 0.291 178 V C 0.546 176.663 176.094 0.039 0.000 1.039 178 V CA 0.073 62.399 62.300 0.042 0.000 1.055 178 V CB 0.270 32.121 31.823 0.048 0.000 0.969 178 V HN 0.624 nan 8.190 nan 0.000 0.482 179 R N 3.622 124.149 120.500 0.045 0.000 2.229 179 R HA 0.616 4.957 4.340 0.001 0.000 0.328 179 R C -1.163 175.166 176.300 0.049 0.000 1.009 179 R CA -0.431 55.691 56.100 0.037 0.000 0.864 179 R CB 1.492 31.812 30.300 0.033 0.000 1.085 179 R HN 0.535 nan 8.270 nan 0.000 0.453 180 V N 2.564 122.497 119.914 0.032 0.000 2.443 180 V HA 0.496 4.616 4.120 0.001 0.000 0.293 180 V C -0.117 175.990 176.094 0.022 0.000 1.021 180 V CA -0.942 61.383 62.300 0.042 0.000 0.848 180 V CB 1.640 33.489 31.823 0.043 0.000 0.998 180 V HN 0.907 nan 8.190 nan 0.000 0.424 181 A N 5.595 128.449 122.820 0.056 0.000 2.304 181 A HA 0.912 5.232 4.320 0.001 0.000 0.301 181 A C -0.779 176.850 177.584 0.075 0.000 1.132 181 A CA -0.508 51.574 52.037 0.074 0.000 0.819 181 A CB 1.068 20.136 19.000 0.114 0.000 1.094 181 A HN 0.846 nan 8.150 nan 0.000 0.492 182 L N 2.778 124.058 121.223 0.094 0.000 2.505 182 L HA 0.780 5.120 4.340 0.001 0.000 0.266 182 L C -1.693 175.271 176.870 0.157 0.000 0.954 182 L CA -0.640 54.219 54.840 0.032 0.000 0.852 182 L CB 1.729 43.781 42.059 -0.011 0.000 1.282 182 L HN 0.954 nan 8.230 nan 0.000 0.403 183 F N 1.622 121.559 119.950 -0.021 0.000 2.713 183 F HA 0.788 5.316 4.527 0.001 0.000 0.311 183 F C -1.014 174.778 175.800 -0.013 0.000 1.141 183 F CA -0.666 57.318 58.000 -0.027 0.000 0.939 183 F CB 1.371 40.331 39.000 -0.067 0.000 1.325 183 F HN 0.373 nan 8.300 nan 0.000 0.453 184 S N 0.060 115.917 115.700 0.261 0.000 2.709 184 S HA 0.902 5.373 4.470 0.001 0.000 0.302 184 S C -0.998 173.770 174.600 0.281 0.000 1.127 184 S CA -0.495 57.800 58.200 0.158 0.000 0.905 184 S CB 1.895 65.144 63.200 0.082 0.000 1.151 184 S HN 1.195 nan 8.310 nan 0.000 0.510 185 T N -1.040 113.632 114.554 0.196 0.000 2.889 185 T HA 0.719 5.070 4.350 0.001 0.000 0.315 185 T C -0.753 174.029 174.700 0.138 0.000 1.291 185 T CA 0.382 62.593 62.100 0.185 0.000 1.028 185 T CB 1.057 70.069 68.868 0.240 0.000 1.235 185 T HN 2.225 nan 8.240 nan 0.000 0.491 186 G N 2.720 111.596 108.800 0.127 0.000 2.397 186 G HA2 0.245 4.206 3.960 0.001 0.000 0.453 186 G HA3 0.245 4.206 3.960 0.001 0.000 0.453 186 G C -0.133 174.811 174.900 0.073 0.000 1.579 186 G CA 0.260 45.424 45.100 0.106 0.000 0.906 186 G HN 0.807 nan 8.290 nan 0.000 0.675 187 D N 0.685 121.123 120.400 0.062 0.000 2.363 187 D HA -0.065 4.576 4.640 0.001 0.000 0.220 187 D C 1.745 178.053 176.300 0.014 0.000 0.994 187 D CA 1.159 55.180 54.000 0.034 0.000 0.890 187 D CB 0.159 40.975 40.800 0.026 0.000 0.906 187 D HN 0.650 nan 8.370 nan 0.000 0.530 188 E N 1.112 121.322 120.200 0.017 0.000 2.358 188 E HA -0.086 4.264 4.350 0.001 0.000 0.195 188 E C 0.474 177.058 176.600 -0.027 0.000 1.010 188 E CA 0.090 56.486 56.400 -0.006 0.000 0.856 188 E CB -0.226 29.477 29.700 0.005 0.000 0.795 188 E HN 0.346 nan 8.360 nan 0.000 0.504 189 L N 1.876 123.097 121.223 -0.003 0.000 2.305 189 L HA 0.313 4.653 4.340 0.001 0.000 0.281 189 L C 0.090 176.951 176.870 -0.013 0.000 1.085 189 L CA -0.482 54.356 54.840 -0.003 0.000 0.813 189 L CB 1.024 43.105 42.059 0.035 0.000 1.157 189 L HN -0.017 nan 8.230 nan 0.000 0.436 190 Q N 2.563 122.343 119.800 -0.034 0.000 2.394 190 Q HA 0.540 4.880 4.340 0.001 0.000 0.273 190 Q C -1.225 174.861 176.000 0.143 0.000 1.089 190 Q CA -0.532 55.267 55.803 -0.006 0.000 0.812 190 Q CB 2.085 30.722 28.738 -0.168 0.000 1.353 190 Q HN 0.490 nan 8.270 nan 0.000 0.438 191 L N 4.555 125.868 121.223 0.150 0.000 2.380 191 L HA 0.418 4.759 4.340 0.001 0.000 0.273 191 L C -1.930 175.086 176.870 0.245 0.000 1.138 191 L CA -1.912 53.022 54.840 0.157 0.000 0.832 191 L CB 0.589 42.696 42.059 0.081 0.000 1.124 191 L HN 0.568 nan 8.230 nan 0.000 0.454 192 P HA -0.003 nan 4.420 nan 0.000 0.265 192 P C 0.774 178.032 177.300 -0.070 0.000 1.187 192 P CA 0.819 63.827 63.100 -0.153 0.000 0.766 192 P CB 0.654 32.231 31.700 -0.205 0.000 0.820 193 G N 0.479 109.208 108.800 -0.118 0.000 2.195 193 G HA2 -0.188 3.772 3.960 0.001 0.000 0.246 193 G HA3 -0.188 3.772 3.960 0.001 0.000 0.246 193 G C 0.014 174.936 174.900 0.036 0.000 0.984 193 G CA -0.308 44.767 45.100 -0.042 0.000 0.633 193 G HN 0.568 nan 8.290 nan 0.000 0.525 194 Q N 0.815 120.687 119.800 0.119 0.000 2.248 194 Q HA 0.533 4.874 4.340 0.001 0.000 0.263 194 Q C -2.552 173.570 176.000 0.203 0.000 1.007 194 Q CA -1.758 54.125 55.803 0.133 0.000 0.877 194 Q CB 2.311 31.122 28.738 0.121 0.000 1.315 194 Q HN 0.327 nan 8.270 nan 0.000 0.454 195 P HA 0.170 nan 4.420 nan 0.000 0.279 195 P C -0.695 176.621 177.300 0.027 0.000 1.239 195 P CA -0.594 62.565 63.100 0.099 0.000 0.789 195 P CB 0.667 32.400 31.700 0.054 0.000 0.933 196 L N 2.817 124.021 121.223 -0.032 0.000 2.418 196 L HA 0.328 4.668 4.340 0.001 0.000 0.274 196 L C 1.419 178.243 176.870 -0.076 0.000 1.135 196 L CA 0.490 55.240 54.840 -0.150 0.000 0.870 196 L CB -0.402 41.529 42.059 -0.213 0.000 1.154 196 L HN 0.552 nan 8.230 nan 0.000 0.462 197 G N 2.063 110.818 108.800 -0.074 0.000 2.563 197 G HA2 0.106 4.067 3.960 0.001 0.000 0.283 197 G HA3 0.106 4.067 3.960 0.001 0.000 0.283 197 G C -0.527 174.345 174.900 -0.046 0.000 1.309 197 G CA -0.571 44.503 45.100 -0.044 0.000 1.022 197 G HN 0.610 nan 8.290 nan 0.000 0.501 198 D N -0.529 119.853 120.400 -0.029 0.000 2.479 198 D HA 0.323 4.964 4.640 0.001 0.000 0.257 198 D C 1.452 177.736 176.300 -0.027 0.000 1.230 198 D CA 1.815 55.801 54.000 -0.023 0.000 0.912 198 D CB -0.204 40.588 40.800 -0.014 0.000 1.130 198 D HN 1.007 nan 8.370 nan 0.000 0.515 199 G N 3.142 111.924 108.800 -0.029 0.000 2.143 199 G HA2 -0.274 3.686 3.960 0.001 0.000 0.249 199 G HA3 -0.274 3.686 3.960 0.001 0.000 0.249 199 G C 0.280 175.154 174.900 -0.043 0.000 0.981 199 G CA 0.175 45.260 45.100 -0.026 0.000 0.665 199 G HN 0.587 nan 8.290 nan 0.000 0.528 200 Q N -0.225 119.530 119.800 -0.075 0.000 2.227 200 Q HA 0.709 5.049 4.340 0.001 0.000 0.245 200 Q C 0.700 176.600 176.000 -0.168 0.000 0.926 200 Q CA -0.181 55.551 55.803 -0.118 0.000 0.895 200 Q CB 1.758 30.402 28.738 -0.158 0.000 1.230 200 Q HN 0.786 nan 8.270 nan 0.000 0.450 201 I N -2.631 117.836 120.570 -0.173 0.000 3.002 201 I HA 0.466 4.636 4.170 0.001 0.000 0.310 201 I C -1.104 174.865 176.117 -0.247 0.000 1.087 201 I CA -1.392 59.803 61.300 -0.175 0.000 1.017 201 I CB 1.293 39.266 38.000 -0.046 0.000 1.226 201 I HN 0.460 nan 8.210 nan 0.000 0.443 202 Y N 1.017 121.316 120.300 -0.002 0.000 2.319 202 Y HA 0.202 4.753 4.550 0.001 0.000 0.328 202 Y C 0.387 176.275 175.900 -0.019 0.000 1.133 202 Y CA 0.034 58.128 58.100 -0.011 0.000 1.265 202 Y CB 0.482 38.930 38.460 -0.019 0.000 1.218 202 Y HN 0.538 nan 8.280 nan 0.000 0.508 203 D N 1.354 121.837 120.400 0.139 0.000 2.417 203 D HA 0.020 4.661 4.640 0.001 0.000 0.250 203 D C 0.743 177.058 176.300 0.025 0.000 1.166 203 D CA 0.393 54.431 54.000 0.063 0.000 0.881 203 D CB 0.988 41.822 40.800 0.058 0.000 1.164 203 D HN 0.738 nan 8.370 nan 0.000 0.467 204 T N 0.284 114.821 114.554 -0.029 0.000 3.019 204 T HA 0.020 4.370 4.350 0.001 0.000 0.247 204 T C 1.380 175.991 174.700 -0.148 0.000 0.992 204 T CA -0.285 61.746 62.100 -0.114 0.000 1.036 204 T CB -0.104 68.652 68.868 -0.187 0.000 1.063 204 T HN 0.155 nan 8.240 nan 0.000 0.476 205 N N 1.959 120.599 118.700 -0.100 0.000 2.104 205 N HA -0.060 4.681 4.740 0.001 0.000 0.190 205 N C 1.902 177.362 175.510 -0.084 0.000 1.024 205 N CA 1.379 54.380 53.050 -0.082 0.000 0.853 205 N CB -0.410 38.067 38.487 -0.017 0.000 1.008 205 N HN 0.486 nan 8.380 nan 0.000 0.424 206 R N 0.545 121.013 120.500 -0.053 0.000 2.092 206 R HA 0.056 4.397 4.340 0.001 0.000 0.231 206 R C 2.125 178.408 176.300 -0.028 0.000 1.119 206 R CA 0.602 56.684 56.100 -0.032 0.000 0.970 206 R CB -0.254 30.052 30.300 0.011 0.000 0.864 206 R HN 0.191 nan 8.270 nan 0.000 0.440 207 L N 0.231 121.419 121.223 -0.058 0.000 2.093 207 L HA -0.055 4.285 4.340 0.001 0.000 0.208 207 L C 2.166 178.972 176.870 -0.108 0.000 1.085 207 L CA 1.732 56.521 54.840 -0.085 0.000 0.755 207 L CB -0.643 41.348 42.059 -0.114 0.000 0.904 207 L HN 0.344 nan 8.230 nan 0.000 0.435 208 A N -0.526 122.206 122.820 -0.147 0.000 1.902 208 A HA -0.154 4.166 4.320 0.001 0.000 0.217 208 A C 2.191 179.627 177.584 -0.246 0.000 1.181 208 A CA 1.842 53.776 52.037 -0.171 0.000 0.623 208 A CB -0.742 18.159 19.000 -0.165 0.000 0.818 208 A HN 0.329 nan 8.150 nan 0.000 0.443 209 V N -0.523 119.226 119.914 -0.275 0.000 2.379 209 V HA -0.219 3.901 4.120 0.001 0.000 0.245 209 V C 2.521 178.426 176.094 -0.316 0.000 1.044 209 V CA 2.000 64.007 62.300 -0.488 0.000 1.036 209 V CB -0.992 30.593 31.823 -0.396 0.000 0.664 209 V HN 0.751 nan 8.190 nan 0.000 0.453 210 H N 0.398 119.332 119.070 -0.227 0.000 2.319 210 H HA -0.128 4.428 4.556 0.001 0.000 0.299 210 H C 2.234 177.475 175.328 -0.145 0.000 1.092 210 H CA 2.086 58.048 56.048 -0.144 0.000 1.302 210 H CB -0.220 29.485 29.762 -0.096 0.000 1.373 210 H HN 0.324 nan 8.280 nan 0.000 0.497 211 L N -0.199 121.051 121.223 0.045 0.000 2.042 211 L HA -0.241 4.099 4.340 0.001 0.000 0.210 211 L C 3.030 179.855 176.870 -0.075 0.000 1.076 211 L CA 1.416 56.244 54.840 -0.019 0.000 0.749 211 L CB -0.359 41.645 42.059 -0.092 0.000 0.893 211 L HN 0.285 nan 8.230 nan 0.000 0.432 212 M N -0.885 118.611 119.600 -0.174 0.000 2.156 212 M HA -0.181 4.299 4.480 0.001 0.000 0.264 212 M C 2.318 178.595 176.300 -0.037 0.000 1.067 212 M CA 1.608 56.810 55.300 -0.162 0.000 1.131 212 M CB -0.326 32.092 32.600 -0.304 0.000 1.368 212 M HN 0.218 nan 8.290 nan 0.000 0.416 213 L N -0.142 121.041 121.223 -0.066 0.000 2.012 213 L HA -0.241 4.100 4.340 0.001 0.000 0.210 213 L C 2.397 179.270 176.870 0.004 0.000 1.073 213 L CA 1.487 56.338 54.840 0.018 0.000 0.748 213 L CB -0.721 41.307 42.059 -0.052 0.000 0.891 213 L HN 0.339 nan 8.230 nan 0.000 0.431 214 E N -0.394 119.801 120.200 -0.007 0.000 2.038 214 E HA -0.260 4.091 4.350 0.001 0.000 0.195 214 E C 2.316 178.930 176.600 0.022 0.000 1.000 214 E CA 1.333 57.746 56.400 0.022 0.000 0.803 214 E CB 0.100 29.846 29.700 0.076 0.000 0.750 214 E HN 0.353 nan 8.360 nan 0.000 0.448 215 Q N -0.120 119.687 119.800 0.010 0.000 2.224 215 Q HA -0.082 4.259 4.340 0.001 0.000 0.203 215 Q C 2.122 178.139 176.000 0.030 0.000 0.970 215 Q CA 0.798 56.608 55.803 0.012 0.000 0.865 215 Q CB -0.052 28.675 28.738 -0.019 0.000 0.922 215 Q HN 0.409 nan 8.270 nan 0.000 0.445 216 L N -0.531 120.713 121.223 0.034 0.000 2.610 216 L HA 0.039 4.379 4.340 0.001 0.000 0.232 216 L C 1.035 177.924 176.870 0.033 0.000 1.149 216 L CA 0.547 55.409 54.840 0.037 0.000 0.872 216 L CB -0.361 41.734 42.059 0.060 0.000 0.992 216 L HN 0.361 nan 8.230 nan 0.000 0.447 217 G N -0.800 108.022 108.800 0.036 0.000 2.143 217 G HA2 -0.263 3.698 3.960 0.001 0.000 0.249 217 G HA3 -0.263 3.698 3.960 0.001 0.000 0.249 217 G C 0.304 175.218 174.900 0.024 0.000 0.981 217 G CA 0.067 45.187 45.100 0.034 0.000 0.665 217 G HN 0.360 nan 8.290 nan 0.000 0.528 218 C N 0.034 119.347 119.300 0.021 0.000 2.500 218 C HA 0.626 5.087 4.460 0.001 0.000 0.367 218 C C 0.914 175.903 174.990 -0.003 0.000 1.283 218 C CA -0.620 58.406 59.018 0.014 0.000 2.456 218 C CB 1.339 29.092 27.740 0.022 0.000 2.457 218 C HN 0.555 nan 8.230 nan 0.000 0.632 219 E N 0.693 120.891 120.200 -0.003 0.000 2.081 219 E HA 0.415 4.765 4.350 0.001 0.000 0.281 219 E C -1.237 175.339 176.600 -0.040 0.000 0.986 219 E CA -0.166 56.227 56.400 -0.012 0.000 0.796 219 E CB 0.699 30.402 29.700 0.004 0.000 1.085 219 E HN 0.515 nan 8.360 nan 0.000 0.398 220 V N 6.636 126.495 119.914 -0.091 0.000 2.407 220 V HA 0.280 4.401 4.120 0.001 0.000 0.278 220 V C 0.094 176.117 176.094 -0.117 0.000 1.037 220 V CA -0.485 61.699 62.300 -0.192 0.000 0.900 220 V CB 1.108 32.607 31.823 -0.540 0.000 0.983 220 V HN 0.599 nan 8.190 nan 0.000 0.459 221 I N 4.507 125.035 120.570 -0.070 0.000 2.460 221 I HA 0.307 4.478 4.170 0.001 0.000 0.277 221 I C 0.252 176.379 176.117 0.016 0.000 1.057 221 I CA 0.088 61.383 61.300 -0.008 0.000 1.179 221 I CB 0.574 38.584 38.000 0.016 0.000 1.329 221 I HN 0.582 nan 8.210 nan 0.000 0.478 222 N N 4.483 123.206 118.700 0.039 0.000 2.411 222 N HA 0.216 4.956 4.740 0.001 0.000 0.259 222 N C 0.545 176.114 175.510 0.099 0.000 1.103 222 N CA -0.372 52.740 53.050 0.104 0.000 0.954 222 N CB 0.799 39.423 38.487 0.229 0.000 1.085 222 N HN 0.460 nan 8.380 nan 0.000 0.485 223 L N 3.197 124.489 121.223 0.115 0.000 2.607 223 L HA 0.392 4.733 4.340 0.001 0.000 0.228 223 L C 1.341 178.249 176.870 0.065 0.000 1.123 223 L CA 0.521 55.400 54.840 0.066 0.000 0.890 223 L CB -0.782 41.289 42.059 0.020 0.000 1.103 223 L HN 0.872 nan 8.230 nan 0.000 0.468 224 G N 0.001 108.865 108.800 0.108 0.000 2.542 224 G HA2 -0.256 3.705 3.960 0.001 0.000 0.235 224 G HA3 -0.256 3.705 3.960 0.001 0.000 0.235 224 G C -0.113 174.854 174.900 0.113 0.000 1.286 224 G CA -0.340 44.813 45.100 0.088 0.000 0.904 224 G HN 0.033 nan 8.290 nan 0.000 0.577 225 I N 1.679 122.298 120.570 0.081 0.000 2.301 225 I HA 0.290 4.461 4.170 0.001 0.000 0.292 225 I C 0.439 176.592 176.117 0.061 0.000 1.046 225 I CA -0.671 60.683 61.300 0.091 0.000 1.282 225 I CB 0.801 38.843 38.000 0.071 0.000 1.409 225 I HN 0.250 nan 8.210 nan 0.000 0.484 226 I N 6.218 126.829 120.570 0.068 0.000 2.472 226 I HA 0.229 4.400 4.170 0.001 0.000 0.290 226 I C 0.801 176.945 176.117 0.045 0.000 1.016 226 I CA -0.367 60.930 61.300 -0.005 0.000 1.348 226 I CB 0.903 38.813 38.000 -0.150 0.000 1.417 226 I HN 0.650 nan 8.210 nan 0.000 0.521 227 R N 3.651 124.167 120.500 0.026 0.000 2.570 227 R HA -0.058 4.282 4.340 0.001 0.000 0.277 227 R C -0.100 176.251 176.300 0.085 0.000 1.039 227 R CA -0.168 55.959 56.100 0.044 0.000 1.065 227 R CB 0.292 30.606 30.300 0.023 0.000 0.964 227 R HN 0.467 nan 8.270 nan 0.000 0.428 228 D N 2.740 123.202 120.400 0.103 0.000 2.911 228 D HA -0.028 4.612 4.640 0.001 0.000 0.233 228 D C -0.791 175.504 176.300 -0.009 0.000 1.134 228 D CA 0.748 54.854 54.000 0.176 0.000 1.011 228 D CB -0.324 40.555 40.800 0.132 0.000 1.174 228 D HN 0.408 nan 8.370 nan 0.000 0.440 229 D N -0.344 120.064 120.400 0.013 0.000 2.619 229 D HA 0.156 4.797 4.640 0.001 0.000 0.241 229 D C -1.916 174.382 176.300 -0.003 0.000 1.087 229 D CA -1.960 51.982 54.000 -0.096 0.000 0.851 229 D CB 2.828 43.623 40.800 -0.008 0.000 1.474 229 D HN -0.117 nan 8.370 nan 0.000 0.478 230 P HA -0.154 nan 4.420 nan 0.000 0.216 230 P C 1.271 178.521 177.300 -0.082 0.000 1.153 230 P CA 1.245 64.324 63.100 -0.035 0.000 0.848 230 P CB 0.186 31.753 31.700 -0.223 0.000 0.787 231 H N 0.157 119.246 119.070 0.032 0.000 2.321 231 H HA -0.018 4.538 4.556 0.001 0.000 0.300 231 H C 2.053 177.391 175.328 0.018 0.000 1.087 231 H CA 1.754 57.813 56.048 0.018 0.000 1.319 231 H CB -1.025 28.735 29.762 -0.003 0.000 1.379 231 H HN 0.107 nan 8.280 nan 0.000 0.501 232 A N 1.412 124.307 122.820 0.125 0.000 1.933 232 A HA -0.085 4.235 4.320 0.001 0.000 0.218 232 A C 2.637 180.229 177.584 0.015 0.000 1.175 232 A CA 0.920 52.987 52.037 0.051 0.000 0.628 232 A CB -0.727 18.290 19.000 0.028 0.000 0.814 232 A HN 0.319 nan 8.150 nan 0.000 0.444 233 L N -1.173 120.095 121.223 0.074 0.000 2.068 233 L HA -0.098 4.242 4.340 0.001 0.000 0.204 233 L C 2.749 179.710 176.870 0.152 0.000 1.076 233 L CA 1.547 56.441 54.840 0.091 0.000 0.753 233 L CB -0.427 41.783 42.059 0.252 0.000 0.910 233 L HN 0.493 nan 8.230 nan 0.000 0.439 234 R N -0.039 120.554 120.500 0.154 0.000 2.096 234 R HA -0.225 4.115 4.340 0.001 0.000 0.240 234 R C 2.195 178.557 176.300 0.102 0.000 1.139 234 R CA 1.818 58.002 56.100 0.140 0.000 0.952 234 R CB -0.322 30.018 30.300 0.068 0.000 0.854 234 R HN 0.462 nan 8.270 nan 0.000 0.436 235 A N 0.413 123.262 122.820 0.049 0.000 1.940 235 A HA -0.122 4.198 4.320 0.001 0.000 0.219 235 A C 2.306 179.861 177.584 -0.049 0.000 1.176 235 A CA 1.746 53.788 52.037 0.009 0.000 0.631 235 A CB -0.671 18.332 19.000 0.005 0.000 0.814 235 A HN 0.571 nan 8.150 nan 0.000 0.446 236 A N -1.350 121.386 122.820 -0.140 0.000 1.898 236 A HA 0.045 4.366 4.320 0.001 0.000 0.216 236 A C 1.983 179.382 177.584 -0.309 0.000 1.181 236 A CA 1.318 53.144 52.037 -0.353 0.000 0.620 236 A CB -0.688 17.880 19.000 -0.720 0.000 0.819 236 A HN 0.467 nan 8.150 nan 0.000 0.442 237 F N -0.054 119.798 119.950 -0.164 0.000 2.134 237 F HA -0.120 4.408 4.527 0.001 0.000 0.299 237 F C 2.163 177.948 175.800 -0.025 0.000 1.097 237 F CA 1.537 59.522 58.000 -0.025 0.000 1.264 237 F CB -0.213 38.766 39.000 -0.035 0.000 1.001 237 F HN 0.120 nan 8.300 nan 0.000 0.479 238 I N -0.376 120.278 120.570 0.140 0.000 2.226 238 I HA -0.261 3.910 4.170 0.001 0.000 0.245 238 I C 2.404 178.544 176.117 0.038 0.000 1.100 238 I CA 1.359 62.700 61.300 0.069 0.000 1.374 238 I CB -0.310 37.712 38.000 0.038 0.000 1.057 238 I HN 0.078 nan 8.210 nan 0.000 0.413 239 E N 1.382 121.587 120.200 0.009 0.000 2.051 239 E HA -0.209 4.142 4.350 0.001 0.000 0.192 239 E C 2.129 178.738 176.600 0.014 0.000 0.991 239 E CA 1.770 58.166 56.400 -0.006 0.000 0.799 239 E CB -0.248 29.429 29.700 -0.039 0.000 0.748 239 E HN 0.394 nan 8.360 nan 0.000 0.449 240 A N 0.694 123.529 122.820 0.024 0.000 1.873 240 A HA -0.291 4.030 4.320 0.001 0.000 0.218 240 A C 2.195 179.832 177.584 0.088 0.000 1.193 240 A CA 2.316 54.401 52.037 0.079 0.000 0.629 240 A CB -1.301 17.793 19.000 0.157 0.000 0.826 240 A HN 0.485 nan 8.150 nan 0.000 0.447 241 D N -0.233 120.227 120.400 0.101 0.000 2.133 241 D HA -0.177 4.463 4.640 0.001 0.000 0.195 241 D C 2.165 178.482 176.300 0.028 0.000 0.997 241 D CA 2.199 56.240 54.000 0.069 0.000 0.840 241 D CB -0.056 40.781 40.800 0.061 0.000 0.947 241 D HN 0.517 nan 8.370 nan 0.000 0.452 242 S N -1.267 114.447 115.700 0.024 0.000 2.453 242 S HA -0.091 4.379 4.470 0.001 0.000 0.231 242 S C 1.797 176.404 174.600 0.012 0.000 1.005 242 S CA 0.582 58.788 58.200 0.009 0.000 0.949 242 S CB -0.130 63.073 63.200 0.006 0.000 0.774 242 S HN 0.370 nan 8.310 nan 0.000 0.510 243 Q N 0.184 119.997 119.800 0.022 0.000 2.350 243 Q HA 0.502 4.843 4.340 0.001 0.000 0.225 243 Q C 0.429 176.446 176.000 0.028 0.000 0.878 243 Q CA 0.385 56.202 55.803 0.022 0.000 0.935 243 Q CB 0.928 29.680 28.738 0.024 0.000 1.099 243 Q HN 0.689 nan 8.270 nan 0.000 0.527 244 A N -0.037 122.805 122.820 0.037 0.000 2.479 244 A HA 0.333 4.654 4.320 0.001 0.000 0.296 244 A C -0.415 177.198 177.584 0.048 0.000 1.121 244 A CA -0.633 51.433 52.037 0.047 0.000 0.743 244 A CB 1.168 20.207 19.000 0.065 0.000 1.323 244 A HN -0.035 nan 8.150 nan 0.000 0.415 245 D N -0.509 119.931 120.400 0.066 0.000 2.194 245 D HA 0.086 4.727 4.640 0.001 0.000 0.204 245 D C 0.177 176.565 176.300 0.147 0.000 0.964 245 D CA 1.591 55.647 54.000 0.094 0.000 0.846 245 D CB 0.274 41.144 40.800 0.116 0.000 0.962 245 D HN 0.207 nan 8.370 nan 0.000 0.490 246 V N 0.956 120.958 119.914 0.147 0.000 2.841 246 V HA 0.337 4.458 4.120 0.001 0.000 0.310 246 V C -0.321 175.861 176.094 0.147 0.000 1.090 246 V CA -0.865 61.544 62.300 0.182 0.000 0.930 246 V CB 3.018 34.948 31.823 0.179 0.000 1.014 246 V HN -0.272 nan 8.190 nan 0.000 0.425 247 V N 5.274 125.295 119.914 0.179 0.000 2.487 247 V HA 0.589 4.710 4.120 0.001 0.000 0.298 247 V C -0.546 175.606 176.094 0.095 0.000 1.028 247 V CA -0.391 62.026 62.300 0.195 0.000 0.860 247 V CB 1.864 33.901 31.823 0.356 0.000 0.991 247 V HN 0.705 nan 8.190 nan 0.000 0.427 248 I N 3.200 123.748 120.570 -0.038 0.000 2.436 248 I HA 0.412 4.582 4.170 0.001 0.000 0.289 248 I C 0.096 176.016 176.117 -0.328 0.000 1.010 248 I CA -0.341 60.847 61.300 -0.186 0.000 1.098 248 I CB 2.228 40.198 38.000 -0.050 0.000 1.266 248 I HN 0.618 nan 8.210 nan 0.000 0.434 249 S N 3.425 118.919 115.700 -0.343 0.000 2.430 249 S HA 0.172 4.643 4.470 0.001 0.000 0.289 249 S C 1.094 175.583 174.600 -0.185 0.000 1.143 249 S CA -0.425 57.539 58.200 -0.395 0.000 1.067 249 S CB 0.863 63.975 63.200 -0.145 0.000 0.964 249 S HN 0.730 nan 8.310 nan 0.000 0.485 250 S N 3.541 119.144 115.700 -0.162 0.000 2.522 250 S HA 0.420 4.890 4.470 0.001 0.000 0.227 250 S C 0.934 175.530 174.600 -0.007 0.000 0.986 250 S CA 0.103 58.270 58.200 -0.055 0.000 0.929 250 S CB -0.323 62.845 63.200 -0.054 0.000 0.769 250 S HN 1.372 nan 8.310 nan 0.000 0.529 251 G N -1.935 106.859 108.800 -0.009 0.000 2.402 251 G HA2 0.520 4.481 3.960 0.001 0.000 0.301 251 G HA3 0.520 4.481 3.960 0.001 0.000 0.301 251 G C 0.210 175.143 174.900 0.056 0.000 1.615 251 G CA -0.212 44.912 45.100 0.041 0.000 0.889 251 G HN 1.148 nan 8.290 nan 0.000 0.647 252 G N -1.384 107.462 108.800 0.077 0.000 2.284 252 G HA2 -0.032 3.928 3.960 0.001 0.000 0.216 252 G HA3 -0.032 3.928 3.960 0.001 0.000 0.216 252 G C 0.449 175.401 174.900 0.087 0.000 1.009 252 G CA 0.578 45.731 45.100 0.088 0.000 0.625 252 G HN 1.716 nan 8.290 nan 0.000 0.501 253 V N 2.141 122.122 119.914 0.112 0.000 2.607 253 V HA 0.634 4.755 4.120 0.001 0.000 0.289 253 V C 1.321 177.495 176.094 0.134 0.000 1.053 253 V CA 0.281 62.665 62.300 0.139 0.000 0.996 253 V CB 1.589 33.573 31.823 0.269 0.000 0.995 253 V HN 0.847 nan 8.190 nan 0.000 0.476 254 S N 3.444 119.191 115.700 0.078 0.000 2.558 254 S HA 0.049 4.520 4.470 0.001 0.000 0.293 254 S C 0.486 175.213 174.600 0.211 0.000 1.292 254 S CA -0.015 58.225 58.200 0.067 0.000 1.063 254 S CB 0.671 63.834 63.200 -0.062 0.000 0.831 254 S HN 1.104 nan 8.310 nan 0.000 0.499 255 V N 2.551 122.574 119.914 0.182 0.000 2.982 255 V HA 0.721 4.841 4.120 0.001 0.000 0.368 255 V C 1.199 177.436 176.094 0.238 0.000 1.350 255 V CA 0.236 62.715 62.300 0.298 0.000 1.251 255 V CB -0.626 31.332 31.823 0.226 0.000 1.284 255 V HN 1.194 nan 8.190 nan 0.000 0.533 256 G N 0.437 109.200 108.800 -0.062 0.000 3.345 256 G HA2 -0.123 3.837 3.960 0.001 0.000 0.199 256 G HA3 -0.123 3.837 3.960 0.001 0.000 0.199 256 G C -0.128 174.613 174.900 -0.264 0.000 1.057 256 G CA -0.218 44.722 45.100 -0.267 0.000 0.865 256 G HN 0.573 nan 8.290 nan 0.000 0.449 257 E N 1.101 121.223 120.200 -0.130 0.000 2.481 257 E HA 0.463 4.813 4.350 0.001 0.000 0.263 257 E C 0.571 177.085 176.600 -0.143 0.000 0.992 257 E CA 0.690 57.032 56.400 -0.097 0.000 0.938 257 E CB 0.688 30.364 29.700 -0.040 0.000 0.933 257 E HN 0.851 nan 8.360 nan 0.000 0.453 258 A N 3.449 126.206 122.820 -0.105 0.000 3.037 258 A HA 0.250 4.570 4.320 0.001 0.000 0.272 258 A C -0.554 176.996 177.584 -0.056 0.000 1.723 258 A CA -0.585 51.392 52.037 -0.100 0.000 1.413 258 A CB -1.008 17.949 19.000 -0.071 0.000 1.112 258 A HN 0.569 nan 8.150 nan 0.000 0.606 259 D N -1.014 119.346 120.400 -0.067 0.000 2.650 259 D HA 0.250 4.891 4.640 0.001 0.000 0.255 259 D C 0.856 177.139 176.300 -0.027 0.000 1.135 259 D CA -0.405 53.588 54.000 -0.012 0.000 1.099 259 D CB -0.076 40.727 40.800 0.004 0.000 1.273 259 D HN 0.325 nan 8.370 nan 0.000 0.628 260 Y N -1.718 118.573 120.300 -0.015 0.000 2.352 260 Y HA -0.074 4.476 4.550 0.001 0.000 0.292 260 Y C 2.101 177.994 175.900 -0.011 0.000 1.136 260 Y CA 1.645 59.732 58.100 -0.021 0.000 1.227 260 Y CB -1.251 37.196 38.460 -0.021 0.000 0.991 260 Y HN 0.379 nan 8.280 nan 0.000 0.545 261 T N -1.416 112.615 114.554 -0.872 0.000 2.821 261 T HA -0.197 4.154 4.350 0.001 0.000 0.267 261 T C 1.773 176.328 174.700 -0.241 0.000 1.046 261 T CA 1.509 63.255 62.100 -0.590 0.000 1.139 261 T CB -0.405 68.179 68.868 -0.472 0.000 0.871 261 T HN 0.479 nan 8.240 nan 0.000 0.454 262 K N 1.060 121.342 120.400 -0.196 0.000 2.148 262 K HA -0.108 4.212 4.320 0.001 0.000 0.204 262 K C 2.607 179.137 176.600 -0.118 0.000 1.050 262 K CA 1.685 57.888 56.287 -0.141 0.000 0.942 262 K CB -0.488 31.883 32.500 -0.216 0.000 0.724 262 K HN 0.557 nan 8.250 nan 0.000 0.446 263 T N -0.789 113.702 114.554 -0.106 0.000 2.857 263 T HA -0.062 4.288 4.350 0.001 0.000 0.266 263 T C 1.876 176.512 174.700 -0.106 0.000 1.048 263 T CA 1.078 63.131 62.100 -0.079 0.000 1.139 263 T CB -0.271 68.573 68.868 -0.040 0.000 0.874 263 T HN 0.218 nan 8.240 nan 0.000 0.455 264 I N 0.565 121.060 120.570 -0.125 0.000 2.179 264 I HA -0.052 4.118 4.170 0.001 0.000 0.242 264 I C 2.679 178.582 176.117 -0.356 0.000 1.088 264 I CA 1.099 62.292 61.300 -0.179 0.000 1.357 264 I CB -0.393 37.544 38.000 -0.106 0.000 1.051 264 I HN 0.242 nan 8.210 nan 0.000 0.409 265 L N 0.464 121.434 121.223 -0.423 0.000 2.012 265 L HA -0.249 4.091 4.340 0.001 0.000 0.210 265 L C 2.551 179.197 176.870 -0.374 0.000 1.073 265 L CA 1.737 56.220 54.840 -0.596 0.000 0.748 265 L CB -0.377 41.445 42.059 -0.395 0.000 0.891 265 L HN 0.287 nan 8.230 nan 0.000 0.431 266 E N -0.687 119.404 120.200 -0.181 0.000 2.204 266 E HA -0.271 4.079 4.350 0.001 0.000 0.194 266 E C 1.889 178.408 176.600 -0.136 0.000 0.989 266 E CA 0.966 57.301 56.400 -0.108 0.000 0.824 266 E CB 0.026 29.713 29.700 -0.023 0.000 0.756 266 E HN 0.486 nan 8.360 nan 0.000 0.477 267 E N 0.413 120.519 120.200 -0.157 0.000 2.274 267 E HA -0.159 4.192 4.350 0.001 0.000 0.194 267 E C 1.375 177.877 176.600 -0.163 0.000 0.996 267 E CA 0.569 56.888 56.400 -0.134 0.000 0.840 267 E CB 0.292 29.925 29.700 -0.112 0.000 0.772 267 E HN 0.121 nan 8.360 nan 0.000 0.491 268 L N -0.358 120.718 121.223 -0.244 0.000 2.638 268 L HA 0.396 4.737 4.340 0.001 0.000 0.232 268 L C 0.870 177.593 176.870 -0.245 0.000 1.099 268 L CA 0.803 55.490 54.840 -0.255 0.000 0.883 268 L CB 0.928 42.761 42.059 -0.377 0.000 1.136 268 L HN 0.177 nan 8.230 nan 0.000 0.492 269 G N -1.243 107.405 108.800 -0.254 0.000 2.600 269 G HA2 0.493 4.453 3.960 0.001 0.000 0.293 269 G HA3 0.493 4.453 3.960 0.001 0.000 0.293 269 G C -1.422 173.366 174.900 -0.187 0.000 1.408 269 G CA -0.476 44.486 45.100 -0.229 0.000 0.782 269 G HN -0.114 nan 8.290 nan 0.000 0.482 270 E N 1.137 121.232 120.200 -0.175 0.000 2.070 270 E HA 0.379 4.729 4.350 0.001 0.000 0.261 270 E C -0.488 176.001 176.600 -0.185 0.000 0.926 270 E CA -0.505 55.814 56.400 -0.135 0.000 0.760 270 E CB 1.572 31.216 29.700 -0.092 0.000 1.133 270 E HN 0.253 nan 8.360 nan 0.000 0.420 271 I N 1.439 121.874 120.570 -0.225 0.000 2.433 271 I HA 0.464 4.634 4.170 0.001 0.000 0.292 271 I C 0.243 176.052 176.117 -0.514 0.000 1.001 271 I CA -1.107 59.942 61.300 -0.419 0.000 1.119 271 I CB 1.381 39.074 38.000 -0.511 0.000 1.289 271 I HN 0.300 nan 8.210 nan 0.000 0.438 272 A N 6.497 128.942 122.820 -0.625 0.000 2.301 272 A HA 0.775 5.096 4.320 0.001 0.000 0.312 272 A C -1.112 175.884 177.584 -0.980 0.000 1.182 272 A CA -0.312 51.359 52.037 -0.610 0.000 0.826 272 A CB 0.287 18.956 19.000 -0.552 0.000 1.134 272 A HN 0.477 nan 8.150 nan 0.000 0.501 273 F N 2.653 122.471 119.950 -0.220 0.000 2.366 273 F HA 0.380 4.908 4.527 0.001 0.000 0.366 273 F C -0.426 175.447 175.800 0.121 0.000 1.096 273 F CA -0.382 57.562 58.000 -0.093 0.000 1.060 273 F CB 0.964 39.960 39.000 -0.006 0.000 1.282 273 F HN 0.532 nan 8.300 nan 0.000 0.450 274 W N 2.954 124.391 121.300 0.228 0.000 2.448 274 W HA 0.495 5.155 4.660 0.001 0.000 0.339 274 W C -0.220 176.413 176.519 0.190 0.000 1.124 274 W CA -1.323 56.140 57.345 0.196 0.000 1.262 274 W CB 1.131 30.707 29.460 0.193 0.000 1.251 274 W HN 0.119 nan 8.180 nan 0.000 0.597 275 K N 3.362 123.995 120.400 0.388 0.000 2.464 275 K HA 0.347 4.667 4.320 0.001 0.000 0.252 275 K C -0.802 175.890 176.600 0.154 0.000 1.000 275 K CA -1.048 55.381 56.287 0.237 0.000 0.951 275 K CB 1.500 34.105 32.500 0.175 0.000 1.183 275 K HN 0.101 nan 8.250 nan 0.000 0.445 276 L N 1.386 122.699 121.223 0.150 0.000 2.334 276 L HA 0.341 4.681 4.340 0.001 0.000 0.277 276 L C 0.769 177.672 176.870 0.055 0.000 1.075 276 L CA -0.377 54.509 54.840 0.076 0.000 0.804 276 L CB 1.232 43.339 42.059 0.080 0.000 1.174 276 L HN 0.654 nan 8.230 nan 0.000 0.438 277 A N 5.782 128.617 122.820 0.026 0.000 3.077 277 A HA 0.477 4.797 4.320 0.001 0.000 0.255 277 A C 0.097 177.711 177.584 0.051 0.000 1.728 277 A CA -0.150 51.905 52.037 0.030 0.000 1.383 277 A CB -1.341 17.665 19.000 0.009 0.000 1.097 277 A HN 0.613 nan 8.150 nan 0.000 0.634 278 I N -2.927 117.685 120.570 0.070 0.000 3.145 278 I HA 0.910 5.080 4.170 0.001 0.000 0.313 278 I C -0.811 175.368 176.117 0.104 0.000 1.122 278 I CA -1.478 59.889 61.300 0.112 0.000 0.987 278 I CB 2.435 40.501 38.000 0.110 0.000 1.236 278 I HN 0.088 nan 8.210 nan 0.000 0.453 279 K N 3.104 123.587 120.400 0.139 0.000 2.543 279 K HA 0.581 4.901 4.320 0.001 0.000 0.255 279 K C -3.056 173.633 176.600 0.147 0.000 0.934 279 K CA -1.294 55.060 56.287 0.113 0.000 0.810 279 K CB 2.562 35.111 32.500 0.082 0.000 1.315 279 K HN 0.434 nan 8.250 nan 0.000 0.433 280 P HA 0.318 nan 4.420 nan 0.000 0.273 280 P C 0.183 177.535 177.300 0.087 0.000 1.250 280 P CA 0.658 63.816 63.100 0.097 0.000 0.793 280 P CB 0.683 32.444 31.700 0.103 0.000 1.011 281 G N 0.006 108.865 108.800 0.098 0.000 2.587 281 G HA2 -0.080 3.881 3.960 0.001 0.000 0.212 281 G HA3 -0.080 3.881 3.960 0.001 0.000 0.212 281 G C -0.025 174.936 174.900 0.101 0.000 1.327 281 G CA 0.592 45.753 45.100 0.101 0.000 0.898 281 G HN 0.900 nan 8.290 nan 0.000 0.551 282 K N -2.575 117.895 120.400 0.116 0.000 1.787 282 K HA -0.024 4.296 4.320 0.001 0.000 0.147 282 K C -2.617 174.095 176.600 0.186 0.000 2.588 282 K CA 0.725 57.090 56.287 0.129 0.000 1.184 282 K CB -0.805 31.764 32.500 0.115 0.000 2.861 282 K HN 0.678 nan 8.250 nan 0.000 0.341 283 P HA 0.339 nan 4.420 nan 0.000 0.278 283 P C -1.176 176.344 177.300 0.366 0.000 1.238 283 P CA 0.157 63.416 63.100 0.266 0.000 0.794 283 P CB 0.456 32.283 31.700 0.213 0.000 0.955 284 F N 1.295 121.362 119.950 0.195 0.000 2.635 284 F HA 0.610 5.137 4.527 0.001 0.000 0.314 284 F C -1.653 174.191 175.800 0.072 0.000 1.119 284 F CA -0.847 57.237 58.000 0.141 0.000 1.000 284 F CB 1.400 40.502 39.000 0.170 0.000 1.278 284 F HN 0.438 nan 8.300 nan 0.000 0.446 285 A N 5.237 127.704 122.820 -0.588 0.000 2.330 285 A HA 0.842 5.162 4.320 0.001 0.000 0.327 285 A C -2.123 174.859 177.584 -1.004 0.000 1.155 285 A CA -0.508 51.132 52.037 -0.661 0.000 0.803 285 A CB 0.882 19.739 19.000 -0.238 0.000 1.208 285 A HN 0.855 nan 8.150 nan 0.000 0.477 286 F N 1.557 120.897 119.950 -1.017 0.000 2.604 286 F HA 0.665 5.193 4.527 0.001 0.000 0.316 286 F C 0.085 175.598 175.800 -0.479 0.000 1.136 286 F CA 0.587 58.131 58.000 -0.761 0.000 0.989 286 F CB 1.619 40.146 39.000 -0.788 0.000 1.258 286 F HN 1.169 nan 8.300 nan 0.000 0.451 287 G N 4.399 112.627 108.800 -0.953 0.000 2.364 287 G HA2 0.286 4.247 3.960 0.001 0.000 0.286 287 G HA3 0.286 4.247 3.960 0.001 0.000 0.286 287 G C -2.194 172.483 174.900 -0.371 0.000 1.241 287 G CA -0.964 43.712 45.100 -0.706 0.000 0.887 287 G HN 0.579 nan 8.290 nan 0.000 0.484 288 K N 0.766 121.023 120.400 -0.239 0.000 2.307 288 K HA 0.618 4.939 4.320 0.001 0.000 0.263 288 K C -0.267 176.155 176.600 -0.296 0.000 0.973 288 K CA -0.444 55.631 56.287 -0.352 0.000 0.846 288 K CB 1.133 33.386 32.500 -0.412 0.000 1.100 288 K HN 0.414 nan 8.250 nan 0.000 0.438 289 L N 1.210 122.263 121.223 -0.284 0.000 2.657 289 L HA 0.230 4.570 4.340 0.001 0.000 0.240 289 L C 1.847 178.576 176.870 -0.235 0.000 1.151 289 L CA -0.418 54.294 54.840 -0.214 0.000 0.831 289 L CB 0.622 42.612 42.059 -0.115 0.000 1.539 289 L HN 0.656 nan 8.230 nan 0.000 0.511 290 S N -0.064 115.535 115.700 -0.168 0.000 2.382 290 S HA -0.073 4.397 4.470 0.001 0.000 0.228 290 S C 0.909 175.405 174.600 -0.173 0.000 1.027 290 S CA 1.239 59.347 58.200 -0.153 0.000 0.991 290 S CB -0.152 62.986 63.200 -0.103 0.000 0.823 290 S HN 0.567 nan 8.310 nan 0.000 0.469 291 N N 0.572 119.173 118.700 -0.165 0.000 2.305 291 N HA 0.179 4.920 4.740 0.001 0.000 0.248 291 N C -0.815 174.582 175.510 -0.188 0.000 1.290 291 N CA 0.157 53.113 53.050 -0.158 0.000 0.873 291 N CB 1.250 39.687 38.487 -0.084 0.000 1.261 291 N HN 0.401 nan 8.380 nan 0.000 0.504 292 S N -1.105 114.423 115.700 -0.285 0.000 2.587 292 S HA 0.531 5.001 4.470 0.001 0.000 0.269 292 S C -1.830 172.529 174.600 -0.401 0.000 1.154 292 S CA -0.956 57.095 58.200 -0.249 0.000 0.824 292 S CB 1.191 64.370 63.200 -0.035 0.000 1.118 292 S HN 0.169 nan 8.310 nan 0.000 0.462 293 W N 1.050 122.357 121.300 0.011 0.000 2.438 293 W HA 0.698 5.358 4.660 0.001 0.000 0.324 293 W C -0.490 176.035 176.519 0.010 0.000 1.119 293 W CA -0.564 56.747 57.345 -0.056 0.000 1.221 293 W CB 1.077 30.531 29.460 -0.009 0.000 1.253 293 W HN 0.625 nan 8.180 nan 0.000 0.555 294 F N 3.271 123.218 119.950 -0.005 0.000 2.458 294 F HA 0.648 5.175 4.527 0.001 0.000 0.336 294 F C -0.757 175.009 175.800 -0.057 0.000 1.114 294 F CA -1.357 56.627 58.000 -0.026 0.000 0.987 294 F CB 0.702 39.657 39.000 -0.074 0.000 1.130 294 F HN 0.200 nan 8.300 nan 0.000 0.458 295 C N 4.238 122.962 119.300 -0.959 0.000 2.369 295 C HA 0.804 5.264 4.460 0.001 0.000 0.322 295 C C 0.340 174.595 174.990 -1.225 0.000 1.258 295 C CA -0.846 57.689 59.018 -0.804 0.000 1.487 295 C CB 0.591 28.256 27.740 -0.125 0.000 2.165 295 C HN 1.071 nan 8.230 nan 0.000 0.483 296 G N 3.584 111.758 108.800 -1.043 0.000 2.487 296 G HA2 0.657 4.618 3.960 0.001 0.000 0.314 296 G HA3 0.657 4.618 3.960 0.001 0.000 0.314 296 G C -0.961 173.860 174.900 -0.131 0.000 1.267 296 G CA -0.302 44.512 45.100 -0.477 0.000 0.937 296 G HN 0.688 nan 8.290 nan 0.000 0.481 297 L N 3.478 124.722 121.223 0.035 0.000 2.334 297 L HA 0.504 4.845 4.340 0.001 0.000 0.275 297 L C -1.796 175.169 176.870 0.157 0.000 1.036 297 L CA -2.166 52.782 54.840 0.180 0.000 0.807 297 L CB 2.380 44.542 42.059 0.171 0.000 1.231 297 L HN 0.328 nan 8.230 nan 0.000 0.438 298 P HA 0.047 nan 4.420 nan 0.000 0.272 298 P C 0.418 177.798 177.300 0.133 0.000 1.230 298 P CA -0.234 62.961 63.100 0.158 0.000 0.788 298 P CB 0.929 32.730 31.700 0.168 0.000 0.949 299 G N 1.566 110.435 108.800 0.116 0.000 2.408 299 G HA2 -0.183 3.777 3.960 0.001 0.000 0.217 299 G HA3 -0.183 3.777 3.960 0.001 0.000 0.217 299 G C 0.770 175.734 174.900 0.108 0.000 1.150 299 G CA 0.244 45.404 45.100 0.100 0.000 0.776 299 G HN 0.593 nan 8.290 nan 0.000 0.542 300 N N 1.203 119.977 118.700 0.124 0.000 2.357 300 N HA 0.108 4.849 4.740 0.001 0.000 0.257 300 N C -1.154 174.463 175.510 0.178 0.000 1.250 300 N CA -1.018 52.119 53.050 0.144 0.000 0.862 300 N CB 1.454 40.034 38.487 0.154 0.000 1.066 300 N HN -0.090 nan 8.380 nan 0.000 0.468 301 P HA -0.145 nan 4.420 nan 0.000 0.216 301 P C 1.159 178.749 177.300 0.483 0.000 1.153 301 P CA 0.810 64.066 63.100 0.260 0.000 0.848 301 P CB 0.175 31.983 31.700 0.181 0.000 0.787 302 V N 0.041 120.235 119.914 0.468 0.000 2.343 302 V HA -0.206 3.915 4.120 0.001 0.000 0.247 302 V C 2.453 178.751 176.094 0.340 0.000 1.051 302 V CA 2.381 64.952 62.300 0.450 0.000 1.036 302 V CB -1.551 30.411 31.823 0.231 0.000 0.654 302 V HN 0.150 nan 8.190 nan 0.000 0.451 303 S N 0.394 116.241 115.700 0.244 0.000 2.383 303 S HA -0.114 4.356 4.470 0.001 0.000 0.227 303 S C 2.196 176.910 174.600 0.189 0.000 1.026 303 S CA 1.343 59.653 58.200 0.184 0.000 0.981 303 S CB -0.441 62.853 63.200 0.157 0.000 0.818 303 S HN 0.643 nan 8.310 nan 0.000 0.472 304 A N 1.451 124.399 122.820 0.214 0.000 1.897 304 A HA -0.061 4.260 4.320 0.001 0.000 0.215 304 A C 2.335 180.063 177.584 0.241 0.000 1.181 304 A CA 1.841 54.000 52.037 0.204 0.000 0.620 304 A CB -1.329 17.771 19.000 0.168 0.000 0.821 304 A HN 0.440 nan 8.150 nan 0.000 0.443 305 T N 0.458 115.182 114.554 0.284 0.000 2.720 305 T HA -0.129 4.222 4.350 0.001 0.000 0.268 305 T C 1.840 176.726 174.700 0.309 0.000 1.037 305 T CA 1.407 63.681 62.100 0.290 0.000 1.144 305 T CB -0.293 68.749 68.868 0.290 0.000 0.864 305 T HN 0.317 nan 8.240 nan 0.000 0.444 306 L N 1.007 122.388 121.223 0.263 0.000 2.109 306 L HA -0.059 4.281 4.340 0.001 0.000 0.207 306 L C 2.228 179.081 176.870 -0.028 0.000 1.086 306 L CA 1.852 56.761 54.840 0.114 0.000 0.760 306 L CB -1.500 40.576 42.059 0.027 0.000 0.910 306 L HN 0.267 nan 8.230 nan 0.000 0.437 307 T N 0.162 114.716 114.554 -0.001 0.000 2.788 307 T HA -0.214 4.137 4.350 0.001 0.000 0.268 307 T C 1.586 176.231 174.700 -0.092 0.000 1.044 307 T CA 1.688 63.717 62.100 -0.118 0.000 1.139 307 T CB -0.461 68.387 68.868 -0.033 0.000 0.867 307 T HN 0.403 nan 8.240 nan 0.000 0.454 308 F N 0.766 120.712 119.950 -0.007 0.000 2.069 308 F HA -0.156 4.371 4.527 0.001 0.000 0.298 308 F C 2.176 177.989 175.800 0.023 0.000 1.113 308 F CA 1.221 59.233 58.000 0.021 0.000 1.214 308 F CB -0.543 38.495 39.000 0.062 0.000 0.978 308 F HN 0.160 nan 8.300 nan 0.000 0.474 309 Y N 0.719 121.075 120.300 0.092 0.000 2.224 309 Y HA -0.224 4.326 4.550 0.001 0.000 0.289 309 Y C 2.261 178.070 175.900 -0.151 0.000 1.146 309 Y CA 1.900 60.031 58.100 0.051 0.000 1.182 309 Y CB -0.190 38.421 38.460 0.250 0.000 0.983 309 Y HN 0.168 nan 8.280 nan 0.000 0.524 310 Q N -0.926 118.830 119.800 -0.073 0.000 2.402 310 Q HA 0.107 4.447 4.340 0.001 0.000 0.206 310 Q C 1.697 177.524 176.000 -0.289 0.000 0.919 310 Q CA 0.729 56.407 55.803 -0.210 0.000 0.923 310 Q CB 0.858 29.350 28.738 -0.410 0.000 1.048 310 Q HN 0.534 nan 8.270 nan 0.000 0.515 311 L N -1.506 119.493 121.223 -0.373 0.000 2.641 311 L HA 0.088 4.429 4.340 0.001 0.000 0.207 311 L C 1.970 178.614 176.870 -0.378 0.000 1.049 311 L CA 0.208 54.804 54.840 -0.406 0.000 0.866 311 L CB 0.198 41.877 42.059 -0.632 0.000 1.264 311 L HN -0.146 nan 8.230 nan 0.000 0.483 312 V N 0.235 119.873 119.914 -0.460 0.000 2.453 312 V HA -0.239 3.881 4.120 0.001 0.000 0.247 312 V C 2.298 178.041 176.094 -0.586 0.000 1.048 312 V CA 1.804 63.824 62.300 -0.466 0.000 1.049 312 V CB -0.348 31.141 31.823 -0.557 0.000 0.672 312 V HN 0.479 nan 8.190 nan 0.000 0.457 313 Q N 0.666 120.008 119.800 -0.762 0.000 2.030 313 Q HA -0.187 4.154 4.340 0.001 0.000 0.204 313 Q C -0.140 175.670 176.000 -0.316 0.000 0.986 313 Q CA 2.553 58.022 55.803 -0.555 0.000 0.843 313 Q CB -0.986 27.436 28.738 -0.527 0.000 0.904 313 Q HN 0.519 nan 8.270 nan 0.000 0.420 314 P HA -0.150 nan 4.420 nan 0.000 0.217 314 P C 1.526 178.724 177.300 -0.171 0.000 1.150 314 P CA 0.816 63.799 63.100 -0.195 0.000 0.832 314 P CB -0.234 31.360 31.700 -0.177 0.000 0.787 315 L N -0.266 120.841 121.223 -0.195 0.000 2.021 315 L HA -0.187 4.153 4.340 0.001 0.000 0.215 315 L C 2.359 179.162 176.870 -0.111 0.000 1.074 315 L CA 1.928 56.672 54.840 -0.160 0.000 0.760 315 L CB -1.497 40.471 42.059 -0.151 0.000 0.889 315 L HN -0.167 nan 8.230 nan 0.000 0.433 316 L N -0.814 120.342 121.223 -0.111 0.000 2.093 316 L HA -0.122 4.218 4.340 0.001 0.000 0.208 316 L C 2.683 179.521 176.870 -0.054 0.000 1.085 316 L CA 0.993 55.798 54.840 -0.058 0.000 0.755 316 L CB -0.979 41.051 42.059 -0.050 0.000 0.904 316 L HN 0.392 nan 8.230 nan 0.000 0.435 317 A N 0.354 123.125 122.820 -0.081 0.000 1.902 317 A HA -0.255 4.066 4.320 0.001 0.000 0.217 317 A C 2.414 179.966 177.584 -0.053 0.000 1.181 317 A CA 2.029 54.026 52.037 -0.066 0.000 0.623 317 A CB -0.411 18.540 19.000 -0.081 0.000 0.818 317 A HN 0.340 nan 8.150 nan 0.000 0.443 318 K N -0.436 119.925 120.400 -0.064 0.000 2.057 318 K HA 0.022 4.342 4.320 0.001 0.000 0.206 318 K C 1.850 178.433 176.600 -0.029 0.000 1.050 318 K CA 1.094 57.350 56.287 -0.052 0.000 0.935 318 K CB -0.275 32.183 32.500 -0.070 0.000 0.715 318 K HN 0.442 nan 8.250 nan 0.000 0.439 319 L N 1.162 122.371 121.223 -0.023 0.000 2.141 319 L HA -0.143 4.197 4.340 0.001 0.000 0.209 319 L C 2.386 179.269 176.870 0.021 0.000 1.094 319 L CA 1.379 56.228 54.840 0.016 0.000 0.763 319 L CB -0.400 41.685 42.059 0.045 0.000 0.908 319 L HN 0.361 nan 8.230 nan 0.000 0.437 320 S N -0.743 114.960 115.700 0.004 0.000 2.507 320 S HA -0.039 4.432 4.470 0.001 0.000 0.235 320 S C 1.629 176.229 174.600 -0.000 0.000 0.988 320 S CA 0.790 58.992 58.200 0.004 0.000 0.944 320 S CB -0.012 63.183 63.200 -0.008 0.000 0.762 320 S HN 0.593 nan 8.310 nan 0.000 0.526 321 G N 1.063 109.862 108.800 -0.002 0.000 2.194 321 G HA2 -0.267 3.693 3.960 0.001 0.000 0.236 321 G HA3 -0.267 3.693 3.960 0.001 0.000 0.236 321 G C -0.023 174.869 174.900 -0.013 0.000 0.987 321 G CA -0.031 45.067 45.100 -0.003 0.000 0.635 321 G HN 0.671 nan 8.290 nan 0.000 0.520 322 N N 1.504 120.191 118.700 -0.022 0.000 2.411 322 N HA 0.257 4.998 4.740 0.001 0.000 0.261 322 N C 1.675 177.170 175.510 -0.025 0.000 1.248 322 N CA 1.186 54.218 53.050 -0.029 0.000 0.885 322 N CB 0.939 39.403 38.487 -0.039 0.000 1.062 322 N HN 0.523 nan 8.380 nan 0.000 0.471 323 T N 0.098 114.640 114.554 -0.020 0.000 3.086 323 T HA 0.297 4.647 4.350 0.001 0.000 0.250 323 T C 0.734 175.424 174.700 -0.017 0.000 1.074 323 T CA -0.243 61.848 62.100 -0.015 0.000 0.988 323 T CB -0.052 68.813 68.868 -0.006 0.000 0.988 323 T HN 0.536 nan 8.240 nan 0.000 0.530 324 A N 2.567 125.374 122.820 -0.021 0.000 2.537 324 A HA 0.432 4.752 4.320 0.001 0.000 0.260 324 A C 0.891 178.462 177.584 -0.022 0.000 1.082 324 A CA -0.049 51.976 52.037 -0.020 0.000 0.765 324 A CB -0.393 18.592 19.000 -0.025 0.000 1.019 324 A HN 0.645 nan 8.150 nan 0.000 0.507 325 S N 2.936 118.627 115.700 -0.016 0.000 2.835 325 S HA 0.574 5.044 4.470 0.001 0.000 0.286 325 S C 0.145 174.736 174.600 -0.015 0.000 1.194 325 S CA 0.078 58.267 58.200 -0.019 0.000 1.031 325 S CB -0.120 63.070 63.200 -0.016 0.000 1.216 325 S HN 1.735 nan 8.310 nan 0.000 0.502 326 G N 3.786 112.575 108.800 -0.019 0.000 2.413 326 G HA2 0.461 4.421 3.960 0.001 0.000 0.285 326 G HA3 0.461 4.421 3.960 0.001 0.000 0.285 326 G C -0.864 174.029 174.900 -0.012 0.000 1.337 326 G CA -0.915 44.180 45.100 -0.009 0.000 1.324 326 G HN 0.673 nan 8.290 nan 0.000 0.611 327 L N 3.081 124.301 121.223 -0.004 0.000 2.416 327 L HA 0.320 4.660 4.340 0.001 0.000 0.272 327 L C -1.329 175.568 176.870 0.045 0.000 1.161 327 L CA -1.375 53.473 54.840 0.013 0.000 0.845 327 L CB -0.041 42.032 42.059 0.022 0.000 1.119 327 L HN 0.295 nan 8.230 nan 0.000 0.464 328 P HA 0.080 nan 4.420 nan 0.000 0.272 328 P C -0.643 176.728 177.300 0.119 0.000 1.243 328 P CA -0.492 62.673 63.100 0.108 0.000 0.803 328 P CB 0.368 32.171 31.700 0.171 0.000 0.974 329 A N 1.414 124.305 122.820 0.118 0.000 2.401 329 A HA 0.385 4.705 4.320 0.001 0.000 0.259 329 A C 0.282 177.928 177.584 0.104 0.000 1.103 329 A CA -0.171 51.922 52.037 0.093 0.000 0.789 329 A CB -0.074 18.974 19.000 0.079 0.000 1.035 329 A HN 0.446 nan 8.150 nan 0.000 0.491 330 R N 0.654 121.201 120.500 0.078 0.000 2.803 330 R HA 0.579 4.919 4.340 0.001 0.000 0.276 330 R C -0.666 175.664 176.300 0.050 0.000 0.978 330 R CA -0.586 55.557 56.100 0.072 0.000 0.939 330 R CB 2.050 32.388 30.300 0.063 0.000 1.179 330 R HN 0.979 nan 8.270 nan 0.000 0.472 331 Q N 0.988 120.818 119.800 0.050 0.000 2.511 331 Q HA 0.440 4.781 4.340 0.001 0.000 0.289 331 Q C -1.315 174.724 176.000 0.064 0.000 1.021 331 Q CA -1.133 54.698 55.803 0.047 0.000 0.785 331 Q CB 2.153 30.921 28.738 0.050 0.000 1.472 331 Q HN 0.380 nan 8.270 nan 0.000 0.411 332 R N 1.107 121.656 120.500 0.082 0.000 2.254 332 R HA 0.663 5.003 4.340 0.001 0.000 0.318 332 R C -1.411 175.076 176.300 0.312 0.000 1.031 332 R CA -0.288 55.908 56.100 0.161 0.000 0.905 332 R CB 1.282 31.618 30.300 0.060 0.000 1.050 332 R HN 0.531 nan 8.270 nan 0.000 0.456 333 V N 4.168 124.275 119.914 0.321 0.000 3.087 333 V HA 0.405 4.526 4.120 0.001 0.000 0.306 333 V C -0.520 175.564 176.094 -0.017 0.000 1.187 333 V CA -1.053 61.361 62.300 0.190 0.000 0.999 333 V CB 2.404 34.266 31.823 0.065 0.000 1.049 333 V HN 0.802 nan 8.190 nan 0.000 0.431 334 R N 1.084 121.381 120.500 -0.338 0.000 2.441 334 R HA 0.512 4.852 4.340 0.001 0.000 0.284 334 R C -0.296 175.860 176.300 -0.240 0.000 1.070 334 R CA -0.418 55.402 56.100 -0.466 0.000 1.047 334 R CB 0.859 30.767 30.300 -0.654 0.000 1.016 334 R HN 0.786 nan 8.270 nan 0.000 0.477 335 T N 0.562 115.000 114.554 -0.193 0.000 2.897 335 T HA 0.221 4.572 4.350 0.001 0.000 0.294 335 T C 0.977 175.596 174.700 -0.135 0.000 1.004 335 T CA -0.612 61.408 62.100 -0.134 0.000 1.106 335 T CB 1.624 70.430 68.868 -0.103 0.000 0.949 335 T HN 0.707 nan 8.240 nan 0.000 0.520 336 A N 2.230 124.984 122.820 -0.109 0.000 2.308 336 A HA 0.478 4.799 4.320 0.001 0.000 0.217 336 A C 0.869 178.406 177.584 -0.078 0.000 1.216 336 A CA -0.345 51.635 52.037 -0.094 0.000 0.864 336 A CB 0.141 19.090 19.000 -0.084 0.000 0.902 336 A HN 0.645 nan 8.150 nan 0.000 0.499 337 S N -0.637 115.016 115.700 -0.077 0.000 2.568 337 S HA 0.557 5.028 4.470 0.001 0.000 0.293 337 S C -0.256 174.305 174.600 -0.064 0.000 1.089 337 S CA -0.759 57.402 58.200 -0.065 0.000 0.945 337 S CB 1.754 64.915 63.200 -0.064 0.000 1.077 337 S HN 0.533 nan 8.310 nan 0.000 0.485 338 R N 1.566 122.032 120.500 -0.056 0.000 2.357 338 R HA 0.534 4.875 4.340 0.001 0.000 0.296 338 R C -1.381 174.887 176.300 -0.053 0.000 1.052 338 R CA -0.294 55.775 56.100 -0.052 0.000 0.988 338 R CB 0.200 30.473 30.300 -0.044 0.000 1.025 338 R HN 0.599 nan 8.270 nan 0.000 0.469 339 L N 4.266 125.458 121.223 -0.051 0.000 2.362 339 L HA 0.453 4.794 4.340 0.001 0.000 0.275 339 L C -0.312 176.528 176.870 -0.049 0.000 0.998 339 L CA -0.901 53.907 54.840 -0.054 0.000 0.820 339 L CB 2.043 44.071 42.059 -0.052 0.000 1.270 339 L HN 0.558 nan 8.230 nan 0.000 0.415 340 K N 3.147 123.513 120.400 -0.056 0.000 2.276 340 K HA 0.392 4.712 4.320 0.001 0.000 0.285 340 K C -0.612 175.962 176.600 -0.043 0.000 1.062 340 K CA -0.347 55.909 56.287 -0.051 0.000 0.918 340 K CB 1.058 33.518 32.500 -0.066 0.000 1.055 340 K HN 0.306 nan 8.250 nan 0.000 0.477 341 K N 1.429 121.809 120.400 -0.033 0.000 2.525 341 K HA 0.292 4.613 4.320 0.001 0.000 0.254 341 K C -1.511 175.077 176.600 -0.020 0.000 0.934 341 K CA -0.420 55.850 56.287 -0.027 0.000 0.802 341 K CB 1.940 34.420 32.500 -0.032 0.000 1.295 341 K HN 0.308 nan 8.250 nan 0.000 0.433 342 T N 5.855 120.400 114.554 -0.014 0.000 2.770 342 T HA 0.461 4.811 4.350 0.001 0.000 0.283 342 T C -2.608 172.088 174.700 -0.007 0.000 0.988 342 T CA -1.478 60.618 62.100 -0.007 0.000 0.957 342 T CB 1.415 70.283 68.868 -0.000 0.000 0.930 342 T HN 0.459 nan 8.240 nan 0.000 0.443 343 P HA 0.269 nan 4.420 nan 0.000 0.266 343 P C 1.027 178.326 177.300 -0.002 0.000 1.193 343 P CA 0.814 63.910 63.100 -0.007 0.000 0.770 343 P CB 0.407 32.103 31.700 -0.007 0.000 0.836 344 G N 1.565 110.363 108.800 -0.003 0.000 2.336 344 G HA2 -0.139 3.821 3.960 0.001 0.000 0.194 344 G HA3 -0.139 3.821 3.960 0.001 0.000 0.194 344 G C -0.060 174.844 174.900 0.006 0.000 0.999 344 G CA -0.501 44.601 45.100 0.003 0.000 0.669 344 G HN 0.588 nan 8.290 nan 0.000 0.482 345 R N -0.565 119.939 120.500 0.005 0.000 2.651 345 R HA 0.576 4.917 4.340 0.001 0.000 0.278 345 R C -1.147 175.152 176.300 -0.002 0.000 1.010 345 R CA -1.058 55.051 56.100 0.014 0.000 0.896 345 R CB 2.074 32.395 30.300 0.035 0.000 1.211 345 R HN 0.170 nan 8.270 nan 0.000 0.456 346 L N 2.439 123.661 121.223 -0.001 0.000 2.500 346 L HA 0.088 4.428 4.340 0.001 0.000 0.272 346 L C -0.436 176.416 176.870 -0.030 0.000 1.149 346 L CA 0.622 55.427 54.840 -0.057 0.000 0.897 346 L CB 0.033 42.069 42.059 -0.040 0.000 1.178 346 L HN 0.450 nan 8.230 nan 0.000 0.473 347 D N 4.803 125.144 120.400 -0.099 0.000 2.373 347 D HA 0.149 4.790 4.640 0.001 0.000 0.227 347 D C -0.763 175.468 176.300 -0.114 0.000 1.091 347 D CA -0.202 53.782 54.000 -0.028 0.000 0.840 347 D CB 0.305 41.089 40.800 -0.028 0.000 1.060 347 D HN 0.281 nan 8.370 nan 0.000 0.502 348 F N 3.219 123.129 119.950 -0.066 0.000 2.626 348 F HA 0.172 4.699 4.527 0.001 0.000 0.353 348 F C 1.388 177.220 175.800 0.052 0.000 1.230 348 F CA -0.376 57.573 58.000 -0.084 0.000 1.298 348 F CB -0.047 38.730 39.000 -0.372 0.000 1.670 348 F HN 0.112 nan 8.300 nan 0.000 0.633 349 Q N 1.073 120.954 119.800 0.135 0.000 2.417 349 Q HA 0.329 4.670 4.340 0.001 0.000 0.241 349 Q C 0.119 176.194 176.000 0.126 0.000 1.008 349 Q CA -0.424 55.432 55.803 0.087 0.000 0.901 349 Q CB 0.874 29.615 28.738 0.005 0.000 1.259 349 Q HN 0.351 nan 8.270 nan 0.000 0.489 350 R N -0.273 120.218 120.500 -0.015 0.000 2.474 350 R HA 0.652 4.993 4.340 0.001 0.000 0.295 350 R C -0.302 175.903 176.300 -0.158 0.000 0.980 350 R CA -0.070 55.954 56.100 -0.127 0.000 0.934 350 R CB 1.720 31.864 30.300 -0.260 0.000 1.101 350 R HN 0.742 nan 8.270 nan 0.000 0.469 351 G N -0.138 108.518 108.800 -0.239 0.000 2.694 351 G HA2 0.525 4.485 3.960 0.001 0.000 0.290 351 G HA3 0.525 4.485 3.960 0.001 0.000 0.290 351 G C -1.575 173.171 174.900 -0.257 0.000 1.386 351 G CA -0.572 44.405 45.100 -0.204 0.000 0.872 351 G HN 0.344 nan 8.290 nan 0.000 0.475 352 V N 1.121 120.926 119.914 -0.181 0.000 2.334 352 V HA 0.404 4.524 4.120 0.001 0.000 0.281 352 V C -0.317 175.696 176.094 -0.136 0.000 1.016 352 V CA -0.668 61.534 62.300 -0.162 0.000 0.832 352 V CB 0.967 32.723 31.823 -0.111 0.000 0.999 352 V HN 0.635 nan 8.190 nan 0.000 0.439 353 L N 6.246 127.381 121.223 -0.147 0.000 2.312 353 L HA 0.642 4.983 4.340 0.001 0.000 0.281 353 L C -0.087 176.736 176.870 -0.079 0.000 1.070 353 L CA 0.590 55.366 54.840 -0.108 0.000 0.805 353 L CB 1.098 43.089 42.059 -0.114 0.000 1.174 353 L HN 0.884 nan 8.230 nan 0.000 0.434 354 Q N 4.792 124.555 119.800 -0.061 0.000 2.472 354 Q HA 0.418 4.758 4.340 0.001 0.000 0.281 354 Q C -1.367 174.610 176.000 -0.038 0.000 0.997 354 Q CA -0.969 54.806 55.803 -0.047 0.000 0.828 354 Q CB 1.331 30.040 28.738 -0.048 0.000 1.443 354 Q HN 0.623 nan 8.270 nan 0.000 0.390 355 R N 1.933 122.417 120.500 -0.028 0.000 2.340 355 R HA 0.188 4.529 4.340 0.001 0.000 0.300 355 R C 0.201 176.486 176.300 -0.026 0.000 1.069 355 R CA -0.141 55.946 56.100 -0.023 0.000 0.984 355 R CB 0.600 30.891 30.300 -0.014 0.000 1.003 355 R HN 0.777 nan 8.270 nan 0.000 0.459 356 N N 2.146 120.828 118.700 -0.030 0.000 2.374 356 N HA 0.044 4.784 4.740 0.001 0.000 0.284 356 N C 0.723 176.219 175.510 -0.022 0.000 1.280 356 N CA 0.073 53.105 53.050 -0.031 0.000 0.963 356 N CB 0.138 38.601 38.487 -0.040 0.000 1.141 356 N HN 0.429 nan 8.380 nan 0.000 0.565 357 A N -0.794 122.013 122.820 -0.022 0.000 1.972 357 A HA -0.142 4.179 4.320 0.001 0.000 0.219 357 A C 1.268 178.844 177.584 -0.013 0.000 1.169 357 A CA 1.660 53.687 52.037 -0.016 0.000 0.635 357 A CB -0.800 18.190 19.000 -0.017 0.000 0.810 357 A HN 0.710 nan 8.150 nan 0.000 0.446 358 D N -1.285 119.106 120.400 -0.015 0.000 2.378 358 D HA 0.234 4.874 4.640 0.001 0.000 0.227 358 D C 1.447 177.744 176.300 -0.006 0.000 1.012 358 D CA 1.194 55.188 54.000 -0.011 0.000 0.905 358 D CB -0.106 40.686 40.800 -0.013 0.000 0.895 358 D HN 0.595 nan 8.370 nan 0.000 0.532 359 G N 0.699 109.494 108.800 -0.008 0.000 2.159 359 G HA2 -0.315 3.645 3.960 0.001 0.000 0.256 359 G HA3 -0.315 3.645 3.960 0.001 0.000 0.256 359 G C 0.172 175.070 174.900 -0.002 0.000 0.977 359 G CA 0.019 45.116 45.100 -0.004 0.000 0.652 359 G HN 0.386 nan 8.290 nan 0.000 0.531 360 E N -0.534 119.662 120.200 -0.007 0.000 2.331 360 E HA 0.524 4.874 4.350 0.001 0.000 0.272 360 E C 0.050 176.640 176.600 -0.016 0.000 1.036 360 E CA -0.854 55.543 56.400 -0.005 0.000 0.864 360 E CB 1.191 30.883 29.700 -0.013 0.000 1.035 360 E HN 0.128 nan 8.360 nan 0.000 0.408 361 L N 3.932 125.152 121.223 -0.004 0.000 2.315 361 L HA 0.118 4.458 4.340 0.001 0.000 0.283 361 L C -0.078 176.768 176.870 -0.040 0.000 1.089 361 L CA 0.675 55.507 54.840 -0.013 0.000 0.833 361 L CB 0.028 42.093 42.059 0.011 0.000 1.170 361 L HN 0.542 nan 8.230 nan 0.000 0.442 362 E N 4.124 124.289 120.200 -0.058 0.000 2.392 362 E HA 0.704 5.055 4.350 0.001 0.000 0.269 362 E C -1.787 174.766 176.600 -0.079 0.000 0.924 362 E CA -0.937 55.412 56.400 -0.084 0.000 0.784 362 E CB 2.064 31.702 29.700 -0.103 0.000 1.292 362 E HN 0.227 nan 8.360 nan 0.000 0.447 363 V N 0.920 120.781 119.914 -0.089 0.000 2.680 363 V HA 0.500 4.620 4.120 0.001 0.000 0.309 363 V C -0.336 175.704 176.094 -0.090 0.000 1.052 363 V CA -0.683 61.563 62.300 -0.090 0.000 0.908 363 V CB 1.808 33.577 31.823 -0.089 0.000 1.001 363 V HN 0.814 nan 8.190 nan 0.000 0.431 364 T N 1.718 116.218 114.554 -0.091 0.000 2.885 364 T HA 0.425 4.775 4.350 0.001 0.000 0.285 364 T C 0.030 174.677 174.700 -0.088 0.000 1.019 364 T CA -0.268 61.782 62.100 -0.083 0.000 1.010 364 T CB 1.772 70.596 68.868 -0.074 0.000 1.022 364 T HN 0.887 nan 8.240 nan 0.000 0.466 365 T N 0.586 115.094 114.554 -0.077 0.000 2.860 365 T HA 0.175 4.526 4.350 0.001 0.000 0.299 365 T C 1.605 176.258 174.700 -0.078 0.000 1.045 365 T CA 0.236 62.289 62.100 -0.078 0.000 1.071 365 T CB 0.425 69.252 68.868 -0.068 0.000 0.985 365 T HN 0.785 nan 8.240 nan 0.000 0.537 366 T N 0.295 114.797 114.554 -0.086 0.000 3.081 366 T HA 0.514 4.865 4.350 0.001 0.000 0.250 366 T C 1.150 175.822 174.700 -0.047 0.000 1.100 366 T CA 0.508 62.562 62.100 -0.078 0.000 1.038 366 T CB -0.431 68.374 68.868 -0.105 0.000 0.962 366 T HN 1.334 nan 8.240 nan 0.000 0.516 367 G N 0.597 109.375 108.800 -0.036 0.000 2.297 367 G HA2 -0.025 3.935 3.960 0.001 0.000 0.209 367 G HA3 -0.025 3.935 3.960 0.001 0.000 0.209 367 G C -0.866 174.049 174.900 0.024 0.000 1.267 367 G CA -0.671 44.431 45.100 0.002 0.000 1.127 367 G HN 0.659 nan 8.290 nan 0.000 0.498 368 H N 1.143 120.217 119.070 0.007 0.000 3.001 368 H HA 0.357 4.914 4.556 0.001 0.000 0.334 368 H C 1.198 176.540 175.328 0.023 0.000 1.034 368 H CA 0.954 57.030 56.048 0.046 0.000 1.420 368 H CB 0.810 30.653 29.762 0.135 0.000 1.405 368 H HN 0.350 nan 8.280 nan 0.000 0.593 369 Q N 3.565 123.394 119.800 0.048 0.000 2.198 369 Q HA 0.173 4.513 4.340 0.001 0.000 0.209 369 Q C 0.590 176.677 176.000 0.146 0.000 0.848 369 Q CA 0.139 55.967 55.803 0.042 0.000 0.974 369 Q CB 0.869 29.588 28.738 -0.032 0.000 1.115 369 Q HN 0.792 nan 8.270 nan 0.000 0.494 370 G N 1.009 110.048 108.800 0.398 0.000 2.483 370 G HA2 0.125 4.085 3.960 0.001 0.000 0.248 370 G HA3 0.125 4.085 3.960 0.001 0.000 0.248 370 G C 0.759 175.826 174.900 0.278 0.000 1.248 370 G CA -0.021 45.340 45.100 0.436 0.000 0.838 370 G HN 0.232 nan 8.290 nan 0.000 0.566 371 S N 0.319 116.153 115.700 0.222 0.000 2.720 371 S HA -0.102 4.369 4.470 0.001 0.000 0.222 371 S C 1.538 176.259 174.600 0.202 0.000 0.958 371 S CA 0.746 59.051 58.200 0.176 0.000 0.943 371 S CB -0.440 62.855 63.200 0.158 0.000 0.779 371 S HN 0.852 nan 8.310 nan 0.000 0.526 372 H N 1.678 120.803 119.070 0.093 0.000 2.547 372 H HA 0.318 4.875 4.556 0.001 0.000 0.266 372 H C 0.359 175.737 175.328 0.083 0.000 0.988 372 H CA 0.050 56.141 56.048 0.071 0.000 1.147 372 H CB -0.508 29.267 29.762 0.021 0.000 1.365 372 H HN 0.739 nan 8.280 nan 0.000 0.589 373 I N -4.219 116.238 120.570 -0.190 0.000 2.586 373 I HA 0.218 4.388 4.170 0.001 0.000 0.288 373 I C -0.374 175.779 176.117 0.059 0.000 1.147 373 I CA -1.133 60.086 61.300 -0.134 0.000 1.047 373 I CB 1.204 39.018 38.000 -0.310 0.000 1.244 373 I HN -0.222 nan 8.210 nan 0.000 0.429 374 F N 3.864 123.829 119.950 0.025 0.000 2.558 374 F HA -0.056 4.471 4.527 0.001 0.000 0.298 374 F C 2.473 178.353 175.800 0.133 0.000 1.119 374 F CA 1.587 59.677 58.000 0.149 0.000 1.451 374 F CB 0.440 39.544 39.000 0.172 0.000 1.091 374 F HN 0.739 nan 8.300 nan 0.000 0.563 375 S N -0.778 115.007 115.700 0.141 0.000 2.507 375 S HA -0.155 4.316 4.470 0.001 0.000 0.235 375 S C 2.127 176.711 174.600 -0.026 0.000 0.988 375 S CA 0.999 59.250 58.200 0.085 0.000 0.944 375 S CB -1.043 62.193 63.200 0.059 0.000 0.762 375 S HN 0.442 nan 8.310 nan 0.000 0.526 376 S N 0.512 116.123 115.700 -0.148 0.000 2.447 376 S HA 0.011 4.482 4.470 0.001 0.000 0.233 376 S C 1.400 175.834 174.600 -0.278 0.000 1.006 376 S CA 0.528 58.592 58.200 -0.227 0.000 0.957 376 S CB -1.033 61.986 63.200 -0.301 0.000 0.773 376 S HN 0.577 nan 8.310 nan 0.000 0.507 377 F N 2.963 122.734 119.950 -0.298 0.000 2.146 377 F HA -0.067 4.461 4.527 0.001 0.000 0.298 377 F C 3.041 178.772 175.800 -0.116 0.000 1.096 377 F CA 1.217 58.980 58.000 -0.394 0.000 1.275 377 F CB -0.417 38.092 39.000 -0.817 0.000 1.008 377 F HN 0.323 nan 8.300 nan 0.000 0.480 378 S N 0.517 116.294 115.700 0.129 0.000 2.357 378 S HA -0.133 4.337 4.470 0.001 0.000 0.221 378 S C 1.920 176.569 174.600 0.082 0.000 1.031 378 S CA 0.865 59.145 58.200 0.134 0.000 0.982 378 S CB -1.036 62.242 63.200 0.131 0.000 0.853 378 S HN 0.324 nan 8.310 nan 0.000 0.458 379 L N 1.780 123.023 121.223 0.033 0.000 2.127 379 L HA 0.066 4.406 4.340 0.001 0.000 0.211 379 L C 1.731 178.581 176.870 -0.032 0.000 1.089 379 L CA 0.820 55.658 54.840 -0.004 0.000 0.757 379 L CB -1.096 40.946 42.059 -0.028 0.000 0.899 379 L HN 0.444 nan 8.230 nan 0.000 0.434 380 G N -0.427 108.352 108.800 -0.034 0.000 2.502 380 G HA2 0.276 4.237 3.960 0.001 0.000 0.305 380 G HA3 0.276 4.237 3.960 0.001 0.000 0.305 380 G C 0.120 174.914 174.900 -0.177 0.000 1.190 380 G CA -0.236 44.775 45.100 -0.149 0.000 0.933 380 G HN 0.336 nan 8.290 nan 0.000 0.503 381 N N -2.143 116.250 118.700 -0.511 0.000 2.240 381 N HA 0.172 4.912 4.740 0.001 0.000 0.240 381 N C -0.089 174.674 175.510 -1.246 0.000 1.277 381 N CA -0.011 52.661 53.050 -0.630 0.000 0.873 381 N CB -0.366 37.980 38.487 -0.235 0.000 1.222 381 N HN 0.816 nan 8.380 nan 0.000 0.507 382 C N -2.816 115.356 119.300 -1.879 0.000 3.231 382 C HA 0.676 5.137 4.460 0.001 0.000 0.343 382 C C -1.297 173.089 174.990 -1.006 0.000 1.349 382 C CA -1.743 56.479 59.018 -1.327 0.000 1.209 382 C CB -0.074 27.364 27.740 -0.503 0.000 1.475 382 C HN 0.066 nan 8.230 nan 0.000 0.460 383 F N 1.261 121.105 119.950 -0.176 0.000 2.385 383 F HA 0.672 5.199 4.527 0.001 0.000 0.336 383 F C 0.619 176.377 175.800 -0.070 0.000 1.100 383 F CA -0.663 57.342 58.000 0.007 0.000 1.116 383 F CB 1.124 40.266 39.000 0.237 0.000 1.166 383 F HN 0.403 nan 8.300 nan 0.000 0.511 384 I N 3.926 124.557 120.570 0.102 0.000 2.291 384 I HA 0.184 4.354 4.170 0.001 0.000 0.290 384 I C -0.736 175.350 176.117 -0.053 0.000 1.050 384 I CA -0.606 60.697 61.300 0.006 0.000 1.245 384 I CB 0.831 38.812 38.000 -0.032 0.000 1.405 384 I HN 0.214 nan 8.210 nan 0.000 0.478 385 V N 7.801 127.640 119.914 -0.124 0.000 2.267 385 V HA 0.207 4.327 4.120 0.001 0.000 0.254 385 V C 0.426 176.372 176.094 -0.248 0.000 1.144 385 V CA -0.391 61.697 62.300 -0.352 0.000 0.992 385 V CB -0.050 31.524 31.823 -0.415 0.000 1.199 385 V HN 0.515 nan 8.190 nan 0.000 0.493 386 L N 3.841 124.933 121.223 -0.217 0.000 2.369 386 L HA 0.298 4.638 4.340 0.001 0.000 0.279 386 L C 0.725 177.513 176.870 -0.138 0.000 1.108 386 L CA -0.441 54.319 54.840 -0.135 0.000 0.852 386 L CB 0.357 42.360 42.059 -0.094 0.000 1.169 386 L HN 0.560 nan 8.230 nan 0.000 0.452 387 E N 1.948 122.087 120.200 -0.103 0.000 2.604 387 E HA -0.158 4.192 4.350 0.001 0.000 0.267 387 E C 1.061 177.622 176.600 -0.065 0.000 0.970 387 E CA 0.267 56.617 56.400 -0.083 0.000 0.956 387 E CB 0.425 30.093 29.700 -0.054 0.000 0.939 387 E HN 0.376 nan 8.360 nan 0.000 0.465 388 R N 2.212 122.678 120.500 -0.056 0.000 2.133 388 R HA -0.252 4.088 4.340 0.001 0.000 0.245 388 R C 0.610 176.894 176.300 -0.027 0.000 1.137 388 R CA 2.266 58.344 56.100 -0.036 0.000 0.947 388 R CB 0.008 30.291 30.300 -0.029 0.000 0.865 388 R HN 0.533 nan 8.270 nan 0.000 0.437 389 D N -0.467 119.917 120.400 -0.026 0.000 2.349 389 D HA -0.009 4.632 4.640 0.001 0.000 0.215 389 D C 0.318 176.607 176.300 -0.019 0.000 1.016 389 D CA 0.227 54.215 54.000 -0.019 0.000 0.870 389 D CB -0.042 40.747 40.800 -0.018 0.000 0.917 389 D HN 0.209 nan 8.370 nan 0.000 0.524 390 R N 0.189 120.675 120.500 -0.024 0.000 2.582 390 R HA 0.432 4.773 4.340 0.001 0.000 0.271 390 R C 0.674 176.962 176.300 -0.020 0.000 1.078 390 R CA -0.146 55.942 56.100 -0.021 0.000 1.127 390 R CB 0.787 31.072 30.300 -0.026 0.000 1.038 390 R HN 0.033 nan 8.270 nan 0.000 0.500 391 G N 1.233 110.023 108.800 -0.017 0.000 3.008 391 G HA2 0.147 4.108 3.960 0.001 0.000 0.181 391 G HA3 0.147 4.108 3.960 0.001 0.000 0.181 391 G C -0.754 174.134 174.900 -0.020 0.000 1.309 391 G CA -0.770 44.320 45.100 -0.016 0.000 1.009 391 G HN 0.642 nan 8.290 nan 0.000 0.584 392 N N -0.587 118.101 118.700 -0.020 0.000 2.329 392 N HA 0.153 4.894 4.740 0.001 0.000 0.237 392 N C -0.426 175.070 175.510 -0.024 0.000 1.258 392 N CA 0.274 53.309 53.050 -0.024 0.000 0.866 392 N CB 1.351 39.824 38.487 -0.024 0.000 1.102 392 N HN 0.122 nan 8.380 nan 0.000 0.440 393 V N 1.400 121.296 119.914 -0.030 0.000 2.487 393 V HA 0.235 4.356 4.120 0.001 0.000 0.298 393 V C 0.153 176.224 176.094 -0.038 0.000 1.028 393 V CA -0.859 61.423 62.300 -0.031 0.000 0.860 393 V CB 1.947 33.749 31.823 -0.034 0.000 0.991 393 V HN 0.479 nan 8.190 nan 0.000 0.427 394 E N 2.066 122.243 120.200 -0.038 0.000 2.283 394 E HA 0.418 4.769 4.350 0.001 0.000 0.267 394 E C -0.381 176.181 176.600 -0.062 0.000 1.045 394 E CA -0.720 55.654 56.400 -0.044 0.000 0.884 394 E CB 2.160 31.838 29.700 -0.037 0.000 1.106 394 E HN 0.382 nan 8.360 nan 0.000 0.408 395 V N 1.590 121.464 119.914 -0.066 0.000 2.557 395 V HA 0.188 4.309 4.120 0.001 0.000 0.301 395 V C 1.487 177.519 176.094 -0.104 0.000 1.026 395 V CA 2.004 64.254 62.300 -0.084 0.000 1.137 395 V CB 0.123 31.903 31.823 -0.072 0.000 0.917 395 V HN 1.021 nan 8.190 nan 0.000 0.484 396 G N 3.543 112.252 108.800 -0.151 0.000 2.279 396 G HA2 -0.184 3.777 3.960 0.001 0.000 0.223 396 G HA3 -0.184 3.777 3.960 0.001 0.000 0.223 396 G C 0.154 174.890 174.900 -0.274 0.000 1.015 396 G CA 0.074 45.049 45.100 -0.209 0.000 0.621 396 G HN 0.642 nan 8.290 nan 0.000 0.506 397 E N -0.308 119.787 120.200 -0.174 0.000 2.438 397 E HA 0.257 4.608 4.350 0.001 0.000 0.261 397 E C -0.198 176.279 176.600 -0.205 0.000 1.103 397 E CA -0.165 56.158 56.400 -0.128 0.000 0.959 397 E CB 0.386 30.067 29.700 -0.031 0.000 0.958 397 E HN 0.407 nan 8.360 nan 0.000 0.447 398 W N 1.306 122.589 121.300 -0.028 0.000 2.272 398 W HA 0.378 5.038 4.660 0.001 0.000 0.318 398 W C -0.294 176.204 176.519 -0.036 0.000 1.255 398 W CA -0.190 57.137 57.345 -0.030 0.000 1.200 398 W CB 0.792 30.236 29.460 -0.026 0.000 1.170 398 W HN 0.108 nan 8.180 nan 0.000 0.549 399 V N 3.501 123.537 119.914 0.204 0.000 2.888 399 V HA 0.219 4.339 4.120 0.001 0.000 0.309 399 V C -0.521 175.623 176.094 0.083 0.000 1.114 399 V CA -1.131 61.222 62.300 0.088 0.000 0.940 399 V CB 2.086 33.917 31.823 0.014 0.000 1.021 399 V HN 0.350 nan 8.190 nan 0.000 0.426 400 E N 3.017 123.238 120.200 0.035 0.000 2.290 400 E HA 0.388 4.738 4.350 0.001 0.000 0.277 400 E C -0.908 175.698 176.600 0.010 0.000 1.035 400 E CA 0.056 56.467 56.400 0.019 0.000 0.873 400 E CB 1.852 31.540 29.700 -0.020 0.000 1.029 400 E HN 0.350 nan 8.360 nan 0.000 0.419 401 V N 2.936 122.869 119.914 0.030 0.000 2.604 401 V HA 0.215 4.336 4.120 0.001 0.000 0.305 401 V C -0.167 175.967 176.094 0.067 0.000 1.043 401 V CA -0.612 61.706 62.300 0.030 0.000 0.888 401 V CB 2.053 33.880 31.823 0.008 0.000 0.995 401 V HN 0.621 nan 8.190 nan 0.000 0.429 402 E N 6.004 126.274 120.200 0.116 0.000 2.331 402 E HA 0.417 4.767 4.350 0.001 0.000 0.243 402 E C -2.755 173.949 176.600 0.172 0.000 0.925 402 E CA -2.006 54.518 56.400 0.206 0.000 0.760 402 E CB 1.994 31.918 29.700 0.373 0.000 1.254 402 E HN 0.399 nan 8.360 nan 0.000 0.419 403 P HA -0.041 nan 4.420 nan 0.000 0.264 403 P C -0.650 176.777 177.300 0.213 0.000 1.183 403 P CA 0.124 63.243 63.100 0.032 0.000 0.763 403 P CB 0.146 31.881 31.700 0.060 0.000 0.807 404 F N 2.530 122.500 119.950 0.033 0.000 2.563 404 F HA 0.043 4.570 4.527 0.001 0.000 0.363 404 F C 1.597 177.551 175.800 0.257 0.000 1.123 404 F CA -0.372 57.700 58.000 0.119 0.000 1.307 404 F CB -0.477 38.543 39.000 0.033 0.000 1.115 404 F HN 0.369 nan 8.300 nan 0.000 0.592 405 N N 1.373 120.436 118.700 0.605 0.000 2.418 405 N HA 0.327 5.068 4.740 0.001 0.000 0.283 405 N C 0.669 176.356 175.510 0.294 0.000 1.267 405 N CA -0.002 53.278 53.050 0.383 0.000 0.975 405 N CB -0.148 38.525 38.487 0.310 0.000 1.167 405 N HN 0.477 nan 8.380 nan 0.000 0.581 406 A N -0.565 122.360 122.820 0.175 0.000 2.125 406 A HA -0.029 4.291 4.320 0.001 0.000 0.219 406 A C 2.128 179.732 177.584 0.034 0.000 1.156 406 A CA 0.782 52.883 52.037 0.107 0.000 0.671 406 A CB -1.085 17.961 19.000 0.077 0.000 0.794 406 A HN 0.633 nan 8.150 nan 0.000 0.459 407 L N -2.430 118.780 121.223 -0.021 0.000 2.127 407 L HA -0.167 4.173 4.340 0.001 0.000 0.211 407 L C 1.628 178.173 176.870 -0.542 0.000 1.089 407 L CA 1.334 55.999 54.840 -0.291 0.000 0.757 407 L CB -0.421 41.397 42.059 -0.401 0.000 0.899 407 L HN 0.495 nan 8.230 nan 0.000 0.434 408 F N -0.972 118.987 119.950 0.014 0.000 2.682 408 F HA 0.430 4.957 4.527 0.001 0.000 0.308 408 F C 1.180 177.025 175.800 0.074 0.000 1.093 408 F CA 0.198 58.172 58.000 -0.043 0.000 1.244 408 F CB 0.784 39.613 39.000 -0.284 0.000 1.052 408 F HN 0.080 nan 8.300 nan 0.000 0.573 409 G N 0.000 108.922 108.800 0.203 0.000 5.446 409 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 409 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 409 G CA 0.000 45.196 45.100 0.160 0.000 0.502 409 G HN 0.000 nan 8.290 nan 0.000 0.925