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 2o7b_1_H DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HHLASGVGPV LDWTTARAMV DATA SEQUENCE LARLVSIAQG ASGASEGTIA RLIDLLNSEL APAVPSRGTV GXXXDLTPLA DATA SEQUENCE HMVLCLQGRG DFLDRDGTRL DGAEGLRRGR LQPLDLSHRD ALALVNGTSA DATA SEQUENCE MTGIALVNAH ACRHLGNWAV ALTALLAECL RGRTEAWAAA LSDLRPHPGQ DATA SEQUENCE KDAAARLRAR VDGSARVVRH VIAERRLDAG DIGTEPEAGQ DAYSLRCAPQ DATA SEQUENCE VLGAGFDTLA WHDRVLTIEL NAVTDNPVFP PDGSVPALHG GNFMGQHVAL DATA SEQUENCE TSDALATAVT VLAGLAERQI ARLTDERLNR GLPPFLHRGP AGLNSGFMGA DATA SEQUENCE QVTATALLAE MRATGPASIH SISTNAANQD VVSLGTIAAR LCREKIDRWA DATA SEQUENCE EILAILALCL AQAAELRCGS GLDGVSPAGK KLVQALREQF PPLETDRPLG DATA SEQUENCE QEIAALATHL LQQSPV 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.611 176.600 0.018 0.000 0.988 8 K CA 0.000 56.299 56.287 0.020 0.000 0.838 8 K CB 0.000 32.513 32.500 0.022 0.000 1.064 9 P HA 0.061 nan 4.420 nan 0.000 0.266 9 P C -1.500 175.809 177.300 0.015 0.000 1.186 9 P CA -0.088 63.024 63.100 0.020 0.000 0.767 9 P CB 0.669 32.385 31.700 0.026 0.000 0.820 10 A N 2.334 125.161 122.820 0.012 0.000 2.330 10 A HA 0.522 4.842 4.320 0.000 0.000 0.313 10 A C -0.820 176.767 177.584 0.006 0.000 1.124 10 A CA -0.586 51.456 52.037 0.008 0.000 0.774 10 A CB 1.138 20.141 19.000 0.006 0.000 1.198 10 A HN 0.339 nan 8.150 nan 0.000 0.465 11 V N 2.841 122.755 119.914 0.001 0.000 2.333 11 V HA 0.255 4.376 4.120 0.000 0.000 0.274 11 V C 0.350 176.442 176.094 -0.004 0.000 1.028 11 V CA -0.331 61.969 62.300 -0.001 0.000 0.851 11 V CB 1.114 32.932 31.823 -0.008 0.000 1.000 11 V HN 0.954 nan 8.190 nan 0.000 0.456 12 E N 4.718 124.918 120.200 0.001 0.000 2.089 12 E HA 0.329 4.679 4.350 0.000 0.000 0.284 12 E C -0.847 175.752 176.600 -0.001 0.000 1.023 12 E CA -0.766 55.634 56.400 -0.000 0.000 0.819 12 E CB 1.133 30.836 29.700 0.004 0.000 1.076 12 E HN 0.567 nan 8.360 nan 0.000 0.396 13 L N 5.322 126.541 121.223 -0.007 0.000 2.290 13 L HA 0.280 4.620 4.340 0.000 0.000 0.284 13 L C -0.184 176.684 176.870 -0.003 0.000 1.078 13 L CA 0.522 55.356 54.840 -0.010 0.000 0.815 13 L CB 1.290 43.336 42.059 -0.022 0.000 1.162 13 L HN 0.718 nan 8.230 nan 0.000 0.435 14 D N 2.703 123.107 120.400 0.006 0.000 3.074 14 D HA 0.197 4.837 4.640 0.000 0.000 0.227 14 D C 1.333 177.643 176.300 0.016 0.000 1.553 14 D CA 0.695 54.702 54.000 0.011 0.000 1.347 14 D CB 0.708 41.519 40.800 0.019 0.000 1.021 14 D HN 0.581 nan 8.370 nan 0.000 0.260 15 R N -1.696 118.825 120.500 0.035 0.000 2.243 15 R HA 0.214 4.554 4.340 0.000 0.000 0.193 15 R C 0.150 176.497 176.300 0.077 0.000 0.933 15 R CA -0.119 56.009 56.100 0.047 0.000 1.105 15 R CB 0.649 30.980 30.300 0.052 0.000 1.169 15 R HN 0.218 nan 8.270 nan 0.000 0.599 16 H N -0.071 118.992 119.070 -0.011 0.000 2.572 16 H HA 0.566 5.122 4.556 0.000 0.000 0.359 16 H C -1.486 173.836 175.328 -0.010 0.000 1.134 16 H CA -0.683 55.358 56.048 -0.013 0.000 1.187 16 H CB 1.620 31.375 29.762 -0.012 0.000 1.597 16 H HN -0.008 nan 8.280 nan 0.000 0.524 17 I N 4.169 124.384 120.570 -0.591 0.000 2.607 17 I HA 0.244 4.414 4.170 0.000 0.000 0.290 17 I C -1.270 174.574 176.117 -0.455 0.000 1.129 17 I CA -0.832 60.272 61.300 -0.328 0.000 1.042 17 I CB 1.510 39.401 38.000 -0.182 0.000 1.242 17 I HN 0.850 nan 8.210 nan 0.000 0.421 18 D N 6.115 126.422 120.400 -0.155 0.000 2.387 18 D HA 0.222 4.862 4.640 0.000 0.000 0.251 18 D C 1.049 177.328 176.300 -0.034 0.000 1.141 18 D CA -0.577 53.395 54.000 -0.047 0.000 0.987 18 D CB 1.024 41.871 40.800 0.078 0.000 1.116 18 D HN 0.506 nan 8.370 nan 0.000 0.491 19 L N -0.276 120.949 121.223 0.003 0.000 2.042 19 L HA -0.176 4.164 4.340 0.000 0.000 0.210 19 L C 1.522 178.433 176.870 0.068 0.000 1.076 19 L CA 1.513 56.371 54.840 0.030 0.000 0.749 19 L CB -0.502 41.587 42.059 0.050 0.000 0.893 19 L HN 0.456 nan 8.230 nan 0.000 0.432 20 D N -0.281 120.161 120.400 0.070 0.000 2.117 20 D HA -0.177 4.463 4.640 0.000 0.000 0.197 20 D C 2.353 178.700 176.300 0.077 0.000 0.987 20 D CA 1.081 55.139 54.000 0.096 0.000 0.829 20 D CB -0.141 40.707 40.800 0.079 0.000 0.961 20 D HN 0.402 nan 8.370 nan 0.000 0.460 21 Q N 0.371 120.195 119.800 0.041 0.000 2.050 21 Q HA -0.087 4.253 4.340 0.000 0.000 0.202 21 Q C 2.265 178.266 176.000 0.001 0.000 0.980 21 Q CA 1.420 57.234 55.803 0.019 0.000 0.840 21 Q CB -0.159 28.579 28.738 0.001 0.000 0.898 21 Q HN 0.216 nan 8.270 nan 0.000 0.424 22 A N 1.105 123.920 122.820 -0.009 0.000 1.883 22 A HA -0.271 4.049 4.320 0.000 0.000 0.217 22 A C 1.991 179.553 177.584 -0.037 0.000 1.186 22 A CA 1.833 53.851 52.037 -0.031 0.000 0.624 22 A CB -0.990 17.991 19.000 -0.031 0.000 0.822 22 A HN 0.474 nan 8.150 nan 0.000 0.444 23 H N -0.028 118.993 119.070 -0.082 0.000 2.423 23 H HA -0.005 4.551 4.556 0.000 0.000 0.297 23 H C 2.268 177.514 175.328 -0.136 0.000 1.075 23 H CA 1.533 57.493 56.048 -0.145 0.000 1.342 23 H CB -0.208 29.384 29.762 -0.283 0.000 1.395 23 H HN 0.415 nan 8.280 nan 0.000 0.530 24 A N 0.425 123.248 122.820 0.004 0.000 1.902 24 A HA -0.111 4.209 4.320 0.000 0.000 0.217 24 A C 2.850 180.399 177.584 -0.059 0.000 1.181 24 A CA 1.707 53.748 52.037 0.007 0.000 0.623 24 A CB -0.857 18.168 19.000 0.040 0.000 0.818 24 A HN 0.291 nan 8.150 nan 0.000 0.443 25 V N -0.320 119.547 119.914 -0.078 0.000 2.323 25 V HA -0.172 3.948 4.120 0.000 0.000 0.244 25 V C 3.042 179.039 176.094 -0.161 0.000 1.041 25 V CA 1.768 64.013 62.300 -0.091 0.000 1.025 25 V CB -1.213 30.562 31.823 -0.080 0.000 0.656 25 V HN 0.602 nan 8.190 nan 0.000 0.451 26 A N 0.857 123.539 122.820 -0.231 0.000 1.933 26 A HA -0.188 4.132 4.320 0.000 0.000 0.218 26 A C 2.382 179.737 177.584 -0.382 0.000 1.175 26 A CA 2.173 54.015 52.037 -0.324 0.000 0.628 26 A CB -0.645 18.164 19.000 -0.319 0.000 0.814 26 A HN 0.687 nan 8.150 nan 0.000 0.444 27 S N -1.990 113.510 115.700 -0.334 0.000 2.603 27 S HA 0.375 4.845 4.470 0.000 0.000 0.220 27 S C 1.386 176.114 174.600 0.212 0.000 0.967 27 S CA 1.006 59.163 58.200 -0.071 0.000 0.920 27 S CB -0.300 62.778 63.200 -0.204 0.000 0.773 27 S HN 1.924 nan 8.310 nan 0.000 0.529 28 G N 0.435 109.286 108.800 0.084 0.000 2.159 28 G HA2 -0.223 3.737 3.960 0.000 0.000 0.256 28 G HA3 -0.223 3.737 3.960 0.000 0.000 0.256 28 G C 0.862 175.831 174.900 0.115 0.000 0.977 28 G CA 0.130 45.340 45.100 0.184 0.000 0.652 28 G HN 0.952 nan 8.290 nan 0.000 0.531 29 G N -0.400 108.443 108.800 0.072 0.000 2.484 29 G HA2 0.543 4.503 3.960 0.000 0.000 0.218 29 G HA3 0.543 4.503 3.960 0.000 0.000 0.218 29 G C 0.664 175.591 174.900 0.045 0.000 1.130 29 G CA 1.814 46.952 45.100 0.064 0.000 0.784 29 G HN 1.847 nan 8.290 nan 0.000 0.543 30 A N -0.510 122.326 122.820 0.028 0.000 2.515 30 A HA 0.777 5.097 4.320 0.000 0.000 0.298 30 A C -0.242 177.346 177.584 0.006 0.000 1.059 30 A CA -0.847 51.201 52.037 0.018 0.000 0.698 30 A CB 1.489 20.497 19.000 0.014 0.000 1.289 30 A HN 0.204 nan 8.150 nan 0.000 0.404 31 R N -0.177 120.327 120.500 0.007 0.000 2.583 31 R HA 0.608 4.948 4.340 0.000 0.000 0.268 31 R C -0.903 175.391 176.300 -0.009 0.000 1.101 31 R CA -0.439 55.660 56.100 -0.000 0.000 1.180 31 R CB 1.001 31.304 30.300 0.004 0.000 1.128 31 R HN 0.616 nan 8.270 nan 0.000 0.568 32 I N 0.593 121.154 120.570 -0.015 0.000 2.509 32 I HA 0.321 4.491 4.170 0.000 0.000 0.293 32 I C -1.329 174.779 176.117 -0.015 0.000 1.020 32 I CA -0.617 60.671 61.300 -0.020 0.000 1.088 32 I CB 1.981 39.962 38.000 -0.032 0.000 1.267 32 I HN 0.188 nan 8.210 nan 0.000 0.430 33 V N 7.528 127.435 119.914 -0.013 0.000 2.709 33 V HA 0.419 4.539 4.120 0.000 0.000 0.308 33 V C -0.774 175.314 176.094 -0.011 0.000 1.062 33 V CA -0.776 61.518 62.300 -0.010 0.000 0.901 33 V CB 1.817 33.637 31.823 -0.006 0.000 1.003 33 V HN 0.581 nan 8.190 nan 0.000 0.425 34 L N 4.319 125.535 121.223 -0.011 0.000 2.281 34 L HA 0.731 5.071 4.340 0.000 0.000 0.285 34 L C 0.754 177.620 176.870 -0.007 0.000 1.074 34 L CA 0.332 55.165 54.840 -0.011 0.000 0.817 34 L CB 0.845 42.896 42.059 -0.013 0.000 1.168 34 L HN 0.866 nan 8.230 nan 0.000 0.434 35 A N 6.933 129.750 122.820 -0.004 0.000 2.483 35 A HA 0.324 4.644 4.320 0.000 0.000 0.238 35 A C -1.574 176.008 177.584 -0.002 0.000 1.070 35 A CA -0.668 51.369 52.037 -0.001 0.000 0.770 35 A CB -0.404 18.598 19.000 0.003 0.000 1.008 35 A HN 0.789 nan 8.150 nan 0.000 0.497 36 P HA -0.173 nan 4.420 nan 0.000 0.216 36 P C -1.285 176.014 177.300 -0.002 0.000 1.157 36 P CA 2.116 65.215 63.100 -0.002 0.000 0.880 36 P CB -0.723 30.976 31.700 -0.001 0.000 0.791 37 P HA -0.144 nan 4.420 nan 0.000 0.218 37 P C 1.282 178.582 177.300 0.001 0.000 1.149 37 P CA 1.869 64.970 63.100 0.001 0.000 0.817 37 P CB -0.417 31.285 31.700 0.003 0.000 0.785 38 A N 0.698 123.519 122.820 0.000 0.000 1.898 38 A HA -0.159 4.161 4.320 0.000 0.000 0.216 38 A C 2.566 180.147 177.584 -0.005 0.000 1.181 38 A CA 1.469 53.505 52.037 -0.001 0.000 0.620 38 A CB -1.311 17.688 19.000 -0.002 0.000 0.819 38 A HN 0.051 nan 8.150 nan 0.000 0.442 39 R N -0.231 120.264 120.500 -0.007 0.000 2.091 39 R HA -0.176 4.164 4.340 0.000 0.000 0.238 39 R C 1.341 177.634 176.300 -0.011 0.000 1.136 39 R CA 1.932 58.026 56.100 -0.011 0.000 0.959 39 R CB -0.346 29.947 30.300 -0.011 0.000 0.856 39 R HN 0.487 nan 8.270 nan 0.000 0.437 40 D N 0.022 120.418 120.400 -0.007 0.000 2.117 40 D HA -0.134 4.506 4.640 0.000 0.000 0.198 40 D C 2.013 178.310 176.300 -0.006 0.000 0.982 40 D CA 1.045 55.041 54.000 -0.007 0.000 0.828 40 D CB -0.170 40.628 40.800 -0.004 0.000 0.967 40 D HN 0.304 nan 8.370 nan 0.000 0.464 41 R N 0.153 120.652 120.500 -0.002 0.000 2.096 41 R HA -0.065 4.275 4.340 0.000 0.000 0.235 41 R C 2.485 178.785 176.300 0.000 0.000 1.127 41 R CA 0.876 56.977 56.100 0.002 0.000 0.968 41 R CB -0.447 29.857 30.300 0.006 0.000 0.861 41 R HN 0.228 nan 8.270 nan 0.000 0.440 42 C N -0.071 119.225 119.300 -0.006 0.000 2.457 42 C HA 0.016 4.476 4.460 0.000 0.000 0.278 42 C C 2.561 177.536 174.990 -0.025 0.000 1.309 42 C CA 0.359 59.370 59.018 -0.012 0.000 1.735 42 C CB -0.726 27.004 27.740 -0.016 0.000 1.992 42 C HN 0.449 nan 8.230 nan 0.000 0.493 43 R N 1.164 121.649 120.500 -0.025 0.000 2.092 43 R HA -0.073 4.267 4.340 0.000 0.000 0.231 43 R C 2.371 178.653 176.300 -0.030 0.000 1.119 43 R CA 1.529 57.610 56.100 -0.033 0.000 0.970 43 R CB -0.445 29.840 30.300 -0.025 0.000 0.864 43 R HN 0.531 nan 8.270 nan 0.000 0.440 44 A N 0.226 123.034 122.820 -0.019 0.000 1.969 44 A HA -0.148 4.172 4.320 0.000 0.000 0.218 44 A C 2.165 179.735 177.584 -0.023 0.000 1.169 44 A CA 1.691 53.718 52.037 -0.016 0.000 0.635 44 A CB -0.411 18.586 19.000 -0.004 0.000 0.810 44 A HN 0.279 nan 8.150 nan 0.000 0.445 45 S N -0.870 114.818 115.700 -0.020 0.000 2.387 45 S HA -0.150 4.320 4.470 0.000 0.000 0.226 45 S C 1.986 176.530 174.600 -0.093 0.000 1.026 45 S CA 1.362 59.546 58.200 -0.026 0.000 0.972 45 S CB -0.294 62.916 63.200 0.017 0.000 0.814 45 S HN 0.678 nan 8.310 nan 0.000 0.477 46 E N 0.374 120.526 120.200 -0.080 0.000 2.110 46 E HA -0.109 4.241 4.350 0.000 0.000 0.193 46 E C 2.027 178.567 176.600 -0.100 0.000 0.988 46 E CA 1.008 57.347 56.400 -0.101 0.000 0.804 46 E CB -0.307 29.338 29.700 -0.091 0.000 0.745 46 E HN 0.604 nan 8.360 nan 0.000 0.458 47 A N 1.255 124.031 122.820 -0.073 0.000 1.930 47 A HA -0.132 4.188 4.320 0.000 0.000 0.217 47 A C 2.130 179.664 177.584 -0.083 0.000 1.175 47 A CA 1.109 53.112 52.037 -0.058 0.000 0.627 47 A CB -0.347 18.632 19.000 -0.035 0.000 0.815 47 A HN 0.158 nan 8.150 nan 0.000 0.443 48 R N -1.119 119.317 120.500 -0.107 0.000 2.092 48 R HA -0.091 4.249 4.340 0.000 0.000 0.231 48 R C 2.084 178.228 176.300 -0.260 0.000 1.119 48 R CA 1.341 57.363 56.100 -0.129 0.000 0.970 48 R CB -0.579 29.671 30.300 -0.084 0.000 0.864 48 R HN 0.497 nan 8.270 nan 0.000 0.440 49 L N 0.608 121.584 121.223 -0.412 0.000 2.017 49 L HA -0.019 4.321 4.340 0.000 0.000 0.208 49 L C 2.176 178.905 176.870 -0.236 0.000 1.073 49 L CA 2.146 56.660 54.840 -0.543 0.000 0.745 49 L CB -1.087 40.668 42.059 -0.508 0.000 0.894 49 L HN 0.158 nan 8.230 nan 0.000 0.432 50 G N -1.001 107.716 108.800 -0.139 0.000 2.442 50 G HA2 -0.291 3.669 3.960 0.000 0.000 0.219 50 G HA3 -0.291 3.669 3.960 0.000 0.000 0.219 50 G C 1.582 176.451 174.900 -0.050 0.000 1.141 50 G CA 0.948 46.010 45.100 -0.063 0.000 0.763 50 G HN 0.668 nan 8.290 nan 0.000 0.554 51 A N 0.022 122.808 122.820 -0.057 0.000 1.898 51 A HA 0.129 4.449 4.320 0.000 0.000 0.216 51 A C 2.611 180.187 177.584 -0.013 0.000 1.181 51 A CA 1.688 53.709 52.037 -0.027 0.000 0.620 51 A CB -0.608 18.380 19.000 -0.021 0.000 0.819 51 A HN 0.247 nan 8.150 nan 0.000 0.442 52 V N 0.484 120.381 119.914 -0.027 0.000 2.287 52 V HA -0.312 3.808 4.120 0.000 0.000 0.248 52 V C 2.441 178.557 176.094 0.037 0.000 1.053 52 V CA 2.270 64.586 62.300 0.028 0.000 1.027 52 V CB -0.707 31.144 31.823 0.047 0.000 0.646 52 V HN 0.588 nan 8.190 nan 0.000 0.447 53 I N -0.569 120.006 120.570 0.008 0.000 2.252 53 I HA -0.245 3.925 4.170 0.000 0.000 0.245 53 I C 2.711 178.834 176.117 0.012 0.000 1.102 53 I CA 1.611 62.921 61.300 0.017 0.000 1.385 53 I CB -0.416 37.585 38.000 0.001 0.000 1.064 53 I HN 0.199 nan 8.210 nan 0.000 0.414 54 R N 1.379 121.880 120.500 0.002 0.000 2.081 54 R HA -0.174 4.166 4.340 0.000 0.000 0.235 54 R C 1.872 178.177 176.300 0.010 0.000 1.131 54 R CA 1.539 57.640 56.100 0.002 0.000 0.960 54 R CB -0.102 30.197 30.300 -0.003 0.000 0.856 54 R HN 0.362 nan 8.270 nan 0.000 0.436 55 E N -0.676 119.535 120.200 0.018 0.000 2.502 55 E HA 0.125 4.475 4.350 0.000 0.000 0.194 55 E C 0.066 176.685 176.600 0.032 0.000 1.062 55 E CA 0.415 56.830 56.400 0.025 0.000 0.867 55 E CB 0.437 30.157 29.700 0.033 0.000 0.888 55 E HN 0.441 nan 8.360 nan 0.000 0.510 56 A N 1.943 124.783 122.820 0.033 0.000 2.791 56 A HA -0.220 4.100 4.320 0.000 0.000 0.292 56 A C -0.046 177.574 177.584 0.060 0.000 1.487 56 A CA 0.507 52.566 52.037 0.036 0.000 0.760 56 A CB -1.299 17.711 19.000 0.017 0.000 1.031 56 A HN 0.121 nan 8.150 nan 0.000 0.503 57 R N 0.134 120.688 120.500 0.090 0.000 2.543 57 R HA 0.160 4.500 4.340 0.000 0.000 0.277 57 R C 0.492 176.905 176.300 0.189 0.000 1.074 57 R CA -0.226 55.953 56.100 0.132 0.000 1.076 57 R CB 0.184 30.574 30.300 0.151 0.000 0.993 57 R HN 0.711 nan 8.270 nan 0.000 0.459 58 H N 1.880 120.989 119.070 0.066 0.000 3.232 58 H HA 0.211 4.767 4.556 0.000 0.000 0.254 58 H C -0.863 174.529 175.328 0.107 0.000 1.213 58 H CA -0.370 55.708 56.048 0.049 0.000 1.503 58 H CB 0.195 29.960 29.762 0.004 0.000 1.563 58 H HN 0.049 nan 8.280 nan 0.000 0.490 59 V N 6.128 126.234 119.914 0.321 0.000 2.709 59 V HA 0.006 4.126 4.120 0.000 0.000 0.308 59 V C -0.737 175.574 176.094 0.362 0.000 1.062 59 V CA -1.010 61.512 62.300 0.370 0.000 0.901 59 V CB 1.440 33.475 31.823 0.353 0.000 1.003 59 V HN 0.634 nan 8.190 nan 0.000 0.425 60 Y N 3.541 124.095 120.300 0.423 0.000 2.721 60 Y HA 0.386 4.936 4.550 0.000 0.000 0.329 60 Y C 1.337 177.320 175.900 0.138 0.000 1.211 60 Y CA 1.654 59.884 58.100 0.217 0.000 1.512 60 Y CB 0.502 39.142 38.460 0.302 0.000 1.249 60 Y HN 1.040 nan 8.280 nan 0.000 0.549 61 G N 4.132 112.611 108.800 -0.535 0.000 2.225 61 G HA2 -0.302 3.658 3.960 0.000 0.000 0.254 61 G HA3 -0.302 3.658 3.960 0.000 0.000 0.254 61 G C 0.638 175.485 174.900 -0.088 0.000 0.988 61 G CA 0.561 45.445 45.100 -0.361 0.000 0.625 61 G HN 0.672 nan 8.290 nan 0.000 0.527 62 L N 0.053 121.268 121.223 -0.013 0.000 2.537 62 L HA 0.311 4.651 4.340 0.000 0.000 0.224 62 L C 2.028 178.902 176.870 0.007 0.000 1.065 62 L CA 1.547 56.413 54.840 0.044 0.000 0.860 62 L CB 0.588 42.724 42.059 0.128 0.000 1.086 62 L HN 0.486 nan 8.230 nan 0.000 0.482 63 T N -4.127 110.423 114.554 -0.006 0.000 3.567 63 T HA 0.176 4.526 4.350 0.000 0.000 0.314 63 T C 0.164 174.832 174.700 -0.052 0.000 0.942 63 T CA 0.118 62.209 62.100 -0.016 0.000 0.997 63 T CB -0.054 68.835 68.868 0.035 0.000 1.205 63 T HN 0.148 nan 8.240 nan 0.000 0.518 64 T N -1.974 112.492 114.554 -0.148 0.000 2.841 64 T HA 0.797 5.147 4.350 0.000 0.000 0.296 64 T C 0.625 175.047 174.700 -0.463 0.000 1.166 64 T CA -0.256 61.731 62.100 -0.188 0.000 1.007 64 T CB 1.412 70.259 68.868 -0.036 0.000 1.253 64 T HN 0.324 nan 8.240 nan 0.000 0.511 65 G N -0.229 108.355 108.800 -0.359 0.000 2.489 65 G HA2 0.568 4.528 3.960 0.000 0.000 0.271 65 G HA3 0.568 4.528 3.960 0.000 0.000 0.271 65 G C -1.138 173.335 174.900 -0.712 0.000 1.427 65 G CA -0.743 44.080 45.100 -0.461 0.000 1.057 65 G HN 0.554 nan 8.290 nan 0.000 0.532 66 F N -1.181 118.744 119.950 -0.042 0.000 2.538 66 F HA 0.614 5.141 4.527 0.000 0.000 0.325 66 F C 1.066 176.972 175.800 0.176 0.000 1.066 66 F CA 0.332 58.364 58.000 0.053 0.000 0.946 66 F CB 1.582 40.617 39.000 0.059 0.000 1.199 66 F HN 1.045 nan 8.300 nan 0.000 0.473 67 G N 2.086 111.193 108.800 0.512 0.000 2.596 67 G HA2 -0.282 3.678 3.960 0.000 0.000 0.295 67 G HA3 -0.282 3.678 3.960 0.000 0.000 0.295 67 G C -1.945 173.068 174.900 0.187 0.000 1.240 67 G CA -0.129 45.129 45.100 0.265 0.000 0.985 67 G HN 0.511 nan 8.290 nan 0.000 0.555 68 P HA 0.132 nan 4.420 nan 0.000 0.230 68 P C 1.659 179.001 177.300 0.069 0.000 1.158 68 P CA 0.741 63.887 63.100 0.077 0.000 0.769 68 P CB -0.074 31.657 31.700 0.052 0.000 0.807 69 L N -1.722 119.547 121.223 0.076 0.000 2.612 69 L HA 0.173 4.513 4.340 0.000 0.000 0.230 69 L C 1.979 178.865 176.870 0.027 0.000 1.140 69 L CA 0.054 54.917 54.840 0.039 0.000 0.896 69 L CB -0.658 41.413 42.059 0.020 0.000 1.065 69 L HN -0.033 nan 8.230 nan 0.000 0.447 70 A N 1.368 124.239 122.820 0.086 0.000 2.067 70 A HA -0.168 4.152 4.320 0.000 0.000 0.219 70 A C 2.043 179.672 177.584 0.075 0.000 1.158 70 A CA 1.350 53.448 52.037 0.102 0.000 0.661 70 A CB -0.464 18.691 19.000 0.258 0.000 0.801 70 A HN 0.646 nan 8.150 nan 0.000 0.452 71 N N -0.330 118.403 118.700 0.056 0.000 2.520 71 N HA -0.085 4.655 4.740 0.000 0.000 0.185 71 N C 0.110 175.626 175.510 0.010 0.000 1.068 71 N CA 0.407 53.482 53.050 0.042 0.000 0.911 71 N CB -0.252 38.253 38.487 0.031 0.000 0.961 71 N HN 0.210 nan 8.380 nan 0.000 0.446 72 R N 1.075 121.571 120.500 -0.008 0.000 2.205 72 R HA 0.371 4.711 4.340 0.000 0.000 0.342 72 R C -0.193 176.073 176.300 -0.057 0.000 1.058 72 R CA -0.264 55.816 56.100 -0.034 0.000 0.904 72 R CB 0.605 30.882 30.300 -0.038 0.000 1.089 72 R HN 0.162 nan 8.270 nan 0.000 0.471 73 L N 4.117 125.300 121.223 -0.067 0.000 2.397 73 L HA 0.314 4.654 4.340 0.000 0.000 0.271 73 L C 0.189 177.010 176.870 -0.082 0.000 1.148 73 L CA -0.260 54.525 54.840 -0.093 0.000 0.825 73 L CB 0.492 42.469 42.059 -0.136 0.000 1.117 73 L HN 0.344 nan 8.230 nan 0.000 0.456 74 I N 1.222 121.741 120.570 -0.084 0.000 2.562 74 I HA 0.262 4.432 4.170 0.000 0.000 0.301 74 I C 0.408 176.492 176.117 -0.054 0.000 1.003 74 I CA -0.388 60.870 61.300 -0.071 0.000 1.127 74 I CB 1.918 39.865 38.000 -0.088 0.000 1.304 74 I HN 0.633 nan 8.210 nan 0.000 0.446 75 S N 2.529 118.204 115.700 -0.041 0.000 2.617 75 S HA 0.358 4.828 4.470 0.000 0.000 0.269 75 S C 1.186 175.772 174.600 -0.024 0.000 1.292 75 S CA -0.065 58.116 58.200 -0.031 0.000 1.010 75 S CB 1.437 64.622 63.200 -0.026 0.000 0.944 75 S HN 0.864 nan 8.310 nan 0.000 0.536 76 G N 0.319 109.108 108.800 -0.018 0.000 2.471 76 G HA2 -0.087 3.873 3.960 0.000 0.000 0.219 76 G HA3 -0.087 3.873 3.960 0.000 0.000 0.219 76 G C 0.919 175.812 174.900 -0.013 0.000 1.125 76 G CA 0.214 45.306 45.100 -0.013 0.000 0.775 76 G HN 0.864 nan 8.290 nan 0.000 0.548 77 E N 0.465 120.657 120.200 -0.014 0.000 2.516 77 E HA 0.008 4.358 4.350 0.000 0.000 0.199 77 E C 0.741 177.334 176.600 -0.011 0.000 1.069 77 E CA 0.128 56.520 56.400 -0.013 0.000 0.876 77 E CB 0.124 29.816 29.700 -0.012 0.000 0.843 77 E HN 0.366 nan 8.360 nan 0.000 0.530 78 N N -0.358 118.335 118.700 -0.012 0.000 2.184 78 N HA 0.035 4.775 4.740 0.000 0.000 0.234 78 N C 1.089 176.595 175.510 -0.005 0.000 1.282 78 N CA 0.128 53.173 53.050 -0.008 0.000 0.877 78 N CB 1.235 39.716 38.487 -0.010 0.000 1.184 78 N HN -0.047 nan 8.380 nan 0.000 0.510 79 V N 1.147 121.057 119.914 -0.006 0.000 2.407 79 V HA -0.171 3.949 4.120 0.000 0.000 0.248 79 V C 2.447 178.549 176.094 0.013 0.000 1.055 79 V CA 1.406 63.707 62.300 0.002 0.000 1.049 79 V CB -0.193 31.632 31.823 0.004 0.000 0.662 79 V HN 0.227 nan 8.190 nan 0.000 0.455 80 R N 0.274 120.776 120.500 0.003 0.000 2.083 80 R HA -0.134 4.206 4.340 0.000 0.000 0.237 80 R C 2.375 178.675 176.300 -0.000 0.000 1.137 80 R CA 2.033 58.133 56.100 -0.001 0.000 0.951 80 R CB -1.400 28.895 30.300 -0.009 0.000 0.851 80 R HN 0.518 nan 8.270 nan 0.000 0.434 81 T N 2.351 116.908 114.554 0.006 0.000 2.746 81 T HA -0.126 4.224 4.350 0.000 0.000 0.267 81 T C 1.890 176.609 174.700 0.030 0.000 1.039 81 T CA 1.082 63.190 62.100 0.013 0.000 1.142 81 T CB -0.307 68.573 68.868 0.020 0.000 0.866 81 T HN 0.083 nan 8.240 nan 0.000 0.444 82 L N 1.399 122.650 121.223 0.047 0.000 1.990 82 L HA -0.167 4.173 4.340 0.000 0.000 0.213 82 L C 2.432 179.414 176.870 0.187 0.000 1.072 82 L CA 1.868 56.772 54.840 0.107 0.000 0.755 82 L CB -0.689 41.400 42.059 0.050 0.000 0.889 82 L HN 0.259 nan 8.230 nan 0.000 0.432 83 Q N -0.880 118.993 119.800 0.121 0.000 2.230 83 Q HA -0.090 4.250 4.340 0.000 0.000 0.202 83 Q C 2.198 178.157 176.000 -0.068 0.000 0.963 83 Q CA 1.159 57.008 55.803 0.077 0.000 0.866 83 Q CB -0.296 28.477 28.738 0.057 0.000 0.931 83 Q HN 0.711 nan 8.270 nan 0.000 0.452 84 A N 1.806 124.565 122.820 -0.101 0.000 1.898 84 A HA -0.172 4.148 4.320 0.000 0.000 0.216 84 A C 1.755 179.062 177.584 -0.462 0.000 1.181 84 A CA 1.346 53.214 52.037 -0.282 0.000 0.620 84 A CB -0.311 18.564 19.000 -0.209 0.000 0.819 84 A HN 0.262 nan 8.150 nan 0.000 0.442 85 N N -0.277 118.329 118.700 -0.158 0.000 2.396 85 N HA -0.078 4.662 4.740 0.000 0.000 0.180 85 N C 1.508 177.060 175.510 0.069 0.000 1.028 85 N CA 1.089 54.147 53.050 0.014 0.000 0.893 85 N CB -0.397 38.176 38.487 0.144 0.000 0.967 85 N HN 0.464 nan 8.380 nan 0.000 0.440 86 L N 0.740 121.937 121.223 -0.043 0.000 1.994 86 L HA -0.056 4.284 4.340 0.000 0.000 0.208 86 L C 1.927 178.510 176.870 -0.478 0.000 1.071 86 L CA 1.375 56.035 54.840 -0.300 0.000 0.745 86 L CB -0.663 41.019 42.059 -0.628 0.000 0.892 86 L HN -0.139 nan 8.230 nan 0.000 0.431 87 V N -0.187 119.517 119.914 -0.351 0.000 2.407 87 V HA -0.343 3.777 4.120 0.000 0.000 0.248 87 V C 2.399 178.360 176.094 -0.221 0.000 1.055 87 V CA 2.229 64.343 62.300 -0.310 0.000 1.049 87 V CB -0.995 30.675 31.823 -0.256 0.000 0.662 87 V HN 0.626 nan 8.190 nan 0.000 0.455 88 H N -0.413 118.550 119.070 -0.178 0.000 2.270 88 H HA -0.186 4.370 4.556 0.000 0.000 0.299 88 H C 2.373 177.636 175.328 -0.110 0.000 1.077 88 H CA 1.685 57.661 56.048 -0.120 0.000 1.294 88 H CB -0.240 29.502 29.762 -0.034 0.000 1.371 88 H HN 0.661 nan 8.280 nan 0.000 0.491 89 H N 0.653 119.752 119.070 0.048 0.000 2.489 89 H HA -0.063 4.493 4.556 0.000 0.000 0.293 89 H C 1.875 177.177 175.328 -0.044 0.000 1.066 89 H CA 0.910 56.957 56.048 -0.003 0.000 1.305 89 H CB -0.259 29.504 29.762 0.002 0.000 1.386 89 H HN 0.332 nan 8.280 nan 0.000 0.551 90 L N 0.927 121.835 121.223 -0.525 0.000 2.341 90 L HA 0.131 4.471 4.340 0.000 0.000 0.214 90 L C 1.985 178.719 176.870 -0.228 0.000 1.115 90 L CA 0.380 54.986 54.840 -0.391 0.000 0.820 90 L CB -0.093 41.665 42.059 -0.501 0.000 0.944 90 L HN 0.262 nan 8.230 nan 0.000 0.452 91 A N 0.143 122.789 122.820 -0.290 0.000 3.029 91 A HA 0.123 4.443 4.320 0.000 0.000 0.251 91 A C 1.250 178.778 177.584 -0.095 0.000 1.749 91 A CA 0.390 52.118 52.037 -0.514 0.000 1.386 91 A CB -0.699 17.948 19.000 -0.587 0.000 1.043 91 A HN 0.376 nan 8.150 nan 0.000 0.638 92 S N -0.666 115.089 115.700 0.091 0.000 2.602 92 S HA 0.383 4.853 4.470 0.000 0.000 0.240 92 S C 0.862 175.560 174.600 0.163 0.000 0.992 92 S CA 0.069 58.344 58.200 0.124 0.000 0.971 92 S CB 0.075 63.315 63.200 0.068 0.000 0.855 92 S HN 0.746 nan 8.310 nan 0.000 0.481 93 G N 1.488 110.481 108.800 0.321 0.000 2.527 93 G HA2 0.514 4.474 3.960 0.000 0.000 0.248 93 G HA3 0.514 4.474 3.960 0.000 0.000 0.248 93 G C -0.141 174.726 174.900 -0.055 0.000 1.231 93 G CA 0.058 45.183 45.100 0.043 0.000 0.838 93 G HN 1.004 nan 8.290 nan 0.000 0.570 94 V N -1.089 118.787 119.914 -0.063 0.000 3.182 94 V HA 1.035 5.155 4.120 0.000 0.000 0.308 94 V C 0.569 176.626 176.094 -0.061 0.000 1.240 94 V CA -0.140 62.127 62.300 -0.055 0.000 1.063 94 V CB 1.080 32.891 31.823 -0.020 0.000 1.076 94 V HN 2.537 nan 8.190 nan 0.000 0.446 95 G N 0.429 109.202 108.800 -0.046 0.000 2.661 95 G HA2 0.072 4.032 3.960 0.000 0.000 0.685 95 G HA3 0.072 4.032 3.960 0.000 0.000 0.685 95 G C -2.764 172.111 174.900 -0.042 0.000 1.298 95 G CA -0.307 44.771 45.100 -0.036 0.000 0.855 95 G HN 1.116 nan 8.290 nan 0.000 0.560 96 P HA 0.400 nan 4.420 nan 0.000 0.267 96 P C 0.855 178.137 177.300 -0.030 0.000 1.200 96 P CA 0.443 63.531 63.100 -0.020 0.000 0.772 96 P CB 0.807 32.504 31.700 -0.005 0.000 0.855 97 V N 1.481 121.378 119.914 -0.028 0.000 2.924 97 V HA 0.158 4.278 4.120 0.000 0.000 0.305 97 V C 0.676 176.764 176.094 -0.010 0.000 1.073 97 V CA -0.670 61.609 62.300 -0.035 0.000 1.098 97 V CB -0.476 31.332 31.823 -0.026 0.000 1.000 97 V HN 0.301 nan 8.190 nan 0.000 0.484 98 L N 2.782 123.994 121.223 -0.017 0.000 2.461 98 L HA 0.247 4.587 4.340 0.000 0.000 0.272 98 L C 0.635 177.524 176.870 0.033 0.000 1.197 98 L CA -0.217 54.624 54.840 0.003 0.000 0.836 98 L CB 0.167 42.217 42.059 -0.014 0.000 1.105 98 L HN 1.025 nan 8.230 nan 0.000 0.477 99 D N 0.056 120.491 120.400 0.059 0.000 2.361 99 D HA -0.110 4.530 4.640 0.000 0.000 0.239 99 D C 0.710 177.100 176.300 0.149 0.000 1.200 99 D CA -0.439 53.628 54.000 0.113 0.000 0.915 99 D CB 0.515 41.387 40.800 0.121 0.000 1.170 99 D HN 0.546 nan 8.370 nan 0.000 0.444 100 W N 1.277 122.581 121.300 0.007 0.000 2.290 100 W HA -0.319 4.341 4.660 0.000 0.000 0.328 100 W C 2.224 178.737 176.519 -0.009 0.000 1.272 100 W CA 2.952 60.301 57.345 0.006 0.000 1.262 100 W CB -0.905 28.560 29.460 0.010 0.000 1.151 100 W HN 0.451 nan 8.180 nan 0.000 0.473 101 T N -0.227 114.448 114.554 0.202 0.000 2.720 101 T HA -0.230 4.120 4.350 0.000 0.000 0.268 101 T C 1.560 176.178 174.700 -0.138 0.000 1.037 101 T CA 2.429 64.496 62.100 -0.055 0.000 1.144 101 T CB -0.932 67.994 68.868 0.097 0.000 0.864 101 T HN 0.212 nan 8.240 nan 0.000 0.444 102 T N 1.901 116.435 114.554 -0.034 0.000 2.777 102 T HA 0.025 4.375 4.350 0.000 0.000 0.266 102 T C 2.420 177.072 174.700 -0.080 0.000 1.040 102 T CA 1.085 63.163 62.100 -0.036 0.000 1.141 102 T CB -0.521 68.356 68.868 0.015 0.000 0.868 102 T HN 0.432 nan 8.240 nan 0.000 0.444 103 A N 1.699 124.461 122.820 -0.096 0.000 1.933 103 A HA -0.096 4.224 4.320 0.000 0.000 0.218 103 A C 2.367 179.849 177.584 -0.170 0.000 1.175 103 A CA 1.335 53.304 52.037 -0.113 0.000 0.628 103 A CB -0.436 18.505 19.000 -0.099 0.000 0.814 103 A HN 0.402 nan 8.150 nan 0.000 0.444 104 R N -0.632 119.699 120.500 -0.281 0.000 2.115 104 R HA 0.043 4.383 4.340 0.000 0.000 0.226 104 R C 2.390 178.557 176.300 -0.222 0.000 1.100 104 R CA 0.970 56.878 56.100 -0.320 0.000 0.980 104 R CB -0.362 29.599 30.300 -0.565 0.000 0.875 104 R HN 0.498 nan 8.270 nan 0.000 0.445 105 A N 1.122 123.828 122.820 -0.190 0.000 1.969 105 A HA -0.172 4.148 4.320 0.000 0.000 0.218 105 A C 2.102 179.630 177.584 -0.093 0.000 1.169 105 A CA 1.204 53.162 52.037 -0.132 0.000 0.635 105 A CB -0.412 18.531 19.000 -0.094 0.000 0.810 105 A HN 0.317 nan 8.150 nan 0.000 0.445 106 M N -0.259 119.290 119.600 -0.086 0.000 2.099 106 M HA -0.117 4.363 4.480 0.000 0.000 0.262 106 M C 1.878 178.139 176.300 -0.065 0.000 1.067 106 M CA 1.982 57.245 55.300 -0.062 0.000 1.124 106 M CB -0.239 32.328 32.600 -0.055 0.000 1.353 106 M HN 0.183 nan 8.290 nan 0.000 0.410 107 V N 1.141 121.006 119.914 -0.082 0.000 2.332 107 V HA -0.284 3.836 4.120 0.000 0.000 0.248 107 V C 2.435 178.488 176.094 -0.068 0.000 1.055 107 V CA 1.802 64.060 62.300 -0.072 0.000 1.038 107 V CB -1.007 30.766 31.823 -0.083 0.000 0.651 107 V HN 0.586 nan 8.190 nan 0.000 0.450 108 L N 0.955 122.127 121.223 -0.085 0.000 2.017 108 L HA -0.101 4.239 4.340 0.000 0.000 0.208 108 L C 2.495 179.327 176.870 -0.063 0.000 1.073 108 L CA 2.403 57.196 54.840 -0.078 0.000 0.745 108 L CB -1.087 40.916 42.059 -0.095 0.000 0.894 108 L HN 0.222 nan 8.230 nan 0.000 0.432 109 A N -0.387 122.397 122.820 -0.060 0.000 1.917 109 A HA -0.316 4.004 4.320 0.000 0.000 0.219 109 A C 2.485 180.046 177.584 -0.040 0.000 1.182 109 A CA 2.155 54.162 52.037 -0.050 0.000 0.633 109 A CB -0.690 18.284 19.000 -0.043 0.000 0.819 109 A HN 0.501 nan 8.150 nan 0.000 0.448 110 R N -0.784 119.695 120.500 -0.035 0.000 2.081 110 R HA -0.083 4.257 4.340 0.000 0.000 0.235 110 R C 1.961 178.248 176.300 -0.023 0.000 1.131 110 R CA 1.551 57.637 56.100 -0.024 0.000 0.960 110 R CB -0.633 29.654 30.300 -0.022 0.000 0.856 110 R HN 0.460 nan 8.270 nan 0.000 0.436 111 L N -0.141 121.064 121.223 -0.031 0.000 2.046 111 L HA -0.100 4.240 4.340 0.000 0.000 0.208 111 L C 1.905 178.758 176.870 -0.029 0.000 1.077 111 L CA 1.633 56.456 54.840 -0.029 0.000 0.747 111 L CB -0.512 41.525 42.059 -0.036 0.000 0.896 111 L HN 0.065 nan 8.230 nan 0.000 0.432 112 V N -1.003 118.888 119.914 -0.038 0.000 2.407 112 V HA -0.273 3.847 4.120 0.000 0.000 0.248 112 V C 2.772 178.847 176.094 -0.030 0.000 1.055 112 V CA 1.802 64.077 62.300 -0.042 0.000 1.049 112 V CB -0.868 30.918 31.823 -0.061 0.000 0.662 112 V HN 0.646 nan 8.190 nan 0.000 0.455 113 S N -0.317 115.368 115.700 -0.025 0.000 2.356 113 S HA -0.137 4.333 4.470 0.000 0.000 0.223 113 S C 1.929 176.527 174.600 -0.002 0.000 1.032 113 S CA 1.655 59.846 58.200 -0.015 0.000 1.005 113 S CB -0.334 62.860 63.200 -0.010 0.000 0.867 113 S HN 0.522 nan 8.310 nan 0.000 0.449 114 I N 1.732 122.302 120.570 0.000 0.000 2.286 114 I HA -0.149 4.021 4.170 0.000 0.000 0.248 114 I C 2.691 178.812 176.117 0.006 0.000 1.115 114 I CA 1.060 62.366 61.300 0.010 0.000 1.392 114 I CB -0.494 37.509 38.000 0.005 0.000 1.065 114 I HN 0.375 nan 8.210 nan 0.000 0.418 115 A N 0.084 122.901 122.820 -0.004 0.000 2.131 115 A HA -0.202 4.118 4.320 0.000 0.000 0.220 115 A C 2.105 179.689 177.584 0.001 0.000 1.158 115 A CA 1.189 53.223 52.037 -0.005 0.000 0.665 115 A CB -0.338 18.655 19.000 -0.013 0.000 0.795 115 A HN 0.412 nan 8.150 nan 0.000 0.460 116 Q N -1.234 118.569 119.800 0.004 0.000 2.369 116 Q HA 0.069 4.409 4.340 0.000 0.000 0.206 116 Q C 1.262 177.272 176.000 0.017 0.000 0.963 116 Q CA 0.867 56.675 55.803 0.009 0.000 0.894 116 Q CB -0.493 28.248 28.738 0.005 0.000 0.965 116 Q HN 1.084 nan 8.270 nan 0.000 0.475 117 G N 0.291 109.104 108.800 0.023 0.000 2.204 117 G HA2 -0.178 3.782 3.960 0.000 0.000 0.244 117 G HA3 -0.178 3.782 3.960 0.000 0.000 0.244 117 G C 0.427 175.363 174.900 0.060 0.000 1.062 117 G CA 0.386 45.506 45.100 0.033 0.000 0.798 117 G HN 0.525 nan 8.290 nan 0.000 0.496 118 A N -1.015 121.852 122.820 0.080 0.000 2.661 118 A HA 0.719 5.039 4.320 0.000 0.000 0.278 118 A C 1.616 179.326 177.584 0.210 0.000 1.090 118 A CA 1.377 53.490 52.037 0.127 0.000 0.969 118 A CB 0.246 19.280 19.000 0.057 0.000 1.240 118 A HN 0.802 nan 8.150 nan 0.000 0.578 119 S N -1.053 114.764 115.700 0.195 0.000 2.502 119 S HA 0.366 4.836 4.470 0.000 0.000 0.215 119 S C 1.526 176.311 174.600 0.308 0.000 1.009 119 S CA 0.694 59.038 58.200 0.239 0.000 0.908 119 S CB 0.418 63.688 63.200 0.117 0.000 0.801 119 S HN 1.687 nan 8.310 nan 0.000 0.505 120 G N 1.903 110.800 108.800 0.162 0.000 2.148 120 G HA2 -0.229 3.731 3.960 0.000 0.000 0.254 120 G HA3 -0.229 3.731 3.960 0.000 0.000 0.254 120 G C 0.213 175.094 174.900 -0.032 0.000 0.981 120 G CA 0.026 45.101 45.100 -0.042 0.000 0.670 120 G HN 0.894 nan 8.290 nan 0.000 0.528 121 A N 0.423 123.248 122.820 0.008 0.000 2.511 121 A HA 0.625 4.945 4.320 0.000 0.000 0.242 121 A C 1.152 178.691 177.584 -0.075 0.000 1.069 121 A CA 0.986 53.012 52.037 -0.020 0.000 0.763 121 A CB 0.210 19.207 19.000 -0.005 0.000 1.001 121 A HN 2.005 nan 8.150 nan 0.000 0.498 122 S N 1.799 117.421 115.700 -0.132 0.000 2.614 122 S HA 0.176 4.646 4.470 0.000 0.000 0.265 122 S C 0.718 175.212 174.600 -0.176 0.000 1.303 122 S CA 0.111 58.161 58.200 -0.249 0.000 1.000 122 S CB 0.648 63.507 63.200 -0.567 0.000 0.935 122 S HN 0.716 nan 8.310 nan 0.000 0.551 123 E N 1.353 121.447 120.200 -0.176 0.000 2.118 123 E HA -0.099 4.251 4.350 0.000 0.000 0.195 123 E C 2.144 178.692 176.600 -0.086 0.000 0.992 123 E CA 1.143 57.480 56.400 -0.104 0.000 0.804 123 E CB -0.731 28.918 29.700 -0.084 0.000 0.741 123 E HN 0.891 nan 8.360 nan 0.000 0.458 124 G N 0.552 109.287 108.800 -0.109 0.000 2.402 124 G HA2 -0.255 3.705 3.960 0.000 0.000 0.216 124 G HA3 -0.255 3.705 3.960 0.000 0.000 0.216 124 G C 1.636 176.512 174.900 -0.040 0.000 1.162 124 G CA 1.240 46.306 45.100 -0.056 0.000 0.777 124 G HN 0.179 nan 8.290 nan 0.000 0.539 125 T N 1.380 115.901 114.554 -0.056 0.000 2.708 125 T HA -0.054 4.296 4.350 0.000 0.000 0.266 125 T C 2.386 177.071 174.700 -0.025 0.000 1.037 125 T CA 1.001 63.083 62.100 -0.030 0.000 1.146 125 T CB -0.163 68.687 68.868 -0.031 0.000 0.865 125 T HN 0.245 nan 8.240 nan 0.000 0.435 126 I N 1.294 121.843 120.570 -0.036 0.000 2.226 126 I HA -0.172 3.998 4.170 0.000 0.000 0.245 126 I C 2.906 179.009 176.117 -0.023 0.000 1.100 126 I CA 1.057 62.340 61.300 -0.028 0.000 1.374 126 I CB -0.476 37.505 38.000 -0.033 0.000 1.057 126 I HN 0.191 nan 8.210 nan 0.000 0.413 127 A N 0.754 123.559 122.820 -0.024 0.000 1.933 127 A HA -0.177 4.143 4.320 0.000 0.000 0.218 127 A C 2.335 179.914 177.584 -0.009 0.000 1.175 127 A CA 1.261 53.288 52.037 -0.017 0.000 0.628 127 A CB -0.390 18.600 19.000 -0.017 0.000 0.814 127 A HN 0.242 nan 8.150 nan 0.000 0.444 128 R N -0.199 120.299 120.500 -0.004 0.000 2.096 128 R HA -0.041 4.299 4.340 0.000 0.000 0.235 128 R C 2.027 178.333 176.300 0.010 0.000 1.127 128 R CA 1.216 57.322 56.100 0.010 0.000 0.968 128 R CB -1.019 29.292 30.300 0.019 0.000 0.861 128 R HN 0.607 nan 8.270 nan 0.000 0.440 129 L N 0.063 121.285 121.223 -0.002 0.000 2.072 129 L HA -0.082 4.258 4.340 0.000 0.000 0.205 129 L C 2.484 179.343 176.870 -0.018 0.000 1.079 129 L CA 1.062 55.896 54.840 -0.010 0.000 0.752 129 L CB -0.447 41.601 42.059 -0.019 0.000 0.906 129 L HN 0.066 nan 8.230 nan 0.000 0.436 130 I N 0.009 120.568 120.570 -0.018 0.000 2.179 130 I HA -0.292 3.878 4.170 0.000 0.000 0.242 130 I C 2.135 178.241 176.117 -0.018 0.000 1.088 130 I CA 1.232 62.519 61.300 -0.021 0.000 1.357 130 I CB -0.428 37.561 38.000 -0.019 0.000 1.051 130 I HN 0.280 nan 8.210 nan 0.000 0.409 131 D N 0.805 121.198 120.400 -0.011 0.000 2.123 131 D HA -0.176 4.464 4.640 0.000 0.000 0.196 131 D C 2.149 178.444 176.300 -0.009 0.000 0.992 131 D CA 0.942 54.936 54.000 -0.010 0.000 0.833 131 D CB -0.344 40.451 40.800 -0.008 0.000 0.954 131 D HN 0.176 nan 8.370 nan 0.000 0.455 132 L N 0.859 122.082 121.223 -0.001 0.000 2.012 132 L HA -0.141 4.199 4.340 0.000 0.000 0.210 132 L C 2.146 179.001 176.870 -0.025 0.000 1.073 132 L CA 1.403 56.248 54.840 0.009 0.000 0.748 132 L CB -0.887 41.194 42.059 0.036 0.000 0.891 132 L HN 0.083 nan 8.230 nan 0.000 0.431 133 L N 0.103 121.299 121.223 -0.046 0.000 2.201 133 L HA -0.190 4.150 4.340 0.000 0.000 0.212 133 L C 1.904 178.747 176.870 -0.045 0.000 1.105 133 L CA 0.824 55.618 54.840 -0.076 0.000 0.775 133 L CB -0.543 41.469 42.059 -0.077 0.000 0.913 133 L HN 0.370 nan 8.230 nan 0.000 0.440 134 N N -0.491 118.197 118.700 -0.020 0.000 2.412 134 N HA -0.014 4.726 4.740 0.000 0.000 0.184 134 N C 0.906 176.427 175.510 0.019 0.000 1.101 134 N CA 0.368 53.417 53.050 -0.001 0.000 0.881 134 N CB 0.165 38.650 38.487 -0.004 0.000 0.969 134 N HN 0.336 nan 8.380 nan 0.000 0.459 135 S N -0.033 115.679 115.700 0.021 0.000 2.694 135 S HA 0.288 4.758 4.470 0.000 0.000 0.278 135 S C 0.776 175.450 174.600 0.123 0.000 1.152 135 S CA -0.451 57.775 58.200 0.043 0.000 1.010 135 S CB 1.485 64.691 63.200 0.011 0.000 1.104 135 S HN -0.079 nan 8.310 nan 0.000 0.547 136 E N -0.014 120.282 120.200 0.160 0.000 2.463 136 E HA 0.348 4.698 4.350 0.000 0.000 0.193 136 E C -0.078 176.818 176.600 0.493 0.000 1.041 136 E CA -0.008 56.575 56.400 0.305 0.000 0.879 136 E CB -0.112 29.671 29.700 0.138 0.000 0.997 136 E HN 0.506 nan 8.360 nan 0.000 0.478 137 L N -0.199 121.233 121.223 0.348 0.000 2.335 137 L HA 0.757 5.097 4.340 0.000 0.000 0.268 137 L C -0.010 177.000 176.870 0.233 0.000 1.016 137 L CA -1.072 54.006 54.840 0.397 0.000 0.805 137 L CB 1.442 43.596 42.059 0.159 0.000 1.311 137 L HN -0.178 nan 8.230 nan 0.000 0.456 138 A N 0.682 123.656 122.820 0.257 0.000 2.549 138 A HA 0.766 5.086 4.320 0.000 0.000 0.297 138 A C -2.824 174.858 177.584 0.164 0.000 1.061 138 A CA -1.292 50.749 52.037 0.006 0.000 0.690 138 A CB 1.810 20.605 19.000 -0.342 0.000 1.287 138 A HN 0.361 nan 8.150 nan 0.000 0.402 139 P HA 0.377 nan 4.420 nan 0.000 0.274 139 P C -0.297 176.921 177.300 -0.136 0.000 1.231 139 P CA 0.091 63.060 63.100 -0.218 0.000 0.790 139 P CB 1.233 32.800 31.700 -0.222 0.000 0.951 140 A N 3.162 125.873 122.820 -0.181 0.000 2.366 140 A HA 0.503 4.823 4.320 0.000 0.000 0.322 140 A C 0.196 177.713 177.584 -0.111 0.000 1.397 140 A CA -0.509 51.474 52.037 -0.089 0.000 0.984 140 A CB -0.423 18.543 19.000 -0.056 0.000 1.149 140 A HN 0.433 nan 8.150 nan 0.000 0.540 141 V N 0.951 120.803 119.914 -0.104 0.000 2.604 141 V HA 0.758 4.878 4.120 0.000 0.000 0.305 141 V C -2.792 173.193 176.094 -0.181 0.000 1.043 141 V CA -2.640 59.572 62.300 -0.147 0.000 0.888 141 V CB 1.793 33.562 31.823 -0.091 0.000 0.995 141 V HN 0.635 nan 8.190 nan 0.000 0.429 142 P HA 0.123 nan 4.420 nan 0.000 0.268 142 P C 0.843 178.052 177.300 -0.151 0.000 1.205 142 P CA 0.363 63.317 63.100 -0.242 0.000 0.771 142 P CB 1.397 32.881 31.700 -0.360 0.000 0.858 143 S N 2.912 118.560 115.700 -0.088 0.000 2.436 143 S HA -0.002 4.468 4.470 0.000 0.000 0.228 143 S C 0.862 175.440 174.600 -0.037 0.000 1.014 143 S CA 0.177 58.348 58.200 -0.049 0.000 0.950 143 S CB -0.126 63.059 63.200 -0.025 0.000 0.784 143 S HN 0.411 nan 8.310 nan 0.000 0.504 144 R N -0.155 120.319 120.500 -0.043 0.000 2.720 144 R HA 0.621 4.961 4.340 0.000 0.000 0.272 144 R C 0.813 177.101 176.300 -0.019 0.000 0.991 144 R CA -0.039 56.047 56.100 -0.023 0.000 1.010 144 R CB 1.322 31.611 30.300 -0.017 0.000 1.141 144 R HN 0.337 nan 8.270 nan 0.000 0.494 145 G N 0.085 108.885 108.800 -0.000 0.000 2.421 145 G HA2 -0.217 3.743 3.960 0.000 0.000 0.188 145 G HA3 -0.217 3.743 3.960 0.000 0.000 0.188 145 G C 0.051 174.962 174.900 0.018 0.000 1.001 145 G CA -0.007 45.101 45.100 0.014 0.000 0.693 145 G HN 0.618 nan 8.290 nan 0.000 0.479 146 T N 0.430 114.992 114.554 0.014 0.000 2.895 146 T HA 0.549 4.899 4.350 0.000 0.000 0.283 146 T C 1.387 176.099 174.700 0.020 0.000 1.014 146 T CA 0.425 62.533 62.100 0.013 0.000 1.037 146 T CB 1.704 70.577 68.868 0.009 0.000 1.006 146 T HN 1.171 nan 8.240 nan 0.000 0.468 147 V N 1.388 121.316 119.914 0.022 0.000 3.542 147 V HA 0.617 4.737 4.120 0.000 0.000 0.296 147 V C 1.159 177.279 176.094 0.042 0.000 1.364 147 V CA 0.275 62.595 62.300 0.033 0.000 1.118 147 V CB -1.310 30.534 31.823 0.035 0.000 0.972 147 V HN 1.393 nan 8.190 nan 0.000 0.430 153 L N -0.285 120.906 121.223 -0.055 0.000 2.042 153 L HA -0.148 4.192 4.340 0.000 0.000 0.210 153 L C 2.362 179.184 176.870 -0.079 0.000 1.076 153 L CA 1.455 56.242 54.840 -0.088 0.000 0.749 153 L CB -0.631 41.352 42.059 -0.127 0.000 0.893 153 L HN 0.093 nan 8.230 nan 0.000 0.432 154 T N 0.436 114.967 114.554 -0.038 0.000 2.643 154 T HA -0.088 4.262 4.350 0.000 0.000 0.264 154 T C -0.442 174.329 174.700 0.119 0.000 1.045 154 T CA 1.744 63.857 62.100 0.021 0.000 1.155 154 T CB -1.151 67.750 68.868 0.055 0.000 0.863 154 T HN 0.306 nan 8.240 nan 0.000 0.420 155 P HA 0.019 nan 4.420 nan 0.000 0.218 155 P C 1.545 178.872 177.300 0.045 0.000 1.149 155 P CA 0.963 64.102 63.100 0.065 0.000 0.817 155 P CB -0.220 31.481 31.700 0.002 0.000 0.785 156 L N -0.762 120.460 121.223 -0.000 0.000 2.156 156 L HA -0.054 4.286 4.340 0.000 0.000 0.208 156 L C 2.751 179.590 176.870 -0.052 0.000 1.095 156 L CA 1.195 56.018 54.840 -0.028 0.000 0.770 156 L CB -0.969 41.066 42.059 -0.040 0.000 0.914 156 L HN -0.059 nan 8.230 nan 0.000 0.439 157 A N -0.867 121.903 122.820 -0.082 0.000 1.898 157 A HA -0.214 4.106 4.320 0.000 0.000 0.216 157 A C 2.124 179.610 177.584 -0.163 0.000 1.181 157 A CA 1.235 53.174 52.037 -0.163 0.000 0.620 157 A CB -0.712 18.137 19.000 -0.253 0.000 0.819 157 A HN 0.397 nan 8.150 nan 0.000 0.442 158 H N -1.172 117.843 119.070 -0.091 0.000 2.387 158 H HA -0.100 4.456 4.556 0.000 0.000 0.299 158 H C 2.093 177.353 175.328 -0.114 0.000 1.090 158 H CA 1.745 57.738 56.048 -0.091 0.000 1.332 158 H CB -0.240 29.471 29.762 -0.084 0.000 1.386 158 H HN 0.592 nan 8.280 nan 0.000 0.516 159 M N 0.659 120.263 119.600 0.007 0.000 2.117 159 M HA -0.146 4.334 4.480 0.000 0.000 0.262 159 M C 2.082 178.340 176.300 -0.070 0.000 1.065 159 M CA 1.262 56.528 55.300 -0.057 0.000 1.114 159 M CB -0.100 32.472 32.600 -0.047 0.000 1.361 159 M HN -0.006 nan 8.290 nan 0.000 0.408 160 V N 1.353 121.229 119.914 -0.063 0.000 2.287 160 V HA -0.305 3.815 4.120 0.000 0.000 0.248 160 V C 2.448 178.509 176.094 -0.054 0.000 1.053 160 V CA 1.827 64.093 62.300 -0.057 0.000 1.027 160 V CB -0.783 30.995 31.823 -0.075 0.000 0.646 160 V HN 0.545 nan 8.190 nan 0.000 0.447 161 L N -0.889 120.292 121.223 -0.070 0.000 2.083 161 L HA -0.226 4.114 4.340 0.000 0.000 0.209 161 L C 2.653 179.485 176.870 -0.063 0.000 1.083 161 L CA 1.581 56.390 54.840 -0.052 0.000 0.752 161 L CB -0.778 41.246 42.059 -0.059 0.000 0.899 161 L HN 0.403 nan 8.230 nan 0.000 0.433 162 C N -0.104 119.111 119.300 -0.143 0.000 2.432 162 C HA -0.153 4.307 4.460 0.000 0.000 0.277 162 C C 2.675 177.571 174.990 -0.157 0.000 1.249 162 C CA 0.460 59.273 59.018 -0.343 0.000 1.725 162 C CB -0.834 26.546 27.740 -0.600 0.000 2.028 162 C HN 0.442 nan 8.230 nan 0.000 0.477 163 L N 0.286 121.496 121.223 -0.021 0.000 2.362 163 L HA -0.159 4.181 4.340 0.000 0.000 0.219 163 L C 2.329 179.280 176.870 0.135 0.000 1.134 163 L CA 1.260 56.187 54.840 0.144 0.000 0.807 163 L CB -0.643 41.461 42.059 0.075 0.000 0.927 163 L HN 0.538 nan 8.230 nan 0.000 0.447 164 Q N -0.401 119.448 119.800 0.080 0.000 2.319 164 Q HA 0.141 4.481 4.340 0.000 0.000 0.202 164 Q C 1.300 177.357 176.000 0.096 0.000 0.896 164 Q CA 0.475 56.321 55.803 0.071 0.000 0.942 164 Q CB 0.723 29.483 28.738 0.037 0.000 1.083 164 Q HN 0.534 nan 8.270 nan 0.000 0.510 165 G N 1.882 110.774 108.800 0.152 0.000 2.136 165 G HA2 -0.315 3.645 3.960 0.000 0.000 0.242 165 G HA3 -0.315 3.645 3.960 0.000 0.000 0.242 165 G C 0.524 175.491 174.900 0.111 0.000 0.989 165 G CA 0.101 45.310 45.100 0.183 0.000 0.682 165 G HN 0.322 nan 8.290 nan 0.000 0.522 166 R N 0.038 120.575 120.500 0.062 0.000 2.552 166 R HA 0.471 4.811 4.340 0.000 0.000 0.314 166 R C 0.979 177.282 176.300 0.006 0.000 1.041 166 R CA 0.485 56.607 56.100 0.036 0.000 1.076 166 R CB 0.786 31.106 30.300 0.033 0.000 1.290 166 R HN 0.528 nan 8.270 nan 0.000 0.563 167 G N -0.342 108.446 108.800 -0.021 0.000 2.692 167 G HA2 0.225 4.185 3.960 0.000 0.000 0.291 167 G HA3 0.225 4.185 3.960 0.000 0.000 0.291 167 G C -1.520 173.303 174.900 -0.128 0.000 1.423 167 G CA -0.664 44.390 45.100 -0.076 0.000 0.843 167 G HN -0.117 nan 8.290 nan 0.000 0.486 168 D N -0.517 119.821 120.400 -0.104 0.000 2.360 168 D HA 0.594 5.234 4.640 0.000 0.000 0.242 168 D C -0.484 175.692 176.300 -0.206 0.000 1.184 168 D CA 0.527 54.499 54.000 -0.046 0.000 0.930 168 D CB 0.911 41.715 40.800 0.006 0.000 1.161 168 D HN 0.100 nan 8.370 nan 0.000 0.447 169 F N -0.529 119.447 119.950 0.044 0.000 2.618 169 F HA 0.534 5.061 4.527 0.000 0.000 0.332 169 F C -0.250 175.598 175.800 0.081 0.000 1.061 169 F CA -0.904 57.131 58.000 0.058 0.000 0.974 169 F CB 1.209 40.244 39.000 0.058 0.000 1.310 169 F HN -0.064 nan 8.300 nan 0.000 0.491 170 L N 1.622 123.054 121.223 0.349 0.000 2.385 170 L HA 0.404 4.744 4.340 0.000 0.000 0.273 170 L C -1.043 176.046 176.870 0.365 0.000 0.990 170 L CA -1.056 53.962 54.840 0.296 0.000 0.821 170 L CB 1.842 44.079 42.059 0.296 0.000 1.279 170 L HN 0.598 nan 8.230 nan 0.000 0.412 171 D N 1.379 121.885 120.400 0.177 0.000 2.451 171 D HA 0.173 4.813 4.640 0.000 0.000 0.259 171 D C 0.879 177.012 176.300 -0.278 0.000 1.201 171 D CA -0.541 53.484 54.000 0.042 0.000 1.028 171 D CB 0.770 41.555 40.800 -0.025 0.000 1.095 171 D HN 0.308 nan 8.370 nan 0.000 0.539 172 R N -0.792 119.294 120.500 -0.690 0.000 2.170 172 R HA -0.103 4.237 4.340 0.000 0.000 0.242 172 R C 0.387 176.346 176.300 -0.569 0.000 1.145 172 R CA 1.331 56.699 56.100 -1.220 0.000 0.984 172 R CB -0.142 29.535 30.300 -1.037 0.000 0.869 172 R HN 0.516 nan 8.270 nan 0.000 0.455 173 D N -1.190 119.033 120.400 -0.294 0.000 2.328 173 D HA 0.081 4.721 4.640 0.000 0.000 0.221 173 D C 1.078 177.340 176.300 -0.064 0.000 1.072 173 D CA 0.787 54.699 54.000 -0.148 0.000 0.850 173 D CB 0.880 41.617 40.800 -0.105 0.000 0.922 173 D HN 0.425 nan 8.370 nan 0.000 0.516 174 G N 1.059 109.840 108.800 -0.033 0.000 2.176 174 G HA2 -0.276 3.684 3.960 0.000 0.000 0.253 174 G HA3 -0.276 3.684 3.960 0.000 0.000 0.253 174 G C 0.636 175.562 174.900 0.043 0.000 0.979 174 G CA 0.298 45.424 45.100 0.043 0.000 0.641 174 G HN 0.304 nan 8.290 nan 0.000 0.530 175 T N 2.163 116.729 114.554 0.020 0.000 2.888 175 T HA 0.427 4.777 4.350 0.000 0.000 0.301 175 T C 0.856 175.592 174.700 0.059 0.000 1.001 175 T CA 0.080 62.197 62.100 0.028 0.000 1.147 175 T CB 0.691 69.565 68.868 0.010 0.000 0.931 175 T HN 0.423 nan 8.240 nan 0.000 0.541 176 R N 2.546 123.081 120.500 0.059 0.000 2.410 176 R HA 0.564 4.904 4.340 0.000 0.000 0.288 176 R C -0.406 175.945 176.300 0.085 0.000 1.051 176 R CA -0.535 55.613 56.100 0.079 0.000 1.021 176 R CB 0.718 31.053 30.300 0.058 0.000 1.032 176 R HN 0.499 nan 8.270 nan 0.000 0.481 177 L N 1.950 123.250 121.223 0.128 0.000 2.354 177 L HA 0.343 4.683 4.340 0.000 0.000 0.269 177 L C -0.143 176.824 176.870 0.162 0.000 1.005 177 L CA -1.290 53.627 54.840 0.129 0.000 0.819 177 L CB 1.839 43.981 42.059 0.139 0.000 1.311 177 L HN 0.667 nan 8.230 nan 0.000 0.423 178 D N 0.958 121.434 120.400 0.127 0.000 2.398 178 D HA 0.104 4.745 4.640 0.000 0.000 0.247 178 D C 1.203 177.631 176.300 0.212 0.000 1.227 178 D CA -0.064 54.014 54.000 0.130 0.000 0.980 178 D CB 0.800 41.649 40.800 0.082 0.000 1.106 178 D HN 0.571 nan 8.370 nan 0.000 0.493 179 G N -0.241 108.677 108.800 0.196 0.000 2.491 179 G HA2 -0.265 3.695 3.960 0.000 0.000 0.218 179 G HA3 -0.265 3.695 3.960 0.000 0.000 0.218 179 G C 1.513 176.549 174.900 0.227 0.000 1.180 179 G CA 2.042 47.311 45.100 0.282 0.000 0.774 179 G HN 0.707 nan 8.290 nan 0.000 0.562 180 A N 0.664 123.557 122.820 0.122 0.000 1.883 180 A HA -0.087 4.233 4.320 0.000 0.000 0.217 180 A C 2.227 179.830 177.584 0.032 0.000 1.186 180 A CA 2.387 54.464 52.037 0.067 0.000 0.624 180 A CB -0.521 18.508 19.000 0.047 0.000 0.822 180 A HN 0.423 nan 8.150 nan 0.000 0.444 181 E N 0.092 120.316 120.200 0.041 0.000 2.110 181 E HA -0.045 4.305 4.350 0.000 0.000 0.193 181 E C 1.948 178.514 176.600 -0.056 0.000 0.988 181 E CA 1.543 57.947 56.400 0.007 0.000 0.804 181 E CB -0.825 28.893 29.700 0.031 0.000 0.745 181 E HN 0.414 nan 8.360 nan 0.000 0.458 182 G N 0.718 109.473 108.800 -0.074 0.000 2.433 182 G HA2 -0.222 3.739 3.960 0.000 0.000 0.216 182 G HA3 -0.222 3.739 3.960 0.000 0.000 0.216 182 G C 1.609 176.165 174.900 -0.574 0.000 1.186 182 G CA 0.908 45.728 45.100 -0.466 0.000 0.779 182 G HN 0.316 nan 8.290 nan 0.000 0.543 183 L N -0.214 120.794 121.223 -0.358 0.000 2.083 183 L HA -0.043 4.297 4.340 0.000 0.000 0.209 183 L C 2.939 179.721 176.870 -0.146 0.000 1.083 183 L CA 1.154 55.861 54.840 -0.221 0.000 0.752 183 L CB -0.387 41.636 42.059 -0.060 0.000 0.899 183 L HN 0.208 nan 8.230 nan 0.000 0.433 184 R N 0.512 120.948 120.500 -0.106 0.000 2.064 184 R HA -0.173 4.167 4.340 0.000 0.000 0.228 184 R C 2.536 178.790 176.300 -0.077 0.000 1.144 184 R CA 1.530 57.590 56.100 -0.068 0.000 0.932 184 R CB -0.203 30.073 30.300 -0.040 0.000 0.833 184 R HN 0.151 nan 8.270 nan 0.000 0.429 185 R N -0.451 119.997 120.500 -0.087 0.000 2.105 185 R HA -0.102 4.238 4.340 0.000 0.000 0.239 185 R C 1.843 178.092 176.300 -0.084 0.000 1.135 185 R CA 1.852 57.908 56.100 -0.073 0.000 0.967 185 R CB -0.466 29.796 30.300 -0.064 0.000 0.861 185 R HN 0.420 nan 8.270 nan 0.000 0.442 186 G N -0.381 108.335 108.800 -0.140 0.000 2.985 186 G HA2 -0.047 3.913 3.960 0.000 0.000 0.209 186 G HA3 -0.047 3.913 3.960 0.000 0.000 0.209 186 G C -0.192 174.651 174.900 -0.095 0.000 1.165 186 G CA -0.192 44.832 45.100 -0.126 0.000 0.776 186 G HN 0.354 nan 8.290 nan 0.000 0.541 187 R N -1.059 119.389 120.500 -0.087 0.000 3.264 187 R HA -0.141 4.199 4.340 0.000 0.000 0.251 187 R C -0.703 175.562 176.300 -0.057 0.000 0.971 187 R CA 0.265 56.330 56.100 -0.058 0.000 0.658 187 R CB -2.262 28.016 30.300 -0.037 0.000 1.095 187 R HN 0.337 nan 8.270 nan 0.000 0.443 188 L N 0.564 121.741 121.223 -0.078 0.000 2.334 188 L HA 0.399 4.739 4.340 0.000 0.000 0.273 188 L C 0.686 177.539 176.870 -0.027 0.000 1.013 188 L CA -1.119 53.687 54.840 -0.057 0.000 0.816 188 L CB 1.570 43.576 42.059 -0.089 0.000 1.278 188 L HN 0.015 nan 8.230 nan 0.000 0.431 189 Q N 2.744 122.542 119.800 -0.005 0.000 2.235 189 Q HA 0.362 4.702 4.340 0.000 0.000 0.250 189 Q C -2.296 173.721 176.000 0.028 0.000 0.909 189 Q CA -1.868 53.941 55.803 0.009 0.000 0.910 189 Q CB 1.343 30.087 28.738 0.010 0.000 1.223 189 Q HN 0.298 nan 8.270 nan 0.000 0.432 190 P HA -0.001 nan 4.420 nan 0.000 0.271 190 P C -0.248 177.080 177.300 0.046 0.000 1.220 190 P CA -0.495 62.636 63.100 0.051 0.000 0.768 190 P CB 0.536 32.263 31.700 0.045 0.000 0.848 191 L N 3.231 124.486 121.223 0.053 0.000 2.513 191 L HA 0.152 4.492 4.340 0.000 0.000 0.272 191 L C -0.125 176.767 176.870 0.036 0.000 1.187 191 L CA 0.602 55.467 54.840 0.040 0.000 0.895 191 L CB -0.584 41.496 42.059 0.036 0.000 1.147 191 L HN 0.325 nan 8.230 nan 0.000 0.483 192 D N 4.260 124.684 120.400 0.041 0.000 2.408 192 D HA 0.301 4.941 4.640 0.000 0.000 0.243 192 D C -0.238 176.102 176.300 0.066 0.000 1.075 192 D CA -0.249 53.780 54.000 0.049 0.000 0.832 192 D CB 0.860 41.695 40.800 0.060 0.000 1.162 192 D HN 0.625 nan 8.370 nan 0.000 0.515 193 L N 3.419 124.670 121.223 0.047 0.000 2.984 193 L HA 0.152 4.492 4.340 0.000 0.000 0.246 193 L C 1.755 178.658 176.870 0.054 0.000 1.268 193 L CA -0.199 54.674 54.840 0.056 0.000 1.054 193 L CB -0.122 41.948 42.059 0.019 0.000 1.393 193 L HN 0.452 nan 8.230 nan 0.000 0.532 194 S N -2.061 113.669 115.700 0.049 0.000 2.419 194 S HA -0.209 4.261 4.470 0.000 0.000 0.233 194 S C 1.438 175.971 174.600 -0.111 0.000 1.016 194 S CA 0.974 59.144 58.200 -0.050 0.000 0.974 194 S CB -0.423 62.708 63.200 -0.115 0.000 0.786 194 S HN 0.544 nan 8.310 nan 0.000 0.492 195 H N 1.488 120.552 119.070 -0.010 0.000 2.547 195 H HA 0.370 4.926 4.556 0.000 0.000 0.266 195 H C 0.548 175.868 175.328 -0.013 0.000 0.988 195 H CA 0.365 56.404 56.048 -0.015 0.000 1.147 195 H CB -0.138 29.611 29.762 -0.021 0.000 1.365 195 H HN 0.367 nan 8.280 nan 0.000 0.589 196 R N 0.858 121.406 120.500 0.080 0.000 3.651 196 R HA -0.134 4.206 4.340 0.000 0.000 0.292 196 R C -0.756 175.590 176.300 0.078 0.000 1.161 196 R CA 0.860 56.996 56.100 0.061 0.000 0.787 196 R CB -1.786 28.538 30.300 0.040 0.000 1.249 196 R HN 0.537 nan 8.270 nan 0.000 0.476 197 D N -1.056 119.394 120.400 0.083 0.000 2.615 197 D HA 0.242 4.882 4.640 0.000 0.000 0.236 197 D C 1.194 177.533 176.300 0.065 0.000 1.233 197 D CA 0.309 54.355 54.000 0.075 0.000 0.829 197 D CB 0.372 41.201 40.800 0.049 0.000 1.024 197 D HN 0.289 nan 8.370 nan 0.000 0.490 198 A N 0.454 123.308 122.820 0.058 0.000 1.933 198 A HA -0.114 4.206 4.320 0.000 0.000 0.218 198 A C 1.932 179.535 177.584 0.031 0.000 1.175 198 A CA 0.805 52.858 52.037 0.026 0.000 0.628 198 A CB -0.487 18.515 19.000 0.003 0.000 0.814 198 A HN 0.277 nan 8.150 nan 0.000 0.444 199 L N -0.510 120.762 121.223 0.080 0.000 2.450 199 L HA -0.076 4.264 4.340 0.000 0.000 0.224 199 L C 2.668 179.591 176.870 0.089 0.000 1.149 199 L CA 1.374 56.273 54.840 0.099 0.000 0.816 199 L CB -0.642 41.524 42.059 0.177 0.000 0.932 199 L HN 0.393 nan 8.230 nan 0.000 0.449 200 A N -1.327 121.545 122.820 0.086 0.000 2.119 200 A HA 0.058 4.378 4.320 0.000 0.000 0.216 200 A C 2.159 179.764 177.584 0.034 0.000 1.152 200 A CA 0.896 52.977 52.037 0.073 0.000 0.708 200 A CB -0.253 18.790 19.000 0.072 0.000 0.805 200 A HN 0.393 nan 8.150 nan 0.000 0.460 201 L N -1.055 120.178 121.223 0.017 0.000 2.388 201 L HA 0.120 4.460 4.340 0.000 0.000 0.209 201 L C 0.002 176.859 176.870 -0.022 0.000 1.061 201 L CA 0.290 55.126 54.840 -0.007 0.000 0.834 201 L CB 0.348 42.397 42.059 -0.017 0.000 1.029 201 L HN 0.057 nan 8.230 nan 0.000 0.473 202 V N 1.800 121.695 119.914 -0.032 0.000 2.240 202 V HA 0.396 4.516 4.120 0.000 0.000 0.265 202 V C -0.495 175.580 176.094 -0.032 0.000 1.073 202 V CA -0.278 61.986 62.300 -0.061 0.000 0.857 202 V CB -0.023 31.726 31.823 -0.124 0.000 1.114 202 V HN 0.318 nan 8.190 nan 0.000 0.469 203 N N 1.935 120.629 118.700 -0.009 0.000 3.348 203 N HA 0.517 5.257 4.740 0.000 0.000 0.233 203 N C -0.048 175.485 175.510 0.040 0.000 1.440 203 N CA 0.606 53.671 53.050 0.025 0.000 0.887 203 N CB 2.268 40.788 38.487 0.056 0.000 1.410 203 N HN 0.778 nan 8.380 nan 0.000 0.502 204 G N -0.023 108.833 108.800 0.092 0.000 2.697 204 G HA2 -0.240 3.720 3.960 0.000 0.000 0.240 204 G HA3 -0.240 3.720 3.960 0.000 0.000 0.240 204 G C 0.205 175.150 174.900 0.076 0.000 1.346 204 G CA 0.488 45.645 45.100 0.096 0.000 0.887 204 G HN 1.209 nan 8.290 nan 0.000 0.569 205 T N -3.049 111.536 114.554 0.051 0.000 3.269 205 T HA 0.568 4.918 4.350 0.000 0.000 0.269 205 T C 1.824 176.530 174.700 0.010 0.000 0.993 205 T CA 0.948 63.070 62.100 0.037 0.000 0.909 205 T CB 0.391 69.279 68.868 0.034 0.000 1.115 205 T HN 0.859 nan 8.240 nan 0.000 0.543 206 S N 1.809 117.511 115.700 0.003 0.000 2.374 206 S HA -0.104 4.366 4.470 0.000 0.000 0.227 206 S C 2.473 177.064 174.600 -0.015 0.000 1.037 206 S CA 1.386 59.579 58.200 -0.012 0.000 1.024 206 S CB -0.641 62.549 63.200 -0.017 0.000 0.861 206 S HN 0.839 nan 8.310 nan 0.000 0.456 207 A N 2.515 125.330 122.820 -0.009 0.000 1.873 207 A HA -0.063 4.257 4.320 0.000 0.000 0.215 207 A C 2.280 179.865 177.584 0.001 0.000 1.186 207 A CA 1.712 53.744 52.037 -0.009 0.000 0.616 207 A CB -0.773 18.223 19.000 -0.007 0.000 0.823 207 A HN 0.668 nan 8.150 nan 0.000 0.442 208 M N -1.609 117.996 119.600 0.009 0.000 2.213 208 M HA -0.072 4.408 4.480 0.000 0.000 0.263 208 M C 1.778 178.084 176.300 0.011 0.000 1.062 208 M CA 2.238 57.548 55.300 0.017 0.000 1.105 208 M CB -1.254 31.360 32.600 0.022 0.000 1.385 208 M HN 0.139 nan 8.290 nan 0.000 0.417 209 T N 1.178 115.729 114.554 -0.004 0.000 2.777 209 T HA 0.015 4.365 4.350 0.000 0.000 0.266 209 T C 1.974 176.669 174.700 -0.008 0.000 1.040 209 T CA 1.614 63.703 62.100 -0.018 0.000 1.141 209 T CB -0.702 68.147 68.868 -0.032 0.000 0.868 209 T HN 0.715 nan 8.240 nan 0.000 0.444 210 G N 1.353 110.147 108.800 -0.010 0.000 2.421 210 G HA2 -0.126 3.834 3.960 0.000 0.000 0.216 210 G HA3 -0.126 3.834 3.960 0.000 0.000 0.216 210 G C 1.521 176.431 174.900 0.017 0.000 1.171 210 G CA 0.498 45.590 45.100 -0.012 0.000 0.775 210 G HN 0.482 nan 8.290 nan 0.000 0.543 211 I N 1.503 122.089 120.570 0.026 0.000 2.208 211 I HA -0.189 3.981 4.170 0.000 0.000 0.245 211 I C 3.276 179.444 176.117 0.085 0.000 1.097 211 I CA 1.090 62.421 61.300 0.051 0.000 1.363 211 I CB -0.199 37.829 38.000 0.047 0.000 1.051 211 I HN 0.236 nan 8.210 nan 0.000 0.413 212 A N 1.204 124.076 122.820 0.087 0.000 1.933 212 A HA -0.170 4.150 4.320 0.000 0.000 0.218 212 A C 2.239 179.927 177.584 0.175 0.000 1.175 212 A CA 1.825 53.951 52.037 0.149 0.000 0.628 212 A CB -0.821 18.236 19.000 0.094 0.000 0.814 212 A HN 0.516 nan 8.150 nan 0.000 0.444 213 L N -1.970 119.318 121.223 0.109 0.000 2.156 213 L HA 0.021 4.361 4.340 0.000 0.000 0.208 213 L C 1.952 178.933 176.870 0.186 0.000 1.095 213 L CA 1.527 56.441 54.840 0.123 0.000 0.770 213 L CB -1.100 40.997 42.059 0.063 0.000 0.914 213 L HN 0.005 nan 8.230 nan 0.000 0.439 214 V N 0.808 120.829 119.914 0.178 0.000 2.453 214 V HA -0.165 3.955 4.120 0.000 0.000 0.247 214 V C 2.475 178.699 176.094 0.216 0.000 1.048 214 V CA 1.683 64.130 62.300 0.244 0.000 1.049 214 V CB -0.980 30.948 31.823 0.175 0.000 0.672 214 V HN 0.491 nan 8.190 nan 0.000 0.457 215 N N 0.972 119.772 118.700 0.166 0.000 2.069 215 N HA -0.144 4.596 4.740 0.000 0.000 0.191 215 N C 1.943 177.516 175.510 0.104 0.000 1.031 215 N CA 1.790 54.916 53.050 0.127 0.000 0.852 215 N CB -0.639 37.908 38.487 0.099 0.000 1.018 215 N HN 0.470 nan 8.380 nan 0.000 0.423 216 A N 0.367 123.276 122.820 0.148 0.000 1.883 216 A HA -0.236 4.084 4.320 0.000 0.000 0.217 216 A C 2.133 179.751 177.584 0.057 0.000 1.186 216 A CA 2.032 54.140 52.037 0.118 0.000 0.624 216 A CB -1.024 18.104 19.000 0.212 0.000 0.822 216 A HN 0.488 nan 8.150 nan 0.000 0.444 217 H N -0.260 118.795 119.070 -0.025 0.000 2.321 217 H HA 0.041 4.597 4.556 0.000 0.000 0.300 217 H C 2.234 177.493 175.328 -0.115 0.000 1.087 217 H CA 2.044 57.995 56.048 -0.162 0.000 1.319 217 H CB -0.282 29.264 29.762 -0.360 0.000 1.379 217 H HN 0.398 nan 8.280 nan 0.000 0.501 218 A N -0.315 122.541 122.820 0.061 0.000 1.908 218 A HA -0.196 4.124 4.320 0.000 0.000 0.218 218 A C 2.733 180.308 177.584 -0.015 0.000 1.181 218 A CA 1.541 53.614 52.037 0.059 0.000 0.627 218 A CB -1.258 17.809 19.000 0.112 0.000 0.818 218 A HN 0.654 nan 8.150 nan 0.000 0.445 219 C N -1.337 117.970 119.300 0.012 0.000 2.422 219 C HA -0.046 4.414 4.460 0.000 0.000 0.279 219 C C 2.793 177.762 174.990 -0.035 0.000 1.305 219 C CA 1.158 60.221 59.018 0.074 0.000 1.757 219 C CB -1.335 26.480 27.740 0.125 0.000 1.962 219 C HN 0.735 nan 8.230 nan 0.000 0.499 220 R N -0.091 120.293 120.500 -0.193 0.000 2.073 220 R HA -0.140 4.200 4.340 0.000 0.000 0.234 220 R C 2.271 178.366 176.300 -0.341 0.000 1.134 220 R CA 1.636 57.540 56.100 -0.328 0.000 0.952 220 R CB -0.444 29.558 30.300 -0.496 0.000 0.850 220 R HN 0.606 nan 8.270 nan 0.000 0.433 221 H N 0.557 119.496 119.070 -0.219 0.000 2.321 221 H HA -0.100 4.456 4.556 0.000 0.000 0.300 221 H C 2.210 177.526 175.328 -0.020 0.000 1.087 221 H CA 1.668 57.637 56.048 -0.132 0.000 1.319 221 H CB -0.246 29.441 29.762 -0.125 0.000 1.379 221 H HN 0.251 nan 8.280 nan 0.000 0.501 222 L N -0.168 121.021 121.223 -0.056 0.000 2.083 222 L HA -0.096 4.244 4.340 0.000 0.000 0.209 222 L C 2.769 179.480 176.870 -0.265 0.000 1.083 222 L CA 1.109 55.730 54.840 -0.365 0.000 0.752 222 L CB -0.826 40.616 42.059 -1.027 0.000 0.899 222 L HN 0.308 nan 8.230 nan 0.000 0.433 223 G N -0.126 108.648 108.800 -0.044 0.000 2.422 223 G HA2 -0.256 3.704 3.960 0.000 0.000 0.218 223 G HA3 -0.256 3.704 3.960 0.000 0.000 0.218 223 G C 1.399 176.385 174.900 0.143 0.000 1.146 223 G CA 0.549 45.806 45.100 0.263 0.000 0.769 223 G HN 0.319 nan 8.290 nan 0.000 0.547 224 N N -0.030 118.650 118.700 -0.033 0.000 2.244 224 N HA -0.074 4.666 4.740 0.000 0.000 0.183 224 N C 1.814 177.240 175.510 -0.140 0.000 1.016 224 N CA 0.762 53.737 53.050 -0.123 0.000 0.866 224 N CB -0.299 38.056 38.487 -0.220 0.000 0.980 224 N HN 0.581 nan 8.380 nan 0.000 0.430 225 W N 1.568 122.821 121.300 -0.078 0.000 2.418 225 W HA 0.098 4.758 4.660 0.000 0.000 0.292 225 W C 2.459 178.954 176.519 -0.040 0.000 1.213 225 W CA 0.991 58.288 57.345 -0.080 0.000 1.283 225 W CB -0.333 29.035 29.460 -0.152 0.000 1.119 225 W HN 0.019 nan 8.180 nan 0.000 0.542 226 A N -0.158 122.786 122.820 0.207 0.000 1.902 226 A HA -0.176 4.144 4.320 0.000 0.000 0.217 226 A C 1.983 179.655 177.584 0.147 0.000 1.181 226 A CA 2.145 54.317 52.037 0.225 0.000 0.623 226 A CB -1.073 18.153 19.000 0.376 0.000 0.818 226 A HN 0.093 nan 8.150 nan 0.000 0.443 227 V N -0.347 119.638 119.914 0.119 0.000 2.283 227 V HA -0.186 3.934 4.120 0.000 0.000 0.243 227 V C 3.070 179.148 176.094 -0.028 0.000 1.039 227 V CA 1.842 64.154 62.300 0.021 0.000 1.016 227 V CB -1.212 30.628 31.823 0.029 0.000 0.650 227 V HN 0.607 nan 8.190 nan 0.000 0.449 228 A N -0.240 122.554 122.820 -0.042 0.000 1.908 228 A HA -0.164 4.156 4.320 0.000 0.000 0.218 228 A C 2.192 179.794 177.584 0.029 0.000 1.181 228 A CA 1.836 53.837 52.037 -0.060 0.000 0.627 228 A CB -0.535 18.343 19.000 -0.202 0.000 0.818 228 A HN 0.517 nan 8.150 nan 0.000 0.445 229 L N -1.128 120.152 121.223 0.096 0.000 2.156 229 L HA -0.099 4.241 4.340 0.000 0.000 0.208 229 L C 2.678 179.610 176.870 0.102 0.000 1.095 229 L CA 1.501 56.415 54.840 0.124 0.000 0.770 229 L CB -0.850 41.307 42.059 0.163 0.000 0.914 229 L HN 0.317 nan 8.230 nan 0.000 0.439 230 T N 0.157 114.760 114.554 0.082 0.000 2.746 230 T HA -0.139 4.211 4.350 0.000 0.000 0.267 230 T C 2.054 176.853 174.700 0.165 0.000 1.039 230 T CA 1.318 63.475 62.100 0.095 0.000 1.142 230 T CB -0.139 68.729 68.868 0.000 0.000 0.866 230 T HN 0.430 nan 8.240 nan 0.000 0.444 231 A N 1.267 124.147 122.820 0.101 0.000 1.902 231 A HA -0.004 4.316 4.320 0.000 0.000 0.217 231 A C 2.203 179.903 177.584 0.194 0.000 1.181 231 A CA 1.173 53.333 52.037 0.205 0.000 0.623 231 A CB -0.799 18.259 19.000 0.096 0.000 0.818 231 A HN 0.391 nan 8.150 nan 0.000 0.443 232 L N -0.780 120.516 121.223 0.122 0.000 2.141 232 L HA -0.072 4.268 4.340 0.000 0.000 0.209 232 L C 2.198 179.127 176.870 0.098 0.000 1.094 232 L CA 1.684 56.583 54.840 0.098 0.000 0.763 232 L CB -0.657 41.450 42.059 0.079 0.000 0.908 232 L HN 0.394 nan 8.230 nan 0.000 0.437 233 L N -0.283 121.010 121.223 0.116 0.000 2.046 233 L HA -0.094 4.246 4.340 0.000 0.000 0.208 233 L C 2.482 179.417 176.870 0.107 0.000 1.077 233 L CA 2.036 56.937 54.840 0.102 0.000 0.747 233 L CB -0.958 41.170 42.059 0.116 0.000 0.896 233 L HN 0.240 nan 8.230 nan 0.000 0.432 234 A N -0.829 122.091 122.820 0.166 0.000 1.933 234 A HA -0.207 4.113 4.320 0.000 0.000 0.218 234 A C 2.130 179.746 177.584 0.053 0.000 1.175 234 A CA 1.774 53.875 52.037 0.106 0.000 0.628 234 A CB -0.607 18.478 19.000 0.141 0.000 0.814 234 A HN 0.638 nan 8.150 nan 0.000 0.444 235 E N -1.117 119.129 120.200 0.076 0.000 2.274 235 E HA -0.116 4.234 4.350 0.000 0.000 0.194 235 E C 1.598 178.218 176.600 0.033 0.000 0.996 235 E CA 0.929 57.358 56.400 0.048 0.000 0.840 235 E CB -0.231 29.503 29.700 0.058 0.000 0.772 235 E HN 0.684 nan 8.360 nan 0.000 0.491 236 C N -0.006 119.316 119.300 0.036 0.000 2.634 236 C HA 0.169 4.630 4.460 0.000 0.000 0.268 236 C C 1.700 176.697 174.990 0.012 0.000 1.322 236 C CA -0.028 59.003 59.018 0.022 0.000 1.737 236 C CB -0.172 27.579 27.740 0.019 0.000 1.976 236 C HN 0.309 nan 8.230 nan 0.000 0.547 237 L N 0.024 121.256 121.223 0.015 0.000 3.202 237 L HA 0.282 4.622 4.340 0.000 0.000 0.278 237 L C 0.264 177.129 176.870 -0.008 0.000 1.268 237 L CA -0.096 54.746 54.840 0.004 0.000 1.034 237 L CB -0.309 41.757 42.059 0.011 0.000 1.407 237 L HN 0.238 nan 8.230 nan 0.000 0.581 238 R N 0.584 121.078 120.500 -0.010 0.000 3.322 238 R HA -0.160 4.180 4.340 0.000 0.000 0.253 238 R C 0.701 176.972 176.300 -0.048 0.000 0.987 238 R CA 0.428 56.515 56.100 -0.022 0.000 0.666 238 R CB -1.927 28.362 30.300 -0.019 0.000 1.072 238 R HN 0.508 nan 8.270 nan 0.000 0.447 239 G N 0.672 109.431 108.800 -0.067 0.000 2.491 239 G HA2 0.185 4.145 3.960 0.000 0.000 0.242 239 G HA3 0.185 4.145 3.960 0.000 0.000 0.242 239 G C 0.011 174.776 174.900 -0.225 0.000 1.266 239 G CA -0.598 44.418 45.100 -0.139 0.000 0.844 239 G HN 0.255 nan 8.290 nan 0.000 0.571 240 R N 0.780 121.116 120.500 -0.274 0.000 2.202 240 R HA 0.212 4.552 4.340 0.000 0.000 0.334 240 R C 1.588 177.582 176.300 -0.510 0.000 1.036 240 R CA 0.214 56.145 56.100 -0.282 0.000 0.878 240 R CB 0.814 31.007 30.300 -0.179 0.000 1.067 240 R HN 0.715 nan 8.270 nan 0.000 0.457 241 T N -1.070 113.222 114.554 -0.436 0.000 3.035 241 T HA -0.141 4.209 4.350 0.000 0.000 0.268 241 T C 1.429 175.961 174.700 -0.280 0.000 1.109 241 T CA 0.951 62.760 62.100 -0.485 0.000 1.119 241 T CB -0.037 68.706 68.868 -0.209 0.000 0.900 241 T HN 0.732 nan 8.240 nan 0.000 0.503 242 E N 1.846 121.930 120.200 -0.192 0.000 2.204 242 E HA -0.036 4.314 4.350 0.000 0.000 0.195 242 E C 2.246 178.809 176.600 -0.061 0.000 0.990 242 E CA 0.932 57.280 56.400 -0.088 0.000 0.821 242 E CB -0.595 29.071 29.700 -0.057 0.000 0.750 242 E HN 0.609 nan 8.360 nan 0.000 0.477 243 A N 0.858 123.590 122.820 -0.146 0.000 2.067 243 A HA -0.097 4.223 4.320 0.000 0.000 0.219 243 A C 1.001 178.713 177.584 0.212 0.000 1.158 243 A CA 0.759 52.779 52.037 -0.028 0.000 0.661 243 A CB -0.628 18.319 19.000 -0.089 0.000 0.801 243 A HN 0.503 nan 8.150 nan 0.000 0.452 244 W N -0.302 121.000 121.300 0.004 0.000 3.239 244 W HA 0.608 5.268 4.660 0.000 0.000 0.368 244 W C 0.806 177.328 176.519 0.005 0.000 1.154 244 W CA -1.115 56.233 57.345 0.005 0.000 1.860 244 W CB -1.411 28.055 29.460 0.010 0.000 1.094 244 W HN 0.347 nan 8.180 nan 0.000 0.643 245 A N 0.880 123.808 122.820 0.180 0.000 2.498 245 A HA 0.420 4.740 4.320 0.000 0.000 0.239 245 A C 1.686 179.324 177.584 0.089 0.000 1.068 245 A CA 0.717 52.817 52.037 0.105 0.000 0.766 245 A CB 0.572 19.607 19.000 0.057 0.000 1.003 245 A HN 0.263 nan 8.150 nan 0.000 0.497 246 A N 2.360 125.220 122.820 0.067 0.000 1.972 246 A HA 0.134 4.454 4.320 0.000 0.000 0.219 246 A C 2.332 179.938 177.584 0.037 0.000 1.169 246 A CA 2.183 54.249 52.037 0.050 0.000 0.635 246 A CB -0.885 18.138 19.000 0.038 0.000 0.810 246 A HN 1.720 nan 8.150 nan 0.000 0.446 247 A N -0.176 122.663 122.820 0.032 0.000 1.940 247 A HA -0.068 4.252 4.320 0.000 0.000 0.219 247 A C 2.129 179.726 177.584 0.022 0.000 1.176 247 A CA 1.498 53.548 52.037 0.021 0.000 0.631 247 A CB -0.540 18.470 19.000 0.017 0.000 0.814 247 A HN 0.490 nan 8.150 nan 0.000 0.446 248 L N -0.524 120.718 121.223 0.033 0.000 2.093 248 L HA -0.148 4.192 4.340 0.000 0.000 0.208 248 L C 2.840 179.727 176.870 0.028 0.000 1.085 248 L CA 1.349 56.208 54.840 0.032 0.000 0.755 248 L CB -0.408 41.680 42.059 0.048 0.000 0.904 248 L HN 0.336 nan 8.230 nan 0.000 0.435 249 S N -0.281 115.440 115.700 0.036 0.000 2.356 249 S HA -0.189 4.281 4.470 0.000 0.000 0.223 249 S C 1.523 176.129 174.600 0.010 0.000 1.032 249 S CA 1.387 59.605 58.200 0.030 0.000 1.005 249 S CB -0.311 62.910 63.200 0.036 0.000 0.867 249 S HN 0.448 nan 8.310 nan 0.000 0.449 250 D N 1.464 121.869 120.400 0.008 0.000 2.182 250 D HA -0.046 4.594 4.640 0.000 0.000 0.201 250 D C 1.772 178.061 176.300 -0.017 0.000 0.986 250 D CA 0.749 54.746 54.000 -0.005 0.000 0.847 250 D CB -0.301 40.499 40.800 -0.000 0.000 0.942 250 D HN 0.329 nan 8.370 nan 0.000 0.467 251 L N -0.533 120.682 121.223 -0.012 0.000 2.291 251 L HA -0.012 4.328 4.340 0.000 0.000 0.214 251 L C 1.604 178.452 176.870 -0.038 0.000 1.120 251 L CA 0.589 55.417 54.840 -0.019 0.000 0.799 251 L CB 0.122 42.176 42.059 -0.008 0.000 0.925 251 L HN -0.162 nan 8.230 nan 0.000 0.446 252 R N 0.667 121.142 120.500 -0.042 0.000 2.644 252 R HA 0.185 4.525 4.340 0.000 0.000 0.271 252 R C -2.201 174.028 176.300 -0.118 0.000 1.687 252 R CA -1.342 54.707 56.100 -0.084 0.000 1.655 252 R CB 0.863 31.156 30.300 -0.011 0.000 1.285 252 R HN -0.147 nan 8.270 nan 0.000 0.643 253 P HA -0.091 nan 4.420 nan 0.000 0.297 253 P C -0.674 176.556 177.300 -0.118 0.000 1.544 253 P CA 0.269 63.303 63.100 -0.110 0.000 0.798 253 P CB -0.361 31.286 31.700 -0.089 0.000 1.757 254 H N 0.830 119.901 119.070 0.003 0.000 2.848 254 H HA 0.088 4.644 4.556 0.000 0.000 0.317 254 H C -1.298 174.043 175.328 0.022 0.000 1.046 254 H CA -1.490 54.562 56.048 0.007 0.000 1.470 254 H CB 0.490 30.251 29.762 -0.002 0.000 1.483 254 H HN 0.091 nan 8.280 nan 0.000 0.548 255 P HA -0.167 nan 4.420 nan 0.000 0.216 255 P C 1.659 179.034 177.300 0.126 0.000 1.157 255 P CA 1.745 64.908 63.100 0.106 0.000 0.880 255 P CB 0.099 31.854 31.700 0.093 0.000 0.791 256 G N -0.489 108.404 108.800 0.155 0.000 2.422 256 G HA2 -0.305 3.655 3.960 0.000 0.000 0.218 256 G HA3 -0.305 3.655 3.960 0.000 0.000 0.218 256 G C 1.673 176.679 174.900 0.176 0.000 1.146 256 G CA 0.723 45.950 45.100 0.211 0.000 0.769 256 G HN 0.330 nan 8.290 nan 0.000 0.547 257 Q N 0.089 119.954 119.800 0.108 0.000 2.083 257 Q HA -0.049 4.291 4.340 0.000 0.000 0.198 257 Q C 2.461 178.498 176.000 0.061 0.000 0.969 257 Q CA 1.465 57.302 55.803 0.057 0.000 0.838 257 Q CB -0.186 28.598 28.738 0.077 0.000 0.900 257 Q HN 0.516 nan 8.270 nan 0.000 0.436 258 K N 0.135 120.581 120.400 0.076 0.000 2.097 258 K HA -0.217 4.103 4.320 0.000 0.000 0.206 258 K C 1.617 178.250 176.600 0.055 0.000 1.049 258 K CA 1.802 58.123 56.287 0.056 0.000 0.933 258 K CB -0.117 32.411 32.500 0.048 0.000 0.717 258 K HN 0.179 nan 8.250 nan 0.000 0.442 259 D N 0.012 120.460 120.400 0.081 0.000 2.097 259 D HA -0.092 4.548 4.640 0.000 0.000 0.197 259 D C 1.722 178.080 176.300 0.097 0.000 0.984 259 D CA 1.498 55.545 54.000 0.078 0.000 0.826 259 D CB -0.061 40.792 40.800 0.088 0.000 0.973 259 D HN 0.312 nan 8.370 nan 0.000 0.460 260 A N 0.565 123.483 122.820 0.164 0.000 1.877 260 A HA 0.008 4.328 4.320 0.000 0.000 0.216 260 A C 2.390 179.937 177.584 -0.060 0.000 1.186 260 A CA 2.381 54.493 52.037 0.124 0.000 0.620 260 A CB -1.141 17.863 19.000 0.006 0.000 0.822 260 A HN 0.324 nan 8.150 nan 0.000 0.443 261 A N -0.225 122.556 122.820 -0.064 0.000 1.902 261 A HA 0.168 4.489 4.320 0.000 0.000 0.217 261 A C 2.511 180.076 177.584 -0.032 0.000 1.181 261 A CA 2.107 54.092 52.037 -0.086 0.000 0.623 261 A CB -1.018 17.990 19.000 0.013 0.000 0.818 261 A HN 1.065 nan 8.150 nan 0.000 0.443 262 A N -0.162 122.658 122.820 0.001 0.000 1.902 262 A HA -0.168 4.152 4.320 0.000 0.000 0.217 262 A C 2.239 179.819 177.584 -0.006 0.000 1.181 262 A CA 1.647 53.692 52.037 0.013 0.000 0.623 262 A CB -0.443 18.566 19.000 0.014 0.000 0.818 262 A HN 0.541 nan 8.150 nan 0.000 0.443 263 R N -0.642 119.842 120.500 -0.026 0.000 2.092 263 R HA 0.034 4.374 4.340 0.000 0.000 0.231 263 R C 2.028 178.284 176.300 -0.074 0.000 1.119 263 R CA 1.226 57.300 56.100 -0.044 0.000 0.970 263 R CB -0.433 29.845 30.300 -0.037 0.000 0.864 263 R HN 0.506 nan 8.270 nan 0.000 0.440 264 L N 0.142 121.273 121.223 -0.153 0.000 2.056 264 L HA -0.161 4.179 4.340 0.000 0.000 0.207 264 L C 2.532 179.405 176.870 0.004 0.000 1.078 264 L CA 1.402 56.077 54.840 -0.277 0.000 0.749 264 L CB -0.322 41.224 42.059 -0.855 0.000 0.901 264 L HN 0.149 nan 8.230 nan 0.000 0.433 265 R N -0.136 120.420 120.500 0.094 0.000 2.081 265 R HA -0.154 4.186 4.340 0.000 0.000 0.235 265 R C 2.403 178.766 176.300 0.104 0.000 1.131 265 R CA 1.384 57.592 56.100 0.180 0.000 0.960 265 R CB -0.551 29.833 30.300 0.140 0.000 0.856 265 R HN 0.359 nan 8.270 nan 0.000 0.436 266 A N 1.371 124.220 122.820 0.049 0.000 1.902 266 A HA -0.153 4.167 4.320 0.000 0.000 0.217 266 A C 2.066 179.665 177.584 0.025 0.000 1.181 266 A CA 1.124 53.176 52.037 0.025 0.000 0.623 266 A CB -0.286 18.713 19.000 -0.000 0.000 0.818 266 A HN 0.108 nan 8.150 nan 0.000 0.443 267 R N -0.209 120.303 120.500 0.020 0.000 2.105 267 R HA -0.119 4.221 4.340 0.000 0.000 0.239 267 R C 1.933 178.268 176.300 0.058 0.000 1.135 267 R CA 1.757 57.867 56.100 0.018 0.000 0.967 267 R CB -1.330 28.969 30.300 -0.001 0.000 0.861 267 R HN 0.679 nan 8.270 nan 0.000 0.442 268 V N -0.905 119.076 119.914 0.111 0.000 3.633 268 V HA 0.106 4.226 4.120 0.000 0.000 0.283 268 V C 0.227 176.367 176.094 0.077 0.000 1.305 268 V CA -0.553 61.818 62.300 0.118 0.000 1.153 268 V CB -0.537 31.402 31.823 0.194 0.000 0.950 268 V HN -0.081 nan 8.190 nan 0.000 0.432 269 D N 1.515 121.951 120.400 0.060 0.000 2.493 269 D HA 0.401 5.041 4.640 0.000 0.000 0.240 269 D C 1.457 177.774 176.300 0.028 0.000 1.142 269 D CA 1.966 55.989 54.000 0.039 0.000 0.872 269 D CB 0.494 41.311 40.800 0.029 0.000 1.173 269 D HN 0.580 nan 8.370 nan 0.000 0.467 270 G N 2.392 111.204 108.800 0.020 0.000 2.176 270 G HA2 -0.263 3.697 3.960 0.000 0.000 0.253 270 G HA3 -0.263 3.697 3.960 0.000 0.000 0.253 270 G C 0.456 175.366 174.900 0.017 0.000 0.979 270 G CA 0.335 45.444 45.100 0.015 0.000 0.641 270 G HN 0.787 nan 8.290 nan 0.000 0.530 271 S N 0.173 115.887 115.700 0.023 0.000 2.548 271 S HA 0.657 5.127 4.470 0.000 0.000 0.277 271 S C 1.193 175.802 174.600 0.015 0.000 1.315 271 S CA 0.833 59.047 58.200 0.024 0.000 1.050 271 S CB 1.273 64.495 63.200 0.036 0.000 0.918 271 S HN 1.604 nan 8.310 nan 0.000 0.497 272 A N 5.398 128.227 122.820 0.016 0.000 2.503 272 A HA 0.345 4.665 4.320 0.000 0.000 0.263 272 A C 1.667 179.261 177.584 0.017 0.000 1.258 272 A CA -0.361 51.685 52.037 0.015 0.000 0.936 272 A CB 0.080 19.089 19.000 0.015 0.000 1.070 272 A HN 0.723 nan 8.150 nan 0.000 0.522 273 R N -0.247 120.263 120.500 0.016 0.000 2.282 273 R HA 0.119 4.459 4.340 0.000 0.000 0.195 273 R C 0.763 177.066 176.300 0.005 0.000 0.909 273 R CA 0.898 57.006 56.100 0.014 0.000 1.039 273 R CB -0.302 30.008 30.300 0.018 0.000 1.015 273 R HN 0.489 nan 8.270 nan 0.000 0.513 274 V N -1.090 118.824 119.914 -0.001 0.000 2.997 274 V HA 0.443 4.563 4.120 0.000 0.000 0.311 274 V C 0.498 176.580 176.094 -0.021 0.000 1.066 274 V CA -0.906 61.376 62.300 -0.030 0.000 1.039 274 V CB 1.931 33.722 31.823 -0.054 0.000 1.081 274 V HN -0.260 nan 8.190 nan 0.000 0.467 275 V N 4.009 123.899 119.914 -0.039 0.000 2.364 275 V HA 0.449 4.569 4.120 0.000 0.000 0.272 275 V C 1.031 177.116 176.094 -0.016 0.000 1.036 275 V CA -0.261 62.053 62.300 0.023 0.000 0.880 275 V CB 0.723 32.554 31.823 0.014 0.000 0.991 275 V HN 0.940 nan 8.190 nan 0.000 0.460 276 R N 1.627 122.118 120.500 -0.016 0.000 2.334 276 R HA 0.190 4.530 4.340 0.000 0.000 0.212 276 R C -0.191 176.019 176.300 -0.150 0.000 0.897 276 R CA -0.209 55.818 56.100 -0.122 0.000 1.056 276 R CB 0.208 30.403 30.300 -0.175 0.000 1.046 276 R HN 0.738 nan 8.270 nan 0.000 0.513 277 H N 0.232 119.275 119.070 -0.045 0.000 2.803 277 H HA 0.073 4.629 4.556 0.000 0.000 0.330 277 H C -0.138 175.167 175.328 -0.038 0.000 1.057 277 H CA -0.120 55.907 56.048 -0.035 0.000 1.458 277 H CB 0.792 30.537 29.762 -0.030 0.000 1.470 277 H HN -0.213 nan 8.280 nan 0.000 0.560 278 V N 5.988 125.939 119.914 0.062 0.000 2.427 278 V HA -0.046 4.074 4.120 0.000 0.000 0.268 278 V C 1.890 178.008 176.094 0.041 0.000 1.046 278 V CA 0.029 62.346 62.300 0.028 0.000 0.970 278 V CB -0.266 31.563 31.823 0.011 0.000 1.001 278 V HN 0.833 nan 8.190 nan 0.000 0.476 279 I N 3.211 123.796 120.570 0.025 0.000 2.335 279 I HA -0.138 4.032 4.170 0.000 0.000 0.251 279 I C 2.084 178.208 176.117 0.011 0.000 1.129 279 I CA 1.928 63.237 61.300 0.015 0.000 1.402 279 I CB -0.274 37.727 38.000 0.002 0.000 1.069 279 I HN 0.557 nan 8.210 nan 0.000 0.424 280 A N 0.895 123.721 122.820 0.010 0.000 2.216 280 A HA -0.077 4.243 4.320 0.000 0.000 0.214 280 A C 2.112 179.702 177.584 0.010 0.000 1.160 280 A CA 1.012 53.054 52.037 0.008 0.000 0.725 280 A CB -0.509 18.494 19.000 0.006 0.000 0.784 280 A HN 0.519 nan 8.150 nan 0.000 0.472 281 E N -0.066 120.144 120.200 0.016 0.000 2.216 281 E HA -0.072 4.278 4.350 0.000 0.000 0.192 281 E C 1.072 177.681 176.600 0.015 0.000 0.988 281 E CA 0.113 56.524 56.400 0.018 0.000 0.834 281 E CB -0.151 29.567 29.700 0.030 0.000 0.772 281 E HN 0.612 nan 8.360 nan 0.000 0.479 282 R N 1.703 122.210 120.500 0.012 0.000 2.401 282 R HA 0.087 4.427 4.340 0.000 0.000 0.299 282 R C -0.361 175.939 176.300 0.001 0.000 1.064 282 R CA 0.009 56.111 56.100 0.003 0.000 1.000 282 R CB 0.412 30.709 30.300 -0.005 0.000 0.973 282 R HN -0.142 nan 8.270 nan 0.000 0.438 283 R N 5.231 125.730 120.500 -0.001 0.000 2.229 283 R HA 0.281 4.621 4.340 0.000 0.000 0.332 283 R C -0.438 175.860 176.300 -0.004 0.000 0.989 283 R CA -0.543 55.556 56.100 -0.001 0.000 0.842 283 R CB 1.119 31.419 30.300 -0.000 0.000 1.119 283 R HN 0.469 nan 8.270 nan 0.000 0.456 284 L N 2.862 124.082 121.223 -0.004 0.000 2.399 284 L HA 0.321 4.661 4.340 0.000 0.000 0.266 284 L C 0.247 177.114 176.870 -0.005 0.000 1.114 284 L CA -0.414 54.423 54.840 -0.006 0.000 0.804 284 L CB 0.727 42.782 42.059 -0.006 0.000 1.146 284 L HN 0.673 nan 8.230 nan 0.000 0.451 285 D N 0.674 121.071 120.400 -0.006 0.000 2.614 285 D HA 0.429 5.069 4.640 0.000 0.000 0.264 285 D C 0.502 176.799 176.300 -0.005 0.000 1.092 285 D CA -0.310 53.687 54.000 -0.005 0.000 1.071 285 D CB 1.270 42.067 40.800 -0.005 0.000 1.443 285 D HN 0.415 nan 8.370 nan 0.000 0.528 286 A N 0.001 122.818 122.820 -0.004 0.000 1.917 286 A HA -0.006 4.314 4.320 0.000 0.000 0.219 286 A C 2.029 179.610 177.584 -0.005 0.000 1.182 286 A CA 2.327 54.361 52.037 -0.004 0.000 0.633 286 A CB -1.677 17.320 19.000 -0.004 0.000 0.819 286 A HN 0.724 nan 8.150 nan 0.000 0.448 287 G N -1.119 107.678 108.800 -0.006 0.000 2.559 287 G HA2 -0.109 3.851 3.960 0.000 0.000 0.216 287 G HA3 -0.109 3.851 3.960 0.000 0.000 0.216 287 G C 0.913 175.808 174.900 -0.008 0.000 1.126 287 G CA 1.002 46.098 45.100 -0.007 0.000 0.778 287 G HN 0.523 nan 8.290 nan 0.000 0.543 288 D N 0.184 120.579 120.400 -0.009 0.000 2.333 288 D HA 0.030 4.670 4.640 0.000 0.000 0.208 288 D C 0.892 177.186 176.300 -0.009 0.000 0.984 288 D CA -0.067 53.927 54.000 -0.010 0.000 0.873 288 D CB 0.472 41.265 40.800 -0.011 0.000 0.935 288 D HN 0.129 nan 8.370 nan 0.000 0.521 289 I N 1.653 122.219 120.570 -0.007 0.000 2.581 289 I HA 0.301 4.471 4.170 0.000 0.000 0.285 289 I C 1.310 177.423 176.117 -0.007 0.000 1.129 289 I CA 0.680 61.976 61.300 -0.007 0.000 1.397 289 I CB 0.027 38.024 38.000 -0.005 0.000 1.399 289 I HN -0.039 nan 8.210 nan 0.000 0.537 290 G N 5.341 114.136 108.800 -0.007 0.000 2.336 290 G HA2 0.192 4.152 3.960 0.000 0.000 0.286 290 G HA3 0.192 4.152 3.960 0.000 0.000 0.286 290 G C -1.198 173.697 174.900 -0.008 0.000 1.269 290 G CA -0.654 44.442 45.100 -0.007 0.000 0.873 290 G HN 0.348 nan 8.290 nan 0.000 0.494 291 T N 1.927 116.476 114.554 -0.009 0.000 2.749 291 T HA 0.549 4.899 4.350 0.000 0.000 0.287 291 T C -0.142 174.551 174.700 -0.011 0.000 0.970 291 T CA -0.230 61.864 62.100 -0.009 0.000 0.980 291 T CB 1.279 70.142 68.868 -0.009 0.000 0.924 291 T HN 0.435 nan 8.240 nan 0.000 0.456 292 E N 3.227 123.419 120.200 -0.013 0.000 2.283 292 E HA 0.197 4.547 4.350 0.000 0.000 0.267 292 E C -1.337 175.253 176.600 -0.015 0.000 1.045 292 E CA -2.050 54.340 56.400 -0.015 0.000 0.884 292 E CB 0.724 30.413 29.700 -0.018 0.000 1.106 292 E HN 0.324 nan 8.360 nan 0.000 0.408 293 P HA -0.149 nan 4.420 nan 0.000 0.216 293 P C -0.611 176.679 177.300 -0.017 0.000 1.150 293 P CA 1.451 64.541 63.100 -0.017 0.000 0.843 293 P CB 0.302 31.991 31.700 -0.019 0.000 0.787 294 E N -1.904 118.285 120.200 -0.018 0.000 2.408 294 E HA 0.608 4.958 4.350 0.000 0.000 0.275 294 E C -0.999 175.591 176.600 -0.016 0.000 0.935 294 E CA -1.149 55.240 56.400 -0.018 0.000 0.775 294 E CB 1.850 31.538 29.700 -0.020 0.000 1.277 294 E HN -0.112 nan 8.360 nan 0.000 0.455 295 A N 0.509 123.321 122.820 -0.013 0.000 2.346 295 A HA 0.440 4.760 4.320 0.000 0.000 0.252 295 A C 1.167 178.745 177.584 -0.010 0.000 1.089 295 A CA 0.363 52.395 52.037 -0.008 0.000 0.797 295 A CB 0.019 19.017 19.000 -0.003 0.000 1.047 295 A HN 0.783 nan 8.150 nan 0.000 0.494 296 G N -0.733 108.063 108.800 -0.006 0.000 2.848 296 G HA2 0.297 4.257 3.960 0.000 0.000 0.208 296 G HA3 0.297 4.257 3.960 0.000 0.000 0.208 296 G C 0.431 175.326 174.900 -0.008 0.000 1.152 296 G CA 0.314 45.409 45.100 -0.009 0.000 0.789 296 G HN 0.711 nan 8.290 nan 0.000 0.531 297 Q N 0.090 119.891 119.800 0.002 0.000 2.423 297 Q HA 0.308 4.649 4.340 0.000 0.000 0.278 297 Q C -1.457 174.554 176.000 0.020 0.000 1.097 297 Q CA -1.030 54.779 55.803 0.010 0.000 0.809 297 Q CB 2.059 30.819 28.738 0.037 0.000 1.391 297 Q HN 0.025 nan 8.270 nan 0.000 0.428 298 D N 0.652 121.064 120.400 0.020 0.000 2.383 298 D HA 0.377 5.017 4.640 0.000 0.000 0.248 298 D C -0.182 176.179 176.300 0.101 0.000 1.170 298 D CA -0.099 53.922 54.000 0.036 0.000 0.977 298 D CB 0.871 41.680 40.800 0.016 0.000 1.120 298 D HN 0.621 nan 8.370 nan 0.000 0.481 299 A N 0.381 123.252 122.820 0.084 0.000 2.386 299 A HA 0.017 4.337 4.320 0.000 0.000 0.246 299 A C 0.625 178.362 177.584 0.255 0.000 1.089 299 A CA -0.104 51.988 52.037 0.092 0.000 0.790 299 A CB -0.072 18.941 19.000 0.022 0.000 1.042 299 A HN 0.536 nan 8.150 nan 0.000 0.497 300 Y N 0.908 121.227 120.300 0.032 0.000 2.256 300 Y HA -0.194 4.356 4.550 0.000 0.000 0.288 300 Y C 2.901 178.837 175.900 0.060 0.000 1.155 300 Y CA 1.548 59.674 58.100 0.042 0.000 1.203 300 Y CB -1.308 37.167 38.460 0.026 0.000 0.980 300 Y HN 0.740 nan 8.280 nan 0.000 0.530 301 S N -1.041 114.788 115.700 0.214 0.000 2.500 301 S HA -0.107 4.363 4.470 0.000 0.000 0.239 301 S C 1.790 176.497 174.600 0.178 0.000 0.989 301 S CA 1.098 59.390 58.200 0.153 0.000 0.951 301 S CB -0.534 62.731 63.200 0.109 0.000 0.759 301 S HN 0.458 nan 8.310 nan 0.000 0.523 302 L N -0.307 121.044 121.223 0.213 0.000 2.588 302 L HA 0.357 4.697 4.340 0.000 0.000 0.194 302 L C 2.732 179.828 176.870 0.377 0.000 1.070 302 L CA 0.221 55.241 54.840 0.299 0.000 0.852 302 L CB -0.227 41.948 42.059 0.194 0.000 1.199 302 L HN 0.164 nan 8.230 nan 0.000 0.486 303 R N -0.056 120.584 120.500 0.234 0.000 2.105 303 R HA -0.148 4.192 4.340 0.000 0.000 0.239 303 R C 1.547 177.950 176.300 0.172 0.000 1.135 303 R CA 1.850 58.060 56.100 0.184 0.000 0.967 303 R CB -0.207 30.164 30.300 0.119 0.000 0.861 303 R HN 0.396 nan 8.270 nan 0.000 0.442 304 C N 0.217 119.575 119.300 0.096 0.000 2.780 304 C HA 0.443 4.903 4.460 0.000 0.000 0.287 304 C C 2.129 177.126 174.990 0.011 0.000 1.288 304 C CA -0.390 58.620 59.018 -0.013 0.000 1.713 304 C CB -0.366 27.269 27.740 -0.176 0.000 1.955 304 C HN 0.628 nan 8.230 nan 0.000 0.613 305 A N 2.678 125.545 122.820 0.080 0.000 1.908 305 A HA -0.114 4.206 4.320 0.000 0.000 0.218 305 A C 0.005 177.498 177.584 -0.152 0.000 1.181 305 A CA 1.843 53.858 52.037 -0.035 0.000 0.627 305 A CB -1.556 17.417 19.000 -0.045 0.000 0.818 305 A HN 0.417 nan 8.150 nan 0.000 0.445 306 P HA -0.143 nan 4.420 nan 0.000 0.216 306 P C 1.262 178.484 177.300 -0.130 0.000 1.150 306 P CA 1.463 64.465 63.100 -0.162 0.000 0.837 306 P CB -0.037 31.616 31.700 -0.079 0.000 0.786 307 Q N -1.055 118.689 119.800 -0.093 0.000 2.123 307 Q HA -0.065 4.275 4.340 0.000 0.000 0.199 307 Q C 2.115 178.027 176.000 -0.146 0.000 0.966 307 Q CA 1.157 56.901 55.803 -0.098 0.000 0.845 307 Q CB -1.289 27.401 28.738 -0.080 0.000 0.907 307 Q HN 0.091 nan 8.270 nan 0.000 0.439 308 V N 0.284 120.109 119.914 -0.149 0.000 2.283 308 V HA -0.191 3.929 4.120 0.000 0.000 0.243 308 V C 2.065 178.001 176.094 -0.264 0.000 1.039 308 V CA 1.405 63.605 62.300 -0.166 0.000 1.016 308 V CB -0.555 31.200 31.823 -0.114 0.000 0.650 308 V HN 0.302 nan 8.190 nan 0.000 0.449 309 L N 0.548 121.565 121.223 -0.342 0.000 2.046 309 L HA -0.092 4.248 4.340 0.000 0.000 0.208 309 L C 2.676 179.002 176.870 -0.906 0.000 1.077 309 L CA 1.783 56.226 54.840 -0.662 0.000 0.747 309 L CB -1.242 40.416 42.059 -0.669 0.000 0.896 309 L HN 0.483 nan 8.230 nan 0.000 0.432 310 G N -0.291 108.207 108.800 -0.504 0.000 2.440 310 G HA2 -0.268 3.692 3.960 0.000 0.000 0.218 310 G HA3 -0.268 3.692 3.960 0.000 0.000 0.218 310 G C 1.761 176.555 174.900 -0.176 0.000 1.154 310 G CA 0.865 45.806 45.100 -0.264 0.000 0.767 310 G HN 0.477 nan 8.290 nan 0.000 0.552 311 A N 0.732 123.425 122.820 -0.211 0.000 1.930 311 A HA 0.210 4.530 4.320 0.000 0.000 0.217 311 A C 2.677 180.193 177.584 -0.113 0.000 1.175 311 A CA 1.962 53.896 52.037 -0.172 0.000 0.627 311 A CB -0.903 17.986 19.000 -0.186 0.000 0.815 311 A HN 0.502 nan 8.150 nan 0.000 0.443 312 G N -0.921 107.774 108.800 -0.176 0.000 2.402 312 G HA2 -0.118 3.842 3.960 0.000 0.000 0.216 312 G HA3 -0.118 3.842 3.960 0.000 0.000 0.216 312 G C 1.278 176.255 174.900 0.128 0.000 1.162 312 G CA 1.047 46.093 45.100 -0.091 0.000 0.777 312 G HN 0.378 nan 8.290 nan 0.000 0.539 313 F N 1.725 121.681 119.950 0.011 0.000 2.171 313 F HA 0.028 4.555 4.527 0.000 0.000 0.300 313 F C 2.306 178.133 175.800 0.045 0.000 1.090 313 F CA 0.396 58.414 58.000 0.031 0.000 1.293 313 F CB -0.627 38.385 39.000 0.019 0.000 1.013 313 F HN 0.120 nan 8.300 nan 0.000 0.486 314 D N -0.578 119.949 120.400 0.211 0.000 2.178 314 D HA -0.096 4.544 4.640 0.000 0.000 0.202 314 D C 2.199 178.609 176.300 0.183 0.000 0.974 314 D CA 1.366 55.458 54.000 0.154 0.000 0.841 314 D CB -0.310 40.529 40.800 0.065 0.000 0.953 314 D HN 0.207 nan 8.370 nan 0.000 0.478 315 T N 1.199 115.853 114.554 0.168 0.000 2.737 315 T HA -0.114 4.236 4.350 0.000 0.000 0.265 315 T C 1.918 176.786 174.700 0.280 0.000 1.038 315 T CA 0.356 62.595 62.100 0.232 0.000 1.144 315 T CB -0.236 68.720 68.868 0.147 0.000 0.866 315 T HN 0.037 nan 8.240 nan 0.000 0.434 316 L N 1.564 122.912 121.223 0.208 0.000 2.083 316 L HA 0.057 4.397 4.340 0.000 0.000 0.209 316 L C 2.574 179.565 176.870 0.202 0.000 1.083 316 L CA 1.750 56.690 54.840 0.167 0.000 0.752 316 L CB -1.033 41.110 42.059 0.140 0.000 0.899 316 L HN 0.229 nan 8.230 nan 0.000 0.433 317 A N -1.276 121.664 122.820 0.201 0.000 1.902 317 A HA -0.280 4.040 4.320 0.000 0.000 0.217 317 A C 2.131 179.855 177.584 0.234 0.000 1.181 317 A CA 1.745 53.890 52.037 0.179 0.000 0.623 317 A CB -1.441 17.657 19.000 0.163 0.000 0.818 317 A HN 0.730 nan 8.150 nan 0.000 0.443 318 W N 0.366 121.726 121.300 0.100 0.000 2.379 318 W HA -0.181 4.479 4.660 0.000 0.000 0.307 318 W C 2.256 178.844 176.519 0.114 0.000 1.200 318 W CA 1.884 59.284 57.345 0.091 0.000 1.297 318 W CB -0.709 28.798 29.460 0.078 0.000 1.140 318 W HN 0.632 nan 8.180 nan 0.000 0.507 319 H N 0.087 119.101 119.070 -0.092 0.000 2.319 319 H HA -0.166 4.390 4.556 0.000 0.000 0.299 319 H C 1.349 176.564 175.328 -0.188 0.000 1.092 319 H CA 2.354 58.242 56.048 -0.266 0.000 1.302 319 H CB -0.507 29.210 29.762 -0.075 0.000 1.373 319 H HN 0.055 nan 8.280 nan 0.000 0.497 320 D N 0.260 120.705 120.400 0.074 0.000 2.178 320 D HA -0.071 4.569 4.640 0.000 0.000 0.202 320 D C 2.591 178.856 176.300 -0.058 0.000 0.974 320 D CA 0.552 54.566 54.000 0.023 0.000 0.841 320 D CB -0.189 40.670 40.800 0.099 0.000 0.953 320 D HN 0.383 nan 8.370 nan 0.000 0.478 321 R N 0.267 120.741 120.500 -0.043 0.000 2.073 321 R HA -0.058 4.282 4.340 0.000 0.000 0.234 321 R C 2.330 178.568 176.300 -0.102 0.000 1.134 321 R CA 0.785 56.869 56.100 -0.027 0.000 0.952 321 R CB -0.440 29.892 30.300 0.053 0.000 0.850 321 R HN 0.097 nan 8.270 nan 0.000 0.433 322 V N 1.408 121.179 119.914 -0.239 0.000 2.358 322 V HA -0.216 3.904 4.120 0.000 0.000 0.246 322 V C 2.218 178.164 176.094 -0.246 0.000 1.047 322 V CA 1.361 63.502 62.300 -0.265 0.000 1.035 322 V CB -0.439 31.110 31.823 -0.456 0.000 0.658 322 V HN 0.234 nan 8.190 nan 0.000 0.452 323 L N 0.080 121.116 121.223 -0.313 0.000 2.083 323 L HA -0.135 4.205 4.340 0.000 0.000 0.209 323 L C 2.442 179.223 176.870 -0.149 0.000 1.083 323 L CA 2.355 57.036 54.840 -0.265 0.000 0.752 323 L CB -1.017 40.831 42.059 -0.350 0.000 0.899 323 L HN 0.333 nan 8.230 nan 0.000 0.433 324 T N -0.046 114.445 114.554 -0.105 0.000 2.720 324 T HA -0.170 4.180 4.350 0.000 0.000 0.268 324 T C 1.971 176.649 174.700 -0.038 0.000 1.037 324 T CA 2.021 64.093 62.100 -0.046 0.000 1.144 324 T CB -0.305 68.578 68.868 0.026 0.000 0.864 324 T HN 0.327 nan 8.240 nan 0.000 0.444 325 I N 0.671 121.209 120.570 -0.054 0.000 2.179 325 I HA -0.149 4.021 4.170 0.000 0.000 0.242 325 I C 2.738 178.800 176.117 -0.091 0.000 1.088 325 I CA 1.311 62.576 61.300 -0.059 0.000 1.357 325 I CB -0.336 37.607 38.000 -0.094 0.000 1.051 325 I HN 0.205 nan 8.210 nan 0.000 0.409 326 E N 1.304 121.430 120.200 -0.124 0.000 2.085 326 E HA -0.261 4.089 4.350 0.000 0.000 0.194 326 E C 2.021 178.568 176.600 -0.088 0.000 0.994 326 E CA 1.318 57.648 56.400 -0.117 0.000 0.801 326 E CB -0.283 29.345 29.700 -0.121 0.000 0.743 326 E HN 0.303 nan 8.360 nan 0.000 0.453 327 L N 0.965 122.134 121.223 -0.090 0.000 2.046 327 L HA -0.097 4.243 4.340 0.000 0.000 0.208 327 L C 1.232 178.050 176.870 -0.086 0.000 1.077 327 L CA 1.838 56.626 54.840 -0.086 0.000 0.747 327 L CB -0.450 41.550 42.059 -0.098 0.000 0.896 327 L HN 0.152 nan 8.230 nan 0.000 0.432 328 N N -0.090 118.559 118.700 -0.086 0.000 2.322 328 N HA 0.183 4.923 4.740 0.000 0.000 0.194 328 N C 0.314 175.803 175.510 -0.034 0.000 1.126 328 N CA 0.622 53.633 53.050 -0.065 0.000 0.845 328 N CB 0.212 38.673 38.487 -0.042 0.000 0.976 328 N HN 0.414 nan 8.380 nan 0.000 0.475 329 A N 0.255 123.046 122.820 -0.047 0.000 2.248 329 A HA 0.572 4.892 4.320 0.000 0.000 0.316 329 A C 0.018 177.579 177.584 -0.039 0.000 1.101 329 A CA -0.401 51.608 52.037 -0.046 0.000 0.875 329 A CB 1.047 20.004 19.000 -0.071 0.000 1.207 329 A HN -0.036 nan 8.150 nan 0.000 0.504 330 V N 1.384 121.276 119.914 -0.037 0.000 2.311 330 V HA 0.280 4.400 4.120 0.000 0.000 0.275 330 V C 0.901 176.973 176.094 -0.036 0.000 1.022 330 V CA 0.400 62.683 62.300 -0.028 0.000 0.830 330 V CB 0.558 32.367 31.823 -0.024 0.000 1.012 330 V HN 1.032 nan 8.190 nan 0.000 0.452 331 T N -0.693 113.850 114.554 -0.019 0.000 3.206 331 T HA 0.192 4.542 4.350 0.000 0.000 0.253 331 T C 0.187 174.911 174.700 0.039 0.000 1.042 331 T CA -0.529 61.566 62.100 -0.007 0.000 0.931 331 T CB -0.353 68.521 68.868 0.011 0.000 1.029 331 T HN 0.534 nan 8.240 nan 0.000 0.564 332 D N 2.467 122.881 120.400 0.022 0.000 2.357 332 D HA 0.498 5.138 4.640 0.000 0.000 0.242 332 D C -0.041 176.281 176.300 0.038 0.000 1.153 332 D CA 0.087 54.114 54.000 0.045 0.000 0.918 332 D CB 0.449 41.257 40.800 0.014 0.000 1.181 332 D HN 0.348 nan 8.370 nan 0.000 0.435 333 N N -0.011 118.740 118.700 0.085 0.000 2.600 333 N HA 0.255 4.995 4.740 0.000 0.000 0.272 333 N C -2.929 172.622 175.510 0.069 0.000 1.095 333 N CA -1.253 51.829 53.050 0.053 0.000 0.993 333 N CB 1.741 40.393 38.487 0.275 0.000 1.603 333 N HN 0.022 nan 8.380 nan 0.000 0.526 334 P HA 0.318 nan 4.420 nan 0.000 0.286 334 P C -0.910 176.086 177.300 -0.507 0.000 1.293 334 P CA -0.406 62.432 63.100 -0.436 0.000 0.770 334 P CB 0.846 32.096 31.700 -0.750 0.000 1.206 335 V N -4.017 115.505 119.914 -0.653 0.000 3.007 335 V HA 0.604 4.724 4.120 0.000 0.000 0.311 335 V C -1.064 174.581 176.094 -0.749 0.000 1.120 335 V CA -0.944 61.004 62.300 -0.587 0.000 0.980 335 V CB 1.657 33.328 31.823 -0.254 0.000 1.033 335 V HN 0.216 nan 8.190 nan 0.000 0.429 336 F N 2.411 122.348 119.950 -0.022 0.000 2.325 336 F HA 0.613 5.140 4.527 0.000 0.000 0.369 336 F C -2.353 173.443 175.800 -0.007 0.000 1.095 336 F CA -2.585 55.409 58.000 -0.009 0.000 1.082 336 F CB 1.245 40.245 39.000 0.001 0.000 1.289 336 F HN 0.287 nan 8.300 nan 0.000 0.462 337 P HA -0.020 nan 4.420 nan 0.000 0.256 337 P C -1.979 175.367 177.300 0.076 0.000 1.173 337 P CA -0.568 62.568 63.100 0.059 0.000 0.768 337 P CB 0.423 32.146 31.700 0.038 0.000 0.758 338 P HA -0.188 nan 4.420 nan 0.000 0.219 338 P C 0.809 178.131 177.300 0.036 0.000 1.146 338 P CA 1.351 64.480 63.100 0.048 0.000 0.808 338 P CB -0.113 31.608 31.700 0.035 0.000 0.779 339 D N -1.759 118.660 120.400 0.031 0.000 2.348 339 D HA 0.008 4.648 4.640 0.000 0.000 0.216 339 D C 1.482 177.800 176.300 0.029 0.000 0.970 339 D CA 1.005 55.019 54.000 0.024 0.000 0.889 339 D CB -1.213 39.598 40.800 0.018 0.000 0.912 339 D HN 0.189 nan 8.370 nan 0.000 0.524 340 G N -0.039 108.785 108.800 0.040 0.000 2.162 340 G HA2 -0.385 3.575 3.960 0.000 0.000 0.260 340 G HA3 -0.385 3.575 3.960 0.000 0.000 0.260 340 G C 1.280 176.204 174.900 0.040 0.000 0.976 340 G CA 1.140 46.267 45.100 0.044 0.000 0.655 340 G HN 0.645 nan 8.290 nan 0.000 0.533 341 S N -1.213 114.508 115.700 0.035 0.000 2.359 341 S HA 0.110 4.580 4.470 0.000 0.000 0.223 341 S C 1.285 175.906 174.600 0.036 0.000 1.039 341 S CA 2.147 60.364 58.200 0.029 0.000 1.042 341 S CB -0.620 62.593 63.200 0.022 0.000 0.915 341 S HN 2.062 nan 8.310 nan 0.000 0.439 342 V N -3.320 116.621 119.914 0.045 0.000 3.040 342 V HA 0.571 4.691 4.120 0.000 0.000 0.312 342 V C -2.417 173.727 176.094 0.084 0.000 1.115 342 V CA -2.222 60.112 62.300 0.056 0.000 0.998 342 V CB 1.225 33.076 31.823 0.047 0.000 1.042 342 V HN -0.089 nan 8.190 nan 0.000 0.433 343 P HA 0.168 nan 4.420 nan 0.000 0.215 343 P C 0.290 177.730 177.300 0.232 0.000 1.153 343 P CA 2.284 65.478 63.100 0.156 0.000 0.853 343 P CB 0.155 31.944 31.700 0.147 0.000 0.788 344 A N -2.218 120.687 122.820 0.142 0.000 2.597 344 A HA 0.620 4.940 4.320 0.000 0.000 0.292 344 A C -1.918 175.642 177.584 -0.040 0.000 1.057 344 A CA -0.562 51.476 52.037 0.000 0.000 0.674 344 A CB 0.364 19.333 19.000 -0.051 0.000 1.278 344 A HN -0.052 nan 8.150 nan 0.000 0.416 345 L N 1.122 122.233 121.223 -0.186 0.000 2.346 345 L HA 0.602 4.942 4.340 0.000 0.000 0.274 345 L C -1.036 175.688 176.870 -0.243 0.000 1.007 345 L CA -0.686 54.089 54.840 -0.108 0.000 0.818 345 L CB 2.153 44.152 42.059 -0.100 0.000 1.284 345 L HN 0.835 nan 8.230 nan 0.000 0.424 346 H N 1.242 120.251 119.070 -0.102 0.000 2.539 346 H HA 0.728 5.284 4.556 0.000 0.000 0.332 346 H C 0.171 175.438 175.328 -0.101 0.000 1.031 346 H CA -0.140 55.848 56.048 -0.100 0.000 1.206 346 H CB 1.892 31.595 29.762 -0.098 0.000 1.446 346 H HN 0.740 nan 8.280 nan 0.000 0.496 347 G N 0.771 109.541 108.800 -0.049 0.000 2.896 347 G HA2 0.454 4.414 3.960 0.000 0.000 0.247 347 G HA3 0.454 4.414 3.960 0.000 0.000 0.247 347 G C -0.233 174.511 174.900 -0.261 0.000 1.187 347 G CA -0.314 44.716 45.100 -0.118 0.000 0.837 347 G HN 0.648 nan 8.290 nan 0.000 0.559 348 G N 0.021 108.543 108.800 -0.462 0.000 4.803 348 G HA2 0.282 4.242 3.960 0.000 0.000 0.266 348 G HA3 0.282 4.242 3.960 0.000 0.000 0.266 348 G C 0.221 174.513 174.900 -1.013 0.000 1.111 348 G CA -0.149 44.296 45.100 -1.093 0.000 0.874 348 G HN 0.260 nan 8.290 nan 0.000 0.555 349 N N 0.883 119.207 118.700 -0.627 0.000 2.609 349 N HA -0.040 4.700 4.740 0.000 0.000 0.190 349 N C 1.483 176.845 175.510 -0.246 0.000 1.157 349 N CA 0.322 53.169 53.050 -0.338 0.000 0.918 349 N CB -0.148 38.227 38.487 -0.186 0.000 0.978 349 N HN 0.627 nan 8.380 nan 0.000 0.448 350 F N -1.247 118.687 119.950 -0.026 0.000 2.789 350 F HA 0.330 4.857 4.527 0.000 0.000 0.300 350 F C 0.823 176.621 175.800 -0.003 0.000 1.132 350 F CA -0.802 57.188 58.000 -0.017 0.000 1.404 350 F CB -0.728 38.262 39.000 -0.017 0.000 1.114 350 F HN -0.165 nan 8.300 nan 0.000 0.584 351 M N 2.803 122.422 119.600 0.032 0.000 2.429 351 M HA 0.342 4.822 4.480 0.000 0.000 0.334 351 M C 1.013 177.370 176.300 0.095 0.000 1.560 351 M CA -0.647 54.729 55.300 0.126 0.000 1.291 351 M CB 0.039 32.635 32.600 -0.006 0.000 1.754 351 M HN 0.241 nan 8.290 nan 0.000 0.456 352 G N 3.447 112.316 108.800 0.115 0.000 3.397 352 G HA2 0.005 3.965 3.960 0.000 0.000 0.248 352 G HA3 0.005 3.965 3.960 0.000 0.000 0.248 352 G C 0.703 175.643 174.900 0.068 0.000 1.284 352 G CA -0.156 44.994 45.100 0.083 0.000 1.570 352 G HN 0.816 nan 8.290 nan 0.000 0.587 353 Q N -0.066 119.773 119.800 0.065 0.000 2.167 353 Q HA -0.085 4.255 4.340 0.000 0.000 0.202 353 Q C 1.926 177.896 176.000 -0.050 0.000 0.970 353 Q CA 1.401 57.207 55.803 0.004 0.000 0.855 353 Q CB -0.106 28.614 28.738 -0.031 0.000 0.911 353 Q HN 0.716 nan 8.270 nan 0.000 0.438 354 H N -1.760 117.291 119.070 -0.032 0.000 2.326 354 H HA -0.049 4.507 4.556 0.000 0.000 0.301 354 H C 1.780 177.033 175.328 -0.125 0.000 1.081 354 H CA 1.693 57.697 56.048 -0.074 0.000 1.334 354 H CB 0.035 29.739 29.762 -0.096 0.000 1.385 354 H HN 0.068 nan 8.280 nan 0.000 0.504 355 V N 0.458 120.380 119.914 0.014 0.000 2.548 355 V HA -0.194 3.926 4.120 0.000 0.000 0.249 355 V C 2.469 178.554 176.094 -0.014 0.000 1.055 355 V CA 1.333 63.605 62.300 -0.046 0.000 1.065 355 V CB -0.858 30.949 31.823 -0.026 0.000 0.681 355 V HN 0.561 nan 8.190 nan 0.000 0.462 356 A N 0.085 122.909 122.820 0.007 0.000 1.858 356 A HA -0.159 4.161 4.320 0.000 0.000 0.216 356 A C 2.201 179.801 177.584 0.026 0.000 1.190 356 A CA 1.806 53.856 52.037 0.023 0.000 0.617 356 A CB -0.532 18.483 19.000 0.025 0.000 0.827 356 A HN 0.477 nan 8.150 nan 0.000 0.443 357 L N -0.136 121.092 121.223 0.009 0.000 2.056 357 L HA -0.150 4.190 4.340 0.000 0.000 0.207 357 L C 2.985 179.907 176.870 0.087 0.000 1.078 357 L CA 1.828 56.704 54.840 0.060 0.000 0.749 357 L CB -0.943 41.162 42.059 0.077 0.000 0.901 357 L HN 0.667 nan 8.230 nan 0.000 0.433 358 T N -4.586 109.921 114.554 -0.079 0.000 2.904 358 T HA -0.087 4.263 4.350 0.000 0.000 0.267 358 T C 2.009 176.791 174.700 0.137 0.000 1.059 358 T CA 1.228 63.232 62.100 -0.161 0.000 1.137 358 T CB -0.203 68.352 68.868 -0.522 0.000 0.879 358 T HN 0.124 nan 8.240 nan 0.000 0.467 359 S N 1.639 117.414 115.700 0.125 0.000 2.368 359 S HA -0.083 4.387 4.470 0.000 0.000 0.224 359 S C 1.840 176.502 174.600 0.103 0.000 1.029 359 S CA 1.136 59.428 58.200 0.153 0.000 0.988 359 S CB -0.499 62.769 63.200 0.113 0.000 0.838 359 S HN 0.509 nan 8.310 nan 0.000 0.462 360 D N 1.698 122.154 120.400 0.093 0.000 2.117 360 D HA 0.008 4.648 4.640 0.000 0.000 0.197 360 D C 2.109 178.462 176.300 0.089 0.000 0.987 360 D CA 1.196 55.243 54.000 0.079 0.000 0.829 360 D CB -0.406 40.436 40.800 0.070 0.000 0.961 360 D HN 0.372 nan 8.370 nan 0.000 0.460 361 A N 0.634 123.542 122.820 0.147 0.000 1.898 361 A HA -0.118 4.202 4.320 0.000 0.000 0.216 361 A C 2.135 179.790 177.584 0.119 0.000 1.181 361 A CA 0.899 53.040 52.037 0.174 0.000 0.620 361 A CB -0.658 18.564 19.000 0.370 0.000 0.819 361 A HN 0.245 nan 8.150 nan 0.000 0.442 362 L N -0.133 121.154 121.223 0.107 0.000 2.046 362 L HA -0.040 4.300 4.340 0.000 0.000 0.208 362 L C 2.628 179.486 176.870 -0.021 0.000 1.077 362 L CA 2.129 56.976 54.840 0.013 0.000 0.747 362 L CB -0.839 41.143 42.059 -0.128 0.000 0.896 362 L HN 0.338 nan 8.230 nan 0.000 0.432 363 A N -1.527 121.294 122.820 0.002 0.000 1.908 363 A HA -0.222 4.098 4.320 0.000 0.000 0.218 363 A C 2.270 179.830 177.584 -0.040 0.000 1.181 363 A CA 2.371 54.402 52.037 -0.011 0.000 0.627 363 A CB -1.232 17.779 19.000 0.018 0.000 0.818 363 A HN 0.517 nan 8.150 nan 0.000 0.445 364 T N 0.183 114.723 114.554 -0.023 0.000 2.746 364 T HA -0.006 4.344 4.350 0.000 0.000 0.267 364 T C 2.232 176.878 174.700 -0.091 0.000 1.039 364 T CA 1.580 63.654 62.100 -0.043 0.000 1.142 364 T CB -0.447 68.411 68.868 -0.017 0.000 0.866 364 T HN 0.608 nan 8.240 nan 0.000 0.444 365 A N 0.919 123.687 122.820 -0.087 0.000 1.902 365 A HA -0.046 4.274 4.320 0.000 0.000 0.217 365 A C 2.576 179.992 177.584 -0.280 0.000 1.181 365 A CA 1.288 53.240 52.037 -0.140 0.000 0.623 365 A CB -1.008 17.946 19.000 -0.077 0.000 0.818 365 A HN 0.353 nan 8.150 nan 0.000 0.443 366 V N -0.263 119.477 119.914 -0.290 0.000 2.343 366 V HA -0.221 3.899 4.120 0.000 0.000 0.247 366 V C 2.731 178.504 176.094 -0.536 0.000 1.051 366 V CA 2.457 64.444 62.300 -0.522 0.000 1.036 366 V CB -1.138 30.547 31.823 -0.231 0.000 0.654 366 V HN 0.615 nan 8.190 nan 0.000 0.451 367 T N -0.261 114.123 114.554 -0.283 0.000 2.821 367 T HA -0.136 4.214 4.350 0.000 0.000 0.267 367 T C 1.938 176.500 174.700 -0.229 0.000 1.046 367 T CA 1.483 63.458 62.100 -0.209 0.000 1.139 367 T CB -0.127 68.675 68.868 -0.110 0.000 0.871 367 T HN 0.282 nan 8.240 nan 0.000 0.454 368 V N 1.224 121.000 119.914 -0.230 0.000 2.295 368 V HA -0.097 4.023 4.120 0.000 0.000 0.246 368 V C 2.386 178.331 176.094 -0.248 0.000 1.049 368 V CA 1.349 63.533 62.300 -0.194 0.000 1.024 368 V CB -0.552 31.172 31.823 -0.164 0.000 0.648 368 V HN 0.321 nan 8.190 nan 0.000 0.447 369 L N 0.309 121.288 121.223 -0.408 0.000 2.141 369 L HA -0.036 4.304 4.340 0.000 0.000 0.209 369 L C 2.519 179.153 176.870 -0.393 0.000 1.094 369 L CA 2.007 56.592 54.840 -0.426 0.000 0.763 369 L CB -1.106 40.575 42.059 -0.629 0.000 0.908 369 L HN 0.286 nan 8.230 nan 0.000 0.437 370 A N -0.606 121.854 122.820 -0.601 0.000 1.969 370 A HA -0.028 4.292 4.320 0.000 0.000 0.218 370 A C 2.423 179.972 177.584 -0.059 0.000 1.169 370 A CA 1.384 53.263 52.037 -0.263 0.000 0.635 370 A CB -1.169 17.699 19.000 -0.220 0.000 0.810 370 A HN 0.414 nan 8.150 nan 0.000 0.445 371 G N -0.007 108.732 108.800 -0.101 0.000 2.422 371 G HA2 -0.132 3.828 3.960 0.000 0.000 0.218 371 G HA3 -0.132 3.828 3.960 0.000 0.000 0.218 371 G C 1.476 176.373 174.900 -0.005 0.000 1.146 371 G CA 1.185 46.261 45.100 -0.039 0.000 0.769 371 G HN 0.504 nan 8.290 nan 0.000 0.547 372 L N 1.450 122.665 121.223 -0.014 0.000 1.994 372 L HA 0.132 4.472 4.340 0.000 0.000 0.208 372 L C 3.028 179.938 176.870 0.067 0.000 1.071 372 L CA 2.363 57.218 54.840 0.025 0.000 0.745 372 L CB -0.826 41.240 42.059 0.011 0.000 0.892 372 L HN 0.215 nan 8.230 nan 0.000 0.431 373 A N -0.866 122.018 122.820 0.107 0.000 1.902 373 A HA -0.236 4.084 4.320 0.000 0.000 0.217 373 A C 2.330 179.973 177.584 0.097 0.000 1.181 373 A CA 1.760 53.880 52.037 0.140 0.000 0.623 373 A CB -0.796 18.350 19.000 0.243 0.000 0.818 373 A HN 0.610 nan 8.150 nan 0.000 0.443 374 E N -0.039 120.210 120.200 0.082 0.000 2.077 374 E HA -0.192 4.158 4.350 0.000 0.000 0.193 374 E C 2.040 178.672 176.600 0.054 0.000 0.989 374 E CA 0.852 57.290 56.400 0.064 0.000 0.800 374 E CB -0.212 29.518 29.700 0.051 0.000 0.746 374 E HN 0.384 nan 8.360 nan 0.000 0.452 375 R N 0.329 120.859 120.500 0.050 0.000 2.148 375 R HA -0.030 4.310 4.340 0.000 0.000 0.223 375 R C 2.350 178.680 176.300 0.050 0.000 1.088 375 R CA 0.757 56.884 56.100 0.045 0.000 0.985 375 R CB -0.340 29.985 30.300 0.041 0.000 0.880 375 R HN 0.401 nan 8.270 nan 0.000 0.451 376 Q N 0.022 119.857 119.800 0.059 0.000 2.119 376 Q HA -0.027 4.313 4.340 0.000 0.000 0.201 376 Q C 2.169 178.195 176.000 0.042 0.000 0.972 376 Q CA 1.077 56.915 55.803 0.059 0.000 0.847 376 Q CB -0.061 28.721 28.738 0.074 0.000 0.903 376 Q HN 0.302 nan 8.270 nan 0.000 0.433 377 I N 0.636 121.231 120.570 0.041 0.000 2.202 377 I HA -0.252 3.918 4.170 0.000 0.000 0.242 377 I C 2.421 178.567 176.117 0.049 0.000 1.091 377 I CA 0.931 62.249 61.300 0.030 0.000 1.368 377 I CB -0.416 37.606 38.000 0.036 0.000 1.058 377 I HN 0.141 nan 8.210 nan 0.000 0.410 378 A N 0.754 123.609 122.820 0.058 0.000 1.978 378 A HA -0.250 4.070 4.320 0.000 0.000 0.220 378 A C 2.435 180.044 177.584 0.041 0.000 1.170 378 A CA 1.939 54.016 52.037 0.067 0.000 0.636 378 A CB -0.619 18.416 19.000 0.059 0.000 0.810 378 A HN 0.414 nan 8.150 nan 0.000 0.448 379 R N -1.020 119.496 120.500 0.027 0.000 2.066 379 R HA 0.016 4.356 4.340 0.000 0.000 0.224 379 R C 2.023 178.319 176.300 -0.007 0.000 1.122 379 R CA 1.235 57.340 56.100 0.009 0.000 0.974 379 R CB -0.419 29.892 30.300 0.018 0.000 0.871 379 R HN 0.373 nan 8.270 nan 0.000 0.435 380 L N 1.373 122.596 121.223 0.001 0.000 2.127 380 L HA -0.119 4.221 4.340 0.000 0.000 0.211 380 L C 1.944 178.795 176.870 -0.032 0.000 1.089 380 L CA 2.459 57.291 54.840 -0.014 0.000 0.757 380 L CB -0.479 41.570 42.059 -0.016 0.000 0.899 380 L HN 0.465 nan 8.230 nan 0.000 0.434 381 T N -4.323 110.218 114.554 -0.020 0.000 3.107 381 T HA 0.033 4.383 4.350 0.000 0.000 0.249 381 T C 0.715 175.248 174.700 -0.279 0.000 1.096 381 T CA -0.087 61.986 62.100 -0.045 0.000 1.012 381 T CB -0.444 68.524 68.868 0.168 0.000 0.977 381 T HN 0.258 nan 8.240 nan 0.000 0.527 382 D N 2.590 122.877 120.400 -0.189 0.000 2.347 382 D HA 0.081 4.721 4.640 0.000 0.000 0.235 382 D C 1.316 177.499 176.300 -0.196 0.000 1.149 382 D CA -0.359 53.500 54.000 -0.235 0.000 0.850 382 D CB 1.305 42.047 40.800 -0.096 0.000 1.061 382 D HN 0.603 nan 8.370 nan 0.000 0.487 383 E N 3.279 123.330 120.200 -0.249 0.000 2.267 383 E HA -0.212 4.138 4.350 0.000 0.000 0.197 383 E C 1.044 177.593 176.600 -0.084 0.000 0.998 383 E CA 0.833 57.147 56.400 -0.143 0.000 0.830 383 E CB 0.065 29.689 29.700 -0.126 0.000 0.751 383 E HN 0.375 nan 8.360 nan 0.000 0.491 384 R N 0.008 120.461 120.500 -0.078 0.000 2.240 384 R HA 0.175 4.515 4.340 0.000 0.000 0.203 384 R C 1.733 178.008 176.300 -0.041 0.000 1.011 384 R CA 0.553 56.624 56.100 -0.047 0.000 1.007 384 R CB 0.184 30.462 30.300 -0.036 0.000 0.911 384 R HN 0.275 nan 8.270 nan 0.000 0.468 385 L N 0.048 121.242 121.223 -0.048 0.000 2.781 385 L HA 0.123 4.463 4.340 0.000 0.000 0.245 385 L C 0.579 177.430 176.870 -0.032 0.000 1.118 385 L CA -0.104 54.715 54.840 -0.035 0.000 0.918 385 L CB 0.187 42.228 42.059 -0.030 0.000 1.246 385 L HN 0.119 nan 8.230 nan 0.000 0.526 386 N N 0.943 119.617 118.700 -0.043 0.000 2.362 386 N HA -0.033 4.707 4.740 0.000 0.000 0.211 386 N C 0.027 175.521 175.510 -0.027 0.000 1.170 386 N CA -0.334 52.695 53.050 -0.035 0.000 0.828 386 N CB -0.197 38.262 38.487 -0.047 0.000 1.034 386 N HN 0.078 nan 8.380 nan 0.000 0.475 387 R N -0.494 119.991 120.500 -0.025 0.000 3.188 387 R HA -0.174 4.166 4.340 0.000 0.000 0.247 387 R C 0.813 177.102 176.300 -0.019 0.000 0.918 387 R CA 0.502 56.590 56.100 -0.021 0.000 0.629 387 R CB -2.174 28.116 30.300 -0.017 0.000 1.087 387 R HN 0.608 nan 8.270 nan 0.000 0.462 388 G N -1.127 107.661 108.800 -0.021 0.000 2.195 388 G HA2 -0.289 3.671 3.960 0.000 0.000 0.224 388 G HA3 -0.289 3.671 3.960 0.000 0.000 0.224 388 G C 0.262 175.150 174.900 -0.019 0.000 0.990 388 G CA -0.004 45.085 45.100 -0.017 0.000 0.639 388 G HN 0.250 nan 8.290 nan 0.000 0.514 389 L N 1.562 122.771 121.223 -0.025 0.000 2.453 389 L HA 0.426 4.766 4.340 0.000 0.000 0.261 389 L C -1.645 175.207 176.870 -0.029 0.000 1.179 389 L CA -1.986 52.838 54.840 -0.026 0.000 0.813 389 L CB 0.588 42.633 42.059 -0.024 0.000 1.110 389 L HN -0.080 nan 8.230 nan 0.000 0.466 390 P HA 0.066 nan 4.420 nan 0.000 0.269 390 P C -2.480 174.839 177.300 0.032 0.000 1.209 390 P CA -0.991 62.103 63.100 -0.010 0.000 0.776 390 P CB -0.134 31.461 31.700 -0.175 0.000 0.876 391 P HA -0.022 nan 4.420 nan 0.000 0.263 391 P C -0.234 177.080 177.300 0.024 0.000 1.195 391 P CA 0.385 63.401 63.100 -0.140 0.000 0.762 391 P CB -0.193 31.466 31.700 -0.069 0.000 0.799 392 F N 1.611 121.659 119.950 0.164 0.000 3.069 392 F HA -0.245 4.282 4.527 0.000 0.000 0.285 392 F C 1.313 177.288 175.800 0.292 0.000 0.827 392 F CA 0.343 58.465 58.000 0.203 0.000 1.108 392 F CB -2.658 36.450 39.000 0.181 0.000 1.252 392 F HN 0.276 nan 8.300 nan 0.000 0.483 393 L N -1.658 119.729 121.223 0.274 0.000 3.737 393 L HA -0.314 4.026 4.340 0.000 0.000 0.418 393 L C 1.334 178.359 176.870 0.259 0.000 1.216 393 L CA 1.022 56.002 54.840 0.233 0.000 0.915 393 L CB -2.027 40.187 42.059 0.259 0.000 1.834 393 L HN 0.699 nan 8.230 nan 0.000 0.943 394 H N 0.473 119.664 119.070 0.201 0.000 2.671 394 H HA 0.670 5.226 4.556 0.000 0.000 0.372 394 H C 0.270 175.653 175.328 0.091 0.000 1.227 394 H CA -0.412 55.713 56.048 0.128 0.000 1.426 394 H CB 0.900 30.729 29.762 0.112 0.000 1.480 394 H HN 0.306 nan 8.280 nan 0.000 0.611 395 R N -0.294 120.210 120.500 0.008 0.000 2.888 395 R HA 0.484 4.824 4.340 0.000 0.000 0.266 395 R C -0.403 175.988 176.300 0.151 0.000 1.020 395 R CA -0.251 55.824 56.100 -0.042 0.000 0.963 395 R CB 2.174 32.474 30.300 0.001 0.000 1.197 395 R HN 1.115 nan 8.270 nan 0.000 0.481 396 G N 1.405 110.271 108.800 0.110 0.000 2.757 396 G HA2 -0.173 3.787 3.960 0.000 0.000 0.638 396 G HA3 -0.173 3.787 3.960 0.000 0.000 0.638 396 G C -2.801 172.226 174.900 0.211 0.000 1.344 396 G CA -1.245 43.935 45.100 0.133 0.000 0.855 396 G HN 0.376 nan 8.290 nan 0.000 0.537 397 P HA 0.474 nan 4.420 nan 0.000 0.268 397 P C 0.377 177.709 177.300 0.052 0.000 1.204 397 P CA 0.743 63.910 63.100 0.110 0.000 0.768 397 P CB 0.826 32.556 31.700 0.050 0.000 0.842 398 A N 3.018 125.850 122.820 0.021 0.000 2.445 398 A HA 0.500 4.820 4.320 0.000 0.000 0.242 398 A C 1.534 179.019 177.584 -0.166 0.000 1.075 398 A CA 0.789 52.643 52.037 -0.305 0.000 0.777 398 A CB -0.942 17.979 19.000 -0.132 0.000 1.013 398 A HN 0.804 nan 8.150 nan 0.000 0.493 399 G N 0.292 108.976 108.800 -0.193 0.000 3.206 399 G HA2 -0.292 3.668 3.960 0.000 0.000 0.217 399 G HA3 -0.292 3.668 3.960 0.000 0.000 0.217 399 G C 1.077 175.930 174.900 -0.079 0.000 1.350 399 G CA 0.479 45.524 45.100 -0.092 0.000 0.836 399 G HN 0.839 nan 8.290 nan 0.000 0.548 400 L N 1.025 122.210 121.223 -0.065 0.000 2.201 400 L HA 0.152 4.492 4.340 0.000 0.000 0.212 400 L C 0.791 177.634 176.870 -0.046 0.000 1.105 400 L CA 0.922 55.738 54.840 -0.040 0.000 0.775 400 L CB -0.288 41.762 42.059 -0.016 0.000 0.913 400 L HN 0.319 nan 8.230 nan 0.000 0.440 401 N N -1.436 117.217 118.700 -0.079 0.000 2.258 401 N HA 0.218 4.958 4.740 0.000 0.000 0.299 401 N C -0.119 175.317 175.510 -0.122 0.000 1.047 401 N CA -0.138 52.878 53.050 -0.057 0.000 0.814 401 N CB 2.159 40.676 38.487 0.051 0.000 1.413 401 N HN -0.224 nan 8.380 nan 0.000 0.478 402 S N 0.001 115.673 115.700 -0.048 0.000 2.603 402 S HA 0.256 4.726 4.470 0.000 0.000 0.232 402 S C 1.266 175.919 174.600 0.088 0.000 1.016 402 S CA 0.065 58.255 58.200 -0.017 0.000 0.976 402 S CB 0.600 63.739 63.200 -0.100 0.000 0.921 402 S HN 0.934 nan 8.310 nan 0.000 0.516 403 G N 2.503 111.344 108.800 0.069 0.000 2.634 403 G HA2 -0.350 3.610 3.960 0.000 0.000 0.318 403 G HA3 -0.350 3.610 3.960 0.000 0.000 0.318 403 G C 0.262 175.062 174.900 -0.166 0.000 1.207 403 G CA 0.843 45.943 45.100 0.001 0.000 0.987 403 G HN 0.463 nan 8.290 nan 0.000 0.547 404 F N 1.346 121.382 119.950 0.143 0.000 2.664 404 F HA 0.488 5.015 4.527 -0.000 0.000 0.301 404 F C 2.395 178.218 175.800 0.037 0.000 1.126 404 F CA 0.912 58.968 58.000 0.094 0.000 1.373 404 F CB 0.157 39.231 39.000 0.123 0.000 1.042 404 F HN 0.322 nan 8.300 nan 0.000 0.535 405 M N 0.097 119.695 119.600 -0.004 0.000 2.106 405 M HA -0.150 4.330 4.480 0.000 0.000 0.259 405 M C 2.429 178.588 176.300 -0.235 0.000 1.068 405 M CA 2.310 57.323 55.300 -0.477 0.000 1.100 405 M CB -0.518 31.569 32.600 -0.854 0.000 1.351 405 M HN 0.307 nan 8.290 nan 0.000 0.404 406 G N -0.907 107.817 108.800 -0.127 0.000 2.402 406 G HA2 -0.113 3.847 3.960 0.000 0.000 0.216 406 G HA3 -0.113 3.847 3.960 0.000 0.000 0.216 406 G C 1.481 176.380 174.900 -0.003 0.000 1.162 406 G CA 0.769 45.826 45.100 -0.072 0.000 0.777 406 G HN 0.624 nan 8.290 nan 0.000 0.539 407 A N -0.056 122.800 122.820 0.061 0.000 1.972 407 A HA -0.089 4.231 4.320 0.000 0.000 0.219 407 A C 2.271 179.917 177.584 0.105 0.000 1.169 407 A CA 2.012 54.118 52.037 0.114 0.000 0.635 407 A CB -0.404 18.746 19.000 0.251 0.000 0.810 407 A HN 0.387 nan 8.150 nan 0.000 0.446 408 Q N 0.065 119.938 119.800 0.121 0.000 2.084 408 Q HA -0.119 4.221 4.340 0.000 0.000 0.202 408 Q C 2.105 178.147 176.000 0.070 0.000 0.978 408 Q CA 2.020 57.892 55.803 0.116 0.000 0.844 408 Q CB -0.299 28.553 28.738 0.190 0.000 0.898 408 Q HN 0.421 nan 8.270 nan 0.000 0.426 409 V N 0.596 120.530 119.914 0.034 0.000 2.427 409 V HA -0.216 3.904 4.120 0.000 0.000 0.248 409 V C 2.367 178.474 176.094 0.023 0.000 1.051 409 V CA 2.057 64.368 62.300 0.018 0.000 1.048 409 V CB -0.812 31.002 31.823 -0.015 0.000 0.666 409 V HN 0.395 nan 8.190 nan 0.000 0.456 410 T N 0.381 114.949 114.554 0.024 0.000 2.720 410 T HA -0.183 4.167 4.350 0.000 0.000 0.268 410 T C 2.052 176.771 174.700 0.033 0.000 1.037 410 T CA 1.632 63.748 62.100 0.025 0.000 1.144 410 T CB -0.388 68.496 68.868 0.026 0.000 0.864 410 T HN 0.579 nan 8.240 nan 0.000 0.444 411 A N 1.211 124.057 122.820 0.043 0.000 1.902 411 A HA -0.129 4.191 4.320 0.000 0.000 0.217 411 A C 2.553 180.163 177.584 0.044 0.000 1.181 411 A CA 2.093 54.157 52.037 0.047 0.000 0.623 411 A CB -1.206 17.826 19.000 0.053 0.000 0.818 411 A HN 0.482 nan 8.150 nan 0.000 0.443 412 T N 0.349 114.928 114.554 0.041 0.000 2.746 412 T HA -0.023 4.327 4.350 0.000 0.000 0.267 412 T C 2.217 176.934 174.700 0.028 0.000 1.039 412 T CA 1.560 63.681 62.100 0.035 0.000 1.142 412 T CB -0.456 68.432 68.868 0.035 0.000 0.866 412 T HN 0.602 nan 8.240 nan 0.000 0.444 413 A N 1.249 124.084 122.820 0.025 0.000 1.902 413 A HA 0.009 4.329 4.320 0.000 0.000 0.217 413 A C 2.302 179.900 177.584 0.023 0.000 1.181 413 A CA 1.194 53.242 52.037 0.020 0.000 0.623 413 A CB -0.833 18.177 19.000 0.016 0.000 0.818 413 A HN 0.479 nan 8.150 nan 0.000 0.443 414 L N -1.186 120.054 121.223 0.029 0.000 2.056 414 L HA -0.154 4.186 4.340 0.000 0.000 0.207 414 L C 2.553 179.443 176.870 0.034 0.000 1.078 414 L CA 1.131 55.991 54.840 0.034 0.000 0.749 414 L CB -0.540 41.545 42.059 0.043 0.000 0.901 414 L HN 0.466 nan 8.230 nan 0.000 0.433 415 L N 0.272 121.515 121.223 0.033 0.000 2.027 415 L HA -0.121 4.219 4.340 0.000 0.000 0.206 415 L C 2.656 179.533 176.870 0.013 0.000 1.074 415 L CA 1.984 56.838 54.840 0.023 0.000 0.745 415 L CB -0.728 41.344 42.059 0.021 0.000 0.898 415 L HN 0.135 nan 8.230 nan 0.000 0.433 416 A N -0.805 122.023 122.820 0.015 0.000 1.908 416 A HA -0.296 4.024 4.320 0.000 0.000 0.218 416 A C 2.340 179.931 177.584 0.011 0.000 1.181 416 A CA 1.964 54.008 52.037 0.011 0.000 0.627 416 A CB -0.783 18.224 19.000 0.012 0.000 0.818 416 A HN 0.644 nan 8.150 nan 0.000 0.445 417 E N -0.678 119.531 120.200 0.014 0.000 2.072 417 E HA -0.183 4.168 4.350 0.000 0.000 0.191 417 E C 2.049 178.658 176.600 0.015 0.000 0.985 417 E CA 1.285 57.694 56.400 0.015 0.000 0.801 417 E CB -0.204 29.507 29.700 0.018 0.000 0.750 417 E HN 0.678 nan 8.360 nan 0.000 0.452 418 M N 0.016 119.626 119.600 0.016 0.000 2.108 418 M HA -0.180 4.300 4.480 0.000 0.000 0.261 418 M C 2.317 178.619 176.300 0.004 0.000 1.066 418 M CA 1.578 56.885 55.300 0.012 0.000 1.107 418 M CB -0.203 32.400 32.600 0.006 0.000 1.356 418 M HN 0.020 nan 8.290 nan 0.000 0.406 419 R N 0.091 120.591 120.500 0.000 0.000 2.189 419 R HA -0.025 4.315 4.340 0.000 0.000 0.223 419 R C 2.218 178.522 176.300 0.006 0.000 1.092 419 R CA 1.099 57.198 56.100 -0.002 0.000 0.989 419 R CB -0.452 29.845 30.300 -0.004 0.000 0.876 419 R HN 0.375 nan 8.270 nan 0.000 0.457 420 A N 0.593 123.419 122.820 0.009 0.000 2.067 420 A HA -0.039 4.281 4.320 0.000 0.000 0.219 420 A C 0.810 178.404 177.584 0.017 0.000 1.158 420 A CA 0.954 52.998 52.037 0.012 0.000 0.661 420 A CB 0.051 19.057 19.000 0.010 0.000 0.801 420 A HN 0.111 nan 8.150 nan 0.000 0.452 421 T N 0.113 114.679 114.554 0.019 0.000 2.771 421 T HA 0.550 4.900 4.350 0.000 0.000 0.281 421 T C 0.448 175.169 174.700 0.035 0.000 0.982 421 T CA 0.060 62.176 62.100 0.027 0.000 0.978 421 T CB 1.518 70.401 68.868 0.025 0.000 0.930 421 T HN 0.374 nan 8.240 nan 0.000 0.447 422 G N 3.034 111.868 108.800 0.056 0.000 2.795 422 G HA2 0.670 4.630 3.960 0.000 0.000 0.267 422 G HA3 0.670 4.630 3.960 0.000 0.000 0.267 422 G C -2.645 172.301 174.900 0.077 0.000 1.362 422 G CA -1.613 43.523 45.100 0.060 0.000 1.048 422 G HN 0.436 nan 8.290 nan 0.000 0.547 423 P HA 0.251 nan 4.420 nan 0.000 0.266 423 P C 0.356 177.717 177.300 0.102 0.000 1.195 423 P CA 0.380 63.514 63.100 0.057 0.000 0.768 423 P CB 1.318 33.027 31.700 0.015 0.000 0.838 424 A N 2.198 125.082 122.820 0.107 0.000 1.984 424 A HA -0.054 4.266 4.320 0.000 0.000 0.214 424 A C 2.086 179.739 177.584 0.116 0.000 1.173 424 A CA 1.106 53.245 52.037 0.170 0.000 0.673 424 A CB -1.059 18.009 19.000 0.113 0.000 0.830 424 A HN 0.479 nan 8.150 nan 0.000 0.453 425 S N 0.591 116.315 115.700 0.040 0.000 2.402 425 S HA -0.200 4.270 4.470 0.000 0.000 0.233 425 S C 1.700 176.266 174.600 -0.056 0.000 1.030 425 S CA 1.630 59.833 58.200 0.005 0.000 1.003 425 S CB -0.720 62.483 63.200 0.005 0.000 0.813 425 S HN 0.801 nan 8.310 nan 0.000 0.477 426 I N -1.327 119.136 120.570 -0.178 0.000 3.444 426 I HA 0.047 4.217 4.170 0.000 0.000 0.287 426 I C 0.724 176.623 176.117 -0.363 0.000 1.302 426 I CA 0.992 62.122 61.300 -0.283 0.000 1.368 426 I CB -0.349 37.434 38.000 -0.363 0.000 1.048 426 I HN 0.168 nan 8.210 nan 0.000 0.487 427 H N 1.301 120.382 119.070 0.017 0.000 2.524 427 H HA 0.306 4.862 4.556 0.000 0.000 0.299 427 H C 0.643 175.982 175.328 0.018 0.000 1.074 427 H CA -0.212 55.846 56.048 0.016 0.000 1.115 427 H CB 0.069 29.841 29.762 0.016 0.000 1.522 427 H HN 0.301 nan 8.280 nan 0.000 0.543 428 S N 1.236 116.980 115.700 0.075 0.000 2.552 428 S HA 0.184 4.654 4.470 0.000 0.000 0.289 428 S C 0.285 174.922 174.600 0.062 0.000 1.304 428 S CA -0.225 58.013 58.200 0.062 0.000 1.063 428 S CB -0.023 63.199 63.200 0.037 0.000 0.848 428 S HN 0.290 nan 8.310 nan 0.000 0.499 429 I N 3.405 124.010 120.570 0.058 0.000 2.533 429 I HA 0.226 4.396 4.170 0.000 0.000 0.290 429 I C 0.112 176.254 176.117 0.041 0.000 1.056 429 I CA -0.668 60.661 61.300 0.048 0.000 1.057 429 I CB 2.132 40.161 38.000 0.048 0.000 1.240 429 I HN 0.574 nan 8.210 nan 0.000 0.423 430 S N 3.911 119.632 115.700 0.035 0.000 2.537 430 S HA 0.267 4.737 4.470 0.000 0.000 0.286 430 S C -0.209 174.410 174.600 0.032 0.000 1.299 430 S CA 0.410 58.630 58.200 0.033 0.000 1.067 430 S CB 0.282 63.499 63.200 0.029 0.000 0.864 430 S HN 0.778 nan 8.310 nan 0.000 0.494 431 T N 3.034 117.608 114.554 0.033 0.000 2.681 431 T HA 0.409 4.759 4.350 0.000 0.000 0.296 431 T C -0.415 174.305 174.700 0.032 0.000 1.157 431 T CA -0.107 62.011 62.100 0.032 0.000 1.025 431 T CB 0.792 69.680 68.868 0.032 0.000 1.441 431 T HN 0.915 nan 8.240 nan 0.000 0.504 432 N N 0.650 119.369 118.700 0.032 0.000 2.727 432 N HA -0.224 4.516 4.740 0.000 0.000 0.251 432 N C 0.307 175.837 175.510 0.033 0.000 1.040 432 N CA 0.822 53.893 53.050 0.035 0.000 0.712 432 N CB -1.192 37.319 38.487 0.039 0.000 0.912 432 N HN 1.602 nan 8.380 nan 0.000 0.545 433 A N -0.538 122.299 122.820 0.028 0.000 2.783 433 A HA 0.008 4.328 4.320 0.000 0.000 0.292 433 A C 1.337 178.937 177.584 0.026 0.000 1.495 433 A CA 2.071 54.123 52.037 0.025 0.000 0.787 433 A CB -2.274 16.740 19.000 0.024 0.000 1.017 433 A HN 2.271 nan 8.150 nan 0.000 0.516 434 A N -2.368 120.469 122.820 0.028 0.000 3.396 434 A HA -0.359 3.961 4.320 0.000 0.000 0.267 434 A C 1.393 178.996 177.584 0.032 0.000 1.139 434 A CA 2.035 54.089 52.037 0.028 0.000 1.115 434 A CB -2.535 16.480 19.000 0.024 0.000 1.133 434 A HN 2.252 nan 8.150 nan 0.000 0.920 435 N N 0.032 118.753 118.700 0.036 0.000 2.171 435 N HA -0.092 4.648 4.740 0.000 0.000 0.184 435 N C 1.008 176.545 175.510 0.046 0.000 1.021 435 N CA 1.837 54.911 53.050 0.040 0.000 0.854 435 N CB -0.171 38.343 38.487 0.045 0.000 0.994 435 N HN 0.747 nan 8.380 nan 0.000 0.426 436 Q N 0.577 120.404 119.800 0.045 0.000 3.091 436 Q HA 0.060 4.400 4.340 0.000 0.000 0.301 436 Q C -0.357 175.672 176.000 0.049 0.000 1.337 436 Q CA -0.255 55.580 55.803 0.053 0.000 1.083 436 Q CB 0.502 29.266 28.738 0.044 0.000 1.477 436 Q HN 0.520 nan 8.270 nan 0.000 0.537 437 D N -0.497 119.930 120.400 0.045 0.000 2.310 437 D HA -0.091 4.549 4.640 0.000 0.000 0.212 437 D C 0.710 177.033 176.300 0.038 0.000 0.965 437 D CA 0.486 54.508 54.000 0.038 0.000 0.879 437 D CB 0.058 40.877 40.800 0.031 0.000 0.921 437 D HN 0.206 nan 8.370 nan 0.000 0.510 438 V N -1.795 118.147 119.914 0.046 0.000 2.760 438 V HA 0.769 4.889 4.120 0.000 0.000 0.309 438 V C -0.363 175.767 176.094 0.060 0.000 1.077 438 V CA -1.182 61.145 62.300 0.045 0.000 0.910 438 V CB 1.919 33.763 31.823 0.036 0.000 1.008 438 V HN 0.120 nan 8.190 nan 0.000 0.424 439 V N 0.801 120.749 119.914 0.057 0.000 3.007 439 V HA 0.775 4.895 4.120 0.000 0.000 0.311 439 V C 1.021 177.150 176.094 0.060 0.000 1.120 439 V CA 0.261 62.601 62.300 0.067 0.000 0.980 439 V CB 1.403 33.262 31.823 0.061 0.000 1.033 439 V HN 1.307 nan 8.190 nan 0.000 0.429 440 S N 2.212 117.952 115.700 0.067 0.000 2.406 440 S HA 0.098 4.568 4.470 0.000 0.000 0.224 440 S C 1.177 175.808 174.600 0.052 0.000 1.030 440 S CA 1.153 59.385 58.200 0.054 0.000 0.958 440 S CB -0.838 62.399 63.200 0.061 0.000 0.811 440 S HN 1.413 nan 8.310 nan 0.000 0.489 441 L N 0.317 121.574 121.223 0.057 0.000 4.232 441 L HA -0.199 4.141 4.340 0.000 0.000 0.415 441 L C 1.526 178.427 176.870 0.052 0.000 1.168 441 L CA 0.046 54.920 54.840 0.057 0.000 0.966 441 L CB -2.275 39.827 42.059 0.071 0.000 2.052 441 L HN 0.535 nan 8.230 nan 0.000 0.887 442 G N -0.361 108.468 108.800 0.049 0.000 2.450 442 G HA2 -0.221 3.739 3.960 0.000 0.000 0.220 442 G HA3 -0.221 3.739 3.960 0.000 0.000 0.220 442 G C 1.270 176.195 174.900 0.042 0.000 1.130 442 G CA 1.454 46.580 45.100 0.043 0.000 0.760 442 G HN 0.472 nan 8.290 nan 0.000 0.557 443 T N 1.274 115.851 114.554 0.039 0.000 2.777 443 T HA -0.016 4.334 4.350 0.000 0.000 0.266 443 T C 2.380 177.101 174.700 0.036 0.000 1.040 443 T CA 0.930 63.050 62.100 0.033 0.000 1.141 443 T CB -0.118 68.764 68.868 0.025 0.000 0.868 443 T HN 0.275 nan 8.240 nan 0.000 0.444 444 I N 1.607 122.200 120.570 0.039 0.000 2.226 444 I HA -0.154 4.016 4.170 0.000 0.000 0.245 444 I C 2.989 179.135 176.117 0.050 0.000 1.100 444 I CA 1.059 62.384 61.300 0.041 0.000 1.374 444 I CB -0.517 37.511 38.000 0.045 0.000 1.057 444 I HN 0.203 nan 8.210 nan 0.000 0.413 445 A N 0.798 123.652 122.820 0.056 0.000 1.908 445 A HA -0.192 4.128 4.320 0.000 0.000 0.218 445 A C 2.541 180.162 177.584 0.063 0.000 1.181 445 A CA 1.986 54.060 52.037 0.061 0.000 0.627 445 A CB -0.866 18.170 19.000 0.060 0.000 0.818 445 A HN 0.435 nan 8.150 nan 0.000 0.445 446 A N -0.418 122.439 122.820 0.062 0.000 1.930 446 A HA -0.132 4.188 4.320 0.000 0.000 0.217 446 A C 2.244 179.867 177.584 0.064 0.000 1.175 446 A CA 1.456 53.537 52.037 0.072 0.000 0.627 446 A CB -0.421 18.620 19.000 0.068 0.000 0.815 446 A HN 0.551 nan 8.150 nan 0.000 0.443 447 R N -0.540 119.991 120.500 0.052 0.000 2.092 447 R HA 0.029 4.369 4.340 0.000 0.000 0.231 447 R C 1.969 178.297 176.300 0.047 0.000 1.119 447 R CA 1.266 57.393 56.100 0.046 0.000 0.970 447 R CB -0.431 29.889 30.300 0.034 0.000 0.864 447 R HN 0.495 nan 8.270 nan 0.000 0.440 448 L N -0.275 120.976 121.223 0.047 0.000 2.093 448 L HA -0.202 4.139 4.340 0.000 0.000 0.208 448 L C 2.739 179.638 176.870 0.049 0.000 1.085 448 L CA 0.713 55.580 54.840 0.045 0.000 0.755 448 L CB -0.507 41.581 42.059 0.047 0.000 0.904 448 L HN 0.367 nan 8.230 nan 0.000 0.435 449 C N 0.447 119.779 119.300 0.053 0.000 2.429 449 C HA -0.165 4.295 4.460 0.000 0.000 0.277 449 C C 3.112 178.142 174.990 0.065 0.000 1.262 449 C CA 0.964 60.013 59.018 0.052 0.000 1.733 449 C CB -0.538 27.233 27.740 0.052 0.000 2.010 449 C HN 0.507 nan 8.230 nan 0.000 0.483 450 R N 1.204 121.745 120.500 0.070 0.000 2.091 450 R HA -0.091 4.249 4.340 0.000 0.000 0.238 450 R C 2.116 178.463 176.300 0.079 0.000 1.136 450 R CA 2.052 58.200 56.100 0.079 0.000 0.959 450 R CB -0.758 29.586 30.300 0.074 0.000 0.856 450 R HN 0.525 nan 8.270 nan 0.000 0.437 451 E N 0.772 121.010 120.200 0.065 0.000 2.077 451 E HA -0.184 4.166 4.350 0.000 0.000 0.193 451 E C 1.846 178.490 176.600 0.072 0.000 0.989 451 E CA 1.426 57.862 56.400 0.060 0.000 0.800 451 E CB -0.111 29.617 29.700 0.046 0.000 0.746 451 E HN 0.449 nan 8.360 nan 0.000 0.452 452 K N 0.273 120.716 120.400 0.072 0.000 2.097 452 K HA -0.023 4.297 4.320 0.000 0.000 0.205 452 K C 2.302 178.990 176.600 0.148 0.000 1.050 452 K CA 0.711 57.045 56.287 0.079 0.000 0.938 452 K CB -0.103 32.422 32.500 0.041 0.000 0.718 452 K HN 0.090 nan 8.250 nan 0.000 0.442 453 I N 1.466 122.136 120.570 0.166 0.000 2.226 453 I HA -0.283 3.887 4.170 0.000 0.000 0.245 453 I C 1.590 177.827 176.117 0.200 0.000 1.100 453 I CA 1.198 62.650 61.300 0.254 0.000 1.374 453 I CB -0.211 37.904 38.000 0.192 0.000 1.057 453 I HN 0.144 nan 8.210 nan 0.000 0.413 454 D N 0.524 121.000 120.400 0.127 0.000 2.144 454 D HA -0.129 4.511 4.640 0.000 0.000 0.199 454 D C 2.323 178.677 176.300 0.090 0.000 0.984 454 D CA 0.913 54.964 54.000 0.085 0.000 0.834 454 D CB -0.208 40.631 40.800 0.065 0.000 0.955 454 D HN 0.181 nan 8.370 nan 0.000 0.465 455 R N -0.112 120.456 120.500 0.115 0.000 2.092 455 R HA -0.109 4.231 4.340 0.000 0.000 0.231 455 R C 2.123 178.531 176.300 0.179 0.000 1.119 455 R CA 0.427 56.594 56.100 0.112 0.000 0.970 455 R CB -0.978 29.378 30.300 0.093 0.000 0.864 455 R HN 0.345 nan 8.270 nan 0.000 0.440 456 W N 1.916 123.216 121.300 -0.000 0.000 2.358 456 W HA -0.075 4.585 4.660 0.000 0.000 0.303 456 W C 2.086 178.595 176.519 -0.017 0.000 1.208 456 W CA 1.342 58.687 57.345 -0.001 0.000 1.274 456 W CB -0.618 28.849 29.460 0.011 0.000 1.138 456 W HN 0.128 nan 8.180 nan 0.000 0.515 457 A N 0.236 123.059 122.820 0.005 0.000 1.933 457 A HA -0.230 4.090 4.320 0.000 0.000 0.218 457 A C 1.862 179.363 177.584 -0.140 0.000 1.175 457 A CA 1.980 53.905 52.037 -0.187 0.000 0.628 457 A CB -0.753 18.160 19.000 -0.146 0.000 0.814 457 A HN 0.474 nan 8.150 nan 0.000 0.444 458 E N -0.361 119.814 120.200 -0.041 0.000 2.106 458 E HA -0.095 4.255 4.350 0.000 0.000 0.192 458 E C 1.839 178.424 176.600 -0.025 0.000 0.984 458 E CA 1.091 57.468 56.400 -0.038 0.000 0.806 458 E CB -0.251 29.449 29.700 0.001 0.000 0.750 458 E HN 0.699 nan 8.360 nan 0.000 0.458 459 I N 0.917 121.509 120.570 0.036 0.000 2.252 459 I HA -0.265 3.905 4.170 0.000 0.000 0.245 459 I C 2.242 178.371 176.117 0.020 0.000 1.102 459 I CA 0.972 62.311 61.300 0.064 0.000 1.385 459 I CB -0.148 37.945 38.000 0.155 0.000 1.064 459 I HN 0.109 nan 8.210 nan 0.000 0.414 460 L N 0.434 121.641 121.223 -0.027 0.000 2.131 460 L HA -0.182 4.158 4.340 0.000 0.000 0.210 460 L C 2.821 179.582 176.870 -0.181 0.000 1.092 460 L CA 1.171 55.948 54.840 -0.104 0.000 0.759 460 L CB -0.660 41.245 42.059 -0.257 0.000 0.903 460 L HN 0.237 nan 8.230 nan 0.000 0.435 461 A N 0.309 122.994 122.820 -0.224 0.000 1.902 461 A HA -0.174 4.146 4.320 0.000 0.000 0.217 461 A C 2.207 179.672 177.584 -0.198 0.000 1.181 461 A CA 1.480 53.352 52.037 -0.276 0.000 0.623 461 A CB -0.595 18.252 19.000 -0.255 0.000 0.818 461 A HN 0.348 nan 8.150 nan 0.000 0.443 462 I N -0.852 119.650 120.570 -0.113 0.000 2.252 462 I HA -0.210 3.960 4.170 0.000 0.000 0.245 462 I C 2.400 178.447 176.117 -0.117 0.000 1.102 462 I CA 1.077 62.334 61.300 -0.072 0.000 1.385 462 I CB -0.233 37.761 38.000 -0.009 0.000 1.064 462 I HN 0.390 nan 8.210 nan 0.000 0.414 463 L N 1.212 122.384 121.223 -0.085 0.000 2.083 463 L HA -0.141 4.199 4.340 0.000 0.000 0.209 463 L C 2.520 179.332 176.870 -0.097 0.000 1.083 463 L CA 2.102 56.898 54.840 -0.074 0.000 0.752 463 L CB -0.817 41.239 42.059 -0.004 0.000 0.899 463 L HN 0.182 nan 8.230 nan 0.000 0.433 464 A N -0.522 122.238 122.820 -0.101 0.000 1.902 464 A HA -0.150 4.170 4.320 0.000 0.000 0.217 464 A C 2.259 179.773 177.584 -0.117 0.000 1.181 464 A CA 1.934 53.926 52.037 -0.076 0.000 0.623 464 A CB -0.857 18.058 19.000 -0.142 0.000 0.818 464 A HN 0.498 nan 8.150 nan 0.000 0.443 465 L N -0.910 120.205 121.223 -0.180 0.000 2.056 465 L HA -0.233 4.107 4.340 0.000 0.000 0.207 465 L C 2.735 179.404 176.870 -0.334 0.000 1.078 465 L CA 1.182 55.934 54.840 -0.146 0.000 0.749 465 L CB -0.731 41.313 42.059 -0.025 0.000 0.901 465 L HN 0.483 nan 8.230 nan 0.000 0.433 466 C N -0.111 118.834 119.300 -0.592 0.000 2.429 466 C HA -0.151 4.309 4.460 0.000 0.000 0.277 466 C C 2.756 177.534 174.990 -0.354 0.000 1.262 466 C CA 0.574 59.095 59.018 -0.828 0.000 1.733 466 C CB -0.755 26.637 27.740 -0.579 0.000 2.010 466 C HN 0.429 nan 8.230 nan 0.000 0.483 467 L N 0.780 121.894 121.223 -0.183 0.000 2.141 467 L HA -0.101 4.239 4.340 0.000 0.000 0.209 467 L C 2.823 179.679 176.870 -0.023 0.000 1.094 467 L CA 1.338 56.138 54.840 -0.067 0.000 0.763 467 L CB -0.632 41.421 42.059 -0.010 0.000 0.908 467 L HN 0.332 nan 8.230 nan 0.000 0.437 468 A N -0.298 122.514 122.820 -0.013 0.000 1.902 468 A HA -0.282 4.038 4.320 0.000 0.000 0.217 468 A C 2.212 179.826 177.584 0.050 0.000 1.181 468 A CA 1.900 53.961 52.037 0.040 0.000 0.623 468 A CB -0.474 18.567 19.000 0.069 0.000 0.818 468 A HN 0.416 nan 8.150 nan 0.000 0.443 469 Q N -0.277 119.552 119.800 0.048 0.000 2.046 469 Q HA -0.005 4.336 4.340 0.000 0.000 0.200 469 Q C 2.078 178.111 176.000 0.055 0.000 0.975 469 Q CA 2.090 57.955 55.803 0.104 0.000 0.836 469 Q CB -0.523 28.362 28.738 0.244 0.000 0.896 469 Q HN 0.534 nan 8.270 nan 0.000 0.428 470 A N 0.552 123.375 122.820 0.005 0.000 1.908 470 A HA -0.123 4.197 4.320 0.000 0.000 0.218 470 A C 2.333 179.924 177.584 0.013 0.000 1.181 470 A CA 1.952 53.990 52.037 0.001 0.000 0.627 470 A CB -1.330 17.656 19.000 -0.024 0.000 0.818 470 A HN 0.566 nan 8.150 nan 0.000 0.445 471 A N -0.157 122.674 122.820 0.018 0.000 1.908 471 A HA -0.204 4.116 4.320 0.000 0.000 0.218 471 A C 1.921 179.521 177.584 0.027 0.000 1.181 471 A CA 1.745 53.797 52.037 0.025 0.000 0.627 471 A CB -0.548 18.472 19.000 0.033 0.000 0.818 471 A HN 0.670 nan 8.150 nan 0.000 0.445 472 E N -0.318 119.902 120.200 0.033 0.000 2.107 472 E HA -0.075 4.275 4.350 0.000 0.000 0.191 472 E C 1.930 178.544 176.600 0.024 0.000 0.982 472 E CA 0.894 57.314 56.400 0.033 0.000 0.809 472 E CB -0.248 29.479 29.700 0.044 0.000 0.756 472 E HN 0.617 nan 8.360 nan 0.000 0.459 473 L N 0.494 121.730 121.223 0.022 0.000 2.056 473 L HA -0.149 4.191 4.340 0.000 0.000 0.207 473 L C 2.653 179.525 176.870 0.003 0.000 1.078 473 L CA 0.920 55.764 54.840 0.007 0.000 0.749 473 L CB -0.159 41.902 42.059 0.002 0.000 0.901 473 L HN 0.014 nan 8.230 nan 0.000 0.433 474 R N -0.194 120.310 120.500 0.007 0.000 2.062 474 R HA -0.060 4.280 4.340 0.000 0.000 0.226 474 R C 1.803 178.108 176.300 0.008 0.000 1.125 474 R CA 1.745 57.848 56.100 0.005 0.000 0.966 474 R CB -0.429 29.875 30.300 0.007 0.000 0.861 474 R HN 0.368 nan 8.270 nan 0.000 0.433 475 C N 0.035 119.342 119.300 0.013 0.000 3.183 475 C HA 0.660 5.120 4.460 0.000 0.000 0.285 475 C C 0.622 175.621 174.990 0.014 0.000 1.313 475 C CA -0.354 58.672 59.018 0.014 0.000 1.711 475 C CB -0.772 26.978 27.740 0.017 0.000 2.135 475 C HN 0.738 nan 8.230 nan 0.000 0.651 476 G N 1.705 110.513 108.800 0.014 0.000 2.730 476 G HA2 -0.138 3.822 3.960 0.000 0.000 0.686 476 G HA3 -0.138 3.822 3.960 0.000 0.000 0.686 476 G C 0.696 175.607 174.900 0.020 0.000 1.343 476 G CA 0.054 45.163 45.100 0.015 0.000 0.826 476 G HN 0.771 nan 8.290 nan 0.000 0.582 477 S N -0.675 115.037 115.700 0.020 0.000 2.419 477 S HA 0.035 4.505 4.470 0.000 0.000 0.235 477 S C 2.376 176.990 174.600 0.024 0.000 1.019 477 S CA 1.936 60.151 58.200 0.024 0.000 0.982 477 S CB -0.200 63.013 63.200 0.023 0.000 0.789 477 S HN 2.175 nan 8.310 nan 0.000 0.490 478 G N 0.798 109.610 108.800 0.020 0.000 2.920 478 G HA2 0.360 4.320 3.960 0.000 0.000 0.208 478 G HA3 0.360 4.320 3.960 0.000 0.000 0.208 478 G C 0.534 175.446 174.900 0.020 0.000 1.159 478 G CA -0.094 45.017 45.100 0.019 0.000 0.784 478 G HN 0.604 nan 8.290 nan 0.000 0.535 479 L N 0.977 122.214 121.223 0.022 0.000 3.660 479 L HA -0.143 4.197 4.340 0.000 0.000 0.440 479 L C -0.925 175.957 176.870 0.020 0.000 1.262 479 L CA -0.114 54.740 54.840 0.023 0.000 0.837 479 L CB -1.730 40.346 42.059 0.027 0.000 1.689 479 L HN 0.208 nan 8.230 nan 0.000 0.890 480 D N 1.456 121.866 120.400 0.017 0.000 2.434 480 D HA 0.302 4.942 4.640 0.000 0.000 0.252 480 D C 1.383 177.692 176.300 0.016 0.000 1.185 480 D CA 1.333 55.342 54.000 0.015 0.000 0.886 480 D CB 1.273 42.081 40.800 0.013 0.000 1.148 480 D HN 0.540 nan 8.370 nan 0.000 0.483 481 G N 1.393 110.202 108.800 0.016 0.000 2.217 481 G HA2 -0.278 3.682 3.960 0.000 0.000 0.246 481 G HA3 -0.278 3.682 3.960 0.000 0.000 0.246 481 G C 0.446 175.358 174.900 0.019 0.000 0.990 481 G CA 0.054 45.164 45.100 0.016 0.000 0.627 481 G HN 0.522 nan 8.290 nan 0.000 0.522 482 V N 2.688 122.615 119.914 0.022 0.000 2.715 482 V HA 0.486 4.606 4.120 0.000 0.000 0.299 482 V C 1.527 177.636 176.094 0.025 0.000 1.054 482 V CA 0.201 62.517 62.300 0.026 0.000 1.077 482 V CB 1.376 33.216 31.823 0.029 0.000 0.972 482 V HN 1.103 nan 8.190 nan 0.000 0.484 483 S N 4.965 120.683 115.700 0.030 0.000 2.569 483 S HA 0.112 4.582 4.470 0.000 0.000 0.274 483 S C -1.727 172.886 174.600 0.022 0.000 1.353 483 S CA -0.558 57.659 58.200 0.027 0.000 1.023 483 S CB 0.439 63.660 63.200 0.036 0.000 0.876 483 S HN 0.579 nan 8.310 nan 0.000 0.540 484 P HA -0.016 nan 4.420 nan 0.000 0.216 484 P C 1.665 178.970 177.300 0.009 0.000 1.153 484 P CA 1.873 64.980 63.100 0.012 0.000 0.848 484 P CB -0.253 31.452 31.700 0.008 0.000 0.787 485 A N -0.143 122.680 122.820 0.005 0.000 1.877 485 A HA -0.092 4.228 4.320 0.000 0.000 0.216 485 A C 2.493 180.076 177.584 -0.001 0.000 1.186 485 A CA 2.126 54.158 52.037 -0.008 0.000 0.620 485 A CB -1.918 17.073 19.000 -0.015 0.000 0.822 485 A HN 0.268 nan 8.150 nan 0.000 0.443 486 G N -0.459 108.350 108.800 0.015 0.000 2.418 486 G HA2 -0.232 3.728 3.960 0.000 0.000 0.217 486 G HA3 -0.232 3.728 3.960 0.000 0.000 0.217 486 G C 1.691 176.610 174.900 0.031 0.000 1.158 486 G CA 1.140 46.256 45.100 0.027 0.000 0.771 486 G HN 0.569 nan 8.290 nan 0.000 0.545 487 K N 0.174 120.590 120.400 0.027 0.000 2.026 487 K HA -0.057 4.263 4.320 0.000 0.000 0.208 487 K C 2.456 179.074 176.600 0.031 0.000 1.048 487 K CA 1.320 57.625 56.287 0.030 0.000 0.929 487 K CB -0.150 32.364 32.500 0.024 0.000 0.713 487 K HN 0.260 nan 8.250 nan 0.000 0.439 488 K N 1.404 121.817 120.400 0.023 0.000 2.063 488 K HA -0.156 4.164 4.320 0.000 0.000 0.208 488 K C 2.171 178.792 176.600 0.036 0.000 1.048 488 K CA 1.107 57.408 56.287 0.023 0.000 0.928 488 K CB -0.128 32.376 32.500 0.007 0.000 0.713 488 K HN 0.104 nan 8.250 nan 0.000 0.442 489 L N 0.701 121.943 121.223 0.031 0.000 2.017 489 L HA -0.179 4.161 4.340 0.000 0.000 0.208 489 L C 2.099 179.034 176.870 0.108 0.000 1.073 489 L CA 1.185 56.061 54.840 0.061 0.000 0.745 489 L CB -0.154 41.926 42.059 0.035 0.000 0.894 489 L HN 0.036 nan 8.230 nan 0.000 0.432 490 V N -0.141 119.824 119.914 0.086 0.000 2.358 490 V HA -0.299 3.821 4.120 0.000 0.000 0.246 490 V C 2.454 178.602 176.094 0.090 0.000 1.047 490 V CA 1.986 64.341 62.300 0.092 0.000 1.035 490 V CB -0.640 31.225 31.823 0.070 0.000 0.658 490 V HN 0.551 nan 8.190 nan 0.000 0.452 491 Q N -0.030 119.812 119.800 0.070 0.000 2.124 491 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 491 Q C 2.415 178.457 176.000 0.069 0.000 0.977 491 Q CA 1.739 57.578 55.803 0.060 0.000 0.850 491 Q CB -0.421 28.343 28.738 0.044 0.000 0.901 491 Q HN 0.675 nan 8.270 nan 0.000 0.429 492 A N 0.855 123.726 122.820 0.084 0.000 1.898 492 A HA -0.133 4.187 4.320 0.000 0.000 0.216 492 A C 2.062 179.720 177.584 0.123 0.000 1.181 492 A CA 0.992 53.086 52.037 0.095 0.000 0.620 492 A CB -0.584 18.488 19.000 0.118 0.000 0.819 492 A HN 0.272 nan 8.150 nan 0.000 0.442 493 L N -1.088 120.238 121.223 0.171 0.000 2.056 493 L HA -0.127 4.213 4.340 0.000 0.000 0.207 493 L C 2.597 179.614 176.870 0.245 0.000 1.078 493 L CA 0.879 55.867 54.840 0.246 0.000 0.749 493 L CB -0.420 41.765 42.059 0.210 0.000 0.901 493 L HN 0.250 nan 8.230 nan 0.000 0.433 494 R N 0.441 121.032 120.500 0.151 0.000 2.285 494 R HA -0.106 4.234 4.340 0.000 0.000 0.213 494 R C 1.800 178.127 176.300 0.045 0.000 1.068 494 R CA 0.660 56.826 56.100 0.110 0.000 1.004 494 R CB -0.315 30.035 30.300 0.083 0.000 0.873 494 R HN 0.561 nan 8.270 nan 0.000 0.467 495 E N 0.014 120.228 120.200 0.023 0.000 2.152 495 E HA -0.130 4.220 4.350 0.000 0.000 0.192 495 E C 1.386 177.917 176.600 -0.116 0.000 0.983 495 E CA 0.718 57.098 56.400 -0.032 0.000 0.818 495 E CB 0.259 29.943 29.700 -0.026 0.000 0.758 495 E HN 0.226 nan 8.360 nan 0.000 0.467 496 Q N -0.976 118.699 119.800 -0.207 0.000 2.322 496 Q HA 0.145 4.485 4.340 0.000 0.000 0.250 496 Q C -0.263 175.272 176.000 -0.775 0.000 0.853 496 Q CA 0.327 55.811 55.803 -0.532 0.000 0.951 496 Q CB 0.778 29.046 28.738 -0.782 0.000 1.114 496 Q HN 0.123 nan 8.270 nan 0.000 0.523 497 F N 2.202 122.145 119.950 -0.011 0.000 2.366 497 F HA 0.429 4.956 4.527 0.000 0.000 0.366 497 F C -2.119 173.696 175.800 0.025 0.000 1.096 497 F CA -2.636 55.369 58.000 0.008 0.000 1.060 497 F CB 1.324 40.333 39.000 0.015 0.000 1.282 497 F HN -0.191 nan 8.300 nan 0.000 0.450 498 P HA 0.127 nan 4.420 nan 0.000 0.272 498 P C -2.368 175.006 177.300 0.124 0.000 1.240 498 P CA -0.924 62.231 63.100 0.092 0.000 0.791 498 P CB 0.021 31.749 31.700 0.047 0.000 0.978 499 P HA 0.092 nan 4.420 nan 0.000 0.272 499 P C -0.778 176.573 177.300 0.085 0.000 1.240 499 P CA -0.148 63.018 63.100 0.110 0.000 0.791 499 P CB 0.501 32.251 31.700 0.083 0.000 0.978 500 L N 1.930 123.206 121.223 0.088 0.000 2.328 500 L HA 0.165 4.505 4.340 0.000 0.000 0.280 500 L C 1.272 178.150 176.870 0.013 0.000 1.111 500 L CA 0.421 55.262 54.840 0.002 0.000 0.909 500 L CB -0.555 41.423 42.059 -0.136 0.000 1.277 500 L HN 0.311 nan 8.230 nan 0.000 0.433 501 E N 1.195 121.403 120.200 0.014 0.000 2.230 501 E HA 0.031 4.381 4.350 0.000 0.000 0.192 501 E C 0.185 176.796 176.600 0.019 0.000 0.987 501 E CA 0.478 56.889 56.400 0.019 0.000 0.841 501 E CB 0.428 30.139 29.700 0.019 0.000 0.783 501 E HN 0.579 nan 8.360 nan 0.000 0.481 502 T N 0.216 114.771 114.554 0.002 0.000 2.889 502 T HA 0.113 4.463 4.350 0.000 0.000 0.315 502 T C -1.790 172.892 174.700 -0.030 0.000 1.291 502 T CA -0.986 61.116 62.100 0.003 0.000 1.028 502 T CB 1.384 70.254 68.868 0.004 0.000 1.235 502 T HN -0.221 nan 8.240 nan 0.000 0.491 503 D N 2.798 123.176 120.400 -0.036 0.000 2.525 503 D HA 0.319 4.959 4.640 0.000 0.000 0.235 503 D C 0.598 176.859 176.300 -0.065 0.000 1.137 503 D CA 0.682 54.640 54.000 -0.071 0.000 0.868 503 D CB 0.367 41.130 40.800 -0.061 0.000 1.180 503 D HN 0.681 nan 8.370 nan 0.000 0.465 504 R N 0.418 120.867 120.500 -0.086 0.000 2.710 504 R HA 0.618 4.958 4.340 0.000 0.000 0.270 504 R C -3.133 173.131 176.300 -0.061 0.000 1.021 504 R CA -1.719 54.346 56.100 -0.058 0.000 0.889 504 R CB 0.329 30.604 30.300 -0.042 0.000 1.243 504 R HN 0.000 nan 8.270 nan 0.000 0.464 505 P HA 0.116 nan 4.420 nan 0.000 0.267 505 P C -0.278 177.014 177.300 -0.013 0.000 1.209 505 P CA -0.161 62.924 63.100 -0.025 0.000 0.763 505 P CB 0.590 32.282 31.700 -0.013 0.000 0.816 506 L N 1.803 123.019 121.223 -0.011 0.000 2.638 506 L HA 0.157 4.497 4.340 0.000 0.000 0.232 506 L C 2.358 179.247 176.870 0.031 0.000 1.099 506 L CA 0.471 55.320 54.840 0.016 0.000 0.883 506 L CB -0.419 41.648 42.059 0.014 0.000 1.136 506 L HN 0.531 nan 8.230 nan 0.000 0.492 507 G N 0.301 109.113 108.800 0.020 0.000 2.529 507 G HA2 -0.327 3.633 3.960 0.000 0.000 0.219 507 G HA3 -0.327 3.633 3.960 0.000 0.000 0.219 507 G C 1.412 176.329 174.900 0.029 0.000 1.177 507 G CA 0.850 45.962 45.100 0.020 0.000 0.773 507 G HN 0.383 nan 8.290 nan 0.000 0.573 508 Q N -0.170 119.653 119.800 0.038 0.000 2.119 508 Q HA -0.063 4.277 4.340 0.000 0.000 0.201 508 Q C 2.540 178.594 176.000 0.091 0.000 0.972 508 Q CA 1.250 57.083 55.803 0.051 0.000 0.847 508 Q CB -0.087 28.677 28.738 0.043 0.000 0.903 508 Q HN 0.636 nan 8.270 nan 0.000 0.433 509 E N 0.530 120.803 120.200 0.121 0.000 2.106 509 E HA -0.147 4.203 4.350 0.000 0.000 0.192 509 E C 1.932 178.561 176.600 0.049 0.000 0.984 509 E CA 0.749 57.286 56.400 0.229 0.000 0.806 509 E CB -0.012 29.850 29.700 0.270 0.000 0.750 509 E HN 0.336 nan 8.360 nan 0.000 0.458 510 I N 1.140 121.707 120.570 -0.006 0.000 2.179 510 I HA -0.286 3.884 4.170 0.000 0.000 0.242 510 I C 2.540 178.626 176.117 -0.052 0.000 1.088 510 I CA 1.039 62.299 61.300 -0.067 0.000 1.357 510 I CB -0.295 37.691 38.000 -0.024 0.000 1.051 510 I HN 0.092 nan 8.210 nan 0.000 0.409 511 A N 0.672 123.492 122.820 -0.001 0.000 1.902 511 A HA -0.172 4.148 4.320 0.000 0.000 0.217 511 A C 2.537 180.135 177.584 0.024 0.000 1.181 511 A CA 1.915 53.956 52.037 0.008 0.000 0.623 511 A CB -0.883 18.130 19.000 0.022 0.000 0.818 511 A HN 0.436 nan 8.150 nan 0.000 0.443 512 A N -0.576 122.288 122.820 0.074 0.000 1.877 512 A HA -0.036 4.284 4.320 0.000 0.000 0.216 512 A C 2.134 179.801 177.584 0.138 0.000 1.186 512 A CA 1.768 53.886 52.037 0.135 0.000 0.620 512 A CB -0.655 18.486 19.000 0.234 0.000 0.822 512 A HN 0.671 nan 8.150 nan 0.000 0.443 513 L N -0.189 121.057 121.223 0.039 0.000 2.046 513 L HA -0.044 4.296 4.340 0.000 0.000 0.208 513 L C 2.668 179.448 176.870 -0.150 0.000 1.077 513 L CA 2.110 56.865 54.840 -0.142 0.000 0.747 513 L CB -0.902 40.800 42.059 -0.596 0.000 0.896 513 L HN 0.357 nan 8.230 nan 0.000 0.432 514 A N -1.602 121.130 122.820 -0.147 0.000 1.908 514 A HA -0.229 4.091 4.320 0.000 0.000 0.218 514 A C 2.266 179.788 177.584 -0.103 0.000 1.181 514 A CA 2.346 54.289 52.037 -0.156 0.000 0.627 514 A CB -1.235 17.705 19.000 -0.101 0.000 0.818 514 A HN 0.504 nan 8.150 nan 0.000 0.445 515 T N -1.401 113.138 114.554 -0.026 0.000 2.759 515 T HA -0.178 4.172 4.350 0.000 0.000 0.269 515 T C 1.849 176.554 174.700 0.010 0.000 1.042 515 T CA 1.943 64.047 62.100 0.007 0.000 1.140 515 T CB -0.398 68.494 68.868 0.041 0.000 0.864 515 T HN 0.802 nan 8.240 nan 0.000 0.455 516 H N 1.106 120.133 119.070 -0.072 0.000 2.326 516 H HA 0.107 4.663 4.556 0.000 0.000 0.301 516 H C 2.018 177.266 175.328 -0.134 0.000 1.081 516 H CA 1.227 57.236 56.048 -0.065 0.000 1.334 516 H CB -0.495 29.253 29.762 -0.023 0.000 1.385 516 H HN 0.237 nan 8.280 nan 0.000 0.504 517 L N -0.036 120.993 121.223 -0.323 0.000 2.127 517 L HA -0.187 4.153 4.340 0.000 0.000 0.211 517 L C 2.342 179.045 176.870 -0.279 0.000 1.089 517 L CA 1.053 55.554 54.840 -0.565 0.000 0.757 517 L CB -0.521 41.029 42.059 -0.849 0.000 0.899 517 L HN 0.337 nan 8.230 nan 0.000 0.434 518 L N -0.808 120.298 121.223 -0.196 0.000 2.275 518 L HA -0.168 4.172 4.340 0.000 0.000 0.215 518 L C 2.258 179.092 176.870 -0.060 0.000 1.119 518 L CA 1.043 55.835 54.840 -0.079 0.000 0.790 518 L CB -0.211 41.834 42.059 -0.022 0.000 0.919 518 L HN 0.384 nan 8.230 nan 0.000 0.443 519 Q N -1.553 118.124 119.800 -0.206 0.000 2.316 519 Q HA 0.181 4.521 4.340 0.000 0.000 0.235 519 Q C 0.022 175.584 176.000 -0.730 0.000 0.863 519 Q CA 0.088 55.730 55.803 -0.268 0.000 0.939 519 Q CB 0.974 29.666 28.738 -0.077 0.000 1.108 519 Q HN 0.433 nan 8.270 nan 0.000 0.522 520 Q N 0.006 119.363 119.800 -0.738 0.000 2.359 520 Q HA 0.460 4.800 4.340 0.000 0.000 0.274 520 Q C -1.241 174.658 176.000 -0.167 0.000 1.074 520 Q CA -0.392 55.051 55.803 -0.601 0.000 0.810 520 Q CB 2.692 31.175 28.738 -0.424 0.000 1.342 520 Q HN -0.053 nan 8.270 nan 0.000 0.427 521 S N 2.180 117.844 115.700 -0.061 0.000 2.687 521 S HA 0.562 5.032 4.470 0.000 0.000 0.283 521 S C -2.370 172.030 174.600 -0.332 0.000 1.170 521 S CA -1.106 57.013 58.200 -0.135 0.000 1.008 521 S CB 0.801 63.966 63.200 -0.060 0.000 1.026 521 S HN 0.423 nan 8.310 nan 0.000 0.541 522 P HA 0.346 nan 4.420 nan 0.000 0.287 522 P C -0.825 176.279 177.300 -0.326 0.000 1.307 522 P CA -0.206 62.501 63.100 -0.655 0.000 0.777 522 P CB 0.509 31.524 31.700 -1.143 0.000 0.883 523 V N 0.000 119.818 119.914 -0.160 0.000 2.409 523 V HA 0.000 4.120 4.120 0.000 0.000 0.244 523 V CA 0.000 62.241 62.300 -0.098 0.000 1.235 523 V CB 0.000 31.779 31.823 -0.072 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556