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 1geh_1_E DATA FIRST_RESID 12 DATA SEQUENCE YVDKGYEPSK KRDIIAVFRV TPAEGYTIEQ AAGAVAAESS TGTWTTLYPW DATA SEQUENCE YEQERWADLS AKAYDFHDMG DGSWIVRIAY PFHAFEEANL PGLLASIAGN DATA SEQUENCE IFGMKRVKGL RLEDLYFPEK LIREFDGPAF GIEGVRKMLE IKDRPIYGVV DATA SEQUENCE PKPKVGYSPE EFEKLAYDLL SNGADYMKDD ENLTSPWYNR FEERAEIMAK DATA SEQUENCE IIDKVENETG EKKTWFANIT ADLLEMEQRL EVLADLGLKH AMVDVVITGW DATA SEQUENCE GALRYIRDLA ADYGLAIHGH RAMHAAFTRN PYHGISMFVL AKLYRLIGID DATA SEQUENCE QLHVGTAXXX XXEGGKWDVI QNARILRESH YKPDENDVFH LEQKFYSIKA DATA SEQUENCE AFPTSSGGLH PGNIQPVIEA LGTDIVLQLG GGTLGHPDGP AAGARAVRQA DATA SEQUENCE IDAIMQGIPL DEYAKTHKEL ARALEKWGHV TP 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 12 Y HA 0.000 nan 4.550 nan 0.000 0.201 12 Y C 0.000 175.919 175.900 0.032 0.000 1.272 12 Y CA 0.000 58.118 58.100 0.031 0.000 1.940 12 Y CB 0.000 38.486 38.460 0.043 0.000 1.050 13 V N 4.051 124.036 119.914 0.119 0.000 2.516 13 V HA 0.412 4.533 4.120 0.002 0.000 0.271 13 V C -1.588 174.489 176.094 -0.030 0.000 0.992 13 V CA -0.327 61.955 62.300 -0.031 0.000 0.857 13 V CB 1.016 32.723 31.823 -0.194 0.000 1.047 13 V HN 0.509 nan 8.190 nan 0.000 0.455 14 D N 2.792 123.211 120.400 0.031 0.000 2.725 14 D HA 0.557 5.198 4.640 0.002 0.000 0.292 14 D C -0.850 175.510 176.300 0.101 0.000 1.288 14 D CA -0.710 53.324 54.000 0.057 0.000 0.784 14 D CB 2.456 43.353 40.800 0.161 0.000 1.308 14 D HN 0.301 nan 8.370 nan 0.000 0.429 15 K N -1.294 119.206 120.400 0.167 0.000 1.726 15 K HA 0.689 5.010 4.320 0.002 0.000 0.278 15 K C 0.470 177.211 176.600 0.236 0.000 0.842 15 K CA -0.643 55.757 56.287 0.188 0.000 0.597 15 K CB 0.892 33.518 32.500 0.210 0.000 2.677 15 K HN 0.423 nan 8.250 nan 0.000 0.945 16 G N 0.028 108.965 108.800 0.229 0.000 3.528 16 G HA2 0.052 4.013 3.960 0.002 0.000 0.266 16 G HA3 0.052 4.013 3.960 0.002 0.000 0.266 16 G C -0.343 174.696 174.900 0.231 0.000 1.004 16 G CA -0.068 45.154 45.100 0.205 0.000 0.853 16 G HN 0.445 nan 8.290 nan 0.000 0.501 17 Y N 1.469 121.832 120.300 0.105 0.000 2.914 17 Y HA 0.167 4.718 4.550 0.001 0.000 0.348 17 Y C 0.294 176.170 175.900 -0.040 0.000 1.278 17 Y CA 0.355 58.476 58.100 0.035 0.000 1.491 17 Y CB 0.587 39.066 38.460 0.032 0.000 1.334 17 Y HN 0.160 nan 8.280 nan 0.000 0.650 18 E N 6.786 126.509 120.200 -0.796 0.000 2.222 18 E HA 0.444 4.795 4.350 0.002 0.000 0.267 18 E C -2.726 173.249 176.600 -1.042 0.000 0.884 18 E CA -2.651 53.334 56.400 -0.691 0.000 0.764 18 E CB 1.612 31.076 29.700 -0.394 0.000 1.169 18 E HN 0.444 nan 8.360 nan 0.000 0.413 19 P HA 0.118 nan 4.420 nan 0.000 0.281 19 P C -1.056 176.128 177.300 -0.194 0.000 1.264 19 P CA -0.630 62.284 63.100 -0.310 0.000 0.824 19 P CB 1.646 33.153 31.700 -0.322 0.000 1.092 20 S N 0.544 116.216 115.700 -0.047 0.000 2.438 20 S HA 0.184 4.655 4.470 0.002 0.000 0.316 20 S C 1.077 175.726 174.600 0.081 0.000 1.084 20 S CA -0.787 57.415 58.200 0.003 0.000 1.107 20 S CB 0.052 63.277 63.200 0.042 0.000 0.981 20 S HN 0.404 nan 8.310 nan 0.000 0.466 21 K N 3.836 124.271 120.400 0.059 0.000 2.633 21 K HA 0.061 4.382 4.320 0.002 0.000 0.193 21 K C 0.801 177.549 176.600 0.247 0.000 1.033 21 K CA 0.610 56.992 56.287 0.157 0.000 0.980 21 K CB 0.012 32.546 32.500 0.057 0.000 0.800 21 K HN 0.347 nan 8.250 nan 0.000 0.493 22 K N 0.612 121.104 120.400 0.153 0.000 2.436 22 K HA 0.145 4.466 4.320 0.002 0.000 0.198 22 K C 1.468 178.104 176.600 0.060 0.000 1.174 22 K CA 0.262 56.600 56.287 0.086 0.000 0.951 22 K CB 0.715 33.237 32.500 0.036 0.000 1.040 22 K HN 0.195 nan 8.250 nan 0.000 0.536 23 R N 0.255 120.857 120.500 0.170 0.000 2.316 23 R HA 0.172 4.513 4.340 0.002 0.000 0.201 23 R C -0.185 176.387 176.300 0.453 0.000 0.888 23 R CA -0.002 56.304 56.100 0.343 0.000 1.041 23 R CB 0.774 31.288 30.300 0.357 0.000 1.115 23 R HN -0.025 nan 8.270 nan 0.000 0.559 24 D N 1.140 121.740 120.400 0.334 0.000 2.163 24 D HA 0.323 4.964 4.640 0.002 0.000 0.248 24 D C -0.289 176.244 176.300 0.388 0.000 1.035 24 D CA -0.277 53.926 54.000 0.338 0.000 0.872 24 D CB 2.113 43.068 40.800 0.258 0.000 1.183 24 D HN -0.060 nan 8.370 nan 0.000 0.445 25 I N 2.293 123.101 120.570 0.397 0.000 2.353 25 I HA 0.311 4.482 4.170 0.002 0.000 0.293 25 I C 0.119 176.476 176.117 0.401 0.000 0.992 25 I CA -0.552 60.960 61.300 0.354 0.000 1.268 25 I CB 1.154 39.367 38.000 0.354 0.000 1.387 25 I HN 0.090 nan 8.210 nan 0.000 0.478 26 I N 5.663 126.442 120.570 0.348 0.000 2.406 26 I HA 0.503 4.674 4.170 0.002 0.000 0.290 26 I C -0.008 176.181 176.117 0.120 0.000 0.999 26 I CA -0.485 60.989 61.300 0.290 0.000 1.124 26 I CB 1.858 40.029 38.000 0.285 0.000 1.289 26 I HN 0.574 nan 8.210 nan 0.000 0.441 27 A N 6.540 129.409 122.820 0.081 0.000 2.304 27 A HA 0.746 5.067 4.320 0.002 0.000 0.323 27 A C -0.675 176.696 177.584 -0.354 0.000 1.195 27 A CA -0.485 51.422 52.037 -0.217 0.000 0.826 27 A CB 1.160 20.026 19.000 -0.224 0.000 1.184 27 A HN 0.448 nan 8.150 nan 0.000 0.496 28 V N 3.510 123.174 119.914 -0.417 0.000 2.328 28 V HA 0.460 4.581 4.120 0.002 0.000 0.278 28 V C -0.827 175.061 176.094 -0.343 0.000 1.021 28 V CA -0.115 62.022 62.300 -0.271 0.000 0.838 28 V CB 0.182 31.956 31.823 -0.081 0.000 0.999 28 V HN 0.725 nan 8.190 nan 0.000 0.447 29 F N 3.070 123.015 119.950 -0.009 0.000 2.509 29 F HA 0.668 5.195 4.527 0.001 0.000 0.334 29 F C 0.611 176.443 175.800 0.054 0.000 1.060 29 F CA -1.167 56.837 58.000 0.007 0.000 0.997 29 F CB 1.572 40.551 39.000 -0.035 0.000 1.271 29 F HN 0.241 nan 8.300 nan 0.000 0.488 30 R N 1.550 122.247 120.500 0.329 0.000 2.443 30 R HA 0.543 4.884 4.340 0.002 0.000 0.287 30 R C -2.020 174.428 176.300 0.246 0.000 1.425 30 R CA -0.259 55.988 56.100 0.245 0.000 1.300 30 R CB 0.663 31.067 30.300 0.172 0.000 1.129 30 R HN 0.496 nan 8.270 nan 0.000 0.577 31 V N 2.731 122.796 119.914 0.253 0.000 2.461 31 V HA 0.296 4.417 4.120 0.002 0.000 0.275 31 V C 0.297 176.574 176.094 0.304 0.000 1.047 31 V CA -0.290 62.142 62.300 0.219 0.000 0.955 31 V CB 1.607 33.508 31.823 0.130 0.000 0.988 31 V HN 0.554 nan 8.190 nan 0.000 0.471 32 T N 7.486 122.203 114.554 0.273 0.000 2.893 32 T HA 0.369 4.720 4.350 0.002 0.000 0.324 32 T C -2.532 172.294 174.700 0.211 0.000 1.082 32 T CA -1.119 61.157 62.100 0.294 0.000 0.983 32 T CB 1.441 70.495 68.868 0.310 0.000 1.005 32 T HN 0.442 nan 8.240 nan 0.000 0.475 33 P HA 0.244 nan 4.420 nan 0.000 0.269 33 P C -0.072 177.328 177.300 0.167 0.000 1.217 33 P CA -0.190 63.006 63.100 0.159 0.000 0.783 33 P CB 0.523 32.326 31.700 0.172 0.000 0.898 34 A N 2.026 124.955 122.820 0.182 0.000 2.495 34 A HA 0.110 4.431 4.320 0.002 0.000 0.260 34 A C 1.442 179.195 177.584 0.282 0.000 1.608 34 A CA 0.255 52.431 52.037 0.233 0.000 0.834 34 A CB -0.496 18.661 19.000 0.261 0.000 1.526 34 A HN 0.483 nan 8.150 nan 0.000 0.578 35 E N 0.018 120.379 120.200 0.269 0.000 1.987 35 E HA -0.014 4.337 4.350 0.002 0.000 0.198 35 E C 1.670 178.274 176.600 0.007 0.000 0.968 35 E CA 1.265 57.736 56.400 0.118 0.000 0.867 35 E CB -1.305 28.433 29.700 0.064 0.000 0.819 35 E HN 0.687 nan 8.360 nan 0.000 0.516 36 G N 0.666 109.331 108.800 -0.225 0.000 3.266 36 G HA2 0.101 4.062 3.960 0.002 0.000 0.238 36 G HA3 0.101 4.062 3.960 0.002 0.000 0.238 36 G C -0.669 173.807 174.900 -0.707 0.000 1.076 36 G CA 0.222 45.068 45.100 -0.423 0.000 1.804 36 G HN 0.044 nan 8.290 nan 0.000 0.600 37 Y N -1.295 119.013 120.300 0.014 0.000 2.492 37 Y HA 0.533 5.084 4.550 0.001 0.000 0.346 37 Y C 0.349 176.249 175.900 -0.000 0.000 0.997 37 Y CA -0.992 57.112 58.100 0.006 0.000 1.025 37 Y CB 2.375 40.845 38.460 0.016 0.000 1.263 37 Y HN 0.020 nan 8.280 nan 0.000 0.454 38 T N 2.023 116.659 114.554 0.137 0.000 2.925 38 T HA 0.355 4.706 4.350 0.002 0.000 0.285 38 T C 1.073 175.756 174.700 -0.029 0.000 1.021 38 T CA -0.584 61.526 62.100 0.016 0.000 1.042 38 T CB 0.595 69.437 68.868 -0.043 0.000 1.037 38 T HN 0.569 nan 8.240 nan 0.000 0.481 39 I N 2.566 123.022 120.570 -0.191 0.000 2.381 39 I HA -0.162 4.009 4.170 0.002 0.000 0.255 39 I C 2.278 178.408 176.117 0.023 0.000 1.140 39 I CA 1.193 62.375 61.300 -0.197 0.000 1.404 39 I CB -0.535 37.080 38.000 -0.642 0.000 1.075 39 I HN 0.595 nan 8.210 nan 0.000 0.433 40 E N 1.339 121.487 120.200 -0.085 0.000 2.051 40 E HA -0.244 4.107 4.350 0.002 0.000 0.192 40 E C 2.171 178.823 176.600 0.087 0.000 0.991 40 E CA 1.462 57.843 56.400 -0.031 0.000 0.799 40 E CB -0.601 29.018 29.700 -0.136 0.000 0.748 40 E HN 0.690 nan 8.360 nan 0.000 0.449 41 Q N 0.352 120.195 119.800 0.071 0.000 2.245 41 Q HA 0.096 4.437 4.340 0.002 0.000 0.201 41 Q C 2.019 178.063 176.000 0.073 0.000 0.955 41 Q CA 1.040 56.908 55.803 0.109 0.000 0.870 41 Q CB -0.013 28.835 28.738 0.183 0.000 0.945 41 Q HN 0.258 nan 8.270 nan 0.000 0.461 42 A N 1.367 124.214 122.820 0.046 0.000 1.831 42 A HA 0.053 4.374 4.320 0.002 0.000 0.213 42 A C 2.337 179.914 177.584 -0.011 0.000 1.223 42 A CA 1.139 53.166 52.037 -0.017 0.000 0.604 42 A CB -1.154 17.845 19.000 -0.002 0.000 0.878 42 A HN 0.333 nan 8.150 nan 0.000 0.450 43 A N -0.467 122.364 122.820 0.019 0.000 1.958 43 A HA -0.032 4.289 4.320 0.002 0.000 0.221 43 A C 2.360 179.949 177.584 0.009 0.000 1.178 43 A CA 2.341 54.361 52.037 -0.030 0.000 0.642 43 A CB -1.499 17.447 19.000 -0.090 0.000 0.816 43 A HN 0.859 nan 8.150 nan 0.000 0.453 44 G N -0.822 108.036 108.800 0.096 0.000 2.421 44 G HA2 0.015 3.976 3.960 0.002 0.000 0.216 44 G HA3 0.015 3.976 3.960 0.002 0.000 0.216 44 G C 1.767 176.718 174.900 0.085 0.000 1.171 44 G CA 1.464 46.637 45.100 0.121 0.000 0.775 44 G HN 0.841 nan 8.290 nan 0.000 0.543 45 A N 0.122 122.986 122.820 0.074 0.000 1.877 45 A HA 0.079 4.400 4.320 0.002 0.000 0.216 45 A C 2.606 180.176 177.584 -0.022 0.000 1.186 45 A CA 1.807 53.868 52.037 0.040 0.000 0.620 45 A CB -0.833 18.152 19.000 -0.024 0.000 0.822 45 A HN 0.244 nan 8.150 nan 0.000 0.443 46 V N -0.059 119.806 119.914 -0.080 0.000 2.215 46 V HA -0.344 3.777 4.120 0.002 0.000 0.249 46 V C 3.090 179.142 176.094 -0.069 0.000 1.054 46 V CA 2.436 64.646 62.300 -0.151 0.000 1.012 46 V CB -1.405 30.244 31.823 -0.290 0.000 0.639 46 V HN 0.669 nan 8.190 nan 0.000 0.448 47 A N -0.117 122.679 122.820 -0.042 0.000 1.869 47 A HA -0.288 4.033 4.320 0.002 0.000 0.218 47 A C 2.426 180.005 177.584 -0.008 0.000 1.203 47 A CA 3.072 55.101 52.037 -0.014 0.000 0.638 47 A CB -1.270 17.670 19.000 -0.100 0.000 0.831 47 A HN 0.771 nan 8.150 nan 0.000 0.450 48 A N -0.931 121.864 122.820 -0.041 0.000 1.986 48 A HA -0.216 4.105 4.320 0.002 0.000 0.220 48 A C 1.971 179.562 177.584 0.011 0.000 1.171 48 A CA 2.453 54.466 52.037 -0.041 0.000 0.640 48 A CB -0.470 18.506 19.000 -0.040 0.000 0.811 48 A HN 0.613 nan 8.150 nan 0.000 0.451 49 E N 0.545 120.757 120.200 0.020 0.000 2.112 49 E HA -0.072 4.279 4.350 0.002 0.000 0.190 49 E C 1.839 178.461 176.600 0.036 0.000 0.979 49 E CA 1.349 57.765 56.400 0.027 0.000 0.814 49 E CB -0.268 29.432 29.700 0.000 0.000 0.762 49 E HN 0.597 nan 8.360 nan 0.000 0.460 50 S N -0.700 115.037 115.700 0.062 0.000 2.743 50 S HA 0.213 4.684 4.470 0.002 0.000 0.230 50 S C 0.633 175.352 174.600 0.198 0.000 0.950 50 S CA 0.230 58.499 58.200 0.114 0.000 0.976 50 S CB -0.425 62.875 63.200 0.167 0.000 0.779 50 S HN 0.259 nan 8.310 nan 0.000 0.487 51 S N 0.727 116.491 115.700 0.106 0.000 4.226 51 S HA 0.445 4.916 4.470 0.002 0.000 0.268 51 S C 0.369 174.914 174.600 -0.092 0.000 1.036 51 S CA 0.107 58.328 58.200 0.035 0.000 1.278 51 S CB -0.021 63.201 63.200 0.037 0.000 1.727 51 S HN 0.580 nan 8.310 nan 0.000 0.608 52 T N 0.475 114.877 114.554 -0.253 0.000 2.652 52 T HA 0.485 4.836 4.350 0.002 0.000 0.345 52 T C 1.181 175.850 174.700 -0.053 0.000 1.051 52 T CA 0.096 61.978 62.100 -0.364 0.000 1.021 52 T CB -1.290 66.947 68.868 -1.052 0.000 1.141 52 T HN 1.568 nan 8.240 nan 0.000 0.518 53 G N 0.313 109.276 108.800 0.272 0.000 2.238 53 G HA2 0.242 4.203 3.960 0.002 0.000 0.234 53 G HA3 0.242 4.203 3.960 0.002 0.000 0.234 53 G C 0.970 176.056 174.900 0.311 0.000 1.181 53 G CA 0.090 45.457 45.100 0.444 0.000 0.871 53 G HN 1.146 nan 8.290 nan 0.000 0.490 54 T N -1.549 113.162 114.554 0.262 0.000 3.086 54 T HA 0.240 4.591 4.350 0.002 0.000 0.250 54 T C 0.291 175.208 174.700 0.362 0.000 1.074 54 T CA 0.083 62.323 62.100 0.235 0.000 0.988 54 T CB 0.180 69.151 68.868 0.172 0.000 0.988 54 T HN 0.599 nan 8.240 nan 0.000 0.530 55 W N 0.698 122.076 121.300 0.130 0.000 3.121 55 W HA 0.600 5.262 4.660 0.003 0.000 0.415 55 W C -1.751 174.811 176.519 0.072 0.000 1.059 55 W CA -0.648 56.763 57.345 0.109 0.000 1.185 55 W CB 1.116 30.629 29.460 0.088 0.000 1.478 55 W HN -0.130 nan 8.180 nan 0.000 0.615 56 T N 1.790 116.077 114.554 -0.446 0.000 3.829 56 T HA 0.174 4.525 4.350 0.002 0.000 0.332 56 T C -0.784 173.431 174.700 -0.810 0.000 0.845 56 T CA -0.546 61.267 62.100 -0.478 0.000 1.010 56 T CB 0.750 69.342 68.868 -0.461 0.000 1.051 56 T HN 0.480 nan 8.240 nan 0.000 0.465 57 T N 3.656 118.039 114.554 -0.286 0.000 2.939 57 T HA 0.072 4.423 4.350 0.002 0.000 0.312 57 T C 0.981 175.546 174.700 -0.225 0.000 1.064 57 T CA -0.381 61.633 62.100 -0.144 0.000 1.136 57 T CB 0.006 68.989 68.868 0.193 0.000 1.035 57 T HN 0.375 nan 8.240 nan 0.000 0.538 58 L N 6.995 128.163 121.223 -0.092 0.000 2.912 58 L HA 0.233 4.574 4.340 0.002 0.000 0.246 58 L C -0.230 176.754 176.870 0.189 0.000 1.371 58 L CA 0.574 55.409 54.840 -0.008 0.000 1.196 58 L CB -2.539 39.547 42.059 0.045 0.000 1.596 58 L HN 0.859 nan 8.230 nan 0.000 0.429 59 Y N -1.950 118.331 120.300 -0.032 0.000 1.998 59 Y HA 0.277 4.828 4.550 0.002 0.000 0.311 59 Y C -3.184 172.726 175.900 0.017 0.000 1.290 59 Y CA -1.956 56.133 58.100 -0.018 0.000 1.671 59 Y CB -0.374 38.097 38.460 0.019 0.000 1.259 59 Y HN 0.024 nan 8.280 nan 0.000 0.382 60 P HA 0.080 nan 4.420 nan 0.000 0.267 60 P C 0.171 177.191 177.300 -0.467 0.000 1.209 60 P CA 0.280 62.988 63.100 -0.652 0.000 0.763 60 P CB 0.199 31.434 31.700 -0.774 0.000 0.816 61 W N 3.799 124.798 121.300 -0.502 0.000 2.846 61 W HA 0.283 4.945 4.660 0.003 0.000 0.391 61 W C -1.057 175.450 176.519 -0.020 0.000 1.011 61 W CA -0.572 56.662 57.345 -0.184 0.000 1.832 61 W CB -0.989 28.392 29.460 -0.132 0.000 1.151 61 W HN 0.325 nan 8.180 nan 0.000 0.582 62 Y N -1.247 118.647 120.300 -0.677 0.000 2.625 62 Y HA 0.574 5.124 4.550 0.001 0.000 0.338 62 Y C -0.438 175.249 175.900 -0.356 0.000 1.123 62 Y CA -2.212 55.503 58.100 -0.641 0.000 1.046 62 Y CB 0.467 38.274 38.460 -1.089 0.000 1.299 62 Y HN -0.042 nan 8.280 nan 0.000 0.464 63 E N 2.083 122.207 120.200 -0.126 0.000 2.159 63 E HA 0.043 4.394 4.350 0.002 0.000 0.272 63 E C 0.081 176.696 176.600 0.026 0.000 1.138 63 E CA 0.020 56.364 56.400 -0.093 0.000 0.915 63 E CB 0.785 30.472 29.700 -0.022 0.000 1.028 63 E HN 0.884 nan 8.360 nan 0.000 0.423 64 Q N 2.940 122.668 119.800 -0.120 0.000 2.170 64 Q HA -0.216 4.125 4.340 0.002 0.000 0.203 64 Q C 1.191 177.295 176.000 0.172 0.000 0.976 64 Q CA 1.558 57.381 55.803 0.032 0.000 0.858 64 Q CB 0.093 28.746 28.738 -0.142 0.000 0.907 64 Q HN 0.581 nan 8.270 nan 0.000 0.433 65 E N 0.696 120.944 120.200 0.079 0.000 2.077 65 E HA -0.173 4.178 4.350 0.002 0.000 0.193 65 E C 1.826 178.480 176.600 0.090 0.000 0.989 65 E CA 0.988 57.433 56.400 0.075 0.000 0.800 65 E CB -0.113 29.605 29.700 0.030 0.000 0.746 65 E HN 0.216 nan 8.360 nan 0.000 0.452 66 R N -0.546 120.008 120.500 0.091 0.000 2.066 66 R HA -0.160 4.181 4.340 0.002 0.000 0.232 66 R C 2.009 178.341 176.300 0.054 0.000 1.131 66 R CA 1.417 57.551 56.100 0.058 0.000 0.955 66 R CB -0.436 29.891 30.300 0.046 0.000 0.851 66 R HN 0.304 nan 8.270 nan 0.000 0.432 67 W N 1.066 122.347 121.300 -0.032 0.000 2.304 67 W HA -0.282 4.378 4.660 -0.000 0.000 0.328 67 W C 2.175 178.649 176.519 -0.075 0.000 1.242 67 W CA 2.825 60.132 57.345 -0.063 0.000 1.243 67 W CB -0.781 28.701 29.460 0.037 0.000 1.170 67 W HN 0.230 nan 8.180 nan 0.000 0.460 68 A N -0.223 122.748 122.820 0.252 0.000 1.986 68 A HA -0.316 4.005 4.320 0.002 0.000 0.220 68 A C 1.669 179.167 177.584 -0.143 0.000 1.171 68 A CA 2.484 54.543 52.037 0.037 0.000 0.640 68 A CB -1.288 17.843 19.000 0.219 0.000 0.811 68 A HN 0.510 nan 8.150 nan 0.000 0.451 69 D N -0.430 119.914 120.400 -0.092 0.000 2.219 69 D HA -0.054 4.587 4.640 0.002 0.000 0.205 69 D C 1.470 177.645 176.300 -0.209 0.000 0.970 69 D CA 0.950 54.896 54.000 -0.089 0.000 0.851 69 D CB -0.159 40.639 40.800 -0.005 0.000 0.943 69 D HN 0.464 nan 8.370 nan 0.000 0.488 70 L N -0.215 120.800 121.223 -0.347 0.000 2.607 70 L HA 0.227 4.568 4.340 0.002 0.000 0.228 70 L C 0.576 177.160 176.870 -0.476 0.000 1.123 70 L CA -0.186 54.372 54.840 -0.471 0.000 0.890 70 L CB 0.206 41.970 42.059 -0.491 0.000 1.103 70 L HN -0.187 nan 8.230 nan 0.000 0.468 71 S N 1.055 116.450 115.700 -0.509 0.000 2.549 71 S HA 0.447 4.918 4.470 0.002 0.000 0.283 71 S C 0.665 175.044 174.600 -0.368 0.000 1.320 71 S CA -0.427 57.475 58.200 -0.497 0.000 1.058 71 S CB 1.459 64.305 63.200 -0.590 0.000 0.882 71 S HN 0.301 nan 8.310 nan 0.000 0.498 72 A N 2.980 125.600 122.820 -0.334 0.000 2.296 72 A HA 0.703 5.024 4.320 0.002 0.000 0.276 72 A C 0.101 177.440 177.584 -0.408 0.000 1.356 72 A CA -0.443 51.334 52.037 -0.433 0.000 0.825 72 A CB 0.254 18.859 19.000 -0.659 0.000 1.308 72 A HN 0.876 nan 8.150 nan 0.000 0.515 73 K N -2.106 118.037 120.400 -0.429 0.000 2.577 73 K HA 0.502 4.823 4.320 0.002 0.000 0.267 73 K C -1.048 175.446 176.600 -0.176 0.000 0.979 73 K CA -0.148 55.961 56.287 -0.297 0.000 0.942 73 K CB 0.631 32.898 32.500 -0.387 0.000 1.343 73 K HN 1.102 nan 8.250 nan 0.000 0.436 74 A N 3.549 126.310 122.820 -0.098 0.000 2.444 74 A HA 0.272 4.593 4.320 0.002 0.000 0.287 74 A C 0.172 177.801 177.584 0.073 0.000 1.195 74 A CA -0.246 51.722 52.037 -0.115 0.000 0.858 74 A CB -0.767 18.147 19.000 -0.143 0.000 1.117 74 A HN 0.862 nan 8.150 nan 0.000 0.521 75 Y N 0.467 120.772 120.300 0.009 0.000 2.481 75 Y HA 0.442 4.992 4.550 0.001 0.000 0.258 75 Y C 0.013 176.051 175.900 0.229 0.000 1.103 75 Y CA -0.283 57.912 58.100 0.159 0.000 1.287 75 Y CB 0.471 39.063 38.460 0.220 0.000 1.108 75 Y HN 0.441 nan 8.280 nan 0.000 0.529 76 D N 0.399 120.592 120.400 -0.344 0.000 2.855 76 D HA 0.304 4.945 4.640 0.002 0.000 0.241 76 D C -1.752 174.519 176.300 -0.049 0.000 1.277 76 D CA -0.662 53.279 54.000 -0.098 0.000 0.918 76 D CB 1.081 41.680 40.800 -0.334 0.000 1.462 76 D HN -0.038 nan 8.370 nan 0.000 0.559 77 F N 2.183 122.163 119.950 0.049 0.000 2.538 77 F HA 0.514 5.042 4.527 0.002 0.000 0.325 77 F C 0.253 176.260 175.800 0.346 0.000 1.066 77 F CA -0.666 57.444 58.000 0.183 0.000 0.946 77 F CB 1.770 40.838 39.000 0.114 0.000 1.199 77 F HN 0.324 nan 8.300 nan 0.000 0.473 78 H N 1.136 120.545 119.070 0.565 0.000 3.026 78 H HA 0.192 4.749 4.556 0.001 0.000 0.352 78 H C -1.996 173.362 175.328 0.050 0.000 1.090 78 H CA -0.686 55.535 56.048 0.289 0.000 1.268 78 H CB 2.014 31.818 29.762 0.071 0.000 1.816 78 H HN 0.583 nan 8.280 nan 0.000 0.518 79 D N 4.912 124.913 120.400 -0.665 0.000 2.280 79 D HA 0.113 4.754 4.640 0.002 0.000 0.243 79 D C 1.164 177.098 176.300 -0.609 0.000 1.129 79 D CA -0.399 52.847 54.000 -1.256 0.000 0.848 79 D CB 0.999 40.914 40.800 -1.475 0.000 1.107 79 D HN 0.484 nan 8.370 nan 0.000 0.471 80 M N 2.054 121.408 119.600 -0.410 0.000 2.506 80 M HA 0.141 4.622 4.480 0.002 0.000 0.260 80 M C 1.313 177.512 176.300 -0.168 0.000 1.104 80 M CA 0.664 55.872 55.300 -0.153 0.000 1.112 80 M CB -0.325 32.232 32.600 -0.072 0.000 1.401 80 M HN 0.709 nan 8.290 nan 0.000 0.473 81 G N 1.220 109.864 108.800 -0.261 0.000 2.132 81 G HA2 -0.204 3.757 3.960 0.002 0.000 0.228 81 G HA3 -0.204 3.757 3.960 0.002 0.000 0.228 81 G C 0.112 174.981 174.900 -0.052 0.000 1.000 81 G CA 0.470 45.478 45.100 -0.153 0.000 0.693 81 G HN 0.424 nan 8.290 nan 0.000 0.515 82 D N -0.594 119.793 120.400 -0.021 0.000 2.454 82 D HA 0.382 5.023 4.640 0.002 0.000 0.214 82 D C 1.936 178.311 176.300 0.124 0.000 1.088 82 D CA 1.379 55.440 54.000 0.101 0.000 0.855 82 D CB 0.139 41.092 40.800 0.253 0.000 1.025 82 D HN 1.435 nan 8.370 nan 0.000 0.502 83 G N 0.865 109.718 108.800 0.089 0.000 2.163 83 G HA2 -0.204 3.756 3.960 0.002 0.000 0.213 83 G HA3 -0.204 3.756 3.960 0.002 0.000 0.213 83 G C 0.262 175.348 174.900 0.310 0.000 0.991 83 G CA 0.309 45.530 45.100 0.202 0.000 0.653 83 G HN 0.464 nan 8.290 nan 0.000 0.518 84 S N -0.853 114.971 115.700 0.207 0.000 2.503 84 S HA 0.834 5.305 4.470 0.002 0.000 0.301 84 S C -0.833 173.823 174.600 0.094 0.000 1.087 84 S CA -0.857 57.519 58.200 0.293 0.000 1.042 84 S CB 1.966 65.344 63.200 0.296 0.000 1.043 84 S HN 0.536 nan 8.310 nan 0.000 0.489 85 W N 0.915 122.314 121.300 0.165 0.000 2.844 85 W HA 0.559 5.219 4.660 0.001 0.000 0.340 85 W C -0.591 176.004 176.519 0.126 0.000 1.093 85 W CA -1.120 56.323 57.345 0.164 0.000 1.212 85 W CB 1.194 30.764 29.460 0.184 0.000 1.422 85 W HN 0.453 nan 8.180 nan 0.000 0.515 86 I N 4.309 125.068 120.570 0.314 0.000 2.268 86 I HA 0.156 4.327 4.170 0.002 0.000 0.290 86 I C -0.003 176.175 176.117 0.101 0.000 1.125 86 I CA -0.535 60.857 61.300 0.154 0.000 1.236 86 I CB -0.746 37.225 38.000 -0.048 0.000 1.469 86 I HN 0.061 nan 8.210 nan 0.000 0.512 87 V N 7.298 127.239 119.914 0.044 0.000 2.863 87 V HA 0.460 4.581 4.120 0.002 0.000 0.307 87 V C 0.510 176.474 176.094 -0.216 0.000 1.061 87 V CA -0.765 61.393 62.300 -0.236 0.000 1.024 87 V CB 1.815 33.407 31.823 -0.386 0.000 1.049 87 V HN 0.583 nan 8.190 nan 0.000 0.471 88 R N 2.797 123.044 120.500 -0.422 0.000 2.575 88 R HA 0.683 5.024 4.340 0.002 0.000 0.293 88 R C -1.458 174.606 176.300 -0.394 0.000 0.983 88 R CA -0.554 55.302 56.100 -0.407 0.000 0.887 88 R CB 2.055 31.969 30.300 -0.643 0.000 1.184 88 R HN 0.566 nan 8.270 nan 0.000 0.445 89 I N 1.762 122.243 120.570 -0.148 0.000 2.509 89 I HA 0.527 4.698 4.170 0.002 0.000 0.293 89 I C -0.217 175.834 176.117 -0.110 0.000 1.020 89 I CA -0.942 60.264 61.300 -0.156 0.000 1.088 89 I CB 2.148 40.044 38.000 -0.173 0.000 1.267 89 I HN 0.613 nan 8.210 nan 0.000 0.430 90 A N 6.048 128.795 122.820 -0.122 0.000 2.317 90 A HA 0.799 5.120 4.320 0.002 0.000 0.327 90 A C -1.550 175.846 177.584 -0.313 0.000 1.178 90 A CA -0.288 51.733 52.037 -0.027 0.000 0.817 90 A CB 0.622 19.687 19.000 0.108 0.000 1.189 90 A HN 0.608 nan 8.150 nan 0.000 0.489 91 Y N 1.386 121.746 120.300 0.100 0.000 2.425 91 Y HA 0.455 5.007 4.550 0.004 0.000 0.344 91 Y C -2.458 173.465 175.900 0.037 0.000 0.969 91 Y CA -2.527 55.596 58.100 0.039 0.000 1.052 91 Y CB 2.094 40.661 38.460 0.178 0.000 1.215 91 Y HN 0.460 nan 8.280 nan 0.000 0.451 92 P HA 0.017 nan 4.420 nan 0.000 0.271 92 P C 0.552 177.791 177.300 -0.102 0.000 1.233 92 P CA -0.098 62.973 63.100 -0.048 0.000 0.764 92 P CB 0.076 31.594 31.700 -0.303 0.000 0.825 93 F N 3.808 123.846 119.950 0.148 0.000 2.192 93 F HA -0.251 4.276 4.527 0.000 0.000 0.301 93 F C 1.596 177.468 175.800 0.119 0.000 1.079 93 F CA 1.353 59.466 58.000 0.188 0.000 1.303 93 F CB -1.334 37.780 39.000 0.190 0.000 1.024 93 F HN 0.449 nan 8.300 nan 0.000 0.494 94 H N -0.278 118.100 119.070 -1.154 0.000 2.607 94 H HA 0.544 5.100 4.556 0.001 0.000 0.288 94 H C 1.205 176.256 175.328 -0.461 0.000 1.058 94 H CA 0.408 55.971 56.048 -0.808 0.000 1.178 94 H CB -0.505 28.693 29.762 -0.941 0.000 1.340 94 H HN 0.457 nan 8.280 nan 0.000 0.591 95 A N 0.191 122.560 122.820 -0.753 0.000 2.303 95 A HA 0.309 4.630 4.320 0.002 0.000 0.217 95 A C -0.265 176.882 177.584 -0.727 0.000 1.205 95 A CA -0.296 51.236 52.037 -0.842 0.000 0.875 95 A CB 0.188 18.568 19.000 -1.034 0.000 0.910 95 A HN 0.170 nan 8.150 nan 0.000 0.501 96 F N -0.423 119.458 119.950 -0.114 0.000 2.575 96 F HA 0.489 5.017 4.527 0.002 0.000 0.330 96 F C 0.442 176.225 175.800 -0.028 0.000 1.056 96 F CA -1.630 56.333 58.000 -0.062 0.000 0.964 96 F CB 0.831 39.810 39.000 -0.035 0.000 1.258 96 F HN 0.079 nan 8.300 nan 0.000 0.484 97 E N 0.614 120.932 120.200 0.196 0.000 2.383 97 E HA 0.133 4.484 4.350 0.002 0.000 0.264 97 E C -0.925 175.730 176.600 0.092 0.000 1.050 97 E CA -0.500 55.958 56.400 0.097 0.000 0.896 97 E CB 0.670 30.402 29.700 0.052 0.000 0.982 97 E HN 0.497 nan 8.360 nan 0.000 0.424 98 E N 1.732 121.969 120.200 0.061 0.000 2.384 98 E HA 0.234 4.585 4.350 0.002 0.000 0.266 98 E C -0.156 176.421 176.600 -0.039 0.000 1.012 98 E CA 0.682 57.104 56.400 0.036 0.000 0.901 98 E CB 0.840 30.557 29.700 0.028 0.000 0.967 98 E HN 0.648 nan 8.360 nan 0.000 0.435 99 A N 3.806 126.565 122.820 -0.103 0.000 2.364 99 A HA -0.242 4.079 4.320 0.002 0.000 0.288 99 A C 0.142 177.610 177.584 -0.193 0.000 1.433 99 A CA 0.835 52.725 52.037 -0.244 0.000 0.757 99 A CB -1.544 17.295 19.000 -0.268 0.000 1.098 99 A HN 0.465 nan 8.150 nan 0.000 0.380 100 N N 0.088 118.708 118.700 -0.134 0.000 2.733 100 N HA 0.277 5.018 4.740 0.002 0.000 0.271 100 N C 0.544 175.994 175.510 -0.099 0.000 1.720 100 N CA -0.180 52.815 53.050 -0.092 0.000 0.803 100 N CB 0.321 38.781 38.487 -0.045 0.000 1.208 100 N HN 0.403 nan 8.380 nan 0.000 0.498 101 L N 3.147 124.307 121.223 -0.105 0.000 2.043 101 L HA 0.078 4.419 4.340 0.002 0.000 0.212 101 L C -0.998 175.781 176.870 -0.152 0.000 1.075 101 L CA 2.279 57.067 54.840 -0.087 0.000 0.752 101 L CB -0.970 41.094 42.059 0.010 0.000 0.891 101 L HN 0.280 nan 8.230 nan 0.000 0.432 102 P HA -0.108 nan 4.420 nan 0.000 0.215 102 P C 1.580 178.821 177.300 -0.099 0.000 1.153 102 P CA 1.828 64.888 63.100 -0.066 0.000 0.853 102 P CB -0.381 31.341 31.700 0.035 0.000 0.788 103 G N -0.669 108.081 108.800 -0.083 0.000 2.443 103 G HA2 -0.201 3.760 3.960 0.002 0.000 0.219 103 G HA3 -0.201 3.760 3.960 0.002 0.000 0.219 103 G C 1.413 176.217 174.900 -0.160 0.000 1.131 103 G CA 0.271 45.324 45.100 -0.078 0.000 0.775 103 G HN 0.196 nan 8.290 nan 0.000 0.547 104 L N 0.427 121.497 121.223 -0.255 0.000 2.023 104 L HA 0.217 4.558 4.340 0.002 0.000 0.205 104 L C 2.631 179.260 176.870 -0.402 0.000 1.073 104 L CA 1.271 55.826 54.840 -0.476 0.000 0.745 104 L CB -0.510 41.283 42.059 -0.444 0.000 0.900 104 L HN 0.166 nan 8.230 nan 0.000 0.435 105 L N -0.290 120.735 121.223 -0.329 0.000 2.261 105 L HA -0.175 4.166 4.340 0.002 0.000 0.216 105 L C 2.529 179.287 176.870 -0.186 0.000 1.114 105 L CA 0.947 55.605 54.840 -0.304 0.000 0.777 105 L CB -0.880 40.917 42.059 -0.436 0.000 0.910 105 L HN 0.387 nan 8.230 nan 0.000 0.440 106 A N -1.292 121.439 122.820 -0.149 0.000 2.067 106 A HA -0.111 4.210 4.320 0.002 0.000 0.219 106 A C 2.429 179.973 177.584 -0.066 0.000 1.158 106 A CA 1.813 53.806 52.037 -0.073 0.000 0.661 106 A CB -0.185 18.789 19.000 -0.042 0.000 0.801 106 A HN 0.368 nan 8.150 nan 0.000 0.452 107 S N -0.735 114.893 115.700 -0.120 0.000 2.433 107 S HA 0.181 4.652 4.470 0.002 0.000 0.216 107 S C 1.478 176.008 174.600 -0.117 0.000 1.031 107 S CA 0.539 58.690 58.200 -0.082 0.000 0.931 107 S CB -0.278 62.905 63.200 -0.029 0.000 0.875 107 S HN 0.478 nan 8.310 nan 0.000 0.553 108 I N 1.614 122.046 120.570 -0.229 0.000 3.334 108 I HA 0.046 4.217 4.170 0.002 0.000 0.282 108 I C 0.938 177.004 176.117 -0.085 0.000 1.313 108 I CA 0.457 61.653 61.300 -0.174 0.000 1.396 108 I CB -0.082 37.704 38.000 -0.357 0.000 1.054 108 I HN 0.242 nan 8.210 nan 0.000 0.495 109 A N -0.136 122.619 122.820 -0.108 0.000 2.639 109 A HA 0.538 4.859 4.320 0.002 0.000 0.221 109 A C 0.674 178.314 177.584 0.093 0.000 0.879 109 A CA 0.082 52.089 52.037 -0.050 0.000 1.189 109 A CB -0.649 18.398 19.000 0.078 0.000 1.231 109 A HN 0.311 nan 8.150 nan 0.000 0.457 110 G N 0.414 109.218 108.800 0.007 0.000 2.992 110 G HA2 0.137 4.098 3.960 0.002 0.000 0.195 110 G HA3 0.137 4.098 3.960 0.002 0.000 0.195 110 G C 0.816 175.782 174.900 0.111 0.000 2.032 110 G CA 0.475 45.618 45.100 0.073 0.000 0.831 110 G HN 0.263 nan 8.290 nan 0.000 0.647 111 N N 1.250 119.980 118.700 0.050 0.000 2.396 111 N HA -0.075 4.665 4.740 0.002 0.000 0.180 111 N C 2.419 177.944 175.510 0.027 0.000 1.028 111 N CA 1.051 54.135 53.050 0.057 0.000 0.893 111 N CB -0.106 38.401 38.487 0.034 0.000 0.967 111 N HN 0.593 nan 8.380 nan 0.000 0.440 112 I N -2.255 118.271 120.570 -0.074 0.000 2.502 112 I HA -0.196 3.975 4.170 0.002 0.000 0.258 112 I C 1.571 177.602 176.117 -0.144 0.000 1.172 112 I CA 1.274 62.468 61.300 -0.177 0.000 1.430 112 I CB -0.731 37.057 38.000 -0.354 0.000 1.086 112 I HN -0.129 nan 8.210 nan 0.000 0.440 113 F N 1.954 121.882 119.950 -0.036 0.000 2.502 113 F HA 0.109 4.637 4.527 0.003 0.000 0.298 113 F C 2.183 178.056 175.800 0.121 0.000 1.111 113 F CA 0.555 58.561 58.000 0.010 0.000 1.445 113 F CB 0.200 39.178 39.000 -0.036 0.000 1.081 113 F HN 0.221 nan 8.300 nan 0.000 0.558 114 G N -0.277 108.667 108.800 0.241 0.000 3.993 114 G HA2 0.279 4.240 3.960 0.002 0.000 0.294 114 G HA3 0.279 4.240 3.960 0.002 0.000 0.294 114 G C 0.164 175.116 174.900 0.087 0.000 1.043 114 G CA -0.390 44.810 45.100 0.167 0.000 0.839 114 G HN -0.017 nan 8.290 nan 0.000 0.516 115 M N 0.876 120.512 119.600 0.059 0.000 2.233 115 M HA 0.188 4.669 4.480 0.002 0.000 0.350 115 M C 1.289 177.580 176.300 -0.014 0.000 1.176 115 M CA -0.534 54.767 55.300 0.000 0.000 1.150 115 M CB 1.534 34.106 32.600 -0.047 0.000 1.530 115 M HN 0.026 nan 8.290 nan 0.000 0.459 116 K N 2.219 122.598 120.400 -0.035 0.000 1.991 116 K HA -0.162 4.159 4.320 0.002 0.000 0.212 116 K C 1.289 177.824 176.600 -0.108 0.000 1.049 116 K CA 1.781 58.045 56.287 -0.039 0.000 0.932 116 K CB -0.579 31.905 32.500 -0.027 0.000 0.717 116 K HN 0.428 nan 8.250 nan 0.000 0.441 117 R N 0.619 120.948 120.500 -0.284 0.000 2.417 117 R HA 0.026 4.367 4.340 0.002 0.000 0.220 117 R C -0.417 175.764 176.300 -0.197 0.000 1.128 117 R CA 0.438 56.228 56.100 -0.517 0.000 1.048 117 R CB -0.522 29.358 30.300 -0.701 0.000 0.835 117 R HN 0.030 nan 8.270 nan 0.000 0.483 118 V N 0.357 120.227 119.914 -0.073 0.000 2.531 118 V HA 0.170 4.291 4.120 0.002 0.000 0.301 118 V C 0.578 176.705 176.094 0.055 0.000 1.034 118 V CA -0.894 61.413 62.300 0.013 0.000 0.865 118 V CB 2.109 33.944 31.823 0.019 0.000 0.995 118 V HN -0.052 nan 8.190 nan 0.000 0.424 119 K N 2.639 123.090 120.400 0.085 0.000 2.116 119 K HA 0.182 4.502 4.320 0.002 0.000 0.203 119 K C 0.837 177.476 176.600 0.065 0.000 1.052 119 K CA 1.028 57.357 56.287 0.069 0.000 0.952 119 K CB 0.437 32.990 32.500 0.090 0.000 0.729 119 K HN 0.879 nan 8.250 nan 0.000 0.446 120 G N 1.253 110.153 108.800 0.168 0.000 2.552 120 G HA2 0.394 4.355 3.960 0.002 0.000 0.288 120 G HA3 0.394 4.355 3.960 0.002 0.000 0.288 120 G C -2.044 173.099 174.900 0.404 0.000 1.358 120 G CA -0.594 44.691 45.100 0.308 0.000 1.305 120 G HN 0.006 nan 8.290 nan 0.000 0.602 121 L N 1.848 123.403 121.223 0.553 0.000 2.334 121 L HA 0.993 5.334 4.340 0.002 0.000 0.276 121 L C -0.095 176.972 176.870 0.328 0.000 1.014 121 L CA -1.148 53.853 54.840 0.268 0.000 0.815 121 L CB 1.770 43.837 42.059 0.014 0.000 1.268 121 L HN 0.669 nan 8.230 nan 0.000 0.428 122 R N 4.192 124.878 120.500 0.311 0.000 2.518 122 R HA 0.473 4.814 4.340 0.002 0.000 0.287 122 R C -2.001 174.540 176.300 0.401 0.000 1.135 122 R CA -0.634 55.680 56.100 0.357 0.000 0.967 122 R CB 0.971 31.419 30.300 0.247 0.000 1.212 122 R HN 0.605 nan 8.270 nan 0.000 0.422 123 L N 4.360 125.828 121.223 0.407 0.000 2.456 123 L HA 0.230 4.571 4.340 0.002 0.000 0.277 123 L C 0.494 177.415 176.870 0.085 0.000 1.124 123 L CA 0.769 55.717 54.840 0.179 0.000 0.880 123 L CB 0.780 42.929 42.059 0.150 0.000 1.192 123 L HN 0.807 nan 8.230 nan 0.000 0.463 124 E N 2.178 122.388 120.200 0.017 0.000 2.140 124 E HA 0.082 4.433 4.350 0.002 0.000 0.191 124 E C -0.105 176.544 176.600 0.082 0.000 0.973 124 E CA 0.510 56.933 56.400 0.038 0.000 0.829 124 E CB 0.344 30.083 29.700 0.065 0.000 0.781 124 E HN 0.674 nan 8.360 nan 0.000 0.466 125 D N -0.990 119.423 120.400 0.021 0.000 2.623 125 D HA 0.325 4.966 4.640 0.002 0.000 0.241 125 D C -1.571 174.680 176.300 -0.083 0.000 1.241 125 D CA -0.481 53.568 54.000 0.082 0.000 0.788 125 D CB 1.456 42.360 40.800 0.173 0.000 1.413 125 D HN -0.119 nan 8.370 nan 0.000 0.429 126 L N 3.129 124.285 121.223 -0.112 0.000 2.404 126 L HA 0.345 4.686 4.340 0.002 0.000 0.272 126 L C -1.337 175.300 176.870 -0.388 0.000 0.980 126 L CA -0.952 53.687 54.840 -0.334 0.000 0.836 126 L CB 1.553 43.308 42.059 -0.506 0.000 1.238 126 L HN 0.434 nan 8.230 nan 0.000 0.408 127 Y N 4.580 124.649 120.300 -0.386 0.000 2.327 127 Y HA 0.439 4.990 4.550 0.003 0.000 0.336 127 Y C -1.166 174.512 175.900 -0.371 0.000 1.035 127 Y CA -0.395 57.540 58.100 -0.274 0.000 1.165 127 Y CB 0.708 39.127 38.460 -0.069 0.000 1.181 127 Y HN 0.288 nan 8.280 nan 0.000 0.494 128 F N 8.263 127.690 119.950 -0.872 0.000 2.388 128 F HA 0.487 5.015 4.527 0.002 0.000 0.358 128 F C -2.076 173.174 175.800 -0.915 0.000 1.122 128 F CA -2.918 54.662 58.000 -0.699 0.000 1.056 128 F CB 1.157 39.898 39.000 -0.430 0.000 1.155 128 F HN 0.484 nan 8.300 nan 0.000 0.461 129 P HA 0.012 nan 4.420 nan 0.000 0.271 129 P C 0.918 178.150 177.300 -0.112 0.000 1.244 129 P CA -0.084 62.917 63.100 -0.166 0.000 0.793 129 P CB 0.739 32.436 31.700 -0.004 0.000 0.984 130 E N 1.451 121.609 120.200 -0.071 0.000 2.077 130 E HA -0.292 4.059 4.350 0.002 0.000 0.193 130 E C 1.708 178.137 176.600 -0.284 0.000 0.989 130 E CA 1.463 57.724 56.400 -0.231 0.000 0.800 130 E CB -0.195 29.255 29.700 -0.416 0.000 0.746 130 E HN 0.240 nan 8.360 nan 0.000 0.452 131 K N -0.047 120.196 120.400 -0.261 0.000 2.113 131 K HA -0.196 4.125 4.320 0.002 0.000 0.208 131 K C 1.932 178.439 176.600 -0.155 0.000 1.047 131 K CA 1.458 57.585 56.287 -0.267 0.000 0.928 131 K CB -0.096 32.131 32.500 -0.454 0.000 0.716 131 K HN 0.133 nan 8.250 nan 0.000 0.446 132 L N 0.587 121.756 121.223 -0.090 0.000 2.127 132 L HA -0.018 4.323 4.340 0.002 0.000 0.203 132 L C 2.037 178.885 176.870 -0.036 0.000 1.080 132 L CA 0.918 55.745 54.840 -0.022 0.000 0.768 132 L CB -0.387 41.698 42.059 0.043 0.000 0.924 132 L HN 0.222 nan 8.230 nan 0.000 0.444 133 I N -0.218 120.286 120.570 -0.109 0.000 2.248 133 I HA -0.321 3.850 4.170 0.002 0.000 0.248 133 I C 2.358 178.486 176.117 0.019 0.000 1.107 133 I CA 1.431 62.675 61.300 -0.094 0.000 1.373 133 I CB -0.963 37.028 38.000 -0.016 0.000 1.055 133 I HN 0.337 nan 8.210 nan 0.000 0.418 134 R N 0.535 120.997 120.500 -0.063 0.000 2.316 134 R HA -0.088 4.253 4.340 0.002 0.000 0.202 134 R C 1.651 177.939 176.300 -0.020 0.000 1.029 134 R CA 0.410 56.473 56.100 -0.062 0.000 1.018 134 R CB -0.047 30.158 30.300 -0.157 0.000 0.888 134 R HN 0.523 nan 8.270 nan 0.000 0.471 135 E N -0.422 119.789 120.200 0.018 0.000 2.481 135 E HA -0.015 4.336 4.350 0.002 0.000 0.195 135 E C -0.320 176.131 176.600 -0.249 0.000 1.047 135 E CA 0.327 56.654 56.400 -0.121 0.000 0.867 135 E CB 0.234 29.817 29.700 -0.196 0.000 0.858 135 E HN 0.087 nan 8.360 nan 0.000 0.513 136 F N 0.203 120.073 119.950 -0.133 0.000 2.457 136 F HA 0.214 4.742 4.527 0.001 0.000 0.330 136 F C 1.357 177.112 175.800 -0.074 0.000 1.069 136 F CA -0.841 57.095 58.000 -0.105 0.000 1.009 136 F CB 0.879 39.806 39.000 -0.121 0.000 1.276 136 F HN -0.242 nan 8.300 nan 0.000 0.492 137 D N -0.332 120.144 120.400 0.127 0.000 2.455 137 D HA 0.240 4.881 4.640 0.002 0.000 0.228 137 D C 1.015 177.343 176.300 0.046 0.000 1.070 137 D CA 1.084 55.110 54.000 0.043 0.000 0.881 137 D CB 0.598 41.391 40.800 -0.012 0.000 1.087 137 D HN 0.699 nan 8.370 nan 0.000 0.498 138 G N 1.903 110.753 108.800 0.084 0.000 2.855 138 G HA2 -0.212 3.749 3.960 0.002 0.000 0.352 138 G HA3 -0.212 3.749 3.960 0.002 0.000 0.352 138 G C -2.655 172.244 174.900 -0.002 0.000 1.415 138 G CA -1.069 44.053 45.100 0.037 0.000 0.871 138 G HN -0.047 nan 8.290 nan 0.000 0.543 139 P HA 0.274 nan 4.420 nan 0.000 0.259 139 P C 0.964 178.225 177.300 -0.066 0.000 1.163 139 P CA 1.120 64.206 63.100 -0.024 0.000 0.760 139 P CB 0.555 32.238 31.700 -0.027 0.000 0.762 140 A N 2.795 125.558 122.820 -0.095 0.000 1.930 140 A HA -0.131 4.189 4.320 0.002 0.000 0.217 140 A C 1.297 178.594 177.584 -0.478 0.000 1.175 140 A CA 1.607 53.470 52.037 -0.289 0.000 0.627 140 A CB -0.995 17.806 19.000 -0.332 0.000 0.815 140 A HN 0.492 nan 8.150 nan 0.000 0.443 141 F N -1.536 118.385 119.950 -0.048 0.000 2.479 141 F HA 0.442 4.970 4.527 0.002 0.000 0.280 141 F C 1.681 177.448 175.800 -0.056 0.000 0.982 141 F CA 0.663 58.635 58.000 -0.046 0.000 1.276 141 F CB -0.635 38.336 39.000 -0.047 0.000 1.137 141 F HN 0.483 nan 8.300 nan 0.000 0.660 142 G N 0.990 109.875 108.800 0.141 0.000 2.782 142 G HA2 -0.257 3.704 3.960 0.002 0.000 0.228 142 G HA3 -0.257 3.704 3.960 0.002 0.000 0.228 142 G C 0.689 175.541 174.900 -0.080 0.000 1.372 142 G CA -0.177 44.921 45.100 -0.004 0.000 0.862 142 G HN 0.248 nan 8.290 nan 0.000 0.547 143 I N 0.142 120.519 120.570 -0.322 0.000 2.163 143 I HA -0.175 3.996 4.170 0.002 0.000 0.243 143 I C 2.651 178.577 176.117 -0.318 0.000 1.085 143 I CA 2.305 63.163 61.300 -0.738 0.000 1.347 143 I CB -0.253 37.208 38.000 -0.899 0.000 1.044 143 I HN 0.811 nan 8.210 nan 0.000 0.408 144 E N 1.043 121.145 120.200 -0.162 0.000 2.031 144 E HA -0.207 4.144 4.350 0.002 0.000 0.193 144 E C 2.286 178.910 176.600 0.040 0.000 0.994 144 E CA 1.473 57.845 56.400 -0.047 0.000 0.800 144 E CB -0.283 29.397 29.700 -0.033 0.000 0.752 144 E HN 0.504 nan 8.360 nan 0.000 0.447 145 G N 0.573 109.427 108.800 0.090 0.000 2.446 145 G HA2 -0.259 3.702 3.960 0.002 0.000 0.217 145 G HA3 -0.259 3.702 3.960 0.002 0.000 0.217 145 G C 1.659 176.674 174.900 0.191 0.000 1.168 145 G CA 1.211 46.452 45.100 0.235 0.000 0.771 145 G HN 0.252 nan 8.290 nan 0.000 0.551 146 V N 0.523 120.532 119.914 0.158 0.000 2.307 146 V HA -0.141 3.980 4.120 0.002 0.000 0.245 146 V C 2.871 179.086 176.094 0.202 0.000 1.045 146 V CA 1.944 64.339 62.300 0.158 0.000 1.024 146 V CB -0.545 31.493 31.823 0.359 0.000 0.651 146 V HN 0.283 nan 8.190 nan 0.000 0.449 147 R N 0.068 120.711 120.500 0.238 0.000 2.091 147 R HA -0.218 4.123 4.340 0.002 0.000 0.238 147 R C 2.480 178.858 176.300 0.131 0.000 1.136 147 R CA 1.868 58.094 56.100 0.210 0.000 0.959 147 R CB -0.348 30.058 30.300 0.177 0.000 0.856 147 R HN 0.455 nan 8.270 nan 0.000 0.437 148 K N 0.588 121.052 120.400 0.105 0.000 2.097 148 K HA -0.143 4.178 4.320 0.002 0.000 0.206 148 K C 2.134 178.780 176.600 0.077 0.000 1.049 148 K CA 1.224 57.562 56.287 0.084 0.000 0.933 148 K CB -0.007 32.543 32.500 0.084 0.000 0.717 148 K HN 0.104 nan 8.250 nan 0.000 0.442 149 M N 0.502 120.144 119.600 0.070 0.000 2.067 149 M HA -0.161 4.320 4.480 0.002 0.000 0.260 149 M C 1.607 177.938 176.300 0.053 0.000 1.069 149 M CA 1.642 56.960 55.300 0.030 0.000 1.117 149 M CB 0.046 32.605 32.600 -0.067 0.000 1.334 149 M HN 0.145 nan 8.290 nan 0.000 0.407 150 L N -0.262 121.013 121.223 0.087 0.000 2.492 150 L HA 0.046 4.387 4.340 0.002 0.000 0.223 150 L C 0.234 177.151 176.870 0.079 0.000 1.132 150 L CA 0.251 55.149 54.840 0.096 0.000 0.850 150 L CB -0.300 41.836 42.059 0.129 0.000 0.966 150 L HN 0.396 nan 8.230 nan 0.000 0.454 151 E N 0.779 121.026 120.200 0.078 0.000 2.340 151 E HA -0.193 4.158 4.350 0.002 0.000 0.240 151 E C -0.531 176.110 176.600 0.068 0.000 1.154 151 E CA 0.036 56.475 56.400 0.066 0.000 0.717 151 E CB -0.839 28.892 29.700 0.052 0.000 1.250 151 E HN 0.229 nan 8.360 nan 0.000 0.386 152 I N 1.011 121.633 120.570 0.087 0.000 2.359 152 I HA 0.134 4.305 4.170 0.002 0.000 0.284 152 I C 1.150 177.327 176.117 0.099 0.000 1.018 152 I CA -0.402 60.950 61.300 0.086 0.000 1.173 152 I CB 1.343 39.403 38.000 0.099 0.000 1.326 152 I HN -0.024 nan 8.210 nan 0.000 0.462 153 K N 4.391 124.836 120.400 0.075 0.000 1.980 153 K HA -0.054 4.267 4.320 0.002 0.000 0.208 153 K C 0.854 177.501 176.600 0.077 0.000 1.043 153 K CA 2.082 58.411 56.287 0.070 0.000 0.938 153 K CB 0.293 32.823 32.500 0.050 0.000 0.724 153 K HN 0.545 nan 8.250 nan 0.000 0.438 154 D N -0.995 119.444 120.400 0.064 0.000 2.716 154 D HA 0.075 4.716 4.640 0.002 0.000 0.273 154 D C -0.084 176.254 176.300 0.064 0.000 1.024 154 D CA 0.022 54.060 54.000 0.062 0.000 0.944 154 D CB 0.064 40.888 40.800 0.040 0.000 1.186 154 D HN 0.161 nan 8.370 nan 0.000 0.485 155 R N 1.426 121.952 120.500 0.043 0.000 2.861 155 R HA 0.211 4.552 4.340 0.002 0.000 0.268 155 R C -2.470 173.855 176.300 0.042 0.000 1.027 155 R CA -0.858 55.257 56.100 0.024 0.000 1.163 155 R CB -0.745 29.554 30.300 -0.001 0.000 1.060 155 R HN -0.115 nan 8.270 nan 0.000 0.483 156 P HA 0.103 nan 4.420 nan 0.000 0.275 156 P C -0.524 176.764 177.300 -0.020 0.000 1.266 156 P CA -0.393 62.707 63.100 -0.000 0.000 0.793 156 P CB 0.432 32.119 31.700 -0.021 0.000 1.074 157 I N 1.188 121.705 120.570 -0.088 0.000 2.353 157 I HA 0.200 4.371 4.170 0.002 0.000 0.293 157 I C -0.325 175.814 176.117 0.037 0.000 0.992 157 I CA -0.507 60.766 61.300 -0.044 0.000 1.268 157 I CB 0.108 38.026 38.000 -0.137 0.000 1.387 157 I HN 0.371 nan 8.210 nan 0.000 0.478 158 Y N 5.599 125.804 120.300 -0.157 0.000 2.377 158 Y HA 0.776 5.327 4.550 0.001 0.000 0.339 158 Y C -0.156 175.338 175.900 -0.677 0.000 1.011 158 Y CA -1.065 56.857 58.100 -0.297 0.000 1.093 158 Y CB 1.802 40.117 38.460 -0.241 0.000 1.201 158 Y HN 0.620 nan 8.280 nan 0.000 0.455 159 G N 3.697 111.605 108.800 -1.486 0.000 2.698 159 G HA2 0.524 4.485 3.960 0.002 0.000 0.293 159 G HA3 0.524 4.485 3.960 0.002 0.000 0.293 159 G C -2.291 171.839 174.900 -1.283 0.000 1.437 159 G CA -0.532 43.136 45.100 -2.388 0.000 0.852 159 G HN 1.001 nan 8.290 nan 0.000 0.499 160 V N 0.143 119.523 119.914 -0.890 0.000 2.864 160 V HA 0.844 4.965 4.120 0.002 0.000 0.314 160 V C -0.988 175.018 176.094 -0.146 0.000 1.073 160 V CA -0.743 61.334 62.300 -0.371 0.000 0.956 160 V CB 2.008 33.658 31.823 -0.287 0.000 1.023 160 V HN 0.695 nan 8.190 nan 0.000 0.435 161 V N 6.619 126.520 119.914 -0.022 0.000 2.384 161 V HA 0.451 4.572 4.120 0.002 0.000 0.287 161 V C -2.262 173.866 176.094 0.056 0.000 1.020 161 V CA -1.964 60.382 62.300 0.077 0.000 0.850 161 V CB 1.615 33.517 31.823 0.131 0.000 0.987 161 V HN 0.933 nan 8.190 nan 0.000 0.436 162 P HA -0.036 nan 4.420 nan 0.000 0.261 162 P C 0.595 177.903 177.300 0.013 0.000 1.165 162 P CA 0.311 63.393 63.100 -0.030 0.000 0.759 162 P CB 0.521 32.127 31.700 -0.157 0.000 0.772 163 K N 4.819 125.214 120.400 -0.008 0.000 2.031 163 K HA -0.031 4.290 4.320 0.002 0.000 0.205 163 K C -0.683 175.952 176.600 0.058 0.000 1.049 163 K CA 1.747 58.055 56.287 0.034 0.000 0.939 163 K CB -1.709 30.811 32.500 0.033 0.000 0.717 163 K HN 0.412 nan 8.250 nan 0.000 0.438 164 P HA -0.125 nan 4.420 nan 0.000 0.236 164 P C 0.387 177.782 177.300 0.157 0.000 1.172 164 P CA 0.904 64.059 63.100 0.092 0.000 0.759 164 P CB -0.011 31.743 31.700 0.090 0.000 0.843 165 K N -3.162 117.354 120.400 0.193 0.000 4.606 165 K HA -0.247 4.074 4.320 0.002 0.000 0.363 165 K C -0.203 176.603 176.600 0.344 0.000 0.635 165 K CA 1.738 58.183 56.287 0.265 0.000 1.549 165 K CB -2.187 30.405 32.500 0.153 0.000 1.342 165 K HN 0.132 nan 8.250 nan 0.000 0.548 166 V N -0.111 119.946 119.914 0.239 0.000 2.891 166 V HA 0.576 4.697 4.120 0.002 0.000 0.304 166 V C 0.658 176.741 176.094 -0.019 0.000 1.171 166 V CA -0.144 62.203 62.300 0.079 0.000 0.943 166 V CB 1.553 33.412 31.823 0.060 0.000 1.037 166 V HN 0.744 nan 8.190 nan 0.000 0.427 167 G N 3.471 112.121 108.800 -0.249 0.000 2.175 167 G HA2 -0.154 3.807 3.960 0.002 0.000 0.182 167 G HA3 -0.154 3.807 3.960 0.002 0.000 0.182 167 G C -0.401 174.313 174.900 -0.309 0.000 1.003 167 G CA 0.146 44.925 45.100 -0.536 0.000 0.666 167 G HN 1.411 nan 8.290 nan 0.000 0.506 168 Y N 1.262 121.493 120.300 -0.115 0.000 2.420 168 Y HA 0.823 5.374 4.550 0.001 0.000 0.334 168 Y C 0.469 176.384 175.900 0.024 0.000 1.094 168 Y CA -1.090 56.989 58.100 -0.034 0.000 1.126 168 Y CB 1.187 39.670 38.460 0.038 0.000 1.217 168 Y HN 0.455 nan 8.280 nan 0.000 0.462 169 S N 1.170 116.951 115.700 0.135 0.000 2.652 169 S HA 0.398 4.869 4.470 0.002 0.000 0.270 169 S C -2.194 172.496 174.600 0.149 0.000 1.243 169 S CA -1.271 56.976 58.200 0.078 0.000 0.999 169 S CB 1.593 64.834 63.200 0.069 0.000 0.973 169 S HN 0.591 nan 8.310 nan 0.000 0.544 170 P HA -0.049 nan 4.420 nan 0.000 0.217 170 P C 0.867 178.250 177.300 0.139 0.000 1.150 170 P CA 1.157 64.309 63.100 0.088 0.000 0.832 170 P CB -0.030 31.666 31.700 -0.007 0.000 0.787 171 E N -0.264 119.989 120.200 0.088 0.000 2.153 171 E HA -0.173 4.178 4.350 0.002 0.000 0.194 171 E C 1.841 178.486 176.600 0.075 0.000 0.988 171 E CA 1.105 57.542 56.400 0.062 0.000 0.811 171 E CB -0.575 29.149 29.700 0.041 0.000 0.746 171 E HN 0.436 nan 8.360 nan 0.000 0.466 172 E N -0.127 120.148 120.200 0.125 0.000 2.051 172 E HA -0.105 4.246 4.350 0.002 0.000 0.189 172 E C 1.719 178.393 176.600 0.124 0.000 0.979 172 E CA 0.593 57.062 56.400 0.114 0.000 0.803 172 E CB -0.225 29.562 29.700 0.146 0.000 0.761 172 E HN 0.189 nan 8.360 nan 0.000 0.451 173 F N 2.658 122.644 119.950 0.059 0.000 2.154 173 F HA -0.277 4.251 4.527 0.002 0.000 0.301 173 F C 2.201 177.956 175.800 -0.075 0.000 1.087 173 F CA 1.965 59.952 58.000 -0.021 0.000 1.274 173 F CB -0.105 38.982 39.000 0.145 0.000 1.009 173 F HN -0.001 nan 8.300 nan 0.000 0.485 174 E N 0.367 120.568 120.200 0.002 0.000 2.049 174 E HA -0.321 4.030 4.350 0.002 0.000 0.198 174 E C 2.221 178.719 176.600 -0.170 0.000 1.007 174 E CA 2.074 58.399 56.400 -0.125 0.000 0.809 174 E CB -0.199 29.470 29.700 -0.052 0.000 0.749 174 E HN 0.468 nan 8.360 nan 0.000 0.450 175 K N -0.008 120.330 120.400 -0.104 0.000 2.026 175 K HA -0.168 4.153 4.320 0.002 0.000 0.208 175 K C 2.249 178.794 176.600 -0.093 0.000 1.048 175 K CA 1.269 57.517 56.287 -0.065 0.000 0.929 175 K CB -0.279 32.198 32.500 -0.039 0.000 0.713 175 K HN 0.127 nan 8.250 nan 0.000 0.439 176 L N 1.080 122.195 121.223 -0.181 0.000 1.989 176 L HA -0.175 4.166 4.340 0.002 0.000 0.211 176 L C 2.195 178.873 176.870 -0.321 0.000 1.071 176 L CA 2.036 56.736 54.840 -0.234 0.000 0.749 176 L CB -0.789 41.104 42.059 -0.277 0.000 0.890 176 L HN 0.173 nan 8.230 nan 0.000 0.431 177 A N -1.495 121.003 122.820 -0.537 0.000 1.948 177 A HA -0.318 4.003 4.320 0.002 0.000 0.220 177 A C 2.295 179.716 177.584 -0.272 0.000 1.177 177 A CA 2.093 53.784 52.037 -0.575 0.000 0.636 177 A CB -1.234 17.219 19.000 -0.911 0.000 0.815 177 A HN 0.669 nan 8.150 nan 0.000 0.449 178 Y N 1.109 121.226 120.300 -0.305 0.000 2.133 178 Y HA -0.184 4.367 4.550 0.002 0.000 0.287 178 Y C 1.911 177.706 175.900 -0.175 0.000 1.134 178 Y CA 1.843 59.819 58.100 -0.207 0.000 1.133 178 Y CB -0.701 37.662 38.460 -0.162 0.000 0.987 178 Y HN 0.399 nan 8.280 nan 0.000 0.502 179 D N 0.147 120.412 120.400 -0.225 0.000 2.108 179 D HA -0.222 4.419 4.640 0.002 0.000 0.190 179 D C 2.367 178.492 176.300 -0.292 0.000 0.995 179 D CA 1.819 55.640 54.000 -0.299 0.000 0.834 179 D CB -0.596 40.106 40.800 -0.163 0.000 0.967 179 D HN 0.209 nan 8.370 nan 0.000 0.446 180 L N 0.315 121.393 121.223 -0.242 0.000 2.021 180 L HA -0.209 4.132 4.340 0.002 0.000 0.215 180 L C 2.522 179.238 176.870 -0.257 0.000 1.074 180 L CA 1.455 56.154 54.840 -0.235 0.000 0.760 180 L CB -1.223 40.680 42.059 -0.261 0.000 0.889 180 L HN 0.223 nan 8.230 nan 0.000 0.433 181 L N -0.325 120.735 121.223 -0.272 0.000 2.027 181 L HA -0.165 4.176 4.340 0.002 0.000 0.206 181 L C 2.498 179.232 176.870 -0.226 0.000 1.074 181 L CA 1.543 56.240 54.840 -0.238 0.000 0.745 181 L CB -0.552 41.396 42.059 -0.184 0.000 0.898 181 L HN 0.371 nan 8.230 nan 0.000 0.433 182 S N -1.718 113.788 115.700 -0.323 0.000 2.603 182 S HA -0.073 4.398 4.470 0.002 0.000 0.229 182 S C 0.995 175.454 174.600 -0.234 0.000 0.972 182 S CA 0.374 58.387 58.200 -0.312 0.000 0.935 182 S CB -0.574 62.297 63.200 -0.548 0.000 0.769 182 S HN 0.468 nan 8.310 nan 0.000 0.536 183 N N 0.596 119.171 118.700 -0.208 0.000 2.328 183 N HA 0.375 5.116 4.740 0.002 0.000 0.247 183 N C 0.622 176.083 175.510 -0.081 0.000 1.165 183 N CA 0.139 53.104 53.050 -0.141 0.000 0.873 183 N CB 0.695 39.093 38.487 -0.148 0.000 1.125 183 N HN 0.531 nan 8.380 nan 0.000 0.513 184 G N 0.164 108.919 108.800 -0.074 0.000 2.159 184 G HA2 -0.226 3.735 3.960 0.002 0.000 0.227 184 G HA3 -0.226 3.735 3.960 0.002 0.000 0.227 184 G C 0.070 174.982 174.900 0.020 0.000 0.986 184 G CA -0.050 45.041 45.100 -0.016 0.000 0.651 184 G HN 0.442 nan 8.290 nan 0.000 0.523 185 A N 0.190 122.935 122.820 -0.125 0.000 2.309 185 A HA 0.646 4.967 4.320 0.002 0.000 0.298 185 A C 1.032 178.402 177.584 -0.356 0.000 1.165 185 A CA 0.411 52.202 52.037 -0.411 0.000 0.821 185 A CB 0.547 19.193 19.000 -0.590 0.000 1.102 185 A HN 0.102 nan 8.150 nan 0.000 0.500 186 D N -0.008 120.141 120.400 -0.419 0.000 2.194 186 D HA 0.063 4.704 4.640 0.002 0.000 0.204 186 D C 0.068 176.257 176.300 -0.186 0.000 0.964 186 D CA 2.083 55.953 54.000 -0.216 0.000 0.846 186 D CB 0.016 40.755 40.800 -0.102 0.000 0.962 186 D HN 0.706 nan 8.370 nan 0.000 0.490 187 Y N -1.759 118.295 120.300 -0.409 0.000 2.670 187 Y HA 0.608 5.159 4.550 0.002 0.000 0.334 187 Y C -1.490 174.145 175.900 -0.441 0.000 1.185 187 Y CA -1.680 56.163 58.100 -0.429 0.000 1.053 187 Y CB 0.841 38.880 38.460 -0.701 0.000 1.298 187 Y HN -0.316 nan 8.280 nan 0.000 0.459 188 M N 2.689 122.318 119.600 0.048 0.000 2.393 188 M HA 0.501 4.982 4.480 0.002 0.000 0.316 188 M C -1.312 175.179 176.300 0.318 0.000 1.087 188 M CA -0.733 54.633 55.300 0.108 0.000 0.937 188 M CB 1.993 34.668 32.600 0.124 0.000 1.668 188 M HN 0.728 nan 8.290 nan 0.000 0.438 189 K N 2.718 123.275 120.400 0.262 0.000 2.345 189 K HA 0.413 4.734 4.320 0.002 0.000 0.255 189 K C -1.334 175.446 176.600 0.299 0.000 0.934 189 K CA -0.662 55.754 56.287 0.214 0.000 0.801 189 K CB 1.190 33.770 32.500 0.133 0.000 1.137 189 K HN 0.615 nan 8.250 nan 0.000 0.424 190 D N 2.201 122.768 120.400 0.278 0.000 2.339 190 D HA -0.011 4.630 4.640 0.002 0.000 0.245 190 D C -0.419 175.986 176.300 0.175 0.000 1.115 190 D CA 0.208 54.344 54.000 0.227 0.000 0.917 190 D CB 1.006 41.897 40.800 0.151 0.000 1.192 190 D HN 0.572 nan 8.370 nan 0.000 0.428 191 D N 1.125 121.614 120.400 0.148 0.000 2.372 191 D HA -0.067 4.574 4.640 0.002 0.000 0.243 191 D C 1.390 177.687 176.300 -0.004 0.000 1.121 191 D CA -0.251 53.812 54.000 0.106 0.000 0.898 191 D CB 1.031 41.900 40.800 0.115 0.000 1.202 191 D HN 0.345 nan 8.370 nan 0.000 0.428 192 E N 2.978 123.098 120.200 -0.132 0.000 2.233 192 E HA -0.281 4.070 4.350 0.002 0.000 0.199 192 E C 0.523 177.005 176.600 -0.197 0.000 1.004 192 E CA 1.494 57.675 56.400 -0.364 0.000 0.819 192 E CB -0.544 28.664 29.700 -0.820 0.000 0.738 192 E HN 0.563 nan 8.360 nan 0.000 0.478 193 N N 0.253 118.890 118.700 -0.105 0.000 2.187 193 N HA 0.098 4.838 4.740 0.002 0.000 0.212 193 N C 0.259 175.739 175.510 -0.050 0.000 1.152 193 N CA -0.264 52.744 53.050 -0.071 0.000 0.872 193 N CB 0.384 38.842 38.487 -0.049 0.000 1.025 193 N HN 0.063 nan 8.380 nan 0.000 0.514 194 L N 2.376 123.572 121.223 -0.045 0.000 2.302 194 L HA 0.330 4.671 4.340 0.002 0.000 0.285 194 L C 0.240 177.065 176.870 -0.074 0.000 1.090 194 L CA 0.168 54.965 54.840 -0.071 0.000 0.866 194 L CB 0.241 42.264 42.059 -0.060 0.000 1.244 194 L HN 0.350 nan 8.230 nan 0.000 0.435 195 T N 0.752 115.252 114.554 -0.090 0.000 3.074 195 T HA 0.070 4.421 4.350 0.002 0.000 0.181 195 T C 0.703 175.373 174.700 -0.050 0.000 0.714 195 T CA 0.078 62.149 62.100 -0.048 0.000 2.341 195 T CB 0.169 69.004 68.868 -0.055 0.000 2.346 195 T HN 0.434 nan 8.240 nan 0.000 0.391 196 S N 2.672 118.322 115.700 -0.083 0.000 2.235 196 S HA 0.506 4.977 4.470 0.002 0.000 0.152 196 S C -2.901 171.587 174.600 -0.187 0.000 1.649 196 S CA -1.226 56.920 58.200 -0.089 0.000 1.277 196 S CB -0.267 62.946 63.200 0.022 0.000 1.299 196 S HN 0.333 nan 8.310 nan 0.000 0.388 197 P HA 0.225 nan 4.420 nan 0.000 0.276 197 P C 1.427 178.402 177.300 -0.543 0.000 1.252 197 P CA -0.785 61.995 63.100 -0.533 0.000 0.802 197 P CB 0.241 31.315 31.700 -1.044 0.000 1.035 198 W N 1.759 122.896 121.300 -0.272 0.000 2.304 198 W HA -0.271 4.390 4.660 0.002 0.000 0.315 198 W C 1.190 177.639 176.519 -0.117 0.000 1.233 198 W CA 1.512 58.778 57.345 -0.131 0.000 1.261 198 W CB -2.079 27.371 29.460 -0.018 0.000 1.150 198 W HN 0.440 nan 8.180 nan 0.000 0.494 199 Y N 0.703 120.368 120.300 -1.059 0.000 2.632 199 Y HA 0.312 4.863 4.550 0.002 0.000 0.301 199 Y C 0.468 176.081 175.900 -0.478 0.000 1.172 199 Y CA 0.640 58.179 58.100 -0.935 0.000 1.328 199 Y CB -1.087 36.445 38.460 -1.547 0.000 1.016 199 Y HN -0.030 nan 8.280 nan 0.000 0.529 200 N N 1.192 119.538 118.700 -0.591 0.000 3.153 200 N HA 0.067 4.808 4.740 0.002 0.000 0.208 200 N C -1.524 173.792 175.510 -0.323 0.000 1.462 200 N CA -0.237 52.575 53.050 -0.397 0.000 0.754 200 N CB 0.605 38.803 38.487 -0.481 0.000 1.558 200 N HN 0.072 nan 8.380 nan 0.000 0.605 201 R N 1.458 121.858 120.500 -0.166 0.000 2.490 201 R HA 0.170 4.511 4.340 0.002 0.000 0.280 201 R C 1.331 177.631 176.300 -0.000 0.000 1.077 201 R CA -0.430 55.634 56.100 -0.061 0.000 1.065 201 R CB 0.137 30.437 30.300 -0.000 0.000 1.003 201 R HN 0.449 nan 8.270 nan 0.000 0.470 202 F N 2.694 122.608 119.950 -0.060 0.000 2.091 202 F HA -0.276 4.252 4.527 0.002 0.000 0.299 202 F C 1.519 177.347 175.800 0.047 0.000 1.103 202 F CA 2.035 60.038 58.000 0.004 0.000 1.228 202 F CB 0.177 39.175 39.000 -0.005 0.000 0.984 202 F HN 0.548 nan 8.300 nan 0.000 0.477 203 E N 0.497 120.898 120.200 0.335 0.000 2.058 203 E HA -0.216 4.135 4.350 0.002 0.000 0.194 203 E C 2.134 178.773 176.600 0.066 0.000 0.997 203 E CA 1.905 58.438 56.400 0.222 0.000 0.801 203 E CB -0.526 29.268 29.700 0.157 0.000 0.746 203 E HN 0.558 nan 8.360 nan 0.000 0.450 204 E N 0.333 120.547 120.200 0.023 0.000 2.058 204 E HA -0.217 4.134 4.350 0.002 0.000 0.194 204 E C 2.242 178.799 176.600 -0.073 0.000 0.997 204 E CA 0.939 57.329 56.400 -0.018 0.000 0.801 204 E CB -0.141 29.549 29.700 -0.018 0.000 0.746 204 E HN 0.112 nan 8.360 nan 0.000 0.450 205 R N 0.702 121.123 120.500 -0.132 0.000 2.080 205 R HA -0.174 4.167 4.340 0.002 0.000 0.236 205 R C 2.296 178.391 176.300 -0.343 0.000 1.137 205 R CA 1.480 57.438 56.100 -0.237 0.000 0.943 205 R CB -0.277 29.846 30.300 -0.296 0.000 0.846 205 R HN 0.149 nan 8.270 nan 0.000 0.431 206 A N 0.803 123.467 122.820 -0.259 0.000 1.902 206 A HA -0.219 4.102 4.320 0.002 0.000 0.217 206 A C 2.016 179.546 177.584 -0.091 0.000 1.181 206 A CA 1.713 53.668 52.037 -0.137 0.000 0.623 206 A CB -0.566 18.490 19.000 0.093 0.000 0.818 206 A HN 0.603 nan 8.150 nan 0.000 0.443 207 E N -0.404 119.766 120.200 -0.049 0.000 2.110 207 E HA -0.148 4.203 4.350 0.002 0.000 0.193 207 E C 1.828 178.390 176.600 -0.064 0.000 0.988 207 E CA 1.102 57.487 56.400 -0.026 0.000 0.804 207 E CB -0.174 29.523 29.700 -0.005 0.000 0.745 207 E HN 0.693 nan 8.360 nan 0.000 0.458 208 I N -0.030 120.477 120.570 -0.104 0.000 2.233 208 I HA -0.237 3.934 4.170 0.002 0.000 0.243 208 I C 2.433 178.460 176.117 -0.150 0.000 1.093 208 I CA 0.590 61.826 61.300 -0.106 0.000 1.380 208 I CB -0.120 37.830 38.000 -0.082 0.000 1.067 208 I HN 0.260 nan 8.210 nan 0.000 0.413 209 M N 1.000 120.441 119.600 -0.265 0.000 2.082 209 M HA -0.216 4.265 4.480 0.002 0.000 0.258 209 M C 2.332 178.544 176.300 -0.147 0.000 1.069 209 M CA 2.291 57.389 55.300 -0.337 0.000 1.102 209 M CB -0.610 31.484 32.600 -0.844 0.000 1.336 209 M HN 0.266 nan 8.290 nan 0.000 0.404 210 A N -0.539 122.237 122.820 -0.075 0.000 1.908 210 A HA -0.244 4.077 4.320 0.002 0.000 0.218 210 A C 2.189 179.766 177.584 -0.012 0.000 1.181 210 A CA 2.113 54.154 52.037 0.007 0.000 0.627 210 A CB -0.698 18.325 19.000 0.037 0.000 0.818 210 A HN 0.578 nan 8.150 nan 0.000 0.445 211 K N -0.581 119.794 120.400 -0.041 0.000 2.025 211 K HA -0.046 4.275 4.320 0.002 0.000 0.207 211 K C 1.898 178.466 176.600 -0.053 0.000 1.049 211 K CA 1.503 57.763 56.287 -0.045 0.000 0.933 211 K CB -0.363 32.101 32.500 -0.061 0.000 0.714 211 K HN 0.542 nan 8.250 nan 0.000 0.438 212 I N 1.253 121.779 120.570 -0.073 0.000 2.113 212 I HA -0.306 3.865 4.170 0.002 0.000 0.238 212 I C 2.327 178.444 176.117 -0.001 0.000 1.070 212 I CA 1.383 62.649 61.300 -0.056 0.000 1.332 212 I CB -0.379 37.573 38.000 -0.080 0.000 1.044 212 I HN 0.134 nan 8.210 nan 0.000 0.402 213 I N 0.565 121.130 120.570 -0.009 0.000 2.300 213 I HA -0.366 3.804 4.170 0.002 0.000 0.252 213 I C 2.300 178.435 176.117 0.031 0.000 1.119 213 I CA 1.446 62.759 61.300 0.022 0.000 1.384 213 I CB -0.522 37.508 38.000 0.050 0.000 1.062 213 I HN 0.429 nan 8.210 nan 0.000 0.426 214 D N 1.052 121.464 120.400 0.020 0.000 2.137 214 D HA -0.191 4.450 4.640 0.002 0.000 0.202 214 D C 2.137 178.450 176.300 0.021 0.000 0.970 214 D CA 1.140 55.152 54.000 0.021 0.000 0.837 214 D CB 0.177 40.984 40.800 0.012 0.000 0.981 214 D HN 0.301 nan 8.370 nan 0.000 0.475 215 K N 0.701 121.110 120.400 0.015 0.000 1.973 215 K HA -0.120 4.201 4.320 0.002 0.000 0.212 215 K C 2.209 178.853 176.600 0.073 0.000 1.047 215 K CA 1.423 57.725 56.287 0.025 0.000 0.937 215 K CB -0.256 32.235 32.500 -0.015 0.000 0.721 215 K HN -0.076 nan 8.250 nan 0.000 0.440 216 V N 1.846 121.832 119.914 0.120 0.000 2.324 216 V HA -0.275 3.846 4.120 0.002 0.000 0.250 216 V C 2.307 178.427 176.094 0.043 0.000 1.060 216 V CA 2.327 64.691 62.300 0.108 0.000 1.042 216 V CB -0.623 31.245 31.823 0.076 0.000 0.650 216 V HN 0.466 nan 8.190 nan 0.000 0.450 217 E N -0.286 119.935 120.200 0.036 0.000 2.204 217 E HA -0.213 4.138 4.350 0.002 0.000 0.195 217 E C 2.171 178.787 176.600 0.026 0.000 0.990 217 E CA 0.895 57.311 56.400 0.027 0.000 0.821 217 E CB -0.104 29.615 29.700 0.032 0.000 0.750 217 E HN 0.551 nan 8.360 nan 0.000 0.477 218 N N 0.236 118.954 118.700 0.030 0.000 2.250 218 N HA -0.108 4.633 4.740 0.002 0.000 0.181 218 N C 1.306 176.831 175.510 0.025 0.000 1.017 218 N CA 0.899 53.965 53.050 0.026 0.000 0.866 218 N CB 0.278 38.779 38.487 0.024 0.000 0.985 218 N HN 0.291 nan 8.380 nan 0.000 0.429 219 E N -0.368 119.852 120.200 0.033 0.000 2.022 219 E HA -0.067 4.284 4.350 0.002 0.000 0.190 219 E C 1.911 178.518 176.600 0.012 0.000 0.973 219 E CA 1.514 57.931 56.400 0.028 0.000 0.816 219 E CB -0.472 29.258 29.700 0.050 0.000 0.781 219 E HN 0.355 nan 8.360 nan 0.000 0.456 220 T N -1.513 113.041 114.554 0.001 0.000 2.977 220 T HA -0.032 4.319 4.350 0.002 0.000 0.271 220 T C 1.754 176.453 174.700 -0.002 0.000 1.105 220 T CA 1.035 63.128 62.100 -0.012 0.000 1.116 220 T CB -0.398 68.450 68.868 -0.033 0.000 0.878 220 T HN 0.450 nan 8.240 nan 0.000 0.509 221 G N 1.048 109.852 108.800 0.007 0.000 2.189 221 G HA2 -0.274 3.686 3.960 0.002 0.000 0.267 221 G HA3 -0.274 3.686 3.960 0.002 0.000 0.267 221 G C -0.152 174.756 174.900 0.013 0.000 0.975 221 G CA 0.480 45.587 45.100 0.012 0.000 0.644 221 G HN 0.708 nan 8.290 nan 0.000 0.537 222 E N 0.550 120.754 120.200 0.008 0.000 2.242 222 E HA 0.478 4.828 4.350 0.002 0.000 0.275 222 E C -0.077 176.533 176.600 0.017 0.000 1.002 222 E CA -0.932 55.474 56.400 0.011 0.000 0.841 222 E CB 0.908 30.608 29.700 -0.000 0.000 1.109 222 E HN -0.032 nan 8.360 nan 0.000 0.394 223 K N 2.590 123.007 120.400 0.028 0.000 2.298 223 K HA 0.277 4.598 4.320 0.002 0.000 0.280 223 K C -0.125 176.499 176.600 0.041 0.000 1.032 223 K CA -0.239 56.072 56.287 0.040 0.000 0.958 223 K CB 0.589 33.121 32.500 0.052 0.000 0.978 223 K HN 0.288 nan 8.250 nan 0.000 0.472 224 K N 0.741 121.170 120.400 0.048 0.000 2.350 224 K HA 0.558 4.879 4.320 0.002 0.000 0.241 224 K C 0.006 176.670 176.600 0.106 0.000 0.994 224 K CA -0.688 55.628 56.287 0.048 0.000 0.839 224 K CB 2.166 34.673 32.500 0.013 0.000 1.244 224 K HN 0.617 nan 8.250 nan 0.000 0.443 225 T N -0.643 113.992 114.554 0.134 0.000 2.731 225 T HA 0.628 4.979 4.350 0.002 0.000 0.300 225 T C -2.104 172.758 174.700 0.270 0.000 1.283 225 T CA -0.597 61.642 62.100 0.232 0.000 1.005 225 T CB 0.863 69.926 68.868 0.326 0.000 1.420 225 T HN 0.549 nan 8.240 nan 0.000 0.503 226 W N 2.756 124.119 121.300 0.106 0.000 3.211 226 W HA 0.633 5.294 4.660 0.002 0.000 0.335 226 W C -2.236 174.422 176.519 0.232 0.000 1.113 226 W CA -1.660 55.730 57.345 0.075 0.000 1.235 226 W CB 0.899 30.413 29.460 0.091 0.000 1.365 226 W HN 0.407 nan 8.180 nan 0.000 0.476 227 F N 5.944 125.652 119.950 -0.404 0.000 2.566 227 F HA 0.485 5.013 4.527 0.002 0.000 0.349 227 F C 0.987 176.271 175.800 -0.860 0.000 1.245 227 F CA -1.224 56.424 58.000 -0.586 0.000 1.169 227 F CB -0.798 37.859 39.000 -0.572 0.000 1.470 227 F HN 0.481 nan 8.300 nan 0.000 0.634 228 A N 3.393 125.527 122.820 -1.142 0.000 2.409 228 A HA 0.115 4.436 4.320 0.002 0.000 0.267 228 A C 0.624 177.996 177.584 -0.354 0.000 1.127 228 A CA -0.466 50.798 52.037 -1.289 0.000 0.795 228 A CB -0.121 17.842 19.000 -1.727 0.000 1.061 228 A HN 0.748 nan 8.150 nan 0.000 0.502 229 N N 2.573 121.202 118.700 -0.119 0.000 2.401 229 N HA 0.266 5.007 4.740 0.002 0.000 0.255 229 N C 0.811 176.423 175.510 0.170 0.000 1.110 229 N CA -0.305 52.758 53.050 0.023 0.000 0.949 229 N CB 0.275 38.773 38.487 0.018 0.000 1.110 229 N HN 0.708 nan 8.380 nan 0.000 0.490 230 I N 0.517 121.117 120.570 0.050 0.000 3.883 230 I HA 0.179 4.350 4.170 0.002 0.000 0.326 230 I C 0.026 176.079 176.117 -0.107 0.000 1.283 230 I CA -0.263 60.989 61.300 -0.080 0.000 1.161 230 I CB 0.074 37.973 38.000 -0.168 0.000 1.012 230 I HN 0.196 nan 8.210 nan 0.000 0.421 231 T N 3.569 118.082 114.554 -0.068 0.000 2.867 231 T HA 0.361 4.712 4.350 0.002 0.000 0.290 231 T C 0.183 174.836 174.700 -0.078 0.000 1.025 231 T CA 0.900 62.953 62.100 -0.078 0.000 1.146 231 T CB 0.305 69.126 68.868 -0.079 0.000 1.024 231 T HN 0.768 nan 8.240 nan 0.000 0.519 232 A N 3.077 125.851 122.820 -0.077 0.000 2.323 232 A HA 0.398 4.719 4.320 0.002 0.000 0.293 232 A C -1.220 176.327 177.584 -0.062 0.000 0.991 232 A CA -0.978 51.017 52.037 -0.070 0.000 0.559 232 A CB 0.186 19.134 19.000 -0.085 0.000 1.486 232 A HN 0.638 nan 8.150 nan 0.000 0.577 233 D N 0.449 120.817 120.400 -0.054 0.000 2.400 233 D HA 0.160 4.801 4.640 0.002 0.000 0.238 233 D C 1.672 177.944 176.300 -0.046 0.000 1.157 233 D CA 0.047 54.020 54.000 -0.045 0.000 0.889 233 D CB 0.754 41.531 40.800 -0.039 0.000 1.199 233 D HN 0.521 nan 8.370 nan 0.000 0.436 234 L N 1.563 122.762 121.223 -0.039 0.000 2.011 234 L HA -0.293 4.048 4.340 0.002 0.000 0.225 234 L C 2.414 179.273 176.870 -0.020 0.000 1.084 234 L CA 1.603 56.426 54.840 -0.029 0.000 0.791 234 L CB -0.258 41.770 42.059 -0.051 0.000 0.898 234 L HN 0.480 nan 8.230 nan 0.000 0.440 235 L N -0.863 120.343 121.223 -0.028 0.000 2.042 235 L HA -0.262 4.079 4.340 0.002 0.000 0.210 235 L C 2.461 179.304 176.870 -0.044 0.000 1.076 235 L CA 1.381 56.207 54.840 -0.023 0.000 0.749 235 L CB -0.620 41.424 42.059 -0.025 0.000 0.893 235 L HN 0.285 nan 8.230 nan 0.000 0.432 236 E N -0.243 119.918 120.200 -0.064 0.000 2.153 236 E HA -0.188 4.163 4.350 0.002 0.000 0.194 236 E C 2.240 178.749 176.600 -0.152 0.000 0.988 236 E CA 1.215 57.553 56.400 -0.104 0.000 0.811 236 E CB -0.171 29.468 29.700 -0.103 0.000 0.746 236 E HN 0.389 nan 8.360 nan 0.000 0.466 237 M N -0.164 119.368 119.600 -0.114 0.000 2.132 237 M HA -0.146 4.335 4.480 0.002 0.000 0.263 237 M C 1.981 178.219 176.300 -0.104 0.000 1.065 237 M CA 1.350 56.574 55.300 -0.127 0.000 1.122 237 M CB -0.243 32.316 32.600 -0.067 0.000 1.365 237 M HN 0.108 nan 8.290 nan 0.000 0.411 238 E N 0.205 120.386 120.200 -0.030 0.000 2.058 238 E HA -0.254 4.097 4.350 0.002 0.000 0.194 238 E C 2.025 178.595 176.600 -0.051 0.000 0.997 238 E CA 1.374 57.783 56.400 0.015 0.000 0.801 238 E CB -0.169 29.577 29.700 0.076 0.000 0.746 238 E HN 0.576 nan 8.360 nan 0.000 0.450 239 Q N 0.220 119.968 119.800 -0.086 0.000 2.124 239 Q HA -0.137 4.204 4.340 0.002 0.000 0.202 239 Q C 2.158 178.034 176.000 -0.206 0.000 0.977 239 Q CA 1.205 56.940 55.803 -0.113 0.000 0.850 239 Q CB -0.029 28.647 28.738 -0.102 0.000 0.901 239 Q HN 0.121 nan 8.270 nan 0.000 0.429 240 R N -0.038 120.254 120.500 -0.346 0.000 2.115 240 R HA -0.033 4.308 4.340 0.002 0.000 0.226 240 R C 2.164 178.243 176.300 -0.367 0.000 1.100 240 R CA 0.769 56.496 56.100 -0.622 0.000 0.980 240 R CB -0.117 29.475 30.300 -1.179 0.000 0.875 240 R HN 0.220 nan 8.270 nan 0.000 0.445 241 L N 0.416 121.474 121.223 -0.275 0.000 2.046 241 L HA -0.187 4.154 4.340 0.002 0.000 0.208 241 L C 2.545 179.134 176.870 -0.468 0.000 1.077 241 L CA 1.416 56.092 54.840 -0.272 0.000 0.747 241 L CB -0.344 41.615 42.059 -0.167 0.000 0.896 241 L HN 0.291 nan 8.230 nan 0.000 0.432 242 E N -0.060 119.897 120.200 -0.404 0.000 2.077 242 E HA -0.201 4.150 4.350 0.002 0.000 0.193 242 E C 2.198 178.662 176.600 -0.227 0.000 0.989 242 E CA 1.432 57.586 56.400 -0.409 0.000 0.800 242 E CB 0.134 29.749 29.700 -0.141 0.000 0.746 242 E HN 0.246 nan 8.360 nan 0.000 0.452 243 V N 1.214 121.064 119.914 -0.107 0.000 2.332 243 V HA -0.268 3.853 4.120 0.002 0.000 0.248 243 V C 2.405 178.539 176.094 0.066 0.000 1.055 243 V CA 1.164 63.483 62.300 0.031 0.000 1.038 243 V CB -0.482 31.438 31.823 0.163 0.000 0.651 243 V HN 0.344 nan 8.190 nan 0.000 0.450 244 L N 0.323 121.580 121.223 0.056 0.000 1.989 244 L HA -0.156 4.185 4.340 0.002 0.000 0.211 244 L C 2.700 179.564 176.870 -0.010 0.000 1.071 244 L CA 2.531 57.414 54.840 0.071 0.000 0.749 244 L CB -1.880 40.198 42.059 0.031 0.000 0.890 244 L HN 0.350 nan 8.230 nan 0.000 0.431 245 A N -0.581 122.146 122.820 -0.154 0.000 1.883 245 A HA -0.241 4.080 4.320 0.002 0.000 0.217 245 A C 2.056 179.629 177.584 -0.018 0.000 1.186 245 A CA 1.965 53.933 52.037 -0.115 0.000 0.624 245 A CB -0.775 18.038 19.000 -0.311 0.000 0.822 245 A HN 0.397 nan 8.150 nan 0.000 0.444 246 D N -0.150 120.232 120.400 -0.029 0.000 2.149 246 D HA -0.120 4.521 4.640 0.002 0.000 0.198 246 D C 1.717 178.040 176.300 0.038 0.000 0.990 246 D CA 1.063 55.073 54.000 0.018 0.000 0.839 246 D CB -0.227 40.583 40.800 0.017 0.000 0.948 246 D HN 0.458 nan 8.370 nan 0.000 0.460 247 L N -1.249 120.004 121.223 0.050 0.000 2.492 247 L HA 0.153 4.494 4.340 0.002 0.000 0.223 247 L C 1.522 178.431 176.870 0.066 0.000 1.132 247 L CA 0.544 55.423 54.840 0.065 0.000 0.850 247 L CB -0.086 42.031 42.059 0.095 0.000 0.966 247 L HN 0.197 nan 8.230 nan 0.000 0.454 248 G N -0.318 108.518 108.800 0.061 0.000 2.132 248 G HA2 -0.212 3.749 3.960 0.002 0.000 0.234 248 G HA3 -0.212 3.749 3.960 0.002 0.000 0.234 248 G C 0.313 175.257 174.900 0.074 0.000 0.989 248 G CA -0.337 44.800 45.100 0.062 0.000 0.676 248 G HN 0.048 nan 8.290 nan 0.000 0.522 249 L N -0.694 120.587 121.223 0.096 0.000 2.425 249 L HA 0.398 4.739 4.340 0.002 0.000 0.225 249 L C 1.728 178.640 176.870 0.070 0.000 1.222 249 L CA 1.017 55.935 54.840 0.131 0.000 0.832 249 L CB 0.181 42.366 42.059 0.209 0.000 1.238 249 L HN 0.272 nan 8.230 nan 0.000 0.533 250 K N -1.309 119.135 120.400 0.073 0.000 2.474 250 K HA 0.193 4.514 4.320 0.002 0.000 0.204 250 K C 0.029 176.482 176.600 -0.245 0.000 1.220 250 K CA -0.062 56.180 56.287 -0.075 0.000 0.966 250 K CB 0.783 33.250 32.500 -0.056 0.000 1.049 250 K HN 0.470 nan 8.250 nan 0.000 0.554 251 H N -0.508 118.521 119.070 -0.068 0.000 2.797 251 H HA 0.658 5.214 4.556 0.001 0.000 0.362 251 H C -1.192 174.029 175.328 -0.178 0.000 1.183 251 H CA -0.881 55.079 56.048 -0.146 0.000 1.197 251 H CB 2.354 32.029 29.762 -0.146 0.000 1.835 251 H HN 0.041 nan 8.280 nan 0.000 0.567 252 A N 2.307 125.088 122.820 -0.065 0.000 2.465 252 A HA 0.424 4.745 4.320 0.002 0.000 0.292 252 A C -0.510 177.000 177.584 -0.123 0.000 1.041 252 A CA -0.748 51.220 52.037 -0.114 0.000 0.718 252 A CB 1.139 20.093 19.000 -0.076 0.000 1.266 252 A HN 0.669 nan 8.150 nan 0.000 0.403 253 M N 1.833 121.356 119.600 -0.128 0.000 2.472 253 M HA 0.903 5.384 4.480 0.002 0.000 0.331 253 M C -1.620 174.627 176.300 -0.089 0.000 1.170 253 M CA -0.630 54.617 55.300 -0.088 0.000 1.009 253 M CB 1.909 34.519 32.600 0.016 0.000 1.672 253 M HN 0.291 nan 8.290 nan 0.000 0.453 254 V N 2.034 121.874 119.914 -0.123 0.000 2.623 254 V HA 0.250 4.371 4.120 0.002 0.000 0.304 254 V C -1.058 174.937 176.094 -0.164 0.000 1.054 254 V CA -0.775 61.444 62.300 -0.135 0.000 0.882 254 V CB 2.039 33.775 31.823 -0.146 0.000 1.002 254 V HN 0.880 nan 8.190 nan 0.000 0.424 255 D N 3.709 124.025 120.400 -0.140 0.000 2.441 255 D HA 0.040 4.681 4.640 0.002 0.000 0.243 255 D C 1.453 177.641 176.300 -0.187 0.000 1.257 255 D CA 0.167 54.080 54.000 -0.145 0.000 1.027 255 D CB 1.512 42.231 40.800 -0.136 0.000 1.084 255 D HN 0.545 nan 8.370 nan 0.000 0.514 256 V N 0.681 120.424 119.914 -0.285 0.000 2.867 256 V HA -0.202 3.919 4.120 0.002 0.000 0.260 256 V C 1.741 177.636 176.094 -0.330 0.000 1.099 256 V CA 0.941 62.998 62.300 -0.405 0.000 1.122 256 V CB -0.547 30.794 31.823 -0.804 0.000 0.708 256 V HN 0.270 nan 8.190 nan 0.000 0.490 257 V N 0.031 119.838 119.914 -0.178 0.000 2.599 257 V HA 0.047 4.168 4.120 0.002 0.000 0.245 257 V C 2.355 178.406 176.094 -0.073 0.000 1.046 257 V CA 1.656 63.917 62.300 -0.064 0.000 1.065 257 V CB -0.168 31.703 31.823 0.080 0.000 0.703 257 V HN 0.437 nan 8.190 nan 0.000 0.464 258 I N 0.109 120.632 120.570 -0.079 0.000 2.353 258 I HA -0.166 4.004 4.170 0.002 0.000 0.248 258 I C 2.509 178.578 176.117 -0.081 0.000 1.119 258 I CA 1.412 62.675 61.300 -0.062 0.000 1.417 258 I CB -0.609 37.351 38.000 -0.066 0.000 1.078 258 I HN 0.273 nan 8.210 nan 0.000 0.421 259 T N 0.400 114.883 114.554 -0.117 0.000 2.708 259 T HA 0.052 4.403 4.350 0.002 0.000 0.266 259 T C 0.954 175.587 174.700 -0.112 0.000 1.037 259 T CA 1.373 63.406 62.100 -0.111 0.000 1.146 259 T CB -0.446 68.344 68.868 -0.130 0.000 0.865 259 T HN 0.668 nan 8.240 nan 0.000 0.435 260 G N -0.941 107.741 108.800 -0.197 0.000 2.612 260 G HA2 -0.114 3.847 3.960 0.002 0.000 0.686 260 G HA3 -0.114 3.847 3.960 0.002 0.000 0.686 260 G C -0.007 174.755 174.900 -0.229 0.000 1.274 260 G CA -0.302 44.665 45.100 -0.223 0.000 0.849 260 G HN 0.347 nan 8.290 nan 0.000 0.595 261 W N 0.368 121.719 121.300 0.084 0.000 2.523 261 W HA 0.242 4.904 4.660 0.003 0.000 0.278 261 W C 2.561 179.113 176.519 0.056 0.000 1.236 261 W CA 1.083 58.480 57.345 0.085 0.000 1.306 261 W CB -0.114 29.385 29.460 0.065 0.000 1.101 261 W HN 0.941 nan 8.180 nan 0.000 0.577 262 G N 0.610 109.545 108.800 0.224 0.000 2.442 262 G HA2 -0.195 3.766 3.960 0.002 0.000 0.219 262 G HA3 -0.195 3.766 3.960 0.002 0.000 0.219 262 G C 1.583 176.537 174.900 0.090 0.000 1.141 262 G CA 1.463 46.639 45.100 0.127 0.000 0.763 262 G HN 0.309 nan 8.290 nan 0.000 0.554 263 A N -0.423 122.443 122.820 0.076 0.000 2.140 263 A HA 0.463 4.784 4.320 0.002 0.000 0.209 263 A C 2.236 179.897 177.584 0.127 0.000 1.181 263 A CA 0.045 52.131 52.037 0.082 0.000 0.824 263 A CB -0.074 18.950 19.000 0.039 0.000 0.879 263 A HN 0.273 nan 8.150 nan 0.000 0.480 264 L N -0.261 121.019 121.223 0.095 0.000 2.021 264 L HA -0.295 4.046 4.340 0.002 0.000 0.215 264 L C 2.802 179.739 176.870 0.111 0.000 1.074 264 L CA 2.182 57.071 54.840 0.082 0.000 0.760 264 L CB -0.371 41.745 42.059 0.094 0.000 0.889 264 L HN 0.502 nan 8.230 nan 0.000 0.433 265 R N -0.265 120.323 120.500 0.146 0.000 2.097 265 R HA -0.290 4.051 4.340 0.002 0.000 0.236 265 R C 2.298 178.652 176.300 0.089 0.000 1.135 265 R CA 2.303 58.468 56.100 0.109 0.000 0.934 265 R CB -1.355 28.997 30.300 0.086 0.000 0.846 265 R HN 0.369 nan 8.270 nan 0.000 0.431 266 Y N 0.476 120.777 120.300 0.002 0.000 2.081 266 Y HA -0.207 4.344 4.550 0.001 0.000 0.280 266 Y C 2.060 177.956 175.900 -0.007 0.000 1.163 266 Y CA 2.404 60.498 58.100 -0.010 0.000 1.135 266 Y CB -0.278 38.177 38.460 -0.009 0.000 0.970 266 Y HN 0.132 nan 8.280 nan 0.000 0.498 267 I N 0.181 120.797 120.570 0.078 0.000 2.264 267 I HA -0.324 3.847 4.170 0.002 0.000 0.248 267 I C 2.545 178.620 176.117 -0.071 0.000 1.111 267 I CA 1.697 62.988 61.300 -0.015 0.000 1.382 267 I CB -0.431 37.596 38.000 0.045 0.000 1.060 267 I HN 0.255 nan 8.210 nan 0.000 0.418 268 R N 1.608 122.083 120.500 -0.041 0.000 2.070 268 R HA -0.202 4.139 4.340 0.002 0.000 0.232 268 R C 1.812 178.064 176.300 -0.081 0.000 1.138 268 R CA 2.201 58.278 56.100 -0.037 0.000 0.936 268 R CB -0.812 29.487 30.300 -0.002 0.000 0.839 268 R HN 0.198 nan 8.270 nan 0.000 0.429 269 D N 0.371 120.697 120.400 -0.122 0.000 2.133 269 D HA -0.175 4.466 4.640 0.002 0.000 0.195 269 D C 1.842 178.013 176.300 -0.216 0.000 0.997 269 D CA 1.386 55.287 54.000 -0.165 0.000 0.840 269 D CB -0.346 40.343 40.800 -0.186 0.000 0.947 269 D HN 0.202 nan 8.370 nan 0.000 0.452 270 L N 1.102 122.150 121.223 -0.291 0.000 1.994 270 L HA -0.063 4.278 4.340 0.002 0.000 0.208 270 L C 2.221 179.048 176.870 -0.071 0.000 1.071 270 L CA 1.924 56.597 54.840 -0.279 0.000 0.745 270 L CB -1.168 40.688 42.059 -0.338 0.000 0.892 270 L HN -0.007 nan 8.230 nan 0.000 0.431 271 A N -0.818 122.018 122.820 0.026 0.000 1.972 271 A HA -0.080 4.240 4.320 0.002 0.000 0.219 271 A C 2.387 180.041 177.584 0.117 0.000 1.169 271 A CA 1.714 53.837 52.037 0.144 0.000 0.635 271 A CB -0.986 18.053 19.000 0.065 0.000 0.810 271 A HN 0.568 nan 8.150 nan 0.000 0.446 272 A N -0.351 122.469 122.820 0.001 0.000 1.930 272 A HA -0.116 4.204 4.320 0.002 0.000 0.217 272 A C 1.785 179.320 177.584 -0.081 0.000 1.175 272 A CA 1.858 53.868 52.037 -0.045 0.000 0.627 272 A CB -0.532 18.402 19.000 -0.109 0.000 0.815 272 A HN 0.463 nan 8.150 nan 0.000 0.443 273 D N -1.666 118.637 120.400 -0.162 0.000 2.117 273 D HA -0.023 4.618 4.640 0.002 0.000 0.198 273 D C 0.206 176.385 176.300 -0.201 0.000 0.982 273 D CA 0.856 54.707 54.000 -0.249 0.000 0.828 273 D CB -0.112 40.441 40.800 -0.412 0.000 0.967 273 D HN 0.502 nan 8.370 nan 0.000 0.464 274 Y N -0.732 119.560 120.300 -0.014 0.000 2.281 274 Y HA 0.404 4.955 4.550 0.002 0.000 0.337 274 Y C 1.703 177.641 175.900 0.064 0.000 1.304 274 Y CA -0.455 57.654 58.100 0.016 0.000 1.465 274 Y CB 0.609 39.074 38.460 0.009 0.000 1.350 274 Y HN -0.172 nan 8.280 nan 0.000 0.575 275 G N 1.870 110.826 108.800 0.259 0.000 3.452 275 G HA2 0.274 4.235 3.960 0.002 0.000 0.258 275 G HA3 0.274 4.235 3.960 0.002 0.000 0.258 275 G C -0.365 174.689 174.900 0.257 0.000 1.305 275 G CA -0.217 45.058 45.100 0.291 0.000 1.514 275 G HN 0.336 nan 8.290 nan 0.000 0.593 276 L N 0.997 122.375 121.223 0.258 0.000 2.295 276 L HA 0.623 4.964 4.340 0.002 0.000 0.285 276 L C 0.512 177.458 176.870 0.126 0.000 1.035 276 L CA -0.863 54.025 54.840 0.080 0.000 0.806 276 L CB 1.800 43.892 42.059 0.055 0.000 1.214 276 L HN 0.137 nan 8.230 nan 0.000 0.426 277 A N 4.868 127.517 122.820 -0.285 0.000 2.309 277 A HA 0.677 4.998 4.320 0.002 0.000 0.298 277 A C -0.316 177.198 177.584 -0.117 0.000 1.165 277 A CA -0.471 51.430 52.037 -0.227 0.000 0.821 277 A CB 0.338 18.899 19.000 -0.733 0.000 1.102 277 A HN 0.680 nan 8.150 nan 0.000 0.500 278 I N 2.262 122.823 120.570 -0.016 0.000 2.315 278 I HA 0.171 4.342 4.170 0.002 0.000 0.291 278 I C -0.086 175.970 176.117 -0.103 0.000 1.006 278 I CA -0.346 60.918 61.300 -0.059 0.000 1.265 278 I CB 0.990 38.955 38.000 -0.059 0.000 1.387 278 I HN 0.789 nan 8.210 nan 0.000 0.475 279 H N 5.238 124.129 119.070 -0.299 0.000 2.594 279 H HA 0.501 5.058 4.556 0.002 0.000 0.304 279 H C 0.055 175.200 175.328 -0.306 0.000 1.068 279 H CA -0.427 55.358 56.048 -0.439 0.000 1.308 279 H CB 1.188 30.399 29.762 -0.919 0.000 1.409 279 H HN 0.680 nan 8.280 nan 0.000 0.460 280 G N 4.690 113.084 108.800 -0.676 0.000 2.329 280 G HA2 0.144 4.105 3.960 0.002 0.000 0.309 280 G HA3 0.144 4.105 3.960 0.002 0.000 0.309 280 G C -0.942 173.579 174.900 -0.633 0.000 1.110 280 G CA -0.436 44.333 45.100 -0.552 0.000 0.923 280 G HN 0.719 nan 8.290 nan 0.000 0.430 281 H N 2.247 120.993 119.070 -0.540 0.000 2.467 281 H HA 0.246 4.803 4.556 0.002 0.000 0.331 281 H C 1.014 176.137 175.328 -0.341 0.000 1.120 281 H CA -0.551 55.178 56.048 -0.532 0.000 1.270 281 H CB 1.461 31.008 29.762 -0.359 0.000 1.466 281 H HN 0.646 nan 8.280 nan 0.000 0.504 282 R N 2.810 123.299 120.500 -0.018 0.000 2.515 282 R HA 0.431 4.772 4.340 0.002 0.000 0.294 282 R C 0.185 176.623 176.300 0.230 0.000 1.021 282 R CA -0.420 55.724 56.100 0.073 0.000 1.081 282 R CB 0.049 30.348 30.300 -0.002 0.000 1.263 282 R HN 0.368 nan 8.270 nan 0.000 0.557 283 A N 1.704 124.662 122.820 0.229 0.000 2.598 283 A HA 0.058 4.379 4.320 0.002 0.000 0.239 283 A C 0.923 178.501 177.584 -0.009 0.000 1.032 283 A CA 1.083 53.163 52.037 0.071 0.000 0.760 283 A CB -0.238 18.710 19.000 -0.088 0.000 0.946 283 A HN 0.875 nan 8.150 nan 0.000 0.512 284 M N 0.577 120.118 119.600 -0.098 0.000 3.023 284 M HA -0.293 4.188 4.480 0.002 0.000 0.214 284 M C 0.962 177.021 176.300 -0.401 0.000 0.575 284 M CA 1.986 57.171 55.300 -0.192 0.000 0.820 284 M CB -2.043 30.500 32.600 -0.094 0.000 2.925 284 M HN 1.277 nan 8.290 nan 0.000 0.297 285 H N -0.092 118.785 119.070 -0.322 0.000 2.352 285 H HA 0.237 4.794 4.556 0.002 0.000 0.299 285 H C 1.746 176.660 175.328 -0.690 0.000 1.097 285 H CA 2.194 57.877 56.048 -0.608 0.000 1.311 285 H CB -0.879 28.755 29.762 -0.213 0.000 1.377 285 H HN 0.528 nan 8.280 nan 0.000 0.504 286 A N 1.140 123.087 122.820 -1.455 0.000 2.204 286 A HA -0.108 4.213 4.320 0.002 0.000 0.220 286 A C 2.517 179.841 177.584 -0.433 0.000 1.165 286 A CA 1.478 53.023 52.037 -0.820 0.000 0.671 286 A CB -1.283 17.331 19.000 -0.643 0.000 0.792 286 A HN 0.788 nan 8.150 nan 0.000 0.473 287 A N -1.261 121.255 122.820 -0.507 0.000 2.167 287 A HA 0.292 4.613 4.320 0.002 0.000 0.214 287 A C 1.210 178.732 177.584 -0.104 0.000 1.151 287 A CA 1.237 53.117 52.037 -0.261 0.000 0.735 287 A CB -0.444 18.445 19.000 -0.186 0.000 0.802 287 A HN 1.182 nan 8.150 nan 0.000 0.467 288 F N -3.788 116.160 119.950 -0.003 0.000 3.031 288 F HA 0.210 4.738 4.527 0.002 0.000 0.365 288 F C 1.015 176.840 175.800 0.042 0.000 1.128 288 F CA 0.381 58.379 58.000 -0.004 0.000 1.068 288 F CB -0.597 38.359 39.000 -0.073 0.000 1.280 288 F HN 0.005 nan 8.300 nan 0.000 0.529 289 T N -3.215 111.423 114.554 0.140 0.000 3.054 289 T HA 0.296 4.647 4.350 0.002 0.000 0.255 289 T C 1.561 176.357 174.700 0.160 0.000 1.035 289 T CA 0.017 62.256 62.100 0.232 0.000 0.941 289 T CB 0.126 69.176 68.868 0.303 0.000 1.026 289 T HN 0.297 nan 8.240 nan 0.000 0.533 290 R N 1.430 121.993 120.500 0.105 0.000 2.057 290 R HA 0.138 4.479 4.340 0.002 0.000 0.224 290 R C 0.677 177.054 176.300 0.128 0.000 1.136 290 R CA 0.347 56.504 56.100 0.095 0.000 0.968 290 R CB -0.241 30.087 30.300 0.047 0.000 0.863 290 R HN 0.312 nan 8.270 nan 0.000 0.433 291 N N 1.438 120.231 118.700 0.155 0.000 2.452 291 N HA 0.002 4.743 4.740 0.002 0.000 0.266 291 N C -2.148 173.498 175.510 0.227 0.000 1.175 291 N CA -1.225 51.950 53.050 0.207 0.000 0.945 291 N CB 1.573 40.202 38.487 0.236 0.000 1.063 291 N HN -0.042 nan 8.380 nan 0.000 0.472 292 P HA 0.030 nan 4.420 nan 0.000 0.233 292 P C -0.109 177.181 177.300 -0.017 0.000 1.167 292 P CA 1.024 64.175 63.100 0.085 0.000 0.770 292 P CB 0.043 31.760 31.700 0.028 0.000 0.837 293 Y N -3.145 117.259 120.300 0.175 0.000 2.507 293 Y HA 0.307 4.857 4.550 0.002 0.000 0.254 293 Y C 0.600 176.687 175.900 0.312 0.000 1.171 293 Y CA -0.363 57.862 58.100 0.210 0.000 1.238 293 Y CB 0.236 38.799 38.460 0.171 0.000 1.148 293 Y HN -0.034 nan 8.280 nan 0.000 0.525 294 H N -0.878 118.355 119.070 0.271 0.000 3.094 294 H HA 0.576 5.132 4.556 0.001 0.000 0.346 294 H C 0.093 175.550 175.328 0.216 0.000 1.238 294 H CA -0.225 55.975 56.048 0.253 0.000 1.209 294 H CB 1.421 31.307 29.762 0.207 0.000 1.911 294 H HN 0.241 nan 8.280 nan 0.000 0.540 295 G N 1.833 110.520 108.800 -0.189 0.000 2.416 295 G HA2 -0.072 3.889 3.960 0.002 0.000 0.203 295 G HA3 -0.072 3.889 3.960 0.002 0.000 0.203 295 G C -1.357 173.608 174.900 0.108 0.000 1.227 295 G CA -0.323 44.679 45.100 -0.164 0.000 1.041 295 G HN 0.653 nan 8.290 nan 0.000 0.546 296 I N 0.933 121.599 120.570 0.160 0.000 2.447 296 I HA 0.476 4.647 4.170 0.002 0.000 0.287 296 I C 0.646 176.909 176.117 0.243 0.000 1.023 296 I CA -0.649 60.779 61.300 0.214 0.000 1.083 296 I CB 1.963 40.029 38.000 0.110 0.000 1.245 296 I HN 0.627 nan 8.210 nan 0.000 0.434 297 S N 5.360 121.165 115.700 0.176 0.000 2.549 297 S HA 0.060 4.531 4.470 0.002 0.000 0.286 297 S C 1.295 175.992 174.600 0.163 0.000 1.314 297 S CA -0.353 57.935 58.200 0.147 0.000 1.062 297 S CB 0.522 63.785 63.200 0.106 0.000 0.865 297 S HN 0.606 nan 8.310 nan 0.000 0.498 298 M N 4.631 124.313 119.600 0.136 0.000 2.530 298 M HA -0.075 4.406 4.480 0.002 0.000 0.261 298 M C 1.175 177.497 176.300 0.037 0.000 1.067 298 M CA 1.156 56.502 55.300 0.077 0.000 1.071 298 M CB -1.242 31.356 32.600 -0.003 0.000 1.405 298 M HN 0.900 nan 8.290 nan 0.000 0.478 299 F N -0.126 119.759 119.950 -0.107 0.000 2.084 299 F HA -0.185 4.343 4.527 0.002 0.000 0.296 299 F C 2.131 177.833 175.800 -0.163 0.000 1.111 299 F CA 1.481 59.358 58.000 -0.205 0.000 1.224 299 F CB -0.444 38.364 39.000 -0.320 0.000 0.991 299 F HN -0.116 nan 8.300 nan 0.000 0.471 300 V N 0.921 120.880 119.914 0.075 0.000 2.324 300 V HA -0.342 3.779 4.120 0.002 0.000 0.250 300 V C 2.474 178.491 176.094 -0.128 0.000 1.060 300 V CA 2.003 64.284 62.300 -0.031 0.000 1.042 300 V CB -0.823 31.005 31.823 0.008 0.000 0.650 300 V HN 0.379 nan 8.190 nan 0.000 0.450 301 L N -0.169 121.001 121.223 -0.088 0.000 2.056 301 L HA -0.134 4.207 4.340 0.002 0.000 0.207 301 L C 2.770 179.434 176.870 -0.344 0.000 1.078 301 L CA 1.569 56.277 54.840 -0.219 0.000 0.749 301 L CB -0.871 41.177 42.059 -0.018 0.000 0.901 301 L HN 0.373 nan 8.230 nan 0.000 0.433 302 A N 0.172 122.863 122.820 -0.216 0.000 1.902 302 A HA -0.260 4.061 4.320 0.002 0.000 0.217 302 A C 2.415 179.840 177.584 -0.266 0.000 1.181 302 A CA 2.016 53.931 52.037 -0.203 0.000 0.623 302 A CB -0.446 18.376 19.000 -0.297 0.000 0.818 302 A HN 0.336 nan 8.150 nan 0.000 0.443 303 K N -0.946 119.235 120.400 -0.366 0.000 2.057 303 K HA -0.091 4.230 4.320 0.002 0.000 0.206 303 K C 1.731 178.249 176.600 -0.137 0.000 1.050 303 K CA 1.178 57.312 56.287 -0.256 0.000 0.935 303 K CB -0.221 32.131 32.500 -0.247 0.000 0.715 303 K HN 0.287 nan 8.250 nan 0.000 0.439 304 L N 0.605 121.729 121.223 -0.165 0.000 2.093 304 L HA -0.137 4.204 4.340 0.002 0.000 0.208 304 L C 2.082 178.959 176.870 0.012 0.000 1.085 304 L CA 1.571 56.342 54.840 -0.116 0.000 0.755 304 L CB -0.893 41.077 42.059 -0.149 0.000 0.904 304 L HN 0.213 nan 8.230 nan 0.000 0.435 305 Y N -0.676 119.680 120.300 0.093 0.000 2.373 305 Y HA -0.152 4.399 4.550 0.002 0.000 0.293 305 Y C 2.705 178.591 175.900 -0.023 0.000 1.129 305 Y CA 0.774 58.905 58.100 0.052 0.000 1.226 305 Y CB -0.653 37.801 38.460 -0.010 0.000 1.000 305 Y HN 0.147 nan 8.280 nan 0.000 0.549 306 R N 0.799 121.321 120.500 0.037 0.000 2.073 306 R HA -0.110 4.231 4.340 0.002 0.000 0.234 306 R C 1.890 178.159 176.300 -0.051 0.000 1.134 306 R CA 1.566 57.617 56.100 -0.081 0.000 0.952 306 R CB -0.911 29.238 30.300 -0.252 0.000 0.850 306 R HN 0.339 nan 8.270 nan 0.000 0.433 307 L N 0.009 121.187 121.223 -0.076 0.000 1.994 307 L HA -0.161 4.180 4.340 0.002 0.000 0.208 307 L C 2.350 179.315 176.870 0.158 0.000 1.071 307 L CA 1.000 55.762 54.840 -0.130 0.000 0.745 307 L CB -0.671 40.951 42.059 -0.728 0.000 0.892 307 L HN 0.178 nan 8.230 nan 0.000 0.431 308 I N 0.217 120.942 120.570 0.260 0.000 2.087 308 I HA -0.267 3.904 4.170 0.002 0.000 0.240 308 I C 1.652 177.883 176.117 0.190 0.000 1.054 308 I CA 2.244 63.748 61.300 0.339 0.000 1.311 308 I CB -1.477 36.732 38.000 0.349 0.000 1.024 308 I HN 0.555 nan 8.210 nan 0.000 0.402 309 G N -0.667 108.210 108.800 0.128 0.000 3.216 309 G HA2 -0.045 3.916 3.960 0.002 0.000 0.221 309 G HA3 -0.045 3.916 3.960 0.002 0.000 0.221 309 G C -0.170 174.747 174.900 0.029 0.000 0.949 309 G CA -0.569 44.566 45.100 0.059 0.000 0.952 309 G HN 0.112 nan 8.290 nan 0.000 0.657 310 I N 2.481 123.067 120.570 0.027 0.000 2.517 310 I HA 0.196 4.367 4.170 0.002 0.000 0.285 310 I C 1.276 177.379 176.117 -0.022 0.000 1.106 310 I CA -0.246 61.033 61.300 -0.035 0.000 1.402 310 I CB 0.773 38.703 38.000 -0.118 0.000 1.399 310 I HN 0.086 nan 8.210 nan 0.000 0.535 311 D N 4.749 125.148 120.400 -0.002 0.000 2.144 311 D HA -0.110 4.530 4.640 0.002 0.000 0.200 311 D C 0.284 176.619 176.300 0.058 0.000 0.978 311 D CA 1.385 55.412 54.000 0.045 0.000 0.833 311 D CB 0.295 41.159 40.800 0.106 0.000 0.961 311 D HN 0.599 nan 8.370 nan 0.000 0.470 312 Q N -0.061 119.740 119.800 0.002 0.000 2.347 312 Q HA 0.590 4.931 4.340 0.002 0.000 0.271 312 Q C -1.312 174.594 176.000 -0.157 0.000 1.064 312 Q CA -0.652 55.165 55.803 0.024 0.000 0.800 312 Q CB 3.101 31.912 28.738 0.121 0.000 1.304 312 Q HN -0.040 nan 8.270 nan 0.000 0.438 313 L N 0.962 122.137 121.223 -0.079 0.000 2.431 313 L HA 0.392 4.733 4.340 0.002 0.000 0.266 313 L C -1.345 175.522 176.870 -0.004 0.000 0.978 313 L CA -0.268 54.498 54.840 -0.124 0.000 0.822 313 L CB 1.930 43.946 42.059 -0.070 0.000 1.310 313 L HN 0.683 nan 8.230 nan 0.000 0.409 314 H N 4.024 122.945 119.070 -0.249 0.000 2.878 314 H HA 0.249 4.805 4.556 0.001 0.000 0.290 314 H C 0.683 175.918 175.328 -0.155 0.000 1.065 314 H CA 0.206 56.139 56.048 -0.192 0.000 1.477 314 H CB 1.361 30.954 29.762 -0.282 0.000 1.484 314 H HN 0.645 nan 8.280 nan 0.000 0.504 315 V N 1.006 120.894 119.914 -0.045 0.000 3.643 315 V HA 0.398 4.519 4.120 0.002 0.000 0.280 315 V C 1.165 177.222 176.094 -0.061 0.000 1.351 315 V CA 0.400 62.662 62.300 -0.064 0.000 1.073 315 V CB 0.141 31.929 31.823 -0.058 0.000 0.863 315 V HN 1.042 nan 8.190 nan 0.000 0.436 316 G N -0.094 108.671 108.800 -0.059 0.000 2.416 316 G HA2 0.169 4.130 3.960 0.002 0.000 0.203 316 G HA3 0.169 4.130 3.960 0.002 0.000 0.203 316 G C -0.322 174.554 174.900 -0.040 0.000 1.227 316 G CA 0.102 45.183 45.100 -0.031 0.000 1.041 316 G HN 0.958 nan 8.290 nan 0.000 0.546 317 T N -1.143 113.402 114.554 -0.016 0.000 2.853 317 T HA 0.900 5.251 4.350 0.002 0.000 0.311 317 T C -0.370 174.331 174.700 0.001 0.000 1.307 317 T CA 1.043 63.130 62.100 -0.022 0.000 1.019 317 T CB 1.147 69.994 68.868 -0.036 0.000 1.264 317 T HN 2.492 nan 8.240 nan 0.000 0.497 325 G N 0.445 109.337 108.800 0.152 0.000 3.181 325 G HA2 -0.414 3.547 3.960 0.002 0.000 0.322 325 G HA3 -0.414 3.547 3.960 0.002 0.000 0.322 325 G C 1.096 176.141 174.900 0.241 0.000 1.246 325 G CA 1.698 46.905 45.100 0.178 0.000 0.989 325 G HN 0.847 nan 8.290 nan 0.000 0.607 326 G N 0.464 109.366 108.800 0.170 0.000 2.433 326 G HA2 -0.127 3.834 3.960 0.002 0.000 0.216 326 G HA3 -0.127 3.834 3.960 0.002 0.000 0.216 326 G C 1.631 176.627 174.900 0.160 0.000 1.186 326 G CA 2.079 47.269 45.100 0.151 0.000 0.779 326 G HN 0.895 nan 8.290 nan 0.000 0.543 327 K N -0.761 119.734 120.400 0.158 0.000 2.113 327 K HA -0.202 4.119 4.320 0.002 0.000 0.208 327 K C 2.158 178.881 176.600 0.205 0.000 1.047 327 K CA 1.539 57.915 56.287 0.149 0.000 0.928 327 K CB -0.333 32.247 32.500 0.134 0.000 0.716 327 K HN 0.440 nan 8.250 nan 0.000 0.446 328 W N 2.516 123.858 121.300 0.071 0.000 2.379 328 W HA -0.167 4.494 4.660 0.001 0.000 0.307 328 W C 1.454 178.042 176.519 0.114 0.000 1.200 328 W CA 1.759 59.159 57.345 0.091 0.000 1.297 328 W CB -0.261 29.255 29.460 0.093 0.000 1.140 328 W HN 0.162 nan 8.180 nan 0.000 0.507 329 D N 0.011 120.503 120.400 0.153 0.000 2.104 329 D HA -0.215 4.426 4.640 0.002 0.000 0.194 329 D C 2.373 178.629 176.300 -0.074 0.000 0.994 329 D CA 2.156 56.131 54.000 -0.041 0.000 0.830 329 D CB -0.939 39.911 40.800 0.084 0.000 0.959 329 D HN 0.126 nan 8.370 nan 0.000 0.452 330 V N 1.661 121.571 119.914 -0.006 0.000 2.287 330 V HA -0.241 3.880 4.120 0.002 0.000 0.248 330 V C 2.501 178.569 176.094 -0.043 0.000 1.053 330 V CA 1.049 63.340 62.300 -0.016 0.000 1.027 330 V CB -0.306 31.523 31.823 0.010 0.000 0.646 330 V HN 0.178 nan 8.190 nan 0.000 0.447 331 I N -0.119 120.422 120.570 -0.049 0.000 2.151 331 I HA -0.259 3.911 4.170 0.002 0.000 0.243 331 I C 2.629 178.690 176.117 -0.094 0.000 1.080 331 I CA 1.731 62.999 61.300 -0.053 0.000 1.339 331 I CB -1.390 36.593 38.000 -0.029 0.000 1.039 331 I HN 0.398 nan 8.210 nan 0.000 0.409 332 Q N 0.489 120.146 119.800 -0.239 0.000 2.124 332 Q HA -0.151 4.190 4.340 0.002 0.000 0.202 332 Q C 1.981 177.997 176.000 0.027 0.000 0.977 332 Q CA 1.107 56.829 55.803 -0.135 0.000 0.850 332 Q CB -0.645 27.843 28.738 -0.418 0.000 0.901 332 Q HN 0.551 nan 8.270 nan 0.000 0.429 333 N N 0.992 119.673 118.700 -0.031 0.000 2.039 333 N HA -0.101 4.640 4.740 0.002 0.000 0.193 333 N C 1.645 177.068 175.510 -0.145 0.000 1.044 333 N CA 1.634 54.621 53.050 -0.106 0.000 0.847 333 N CB -0.497 37.943 38.487 -0.079 0.000 1.030 333 N HN 0.269 nan 8.380 nan 0.000 0.422 334 A N 1.053 123.826 122.820 -0.078 0.000 2.131 334 A HA -0.131 4.190 4.320 0.002 0.000 0.220 334 A C 2.255 179.806 177.584 -0.055 0.000 1.158 334 A CA 1.152 53.155 52.037 -0.056 0.000 0.665 334 A CB -0.335 18.655 19.000 -0.016 0.000 0.795 334 A HN 0.232 nan 8.150 nan 0.000 0.460 335 R N -0.280 120.198 120.500 -0.036 0.000 2.051 335 R HA -0.015 4.326 4.340 0.002 0.000 0.225 335 R C 2.115 178.369 176.300 -0.077 0.000 1.155 335 R CA 1.611 57.733 56.100 0.037 0.000 0.945 335 R CB -0.523 29.922 30.300 0.241 0.000 0.840 335 R HN 0.706 nan 8.270 nan 0.000 0.432 336 I N -0.345 120.036 120.570 -0.314 0.000 2.423 336 I HA -0.218 3.953 4.170 0.002 0.000 0.254 336 I C 1.858 177.692 176.117 -0.472 0.000 1.151 336 I CA 1.069 62.104 61.300 -0.441 0.000 1.421 336 I CB -0.406 37.118 38.000 -0.793 0.000 1.079 336 I HN 0.064 nan 8.210 nan 0.000 0.431 337 L N 0.604 121.609 121.223 -0.363 0.000 2.201 337 L HA -0.078 4.263 4.340 0.002 0.000 0.212 337 L C 2.554 179.252 176.870 -0.286 0.000 1.105 337 L CA 1.811 56.465 54.840 -0.309 0.000 0.775 337 L CB -0.477 41.471 42.059 -0.186 0.000 0.913 337 L HN 0.199 nan 8.230 nan 0.000 0.440 338 R N -1.775 118.596 120.500 -0.214 0.000 2.342 338 R HA 0.182 4.523 4.340 0.002 0.000 0.204 338 R C 0.139 176.368 176.300 -0.117 0.000 0.882 338 R CA -0.179 55.825 56.100 -0.159 0.000 1.041 338 R CB 0.378 30.628 30.300 -0.083 0.000 1.188 338 R HN 0.291 nan 8.270 nan 0.000 0.598 339 E N 1.125 121.295 120.200 -0.050 0.000 2.338 339 E HA 0.015 4.366 4.350 0.002 0.000 0.272 339 E C 0.528 177.209 176.600 0.135 0.000 1.029 339 E CA -0.030 56.419 56.400 0.082 0.000 0.872 339 E CB 1.364 31.203 29.700 0.231 0.000 1.015 339 E HN 0.133 nan 8.360 nan 0.000 0.417 340 S N 2.085 117.877 115.700 0.153 0.000 2.406 340 S HA -0.143 4.328 4.470 0.002 0.000 0.228 340 S C 0.632 175.411 174.600 0.298 0.000 1.020 340 S CA 0.723 59.034 58.200 0.185 0.000 0.965 340 S CB -0.065 63.194 63.200 0.098 0.000 0.798 340 S HN 0.663 nan 8.310 nan 0.000 0.488 341 H N -0.620 118.555 119.070 0.175 0.000 3.013 341 H HA 0.362 4.918 4.556 0.001 0.000 0.326 341 H C -1.915 173.539 175.328 0.209 0.000 0.973 341 H CA -1.137 54.993 56.048 0.138 0.000 1.369 341 H CB 0.839 30.621 29.762 0.033 0.000 1.598 341 H HN 0.274 nan 8.280 nan 0.000 0.518 342 Y N 5.839 126.371 120.300 0.388 0.000 2.477 342 Y HA 0.240 4.790 4.550 0.001 0.000 0.349 342 Y C -0.812 175.195 175.900 0.178 0.000 0.977 342 Y CA -0.539 57.721 58.100 0.267 0.000 1.214 342 Y CB 0.270 38.931 38.460 0.335 0.000 1.124 342 Y HN 0.454 nan 8.280 nan 0.000 0.521 343 K N 8.705 128.850 120.400 -0.425 0.000 2.367 343 K HA 0.369 4.690 4.320 0.002 0.000 0.263 343 K C -2.473 173.783 176.600 -0.574 0.000 1.000 343 K CA -1.808 54.233 56.287 -0.411 0.000 0.891 343 K CB 1.247 33.559 32.500 -0.313 0.000 1.117 343 K HN 0.461 nan 8.250 nan 0.000 0.443 344 P HA -0.017 nan 4.420 nan 0.000 0.278 344 P C -0.836 176.407 177.300 -0.096 0.000 1.270 344 P CA -0.169 62.769 63.100 -0.270 0.000 0.800 344 P CB 0.487 32.162 31.700 -0.042 0.000 1.142 345 D N -0.910 119.521 120.400 0.051 0.000 2.332 345 D HA 0.060 4.701 4.640 0.002 0.000 0.252 345 D C 1.345 177.650 176.300 0.008 0.000 1.050 345 D CA -0.496 53.541 54.000 0.061 0.000 0.970 345 D CB 0.392 41.295 40.800 0.170 0.000 1.141 345 D HN 0.355 nan 8.370 nan 0.000 0.485 346 E N 1.336 121.526 120.200 -0.017 0.000 2.118 346 E HA -0.260 4.091 4.350 0.002 0.000 0.195 346 E C 0.823 177.385 176.600 -0.064 0.000 0.992 346 E CA 1.385 57.762 56.400 -0.039 0.000 0.804 346 E CB -0.663 29.015 29.700 -0.036 0.000 0.741 346 E HN 0.594 nan 8.360 nan 0.000 0.458 347 N N 1.098 119.747 118.700 -0.085 0.000 2.412 347 N HA -0.083 4.658 4.740 0.002 0.000 0.184 347 N C 0.172 175.554 175.510 -0.213 0.000 1.101 347 N CA 0.469 53.431 53.050 -0.148 0.000 0.881 347 N CB -0.038 38.344 38.487 -0.175 0.000 0.969 347 N HN -0.070 nan 8.380 nan 0.000 0.459 348 D N 0.826 121.153 120.400 -0.122 0.000 2.398 348 D HA -0.042 4.599 4.640 0.002 0.000 0.250 348 D C 0.261 176.425 176.300 -0.226 0.000 1.287 348 D CA -0.054 53.898 54.000 -0.080 0.000 0.992 348 D CB 0.686 41.614 40.800 0.214 0.000 1.071 348 D HN 0.035 nan 8.370 nan 0.000 0.514 349 V N 4.591 124.203 119.914 -0.503 0.000 3.563 349 V HA 0.056 4.177 4.120 0.002 0.000 0.299 349 V C 0.548 176.303 176.094 -0.565 0.000 1.290 349 V CA 0.429 62.379 62.300 -0.584 0.000 1.201 349 V CB -0.812 30.494 31.823 -0.862 0.000 1.045 349 V HN 0.354 nan 8.190 nan 0.000 0.425 350 F N -0.651 119.119 119.950 -0.300 0.000 2.399 350 F HA 0.400 4.928 4.527 0.002 0.000 0.282 350 F C 1.240 176.864 175.800 -0.294 0.000 1.027 350 F CA -0.105 57.666 58.000 -0.381 0.000 1.333 350 F CB -0.336 38.288 39.000 -0.626 0.000 1.132 350 F HN 0.222 nan 8.300 nan 0.000 0.590 351 H N 1.342 120.472 119.070 0.099 0.000 2.463 351 H HA 0.477 5.034 4.556 0.002 0.000 0.332 351 H C 0.242 175.655 175.328 0.141 0.000 1.127 351 H CA -0.722 55.342 56.048 0.026 0.000 1.238 351 H CB 0.993 30.685 29.762 -0.117 0.000 1.478 351 H HN -0.033 nan 8.280 nan 0.000 0.499 352 L N 0.464 121.866 121.223 0.298 0.000 2.569 352 L HA 0.279 4.620 4.340 0.002 0.000 0.247 352 L C 0.962 178.010 176.870 0.297 0.000 1.135 352 L CA -0.767 54.191 54.840 0.195 0.000 0.812 352 L CB 0.543 42.656 42.059 0.091 0.000 1.431 352 L HN 0.555 nan 8.230 nan 0.000 0.499 353 E N 0.918 121.213 120.200 0.158 0.000 2.259 353 E HA 0.171 4.522 4.350 0.002 0.000 0.281 353 E C -1.137 175.651 176.600 0.314 0.000 1.027 353 E CA -0.500 56.027 56.400 0.212 0.000 0.838 353 E CB 1.290 31.054 29.700 0.107 0.000 1.066 353 E HN 0.334 nan 8.360 nan 0.000 0.401 354 Q N 3.653 123.678 119.800 0.374 0.000 2.304 354 Q HA 0.289 4.630 4.340 0.002 0.000 0.270 354 Q C -1.699 174.245 176.000 -0.094 0.000 1.035 354 Q CA -0.631 55.251 55.803 0.132 0.000 0.781 354 Q CB 1.526 30.201 28.738 -0.105 0.000 1.261 354 Q HN 0.388 nan 8.270 nan 0.000 0.444 355 K N 3.443 123.677 120.400 -0.277 0.000 2.185 355 K HA 0.337 4.658 4.320 0.002 0.000 0.269 355 K C -0.467 175.800 176.600 -0.555 0.000 0.987 355 K CA -0.267 55.706 56.287 -0.522 0.000 0.865 355 K CB 0.564 32.614 32.500 -0.750 0.000 1.090 355 K HN 0.645 nan 8.250 nan 0.000 0.450 356 F N 2.791 122.623 119.950 -0.197 0.000 2.749 356 F HA 0.105 4.634 4.527 0.003 0.000 0.300 356 F C 0.202 176.032 175.800 0.050 0.000 1.103 356 F CA -0.110 57.866 58.000 -0.040 0.000 1.342 356 F CB -0.176 38.806 39.000 -0.031 0.000 1.098 356 F HN 0.709 nan 8.300 nan 0.000 0.586 357 Y N -0.756 119.584 120.300 0.068 0.000 2.865 357 Y HA -0.496 4.055 4.550 0.001 0.000 0.468 357 Y C 2.229 178.157 175.900 0.047 0.000 1.176 357 Y CA 1.207 59.324 58.100 0.028 0.000 2.599 357 Y CB -1.794 36.662 38.460 -0.006 0.000 1.207 357 Y HN -0.018 nan 8.280 nan 0.000 0.627 358 S N 0.636 116.484 115.700 0.247 0.000 2.603 358 S HA 0.188 4.659 4.470 0.002 0.000 0.220 358 S C 0.353 175.005 174.600 0.087 0.000 0.967 358 S CA 0.272 58.544 58.200 0.121 0.000 0.920 358 S CB -0.185 63.064 63.200 0.081 0.000 0.773 358 S HN 0.305 nan 8.310 nan 0.000 0.529 359 I N 3.573 124.220 120.570 0.128 0.000 2.581 359 I HA 0.132 4.303 4.170 0.002 0.000 0.285 359 I C 0.831 176.947 176.117 -0.002 0.000 1.129 359 I CA -0.006 61.339 61.300 0.075 0.000 1.397 359 I CB -0.372 37.712 38.000 0.140 0.000 1.399 359 I HN 0.234 nan 8.210 nan 0.000 0.537 360 K N 4.253 124.630 120.400 -0.038 0.000 2.234 360 K HA 0.358 4.679 4.320 0.002 0.000 0.251 360 K C 0.261 176.777 176.600 -0.140 0.000 1.011 360 K CA -0.360 55.882 56.287 -0.074 0.000 0.889 360 K CB 0.502 32.961 32.500 -0.068 0.000 1.011 360 K HN 0.732 nan 8.250 nan 0.000 0.505 361 A N 0.467 123.194 122.820 -0.154 0.000 2.304 361 A HA 0.600 4.921 4.320 0.002 0.000 0.301 361 A C -0.708 176.759 177.584 -0.196 0.000 1.132 361 A CA -0.498 51.415 52.037 -0.206 0.000 0.819 361 A CB 0.988 19.875 19.000 -0.188 0.000 1.094 361 A HN 0.671 nan 8.150 nan 0.000 0.492 362 A N 1.049 123.757 122.820 -0.187 0.000 2.350 362 A HA 0.687 5.008 4.320 0.002 0.000 0.324 362 A C -0.566 176.986 177.584 -0.052 0.000 1.118 362 A CA -0.556 51.413 52.037 -0.114 0.000 0.783 362 A CB 0.437 19.390 19.000 -0.077 0.000 1.236 362 A HN 0.741 nan 8.150 nan 0.000 0.457 363 F N 2.340 122.277 119.950 -0.022 0.000 2.541 363 F HA 0.236 4.764 4.527 0.002 0.000 0.378 363 F C -1.910 173.881 175.800 -0.016 0.000 1.068 363 F CA -1.014 56.985 58.000 -0.002 0.000 1.199 363 F CB 1.081 40.105 39.000 0.039 0.000 1.091 363 F HN 0.317 nan 8.300 nan 0.000 0.555 364 P HA 0.208 nan 4.420 nan 0.000 0.288 364 P C -1.187 176.148 177.300 0.059 0.000 1.267 364 P CA -0.437 62.716 63.100 0.088 0.000 0.815 364 P CB 1.329 33.055 31.700 0.044 0.000 0.989 365 T N 0.732 115.281 114.554 -0.007 0.000 2.794 365 T HA 0.453 4.804 4.350 0.002 0.000 0.280 365 T C -0.220 174.345 174.700 -0.225 0.000 0.987 365 T CA -0.504 61.537 62.100 -0.098 0.000 0.993 365 T CB 0.775 69.597 68.868 -0.076 0.000 0.939 365 T HN 0.108 nan 8.240 nan 0.000 0.449 366 S N 2.003 117.593 115.700 -0.184 0.000 2.530 366 S HA 0.669 5.140 4.470 0.002 0.000 0.322 366 S C -0.644 173.851 174.600 -0.176 0.000 1.085 366 S CA -0.574 57.528 58.200 -0.165 0.000 1.096 366 S CB 0.701 63.845 63.200 -0.094 0.000 0.988 366 S HN 0.727 nan 8.310 nan 0.000 0.466 367 S N 2.993 118.582 115.700 -0.184 0.000 2.541 367 S HA 0.802 5.273 4.470 0.002 0.000 0.280 367 S C -0.190 174.378 174.600 -0.053 0.000 1.112 367 S CA 0.124 58.256 58.200 -0.112 0.000 0.925 367 S CB 1.352 64.487 63.200 -0.108 0.000 1.067 367 S HN 1.317 nan 8.310 nan 0.000 0.479 368 G N 1.657 110.433 108.800 -0.039 0.000 3.643 368 G HA2 0.424 4.385 3.960 0.002 0.000 0.232 368 G HA3 0.424 4.385 3.960 0.002 0.000 0.232 368 G C 0.562 175.436 174.900 -0.044 0.000 3.381 368 G CA 0.133 45.220 45.100 -0.020 0.000 0.783 368 G HN 1.827 nan 8.290 nan 0.000 0.357 369 G N -0.528 108.238 108.800 -0.058 0.000 2.462 369 G HA2 0.100 4.061 3.960 0.002 0.000 0.283 369 G HA3 0.100 4.061 3.960 0.002 0.000 0.283 369 G C -0.282 174.507 174.900 -0.185 0.000 1.043 369 G CA 0.405 45.450 45.100 -0.091 0.000 1.300 369 G HN 1.260 nan 8.290 nan 0.000 0.518 370 L N 1.726 122.796 121.223 -0.256 0.000 2.362 370 L HA 0.870 5.211 4.340 0.002 0.000 0.271 370 L C 0.266 176.838 176.870 -0.498 0.000 1.002 370 L CA -1.239 53.353 54.840 -0.412 0.000 0.818 370 L CB 2.094 43.976 42.059 -0.295 0.000 1.298 370 L HN 0.655 nan 8.230 nan 0.000 0.420 371 H N -0.328 118.488 119.070 -0.423 0.000 2.812 371 H HA 0.591 5.148 4.556 0.002 0.000 0.355 371 H C -2.464 172.648 175.328 -0.361 0.000 1.207 371 H CA -2.537 53.138 56.048 -0.623 0.000 1.217 371 H CB 0.050 29.224 29.762 -0.981 0.000 1.874 371 H HN 0.231 nan 8.280 nan 0.000 0.581 372 P HA -0.066 nan 4.420 nan 0.000 0.219 372 P C 0.824 178.145 177.300 0.035 0.000 1.144 372 P CA 2.298 65.379 63.100 -0.032 0.000 0.806 372 P CB 0.051 31.788 31.700 0.061 0.000 0.771 373 G N -1.718 107.225 108.800 0.239 0.000 3.936 373 G HA2 0.073 4.034 3.960 0.002 0.000 0.296 373 G HA3 0.073 4.034 3.960 0.002 0.000 0.296 373 G C 0.563 175.559 174.900 0.161 0.000 1.121 373 G CA -0.093 45.120 45.100 0.188 0.000 0.899 373 G HN 0.262 nan 8.290 nan 0.000 0.542 374 N N -0.684 117.926 118.700 -0.149 0.000 2.218 374 N HA 0.127 4.868 4.740 0.002 0.000 0.224 374 N C 1.803 177.172 175.510 -0.235 0.000 1.248 374 N CA -0.243 52.584 53.050 -0.371 0.000 0.875 374 N CB 0.434 38.269 38.487 -1.086 0.000 1.165 374 N HN 0.188 nan 8.380 nan 0.000 0.485 375 I N 1.480 121.927 120.570 -0.206 0.000 2.099 375 I HA -0.330 3.841 4.170 0.002 0.000 0.239 375 I C 2.481 178.537 176.117 -0.102 0.000 1.066 375 I CA 1.271 62.476 61.300 -0.158 0.000 1.324 375 I CB -0.706 37.197 38.000 -0.161 0.000 1.037 375 I HN 0.243 nan 8.210 nan 0.000 0.401 376 Q N 1.661 121.413 119.800 -0.080 0.000 2.032 376 Q HA -0.261 4.080 4.340 0.002 0.000 0.217 376 Q C -0.540 175.440 176.000 -0.033 0.000 1.058 376 Q CA 3.283 59.057 55.803 -0.048 0.000 0.911 376 Q CB -1.669 27.053 28.738 -0.026 0.000 1.045 376 Q HN 0.268 nan 8.270 nan 0.000 0.429 377 P HA -0.189 nan 4.420 nan 0.000 0.216 377 P C 1.329 178.621 177.300 -0.013 0.000 1.157 377 P CA 1.960 65.054 63.100 -0.011 0.000 0.880 377 P CB -0.101 31.595 31.700 -0.008 0.000 0.791 378 V N 0.867 120.760 119.914 -0.034 0.000 2.229 378 V HA -0.200 3.921 4.120 0.002 0.000 0.243 378 V C 2.263 178.343 176.094 -0.023 0.000 1.042 378 V CA 1.916 64.197 62.300 -0.032 0.000 1.000 378 V CB -1.567 30.221 31.823 -0.057 0.000 0.637 378 V HN 0.100 nan 8.190 nan 0.000 0.446 379 I N -1.243 119.306 120.570 -0.035 0.000 3.387 379 I HA -0.062 4.109 4.170 0.002 0.000 0.298 379 I C 1.798 177.910 176.117 -0.009 0.000 1.311 379 I CA 1.501 62.787 61.300 -0.023 0.000 1.318 379 I CB -0.481 37.495 38.000 -0.040 0.000 1.023 379 I HN 0.425 nan 8.210 nan 0.000 0.540 380 E N 1.161 121.358 120.200 -0.004 0.000 2.391 380 E HA 0.214 4.565 4.350 0.002 0.000 0.206 380 E C 2.186 178.798 176.600 0.020 0.000 0.851 380 E CA 0.627 57.032 56.400 0.007 0.000 1.059 380 E CB 0.278 29.981 29.700 0.005 0.000 1.065 380 E HN 0.509 nan 8.360 nan 0.000 0.512 381 A N 0.592 123.425 122.820 0.021 0.000 2.081 381 A HA 0.083 4.404 4.320 0.002 0.000 0.214 381 A C 1.566 179.171 177.584 0.036 0.000 1.158 381 A CA 0.469 52.528 52.037 0.035 0.000 0.724 381 A CB 0.224 19.247 19.000 0.038 0.000 0.826 381 A HN 0.217 nan 8.150 nan 0.000 0.463 382 L N -1.848 119.390 121.223 0.025 0.000 2.701 382 L HA 0.338 4.679 4.340 0.002 0.000 0.238 382 L C 1.165 178.057 176.870 0.036 0.000 1.106 382 L CA 1.356 56.213 54.840 0.028 0.000 0.898 382 L CB -1.271 40.798 42.059 0.017 0.000 1.188 382 L HN 0.560 nan 8.230 nan 0.000 0.508 383 G N 0.314 109.133 108.800 0.032 0.000 2.655 383 G HA2 -0.243 3.718 3.960 0.002 0.000 0.680 383 G HA3 -0.243 3.718 3.960 0.002 0.000 0.680 383 G C 0.664 175.590 174.900 0.044 0.000 1.302 383 G CA 0.028 45.151 45.100 0.038 0.000 0.872 383 G HN 0.109 nan 8.290 nan 0.000 0.540 384 T N -2.619 111.967 114.554 0.053 0.000 3.067 384 T HA 0.173 4.524 4.350 0.002 0.000 0.261 384 T C 0.698 175.475 174.700 0.128 0.000 1.110 384 T CA 1.431 63.570 62.100 0.064 0.000 1.113 384 T CB 0.172 69.072 68.868 0.054 0.000 0.917 384 T HN 0.443 nan 8.240 nan 0.000 0.499 385 D N 2.720 123.217 120.400 0.162 0.000 2.558 385 D HA 0.403 5.044 4.640 0.002 0.000 0.221 385 D C 0.071 176.608 176.300 0.396 0.000 1.143 385 D CA -0.030 54.161 54.000 0.318 0.000 1.010 385 D CB -0.171 40.718 40.800 0.148 0.000 1.068 385 D HN 0.695 nan 8.370 nan 0.000 0.511 386 I N -2.858 117.889 120.570 0.295 0.000 2.984 386 I HA 0.468 4.639 4.170 0.002 0.000 0.303 386 I C -1.071 174.956 176.117 -0.150 0.000 1.381 386 I CA -1.196 60.181 61.300 0.130 0.000 0.988 386 I CB 1.959 39.996 38.000 0.062 0.000 1.307 386 I HN -0.334 nan 8.210 nan 0.000 0.460 387 V N 4.244 124.051 119.914 -0.179 0.000 2.427 387 V HA 0.498 4.619 4.120 0.002 0.000 0.286 387 V C -0.031 176.038 176.094 -0.042 0.000 1.034 387 V CA -0.446 61.752 62.300 -0.170 0.000 0.893 387 V CB 1.407 33.160 31.823 -0.118 0.000 0.982 387 V HN 0.481 nan 8.190 nan 0.000 0.452 388 L N 4.353 125.581 121.223 0.008 0.000 2.322 388 L HA 0.615 4.956 4.340 0.002 0.000 0.281 388 L C -0.372 176.530 176.870 0.054 0.000 1.014 388 L CA -0.577 54.267 54.840 0.007 0.000 0.815 388 L CB 1.888 43.939 42.059 -0.013 0.000 1.247 388 L HN 0.685 nan 8.230 nan 0.000 0.421 389 Q N 4.886 124.693 119.800 0.012 0.000 2.357 389 Q HA 0.513 4.854 4.340 0.002 0.000 0.266 389 Q C -1.868 174.128 176.000 -0.007 0.000 1.021 389 Q CA -0.151 55.663 55.803 0.019 0.000 0.784 389 Q CB 1.300 30.070 28.738 0.052 0.000 1.243 389 Q HN 0.574 nan 8.270 nan 0.000 0.465 390 L N 4.560 125.796 121.223 0.022 0.000 2.295 390 L HA 0.613 4.954 4.340 0.002 0.000 0.281 390 L C 0.741 177.604 176.870 -0.012 0.000 1.018 390 L CA -0.644 54.192 54.840 -0.006 0.000 0.841 390 L CB 1.411 43.486 42.059 0.026 0.000 1.218 390 L HN 0.925 nan 8.230 nan 0.000 0.424 391 G N 2.015 110.798 108.800 -0.029 0.000 2.558 391 G HA2 0.053 4.013 3.960 0.002 0.000 0.218 391 G HA3 0.053 4.013 3.960 0.002 0.000 0.218 391 G C 1.265 176.161 174.900 -0.006 0.000 1.567 391 G CA 0.755 45.852 45.100 -0.005 0.000 0.950 391 G HN 0.680 nan 8.290 nan 0.000 0.517 392 G N 0.794 109.589 108.800 -0.008 0.000 2.476 392 G HA2 -0.028 3.933 3.960 0.002 0.000 0.218 392 G HA3 -0.028 3.933 3.960 0.002 0.000 0.218 392 G C 1.786 176.669 174.900 -0.029 0.000 1.164 392 G CA 1.522 46.639 45.100 0.030 0.000 0.768 392 G HN 0.819 nan 8.290 nan 0.000 0.560 393 G N -0.647 107.981 108.800 -0.286 0.000 2.564 393 G HA2 0.005 3.966 3.960 0.002 0.000 0.217 393 G HA3 0.005 3.966 3.960 0.002 0.000 0.217 393 G C 1.482 176.257 174.900 -0.207 0.000 1.120 393 G CA 1.844 46.577 45.100 -0.612 0.000 0.752 393 G HN 0.477 nan 8.290 nan 0.000 0.558 394 T N -0.181 114.387 114.554 0.022 0.000 3.098 394 T HA 0.158 4.509 4.350 0.002 0.000 0.246 394 T C 1.781 176.583 174.700 0.170 0.000 0.983 394 T CA -0.244 61.929 62.100 0.123 0.000 1.094 394 T CB 0.082 69.007 68.868 0.094 0.000 1.035 394 T HN 0.012 nan 8.240 nan 0.000 0.456 395 L N 1.653 122.953 121.223 0.129 0.000 2.554 395 L HA 0.332 4.673 4.340 0.002 0.000 0.226 395 L C 2.336 179.317 176.870 0.184 0.000 1.137 395 L CA 1.005 55.913 54.840 0.113 0.000 0.863 395 L CB -1.613 40.479 42.059 0.054 0.000 0.985 395 L HN 0.385 nan 8.230 nan 0.000 0.451 396 G N -2.383 106.611 108.800 0.323 0.000 2.838 396 G HA2 -0.113 3.848 3.960 0.002 0.000 0.210 396 G HA3 -0.113 3.848 3.960 0.002 0.000 0.210 396 G C 0.744 175.838 174.900 0.324 0.000 1.153 396 G CA -0.226 45.105 45.100 0.384 0.000 0.778 396 G HN 0.351 nan 8.290 nan 0.000 0.539 397 H N 1.817 121.093 119.070 0.344 0.000 3.094 397 H HA 0.019 4.575 4.556 0.002 0.000 0.320 397 H C -1.284 173.994 175.328 -0.082 0.000 1.000 397 H CA -0.900 55.193 56.048 0.074 0.000 1.413 397 H CB 1.481 31.359 29.762 0.193 0.000 1.405 397 H HN -0.036 nan 8.280 nan 0.000 0.586 398 P HA -0.170 nan 4.420 nan 0.000 0.215 398 P C 0.509 177.865 177.300 0.093 0.000 1.163 398 P CA 1.716 64.721 63.100 -0.159 0.000 0.894 398 P CB 0.247 31.739 31.700 -0.347 0.000 0.791 399 D N -1.047 119.571 120.400 0.363 0.000 2.323 399 D HA 0.280 4.921 4.640 0.002 0.000 0.239 399 D C 0.990 177.340 176.300 0.083 0.000 1.129 399 D CA 0.765 54.877 54.000 0.185 0.000 0.865 399 D CB -0.611 40.292 40.800 0.171 0.000 0.913 399 D HN 0.168 nan 8.370 nan 0.000 0.517 400 G N 0.901 109.772 108.800 0.118 0.000 2.692 400 G HA2 -0.173 3.787 3.960 0.002 0.000 0.686 400 G HA3 -0.173 3.787 3.960 0.002 0.000 0.686 400 G C -2.097 172.802 174.900 -0.003 0.000 1.243 400 G CA -1.016 44.107 45.100 0.038 0.000 0.782 400 G HN -0.109 nan 8.290 nan 0.000 0.625 401 P HA -0.138 nan 4.420 nan 0.000 0.217 401 P C 2.332 179.587 177.300 -0.075 0.000 1.151 401 P CA 2.973 66.064 63.100 -0.016 0.000 0.849 401 P CB 0.043 31.725 31.700 -0.030 0.000 0.787 402 A N -0.119 122.646 122.820 -0.092 0.000 1.903 402 A HA -0.243 4.078 4.320 0.002 0.000 0.219 402 A C 2.322 179.818 177.584 -0.148 0.000 1.191 402 A CA 2.626 54.593 52.037 -0.117 0.000 0.638 402 A CB -1.630 17.309 19.000 -0.101 0.000 0.823 402 A HN 0.242 nan 8.150 nan 0.000 0.451 403 A N -0.921 121.771 122.820 -0.213 0.000 1.872 403 A HA 0.244 4.565 4.320 0.002 0.000 0.214 403 A C 2.500 179.841 177.584 -0.405 0.000 1.187 403 A CA 1.671 53.496 52.037 -0.352 0.000 0.614 403 A CB -1.552 17.115 19.000 -0.556 0.000 0.826 403 A HN 0.982 nan 8.150 nan 0.000 0.442 404 G N -0.200 108.360 108.800 -0.400 0.000 2.581 404 G HA2 -0.140 3.821 3.960 0.002 0.000 0.223 404 G HA3 -0.140 3.821 3.960 0.002 0.000 0.223 404 G C 1.577 176.476 174.900 -0.001 0.000 1.094 404 G CA 1.778 46.840 45.100 -0.063 0.000 0.736 404 G HN 0.823 nan 8.290 nan 0.000 0.588 405 A N 0.715 123.517 122.820 -0.030 0.000 1.840 405 A HA 0.074 4.395 4.320 0.002 0.000 0.214 405 A C 2.460 180.049 177.584 0.008 0.000 1.198 405 A CA 1.614 53.684 52.037 0.055 0.000 0.608 405 A CB -0.379 18.613 19.000 -0.013 0.000 0.839 405 A HN 0.345 nan 8.150 nan 0.000 0.443 406 R N -0.354 120.117 120.500 -0.049 0.000 2.092 406 R HA -0.012 4.329 4.340 0.002 0.000 0.231 406 R C 2.422 178.694 176.300 -0.047 0.000 1.119 406 R CA 1.083 57.157 56.100 -0.044 0.000 0.970 406 R CB -0.505 29.773 30.300 -0.035 0.000 0.864 406 R HN 0.512 nan 8.270 nan 0.000 0.440 407 A N 0.647 123.445 122.820 -0.037 0.000 1.927 407 A HA -0.180 4.141 4.320 0.002 0.000 0.220 407 A C 2.286 179.842 177.584 -0.046 0.000 1.185 407 A CA 1.878 53.942 52.037 0.044 0.000 0.639 407 A CB -0.588 18.547 19.000 0.225 0.000 0.820 407 A HN 0.150 nan 8.150 nan 0.000 0.451 408 V N -0.786 119.029 119.914 -0.165 0.000 2.488 408 V HA -0.115 4.006 4.120 0.002 0.000 0.246 408 V C 2.571 178.421 176.094 -0.406 0.000 1.046 408 V CA 1.976 64.046 62.300 -0.384 0.000 1.053 408 V CB -0.728 30.613 31.823 -0.803 0.000 0.679 408 V HN 0.537 nan 8.190 nan 0.000 0.458 409 R N 0.526 120.849 120.500 -0.295 0.000 2.075 409 R HA -0.117 4.224 4.340 0.002 0.000 0.232 409 R C 2.272 178.461 176.300 -0.184 0.000 1.126 409 R CA 1.636 57.620 56.100 -0.194 0.000 0.963 409 R CB -0.504 29.752 30.300 -0.074 0.000 0.858 409 R HN 0.606 nan 8.270 nan 0.000 0.435 410 Q N -0.845 118.858 119.800 -0.162 0.000 2.020 410 Q HA -0.074 4.267 4.340 0.002 0.000 0.202 410 Q C 2.102 177.856 176.000 -0.410 0.000 0.982 410 Q CA 1.732 57.401 55.803 -0.223 0.000 0.838 410 Q CB -0.284 28.410 28.738 -0.073 0.000 0.899 410 Q HN 0.424 nan 8.270 nan 0.000 0.423 411 A N 1.076 123.720 122.820 -0.293 0.000 1.948 411 A HA -0.214 4.107 4.320 0.002 0.000 0.220 411 A C 1.993 179.394 177.584 -0.304 0.000 1.177 411 A CA 1.315 53.178 52.037 -0.290 0.000 0.636 411 A CB -0.579 18.308 19.000 -0.190 0.000 0.815 411 A HN 0.263 nan 8.150 nan 0.000 0.449 412 I N 0.271 120.675 120.570 -0.277 0.000 2.133 412 I HA -0.197 3.974 4.170 0.002 0.000 0.238 412 I C 1.938 177.919 176.117 -0.226 0.000 1.074 412 I CA 1.880 63.047 61.300 -0.222 0.000 1.342 412 I CB -1.794 36.093 38.000 -0.188 0.000 1.053 412 I HN 0.278 nan 8.210 nan 0.000 0.404 413 D N 1.181 121.430 120.400 -0.252 0.000 2.172 413 D HA -0.172 4.469 4.640 0.002 0.000 0.196 413 D C 2.201 178.310 176.300 -0.320 0.000 0.999 413 D CA 1.720 55.580 54.000 -0.233 0.000 0.856 413 D CB -0.088 40.590 40.800 -0.203 0.000 0.934 413 D HN 0.374 nan 8.370 nan 0.000 0.453 414 A N 0.656 123.119 122.820 -0.595 0.000 1.825 414 A HA -0.081 4.239 4.320 0.002 0.000 0.214 414 A C 2.197 179.628 177.584 -0.255 0.000 1.206 414 A CA 0.845 52.514 52.037 -0.613 0.000 0.609 414 A CB -1.004 17.407 19.000 -0.982 0.000 0.851 414 A HN 0.280 nan 8.150 nan 0.000 0.445 415 I N -1.349 119.085 120.570 -0.226 0.000 2.908 415 I HA -0.206 3.965 4.170 0.002 0.000 0.271 415 I C 1.914 177.977 176.117 -0.090 0.000 1.275 415 I CA 1.296 62.522 61.300 -0.125 0.000 1.446 415 I CB 0.057 37.986 38.000 -0.117 0.000 1.092 415 I HN 0.382 nan 8.210 nan 0.000 0.482 416 M N -0.252 119.286 119.600 -0.105 0.000 2.428 416 M HA 0.079 4.560 4.480 0.002 0.000 0.239 416 M C 0.871 177.148 176.300 -0.038 0.000 1.121 416 M CA 1.080 56.342 55.300 -0.063 0.000 1.019 416 M CB 0.183 32.743 32.600 -0.067 0.000 1.485 416 M HN 0.144 nan 8.290 nan 0.000 0.484 417 Q N -1.376 118.399 119.800 -0.041 0.000 2.144 417 Q HA 0.394 4.735 4.340 0.002 0.000 0.305 417 Q C 1.011 177.016 176.000 0.008 0.000 0.876 417 Q CA 0.221 56.021 55.803 -0.005 0.000 1.130 417 Q CB 0.556 29.304 28.738 0.017 0.000 1.267 417 Q HN 0.563 nan 8.270 nan 0.000 0.433 418 G N 1.588 110.387 108.800 -0.003 0.000 3.246 418 G HA2 -0.387 3.574 3.960 0.002 0.000 0.227 418 G HA3 -0.387 3.574 3.960 0.002 0.000 0.227 418 G C 0.549 175.459 174.900 0.016 0.000 1.291 418 G CA 0.417 45.521 45.100 0.008 0.000 0.900 418 G HN 0.466 nan 8.290 nan 0.000 0.538 419 I N 3.440 124.034 120.570 0.039 0.000 3.299 419 I HA -0.037 4.134 4.170 0.002 0.000 0.351 419 I C -1.454 174.697 176.117 0.056 0.000 1.161 419 I CA -0.258 61.087 61.300 0.075 0.000 1.513 419 I CB 0.025 38.124 38.000 0.166 0.000 1.264 419 I HN 0.159 nan 8.210 nan 0.000 0.505 420 P HA 0.166 nan 4.420 nan 0.000 0.276 420 P C 0.604 177.951 177.300 0.078 0.000 1.252 420 P CA -0.510 62.623 63.100 0.054 0.000 0.802 420 P CB 0.644 32.375 31.700 0.053 0.000 1.035 421 L N 0.131 121.387 121.223 0.055 0.000 2.275 421 L HA -0.132 4.209 4.340 0.002 0.000 0.215 421 L C 1.270 178.205 176.870 0.109 0.000 1.119 421 L CA 1.266 56.148 54.840 0.069 0.000 0.790 421 L CB -0.579 41.505 42.059 0.041 0.000 0.919 421 L HN 0.357 nan 8.230 nan 0.000 0.443 422 D N 0.088 120.541 120.400 0.088 0.000 2.077 422 D HA -0.223 4.418 4.640 0.002 0.000 0.197 422 D C 1.926 178.281 176.300 0.091 0.000 0.983 422 D CA 1.137 55.184 54.000 0.078 0.000 0.841 422 D CB -0.266 40.568 40.800 0.057 0.000 0.992 422 D HN 0.148 nan 8.370 nan 0.000 0.450 423 E N -0.236 120.017 120.200 0.089 0.000 2.147 423 E HA -0.243 4.108 4.350 0.002 0.000 0.199 423 E C 1.935 178.591 176.600 0.093 0.000 1.005 423 E CA 1.104 57.550 56.400 0.077 0.000 0.810 423 E CB -0.448 29.296 29.700 0.074 0.000 0.736 423 E HN 0.386 nan 8.360 nan 0.000 0.460 424 Y N -0.368 119.958 120.300 0.043 0.000 2.457 424 Y HA 0.135 4.686 4.550 0.002 0.000 0.292 424 Y C 2.071 178.040 175.900 0.116 0.000 1.125 424 Y CA 0.860 58.996 58.100 0.060 0.000 1.254 424 Y CB -0.368 38.067 38.460 -0.042 0.000 1.012 424 Y HN 0.179 nan 8.280 nan 0.000 0.555 425 A N 0.373 123.320 122.820 0.211 0.000 1.892 425 A HA -0.217 4.104 4.320 0.002 0.000 0.218 425 A C 1.475 179.129 177.584 0.117 0.000 1.188 425 A CA 1.283 53.415 52.037 0.158 0.000 0.631 425 A CB -0.603 18.456 19.000 0.099 0.000 0.822 425 A HN 0.352 nan 8.150 nan 0.000 0.447 426 K N -0.757 119.681 120.400 0.064 0.000 2.168 426 K HA 0.273 4.594 4.320 0.002 0.000 0.258 426 K C 1.010 177.585 176.600 -0.042 0.000 1.010 426 K CA 0.761 57.051 56.287 0.006 0.000 0.929 426 K CB 0.334 32.826 32.500 -0.013 0.000 0.998 426 K HN 0.713 nan 8.250 nan 0.000 0.479 427 T N -1.296 113.178 114.554 -0.133 0.000 6.974 427 T HA -0.237 4.114 4.350 0.002 0.000 0.287 427 T C -0.388 173.919 174.700 -0.655 0.000 2.146 427 T CA 1.665 63.560 62.100 -0.343 0.000 3.451 427 T CB -2.132 66.501 68.868 -0.392 0.000 1.630 427 T HN 0.899 nan 8.240 nan 0.000 1.173 428 H N 0.921 119.958 119.070 -0.055 0.000 2.651 428 H HA 0.550 5.107 4.556 0.002 0.000 0.252 428 H C 1.005 176.364 175.328 0.052 0.000 1.365 428 H CA -0.685 55.374 56.048 0.018 0.000 1.539 428 H CB 1.170 30.995 29.762 0.104 0.000 1.621 428 H HN 0.247 nan 8.280 nan 0.000 0.526 429 K N 0.909 121.357 120.400 0.080 0.000 2.032 429 K HA -0.278 4.043 4.320 0.002 0.000 0.218 429 K C 1.253 177.929 176.600 0.126 0.000 1.054 429 K CA 2.015 58.346 56.287 0.073 0.000 0.941 429 K CB 0.094 32.615 32.500 0.036 0.000 0.720 429 K HN 0.394 nan 8.250 nan 0.000 0.449 430 E N 1.044 121.329 120.200 0.142 0.000 2.068 430 E HA -0.214 4.137 4.350 0.002 0.000 0.207 430 E C 1.959 178.727 176.600 0.280 0.000 1.032 430 E CA 1.345 57.863 56.400 0.196 0.000 0.839 430 E CB -0.330 29.420 29.700 0.083 0.000 0.758 430 E HN 0.238 nan 8.360 nan 0.000 0.457 431 L N -0.228 121.120 121.223 0.209 0.000 2.017 431 L HA -0.203 4.138 4.340 0.002 0.000 0.208 431 L C 2.198 179.155 176.870 0.143 0.000 1.073 431 L CA 1.381 56.328 54.840 0.179 0.000 0.745 431 L CB -0.397 41.764 42.059 0.170 0.000 0.894 431 L HN 0.245 nan 8.230 nan 0.000 0.432 432 A N -0.006 122.894 122.820 0.132 0.000 1.841 432 A HA -0.260 4.061 4.320 0.002 0.000 0.216 432 A C 2.270 179.864 177.584 0.017 0.000 1.199 432 A CA 1.714 53.795 52.037 0.074 0.000 0.621 432 A CB -0.732 18.307 19.000 0.065 0.000 0.835 432 A HN 0.371 nan 8.150 nan 0.000 0.445 433 R N -0.614 119.895 120.500 0.015 0.000 2.134 433 R HA -0.246 4.095 4.340 0.002 0.000 0.248 433 R C 2.466 178.595 176.300 -0.285 0.000 1.143 433 R CA 1.670 57.712 56.100 -0.097 0.000 0.957 433 R CB -1.054 29.241 30.300 -0.008 0.000 0.867 433 R HN 0.583 nan 8.270 nan 0.000 0.441 434 A N 1.198 123.897 122.820 -0.202 0.000 1.851 434 A HA -0.154 4.167 4.320 0.002 0.000 0.216 434 A C 2.421 179.933 177.584 -0.120 0.000 1.195 434 A CA 1.302 53.206 52.037 -0.222 0.000 0.622 434 A CB -0.754 18.415 19.000 0.282 0.000 0.831 434 A HN 0.235 nan 8.150 nan 0.000 0.444 435 L N -0.672 120.552 121.223 0.001 0.000 2.081 435 L HA -0.262 4.079 4.340 0.002 0.000 0.212 435 L C 2.647 179.477 176.870 -0.068 0.000 1.080 435 L CA 1.785 56.624 54.840 -0.002 0.000 0.754 435 L CB -0.608 41.471 42.059 0.034 0.000 0.893 435 L HN 0.518 nan 8.230 nan 0.000 0.433 436 E N -0.256 119.877 120.200 -0.110 0.000 2.118 436 E HA -0.242 4.109 4.350 0.002 0.000 0.195 436 E C 1.673 178.165 176.600 -0.179 0.000 0.992 436 E CA 1.221 57.549 56.400 -0.120 0.000 0.804 436 E CB 0.108 29.727 29.700 -0.134 0.000 0.741 436 E HN 0.370 nan 8.360 nan 0.000 0.458 437 K N 0.291 120.475 120.400 -0.360 0.000 3.073 437 K HA -0.030 4.291 4.320 0.002 0.000 0.232 437 K C 1.216 177.632 176.600 -0.307 0.000 1.135 437 K CA 0.333 56.310 56.287 -0.517 0.000 1.428 437 K CB -0.139 31.694 32.500 -1.111 0.000 1.921 437 K HN 0.178 nan 8.250 nan 0.000 0.546 438 W N 0.733 121.879 121.300 -0.256 0.000 3.392 438 W HA 0.190 4.852 4.660 0.002 0.000 0.277 438 W C 0.198 175.861 176.519 -1.428 0.000 1.323 438 W CA -0.646 56.367 57.345 -0.554 0.000 1.616 438 W CB -0.650 28.586 29.460 -0.372 0.000 1.056 438 W HN 0.306 nan 8.180 nan 0.000 0.745 439 G N 2.487 111.102 108.800 -0.308 0.000 3.343 439 G HA2 0.052 4.012 3.960 0.002 0.000 0.279 439 G HA3 0.052 4.012 3.960 0.002 0.000 0.279 439 G C -0.217 174.560 174.900 -0.206 0.000 0.919 439 G CA -0.468 44.474 45.100 -0.264 0.000 1.812 439 G HN 0.360 nan 8.290 nan 0.000 0.584 440 H N 1.886 120.929 119.070 -0.046 0.000 2.882 440 H HA 0.188 4.745 4.556 0.002 0.000 0.258 440 H C 0.678 176.064 175.328 0.096 0.000 1.579 440 H CA -0.892 55.178 56.048 0.036 0.000 1.340 440 H CB -0.170 29.618 29.762 0.044 0.000 1.645 440 H HN 0.045 nan 8.280 nan 0.000 0.541 441 V N 3.269 123.266 119.914 0.138 0.000 3.103 441 V HA -0.118 4.003 4.120 0.002 0.000 0.292 441 V C 0.870 177.033 176.094 0.114 0.000 1.269 441 V CA 0.871 63.236 62.300 0.108 0.000 1.370 441 V CB 0.141 32.010 31.823 0.077 0.000 0.945 441 V HN 0.829 nan 8.190 nan 0.000 0.521 442 T N 4.451 119.056 114.554 0.085 0.000 3.237 442 T HA 0.421 4.772 4.350 0.002 0.000 0.319 442 T C -2.379 172.349 174.700 0.047 0.000 1.037 442 T CA -0.679 61.465 62.100 0.073 0.000 1.048 442 T CB 1.761 70.679 68.868 0.083 0.000 1.081 442 T HN 0.558 nan 8.240 nan 0.000 0.455 443 P HA 0.000 nan 4.420 nan 0.000 0.216 443 P CA 0.000 63.119 63.100 0.031 0.000 0.800 443 P CB 0.000 31.718 31.700 0.031 0.000 0.726