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 1kyo_1_B DATA FIRST_RESID 17 DATA SEQUENCE LTVSARDAPT KISTLAVKVH GGSRYATKDG VAHLLNRFNF QNTNTRSALK DATA SEQUENCE LVRESELLGG TFKSTLDREY ITLKATFLKD DLPYYVNALA DVLYKTAFKP DATA SEQUENCE HELTESVLPA ARYDYAVAEQ CPVKSAEDQL YAITFRKGLG NPLLYDGVER DATA SEQUENCE VSLQDIKDFA DKVYTKENLE VSGENVVEAD LKRFVDESLL STLPAGKSLV DATA SEQUENCE SKSEPKFFLG EENRVRFIGD SVAAIGIPVN KASLAQYEVL ANYLTSALSE DATA SEQUENCE LSGLISSAKL DKFTDGGLFT LFVRDQDSAV VSSNIKKIVA DLKKGKDLSP DATA SEQUENCE AINYTKLKNA VQNESVSSPI ELNFDAVKDF KLGKFNYVAV GDVSNLPYLD DATA SEQUENCE EL 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 17 L HA 0.000 nan 4.340 nan 0.000 0.249 17 L C 0.000 176.897 176.870 0.045 0.000 1.165 17 L CA 0.000 54.864 54.840 0.039 0.000 0.813 17 L CB 0.000 42.072 42.059 0.021 0.000 0.961 18 T N 0.873 115.460 114.554 0.056 0.000 2.853 18 T HA 0.335 4.685 4.350 -0.000 0.000 0.298 18 T C 0.464 175.200 174.700 0.061 0.000 0.978 18 T CA 0.128 62.261 62.100 0.055 0.000 1.152 18 T CB 1.583 70.491 68.868 0.066 0.000 0.914 18 T HN 0.061 nan 8.240 nan 0.000 0.539 19 V N 4.197 124.142 119.914 0.051 0.000 2.304 19 V HA 0.309 4.429 4.120 -0.000 0.000 0.278 19 V C 0.372 176.496 176.094 0.049 0.000 1.018 19 V CA -0.670 61.663 62.300 0.055 0.000 0.814 19 V CB 0.927 32.781 31.823 0.052 0.000 1.021 19 V HN 0.929 nan 8.190 nan 0.000 0.440 20 S N 2.483 118.214 115.700 0.052 0.000 2.694 20 S HA 0.983 5.453 4.470 -0.000 0.000 0.278 20 S C 0.393 175.019 174.600 0.044 0.000 1.152 20 S CA 0.273 58.499 58.200 0.043 0.000 1.010 20 S CB 1.979 65.202 63.200 0.039 0.000 1.104 20 S HN 1.170 nan 8.310 nan 0.000 0.547 21 A N -0.322 122.519 122.820 0.034 0.000 3.269 21 A HA 0.823 5.143 4.320 -0.000 0.000 0.296 21 A C -0.152 177.443 177.584 0.018 0.000 1.061 21 A CA -0.147 51.910 52.037 0.033 0.000 0.577 21 A CB 0.355 19.378 19.000 0.040 0.000 1.557 21 A HN 0.694 nan 8.150 nan 0.000 0.712 22 R N -1.285 119.224 120.500 0.015 0.000 5.339 22 R HA 0.393 4.732 4.340 -0.000 0.000 0.044 22 R C -1.298 175.005 176.300 0.004 0.000 0.774 22 R CA 1.501 57.604 56.100 0.004 0.000 1.626 22 R CB -0.473 29.823 30.300 -0.007 0.000 1.216 22 R HN 1.518 nan 8.270 nan 0.000 0.419 23 D N -1.586 118.815 120.400 0.001 0.000 10.694 23 D HA 0.272 4.912 4.640 -0.000 0.000 0.343 23 D C -1.633 174.662 176.300 -0.008 0.000 3.140 23 D CA 1.138 55.139 54.000 0.002 0.000 2.670 23 D CB -0.439 40.368 40.800 0.012 0.000 1.232 23 D HN 0.739 nan 8.370 nan 0.000 0.946 24 A N 1.508 124.322 122.820 -0.010 0.000 2.522 24 A HA 0.610 4.930 4.320 -0.000 0.000 0.291 24 A C -2.729 174.848 177.584 -0.012 0.000 1.039 24 A CA -0.468 51.561 52.037 -0.013 0.000 0.643 24 A CB 1.362 20.348 19.000 -0.023 0.000 1.310 24 A HN 0.394 nan 8.150 nan 0.000 0.436 25 P HA 0.155 nan 4.420 nan 0.000 0.235 25 P C 0.418 177.708 177.300 -0.016 0.000 1.725 25 P CA 0.640 63.735 63.100 -0.009 0.000 0.894 25 P CB -0.595 31.101 31.700 -0.007 0.000 1.704 26 T N -2.588 111.951 114.554 -0.026 0.000 2.892 26 T HA 0.392 4.742 4.350 -0.000 0.000 0.280 26 T C 1.035 175.712 174.700 -0.039 0.000 1.004 26 T CA -0.426 61.652 62.100 -0.037 0.000 0.950 26 T CB 1.782 70.617 68.868 -0.054 0.000 1.309 26 T HN -0.096 nan 8.240 nan 0.000 0.592 27 K N -0.913 119.456 120.400 -0.052 0.000 2.436 27 K HA 0.322 4.642 4.320 -0.000 0.000 0.198 27 K C 0.092 176.638 176.600 -0.089 0.000 1.174 27 K CA -0.162 56.096 56.287 -0.050 0.000 0.951 27 K CB 0.462 32.941 32.500 -0.035 0.000 1.040 27 K HN 0.417 nan 8.250 nan 0.000 0.536 28 I N 1.510 122.002 120.570 -0.130 0.000 2.385 28 I HA 0.218 4.388 4.170 -0.000 0.000 0.294 28 I C -0.066 175.861 176.117 -0.316 0.000 0.988 28 I CA -0.177 60.994 61.300 -0.216 0.000 1.265 28 I CB 1.499 39.389 38.000 -0.184 0.000 1.388 28 I HN -0.118 nan 8.210 nan 0.000 0.480 29 S N 3.092 118.434 115.700 -0.596 0.000 2.542 29 S HA 0.657 5.127 4.470 -0.000 0.000 0.293 29 S C -0.133 173.852 174.600 -1.025 0.000 1.089 29 S CA -0.661 57.083 58.200 -0.759 0.000 0.961 29 S CB 2.216 64.895 63.200 -0.869 0.000 1.062 29 S HN 0.727 nan 8.310 nan 0.000 0.483 30 T N 0.886 115.098 114.554 -0.570 0.000 2.864 30 T HA 0.557 4.907 4.350 -0.000 0.000 0.299 30 T C -1.009 173.621 174.700 -0.116 0.000 1.011 30 T CA -0.676 61.207 62.100 -0.362 0.000 0.975 30 T CB 0.589 69.334 68.868 -0.205 0.000 0.962 30 T HN 0.327 nan 8.240 nan 0.000 0.448 31 L N 4.532 125.812 121.223 0.094 0.000 2.265 31 L HA 0.830 5.170 4.340 -0.000 0.000 0.288 31 L C -0.140 176.843 176.870 0.190 0.000 1.058 31 L CA -0.401 54.579 54.840 0.234 0.000 0.809 31 L CB 0.337 42.669 42.059 0.455 0.000 1.179 31 L HN 0.954 nan 8.230 nan 0.000 0.429 32 A N 4.842 127.745 122.820 0.139 0.000 2.350 32 A HA 0.782 5.102 4.320 -0.000 0.000 0.324 32 A C -1.183 176.485 177.584 0.139 0.000 1.118 32 A CA -0.563 51.553 52.037 0.132 0.000 0.783 32 A CB 1.607 20.649 19.000 0.070 0.000 1.236 32 A HN 0.489 nan 8.150 nan 0.000 0.457 33 V N 3.271 123.284 119.914 0.164 0.000 2.289 33 V HA 0.226 4.346 4.120 -0.000 0.000 0.272 33 V C -0.045 176.155 176.094 0.177 0.000 1.026 33 V CA -0.490 61.909 62.300 0.165 0.000 0.807 33 V CB 0.698 32.625 31.823 0.173 0.000 1.044 33 V HN 0.885 nan 8.190 nan 0.000 0.443 34 K N 2.983 123.475 120.400 0.152 0.000 2.339 34 K HA 0.601 4.921 4.320 -0.000 0.000 0.286 34 K C -0.720 176.048 176.600 0.279 0.000 1.050 34 K CA -0.080 56.317 56.287 0.183 0.000 0.956 34 K CB 1.435 33.974 32.500 0.064 0.000 0.990 34 K HN 0.463 nan 8.250 nan 0.000 0.475 35 V N 3.763 123.861 119.914 0.306 0.000 2.577 35 V HA 0.093 4.213 4.120 -0.000 0.000 0.303 35 V C -0.219 175.990 176.094 0.191 0.000 1.042 35 V CA -0.917 61.534 62.300 0.252 0.000 0.872 35 V CB 1.488 33.435 31.823 0.207 0.000 0.998 35 V HN 0.817 nan 8.190 nan 0.000 0.423 36 H N 4.099 123.205 119.070 0.060 0.000 3.629 36 H HA 0.168 4.724 4.556 -0.000 0.000 0.245 36 H C 0.952 176.323 175.328 0.072 0.000 1.599 36 H CA 0.628 56.677 56.048 0.002 0.000 1.557 36 H CB 0.395 30.014 29.762 -0.238 0.000 1.823 36 H HN 0.866 nan 8.280 nan 0.000 0.614 37 G N 1.841 110.802 108.800 0.269 0.000 4.110 37 G HA2 0.157 4.117 3.960 -0.000 0.000 0.292 37 G HA3 0.157 4.117 3.960 -0.000 0.000 0.292 37 G C 0.879 176.054 174.900 0.460 0.000 1.020 37 G CA -0.089 45.212 45.100 0.335 0.000 0.808 37 G HN 0.552 nan 8.290 nan 0.000 0.474 38 G N 0.499 109.484 108.800 0.308 0.000 2.683 38 G HA2 0.329 4.289 3.960 -0.000 0.000 0.260 38 G HA3 0.329 4.289 3.960 -0.000 0.000 0.260 38 G C 1.455 176.390 174.900 0.059 0.000 1.238 38 G CA 0.612 45.793 45.100 0.134 0.000 0.934 38 G HN 0.628 nan 8.290 nan 0.000 0.534 39 S N -0.851 114.843 115.700 -0.009 0.000 2.462 39 S HA -0.198 4.272 4.470 -0.000 0.000 0.243 39 S C 2.037 176.578 174.600 -0.099 0.000 1.003 39 S CA 1.337 59.508 58.200 -0.049 0.000 0.970 39 S CB -0.253 62.914 63.200 -0.056 0.000 0.762 39 S HN 0.621 nan 8.310 nan 0.000 0.510 40 R N 0.652 121.008 120.500 -0.240 0.000 2.057 40 R HA -0.035 4.305 4.340 -0.000 0.000 0.229 40 R C 1.592 177.751 176.300 -0.235 0.000 1.136 40 R CA 1.625 57.508 56.100 -0.362 0.000 0.952 40 R CB -0.474 29.389 30.300 -0.730 0.000 0.848 40 R HN 0.657 nan 8.270 nan 0.000 0.430 41 Y N 0.606 120.960 120.300 0.091 0.000 2.578 41 Y HA 0.179 4.729 4.550 -0.000 0.000 0.297 41 Y C 0.973 177.061 175.900 0.314 0.000 1.176 41 Y CA -0.358 57.836 58.100 0.158 0.000 1.315 41 Y CB -0.077 38.465 38.460 0.137 0.000 1.031 41 Y HN 0.092 nan 8.280 nan 0.000 0.524 42 A N 0.773 123.749 122.820 0.260 0.000 2.561 42 A HA -0.047 4.273 4.320 -0.000 0.000 0.251 42 A C 1.613 179.236 177.584 0.066 0.000 1.062 42 A CA 0.925 52.964 52.037 0.003 0.000 0.761 42 A CB 0.054 18.967 19.000 -0.145 0.000 0.986 42 A HN 0.404 nan 8.150 nan 0.000 0.510 43 T N 2.035 116.640 114.554 0.085 0.000 2.857 43 T HA 0.018 4.368 4.350 -0.000 0.000 0.266 43 T C 0.833 175.549 174.700 0.027 0.000 1.048 43 T CA 1.573 63.744 62.100 0.117 0.000 1.139 43 T CB -0.287 68.710 68.868 0.215 0.000 0.874 43 T HN 0.676 nan 8.240 nan 0.000 0.455 44 K N 1.187 121.563 120.400 -0.040 0.000 2.426 44 K HA 0.285 4.604 4.320 -0.000 0.000 0.251 44 K C -1.482 175.101 176.600 -0.029 0.000 0.941 44 K CA -0.875 55.401 56.287 -0.018 0.000 0.808 44 K CB 1.568 34.069 32.500 0.000 0.000 1.265 44 K HN -0.069 nan 8.250 nan 0.000 0.432 45 D N 1.616 122.014 120.400 -0.002 0.000 2.497 45 D HA 0.004 4.644 4.640 -0.000 0.000 0.285 45 D C 1.042 177.376 176.300 0.056 0.000 1.452 45 D CA 1.614 55.613 54.000 -0.002 0.000 1.132 45 D CB -0.131 40.651 40.800 -0.030 0.000 1.132 45 D HN 0.875 nan 8.370 nan 0.000 0.555 46 G N 0.745 109.573 108.800 0.047 0.000 2.184 46 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.206 46 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.206 46 G C 1.312 176.263 174.900 0.084 0.000 0.995 46 G CA 0.053 45.250 45.100 0.161 0.000 0.651 46 G HN 0.424 nan 8.290 nan 0.000 0.511 47 V N 0.979 120.831 119.914 -0.103 0.000 2.380 47 V HA -0.068 4.052 4.120 -0.000 0.000 0.251 47 V C 3.240 179.156 176.094 -0.298 0.000 1.063 47 V CA 3.067 65.216 62.300 -0.252 0.000 1.055 47 V CB -1.197 30.350 31.823 -0.460 0.000 0.657 47 V HN 1.003 nan 8.190 nan 0.000 0.455 48 A N -0.248 122.349 122.820 -0.371 0.000 1.877 48 A HA -0.301 4.019 4.320 -0.000 0.000 0.216 48 A C 2.211 179.864 177.584 0.116 0.000 1.186 48 A CA 2.233 54.186 52.037 -0.140 0.000 0.620 48 A CB -0.868 18.096 19.000 -0.060 0.000 0.822 48 A HN 0.672 nan 8.150 nan 0.000 0.443 49 H N 0.442 119.520 119.070 0.013 0.000 2.265 49 H HA -0.124 4.432 4.556 0.000 0.000 0.295 49 H C 1.822 177.205 175.328 0.092 0.000 1.084 49 H CA 2.216 58.310 56.048 0.076 0.000 1.261 49 H CB -0.733 29.091 29.762 0.103 0.000 1.360 49 H HN 0.354 nan 8.280 nan 0.000 0.487 50 L N -0.442 120.778 121.223 -0.005 0.000 2.043 50 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 50 L C 2.737 179.725 176.870 0.198 0.000 1.075 50 L CA 1.294 56.099 54.840 -0.057 0.000 0.752 50 L CB -0.512 41.467 42.059 -0.134 0.000 0.891 50 L HN 0.275 nan 8.230 nan 0.000 0.432 51 L N -0.107 121.263 121.223 0.246 0.000 2.156 51 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 51 L C 2.194 179.292 176.870 0.381 0.000 1.095 51 L CA 1.641 56.715 54.840 0.389 0.000 0.770 51 L CB -0.850 41.452 42.059 0.404 0.000 0.914 51 L HN 0.290 nan 8.230 nan 0.000 0.439 52 N N -0.261 118.627 118.700 0.313 0.000 2.142 52 N HA -0.259 4.481 4.740 -0.000 0.000 0.186 52 N C 1.974 177.649 175.510 0.274 0.000 1.023 52 N CA 1.065 54.297 53.050 0.304 0.000 0.852 52 N CB 0.010 38.674 38.487 0.295 0.000 0.998 52 N HN 0.224 nan 8.380 nan 0.000 0.424 53 R N -0.378 120.256 120.500 0.223 0.000 2.280 53 R HA 0.084 4.424 4.340 -0.000 0.000 0.207 53 R C 1.644 177.992 176.300 0.081 0.000 1.043 53 R CA 0.599 56.779 56.100 0.133 0.000 1.006 53 R CB -0.412 29.896 30.300 0.013 0.000 0.885 53 R HN 0.289 nan 8.270 nan 0.000 0.467 54 F N -0.167 119.816 119.950 0.054 0.000 2.473 54 F HA 0.152 4.679 4.527 -0.000 0.000 0.294 54 F C 0.237 175.976 175.800 -0.102 0.000 1.103 54 F CA -0.179 57.806 58.000 -0.026 0.000 1.442 54 F CB 0.182 39.204 39.000 0.038 0.000 1.097 54 F HN -0.019 nan 8.300 nan 0.000 0.547 55 N N 0.296 119.110 118.700 0.191 0.000 2.407 55 N HA 0.019 4.759 4.740 -0.000 0.000 0.250 55 N C -0.449 175.052 175.510 -0.015 0.000 1.236 55 N CA 0.748 53.767 53.050 -0.051 0.000 0.879 55 N CB -0.033 38.422 38.487 -0.054 0.000 1.088 55 N HN 0.161 nan 8.380 nan 0.000 0.450 56 F N -2.091 117.811 119.950 -0.080 0.000 2.884 56 F HA -0.290 4.237 4.527 -0.000 0.000 0.294 56 F C 1.118 176.843 175.800 -0.125 0.000 0.723 56 F CA 0.217 58.132 58.000 -0.142 0.000 1.294 56 F CB -1.113 37.823 39.000 -0.106 0.000 1.551 56 F HN 0.539 nan 8.300 nan 0.000 0.363 57 Q N 0.123 119.907 119.800 -0.026 0.000 2.997 57 Q HA 0.299 4.639 4.340 -0.000 0.000 0.214 57 Q C 0.503 176.456 176.000 -0.079 0.000 1.153 57 Q CA -0.033 55.746 55.803 -0.041 0.000 0.478 57 Q CB -0.006 28.706 28.738 -0.042 0.000 5.352 57 Q HN 0.146 nan 8.270 nan 0.000 0.337 58 N N 0.970 119.617 118.700 -0.088 0.000 2.518 58 N HA 0.198 4.937 4.740 -0.000 0.000 0.283 58 N C -0.607 174.816 175.510 -0.145 0.000 1.119 58 N CA 0.065 53.060 53.050 -0.090 0.000 0.983 58 N CB 1.023 39.478 38.487 -0.054 0.000 1.139 58 N HN 0.441 nan 8.380 nan 0.000 0.465 59 T N -1.305 113.173 114.554 -0.127 0.000 2.950 59 T HA 0.364 4.714 4.350 -0.000 0.000 0.288 59 T C 0.873 175.513 174.700 -0.101 0.000 1.035 59 T CA -0.804 61.211 62.100 -0.142 0.000 1.028 59 T CB 0.927 69.705 68.868 -0.150 0.000 1.109 59 T HN 0.202 nan 8.240 nan 0.000 0.514 60 N N 0.760 119.399 118.700 -0.102 0.000 2.519 60 N HA -0.039 4.701 4.740 -0.000 0.000 0.186 60 N C 1.521 176.993 175.510 -0.063 0.000 1.062 60 N CA 1.593 54.595 53.050 -0.079 0.000 0.910 60 N CB -0.288 38.142 38.487 -0.095 0.000 0.958 60 N HN 0.927 nan 8.380 nan 0.000 0.445 61 T N -4.172 110.341 114.554 -0.067 0.000 3.058 61 T HA 0.355 4.705 4.350 -0.000 0.000 0.278 61 T C 0.342 175.015 174.700 -0.045 0.000 0.974 61 T CA -0.510 61.560 62.100 -0.050 0.000 0.893 61 T CB 0.591 69.430 68.868 -0.048 0.000 1.138 61 T HN -0.055 nan 8.240 nan 0.000 0.529 62 R N 2.072 122.539 120.500 -0.054 0.000 2.659 62 R HA 0.442 4.782 4.340 -0.000 0.000 0.290 62 R C -0.484 175.789 176.300 -0.045 0.000 1.253 62 R CA -0.011 56.062 56.100 -0.045 0.000 1.010 62 R CB 1.226 31.489 30.300 -0.062 0.000 1.236 62 R HN 0.332 nan 8.270 nan 0.000 0.413 63 S N 2.280 117.966 115.700 -0.023 0.000 2.572 63 S HA 0.176 4.646 4.470 -0.000 0.000 0.267 63 S C 1.482 176.072 174.600 -0.015 0.000 1.361 63 S CA -0.073 58.118 58.200 -0.015 0.000 1.009 63 S CB 1.414 64.615 63.200 0.001 0.000 0.888 63 S HN 0.726 nan 8.310 nan 0.000 0.553 64 A N 1.141 123.954 122.820 -0.011 0.000 1.902 64 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 64 A C 2.019 179.612 177.584 0.015 0.000 1.181 64 A CA 1.571 53.607 52.037 -0.002 0.000 0.623 64 A CB -0.965 18.037 19.000 0.003 0.000 0.818 64 A HN 0.938 nan 8.150 nan 0.000 0.443 65 L N -0.110 121.123 121.223 0.016 0.000 1.994 65 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 65 L C 2.292 179.181 176.870 0.031 0.000 1.071 65 L CA 2.726 57.579 54.840 0.023 0.000 0.745 65 L CB -0.537 41.532 42.059 0.016 0.000 0.892 65 L HN 0.421 nan 8.230 nan 0.000 0.431 66 K N -1.069 119.347 120.400 0.026 0.000 2.097 66 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 66 K C 2.112 178.751 176.600 0.065 0.000 1.049 66 K CA 1.493 57.802 56.287 0.036 0.000 0.933 66 K CB -0.264 32.251 32.500 0.025 0.000 0.717 66 K HN 0.314 nan 8.250 nan 0.000 0.442 67 L N 0.627 121.884 121.223 0.056 0.000 2.046 67 L HA -0.149 4.190 4.340 -0.000 0.000 0.208 67 L C 1.847 178.825 176.870 0.181 0.000 1.077 67 L CA 1.497 56.391 54.840 0.090 0.000 0.747 67 L CB -0.362 41.679 42.059 -0.031 0.000 0.896 67 L HN -0.018 nan 8.230 nan 0.000 0.432 68 V N -0.274 119.718 119.914 0.130 0.000 2.229 68 V HA -0.204 3.916 4.120 -0.000 0.000 0.243 68 V C 2.759 178.924 176.094 0.118 0.000 1.042 68 V CA 1.615 64.006 62.300 0.151 0.000 1.000 68 V CB -0.776 31.104 31.823 0.094 0.000 0.637 68 V HN 0.381 nan 8.190 nan 0.000 0.446 69 R N 0.044 120.588 120.500 0.074 0.000 2.133 69 R HA -0.264 4.076 4.340 -0.000 0.000 0.245 69 R C 2.280 178.603 176.300 0.038 0.000 1.137 69 R CA 2.283 58.411 56.100 0.046 0.000 0.947 69 R CB -0.732 29.586 30.300 0.030 0.000 0.865 69 R HN 0.697 nan 8.270 nan 0.000 0.437 70 E N 0.392 120.622 120.200 0.049 0.000 2.031 70 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 70 E C 1.955 178.528 176.600 -0.045 0.000 0.994 70 E CA 1.923 58.322 56.400 -0.001 0.000 0.800 70 E CB -0.014 29.717 29.700 0.051 0.000 0.752 70 E HN 0.388 nan 8.360 nan 0.000 0.447 71 S N 0.323 116.081 115.700 0.096 0.000 2.400 71 S HA -0.237 4.233 4.470 -0.000 0.000 0.232 71 S C 1.763 176.402 174.600 0.065 0.000 1.025 71 S CA 1.481 59.756 58.200 0.125 0.000 0.993 71 S CB -0.409 63.043 63.200 0.420 0.000 0.808 71 S HN 0.314 nan 8.310 nan 0.000 0.478 72 E N 0.755 120.991 120.200 0.060 0.000 2.072 72 E HA -0.025 4.325 4.350 -0.000 0.000 0.191 72 E C 1.913 178.516 176.600 0.005 0.000 0.985 72 E CA 0.965 57.386 56.400 0.034 0.000 0.801 72 E CB -0.214 29.506 29.700 0.032 0.000 0.750 72 E HN 0.354 nan 8.360 nan 0.000 0.452 73 L N 0.673 121.885 121.223 -0.018 0.000 2.275 73 L HA -0.120 4.220 4.340 -0.000 0.000 0.215 73 L C 2.123 178.964 176.870 -0.048 0.000 1.119 73 L CA 1.312 56.131 54.840 -0.035 0.000 0.790 73 L CB -0.710 41.320 42.059 -0.048 0.000 0.919 73 L HN 0.236 nan 8.230 nan 0.000 0.443 74 L N -0.854 120.329 121.223 -0.066 0.000 2.202 74 L HA 0.139 4.479 4.340 -0.000 0.000 0.205 74 L C 1.001 177.888 176.870 0.028 0.000 1.083 74 L CA 0.806 55.614 54.840 -0.055 0.000 0.790 74 L CB -0.299 41.678 42.059 -0.138 0.000 0.942 74 L HN 0.442 nan 8.230 nan 0.000 0.452 75 G N 0.226 109.055 108.800 0.048 0.000 3.035 75 G HA2 0.136 4.095 3.960 -0.000 0.000 0.214 75 G HA3 0.136 4.095 3.960 -0.000 0.000 0.214 75 G C -0.153 174.793 174.900 0.076 0.000 1.063 75 G CA -0.393 44.735 45.100 0.047 0.000 1.109 75 G HN 0.581 nan 8.290 nan 0.000 0.563 76 G N -0.836 108.015 108.800 0.085 0.000 2.632 76 G HA2 1.074 5.034 3.960 -0.000 0.000 0.292 76 G HA3 1.074 5.034 3.960 -0.000 0.000 0.292 76 G C -0.438 174.434 174.900 -0.047 0.000 1.465 76 G CA 0.717 45.842 45.100 0.042 0.000 0.824 76 G HN 1.882 nan 8.290 nan 0.000 0.509 77 T N -1.907 112.526 114.554 -0.202 0.000 2.887 77 T HA 0.855 5.205 4.350 -0.000 0.000 0.292 77 T C -1.043 173.346 174.700 -0.518 0.000 1.087 77 T CA -0.816 61.137 62.100 -0.245 0.000 1.009 77 T CB 1.912 70.720 68.868 -0.099 0.000 1.203 77 T HN 0.405 nan 8.240 nan 0.000 0.518 78 F N -0.018 119.842 119.950 -0.151 0.000 2.631 78 F HA 0.899 5.426 4.527 0.000 0.000 0.328 78 F C -0.032 175.530 175.800 -0.395 0.000 1.067 78 F CA -0.966 56.790 58.000 -0.406 0.000 0.969 78 F CB 2.314 40.670 39.000 -1.073 0.000 1.332 78 F HN 0.785 nan 8.300 nan 0.000 0.490 79 K N 0.274 120.575 120.400 -0.165 0.000 2.600 79 K HA 0.459 4.779 4.320 -0.000 0.000 0.262 79 K C -1.818 174.940 176.600 0.263 0.000 0.935 79 K CA -0.333 55.967 56.287 0.021 0.000 0.866 79 K CB 1.936 34.468 32.500 0.053 0.000 1.354 79 K HN 0.484 nan 8.250 nan 0.000 0.419 80 S N 2.380 118.280 115.700 0.333 0.000 2.640 80 S HA 0.628 5.098 4.470 -0.000 0.000 0.320 80 S C -1.276 173.482 174.600 0.264 0.000 1.097 80 S CA -0.390 58.050 58.200 0.400 0.000 1.092 80 S CB 0.494 63.982 63.200 0.480 0.000 0.988 80 S HN 0.539 nan 8.310 nan 0.000 0.470 81 T N 3.934 118.621 114.554 0.221 0.000 2.823 81 T HA 0.550 4.900 4.350 -0.000 0.000 0.279 81 T C -0.597 174.204 174.700 0.169 0.000 0.998 81 T CA -0.690 61.510 62.100 0.166 0.000 0.994 81 T CB 1.376 70.316 68.868 0.119 0.000 0.960 81 T HN 0.463 nan 8.240 nan 0.000 0.448 82 L N 2.731 124.041 121.223 0.145 0.000 2.275 82 L HA 0.541 4.880 4.340 -0.000 0.000 0.288 82 L C -0.561 176.370 176.870 0.103 0.000 1.046 82 L CA 0.043 54.966 54.840 0.138 0.000 0.805 82 L CB 0.592 42.723 42.059 0.120 0.000 1.193 82 L HN 0.649 nan 8.230 nan 0.000 0.426 83 D N 1.556 122.040 120.400 0.139 0.000 2.567 83 D HA 0.353 4.993 4.640 -0.000 0.000 0.275 83 D C 0.434 176.791 176.300 0.095 0.000 1.195 83 D CA -0.405 53.679 54.000 0.140 0.000 1.087 83 D CB 0.665 41.622 40.800 0.262 0.000 1.165 83 D HN 0.412 nan 8.370 nan 0.000 0.609 84 R N -0.056 120.513 120.500 0.114 0.000 2.280 84 R HA 0.160 4.500 4.340 -0.000 0.000 0.195 84 R C 0.854 177.152 176.300 -0.003 0.000 0.935 84 R CA 1.026 57.151 56.100 0.041 0.000 1.033 84 R CB 0.309 30.660 30.300 0.085 0.000 0.964 84 R HN 0.394 nan 8.270 nan 0.000 0.489 85 E N -1.831 118.406 120.200 0.062 0.000 2.576 85 E HA 0.100 4.450 4.350 -0.000 0.000 0.214 85 E C -0.730 175.766 176.600 -0.173 0.000 0.859 85 E CA 0.067 56.382 56.400 -0.142 0.000 1.399 85 E CB 0.467 30.103 29.700 -0.108 0.000 1.374 85 E HN 0.118 nan 8.360 nan 0.000 0.718 86 Y N -0.355 119.983 120.300 0.062 0.000 2.675 86 Y HA 0.541 5.091 4.550 -0.000 0.000 0.328 86 Y C 0.270 176.234 175.900 0.106 0.000 1.092 86 Y CA -0.812 57.316 58.100 0.047 0.000 1.190 86 Y CB 1.536 39.990 38.460 -0.010 0.000 1.350 86 Y HN -0.187 nan 8.280 nan 0.000 0.525 87 I N 1.452 122.217 120.570 0.325 0.000 2.649 87 I HA 0.136 4.306 4.170 -0.000 0.000 0.275 87 I C -1.264 175.018 176.117 0.275 0.000 1.180 87 I CA -0.276 61.190 61.300 0.277 0.000 1.049 87 I CB 1.056 39.222 38.000 0.275 0.000 1.234 87 I HN 0.586 nan 8.210 nan 0.000 0.506 88 T N 5.628 120.321 114.554 0.231 0.000 2.794 88 T HA 0.384 4.734 4.350 -0.000 0.000 0.296 88 T C 0.042 174.884 174.700 0.236 0.000 0.949 88 T CA -0.305 61.907 62.100 0.187 0.000 1.101 88 T CB 1.268 70.193 68.868 0.095 0.000 0.905 88 T HN 0.141 nan 8.240 nan 0.000 0.516 89 L N 3.737 125.114 121.223 0.258 0.000 2.494 89 L HA 0.364 4.704 4.340 -0.000 0.000 0.251 89 L C 0.602 177.684 176.870 0.353 0.000 1.119 89 L CA -0.098 54.956 54.840 0.357 0.000 1.026 89 L CB 0.059 42.300 42.059 0.303 0.000 1.370 89 L HN 0.511 nan 8.230 nan 0.000 0.426 90 K N 1.580 122.148 120.400 0.280 0.000 2.258 90 K HA 0.675 4.995 4.320 -0.000 0.000 0.264 90 K C -0.121 176.614 176.600 0.225 0.000 1.007 90 K CA -0.112 56.295 56.287 0.200 0.000 0.941 90 K CB 0.780 33.344 32.500 0.107 0.000 0.966 90 K HN 0.472 nan 8.250 nan 0.000 0.480 91 A N 2.921 125.841 122.820 0.168 0.000 2.872 91 A HA 0.219 4.539 4.320 -0.000 0.000 0.305 91 A C -0.881 176.715 177.584 0.019 0.000 1.171 91 A CA -0.729 51.367 52.037 0.097 0.000 0.782 91 A CB 0.711 19.893 19.000 0.304 0.000 1.329 91 A HN 0.651 nan 8.150 nan 0.000 0.432 92 T N 2.779 117.256 114.554 -0.128 0.000 2.870 92 T HA 0.541 4.891 4.350 -0.000 0.000 0.300 92 T C -0.086 174.447 174.700 -0.278 0.000 0.989 92 T CA 0.837 62.787 62.100 -0.251 0.000 1.139 92 T CB -0.398 68.352 68.868 -0.197 0.000 0.920 92 T HN 0.795 nan 8.240 nan 0.000 0.537 93 F N 0.072 119.751 119.950 -0.452 0.000 3.049 93 F HA 0.617 5.144 4.527 -0.000 0.000 0.329 93 F C -1.029 174.604 175.800 -0.278 0.000 1.208 93 F CA -1.604 56.085 58.000 -0.518 0.000 0.956 93 F CB 0.969 39.248 39.000 -1.203 0.000 1.469 93 F HN 0.166 nan 8.300 nan 0.000 0.516 94 L N 1.914 123.213 121.223 0.126 0.000 2.719 94 L HA 0.290 4.630 4.340 -0.000 0.000 0.236 94 L C 1.184 178.155 176.870 0.169 0.000 1.285 94 L CA -0.163 54.723 54.840 0.076 0.000 1.222 94 L CB -0.040 42.062 42.059 0.071 0.000 1.493 94 L HN 0.885 nan 8.230 nan 0.000 0.415 95 K N 0.394 120.860 120.400 0.110 0.000 5.141 95 K HA -0.372 3.948 4.320 -0.000 0.000 0.348 95 K C 1.133 177.906 176.600 0.288 0.000 0.723 95 K CA 2.652 59.045 56.287 0.176 0.000 1.215 95 K CB -0.310 32.216 32.500 0.043 0.000 1.286 95 K HN 0.497 nan 8.250 nan 0.000 0.748 96 D N 0.472 120.984 120.400 0.187 0.000 2.309 96 D HA -0.086 4.553 4.640 -0.000 0.000 0.212 96 D C 0.676 177.070 176.300 0.157 0.000 0.968 96 D CA 1.079 55.172 54.000 0.156 0.000 0.882 96 D CB -0.189 40.673 40.800 0.102 0.000 0.918 96 D HN 0.357 nan 8.370 nan 0.000 0.503 97 D N 0.179 120.697 120.400 0.196 0.000 2.370 97 D HA 0.045 4.685 4.640 -0.000 0.000 0.230 97 D C 2.078 178.412 176.300 0.057 0.000 1.143 97 D CA -0.195 53.893 54.000 0.147 0.000 0.834 97 D CB 0.164 41.113 40.800 0.248 0.000 0.944 97 D HN 0.221 nan 8.370 nan 0.000 0.504 98 L N 1.692 122.936 121.223 0.036 0.000 2.010 98 L HA -0.200 4.140 4.340 -0.000 0.000 0.219 98 L C -0.430 176.332 176.870 -0.180 0.000 1.077 98 L CA 2.008 56.810 54.840 -0.064 0.000 0.773 98 L CB -1.073 41.116 42.059 0.216 0.000 0.892 98 L HN 0.126 nan 8.230 nan 0.000 0.436 99 P HA -0.288 nan 4.420 nan 0.000 0.215 99 P C 1.355 178.463 177.300 -0.321 0.000 1.157 99 P CA 1.841 64.545 63.100 -0.659 0.000 0.874 99 P CB -0.363 30.794 31.700 -0.904 0.000 0.790 100 Y N 0.623 120.716 120.300 -0.345 0.000 2.069 100 Y HA -0.285 4.265 4.550 -0.000 0.000 0.278 100 Y C 2.547 178.210 175.900 -0.396 0.000 1.175 100 Y CA 1.890 59.759 58.100 -0.386 0.000 1.134 100 Y CB -1.478 36.667 38.460 -0.525 0.000 0.965 100 Y HN -0.149 nan 8.280 nan 0.000 0.498 101 Y N -1.384 118.780 120.300 -0.227 0.000 2.352 101 Y HA -0.176 4.374 4.550 -0.000 0.000 0.292 101 Y C 2.470 178.306 175.900 -0.106 0.000 1.136 101 Y CA 1.228 59.215 58.100 -0.188 0.000 1.227 101 Y CB -0.846 37.358 38.460 -0.427 0.000 0.991 101 Y HN -0.000 nan 8.280 nan 0.000 0.545 102 V N 0.386 120.280 119.914 -0.034 0.000 2.255 102 V HA -0.290 3.830 4.120 -0.000 0.000 0.243 102 V C 1.630 177.694 176.094 -0.051 0.000 1.038 102 V CA 2.296 64.599 62.300 0.005 0.000 1.008 102 V CB -0.722 31.107 31.823 0.009 0.000 0.645 102 V HN 0.422 nan 8.190 nan 0.000 0.449 103 N N 0.404 119.020 118.700 -0.140 0.000 2.223 103 N HA -0.118 4.622 4.740 -0.000 0.000 0.185 103 N C 1.827 177.221 175.510 -0.193 0.000 1.016 103 N CA 1.258 54.218 53.050 -0.150 0.000 0.863 103 N CB -0.330 38.050 38.487 -0.177 0.000 0.983 103 N HN 0.494 nan 8.380 nan 0.000 0.429 104 A N 1.134 123.777 122.820 -0.296 0.000 1.845 104 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 104 A C 2.141 179.639 177.584 -0.143 0.000 1.195 104 A CA 1.026 52.874 52.037 -0.315 0.000 0.616 104 A CB -0.870 17.876 19.000 -0.423 0.000 0.832 104 A HN 0.171 nan 8.150 nan 0.000 0.443 105 L N -0.686 120.545 121.223 0.013 0.000 2.012 105 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 105 L C 3.146 179.975 176.870 -0.068 0.000 1.073 105 L CA 1.147 56.014 54.840 0.044 0.000 0.748 105 L CB -0.625 41.541 42.059 0.178 0.000 0.891 105 L HN 0.476 nan 8.230 nan 0.000 0.431 106 A N 0.096 122.888 122.820 -0.046 0.000 1.859 106 A HA -0.350 3.970 4.320 -0.000 0.000 0.217 106 A C 1.948 179.496 177.584 -0.061 0.000 1.198 106 A CA 2.374 54.383 52.037 -0.048 0.000 0.629 106 A CB -1.008 17.972 19.000 -0.033 0.000 0.830 106 A HN 0.446 nan 8.150 nan 0.000 0.446 107 D N -0.968 119.386 120.400 -0.076 0.000 2.191 107 D HA -0.160 4.480 4.640 -0.000 0.000 0.195 107 D C 1.776 177.993 176.300 -0.139 0.000 1.003 107 D CA 1.667 55.619 54.000 -0.079 0.000 0.867 107 D CB -0.057 40.664 40.800 -0.131 0.000 0.926 107 D HN 0.186 nan 8.370 nan 0.000 0.450 108 V N -0.213 119.564 119.914 -0.230 0.000 2.270 108 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 108 V C 2.405 178.282 176.094 -0.361 0.000 1.043 108 V CA 1.338 63.426 62.300 -0.354 0.000 1.014 108 V CB -0.502 30.983 31.823 -0.563 0.000 0.645 108 V HN 0.225 nan 8.190 nan 0.000 0.447 109 L N -1.322 119.678 121.223 -0.371 0.000 2.042 109 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 109 L C 2.389 179.149 176.870 -0.183 0.000 1.076 109 L CA 2.019 56.555 54.840 -0.506 0.000 0.749 109 L CB -0.881 40.973 42.059 -0.342 0.000 0.893 109 L HN 0.360 nan 8.230 nan 0.000 0.432 110 Y N 1.308 121.491 120.300 -0.196 0.000 2.153 110 Y HA -0.119 4.431 4.550 0.000 0.000 0.289 110 Y C 1.864 177.719 175.900 -0.075 0.000 1.119 110 Y CA 1.241 59.278 58.100 -0.105 0.000 1.116 110 Y CB -0.025 38.386 38.460 -0.082 0.000 1.004 110 Y HN 0.192 nan 8.280 nan 0.000 0.501 111 K N 0.704 121.008 120.400 -0.160 0.000 2.896 111 K HA 0.228 4.548 4.320 -0.000 0.000 0.210 111 K C -0.474 176.036 176.600 -0.150 0.000 1.116 111 K CA -0.119 56.028 56.287 -0.232 0.000 1.050 111 K CB -0.522 31.793 32.500 -0.309 0.000 0.812 111 K HN 0.137 nan 8.250 nan 0.000 0.462 112 T N -0.826 113.646 114.554 -0.137 0.000 2.888 112 T HA 0.227 4.577 4.350 -0.000 0.000 0.301 112 T C 1.402 175.994 174.700 -0.180 0.000 1.001 112 T CA -0.083 61.841 62.100 -0.293 0.000 1.147 112 T CB 1.663 70.152 68.868 -0.631 0.000 0.931 112 T HN 0.295 nan 8.240 nan 0.000 0.541 113 A N 2.678 125.381 122.820 -0.195 0.000 2.015 113 A HA 0.210 4.530 4.320 -0.000 0.000 0.219 113 A C 1.018 178.639 177.584 0.061 0.000 1.163 113 A CA 0.054 52.063 52.037 -0.048 0.000 0.646 113 A CB -1.064 17.900 19.000 -0.060 0.000 0.806 113 A HN 0.964 nan 8.150 nan 0.000 0.448 114 F N -0.782 119.102 119.950 -0.110 0.000 2.969 114 F HA -0.190 4.337 4.527 -0.000 0.000 0.273 114 F C 0.372 176.156 175.800 -0.027 0.000 0.986 114 F CA 0.458 58.356 58.000 -0.171 0.000 0.926 114 F CB -1.657 37.085 39.000 -0.429 0.000 0.887 114 F HN 0.075 nan 8.300 nan 0.000 0.816 115 K N 0.672 121.104 120.400 0.053 0.000 2.401 115 K HA 0.087 4.407 4.320 -0.000 0.000 0.278 115 K C -1.274 175.273 176.600 -0.090 0.000 1.018 115 K CA -1.352 54.860 56.287 -0.124 0.000 0.981 115 K CB 0.473 32.685 32.500 -0.480 0.000 0.933 115 K HN -0.032 nan 8.250 nan 0.000 0.477 116 P HA -0.195 nan 4.420 nan 0.000 0.216 116 P C 1.100 178.417 177.300 0.028 0.000 1.150 116 P CA 1.453 64.577 63.100 0.039 0.000 0.843 116 P CB -0.030 31.706 31.700 0.060 0.000 0.787 117 H N -0.587 118.515 119.070 0.054 0.000 2.428 117 H HA 0.081 4.637 4.556 -0.000 0.000 0.296 117 H C 1.379 176.700 175.328 -0.011 0.000 1.062 117 H CA 0.854 56.913 56.048 0.018 0.000 1.350 117 H CB -0.728 29.040 29.762 0.010 0.000 1.403 117 H HN 0.193 nan 8.280 nan 0.000 0.533 118 E N 0.856 120.918 120.200 -0.230 0.000 2.204 118 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 118 E C 2.309 178.757 176.600 -0.254 0.000 0.990 118 E CA 0.916 57.221 56.400 -0.158 0.000 0.821 118 E CB 0.023 29.603 29.700 -0.200 0.000 0.750 118 E HN 0.317 nan 8.360 nan 0.000 0.477 119 L N 1.126 122.235 121.223 -0.189 0.000 2.044 119 L HA -0.142 4.198 4.340 -0.000 0.000 0.205 119 L C 2.555 179.346 176.870 -0.132 0.000 1.075 119 L CA 2.265 56.972 54.840 -0.222 0.000 0.747 119 L CB -0.687 41.388 42.059 0.027 0.000 0.903 119 L HN 0.141 nan 8.230 nan 0.000 0.435 120 T N -3.755 110.775 114.554 -0.040 0.000 2.857 120 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 120 T C 1.632 176.323 174.700 -0.014 0.000 1.048 120 T CA 1.317 63.410 62.100 -0.012 0.000 1.139 120 T CB -0.492 68.392 68.868 0.027 0.000 0.874 120 T HN 0.499 nan 8.240 nan 0.000 0.455 121 E N 0.586 120.785 120.200 -0.001 0.000 2.318 121 E HA 0.129 4.479 4.350 -0.000 0.000 0.193 121 E C 1.884 178.462 176.600 -0.035 0.000 0.998 121 E CA 0.614 57.013 56.400 -0.001 0.000 0.859 121 E CB 0.205 29.928 29.700 0.039 0.000 0.812 121 E HN 0.463 nan 8.360 nan 0.000 0.492 122 S N -0.545 115.103 115.700 -0.086 0.000 3.249 122 S HA 0.027 4.497 4.470 -0.000 0.000 0.237 122 S C 1.980 176.484 174.600 -0.160 0.000 1.007 122 S CA -0.101 58.029 58.200 -0.117 0.000 0.811 122 S CB 0.105 63.221 63.200 -0.139 0.000 0.832 122 S HN -0.045 nan 8.310 nan 0.000 0.573 123 V N 3.393 123.131 119.914 -0.292 0.000 2.220 123 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 123 V C 2.270 178.239 176.094 -0.207 0.000 1.049 123 V CA 1.859 63.956 62.300 -0.339 0.000 1.003 123 V CB -0.932 30.490 31.823 -0.669 0.000 0.634 123 V HN 0.367 nan 8.190 nan 0.000 0.444 124 L N -0.337 120.781 121.223 -0.175 0.000 2.042 124 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 124 L C 0.111 176.973 176.870 -0.013 0.000 1.076 124 L CA 1.918 56.700 54.840 -0.097 0.000 0.749 124 L CB -1.847 40.176 42.059 -0.058 0.000 0.893 124 L HN 0.363 nan 8.230 nan 0.000 0.432 125 P HA -0.187 nan 4.420 nan 0.000 0.211 125 P C 1.567 178.917 177.300 0.083 0.000 1.179 125 P CA 1.855 64.975 63.100 0.034 0.000 0.910 125 P CB -0.060 31.640 31.700 -0.001 0.000 0.785 126 A N -0.285 122.565 122.820 0.051 0.000 1.958 126 A HA -0.237 4.083 4.320 -0.000 0.000 0.221 126 A C 2.276 179.986 177.584 0.210 0.000 1.178 126 A CA 2.465 54.581 52.037 0.132 0.000 0.642 126 A CB -1.675 17.364 19.000 0.066 0.000 0.816 126 A HN 0.224 nan 8.150 nan 0.000 0.453 127 A N -0.829 122.037 122.820 0.077 0.000 1.872 127 A HA -0.042 4.278 4.320 -0.000 0.000 0.214 127 A C 2.120 179.871 177.584 0.279 0.000 1.187 127 A CA 1.653 53.717 52.037 0.045 0.000 0.614 127 A CB -0.388 18.448 19.000 -0.273 0.000 0.826 127 A HN 0.363 nan 8.150 nan 0.000 0.442 128 R N -1.448 119.195 120.500 0.239 0.000 2.200 128 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 128 R C 1.781 178.263 176.300 0.303 0.000 1.127 128 R CA 1.382 57.652 56.100 0.284 0.000 0.989 128 R CB -0.896 29.530 30.300 0.210 0.000 0.869 128 R HN 0.766 nan 8.270 nan 0.000 0.459 129 Y N 1.161 121.553 120.300 0.153 0.000 2.114 129 Y HA -0.138 4.412 4.550 -0.000 0.000 0.284 129 Y C 1.553 177.533 175.900 0.134 0.000 1.119 129 Y CA 1.610 59.777 58.100 0.112 0.000 1.108 129 Y CB -0.600 37.909 38.460 0.082 0.000 0.995 129 Y HN 0.003 nan 8.280 nan 0.000 0.491 130 D N -0.480 119.895 120.400 -0.042 0.000 2.157 130 D HA -0.287 4.353 4.640 -0.000 0.000 0.191 130 D C 2.016 178.291 176.300 -0.041 0.000 1.004 130 D CA 2.165 56.094 54.000 -0.120 0.000 0.854 130 D CB -0.864 40.067 40.800 0.218 0.000 0.936 130 D HN 0.556 nan 8.370 nan 0.000 0.446 131 Y N 0.994 121.312 120.300 0.030 0.000 2.220 131 Y HA -0.027 4.523 4.550 -0.000 0.000 0.291 131 Y C 2.205 178.088 175.900 -0.029 0.000 1.129 131 Y CA 1.535 59.641 58.100 0.010 0.000 1.161 131 Y CB -0.422 38.089 38.460 0.085 0.000 0.997 131 Y HN -0.051 nan 8.280 nan 0.000 0.522 132 A N -0.644 122.082 122.820 -0.157 0.000 1.969 132 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 132 A C 2.306 179.755 177.584 -0.226 0.000 1.169 132 A CA 1.738 53.639 52.037 -0.226 0.000 0.635 132 A CB -1.217 17.771 19.000 -0.021 0.000 0.810 132 A HN 0.345 nan 8.150 nan 0.000 0.445 133 V N -0.235 119.532 119.914 -0.245 0.000 2.270 133 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 133 V C 3.070 179.038 176.094 -0.209 0.000 1.043 133 V CA 1.951 64.108 62.300 -0.238 0.000 1.014 133 V CB -1.178 30.415 31.823 -0.384 0.000 0.645 133 V HN 0.600 nan 8.190 nan 0.000 0.447 134 A N -0.254 122.424 122.820 -0.238 0.000 1.902 134 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 134 A C 2.273 179.717 177.584 -0.233 0.000 1.181 134 A CA 1.818 53.729 52.037 -0.211 0.000 0.623 134 A CB -0.631 18.264 19.000 -0.176 0.000 0.818 134 A HN 0.635 nan 8.150 nan 0.000 0.443 135 E N -0.410 119.566 120.200 -0.373 0.000 2.393 135 E HA -0.253 4.097 4.350 -0.000 0.000 0.201 135 E C 1.526 178.084 176.600 -0.070 0.000 1.025 135 E CA 1.314 57.506 56.400 -0.347 0.000 0.856 135 E CB -0.108 29.200 29.700 -0.653 0.000 0.771 135 E HN 0.773 nan 8.360 nan 0.000 0.526 136 Q N -0.711 119.060 119.800 -0.048 0.000 2.247 136 Q HA 0.127 4.467 4.340 -0.000 0.000 0.211 136 Q C -0.522 175.537 176.000 0.099 0.000 0.861 136 Q CA -0.253 55.611 55.803 0.102 0.000 0.949 136 Q CB 0.936 29.689 28.738 0.025 0.000 1.115 136 Q HN 0.149 nan 8.270 nan 0.000 0.507 137 C N 2.078 121.339 119.300 -0.064 0.000 2.301 137 C HA 0.397 4.857 4.460 -0.000 0.000 0.313 137 C C -1.341 173.464 174.990 -0.307 0.000 1.121 137 C CA -2.299 56.626 59.018 -0.154 0.000 1.507 137 C CB 0.526 28.175 27.740 -0.152 0.000 1.975 137 C HN 0.331 nan 8.230 nan 0.000 0.425 138 P HA -0.158 nan 4.420 nan 0.000 0.220 138 P C 1.426 178.472 177.300 -0.422 0.000 1.144 138 P CA 1.971 64.666 63.100 -0.675 0.000 0.800 138 P CB -0.156 30.994 31.700 -0.918 0.000 0.772 139 V N -1.776 117.906 119.914 -0.386 0.000 2.515 139 V HA -0.116 4.004 4.120 -0.000 0.000 0.250 139 V C 2.205 177.989 176.094 -0.517 0.000 1.058 139 V CA 1.410 63.401 62.300 -0.514 0.000 1.064 139 V CB -1.477 29.983 31.823 -0.606 0.000 0.675 139 V HN 0.021 nan 8.190 nan 0.000 0.461 140 K N 0.549 120.734 120.400 -0.357 0.000 2.365 140 K HA 0.083 4.403 4.320 -0.000 0.000 0.197 140 K C 2.346 178.843 176.600 -0.172 0.000 1.042 140 K CA 1.070 57.206 56.287 -0.252 0.000 0.987 140 K CB 0.046 32.420 32.500 -0.209 0.000 0.779 140 K HN 0.536 nan 8.250 nan 0.000 0.484 141 S N 0.488 116.071 115.700 -0.196 0.000 2.458 141 S HA 0.058 4.528 4.470 -0.000 0.000 0.223 141 S C 1.934 176.482 174.600 -0.087 0.000 1.019 141 S CA 0.644 58.763 58.200 -0.136 0.000 0.937 141 S CB 0.114 63.201 63.200 -0.189 0.000 0.788 141 S HN 0.319 nan 8.310 nan 0.000 0.511 142 A N 1.152 123.915 122.820 -0.095 0.000 1.929 142 A HA 0.034 4.354 4.320 -0.000 0.000 0.216 142 A C 1.995 179.673 177.584 0.157 0.000 1.176 142 A CA 1.450 53.497 52.037 0.017 0.000 0.628 142 A CB -0.681 18.366 19.000 0.078 0.000 0.816 142 A HN 0.691 nan 8.150 nan 0.000 0.444 143 E N -0.417 119.888 120.200 0.175 0.000 2.152 143 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 143 E C 1.166 177.896 176.600 0.216 0.000 0.983 143 E CA 1.161 57.741 56.400 0.299 0.000 0.818 143 E CB -0.083 29.733 29.700 0.193 0.000 0.758 143 E HN 0.501 nan 8.360 nan 0.000 0.467 144 D N -0.066 120.379 120.400 0.076 0.000 2.183 144 D HA -0.115 4.525 4.640 -0.000 0.000 0.203 144 D C 1.919 178.275 176.300 0.093 0.000 0.969 144 D CA 0.700 54.730 54.000 0.050 0.000 0.842 144 D CB 0.130 40.931 40.800 0.001 0.000 0.957 144 D HN 0.114 nan 8.370 nan 0.000 0.484 145 Q N -0.272 119.570 119.800 0.069 0.000 2.123 145 Q HA -0.056 4.284 4.340 -0.000 0.000 0.199 145 Q C 2.114 178.148 176.000 0.057 0.000 0.966 145 Q CA 0.358 56.186 55.803 0.042 0.000 0.845 145 Q CB -0.275 28.462 28.738 -0.002 0.000 0.907 145 Q HN 0.273 nan 8.270 nan 0.000 0.439 146 L N -0.193 121.087 121.223 0.096 0.000 1.990 146 L HA -0.213 4.127 4.340 -0.000 0.000 0.213 146 L C 2.170 179.045 176.870 0.008 0.000 1.072 146 L CA 1.846 56.714 54.840 0.046 0.000 0.755 146 L CB -1.187 40.920 42.059 0.081 0.000 0.889 146 L HN 0.205 nan 8.230 nan 0.000 0.432 147 Y N -0.863 119.431 120.300 -0.010 0.000 2.224 147 Y HA -0.194 4.356 4.550 -0.000 0.000 0.289 147 Y C 2.424 178.325 175.900 0.002 0.000 1.146 147 Y CA 1.277 59.389 58.100 0.021 0.000 1.182 147 Y CB -0.860 37.695 38.460 0.158 0.000 0.983 147 Y HN 0.220 nan 8.280 nan 0.000 0.524 148 A N 0.395 123.313 122.820 0.164 0.000 1.933 148 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 148 A C 2.159 179.740 177.584 -0.006 0.000 1.175 148 A CA 1.906 53.989 52.037 0.076 0.000 0.628 148 A CB -1.174 17.855 19.000 0.048 0.000 0.814 148 A HN 0.605 nan 8.150 nan 0.000 0.444 149 I N -2.363 118.182 120.570 -0.041 0.000 2.852 149 I HA -0.032 4.138 4.170 -0.000 0.000 0.264 149 I C 2.260 178.308 176.117 -0.115 0.000 1.179 149 I CA 1.554 62.803 61.300 -0.086 0.000 1.480 149 I CB -0.919 37.048 38.000 -0.056 0.000 1.111 149 I HN 0.324 nan 8.210 nan 0.000 0.441 150 T N 0.867 115.305 114.554 -0.193 0.000 2.671 150 T HA 0.017 4.367 4.350 -0.000 0.000 0.250 150 T C 0.692 175.322 174.700 -0.117 0.000 1.068 150 T CA 0.610 62.533 62.100 -0.295 0.000 1.177 150 T CB -1.069 67.332 68.868 -0.778 0.000 0.876 150 T HN 0.252 nan 8.240 nan 0.000 0.405 151 F N 2.718 122.756 119.950 0.148 0.000 2.573 151 F HA 0.600 5.127 4.527 -0.000 0.000 0.349 151 F C 1.571 177.435 175.800 0.106 0.000 1.213 151 F CA -1.736 56.369 58.000 0.175 0.000 1.300 151 F CB -0.602 38.462 39.000 0.107 0.000 1.661 151 F HN 0.110 nan 8.300 nan 0.000 0.616 152 R N 1.488 122.085 120.500 0.161 0.000 2.344 152 R HA -0.314 4.026 4.340 -0.000 0.000 0.216 152 R C 1.431 177.777 176.300 0.077 0.000 1.089 152 R CA 2.693 58.808 56.100 0.026 0.000 0.804 152 R CB -0.264 29.987 30.300 -0.083 0.000 0.929 152 R HN 0.455 nan 8.270 nan 0.000 0.393 153 K N -0.727 119.727 120.400 0.091 0.000 2.358 153 K HA 0.131 4.451 4.320 -0.000 0.000 0.197 153 K C 1.606 178.246 176.600 0.067 0.000 1.025 153 K CA 0.375 56.703 56.287 0.068 0.000 1.104 153 K CB 1.055 33.585 32.500 0.050 0.000 0.855 153 K HN 0.374 nan 8.250 nan 0.000 0.531 154 G N 1.555 110.408 108.800 0.088 0.000 2.658 154 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.217 154 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.217 154 G C 1.012 175.898 174.900 -0.024 0.000 1.319 154 G CA 0.145 45.254 45.100 0.015 0.000 0.885 154 G HN 0.024 nan 8.290 nan 0.000 0.553 155 L N 1.631 122.859 121.223 0.008 0.000 2.592 155 L HA 0.317 4.657 4.340 -0.000 0.000 0.227 155 L C 2.611 179.674 176.870 0.321 0.000 1.127 155 L CA 0.731 55.609 54.840 0.064 0.000 0.884 155 L CB 0.166 42.190 42.059 -0.059 0.000 1.065 155 L HN 0.308 nan 8.230 nan 0.000 0.457 156 G N -0.999 107.981 108.800 0.300 0.000 2.848 156 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.208 156 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.208 156 G C 0.709 175.684 174.900 0.125 0.000 1.152 156 G CA -0.165 45.084 45.100 0.249 0.000 0.789 156 G HN 0.241 nan 8.290 nan 0.000 0.531 157 N N 1.487 120.234 118.700 0.078 0.000 2.492 157 N HA 0.212 4.952 4.740 -0.000 0.000 0.262 157 N C -2.594 172.917 175.510 0.002 0.000 1.202 157 N CA -1.264 51.800 53.050 0.023 0.000 0.926 157 N CB 1.012 39.497 38.487 -0.004 0.000 1.078 157 N HN -0.032 nan 8.380 nan 0.000 0.454 158 P HA -0.019 nan 4.420 nan 0.000 0.263 158 P C 0.881 178.161 177.300 -0.032 0.000 1.195 158 P CA -0.253 62.835 63.100 -0.020 0.000 0.762 158 P CB 0.600 32.283 31.700 -0.030 0.000 0.799 159 L N 5.067 126.259 121.223 -0.053 0.000 2.056 159 L HA 0.012 4.352 4.340 -0.000 0.000 0.207 159 L C 0.475 177.304 176.870 -0.068 0.000 1.078 159 L CA 1.819 56.615 54.840 -0.072 0.000 0.749 159 L CB -0.394 41.598 42.059 -0.111 0.000 0.901 159 L HN 0.248 nan 8.230 nan 0.000 0.433 160 L N -1.990 119.196 121.223 -0.062 0.000 2.334 160 L HA 0.231 4.571 4.340 -0.000 0.000 0.270 160 L C -0.769 176.189 176.870 0.147 0.000 1.018 160 L CA -1.038 53.768 54.840 -0.055 0.000 0.811 160 L CB 1.022 43.010 42.059 -0.118 0.000 1.271 160 L HN -0.091 nan 8.230 nan 0.000 0.443 161 Y N 1.928 122.448 120.300 0.367 0.000 2.402 161 Y HA 0.054 4.604 4.550 -0.000 0.000 0.333 161 Y C 0.367 176.141 175.900 -0.210 0.000 1.076 161 Y CA 0.027 58.170 58.100 0.071 0.000 1.299 161 Y CB 0.607 39.076 38.460 0.016 0.000 1.197 161 Y HN 0.671 nan 8.280 nan 0.000 0.517 162 D N 2.900 122.675 120.400 -1.042 0.000 2.594 162 D HA 0.114 4.753 4.640 -0.000 0.000 0.256 162 D C 1.230 176.990 176.300 -0.900 0.000 1.393 162 D CA 0.316 53.657 54.000 -1.098 0.000 0.797 162 D CB -0.163 39.979 40.800 -1.097 0.000 1.110 162 D HN 0.883 nan 8.370 nan 0.000 0.495 163 G N 1.350 109.308 108.800 -1.404 0.000 2.225 163 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.272 163 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.272 163 G C 1.334 176.040 174.900 -0.322 0.000 0.996 163 G CA 1.458 46.123 45.100 -0.725 0.000 0.710 163 G HN 0.808 nan 8.290 nan 0.000 0.522 164 V N -1.750 117.972 119.914 -0.320 0.000 2.380 164 V HA 0.050 4.170 4.120 -0.000 0.000 0.251 164 V C 0.999 177.035 176.094 -0.096 0.000 1.063 164 V CA 2.394 64.594 62.300 -0.167 0.000 1.055 164 V CB -0.511 31.224 31.823 -0.146 0.000 0.657 164 V HN 1.014 nan 8.190 nan 0.000 0.455 165 E N 1.629 121.779 120.200 -0.083 0.000 2.241 165 E HA 0.447 4.797 4.350 -0.000 0.000 0.263 165 E C -0.223 176.405 176.600 0.047 0.000 0.882 165 E CA -1.074 55.318 56.400 -0.014 0.000 0.769 165 E CB 1.255 30.951 29.700 -0.006 0.000 1.185 165 E HN 0.600 nan 8.360 nan 0.000 0.415 166 R N 1.672 122.209 120.500 0.063 0.000 2.502 166 R HA 0.171 4.511 4.340 -0.000 0.000 0.292 166 R C -0.788 175.579 176.300 0.112 0.000 0.998 166 R CA -0.393 55.775 56.100 0.113 0.000 1.056 166 R CB 0.349 30.692 30.300 0.070 0.000 0.939 166 R HN 0.300 nan 8.270 nan 0.000 0.411 167 V N 4.175 124.176 119.914 0.144 0.000 2.313 167 V HA 0.144 4.264 4.120 -0.000 0.000 0.278 167 V C 0.537 176.629 176.094 -0.002 0.000 1.017 167 V CA -0.625 61.705 62.300 0.051 0.000 0.823 167 V CB 1.044 32.877 31.823 0.017 0.000 1.010 167 V HN 1.015 nan 8.190 nan 0.000 0.443 168 S N 5.483 121.187 115.700 0.007 0.000 2.608 168 S HA 0.286 4.756 4.470 -0.000 0.000 0.261 168 S C 1.194 175.795 174.600 0.002 0.000 1.314 168 S CA -0.508 57.696 58.200 0.006 0.000 0.992 168 S CB 0.881 64.085 63.200 0.007 0.000 0.935 168 S HN 0.576 nan 8.310 nan 0.000 0.564 169 L N 0.302 121.537 121.223 0.020 0.000 2.191 169 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 169 L C 2.463 179.309 176.870 -0.039 0.000 1.103 169 L CA 1.969 56.832 54.840 0.039 0.000 0.769 169 L CB -1.007 41.093 42.059 0.068 0.000 0.908 169 L HN 0.921 nan 8.230 nan 0.000 0.438 170 Q N 0.220 119.993 119.800 -0.044 0.000 2.049 170 Q HA -0.176 4.164 4.340 -0.000 0.000 0.198 170 Q C 1.774 177.724 176.000 -0.084 0.000 0.971 170 Q CA 1.810 57.566 55.803 -0.077 0.000 0.833 170 Q CB -0.111 28.599 28.738 -0.048 0.000 0.896 170 Q HN 0.428 nan 8.270 nan 0.000 0.434 171 D N -0.228 120.146 120.400 -0.043 0.000 2.190 171 D HA -0.171 4.469 4.640 -0.000 0.000 0.200 171 D C 1.816 178.106 176.300 -0.017 0.000 0.992 171 D CA 1.208 55.196 54.000 -0.020 0.000 0.854 171 D CB -0.081 40.715 40.800 -0.007 0.000 0.936 171 D HN 0.379 nan 8.370 nan 0.000 0.462 172 I N 0.771 121.308 120.570 -0.055 0.000 2.202 172 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 172 I C 2.411 178.410 176.117 -0.197 0.000 1.091 172 I CA 0.950 62.218 61.300 -0.053 0.000 1.368 172 I CB -0.130 37.855 38.000 -0.024 0.000 1.058 172 I HN -0.142 nan 8.210 nan 0.000 0.410 173 K N 0.608 120.762 120.400 -0.410 0.000 2.147 173 K HA -0.192 4.128 4.320 -0.000 0.000 0.205 173 K C 1.619 178.042 176.600 -0.294 0.000 1.049 173 K CA 1.579 57.506 56.287 -0.599 0.000 0.936 173 K CB -0.164 32.001 32.500 -0.559 0.000 0.722 173 K HN 0.298 nan 8.250 nan 0.000 0.446 174 D N 0.306 120.618 120.400 -0.146 0.000 2.091 174 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 174 D C 1.545 177.830 176.300 -0.025 0.000 0.980 174 D CA 0.871 54.829 54.000 -0.070 0.000 0.831 174 D CB -0.364 40.422 40.800 -0.023 0.000 0.987 174 D HN 0.084 nan 8.370 nan 0.000 0.460 175 F N 1.365 121.250 119.950 -0.109 0.000 2.269 175 F HA -0.076 4.451 4.527 -0.000 0.000 0.301 175 F C 2.062 177.792 175.800 -0.116 0.000 1.082 175 F CA 1.057 59.005 58.000 -0.086 0.000 1.360 175 F CB 0.039 39.009 39.000 -0.050 0.000 1.041 175 F HN -0.075 nan 8.300 nan 0.000 0.512 176 A N -0.382 122.425 122.820 -0.022 0.000 1.968 176 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 176 A C 1.984 179.538 177.584 -0.050 0.000 1.169 176 A CA 1.776 53.807 52.037 -0.009 0.000 0.638 176 A CB -0.719 18.292 19.000 0.019 0.000 0.812 176 A HN 0.370 nan 8.150 nan 0.000 0.446 177 D N -0.291 120.046 120.400 -0.104 0.000 2.123 177 D HA -0.062 4.578 4.640 -0.000 0.000 0.200 177 D C 1.923 178.140 176.300 -0.138 0.000 0.976 177 D CA 0.984 54.937 54.000 -0.078 0.000 0.831 177 D CB -0.176 40.576 40.800 -0.080 0.000 0.974 177 D HN 0.396 nan 8.370 nan 0.000 0.469 178 K N 0.360 120.623 120.400 -0.228 0.000 2.026 178 K HA -0.080 4.240 4.320 -0.000 0.000 0.208 178 K C 2.078 178.464 176.600 -0.358 0.000 1.048 178 K CA 0.826 56.948 56.287 -0.275 0.000 0.929 178 K CB 0.058 32.364 32.500 -0.324 0.000 0.713 178 K HN 0.029 nan 8.250 nan 0.000 0.439 179 V N -0.158 119.422 119.914 -0.556 0.000 2.535 179 V HA -0.145 3.975 4.120 -0.000 0.000 0.246 179 V C 0.869 176.705 176.094 -0.430 0.000 1.045 179 V CA 0.969 62.906 62.300 -0.605 0.000 1.058 179 V CB -0.369 30.885 31.823 -0.948 0.000 0.689 179 V HN 0.203 nan 8.190 nan 0.000 0.461 180 Y N 2.418 122.648 120.300 -0.117 0.000 2.636 180 Y HA 0.384 4.934 4.550 -0.000 0.000 0.334 180 Y C 0.727 176.603 175.900 -0.040 0.000 1.286 180 Y CA -0.368 57.707 58.100 -0.042 0.000 1.688 180 Y CB -0.201 38.258 38.460 -0.000 0.000 1.662 180 Y HN 0.267 nan 8.280 nan 0.000 0.465 181 T N -3.150 111.440 114.554 0.060 0.000 2.903 181 T HA 0.315 4.665 4.350 -0.000 0.000 0.299 181 T C 0.710 175.417 174.700 0.012 0.000 1.093 181 T CA -1.234 60.875 62.100 0.015 0.000 1.002 181 T CB 2.115 70.960 68.868 -0.039 0.000 1.127 181 T HN 0.303 nan 8.240 nan 0.000 0.488 182 K N 0.414 120.813 120.400 -0.002 0.000 2.059 182 K HA -0.178 4.142 4.320 -0.000 0.000 0.212 182 K C 1.989 178.587 176.600 -0.003 0.000 1.050 182 K CA 1.865 58.151 56.287 -0.001 0.000 0.927 182 K CB -0.062 32.428 32.500 -0.017 0.000 0.714 182 K HN 0.618 nan 8.250 nan 0.000 0.447 183 E N 0.476 120.659 120.200 -0.028 0.000 2.153 183 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 183 E C 1.565 178.128 176.600 -0.062 0.000 0.988 183 E CA 0.832 57.205 56.400 -0.046 0.000 0.811 183 E CB -0.222 29.438 29.700 -0.067 0.000 0.746 183 E HN 0.245 nan 8.360 nan 0.000 0.466 184 N N 0.516 119.178 118.700 -0.063 0.000 2.412 184 N HA 0.002 4.742 4.740 -0.000 0.000 0.184 184 N C 0.143 175.702 175.510 0.080 0.000 1.101 184 N CA 0.096 53.102 53.050 -0.074 0.000 0.881 184 N CB 0.219 38.627 38.487 -0.131 0.000 0.969 184 N HN 0.077 nan 8.380 nan 0.000 0.459 185 L N -1.569 119.716 121.223 0.103 0.000 2.319 185 L HA 0.719 5.058 4.340 -0.000 0.000 0.267 185 L C -0.787 176.183 176.870 0.168 0.000 1.011 185 L CA -0.829 54.118 54.840 0.179 0.000 0.818 185 L CB 1.660 43.819 42.059 0.166 0.000 1.316 185 L HN -0.199 nan 8.230 nan 0.000 0.432 186 E N 0.756 121.073 120.200 0.195 0.000 2.265 186 E HA 0.541 4.890 4.350 -0.000 0.000 0.262 186 E C -1.308 175.371 176.600 0.132 0.000 0.889 186 E CA -0.721 55.773 56.400 0.158 0.000 0.789 186 E CB 2.389 32.203 29.700 0.189 0.000 1.221 186 E HN 0.482 nan 8.360 nan 0.000 0.414 187 V N 1.997 121.977 119.914 0.109 0.000 2.732 187 V HA 0.432 4.552 4.120 -0.000 0.000 0.297 187 V C 0.057 176.205 176.094 0.091 0.000 1.060 187 V CA -0.106 62.258 62.300 0.106 0.000 1.038 187 V CB 1.611 33.495 31.823 0.102 0.000 1.003 187 V HN 0.650 nan 8.190 nan 0.000 0.481 188 S N 2.728 118.481 115.700 0.088 0.000 2.511 188 S HA 0.495 4.965 4.470 -0.000 0.000 0.233 188 S C -0.221 174.420 174.600 0.068 0.000 1.104 188 S CA -0.207 58.033 58.200 0.065 0.000 1.129 188 S CB 0.442 63.666 63.200 0.041 0.000 1.159 188 S HN 1.130 nan 8.310 nan 0.000 0.451 189 G N 2.761 111.606 108.800 0.076 0.000 2.350 189 G HA2 0.474 4.434 3.960 -0.000 0.000 0.306 189 G HA3 0.474 4.434 3.960 -0.000 0.000 0.306 189 G C -0.431 174.490 174.900 0.034 0.000 1.094 189 G CA -0.380 44.768 45.100 0.080 0.000 0.953 189 G HN 0.584 nan 8.290 nan 0.000 0.420 190 E N 2.646 122.842 120.200 -0.006 0.000 2.229 190 E HA 0.176 4.526 4.350 -0.000 0.000 0.283 190 E C 0.925 177.481 176.600 -0.072 0.000 1.030 190 E CA -0.344 56.032 56.400 -0.040 0.000 0.836 190 E CB 0.277 29.941 29.700 -0.059 0.000 1.068 190 E HN 0.528 nan 8.360 nan 0.000 0.401 191 N N 2.920 121.590 118.700 -0.051 0.000 2.783 191 N HA -0.142 4.598 4.740 -0.000 0.000 0.247 191 N C -1.636 173.853 175.510 -0.035 0.000 1.089 191 N CA 0.754 53.769 53.050 -0.059 0.000 0.690 191 N CB -0.717 37.706 38.487 -0.107 0.000 0.991 191 N HN 0.211 nan 8.380 nan 0.000 0.552 192 V N 1.067 120.988 119.914 0.013 0.000 2.709 192 V HA 0.356 4.476 4.120 -0.000 0.000 0.308 192 V C 0.571 176.707 176.094 0.071 0.000 1.062 192 V CA -0.957 61.386 62.300 0.072 0.000 0.901 192 V CB 2.151 34.048 31.823 0.124 0.000 1.003 192 V HN 0.122 nan 8.190 nan 0.000 0.425 193 V N 1.644 121.609 119.914 0.086 0.000 2.409 193 V HA 0.144 4.264 4.120 -0.000 0.000 0.270 193 V C 1.321 177.449 176.094 0.056 0.000 1.019 193 V CA 0.375 62.712 62.300 0.061 0.000 1.066 193 V CB -0.242 31.617 31.823 0.061 0.000 1.021 193 V HN 1.054 nan 8.190 nan 0.000 0.476 194 E N 4.232 124.455 120.200 0.039 0.000 2.130 194 E HA -0.264 4.086 4.350 -0.000 0.000 0.196 194 E C 2.121 178.728 176.600 0.011 0.000 0.998 194 E CA 1.830 58.249 56.400 0.033 0.000 0.806 194 E CB -0.024 29.690 29.700 0.024 0.000 0.738 194 E HN 0.968 nan 8.360 nan 0.000 0.459 195 A N 1.192 124.008 122.820 -0.006 0.000 1.883 195 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 195 A C 1.851 179.380 177.584 -0.091 0.000 1.186 195 A CA 1.989 54.002 52.037 -0.040 0.000 0.624 195 A CB -0.507 18.469 19.000 -0.039 0.000 0.822 195 A HN 0.266 nan 8.150 nan 0.000 0.444 196 D N -0.786 119.559 120.400 -0.092 0.000 2.224 196 D HA -0.053 4.587 4.640 -0.000 0.000 0.205 196 D C 1.793 178.020 176.300 -0.122 0.000 0.965 196 D CA 0.767 54.630 54.000 -0.228 0.000 0.852 196 D CB -0.220 40.524 40.800 -0.094 0.000 0.947 196 D HN 0.333 nan 8.370 nan 0.000 0.494 197 L N 1.264 122.521 121.223 0.057 0.000 2.027 197 L HA -0.099 4.241 4.340 -0.000 0.000 0.206 197 L C 1.964 178.896 176.870 0.103 0.000 1.074 197 L CA 1.795 56.727 54.840 0.152 0.000 0.745 197 L CB -0.320 41.822 42.059 0.138 0.000 0.898 197 L HN -0.206 nan 8.230 nan 0.000 0.433 198 K N -0.786 119.633 120.400 0.032 0.000 2.026 198 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 198 K C 2.314 178.910 176.600 -0.006 0.000 1.048 198 K CA 1.638 57.937 56.287 0.019 0.000 0.929 198 K CB -0.248 32.252 32.500 0.001 0.000 0.713 198 K HN 0.280 nan 8.250 nan 0.000 0.439 199 R N 0.259 120.702 120.500 -0.095 0.000 2.091 199 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 199 R C 1.954 178.214 176.300 -0.067 0.000 1.136 199 R CA 1.738 57.740 56.100 -0.162 0.000 0.959 199 R CB -0.306 29.777 30.300 -0.360 0.000 0.856 199 R HN 0.198 nan 8.270 nan 0.000 0.437 200 F N -0.263 119.703 119.950 0.027 0.000 2.293 200 F HA -0.076 4.451 4.527 -0.000 0.000 0.297 200 F C 2.298 178.110 175.800 0.019 0.000 1.089 200 F CA 0.150 58.165 58.000 0.025 0.000 1.377 200 F CB 0.162 39.184 39.000 0.036 0.000 1.051 200 F HN -0.129 nan 8.300 nan 0.000 0.511 201 V N -0.929 119.105 119.914 0.200 0.000 2.427 201 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 201 V C 0.779 176.918 176.094 0.075 0.000 1.051 201 V CA 1.227 63.598 62.300 0.118 0.000 1.048 201 V CB -0.469 31.410 31.823 0.093 0.000 0.666 201 V HN 0.144 nan 8.190 nan 0.000 0.456 202 D N -0.336 120.104 120.400 0.066 0.000 2.383 202 D HA 0.182 4.822 4.640 -0.000 0.000 0.248 202 D C 1.184 177.518 176.300 0.056 0.000 1.170 202 D CA 0.588 54.610 54.000 0.036 0.000 0.977 202 D CB 0.792 41.603 40.800 0.018 0.000 1.120 202 D HN 0.579 nan 8.370 nan 0.000 0.481 203 E N -1.665 118.555 120.200 0.034 0.000 3.680 203 E HA -0.276 4.074 4.350 -0.000 0.000 0.309 203 E C -0.406 176.220 176.600 0.043 0.000 0.793 203 E CA 1.350 57.776 56.400 0.043 0.000 1.083 203 E CB -1.551 28.190 29.700 0.068 0.000 1.548 203 E HN 0.293 nan 8.360 nan 0.000 0.456 204 S N -0.390 115.331 115.700 0.035 0.000 2.758 204 S HA 0.587 5.057 4.470 -0.000 0.000 0.292 204 S C 0.896 175.477 174.600 -0.032 0.000 1.131 204 S CA -0.364 57.844 58.200 0.014 0.000 0.997 204 S CB 1.272 64.489 63.200 0.027 0.000 1.111 204 S HN 0.156 nan 8.310 nan 0.000 0.552 205 L N 0.862 122.054 121.223 -0.050 0.000 2.552 205 L HA 0.140 4.480 4.340 -0.000 0.000 0.227 205 L C 2.021 178.763 176.870 -0.214 0.000 1.146 205 L CA 0.408 55.168 54.840 -0.133 0.000 0.858 205 L CB -0.817 41.225 42.059 -0.027 0.000 0.969 205 L HN 0.540 nan 8.230 nan 0.000 0.451 206 L N -0.108 121.051 121.223 -0.107 0.000 1.994 206 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 206 L C 2.771 179.575 176.870 -0.111 0.000 1.071 206 L CA 2.289 57.078 54.840 -0.086 0.000 0.745 206 L CB -1.241 40.808 42.059 -0.017 0.000 0.892 206 L HN 0.533 nan 8.230 nan 0.000 0.431 207 S N -2.182 113.465 115.700 -0.088 0.000 2.399 207 S HA -0.155 4.315 4.470 -0.000 0.000 0.231 207 S C 1.630 176.154 174.600 -0.127 0.000 1.022 207 S CA 1.521 59.673 58.200 -0.080 0.000 0.983 207 S CB -0.960 62.211 63.200 -0.048 0.000 0.803 207 S HN 0.458 nan 8.310 nan 0.000 0.480 208 T N 2.265 116.698 114.554 -0.203 0.000 3.227 208 T HA 0.303 4.653 4.350 -0.000 0.000 0.257 208 T C 0.501 174.982 174.700 -0.366 0.000 1.162 208 T CA 0.077 62.019 62.100 -0.263 0.000 1.051 208 T CB -0.507 68.179 68.868 -0.303 0.000 0.953 208 T HN 0.320 nan 8.240 nan 0.000 0.535 209 L N 1.468 122.503 121.223 -0.313 0.000 2.436 209 L HA 0.287 4.627 4.340 -0.000 0.000 0.265 209 L C -1.889 174.922 176.870 -0.099 0.000 1.168 209 L CA -2.260 52.444 54.840 -0.227 0.000 0.815 209 L CB 0.426 42.407 42.059 -0.130 0.000 1.109 209 L HN -0.072 nan 8.230 nan 0.000 0.462 210 P HA 0.052 nan 4.420 nan 0.000 0.271 210 P C -1.082 176.201 177.300 -0.028 0.000 1.244 210 P CA -0.219 62.868 63.100 -0.021 0.000 0.793 210 P CB 0.563 32.264 31.700 0.002 0.000 0.984 211 A N 0.957 123.759 122.820 -0.030 0.000 3.105 211 A HA 0.527 4.847 4.320 -0.000 0.000 0.297 211 A C 0.707 178.265 177.584 -0.043 0.000 0.977 211 A CA -0.296 51.721 52.037 -0.034 0.000 1.020 211 A CB -0.761 18.220 19.000 -0.032 0.000 1.098 211 A HN 0.572 nan 8.150 nan 0.000 0.497 212 G N 1.075 109.846 108.800 -0.049 0.000 2.630 212 G HA2 0.324 4.283 3.960 -0.000 0.000 0.236 212 G HA3 0.324 4.283 3.960 -0.000 0.000 0.236 212 G C 0.315 175.168 174.900 -0.079 0.000 1.248 212 G CA -0.487 44.575 45.100 -0.064 0.000 0.844 212 G HN 0.780 nan 8.290 nan 0.000 0.588 213 K N 0.402 120.752 120.400 -0.083 0.000 2.489 213 K HA 0.118 4.438 4.320 -0.000 0.000 0.278 213 K C 0.728 177.247 176.600 -0.135 0.000 1.000 213 K CA 0.113 56.343 56.287 -0.095 0.000 1.012 213 K CB 0.369 32.818 32.500 -0.085 0.000 0.903 213 K HN 0.510 nan 8.250 nan 0.000 0.485 214 S N 2.720 118.332 115.700 -0.148 0.000 2.596 214 S HA 0.062 4.532 4.470 -0.000 0.000 0.260 214 S C 0.504 174.946 174.600 -0.264 0.000 1.336 214 S CA -0.703 57.367 58.200 -0.217 0.000 0.993 214 S CB 0.479 63.546 63.200 -0.221 0.000 0.923 214 S HN 0.683 nan 8.310 nan 0.000 0.567 215 L N 1.434 122.414 121.223 -0.404 0.000 3.141 215 L HA 0.382 4.722 4.340 -0.000 0.000 0.263 215 L C -1.310 175.310 176.870 -0.416 0.000 1.312 215 L CA -0.337 54.230 54.840 -0.455 0.000 1.012 215 L CB 0.607 42.245 42.059 -0.702 0.000 1.408 215 L HN 0.529 nan 8.230 nan 0.000 0.559 216 V N -0.313 119.438 119.914 -0.272 0.000 2.378 216 V HA 0.371 4.490 4.120 -0.000 0.000 0.288 216 V C 0.164 176.226 176.094 -0.054 0.000 1.016 216 V CA -0.588 61.637 62.300 -0.126 0.000 0.840 216 V CB 1.611 33.319 31.823 -0.191 0.000 0.994 216 V HN 0.399 nan 8.190 nan 0.000 0.431 217 S N 3.183 118.885 115.700 0.002 0.000 2.489 217 S HA 0.416 4.886 4.470 -0.000 0.000 0.291 217 S C 0.649 175.256 174.600 0.011 0.000 1.151 217 S CA -0.832 57.366 58.200 -0.003 0.000 1.082 217 S CB 1.504 64.703 63.200 -0.002 0.000 1.019 217 S HN 0.882 nan 8.310 nan 0.000 0.492 218 K N 1.211 121.616 120.400 0.009 0.000 2.432 218 K HA 0.034 4.354 4.320 -0.000 0.000 0.196 218 K C 0.525 177.138 176.600 0.022 0.000 1.038 218 K CA 0.375 56.676 56.287 0.024 0.000 0.986 218 K CB -0.244 32.269 32.500 0.022 0.000 0.782 218 K HN 0.610 nan 8.250 nan 0.000 0.485 219 S N 1.219 116.921 115.700 0.003 0.000 2.564 219 S HA 0.103 4.573 4.470 -0.000 0.000 0.278 219 S C -0.492 174.094 174.600 -0.024 0.000 1.333 219 S CA -0.901 57.292 58.200 -0.012 0.000 1.048 219 S CB 1.007 64.190 63.200 -0.029 0.000 0.900 219 S HN 0.230 nan 8.310 nan 0.000 0.505 220 E N 3.280 123.460 120.200 -0.034 0.000 2.328 220 E HA 0.129 4.479 4.350 -0.000 0.000 0.265 220 E C -1.684 174.797 176.600 -0.198 0.000 1.057 220 E CA -1.304 55.060 56.400 -0.059 0.000 0.916 220 E CB 0.185 29.870 29.700 -0.025 0.000 0.993 220 E HN 0.514 nan 8.360 nan 0.000 0.446 221 P HA -0.029 nan 4.420 nan 0.000 0.238 221 P C -0.955 176.280 177.300 -0.109 0.000 1.714 221 P CA -0.069 62.955 63.100 -0.125 0.000 0.908 221 P CB 0.051 31.677 31.700 -0.122 0.000 1.893 222 K N -0.575 119.626 120.400 -0.331 0.000 5.226 222 K HA -0.192 4.128 4.320 -0.000 0.000 0.572 222 K C -0.128 176.390 176.600 -0.136 0.000 2.579 222 K CA 0.635 56.713 56.287 -0.348 0.000 2.030 222 K CB -1.334 31.115 32.500 -0.085 0.000 2.527 222 K HN 0.077 nan 8.250 nan 0.000 0.150 223 F N 0.066 119.967 119.950 -0.081 0.000 2.423 223 F HA 0.355 4.882 4.527 -0.000 0.000 0.269 223 F C 0.437 176.299 175.800 0.103 0.000 0.880 223 F CA 0.160 58.195 58.000 0.058 0.000 1.134 223 F CB -0.153 38.857 39.000 0.016 0.000 1.143 223 F HN 0.592 nan 8.300 nan 0.000 0.802 224 F N 1.010 121.084 119.950 0.207 0.000 2.115 224 F HA -0.116 4.411 4.527 -0.000 0.000 0.478 224 F C -0.741 175.087 175.800 0.047 0.000 1.242 224 F CA -0.485 57.568 58.000 0.088 0.000 1.540 224 F CB -1.131 37.897 39.000 0.047 0.000 2.457 224 F HN -0.144 nan 8.300 nan 0.000 0.726 225 L N 1.606 122.947 121.223 0.196 0.000 2.341 225 L HA 0.816 5.156 4.340 -0.000 0.000 0.254 225 L C 0.928 177.833 176.870 0.058 0.000 1.040 225 L CA -0.616 54.278 54.840 0.090 0.000 0.837 225 L CB 2.059 44.141 42.059 0.039 0.000 1.425 225 L HN 1.011 nan 8.230 nan 0.000 0.414 226 G N 0.368 109.163 108.800 -0.008 0.000 2.179 226 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.257 226 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.257 226 G C -0.050 174.873 174.900 0.038 0.000 1.010 226 G CA -0.127 44.954 45.100 -0.031 0.000 0.736 226 G HN 0.463 nan 8.290 nan 0.000 0.513 227 E N 0.563 120.803 120.200 0.067 0.000 2.204 227 E HA 0.544 4.894 4.350 -0.000 0.000 0.276 227 E C 0.440 177.099 176.600 0.097 0.000 0.974 227 E CA -0.185 56.255 56.400 0.067 0.000 0.815 227 E CB 1.470 31.192 29.700 0.037 0.000 1.119 227 E HN 0.825 nan 8.360 nan 0.000 0.393 228 E N 1.866 122.122 120.200 0.093 0.000 2.331 228 E HA 0.532 4.882 4.350 -0.000 0.000 0.275 228 E C -1.022 175.604 176.600 0.044 0.000 0.895 228 E CA -0.941 55.525 56.400 0.108 0.000 0.753 228 E CB 1.669 31.507 29.700 0.230 0.000 1.216 228 E HN 0.075 nan 8.360 nan 0.000 0.434 229 N N 1.257 119.944 118.700 -0.020 0.000 2.225 229 N HA 0.416 5.156 4.740 -0.000 0.000 0.298 229 N C -1.633 173.817 175.510 -0.099 0.000 1.076 229 N CA -0.735 52.290 53.050 -0.040 0.000 0.792 229 N CB 1.961 40.425 38.487 -0.039 0.000 1.498 229 N HN 0.481 nan 8.380 nan 0.000 0.474 230 R N 1.250 121.705 120.500 -0.075 0.000 2.393 230 R HA 0.579 4.919 4.340 -0.000 0.000 0.315 230 R C -0.984 175.279 176.300 -0.062 0.000 0.952 230 R CA -0.842 55.193 56.100 -0.109 0.000 0.842 230 R CB 1.689 31.916 30.300 -0.121 0.000 1.163 230 R HN 0.143 nan 8.270 nan 0.000 0.450 231 V N 4.217 124.092 119.914 -0.064 0.000 2.409 231 V HA 0.361 4.481 4.120 -0.000 0.000 0.291 231 V C 0.175 176.281 176.094 0.019 0.000 1.020 231 V CA -0.966 61.324 62.300 -0.016 0.000 0.848 231 V CB 1.621 33.433 31.823 -0.018 0.000 0.990 231 V HN 0.671 nan 8.190 nan 0.000 0.430 232 R N 4.423 124.948 120.500 0.042 0.000 2.298 232 R HA 0.544 4.884 4.340 -0.000 0.000 0.310 232 R C -0.947 175.438 176.300 0.142 0.000 1.068 232 R CA -0.065 56.074 56.100 0.066 0.000 0.957 232 R CB 0.772 31.093 30.300 0.035 0.000 1.003 232 R HN 0.627 nan 8.270 nan 0.000 0.454 233 F N 2.957 122.886 119.950 -0.036 0.000 2.591 233 F HA 0.463 4.989 4.527 -0.000 0.000 0.309 233 F C -0.964 174.817 175.800 -0.032 0.000 1.098 233 F CA -1.144 56.833 58.000 -0.037 0.000 0.937 233 F CB 1.402 40.374 39.000 -0.047 0.000 1.250 233 F HN 0.308 nan 8.300 nan 0.000 0.447 234 I N 5.966 126.173 120.570 -0.606 0.000 2.325 234 I HA 0.624 4.794 4.170 -0.000 0.000 0.291 234 I C 0.576 176.444 176.117 -0.415 0.000 1.019 234 I CA 0.420 61.483 61.300 -0.394 0.000 1.302 234 I CB 0.555 38.355 38.000 -0.333 0.000 1.401 234 I HN 0.952 nan 8.210 nan 0.000 0.485 235 G N 5.507 114.278 108.800 -0.049 0.000 2.348 235 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.199 235 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.199 235 G C -0.906 174.107 174.900 0.188 0.000 1.235 235 G CA -0.804 44.342 45.100 0.077 0.000 1.264 235 G HN 0.471 nan 8.290 nan 0.000 0.543 236 D N 1.742 122.285 120.400 0.238 0.000 2.472 236 D HA 0.490 5.130 4.640 -0.000 0.000 0.248 236 D C 0.448 176.808 176.300 0.100 0.000 1.174 236 D CA 0.727 54.803 54.000 0.127 0.000 0.883 236 D CB 0.902 41.741 40.800 0.066 0.000 1.149 236 D HN 0.452 nan 8.370 nan 0.000 0.488 237 S N 1.125 116.859 115.700 0.056 0.000 2.525 237 S HA 0.520 4.990 4.470 -0.000 0.000 0.278 237 S C -0.377 174.215 174.600 -0.013 0.000 1.234 237 S CA -0.754 57.462 58.200 0.026 0.000 1.058 237 S CB 1.815 65.036 63.200 0.035 0.000 0.983 237 S HN 0.280 nan 8.310 nan 0.000 0.495 238 V N 2.408 122.294 119.914 -0.047 0.000 2.668 238 V HA 0.784 4.904 4.120 -0.000 0.000 0.304 238 V C -0.859 175.214 176.094 -0.034 0.000 1.071 238 V CA -0.566 61.712 62.300 -0.037 0.000 0.894 238 V CB 1.502 33.283 31.823 -0.071 0.000 1.008 238 V HN 1.016 nan 8.190 nan 0.000 0.425 239 A N 5.370 128.197 122.820 0.013 0.000 2.317 239 A HA 1.045 5.365 4.320 -0.000 0.000 0.327 239 A C -0.089 177.518 177.584 0.039 0.000 1.178 239 A CA 0.119 52.168 52.037 0.020 0.000 0.817 239 A CB 1.555 20.652 19.000 0.162 0.000 1.189 239 A HN 2.172 nan 8.150 nan 0.000 0.489 240 A N 1.642 124.442 122.820 -0.033 0.000 2.606 240 A HA 0.794 5.114 4.320 -0.000 0.000 0.293 240 A C -0.841 176.669 177.584 -0.122 0.000 1.082 240 A CA -0.401 51.562 52.037 -0.124 0.000 0.685 240 A CB 0.967 19.878 19.000 -0.148 0.000 1.284 240 A HN 1.629 nan 8.150 nan 0.000 0.408 241 I N -1.193 119.222 120.570 -0.258 0.000 2.686 241 I HA 0.879 5.049 4.170 -0.000 0.000 0.295 241 I C -0.015 175.950 176.117 -0.254 0.000 1.114 241 I CA -0.969 60.228 61.300 -0.171 0.000 1.038 241 I CB 2.386 40.229 38.000 -0.261 0.000 1.238 241 I HN 0.804 nan 8.210 nan 0.000 0.420 242 G N 5.742 114.478 108.800 -0.107 0.000 2.590 242 G HA2 0.763 4.723 3.960 -0.000 0.000 0.310 242 G HA3 0.763 4.723 3.960 -0.000 0.000 0.310 242 G C -1.188 173.712 174.900 -0.000 0.000 1.347 242 G CA -0.670 44.351 45.100 -0.132 0.000 0.963 242 G HN 0.610 nan 8.290 nan 0.000 0.494 243 I N 3.724 124.324 120.570 0.050 0.000 2.439 243 I HA 0.311 4.481 4.170 -0.000 0.000 0.285 243 I C -2.161 173.863 176.117 -0.154 0.000 1.021 243 I CA -2.318 59.005 61.300 0.038 0.000 1.091 243 I CB 2.982 41.118 38.000 0.227 0.000 1.242 243 I HN 0.262 nan 8.210 nan 0.000 0.439 244 P HA 0.138 nan 4.420 nan 0.000 0.271 244 P C -0.492 176.511 177.300 -0.494 0.000 1.218 244 P CA -0.017 62.916 63.100 -0.280 0.000 0.780 244 P CB 1.661 33.160 31.700 -0.335 0.000 0.901 245 V N -0.021 119.652 119.914 -0.402 0.000 3.181 245 V HA 0.624 4.744 4.120 -0.000 0.000 0.314 245 V C -0.139 175.823 176.094 -0.220 0.000 1.173 245 V CA -0.997 61.072 62.300 -0.386 0.000 1.052 245 V CB 1.741 33.368 31.823 -0.327 0.000 1.123 245 V HN 0.442 nan 8.190 nan 0.000 0.454 246 N N -0.152 118.515 118.700 -0.056 0.000 2.671 246 N HA 0.434 5.174 4.740 -0.000 0.000 0.303 246 N C 0.271 175.843 175.510 0.102 0.000 1.277 246 N CA -0.735 52.371 53.050 0.093 0.000 0.933 246 N CB 1.065 39.621 38.487 0.116 0.000 1.190 246 N HN 0.639 nan 8.380 nan 0.000 0.600 247 K N 0.127 120.600 120.400 0.121 0.000 2.504 247 K HA 0.077 4.397 4.320 -0.000 0.000 0.195 247 K C 0.858 177.511 176.600 0.088 0.000 1.036 247 K CA 0.629 56.978 56.287 0.104 0.000 0.984 247 K CB 0.165 32.724 32.500 0.098 0.000 0.788 247 K HN 0.495 nan 8.250 nan 0.000 0.488 248 A N -0.349 122.524 122.820 0.088 0.000 2.140 248 A HA 0.079 4.399 4.320 -0.000 0.000 0.199 248 A C 1.834 179.472 177.584 0.090 0.000 1.416 248 A CA 0.035 52.121 52.037 0.081 0.000 1.018 248 A CB 0.146 19.190 19.000 0.073 0.000 1.117 248 A HN 0.098 nan 8.150 nan 0.000 0.480 249 S N 0.559 116.321 115.700 0.104 0.000 2.447 249 S HA -0.088 4.382 4.470 -0.000 0.000 0.233 249 S C 1.911 176.626 174.600 0.192 0.000 1.006 249 S CA 1.148 59.436 58.200 0.147 0.000 0.957 249 S CB -0.731 62.565 63.200 0.159 0.000 0.773 249 S HN 0.687 nan 8.310 nan 0.000 0.507 250 L N -0.385 120.914 121.223 0.126 0.000 2.450 250 L HA 0.095 4.435 4.340 -0.000 0.000 0.224 250 L C 2.152 179.090 176.870 0.113 0.000 1.149 250 L CA 1.232 56.143 54.840 0.119 0.000 0.816 250 L CB -0.825 41.278 42.059 0.073 0.000 0.932 250 L HN 0.267 nan 8.230 nan 0.000 0.449 251 A N 1.605 124.481 122.820 0.094 0.000 1.898 251 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 251 A C 2.392 179.994 177.584 0.030 0.000 1.181 251 A CA 1.720 53.795 52.037 0.064 0.000 0.620 251 A CB -0.537 18.502 19.000 0.066 0.000 0.819 251 A HN 0.793 nan 8.150 nan 0.000 0.442 252 Q N -2.593 117.208 119.800 0.001 0.000 2.212 252 Q HA -0.072 4.268 4.340 -0.000 0.000 0.199 252 Q C 1.732 177.556 176.000 -0.295 0.000 0.950 252 Q CA 1.255 56.977 55.803 -0.135 0.000 0.863 252 Q CB -0.581 28.054 28.738 -0.172 0.000 0.944 252 Q HN 0.605 nan 8.270 nan 0.000 0.465 253 Y N 1.376 121.517 120.300 -0.265 0.000 2.403 253 Y HA -0.117 4.433 4.550 -0.000 0.000 0.291 253 Y C 2.361 178.111 175.900 -0.249 0.000 1.143 253 Y CA 1.202 59.058 58.100 -0.407 0.000 1.257 253 Y CB 0.196 38.482 38.460 -0.290 0.000 0.984 253 Y HN 0.214 nan 8.280 nan 0.000 0.550 254 E N -0.055 120.150 120.200 0.008 0.000 2.072 254 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 254 E C 2.470 179.070 176.600 0.001 0.000 0.982 254 E CA 1.443 57.861 56.400 0.030 0.000 0.803 254 E CB -0.382 29.333 29.700 0.025 0.000 0.755 254 E HN 0.400 nan 8.360 nan 0.000 0.453 255 V N -0.108 119.781 119.914 -0.041 0.000 2.453 255 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 255 V C 2.489 178.581 176.094 -0.003 0.000 1.048 255 V CA 1.514 63.808 62.300 -0.009 0.000 1.049 255 V CB -0.840 30.972 31.823 -0.018 0.000 0.672 255 V HN 0.174 nan 8.190 nan 0.000 0.457 256 L N 1.863 122.982 121.223 -0.173 0.000 2.081 256 L HA -0.020 4.320 4.340 -0.000 0.000 0.212 256 L C 2.579 179.471 176.870 0.036 0.000 1.080 256 L CA 2.503 57.218 54.840 -0.209 0.000 0.754 256 L CB -1.176 40.403 42.059 -0.801 0.000 0.893 256 L HN 0.357 nan 8.230 nan 0.000 0.433 257 A N -0.214 122.652 122.820 0.076 0.000 1.858 257 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 257 A C 2.058 179.750 177.584 0.181 0.000 1.190 257 A CA 1.982 54.176 52.037 0.261 0.000 0.617 257 A CB -0.946 18.228 19.000 0.289 0.000 0.827 257 A HN 0.597 nan 8.150 nan 0.000 0.443 258 N N -1.594 117.195 118.700 0.148 0.000 2.309 258 N HA -0.134 4.606 4.740 -0.000 0.000 0.182 258 N C 1.457 177.129 175.510 0.270 0.000 1.018 258 N CA 1.445 54.590 53.050 0.158 0.000 0.876 258 N CB -0.455 38.078 38.487 0.077 0.000 0.972 258 N HN 0.676 nan 8.380 nan 0.000 0.434 259 Y N 1.067 121.442 120.300 0.124 0.000 2.200 259 Y HA 0.043 4.593 4.550 -0.000 0.000 0.290 259 Y C 1.449 177.400 175.900 0.085 0.000 1.137 259 Y CA 1.197 59.358 58.100 0.102 0.000 1.163 259 Y CB -0.316 38.166 38.460 0.037 0.000 0.988 259 Y HN -0.003 nan 8.280 nan 0.000 0.518 260 L N -0.178 120.991 121.223 -0.090 0.000 2.610 260 L HA -0.026 4.313 4.340 -0.000 0.000 0.232 260 L C 0.707 177.537 176.870 -0.066 0.000 1.149 260 L CA 1.154 55.897 54.840 -0.161 0.000 0.872 260 L CB -0.268 41.809 42.059 0.031 0.000 0.992 260 L HN 0.197 nan 8.230 nan 0.000 0.447 261 T N -1.969 112.589 114.554 0.007 0.000 3.252 261 T HA 0.179 4.529 4.350 -0.000 0.000 0.286 261 T C 0.321 175.063 174.700 0.071 0.000 1.013 261 T CA -0.140 61.984 62.100 0.040 0.000 0.914 261 T CB 0.236 69.147 68.868 0.072 0.000 1.131 261 T HN 0.256 nan 8.240 nan 0.000 0.529 262 S N 0.053 115.772 115.700 0.031 0.000 2.671 262 S HA 0.789 5.258 4.470 -0.000 0.000 0.299 262 S C 1.165 175.727 174.600 -0.065 0.000 1.116 262 S CA -0.546 57.674 58.200 0.034 0.000 0.912 262 S CB 1.616 64.854 63.200 0.064 0.000 1.130 262 S HN 0.081 nan 8.310 nan 0.000 0.501 263 A N 0.127 122.899 122.820 -0.080 0.000 2.248 263 A HA 0.231 4.550 4.320 -0.000 0.000 0.210 263 A C 1.537 179.072 177.584 -0.082 0.000 1.174 263 A CA 0.445 52.437 52.037 -0.076 0.000 0.750 263 A CB -1.009 17.951 19.000 -0.067 0.000 0.780 263 A HN 0.773 nan 8.150 nan 0.000 0.478 264 L N -0.992 120.174 121.223 -0.096 0.000 2.418 264 L HA 0.054 4.394 4.340 -0.000 0.000 0.218 264 L C 1.224 178.088 176.870 -0.010 0.000 1.125 264 L CA 0.373 55.203 54.840 -0.017 0.000 0.835 264 L CB -0.005 42.093 42.059 0.065 0.000 0.953 264 L HN 0.345 nan 8.230 nan 0.000 0.454 265 S N -0.327 115.244 115.700 -0.214 0.000 2.442 265 S HA 0.154 4.624 4.470 -0.000 0.000 0.297 265 S C 1.037 175.548 174.600 -0.149 0.000 1.131 265 S CA -0.647 57.353 58.200 -0.333 0.000 1.092 265 S CB 1.116 63.861 63.200 -0.757 0.000 0.998 265 S HN 0.174 nan 8.310 nan 0.000 0.478 266 E N 2.389 122.549 120.200 -0.067 0.000 2.160 266 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 266 E C 0.495 177.069 176.600 -0.044 0.000 0.991 266 E CA 1.104 57.483 56.400 -0.034 0.000 0.810 266 E CB -0.204 29.495 29.700 -0.002 0.000 0.742 266 E HN 0.624 nan 8.360 nan 0.000 0.466 267 L N -1.066 120.118 121.223 -0.064 0.000 3.084 267 L HA 0.268 4.608 4.340 -0.000 0.000 0.238 267 L C 1.087 177.916 176.870 -0.070 0.000 1.327 267 L CA -0.181 54.629 54.840 -0.051 0.000 1.094 267 L CB 0.266 42.310 42.059 -0.025 0.000 1.477 267 L HN -0.176 nan 8.230 nan 0.000 0.514 268 S N -1.336 114.314 115.700 -0.083 0.000 2.439 268 S HA 0.110 4.580 4.470 -0.000 0.000 0.224 268 S C 1.700 176.279 174.600 -0.035 0.000 1.029 268 S CA 0.493 58.648 58.200 -0.074 0.000 0.946 268 S CB -0.478 62.670 63.200 -0.087 0.000 0.797 268 S HN 0.478 nan 8.310 nan 0.000 0.504 269 G N 0.796 109.578 108.800 -0.029 0.000 2.848 269 G HA2 0.223 4.183 3.960 -0.000 0.000 0.208 269 G HA3 0.223 4.183 3.960 -0.000 0.000 0.208 269 G C 0.910 175.805 174.900 -0.008 0.000 1.152 269 G CA 0.181 45.272 45.100 -0.015 0.000 0.789 269 G HN 0.459 nan 8.290 nan 0.000 0.531 270 L N 0.415 121.632 121.223 -0.010 0.000 2.607 270 L HA 0.423 4.762 4.340 -0.000 0.000 0.228 270 L C 0.978 177.850 176.870 0.003 0.000 1.123 270 L CA 0.182 55.020 54.840 -0.003 0.000 0.890 270 L CB 0.005 42.062 42.059 -0.004 0.000 1.103 270 L HN 0.334 nan 8.230 nan 0.000 0.468 271 I N -6.597 113.975 120.570 0.004 0.000 3.067 271 I HA 0.526 4.696 4.170 -0.000 0.000 0.312 271 I C 0.432 176.564 176.117 0.024 0.000 1.073 271 I CA -0.544 60.765 61.300 0.016 0.000 1.016 271 I CB 1.881 39.888 38.000 0.012 0.000 1.227 271 I HN -0.310 nan 8.210 nan 0.000 0.456 272 S N 0.409 116.137 115.700 0.046 0.000 2.641 272 S HA 0.176 4.646 4.470 -0.000 0.000 0.239 272 S C 0.598 175.234 174.600 0.059 0.000 1.081 272 S CA 0.108 58.333 58.200 0.041 0.000 0.904 272 S CB 0.362 63.582 63.200 0.034 0.000 0.803 272 S HN 0.725 nan 8.310 nan 0.000 0.510 273 S N -0.040 115.731 115.700 0.118 0.000 2.549 273 S HA 0.792 5.262 4.470 -0.000 0.000 0.280 273 S C -1.890 172.779 174.600 0.116 0.000 1.109 273 S CA -0.385 57.904 58.200 0.149 0.000 0.905 273 S CB 1.792 65.128 63.200 0.226 0.000 1.081 273 S HN 0.461 nan 8.310 nan 0.000 0.477 274 A N 3.559 126.421 122.820 0.069 0.000 2.480 274 A HA 0.755 5.075 4.320 -0.000 0.000 0.289 274 A C -1.076 176.540 177.584 0.054 0.000 1.044 274 A CA -0.843 51.187 52.037 -0.012 0.000 0.761 274 A CB 0.894 19.941 19.000 0.078 0.000 1.289 274 A HN 0.926 nan 8.150 nan 0.000 0.401 275 K N 0.773 121.167 120.400 -0.011 0.000 2.579 275 K HA 0.795 5.115 4.320 -0.000 0.000 0.284 275 K C -1.890 174.789 176.600 0.132 0.000 0.990 275 K CA -0.911 55.432 56.287 0.094 0.000 0.880 275 K CB 1.585 34.133 32.500 0.080 0.000 1.488 275 K HN 0.672 nan 8.250 nan 0.000 0.425 276 L N 1.611 122.936 121.223 0.169 0.000 2.343 276 L HA 0.427 4.767 4.340 -0.000 0.000 0.278 276 L C -1.492 175.412 176.870 0.056 0.000 0.996 276 L CA -0.154 54.791 54.840 0.174 0.000 0.831 276 L CB 1.477 43.656 42.059 0.200 0.000 1.232 276 L HN 0.604 nan 8.230 nan 0.000 0.413 277 D N 5.263 125.683 120.400 0.033 0.000 2.339 277 D HA 0.195 4.835 4.640 -0.000 0.000 0.241 277 D C -0.254 175.820 176.300 -0.377 0.000 1.183 277 D CA -0.008 53.919 54.000 -0.122 0.000 0.859 277 D CB 0.944 41.777 40.800 0.054 0.000 1.067 277 D HN 0.467 nan 8.370 nan 0.000 0.484 278 K N 1.856 122.014 120.400 -0.404 0.000 2.154 278 K HA 0.534 4.854 4.320 -0.000 0.000 0.264 278 K C -0.265 175.922 176.600 -0.690 0.000 1.008 278 K CA -0.200 55.876 56.287 -0.353 0.000 0.937 278 K CB 1.139 33.558 32.500 -0.135 0.000 1.002 278 K HN 0.261 nan 8.250 nan 0.000 0.469 279 F N -1.308 118.699 119.950 0.096 0.000 2.664 279 F HA 0.145 4.672 4.527 -0.000 0.000 0.317 279 F C 1.261 177.119 175.800 0.096 0.000 1.108 279 F CA -1.048 57.009 58.000 0.095 0.000 0.957 279 F CB 1.827 40.853 39.000 0.043 0.000 1.365 279 F HN 0.585 nan 8.300 nan 0.000 0.475 280 T N -3.493 111.261 114.554 0.332 0.000 3.148 280 T HA 0.017 4.367 4.350 -0.000 0.000 0.253 280 T C 0.150 174.952 174.700 0.170 0.000 1.134 280 T CA 0.958 63.192 62.100 0.223 0.000 1.051 280 T CB -0.441 68.563 68.868 0.226 0.000 0.959 280 T HN 0.711 nan 8.240 nan 0.000 0.525 281 D N -1.335 119.175 120.400 0.183 0.000 2.567 281 D HA 0.332 4.972 4.640 -0.000 0.000 0.268 281 D C 0.737 177.122 176.300 0.142 0.000 1.448 281 D CA -0.066 54.008 54.000 0.124 0.000 0.811 281 D CB 0.361 41.202 40.800 0.068 0.000 1.192 281 D HN 0.514 nan 8.370 nan 0.000 0.488 282 G N -0.655 108.267 108.800 0.204 0.000 2.404 282 G HA2 0.514 4.474 3.960 -0.000 0.000 0.253 282 G HA3 0.514 4.474 3.960 -0.000 0.000 0.253 282 G C -0.984 174.099 174.900 0.306 0.000 1.253 282 G CA -0.024 45.202 45.100 0.209 0.000 0.917 282 G HN 0.726 nan 8.290 nan 0.000 0.480 283 G N -1.626 107.354 108.800 0.300 0.000 2.387 283 G HA2 0.619 4.579 3.960 -0.000 0.000 0.294 283 G HA3 0.619 4.579 3.960 -0.000 0.000 0.294 283 G C -2.412 172.655 174.900 0.278 0.000 1.509 283 G CA -0.096 45.213 45.100 0.348 0.000 0.806 283 G HN 1.528 nan 8.290 nan 0.000 0.546 284 L N 0.602 121.984 121.223 0.265 0.000 2.381 284 L HA 0.819 5.159 4.340 -0.000 0.000 0.274 284 L C -1.217 175.706 176.870 0.087 0.000 0.988 284 L CA -0.966 53.947 54.840 0.122 0.000 0.824 284 L CB 1.636 43.675 42.059 -0.033 0.000 1.263 284 L HN 0.590 nan 8.230 nan 0.000 0.410 285 F N 4.389 124.281 119.950 -0.097 0.000 2.411 285 F HA 0.660 5.187 4.527 -0.000 0.000 0.355 285 F C -0.015 175.741 175.800 -0.073 0.000 1.117 285 F CA -0.264 57.710 58.000 -0.043 0.000 1.139 285 F CB 0.981 39.989 39.000 0.015 0.000 1.120 285 F HN 0.604 nan 8.300 nan 0.000 0.493 286 T N 5.558 119.625 114.554 -0.812 0.000 2.829 286 T HA 0.640 4.990 4.350 -0.000 0.000 0.280 286 T C -1.164 172.852 174.700 -1.140 0.000 0.999 286 T CA -0.816 60.757 62.100 -0.878 0.000 0.983 286 T CB 1.692 70.282 68.868 -0.463 0.000 0.968 286 T HN 0.829 nan 8.240 nan 0.000 0.446 287 L N 3.177 123.729 121.223 -1.119 0.000 2.406 287 L HA 0.747 5.086 4.340 -0.000 0.000 0.272 287 L C -1.941 174.485 176.870 -0.740 0.000 0.980 287 L CA -0.992 53.408 54.840 -0.733 0.000 0.831 287 L CB 0.999 42.795 42.059 -0.438 0.000 1.253 287 L HN 0.740 nan 8.230 nan 0.000 0.406 288 F N 4.473 124.349 119.950 -0.124 0.000 2.482 288 F HA 0.567 5.094 4.527 -0.000 0.000 0.331 288 F C -0.153 175.610 175.800 -0.063 0.000 1.115 288 F CA -0.904 57.041 58.000 -0.091 0.000 0.955 288 F CB 2.091 41.035 39.000 -0.093 0.000 1.136 288 F HN 0.020 nan 8.300 nan 0.000 0.452 289 V N 4.320 124.302 119.914 0.113 0.000 2.284 289 V HA 0.424 4.543 4.120 -0.000 0.000 0.274 289 V C -0.234 175.893 176.094 0.054 0.000 1.023 289 V CA -0.657 61.681 62.300 0.063 0.000 0.808 289 V CB 1.059 32.904 31.823 0.038 0.000 1.035 289 V HN 0.724 nan 8.190 nan 0.000 0.445 290 R N 2.749 123.272 120.500 0.039 0.000 2.514 290 R HA 0.614 4.954 4.340 -0.000 0.000 0.301 290 R C -0.654 175.649 176.300 0.005 0.000 0.962 290 R CA -0.206 55.898 56.100 0.007 0.000 0.882 290 R CB 1.999 32.284 30.300 -0.024 0.000 1.143 290 R HN 0.774 nan 8.270 nan 0.000 0.452 291 D N 0.932 121.334 120.400 0.004 0.000 3.171 291 D HA 0.131 4.771 4.640 -0.000 0.000 0.125 291 D C 0.202 176.509 176.300 0.012 0.000 1.374 291 D CA 0.033 54.038 54.000 0.008 0.000 1.496 291 D CB 0.586 41.394 40.800 0.013 0.000 1.853 291 D HN 0.482 nan 8.370 nan 0.000 0.273 292 Q N -0.823 118.988 119.800 0.017 0.000 1.958 292 Q HA 0.147 4.487 4.340 -0.000 0.000 0.154 292 Q C -1.141 174.875 176.000 0.026 0.000 0.549 292 Q CA -0.297 55.519 55.803 0.022 0.000 0.824 292 Q CB 0.579 29.327 28.738 0.017 0.000 1.031 292 Q HN 0.522 nan 8.270 nan 0.000 0.312 293 D N 0.662 121.075 120.400 0.022 0.000 2.210 293 D HA 0.058 4.698 4.640 -0.000 0.000 0.249 293 D C 0.447 176.762 176.300 0.025 0.000 1.078 293 D CA 0.420 54.433 54.000 0.023 0.000 0.875 293 D CB 1.901 42.713 40.800 0.019 0.000 1.175 293 D HN 0.337 nan 8.370 nan 0.000 0.440 294 S N 2.050 117.767 115.700 0.028 0.000 2.440 294 S HA -0.179 4.291 4.470 -0.000 0.000 0.238 294 S C 1.935 176.554 174.600 0.032 0.000 1.010 294 S CA 0.741 58.959 58.200 0.031 0.000 0.972 294 S CB -0.351 62.868 63.200 0.032 0.000 0.774 294 S HN 0.668 nan 8.310 nan 0.000 0.501 295 A N 1.559 124.396 122.820 0.028 0.000 1.873 295 A HA 0.084 4.404 4.320 -0.000 0.000 0.215 295 A C 2.288 179.887 177.584 0.025 0.000 1.186 295 A CA 1.537 53.590 52.037 0.027 0.000 0.616 295 A CB -0.840 18.174 19.000 0.023 0.000 0.823 295 A HN 0.446 nan 8.150 nan 0.000 0.442 296 V N -0.288 119.639 119.914 0.022 0.000 3.217 296 V HA -0.100 4.019 4.120 -0.000 0.000 0.264 296 V C 2.290 178.397 176.094 0.022 0.000 1.135 296 V CA 1.309 63.620 62.300 0.019 0.000 1.142 296 V CB -0.135 31.698 31.823 0.015 0.000 0.754 296 V HN 0.348 nan 8.190 nan 0.000 0.484 297 V N -0.512 119.418 119.914 0.026 0.000 2.446 297 V HA -0.135 3.985 4.120 -0.000 0.000 0.244 297 V C 2.470 178.587 176.094 0.040 0.000 1.039 297 V CA 1.907 64.225 62.300 0.032 0.000 1.045 297 V CB -0.319 31.524 31.823 0.033 0.000 0.681 297 V HN 0.534 nan 8.190 nan 0.000 0.459 298 S N 0.403 116.129 115.700 0.042 0.000 2.344 298 S HA -0.214 4.256 4.470 -0.000 0.000 0.217 298 S C 2.263 176.881 174.600 0.031 0.000 1.033 298 S CA 1.903 60.131 58.200 0.046 0.000 1.017 298 S CB -0.484 62.744 63.200 0.048 0.000 0.941 298 S HN 0.539 nan 8.310 nan 0.000 0.430 299 S N 1.990 117.705 115.700 0.025 0.000 2.392 299 S HA -0.152 4.317 4.470 -0.000 0.000 0.232 299 S C 1.605 176.213 174.600 0.013 0.000 1.041 299 S CA 1.413 59.624 58.200 0.018 0.000 1.026 299 S CB -0.599 62.611 63.200 0.016 0.000 0.845 299 S HN 0.431 nan 8.310 nan 0.000 0.465 300 N N 0.426 119.135 118.700 0.015 0.000 2.512 300 N HA 0.162 4.902 4.740 -0.000 0.000 0.183 300 N C 1.323 176.837 175.510 0.007 0.000 1.073 300 N CA 0.393 53.450 53.050 0.011 0.000 0.911 300 N CB 0.014 38.508 38.487 0.013 0.000 0.964 300 N HN 0.431 nan 8.380 nan 0.000 0.447 301 I N -0.770 119.805 120.570 0.008 0.000 3.939 301 I HA 0.066 4.236 4.170 -0.000 0.000 0.313 301 I C 1.750 177.849 176.117 -0.030 0.000 1.274 301 I CA 0.185 61.480 61.300 -0.008 0.000 1.301 301 I CB 0.321 38.332 38.000 0.018 0.000 1.105 301 I HN -0.111 nan 8.210 nan 0.000 0.427 302 K N 1.172 121.563 120.400 -0.016 0.000 2.211 302 K HA -0.206 4.114 4.320 -0.000 0.000 0.203 302 K C 2.081 178.675 176.600 -0.009 0.000 1.050 302 K CA 1.261 57.538 56.287 -0.018 0.000 0.945 302 K CB 0.144 32.644 32.500 -0.002 0.000 0.732 302 K HN 0.165 nan 8.250 nan 0.000 0.451 303 K N 0.355 120.753 120.400 -0.004 0.000 2.067 303 K HA -0.020 4.299 4.320 -0.000 0.000 0.203 303 K C 1.910 178.511 176.600 0.002 0.000 1.048 303 K CA 0.564 56.852 56.287 0.002 0.000 0.954 303 K CB 0.085 32.587 32.500 0.005 0.000 0.737 303 K HN -0.022 nan 8.250 nan 0.000 0.444 304 I N 1.756 122.323 120.570 -0.004 0.000 2.145 304 I HA -0.267 3.903 4.170 -0.000 0.000 0.244 304 I C 2.324 178.439 176.117 -0.002 0.000 1.075 304 I CA 1.292 62.592 61.300 0.000 0.000 1.332 304 I CB -0.876 37.117 38.000 -0.011 0.000 1.033 304 I HN 0.067 nan 8.210 nan 0.000 0.410 305 V N 1.014 120.906 119.914 -0.036 0.000 2.427 305 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 305 V C 2.765 178.869 176.094 0.017 0.000 1.051 305 V CA 1.540 63.815 62.300 -0.040 0.000 1.048 305 V CB -1.045 30.725 31.823 -0.088 0.000 0.666 305 V HN 0.449 nan 8.190 nan 0.000 0.456 306 A N 0.288 123.115 122.820 0.012 0.000 1.858 306 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 306 A C 1.956 179.552 177.584 0.019 0.000 1.190 306 A CA 2.151 54.199 52.037 0.018 0.000 0.617 306 A CB -0.696 18.312 19.000 0.012 0.000 0.827 306 A HN 0.514 nan 8.150 nan 0.000 0.443 307 D N -0.246 120.167 120.400 0.022 0.000 2.219 307 D HA -0.029 4.610 4.640 -0.000 0.000 0.205 307 D C 1.718 178.040 176.300 0.038 0.000 0.970 307 D CA 0.667 54.685 54.000 0.029 0.000 0.851 307 D CB -0.177 40.645 40.800 0.036 0.000 0.943 307 D HN 0.443 nan 8.370 nan 0.000 0.488 308 L N -0.068 121.183 121.223 0.045 0.000 2.418 308 L HA 0.042 4.381 4.340 -0.000 0.000 0.218 308 L C 2.183 179.036 176.870 -0.029 0.000 1.125 308 L CA 0.466 55.335 54.840 0.048 0.000 0.835 308 L CB 0.012 42.139 42.059 0.113 0.000 0.953 308 L HN -0.090 nan 8.230 nan 0.000 0.454 309 K N 0.768 121.165 120.400 -0.004 0.000 2.155 309 K HA -0.126 4.194 4.320 -0.000 0.000 0.203 309 K C 1.272 177.845 176.600 -0.046 0.000 1.052 309 K CA 0.737 57.014 56.287 -0.017 0.000 0.948 309 K CB 0.217 32.729 32.500 0.021 0.000 0.728 309 K HN -0.033 nan 8.250 nan 0.000 0.448 310 K N 1.314 121.696 120.400 -0.029 0.000 2.333 310 K HA 0.069 4.389 4.320 -0.000 0.000 0.241 310 K C -0.514 176.060 176.600 -0.044 0.000 1.193 310 K CA -0.271 55.998 56.287 -0.030 0.000 1.142 310 K CB 0.005 32.500 32.500 -0.009 0.000 1.731 310 K HN 0.144 nan 8.250 nan 0.000 0.344 311 G N 3.416 112.160 108.800 -0.093 0.000 2.351 311 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.231 311 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.231 311 G C -0.647 174.219 174.900 -0.056 0.000 1.163 311 G CA 0.204 45.230 45.100 -0.125 0.000 0.861 311 G HN 0.745 nan 8.290 nan 0.000 0.500 312 K N 0.939 121.323 120.400 -0.027 0.000 2.578 312 K HA 0.588 4.908 4.320 -0.000 0.000 0.269 312 K C -1.051 175.526 176.600 -0.040 0.000 0.941 312 K CA -0.981 55.299 56.287 -0.011 0.000 0.847 312 K CB 2.153 34.670 32.500 0.030 0.000 1.397 312 K HN 0.391 nan 8.250 nan 0.000 0.422 313 D N 0.948 121.290 120.400 -0.097 0.000 2.245 313 D HA 0.082 4.722 4.640 -0.000 0.000 0.083 313 D C 0.644 176.822 176.300 -0.203 0.000 1.462 313 D CA 0.384 54.258 54.000 -0.210 0.000 1.234 313 D CB 0.515 41.229 40.800 -0.144 0.000 2.638 313 D HN 0.467 nan 8.370 nan 0.000 0.203 314 L N 0.865 122.014 121.223 -0.123 0.000 5.308 314 L HA -0.306 4.034 4.340 -0.000 0.000 0.421 314 L C 0.485 177.296 176.870 -0.098 0.000 0.927 314 L CA 2.021 56.807 54.840 -0.090 0.000 1.529 314 L CB -2.508 39.510 42.059 -0.068 0.000 1.599 314 L HN 0.753 nan 8.230 nan 0.000 0.629 315 S N -2.504 113.101 115.700 -0.158 0.000 3.559 315 S HA -0.143 4.327 4.470 -0.000 0.000 0.369 315 S C -0.910 173.656 174.600 -0.058 0.000 0.987 315 S CA 0.694 58.814 58.200 -0.133 0.000 1.187 315 S CB -1.642 61.508 63.200 -0.083 0.000 0.914 315 S HN 0.442 nan 8.310 nan 0.000 0.480 316 P HA 0.183 nan 4.420 nan 0.000 0.234 316 P C 1.678 179.002 177.300 0.040 0.000 1.167 316 P CA 1.095 64.192 63.100 -0.004 0.000 0.763 316 P CB -0.229 31.469 31.700 -0.004 0.000 0.835 317 A N -0.369 122.491 122.820 0.067 0.000 1.969 317 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 317 A C 1.200 178.931 177.584 0.245 0.000 1.169 317 A CA 0.499 52.657 52.037 0.200 0.000 0.635 317 A CB -1.146 17.996 19.000 0.238 0.000 0.810 317 A HN 0.122 nan 8.150 nan 0.000 0.445 318 I N 0.390 121.051 120.570 0.152 0.000 2.872 318 I HA -0.091 4.079 4.170 -0.000 0.000 0.291 318 I C -0.020 176.228 176.117 0.218 0.000 1.216 318 I CA 0.313 61.727 61.300 0.189 0.000 1.424 318 I CB -0.026 38.061 38.000 0.145 0.000 1.351 318 I HN 0.397 nan 8.210 nan 0.000 0.592 319 N N 4.793 123.653 118.700 0.266 0.000 2.771 319 N HA -0.277 4.463 4.740 -0.000 0.000 0.249 319 N C -0.437 175.216 175.510 0.239 0.000 1.069 319 N CA 1.436 54.624 53.050 0.231 0.000 0.688 319 N CB -1.114 37.486 38.487 0.188 0.000 0.928 319 N HN 0.908 nan 8.380 nan 0.000 0.551 320 Y N -2.595 117.740 120.300 0.059 0.000 2.744 320 Y HA -0.058 4.492 4.550 -0.000 0.000 0.287 320 Y C 1.547 177.463 175.900 0.026 0.000 0.926 320 Y CA 0.782 58.905 58.100 0.038 0.000 1.131 320 Y CB -0.482 38.007 38.460 0.049 0.000 1.372 320 Y HN 0.022 nan 8.280 nan 0.000 0.519 321 T N 0.595 115.149 114.554 0.000 0.000 3.051 321 T HA -0.009 4.340 4.350 -0.000 0.000 0.269 321 T C 1.080 175.701 174.700 -0.132 0.000 1.127 321 T CA 1.845 63.892 62.100 -0.088 0.000 1.107 321 T CB -0.181 68.737 68.868 0.083 0.000 0.898 321 T HN 0.178 nan 8.240 nan 0.000 0.517 322 K N 0.406 120.732 120.400 -0.123 0.000 2.387 322 K HA 0.393 4.713 4.320 -0.000 0.000 0.203 322 K C 1.123 177.606 176.600 -0.195 0.000 1.030 322 K CA -0.139 56.016 56.287 -0.220 0.000 1.099 322 K CB 0.258 32.506 32.500 -0.419 0.000 0.863 322 K HN 0.227 nan 8.250 nan 0.000 0.529 323 L N -0.525 120.592 121.223 -0.176 0.000 2.470 323 L HA 0.201 4.540 4.340 -0.000 0.000 0.219 323 L C 1.158 177.916 176.870 -0.187 0.000 1.071 323 L CA 1.153 55.906 54.840 -0.145 0.000 0.850 323 L CB 0.197 42.201 42.059 -0.092 0.000 1.040 323 L HN -0.064 nan 8.230 nan 0.000 0.475 324 K N 0.501 120.735 120.400 -0.278 0.000 2.186 324 K HA 0.040 4.360 4.320 -0.000 0.000 0.202 324 K C 1.557 178.060 176.600 -0.162 0.000 1.052 324 K CA 0.883 57.022 56.287 -0.247 0.000 0.965 324 K CB -0.031 32.265 32.500 -0.341 0.000 0.746 324 K HN 0.291 nan 8.250 nan 0.000 0.457 325 N N -0.522 118.081 118.700 -0.161 0.000 2.370 325 N HA 0.058 4.798 4.740 -0.000 0.000 0.198 325 N C 0.427 175.862 175.510 -0.126 0.000 1.156 325 N CA 0.216 53.189 53.050 -0.128 0.000 0.839 325 N CB 0.471 38.880 38.487 -0.129 0.000 0.989 325 N HN 0.156 nan 8.380 nan 0.000 0.468 326 A N -0.105 122.640 122.820 -0.125 0.000 1.944 326 A HA 0.017 4.337 4.320 -0.000 0.000 0.207 326 A C 2.099 179.635 177.584 -0.080 0.000 1.265 326 A CA 0.258 52.232 52.037 -0.106 0.000 0.712 326 A CB -0.378 18.559 19.000 -0.105 0.000 0.915 326 A HN 0.159 nan 8.150 nan 0.000 0.470 327 V N -1.825 118.042 119.914 -0.078 0.000 2.667 327 V HA -0.122 3.998 4.120 -0.000 0.000 0.252 327 V C 1.850 177.909 176.094 -0.058 0.000 1.065 327 V CA 1.999 64.262 62.300 -0.062 0.000 1.083 327 V CB -1.057 30.732 31.823 -0.058 0.000 0.692 327 V HN 0.586 nan 8.190 nan 0.000 0.468 328 Q N 0.897 120.658 119.800 -0.066 0.000 2.329 328 Q HA 0.106 4.446 4.340 -0.000 0.000 0.208 328 Q C -0.344 175.622 176.000 -0.056 0.000 0.934 328 Q CA -0.065 55.704 55.803 -0.058 0.000 0.951 328 Q CB -0.053 28.650 28.738 -0.060 0.000 1.017 328 Q HN 0.641 nan 8.270 nan 0.000 0.490 329 N N 0.939 119.605 118.700 -0.056 0.000 2.524 329 N HA 0.098 4.838 4.740 -0.000 0.000 0.261 329 N C -0.687 174.796 175.510 -0.046 0.000 0.998 329 N CA -0.063 52.956 53.050 -0.052 0.000 0.915 329 N CB 1.553 40.006 38.487 -0.057 0.000 1.187 329 N HN 0.328 nan 8.380 nan 0.000 0.507 330 E N -1.317 118.857 120.200 -0.043 0.000 2.318 330 E HA 0.102 4.452 4.350 -0.000 0.000 0.180 330 E C -0.572 176.003 176.600 -0.041 0.000 0.931 330 E CA -0.147 56.229 56.400 -0.040 0.000 1.396 330 E CB -0.265 29.410 29.700 -0.043 0.000 2.229 330 E HN 0.052 nan 8.360 nan 0.000 0.855 331 S N 1.944 117.617 115.700 -0.045 0.000 2.994 331 S HA 0.219 4.689 4.470 -0.000 0.000 0.247 331 S C 0.503 175.073 174.600 -0.049 0.000 1.323 331 S CA 0.162 58.330 58.200 -0.053 0.000 1.246 331 S CB 0.008 63.168 63.200 -0.067 0.000 0.994 331 S HN 0.921 nan 8.310 nan 0.000 0.484 332 V N 0.043 119.938 119.914 -0.032 0.000 5.678 332 V HA -0.183 3.937 4.120 -0.000 0.000 0.205 332 V C -0.180 175.909 176.094 -0.008 0.000 0.703 332 V CA 0.394 62.684 62.300 -0.016 0.000 0.545 332 V CB -2.729 29.090 31.823 -0.006 0.000 0.202 332 V HN 0.799 nan 8.190 nan 0.000 0.481 333 S N 0.387 116.082 115.700 -0.008 0.000 2.583 333 S HA 0.779 5.249 4.470 -0.000 0.000 0.294 333 S C -0.440 174.158 174.600 -0.003 0.000 1.121 333 S CA 0.006 58.209 58.200 0.006 0.000 0.910 333 S CB 1.508 64.713 63.200 0.007 0.000 1.102 333 S HN 2.355 nan 8.310 nan 0.000 0.451 334 S N 1.280 116.984 115.700 0.006 0.000 2.680 334 S HA 0.452 4.922 4.470 -0.000 0.000 0.153 334 S C -1.396 173.208 174.600 0.006 0.000 1.224 334 S CA -0.682 57.515 58.200 -0.006 0.000 1.197 334 S CB -0.339 62.851 63.200 -0.016 0.000 1.634 334 S HN 0.751 nan 8.310 nan 0.000 0.422 335 P HA 0.274 nan 4.420 nan 0.000 0.298 335 P C 1.764 179.078 177.300 0.024 0.000 1.404 335 P CA -0.092 63.026 63.100 0.030 0.000 0.795 335 P CB -0.437 31.289 31.700 0.044 0.000 1.842 336 I N -2.461 118.129 120.570 0.034 0.000 4.905 336 I HA -0.476 3.694 4.170 -0.000 0.000 0.039 336 I C 1.041 177.185 176.117 0.045 0.000 0.635 336 I CA 1.538 62.862 61.300 0.039 0.000 0.287 336 I CB -1.892 36.128 38.000 0.033 0.000 0.361 336 I HN 0.564 nan 8.210 nan 0.000 0.167 337 E N -1.019 119.202 120.200 0.034 0.000 3.582 337 E HA -0.327 4.023 4.350 -0.000 0.000 0.231 337 E C 0.782 177.509 176.600 0.211 0.000 1.450 337 E CA 0.976 57.412 56.400 0.060 0.000 2.201 337 E CB -0.851 28.847 29.700 -0.004 0.000 2.094 337 E HN 0.749 nan 8.360 nan 0.000 0.494 338 L N -1.032 120.403 121.223 0.353 0.000 3.445 338 L HA -0.386 3.954 4.340 -0.000 0.000 0.349 338 L C 1.082 178.061 176.870 0.181 0.000 4.406 338 L CA 2.233 57.220 54.840 0.246 0.000 0.588 338 L CB -0.854 41.281 42.059 0.125 0.000 3.515 338 L HN 0.588 nan 8.230 nan 0.000 0.667 339 N N 0.267 119.063 118.700 0.159 0.000 3.210 339 N HA 0.197 4.937 4.740 -0.000 0.000 0.314 339 N C -0.846 174.768 175.510 0.174 0.000 1.291 339 N CA 0.155 53.269 53.050 0.107 0.000 1.202 339 N CB -0.184 38.351 38.487 0.079 0.000 1.475 339 N HN 0.273 nan 8.380 nan 0.000 0.554 340 F N -0.802 119.146 119.950 -0.003 0.000 2.607 340 F HA 0.310 4.837 4.527 -0.000 0.000 0.322 340 F C -0.349 175.450 175.800 -0.002 0.000 1.176 340 F CA -0.895 57.102 58.000 -0.004 0.000 0.977 340 F CB 1.089 40.088 39.000 -0.001 0.000 1.242 340 F HN -0.036 nan 8.300 nan 0.000 0.465 341 D N 2.129 122.336 120.400 -0.321 0.000 3.103 341 D HA -0.164 4.476 4.640 -0.000 0.000 0.211 341 D C 0.195 176.370 176.300 -0.209 0.000 1.100 341 D CA 1.215 54.991 54.000 -0.373 0.000 0.961 341 D CB -0.958 39.444 40.800 -0.663 0.000 1.093 341 D HN 0.883 nan 8.370 nan 0.000 0.427 342 A N -0.468 122.283 122.820 -0.116 0.000 3.251 342 A HA 0.667 4.986 4.320 -0.000 0.000 0.194 342 A C 0.506 178.069 177.584 -0.036 0.000 1.365 342 A CA 0.307 52.307 52.037 -0.060 0.000 1.543 342 A CB -0.362 18.623 19.000 -0.026 0.000 1.626 342 A HN 0.489 nan 8.150 nan 0.000 0.563 343 V N -0.271 119.634 119.914 -0.015 0.000 2.681 343 V HA 0.284 4.404 4.120 -0.000 0.000 0.306 343 V C -0.181 175.896 176.094 -0.029 0.000 1.077 343 V CA 1.045 63.336 62.300 -0.016 0.000 1.224 343 V CB -0.573 31.248 31.823 -0.004 0.000 0.879 343 V HN 0.777 nan 8.190 nan 0.000 0.494 344 K N 0.858 121.236 120.400 -0.036 0.000 3.365 344 K HA 0.614 4.934 4.320 -0.000 0.000 0.187 344 K C -0.926 175.642 176.600 -0.053 0.000 1.062 344 K CA -0.441 55.814 56.287 -0.054 0.000 0.882 344 K CB 0.664 33.132 32.500 -0.053 0.000 0.750 344 K HN 0.751 nan 8.250 nan 0.000 0.479 345 D N 0.749 121.130 120.400 -0.032 0.000 2.937 345 D HA 0.420 5.060 4.640 -0.000 0.000 0.215 345 D C -2.012 174.322 176.300 0.056 0.000 1.274 345 D CA -0.374 53.617 54.000 -0.014 0.000 0.869 345 D CB 1.450 42.237 40.800 -0.021 0.000 1.675 345 D HN 0.228 nan 8.370 nan 0.000 0.538 346 F N 4.027 123.888 119.950 -0.148 0.000 2.573 346 F HA 0.450 4.976 4.527 -0.000 0.000 0.316 346 F C -0.499 175.231 175.800 -0.117 0.000 1.148 346 F CA -0.726 57.171 58.000 -0.171 0.000 0.940 346 F CB 1.095 39.944 39.000 -0.250 0.000 1.214 346 F HN 0.228 nan 8.300 nan 0.000 0.448 347 K N 4.592 124.466 120.400 -0.877 0.000 2.580 347 K HA 0.649 4.969 4.320 -0.000 0.000 0.287 347 K C -1.824 174.044 176.600 -1.220 0.000 1.005 347 K CA -0.676 55.177 56.287 -0.723 0.000 1.200 347 K CB 0.862 33.144 32.500 -0.364 0.000 1.568 347 K HN 0.768 nan 8.250 nan 0.000 0.685 348 L N 0.536 121.413 121.223 -0.577 0.000 2.628 348 L HA 0.341 4.681 4.340 -0.000 0.000 0.258 348 L C 0.114 176.956 176.870 -0.047 0.000 1.027 348 L CA -0.200 54.448 54.840 -0.320 0.000 0.910 348 L CB 1.266 43.249 42.059 -0.127 0.000 1.157 348 L HN 0.879 nan 8.230 nan 0.000 0.452 349 G N 2.591 111.395 108.800 0.007 0.000 2.751 349 G HA2 0.102 4.062 3.960 -0.000 0.000 0.142 349 G HA3 0.102 4.062 3.960 -0.000 0.000 0.142 349 G C -0.157 174.762 174.900 0.033 0.000 1.783 349 G CA -0.226 44.890 45.100 0.026 0.000 1.018 349 G HN 0.456 nan 8.290 nan 0.000 0.474 350 K N -0.426 119.970 120.400 -0.007 0.000 2.106 350 K HA 0.561 4.881 4.320 -0.000 0.000 0.246 350 K C -0.879 175.709 176.600 -0.020 0.000 0.987 350 K CA -0.292 55.893 56.287 -0.170 0.000 0.904 350 K CB 1.432 33.837 32.500 -0.158 0.000 1.071 350 K HN 0.435 nan 8.250 nan 0.000 0.453 351 F N -2.007 117.980 119.950 0.062 0.000 2.923 351 F HA 0.481 5.008 4.527 -0.000 0.000 0.323 351 F C -1.097 174.737 175.800 0.056 0.000 1.189 351 F CA -1.337 56.702 58.000 0.064 0.000 0.930 351 F CB 0.814 39.872 39.000 0.098 0.000 1.414 351 F HN 0.213 nan 8.300 nan 0.000 0.496 352 N N -0.047 118.907 118.700 0.422 0.000 2.284 352 N HA 0.313 5.053 4.740 -0.000 0.000 0.300 352 N C -2.240 173.497 175.510 0.378 0.000 1.047 352 N CA -0.352 52.869 53.050 0.285 0.000 0.821 352 N CB 2.530 41.075 38.487 0.096 0.000 1.337 352 N HN 0.765 nan 8.380 nan 0.000 0.482 353 Y N 1.484 121.895 120.300 0.186 0.000 2.409 353 Y HA 0.543 5.093 4.550 -0.000 0.000 0.343 353 Y C -0.776 175.150 175.900 0.043 0.000 0.973 353 Y CA -0.871 57.298 58.100 0.115 0.000 1.064 353 Y CB 1.120 39.692 38.460 0.188 0.000 1.207 353 Y HN 0.267 nan 8.280 nan 0.000 0.452 354 V N 2.278 121.843 119.914 -0.581 0.000 2.638 354 V HA 0.981 5.101 4.120 -0.000 0.000 0.306 354 V C -1.041 174.581 176.094 -0.786 0.000 1.052 354 V CA -0.742 61.234 62.300 -0.540 0.000 0.885 354 V CB 1.164 32.853 31.823 -0.224 0.000 0.999 354 V HN 1.154 nan 8.190 nan 0.000 0.424 355 A N 4.358 126.805 122.820 -0.621 0.000 2.323 355 A HA 0.833 5.153 4.320 -0.000 0.000 0.305 355 A C -0.635 176.815 177.584 -0.224 0.000 1.275 355 A CA -0.582 51.196 52.037 -0.432 0.000 0.804 355 A CB 1.211 19.987 19.000 -0.374 0.000 1.152 355 A HN 1.233 nan 8.150 nan 0.000 0.487 356 V N 2.738 122.551 119.914 -0.168 0.000 2.435 356 V HA 0.839 4.959 4.120 -0.000 0.000 0.290 356 V C 0.960 177.014 176.094 -0.067 0.000 1.030 356 V CA 0.930 63.156 62.300 -0.124 0.000 0.881 356 V CB 0.597 32.303 31.823 -0.195 0.000 0.983 356 V HN 1.859 nan 8.190 nan 0.000 0.445 357 G N 4.436 113.256 108.800 0.033 0.000 2.390 357 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.202 357 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.202 357 G C -0.432 174.513 174.900 0.076 0.000 1.210 357 G CA -0.091 45.079 45.100 0.117 0.000 1.271 357 G HN 0.655 nan 8.290 nan 0.000 0.543 358 D N 1.539 121.970 120.400 0.053 0.000 2.441 358 D HA 0.382 5.022 4.640 -0.000 0.000 0.243 358 D C 1.678 177.985 176.300 0.012 0.000 1.257 358 D CA 0.598 54.619 54.000 0.034 0.000 1.027 358 D CB 0.848 41.668 40.800 0.034 0.000 1.084 358 D HN 0.292 nan 8.370 nan 0.000 0.514 359 V N 2.997 122.912 119.914 0.002 0.000 2.295 359 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 359 V C 1.993 178.072 176.094 -0.025 0.000 1.049 359 V CA 1.779 64.058 62.300 -0.035 0.000 1.024 359 V CB -0.097 31.706 31.823 -0.032 0.000 0.648 359 V HN 0.491 nan 8.190 nan 0.000 0.447 360 S N -0.076 115.637 115.700 0.023 0.000 2.660 360 S HA 0.026 4.496 4.470 -0.000 0.000 0.228 360 S C 1.151 175.793 174.600 0.070 0.000 0.966 360 S CA 0.358 58.596 58.200 0.064 0.000 0.940 360 S CB -0.387 62.852 63.200 0.065 0.000 0.773 360 S HN 0.620 nan 8.310 nan 0.000 0.535 361 N N 0.662 119.390 118.700 0.047 0.000 2.377 361 N HA 0.254 4.993 4.740 -0.000 0.000 0.259 361 N C -1.413 174.127 175.510 0.049 0.000 1.332 361 N CA 0.034 53.115 53.050 0.052 0.000 0.877 361 N CB 0.654 39.166 38.487 0.041 0.000 1.299 361 N HN 0.160 nan 8.380 nan 0.000 0.501 362 L N 1.088 122.334 121.223 0.038 0.000 2.370 362 L HA 0.594 4.933 4.340 -0.000 0.000 0.266 362 L C -2.272 174.638 176.870 0.066 0.000 1.002 362 L CA -1.904 52.963 54.840 0.044 0.000 0.818 362 L CB 1.880 43.945 42.059 0.009 0.000 1.325 362 L HN -0.096 nan 8.230 nan 0.000 0.418 363 P HA 0.159 nan 4.420 nan 0.000 0.269 363 P C -1.157 176.269 177.300 0.210 0.000 1.215 363 P CA 0.236 63.433 63.100 0.161 0.000 0.780 363 P CB 0.352 32.091 31.700 0.065 0.000 0.898 364 Y N 0.064 120.435 120.300 0.117 0.000 2.645 364 Y HA 0.259 4.809 4.550 -0.000 0.000 0.341 364 Y C 1.474 177.386 175.900 0.020 0.000 1.234 364 Y CA -0.695 57.510 58.100 0.175 0.000 1.352 364 Y CB 0.101 38.627 38.460 0.110 0.000 1.556 364 Y HN 0.123 nan 8.280 nan 0.000 0.607 365 L N 0.681 122.075 121.223 0.284 0.000 2.341 365 L HA -0.041 4.299 4.340 -0.000 0.000 0.214 365 L C 1.285 178.199 176.870 0.073 0.000 1.115 365 L CA 1.367 56.278 54.840 0.117 0.000 0.820 365 L CB -0.763 41.403 42.059 0.179 0.000 0.944 365 L HN 0.589 nan 8.230 nan 0.000 0.452 366 D N 0.259 120.720 120.400 0.101 0.000 2.120 366 D HA -0.197 4.443 4.640 -0.000 0.000 0.191 366 D C 1.172 177.488 176.300 0.027 0.000 0.994 366 D CA 1.634 55.658 54.000 0.040 0.000 0.838 366 D CB -0.373 40.431 40.800 0.008 0.000 0.976 366 D HN 0.605 nan 8.370 nan 0.000 0.447 367 E N 1.008 121.233 120.200 0.041 0.000 3.976 367 E HA 0.235 4.584 4.350 -0.000 0.000 0.377 367 E C 0.777 177.382 176.600 0.008 0.000 1.526 367 E CA -0.532 55.883 56.400 0.026 0.000 2.100 367 E CB 0.461 30.188 29.700 0.043 0.000 1.275 367 E HN 0.117 nan 8.360 nan 0.000 0.764 368 L N 0.000 121.220 121.223 -0.005 0.000 2.949 368 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 368 L CA 0.000 54.834 54.840 -0.011 0.000 0.813 368 L CB 0.000 42.020 42.059 -0.065 0.000 0.961 368 L HN 0.000 nan 8.230 nan 0.000 0.502