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 2v67_1_E DATA FIRST_RESID 11 DATA SEQUENCE AGFKAGVKDY RLTYYTPDYV VRDTDILAAF RMTPQPGVPP EECGAAVAAE DATA SEQUENCE SSTGTWTTVW TDGLTSLDRY KGRCYDIEPV PGEDNQYIAY VAYXIDLFEE DATA SEQUENCE GSVTNMFTSI VGNVFGFKAL RALRLEDLRI PPAYVKTFVG XPHGIQVERD DATA SEQUENCE KLNKYGRGLL GCTIKPKLGL SAKNYGRAVY ECLRGGLDFT XDDENVNSQP DATA SEQUENCE FMRWRDRFLF VAEAIYKAQA ETGEVKGHYL NATAGTCEEM MKRAVXAKEL DATA SEQUENCE GVPIIMHDYL TGGFTANTSL AIYCRDNGLL LHIHRAMHAV IDRQRNHGIH DATA SEQUENCE FRVLAKALRM SGGDHLHSGT VVGKLEGERE VILGFVDLMR DDYVEKDRSR DATA SEQUENCE GIYFTQDWXS MPGVMPVASG GIHVWHMPAL VEIFGDDACL QFGGGTLGHP DATA SEQUENCE WGNAPGAAAN RVALEACTQA RNEGRDLARE GGDVIRSAcK WSPELAAAcE DATA SEQUENCE VWKEIKFEFD TIDKL 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 11 A HA 0.000 nan 4.320 nan 0.000 0.244 11 A C 0.000 177.616 177.584 0.054 0.000 1.274 11 A CA 0.000 52.054 52.037 0.029 0.000 0.836 11 A CB 0.000 19.014 19.000 0.023 0.000 0.831 12 G N 0.296 109.131 108.800 0.058 0.000 2.543 12 G HA2 0.545 4.505 3.960 -0.000 0.000 0.290 12 G HA3 0.545 4.505 3.960 -0.000 0.000 0.290 12 G C -0.219 174.775 174.900 0.157 0.000 1.310 12 G CA -0.607 44.552 45.100 0.098 0.000 1.025 12 G HN 1.243 nan 8.290 nan 0.000 0.502 13 F N 0.663 120.635 119.950 0.036 0.000 2.445 13 F HA 0.479 5.006 4.527 -0.000 0.000 0.359 13 F C 0.370 176.185 175.800 0.025 0.000 1.101 13 F CA -0.941 57.090 58.000 0.052 0.000 1.177 13 F CB 0.944 40.004 39.000 0.099 0.000 1.110 13 F HN 0.173 nan 8.300 nan 0.000 0.522 14 K N 6.361 126.507 120.400 -0.425 0.000 2.507 14 K HA 0.620 4.940 4.320 -0.000 0.000 0.253 14 K C -0.763 175.413 176.600 -0.707 0.000 0.969 14 K CA -0.655 55.303 56.287 -0.548 0.000 0.908 14 K CB 1.113 33.476 32.500 -0.227 0.000 1.127 14 K HN 0.832 nan 8.250 nan 0.000 0.437 15 A N 2.568 124.812 122.820 -0.959 0.000 2.483 15 A HA 0.573 4.893 4.320 -0.000 0.000 0.238 15 A C 0.507 177.956 177.584 -0.224 0.000 1.070 15 A CA 0.945 52.675 52.037 -0.513 0.000 0.770 15 A CB 0.003 18.808 19.000 -0.323 0.000 1.008 15 A HN 1.011 nan 8.150 nan 0.000 0.497 16 G N -0.950 107.773 108.800 -0.129 0.000 2.423 16 G HA2 0.302 4.262 3.960 -0.000 0.000 0.684 16 G HA3 0.302 4.262 3.960 -0.000 0.000 0.684 16 G C -0.863 173.971 174.900 -0.109 0.000 1.309 16 G CA -0.470 44.571 45.100 -0.099 0.000 0.950 16 G HN 1.487 nan 8.290 nan 0.000 0.587 17 V N 1.476 121.352 119.914 -0.063 0.000 2.498 17 V HA 0.634 4.754 4.120 -0.000 0.000 0.279 17 V C 0.713 176.773 176.094 -0.057 0.000 1.048 17 V CA 0.629 62.896 62.300 -0.055 0.000 0.967 17 V CB 1.076 32.934 31.823 0.059 0.000 0.988 17 V HN 1.056 nan 8.190 nan 0.000 0.473 18 K N 1.888 122.233 120.400 -0.092 0.000 2.433 18 K HA 0.629 4.949 4.320 -0.000 0.000 0.252 18 K C -1.358 175.173 176.600 -0.114 0.000 1.015 18 K CA -1.095 55.148 56.287 -0.073 0.000 0.860 18 K CB 1.614 34.084 32.500 -0.051 0.000 1.359 18 K HN 0.325 nan 8.250 nan 0.000 0.452 19 D N 0.956 121.322 120.400 -0.056 0.000 2.455 19 D HA 0.017 4.656 4.640 -0.000 0.000 0.241 19 D C 0.569 176.870 176.300 0.001 0.000 1.138 19 D CA 0.214 54.196 54.000 -0.030 0.000 0.877 19 D CB 0.202 41.019 40.800 0.028 0.000 1.187 19 D HN 0.450 nan 8.370 nan 0.000 0.451 20 Y N 1.437 121.791 120.300 0.090 0.000 2.207 20 Y HA -0.225 4.325 4.550 -0.000 0.000 0.287 20 Y C 2.416 178.433 175.900 0.196 0.000 1.156 20 Y CA 1.329 59.520 58.100 0.153 0.000 1.182 20 Y CB -0.279 38.210 38.460 0.047 0.000 0.979 20 Y HN 0.465 nan 8.280 nan 0.000 0.521 21 R N 0.557 121.220 120.500 0.270 0.000 2.200 21 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 21 R C 1.651 178.066 176.300 0.192 0.000 1.127 21 R CA 1.634 57.867 56.100 0.222 0.000 0.989 21 R CB -1.088 29.279 30.300 0.110 0.000 0.869 21 R HN 0.374 nan 8.270 nan 0.000 0.459 22 L N 0.746 122.047 121.223 0.131 0.000 2.201 22 L HA -0.069 4.271 4.340 -0.000 0.000 0.212 22 L C 1.621 178.500 176.870 0.015 0.000 1.105 22 L CA 1.519 56.399 54.840 0.066 0.000 0.775 22 L CB -0.176 41.904 42.059 0.035 0.000 0.913 22 L HN 0.297 nan 8.230 nan 0.000 0.440 23 T N -3.089 111.463 114.554 -0.002 0.000 2.999 23 T HA 0.045 4.395 4.350 -0.000 0.000 0.247 23 T C 1.051 175.533 174.700 -0.365 0.000 1.012 23 T CA 0.349 62.297 62.100 -0.253 0.000 1.048 23 T CB 0.118 68.708 68.868 -0.463 0.000 1.020 23 T HN 0.128 nan 8.240 nan 0.000 0.478 24 Y N -0.473 119.869 120.300 0.070 0.000 2.444 24 Y HA 0.411 4.960 4.550 -0.000 0.000 0.249 24 Y C 0.086 176.034 175.900 0.079 0.000 1.134 24 Y CA -1.204 56.919 58.100 0.040 0.000 1.261 24 Y CB 0.455 38.938 38.460 0.038 0.000 1.143 24 Y HN 0.166 nan 8.280 nan 0.000 0.523 25 Y N 2.269 122.621 120.300 0.086 0.000 2.404 25 Y HA 0.403 4.953 4.550 -0.000 0.000 0.344 25 Y C 0.063 175.983 175.900 0.032 0.000 0.970 25 Y CA -1.345 56.783 58.100 0.048 0.000 1.180 25 Y CB 0.672 39.154 38.460 0.038 0.000 1.138 25 Y HN 0.029 nan 8.280 nan 0.000 0.510 26 T N 5.634 119.981 114.554 -0.345 0.000 3.410 26 T HA 0.275 4.625 4.350 -0.000 0.000 0.328 26 T C -2.309 172.226 174.700 -0.275 0.000 1.567 26 T CA -1.794 60.142 62.100 -0.273 0.000 1.626 26 T CB 0.992 69.786 68.868 -0.123 0.000 0.939 26 T HN 0.470 nan 8.240 nan 0.000 0.656 27 P HA 0.037 nan 4.420 nan 0.000 0.228 27 P C 0.213 177.480 177.300 -0.056 0.000 1.151 27 P CA 0.751 63.676 63.100 -0.292 0.000 0.770 27 P CB 0.242 31.734 31.700 -0.348 0.000 0.786 28 D N -2.025 118.349 120.400 -0.043 0.000 2.369 28 D HA 0.008 4.648 4.640 -0.000 0.000 0.211 28 D C 0.414 176.734 176.300 0.033 0.000 1.077 28 D CA -0.348 53.651 54.000 -0.003 0.000 0.842 28 D CB -0.493 40.296 40.800 -0.018 0.000 0.947 28 D HN 0.182 nan 8.370 nan 0.000 0.509 29 Y N 1.817 122.078 120.300 -0.066 0.000 2.620 29 Y HA 0.103 4.653 4.550 -0.000 0.000 0.330 29 Y C -0.142 175.687 175.900 -0.118 0.000 1.186 29 Y CA -0.093 57.957 58.100 -0.084 0.000 1.467 29 Y CB 0.595 39.010 38.460 -0.076 0.000 1.262 29 Y HN -0.331 nan 8.280 nan 0.000 0.550 30 V N 8.580 128.065 119.914 -0.716 0.000 2.350 30 V HA 0.211 4.331 4.120 -0.000 0.000 0.276 30 V C -0.320 175.136 176.094 -1.064 0.000 1.028 30 V CA -0.806 61.102 62.300 -0.653 0.000 0.860 30 V CB 0.813 32.406 31.823 -0.382 0.000 0.990 30 V HN 0.747 nan 8.190 nan 0.000 0.453 31 V N 4.439 123.866 119.914 -0.813 0.000 2.763 31 V HA 0.381 4.501 4.120 -0.000 0.000 0.306 31 V C 0.484 176.345 176.094 -0.388 0.000 1.059 31 V CA -0.462 61.455 62.300 -0.637 0.000 1.138 31 V CB 0.152 31.685 31.823 -0.482 0.000 0.940 31 V HN 0.832 nan 8.190 nan 0.000 0.489 32 R N 2.793 123.155 120.500 -0.229 0.000 2.500 32 R HA 0.294 4.634 4.340 -0.000 0.000 0.275 32 R C 0.305 176.553 176.300 -0.087 0.000 1.051 32 R CA -0.540 55.484 56.100 -0.126 0.000 1.088 32 R CB 0.690 30.963 30.300 -0.044 0.000 1.063 32 R HN 0.774 nan 8.270 nan 0.000 0.511 33 D N 0.528 120.888 120.400 -0.067 0.000 2.350 33 D HA -0.094 4.546 4.640 -0.000 0.000 0.216 33 D C 1.439 177.721 176.300 -0.029 0.000 0.968 33 D CA 1.364 55.335 54.000 -0.048 0.000 0.894 33 D CB 0.140 40.920 40.800 -0.032 0.000 0.909 33 D HN 0.630 nan 8.370 nan 0.000 0.520 34 T N -2.640 111.907 114.554 -0.013 0.000 3.060 34 T HA 0.029 4.379 4.350 -0.000 0.000 0.249 34 T C 0.514 175.223 174.700 0.016 0.000 1.079 34 T CA -0.479 61.629 62.100 0.012 0.000 1.013 34 T CB 0.324 69.211 68.868 0.032 0.000 0.975 34 T HN -0.227 nan 8.240 nan 0.000 0.518 35 D N 1.825 122.231 120.400 0.009 0.000 2.414 35 D HA 0.306 4.946 4.640 -0.000 0.000 0.242 35 D C -0.151 176.142 176.300 -0.012 0.000 1.129 35 D CA -0.413 53.612 54.000 0.042 0.000 0.885 35 D CB 0.684 41.518 40.800 0.058 0.000 1.198 35 D HN 0.194 nan 8.370 nan 0.000 0.437 36 I N 2.337 122.923 120.570 0.026 0.000 2.416 36 I HA 0.096 4.265 4.170 -0.000 0.000 0.288 36 I C 0.158 176.311 176.117 0.060 0.000 1.051 36 I CA -0.010 61.248 61.300 -0.070 0.000 1.375 36 I CB 0.318 38.145 38.000 -0.288 0.000 1.407 36 I HN 0.052 nan 8.210 nan 0.000 0.516 37 L N 6.190 127.316 121.223 -0.162 0.000 2.334 37 L HA 0.891 5.231 4.340 -0.000 0.000 0.276 37 L C -0.031 176.695 176.870 -0.239 0.000 1.014 37 L CA -0.788 53.936 54.840 -0.194 0.000 0.815 37 L CB 1.545 43.267 42.059 -0.562 0.000 1.268 37 L HN 0.661 nan 8.230 nan 0.000 0.428 38 A N 1.945 124.819 122.820 0.090 0.000 2.386 38 A HA 0.882 5.202 4.320 -0.000 0.000 0.311 38 A C -0.748 176.903 177.584 0.112 0.000 1.068 38 A CA -0.547 51.503 52.037 0.021 0.000 0.743 38 A CB 1.762 20.742 19.000 -0.033 0.000 1.258 38 A HN 0.758 nan 8.150 nan 0.000 0.429 39 A N 1.775 124.543 122.820 -0.086 0.000 2.293 39 A HA 0.714 5.034 4.320 -0.000 0.000 0.312 39 A C -1.241 176.006 177.584 -0.563 0.000 1.309 39 A CA -0.275 51.504 52.037 -0.430 0.000 0.839 39 A CB -0.150 18.453 19.000 -0.662 0.000 1.155 39 A HN 0.617 nan 8.150 nan 0.000 0.501 40 F N 1.611 121.371 119.950 -0.318 0.000 2.404 40 F HA 0.442 4.968 4.527 -0.000 0.000 0.354 40 F C 0.970 176.629 175.800 -0.235 0.000 1.122 40 F CA -0.314 57.539 58.000 -0.245 0.000 1.080 40 F CB 1.557 40.426 39.000 -0.219 0.000 1.131 40 F HN 0.604 nan 8.300 nan 0.000 0.471 41 R N 5.446 125.943 120.500 -0.006 0.000 2.242 41 R HA 0.384 4.724 4.340 -0.000 0.000 0.334 41 R C -0.824 175.493 176.300 0.029 0.000 1.071 41 R CA -0.179 55.924 56.100 0.006 0.000 0.922 41 R CB 0.415 30.720 30.300 0.009 0.000 1.023 41 R HN 0.825 nan 8.270 nan 0.000 0.458 42 M N 3.863 123.487 119.600 0.039 0.000 2.311 42 M HA 0.289 4.769 4.480 -0.000 0.000 0.325 42 M C -1.216 175.136 176.300 0.086 0.000 1.061 42 M CA -0.297 55.013 55.300 0.017 0.000 0.957 42 M CB 2.169 34.758 32.600 -0.018 0.000 1.646 42 M HN 0.436 nan 8.290 nan 0.000 0.434 43 T N 6.182 120.771 114.554 0.058 0.000 2.963 43 T HA 0.457 4.806 4.350 -0.000 0.000 0.343 43 T C -2.650 172.090 174.700 0.067 0.000 1.146 43 T CA -1.162 60.987 62.100 0.082 0.000 1.016 43 T CB 0.639 69.546 68.868 0.064 0.000 1.046 43 T HN 0.428 nan 8.240 nan 0.000 0.496 44 P HA 0.154 nan 4.420 nan 0.000 0.272 44 P C 0.132 177.460 177.300 0.045 0.000 1.223 44 P CA -0.601 62.524 63.100 0.041 0.000 0.784 44 P CB 0.583 32.299 31.700 0.027 0.000 0.923 45 Q N 2.011 121.829 119.800 0.030 0.000 2.421 45 Q HA 0.163 4.503 4.340 -0.000 0.000 0.255 45 Q C -1.993 174.025 176.000 0.029 0.000 1.013 45 Q CA -1.368 54.453 55.803 0.030 0.000 0.895 45 Q CB -0.709 28.046 28.738 0.027 0.000 1.271 45 Q HN 0.326 nan 8.270 nan 0.000 0.460 46 P HA -0.056 nan 4.420 nan 0.000 0.262 46 P C 0.519 177.831 177.300 0.019 0.000 1.182 46 P CA 1.192 64.307 63.100 0.025 0.000 0.761 46 P CB 0.220 31.932 31.700 0.021 0.000 0.795 47 G N 1.296 110.106 108.800 0.017 0.000 2.176 47 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.253 47 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.253 47 G C -0.030 174.872 174.900 0.004 0.000 0.979 47 G CA -0.124 44.982 45.100 0.010 0.000 0.641 47 G HN 0.534 nan 8.290 nan 0.000 0.530 48 V N 2.689 122.603 119.914 0.001 0.000 2.333 48 V HA 0.457 4.577 4.120 -0.000 0.000 0.274 48 V C -1.564 174.498 176.094 -0.053 0.000 1.028 48 V CA -1.571 60.720 62.300 -0.015 0.000 0.851 48 V CB 1.391 33.211 31.823 -0.005 0.000 1.000 48 V HN 0.139 nan 8.190 nan 0.000 0.456 49 P HA 0.187 nan 4.420 nan 0.000 0.269 49 P C -2.100 175.060 177.300 -0.233 0.000 1.209 49 P CA -1.294 61.723 63.100 -0.139 0.000 0.776 49 P CB 0.215 31.839 31.700 -0.126 0.000 0.876 50 P HA -0.184 nan 4.420 nan 0.000 0.218 50 P C 1.038 178.068 177.300 -0.450 0.000 1.148 50 P CA 1.486 64.245 63.100 -0.569 0.000 0.822 50 P CB 0.068 31.134 31.700 -1.058 0.000 0.784 51 E N -0.538 119.380 120.200 -0.471 0.000 2.106 51 E HA -0.200 4.149 4.350 -0.000 0.000 0.192 51 E C 2.010 178.369 176.600 -0.402 0.000 0.984 51 E CA 1.085 57.090 56.400 -0.659 0.000 0.806 51 E CB -0.600 28.594 29.700 -0.843 0.000 0.750 51 E HN 0.261 nan 8.360 nan 0.000 0.458 52 E N -0.066 119.991 120.200 -0.240 0.000 2.107 52 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 52 E C 1.819 178.354 176.600 -0.109 0.000 0.982 52 E CA 0.818 57.162 56.400 -0.093 0.000 0.809 52 E CB -0.472 29.210 29.700 -0.029 0.000 0.756 52 E HN 0.281 nan 8.360 nan 0.000 0.459 53 C N -0.400 118.797 119.300 -0.172 0.000 2.446 53 C HA 0.107 4.567 4.460 -0.000 0.000 0.277 53 C C 2.660 177.485 174.990 -0.276 0.000 1.275 53 C CA 1.292 60.186 59.018 -0.205 0.000 1.727 53 C CB -1.342 26.290 27.740 -0.180 0.000 2.010 53 C HN 0.644 nan 8.230 nan 0.000 0.486 54 G N -0.136 108.514 108.800 -0.251 0.000 2.422 54 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.218 54 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.218 54 G C 1.915 176.699 174.900 -0.194 0.000 1.146 54 G CA 1.041 46.010 45.100 -0.217 0.000 0.769 54 G HN 0.699 nan 8.290 nan 0.000 0.547 55 A N 0.998 123.738 122.820 -0.134 0.000 1.968 55 A HA 0.383 4.703 4.320 -0.000 0.000 0.217 55 A C 2.771 180.169 177.584 -0.311 0.000 1.169 55 A CA 1.939 53.951 52.037 -0.042 0.000 0.638 55 A CB -0.609 18.475 19.000 0.141 0.000 0.812 55 A HN 0.692 nan 8.150 nan 0.000 0.446 56 A N -0.446 122.056 122.820 -0.530 0.000 1.902 56 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 56 A C 2.208 179.199 177.584 -0.988 0.000 1.181 56 A CA 1.727 53.065 52.037 -1.165 0.000 0.623 56 A CB -0.883 17.547 19.000 -0.950 0.000 0.818 56 A HN 0.352 nan 8.150 nan 0.000 0.443 57 V N -0.120 119.360 119.914 -0.724 0.000 2.295 57 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 57 V C 3.065 178.848 176.094 -0.518 0.000 1.049 57 V CA 1.999 63.876 62.300 -0.705 0.000 1.024 57 V CB -1.220 30.134 31.823 -0.783 0.000 0.648 57 V HN 0.617 nan 8.190 nan 0.000 0.447 58 A N -0.177 122.403 122.820 -0.400 0.000 1.902 58 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 58 A C 2.404 179.771 177.584 -0.362 0.000 1.181 58 A CA 2.149 54.024 52.037 -0.269 0.000 0.623 58 A CB -0.747 18.169 19.000 -0.140 0.000 0.818 58 A HN 0.566 nan 8.150 nan 0.000 0.443 59 A N -0.479 121.914 122.820 -0.712 0.000 1.855 59 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 59 A C 1.846 179.100 177.584 -0.550 0.000 1.191 59 A CA 1.466 52.820 52.037 -1.137 0.000 0.613 59 A CB -0.386 17.800 19.000 -1.357 0.000 0.829 59 A HN 0.453 nan 8.150 nan 0.000 0.442 60 E N 0.404 120.294 120.200 -0.517 0.000 2.502 60 E HA -0.033 4.317 4.350 -0.000 0.000 0.194 60 E C 1.339 177.851 176.600 -0.147 0.000 1.062 60 E CA 0.879 57.103 56.400 -0.293 0.000 0.867 60 E CB -0.048 29.379 29.700 -0.455 0.000 0.888 60 E HN 0.701 nan 8.360 nan 0.000 0.510 61 S N -0.942 114.685 115.700 -0.121 0.000 2.568 61 S HA 0.135 4.605 4.470 -0.000 0.000 0.232 61 S C 1.365 176.035 174.600 0.117 0.000 0.975 61 S CA 0.250 58.474 58.200 0.039 0.000 0.949 61 S CB 0.339 63.621 63.200 0.138 0.000 0.829 61 S HN 0.136 nan 8.310 nan 0.000 0.479 62 S N 1.395 117.124 115.700 0.048 0.000 4.207 62 S HA 0.178 4.647 4.470 -0.000 0.000 0.177 62 S C 1.360 175.975 174.600 0.025 0.000 0.981 62 S CA 0.612 58.858 58.200 0.077 0.000 1.097 62 S CB -0.178 63.121 63.200 0.165 0.000 1.525 62 S HN 0.549 nan 8.310 nan 0.000 0.686 63 T N -1.173 113.411 114.554 0.050 0.000 2.993 63 T HA 0.472 4.822 4.350 -0.000 0.000 0.260 63 T C 0.797 175.546 174.700 0.082 0.000 0.939 63 T CA 0.398 62.545 62.100 0.077 0.000 0.886 63 T CB 0.131 69.099 68.868 0.168 0.000 1.209 63 T HN 0.719 nan 8.240 nan 0.000 0.518 64 G N 0.344 109.156 108.800 0.021 0.000 2.434 64 G HA2 0.567 4.527 3.960 -0.000 0.000 0.330 64 G HA3 0.567 4.527 3.960 -0.000 0.000 0.330 64 G C -0.819 174.133 174.900 0.086 0.000 1.155 64 G CA -0.238 44.900 45.100 0.065 0.000 0.917 64 G HN 0.276 nan 8.290 nan 0.000 0.493 65 T N -0.945 113.692 114.554 0.137 0.000 2.645 65 T HA 0.426 4.776 4.350 -0.000 0.000 0.273 65 T C 0.705 175.541 174.700 0.227 0.000 0.960 65 T CA -0.459 61.768 62.100 0.211 0.000 1.051 65 T CB 0.763 69.710 68.868 0.131 0.000 1.366 65 T HN 0.673 nan 8.240 nan 0.000 0.536 66 W N 0.628 122.028 121.300 0.166 0.000 2.678 66 W HA 0.295 4.955 4.660 -0.000 0.000 0.256 66 W C 0.326 176.826 176.519 -0.031 0.000 1.280 66 W CA 0.395 57.800 57.345 0.100 0.000 1.345 66 W CB -1.041 28.496 29.460 0.128 0.000 1.118 66 W HN 0.525 nan 8.180 nan 0.000 0.629 67 T N 1.028 115.122 114.554 -0.767 0.000 2.896 67 T HA 0.330 4.680 4.350 -0.000 0.000 0.297 67 T C -0.434 174.043 174.700 -0.373 0.000 1.108 67 T CA -0.324 61.348 62.100 -0.712 0.000 1.004 67 T CB 1.846 69.920 68.868 -1.323 0.000 1.159 67 T HN -0.213 nan 8.240 nan 0.000 0.499 68 T N 2.818 117.263 114.554 -0.181 0.000 2.888 68 T HA 0.417 4.767 4.350 -0.000 0.000 0.301 68 T C 0.231 174.994 174.700 0.104 0.000 1.001 68 T CA -0.302 61.798 62.100 0.000 0.000 1.147 68 T CB 0.032 68.941 68.868 0.067 0.000 0.931 68 T HN 0.651 nan 8.240 nan 0.000 0.541 69 V N 3.245 123.179 119.914 0.035 0.000 2.513 69 V HA 0.464 4.584 4.120 -0.000 0.000 0.299 69 V C 1.256 177.197 176.094 -0.255 0.000 1.035 69 V CA -1.207 61.027 62.300 -0.110 0.000 0.889 69 V CB 1.298 32.974 31.823 -0.246 0.000 0.988 69 V HN 1.049 nan 8.190 nan 0.000 0.440 70 W N 2.686 123.534 121.300 -0.754 0.000 2.374 70 W HA -0.140 4.520 4.660 -0.000 0.000 0.288 70 W C 1.491 177.773 176.519 -0.395 0.000 1.218 70 W CA 1.722 58.457 57.345 -1.016 0.000 1.245 70 W CB -1.691 26.895 29.460 -1.458 0.000 1.126 70 W HN 0.756 nan 8.180 nan 0.000 0.545 71 T N -0.946 112.981 114.554 -1.045 0.000 2.977 71 T HA -0.219 4.131 4.350 -0.000 0.000 0.271 71 T C 1.108 175.587 174.700 -0.368 0.000 1.105 71 T CA 1.608 63.144 62.100 -0.939 0.000 1.116 71 T CB -0.634 67.577 68.868 -1.094 0.000 0.878 71 T HN -0.054 nan 8.240 nan 0.000 0.509 72 D N 2.061 122.321 120.400 -0.233 0.000 2.158 72 D HA -0.050 4.589 4.640 -0.000 0.000 0.197 72 D C 2.324 178.606 176.300 -0.031 0.000 0.995 72 D CA 1.430 55.376 54.000 -0.090 0.000 0.846 72 D CB -0.903 39.880 40.800 -0.029 0.000 0.941 72 D HN 0.611 nan 8.370 nan 0.000 0.456 73 G N 0.036 108.837 108.800 0.002 0.000 2.534 73 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.217 73 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.217 73 G C 1.599 176.529 174.900 0.051 0.000 1.128 73 G CA 0.004 45.137 45.100 0.054 0.000 0.784 73 G HN 0.274 nan 8.290 nan 0.000 0.542 74 L N -0.293 120.946 121.223 0.026 0.000 2.418 74 L HA 0.162 4.502 4.340 -0.000 0.000 0.218 74 L C 1.696 178.579 176.870 0.022 0.000 1.125 74 L CA 0.488 55.346 54.840 0.030 0.000 0.835 74 L CB 0.024 42.087 42.059 0.006 0.000 0.953 74 L HN 0.226 nan 8.230 nan 0.000 0.454 75 T N -2.385 112.181 114.554 0.020 0.000 2.676 75 T HA 0.285 4.635 4.350 -0.000 0.000 0.269 75 T C -0.448 174.306 174.700 0.089 0.000 0.952 75 T CA -0.453 61.689 62.100 0.070 0.000 1.040 75 T CB 1.955 70.857 68.868 0.056 0.000 1.352 75 T HN -0.126 nan 8.240 nan 0.000 0.554 76 S N 1.660 117.454 115.700 0.156 0.000 2.577 76 S HA 0.351 4.821 4.470 -0.000 0.000 0.294 76 S C 0.906 175.558 174.600 0.087 0.000 1.161 76 S CA -0.698 57.543 58.200 0.067 0.000 1.143 76 S CB 0.202 63.393 63.200 -0.015 0.000 0.991 76 S HN 0.571 nan 8.310 nan 0.000 0.475 77 L N 4.131 125.387 121.223 0.055 0.000 2.079 77 L HA -0.021 4.319 4.340 -0.000 0.000 0.210 77 L C 1.816 178.665 176.870 -0.035 0.000 1.081 77 L CA 1.931 56.793 54.840 0.038 0.000 0.752 77 L CB -0.480 41.568 42.059 -0.019 0.000 0.896 77 L HN 0.598 nan 8.230 nan 0.000 0.433 78 D N -0.937 119.417 120.400 -0.075 0.000 2.158 78 D HA -0.252 4.387 4.640 -0.000 0.000 0.197 78 D C 2.306 178.521 176.300 -0.142 0.000 0.995 78 D CA 1.191 55.126 54.000 -0.109 0.000 0.846 78 D CB -0.087 40.661 40.800 -0.087 0.000 0.941 78 D HN 0.335 nan 8.370 nan 0.000 0.456 79 R N -0.986 119.387 120.500 -0.212 0.000 2.119 79 R HA -0.103 4.237 4.340 -0.000 0.000 0.222 79 R C 1.391 177.426 176.300 -0.442 0.000 1.088 79 R CA 0.995 56.850 56.100 -0.408 0.000 0.984 79 R CB 0.070 29.951 30.300 -0.698 0.000 0.884 79 R HN 0.214 nan 8.270 nan 0.000 0.447 80 Y N 0.447 120.727 120.300 -0.033 0.000 2.483 80 Y HA 0.155 4.705 4.550 -0.000 0.000 0.258 80 Y C 0.085 175.977 175.900 -0.013 0.000 1.083 80 Y CA -0.278 57.806 58.100 -0.026 0.000 1.283 80 Y CB 0.203 38.647 38.460 -0.028 0.000 1.178 80 Y HN -0.070 nan 8.280 nan 0.000 0.515 81 K N 1.310 121.776 120.400 0.110 0.000 2.448 81 K HA 0.286 4.605 4.320 -0.000 0.000 0.278 81 K C 0.602 177.234 176.600 0.052 0.000 1.009 81 K CA 0.200 56.563 56.287 0.127 0.000 0.995 81 K CB 0.551 33.058 32.500 0.012 0.000 0.917 81 K HN 0.148 nan 8.250 nan 0.000 0.481 82 G N 2.793 111.652 108.800 0.097 0.000 2.483 82 G HA2 0.213 4.173 3.960 -0.000 0.000 0.248 82 G HA3 0.213 4.173 3.960 -0.000 0.000 0.248 82 G C -0.791 174.072 174.900 -0.061 0.000 1.248 82 G CA -0.880 44.154 45.100 -0.109 0.000 0.838 82 G HN 0.662 nan 8.290 nan 0.000 0.566 83 R N 0.368 120.755 120.500 -0.190 0.000 2.502 83 R HA 0.287 4.627 4.340 -0.000 0.000 0.300 83 R C -0.981 175.331 176.300 0.020 0.000 0.984 83 R CA -0.634 55.397 56.100 -0.115 0.000 0.882 83 R CB 1.812 31.882 30.300 -0.384 0.000 1.180 83 R HN 0.535 nan 8.270 nan 0.000 0.444 84 C N 5.197 124.544 119.300 0.077 0.000 2.442 84 C HA 0.226 4.686 4.460 -0.000 0.000 0.362 84 C C 1.005 176.090 174.990 0.159 0.000 1.242 84 C CA -0.408 58.684 59.018 0.122 0.000 1.741 84 C CB -1.124 26.715 27.740 0.164 0.000 2.378 84 C HN 0.993 nan 8.230 nan 0.000 0.549 85 Y N 2.031 122.409 120.300 0.129 0.000 2.445 85 Y HA 0.530 5.080 4.550 -0.000 0.000 0.247 85 Y C 0.220 176.186 175.900 0.110 0.000 1.129 85 Y CA -0.417 57.731 58.100 0.081 0.000 1.251 85 Y CB 0.036 38.602 38.460 0.178 0.000 1.176 85 Y HN 0.516 nan 8.280 nan 0.000 0.522 86 D N 0.513 120.844 120.400 -0.115 0.000 2.803 86 D HA 0.468 5.108 4.640 -0.000 0.000 0.218 86 D C -1.667 174.748 176.300 0.190 0.000 1.245 86 D CA -0.383 53.639 54.000 0.036 0.000 0.821 86 D CB 2.053 42.783 40.800 -0.117 0.000 1.626 86 D HN 0.175 nan 8.370 nan 0.000 0.487 87 I N 2.222 122.926 120.570 0.222 0.000 2.478 87 I HA 0.295 4.464 4.170 -0.000 0.000 0.287 87 I C -0.368 175.885 176.117 0.227 0.000 1.042 87 I CA -0.618 60.805 61.300 0.204 0.000 1.067 87 I CB 2.000 40.051 38.000 0.085 0.000 1.233 87 I HN 0.135 nan 8.210 nan 0.000 0.431 88 E N 7.657 128.021 120.200 0.273 0.000 2.179 88 E HA 0.391 4.741 4.350 -0.000 0.000 0.275 88 E C -2.445 174.298 176.600 0.239 0.000 0.945 88 E CA -1.887 54.656 56.400 0.238 0.000 0.792 88 E CB 1.666 31.518 29.700 0.254 0.000 1.125 88 E HN 0.261 nan 8.360 nan 0.000 0.397 89 P HA 0.032 nan 4.420 nan 0.000 0.275 89 P C -0.438 176.851 177.300 -0.018 0.000 1.228 89 P CA -0.290 62.843 63.100 0.056 0.000 0.786 89 P CB 0.822 32.551 31.700 0.048 0.000 0.927 90 V N 4.866 124.706 119.914 -0.123 0.000 2.406 90 V HA 0.204 4.324 4.120 -0.000 0.000 0.272 90 V C -1.723 174.330 176.094 -0.067 0.000 1.043 90 V CA -1.755 60.505 62.300 -0.067 0.000 0.915 90 V CB 0.647 32.426 31.823 -0.072 0.000 0.988 90 V HN 0.576 nan 8.190 nan 0.000 0.466 91 P HA 0.211 nan 4.420 nan 0.000 0.267 91 P C 0.847 178.130 177.300 -0.028 0.000 1.209 91 P CA 0.957 64.040 63.100 -0.027 0.000 0.763 91 P CB 0.971 32.662 31.700 -0.016 0.000 0.816 92 G N 2.001 110.783 108.800 -0.030 0.000 2.194 92 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.236 92 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.236 92 G C -0.136 174.744 174.900 -0.034 0.000 0.987 92 G CA -0.317 44.769 45.100 -0.024 0.000 0.635 92 G HN 0.566 nan 8.290 nan 0.000 0.520 93 E N 0.426 120.590 120.200 -0.060 0.000 2.187 93 E HA 0.466 4.816 4.350 -0.000 0.000 0.268 93 E C -0.054 176.476 176.600 -0.117 0.000 0.896 93 E CA -0.448 55.904 56.400 -0.080 0.000 0.766 93 E CB 1.550 31.192 29.700 -0.096 0.000 1.142 93 E HN 0.235 nan 8.360 nan 0.000 0.408 94 D N 0.947 121.293 120.400 -0.089 0.000 2.249 94 D HA -0.086 4.554 4.640 -0.000 0.000 0.205 94 D C 0.808 177.035 176.300 -0.122 0.000 0.962 94 D CA 0.702 54.653 54.000 -0.082 0.000 0.860 94 D CB 0.239 41.019 40.800 -0.033 0.000 0.955 94 D HN 0.182 nan 8.370 nan 0.000 0.505 95 N N -0.146 118.471 118.700 -0.138 0.000 2.466 95 N HA 0.101 4.841 4.740 -0.000 0.000 0.272 95 N C -1.247 174.164 175.510 -0.165 0.000 1.455 95 N CA -0.085 52.903 53.050 -0.104 0.000 0.875 95 N CB 0.430 38.926 38.487 0.015 0.000 1.372 95 N HN -0.038 nan 8.380 nan 0.000 0.492 96 Q N 0.235 119.811 119.800 -0.374 0.000 2.342 96 Q HA 0.427 4.767 4.340 -0.000 0.000 0.267 96 Q C -1.446 174.217 176.000 -0.561 0.000 1.038 96 Q CA -0.668 54.968 55.803 -0.278 0.000 0.832 96 Q CB 1.882 30.541 28.738 -0.130 0.000 1.323 96 Q HN 0.231 nan 8.270 nan 0.000 0.448 97 Y N 1.039 121.337 120.300 -0.003 0.000 2.524 97 Y HA 0.398 4.948 4.550 -0.000 0.000 0.347 97 Y C -0.435 175.454 175.900 -0.018 0.000 1.005 97 Y CA -1.121 56.977 58.100 -0.003 0.000 1.025 97 Y CB 1.396 39.845 38.460 -0.017 0.000 1.275 97 Y HN 0.416 nan 8.280 nan 0.000 0.460 98 I N 2.847 123.499 120.570 0.136 0.000 2.301 98 I HA 0.435 4.605 4.170 -0.000 0.000 0.292 98 I C 0.192 176.280 176.117 -0.048 0.000 1.046 98 I CA -0.620 60.671 61.300 -0.016 0.000 1.282 98 I CB 0.274 38.247 38.000 -0.045 0.000 1.409 98 I HN 0.691 nan 8.210 nan 0.000 0.484 99 A N 7.468 130.233 122.820 -0.091 0.000 2.276 99 A HA 0.627 4.947 4.320 -0.000 0.000 0.316 99 A C -1.182 176.315 177.584 -0.145 0.000 1.229 99 A CA -0.357 51.653 52.037 -0.046 0.000 0.851 99 A CB 0.316 19.302 19.000 -0.023 0.000 1.165 99 A HN 0.542 nan 8.150 nan 0.000 0.513 100 Y N 1.694 121.937 120.300 -0.095 0.000 2.331 100 Y HA 0.476 5.026 4.550 -0.000 0.000 0.338 100 Y C 0.059 175.794 175.900 -0.275 0.000 0.976 100 Y CA -0.375 57.599 58.100 -0.211 0.000 1.137 100 Y CB 1.893 39.998 38.460 -0.591 0.000 1.172 100 Y HN 0.401 nan 8.280 nan 0.000 0.478 101 V N 3.208 123.230 119.914 0.181 0.000 2.555 101 V HA 0.790 4.910 4.120 -0.000 0.000 0.302 101 V C -0.287 175.926 176.094 0.198 0.000 1.038 101 V CA -1.033 61.342 62.300 0.125 0.000 0.887 101 V CB 1.602 33.437 31.823 0.020 0.000 0.991 101 V HN 0.838 nan 8.190 nan 0.000 0.434 102 A N 4.308 127.215 122.820 0.145 0.000 2.288 102 A HA 0.869 5.189 4.320 -0.000 0.000 0.320 102 A C -1.245 176.224 177.584 -0.192 0.000 1.217 102 A CA -0.332 51.748 52.037 0.071 0.000 0.840 102 A CB 0.518 19.599 19.000 0.134 0.000 1.179 102 A HN 0.722 nan 8.150 nan 0.000 0.504 106 D N 1.579 122.065 120.400 0.143 0.000 2.309 106 D HA -0.018 4.622 4.640 -0.000 0.000 0.212 106 D C 2.040 178.376 176.300 0.059 0.000 0.968 106 D CA 1.166 55.251 54.000 0.143 0.000 0.882 106 D CB 0.068 41.012 40.800 0.240 0.000 0.918 106 D HN 0.425 nan 8.370 nan 0.000 0.503 107 L N -0.831 120.340 121.223 -0.086 0.000 2.376 107 L HA 0.006 4.346 4.340 -0.000 0.000 0.219 107 L C 0.185 176.711 176.870 -0.573 0.000 1.133 107 L CA 0.371 54.962 54.840 -0.415 0.000 0.816 107 L CB -0.113 41.525 42.059 -0.702 0.000 0.933 107 L HN -0.093 nan 8.230 nan 0.000 0.449 108 F N -0.439 119.473 119.950 -0.064 0.000 2.480 108 F HA 0.298 4.825 4.527 -0.000 0.000 0.329 108 F C 0.640 176.472 175.800 0.053 0.000 1.091 108 F CA -1.140 56.820 58.000 -0.067 0.000 0.972 108 F CB 1.040 39.834 39.000 -0.342 0.000 1.150 108 F HN -0.193 nan 8.300 nan 0.000 0.467 109 E N 1.797 122.161 120.200 0.273 0.000 2.290 109 E HA 0.118 4.468 4.350 -0.000 0.000 0.277 109 E C -0.781 175.956 176.600 0.228 0.000 1.035 109 E CA -0.569 55.944 56.400 0.187 0.000 0.873 109 E CB 0.522 30.286 29.700 0.108 0.000 1.029 109 E HN 0.494 nan 8.360 nan 0.000 0.419 110 E N 2.670 122.945 120.200 0.126 0.000 2.529 110 E HA 0.125 4.475 4.350 -0.000 0.000 0.259 110 E C 0.924 177.296 176.600 -0.379 0.000 0.966 110 E CA 1.395 57.758 56.400 -0.062 0.000 0.937 110 E CB 0.429 30.095 29.700 -0.056 0.000 0.923 110 E HN 0.817 nan 8.360 nan 0.000 0.468 111 G N 2.576 110.737 108.800 -1.065 0.000 2.168 111 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.263 111 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.263 111 G C 0.342 174.795 174.900 -0.746 0.000 0.977 111 G CA 0.425 44.680 45.100 -1.408 0.000 0.659 111 G HN 0.575 nan 8.290 nan 0.000 0.533 112 S N -0.317 115.188 115.700 -0.326 0.000 2.577 112 S HA 0.537 5.007 4.470 -0.000 0.000 0.294 112 S C 1.540 176.314 174.600 0.290 0.000 1.161 112 S CA 0.130 58.378 58.200 0.079 0.000 1.143 112 S CB 1.191 64.440 63.200 0.081 0.000 0.991 112 S HN 0.577 nan 8.310 nan 0.000 0.475 113 V N 4.802 124.884 119.914 0.279 0.000 2.407 113 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 113 V C 2.597 178.623 176.094 -0.113 0.000 1.055 113 V CA 2.471 64.757 62.300 -0.025 0.000 1.049 113 V CB -1.096 30.422 31.823 -0.507 0.000 0.662 113 V HN 0.833 nan 8.190 nan 0.000 0.455 114 T N 0.138 114.666 114.554 -0.044 0.000 2.653 114 T HA -0.285 4.064 4.350 -0.000 0.000 0.268 114 T C 1.920 176.705 174.700 0.143 0.000 1.035 114 T CA 2.069 64.201 62.100 0.053 0.000 1.154 114 T CB -0.510 68.421 68.868 0.106 0.000 0.862 114 T HN 0.584 nan 8.240 nan 0.000 0.441 115 N N 0.413 119.216 118.700 0.172 0.000 2.142 115 N HA -0.070 4.670 4.740 -0.000 0.000 0.186 115 N C 2.112 177.796 175.510 0.290 0.000 1.023 115 N CA 1.121 54.293 53.050 0.204 0.000 0.852 115 N CB -0.219 38.389 38.487 0.202 0.000 0.998 115 N HN 0.398 nan 8.380 nan 0.000 0.424 116 M N -0.183 119.638 119.600 0.368 0.000 2.065 116 M HA -0.191 4.289 4.480 -0.000 0.000 0.259 116 M C 1.631 178.089 176.300 0.263 0.000 1.069 116 M CA 1.648 57.166 55.300 0.363 0.000 1.110 116 M CB -0.207 32.528 32.600 0.225 0.000 1.328 116 M HN 0.039 nan 8.290 nan 0.000 0.405 117 F N 0.463 120.419 119.950 0.009 0.000 2.126 117 F HA -0.196 4.331 4.527 -0.000 0.000 0.299 117 F C 2.530 178.359 175.800 0.050 0.000 1.096 117 F CA 1.925 59.927 58.000 0.003 0.000 1.255 117 F CB -1.273 37.711 39.000 -0.026 0.000 0.997 117 F HN 0.201 nan 8.300 nan 0.000 0.479 118 T N -1.233 113.467 114.554 0.244 0.000 2.720 118 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 118 T C 2.333 177.097 174.700 0.106 0.000 1.037 118 T CA 1.698 63.892 62.100 0.157 0.000 1.144 118 T CB -0.473 68.470 68.868 0.126 0.000 0.864 118 T HN 0.158 nan 8.240 nan 0.000 0.444 119 S N 0.793 116.542 115.700 0.082 0.000 2.335 119 S HA 0.075 4.545 4.470 -0.000 0.000 0.216 119 S C 2.079 176.689 174.600 0.018 0.000 1.032 119 S CA 0.845 59.051 58.200 0.009 0.000 1.000 119 S CB -0.359 62.780 63.200 -0.102 0.000 0.928 119 S HN 0.395 nan 8.310 nan 0.000 0.434 120 I N 1.490 122.047 120.570 -0.021 0.000 2.286 120 I HA -0.089 4.080 4.170 -0.000 0.000 0.248 120 I C 1.625 177.877 176.117 0.225 0.000 1.115 120 I CA 1.082 62.384 61.300 0.004 0.000 1.392 120 I CB -0.137 37.757 38.000 -0.176 0.000 1.065 120 I HN 0.265 nan 8.210 nan 0.000 0.418 121 V N -2.977 117.020 119.914 0.139 0.000 3.159 121 V HA 0.472 4.592 4.120 -0.000 0.000 0.333 121 V C 1.560 177.763 176.094 0.181 0.000 1.424 121 V CA 0.254 62.695 62.300 0.235 0.000 1.125 121 V CB -0.350 31.416 31.823 -0.096 0.000 1.075 121 V HN 0.224 nan 8.190 nan 0.000 0.482 122 G N 1.786 110.688 108.800 0.170 0.000 2.453 122 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.215 122 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.215 122 G C 1.201 176.206 174.900 0.175 0.000 1.201 122 G CA 1.372 46.560 45.100 0.147 0.000 0.784 122 G HN 0.543 nan 8.290 nan 0.000 0.545 123 N N -0.544 118.281 118.700 0.209 0.000 2.360 123 N HA 0.004 4.744 4.740 -0.000 0.000 0.211 123 N C 2.253 177.978 175.510 0.358 0.000 1.147 123 N CA 0.873 54.077 53.050 0.256 0.000 0.866 123 N CB 0.403 39.046 38.487 0.261 0.000 1.206 123 N HN 0.268 nan 8.380 nan 0.000 0.478 124 V N -1.143 118.912 119.914 0.236 0.000 2.720 124 V HA -0.045 4.075 4.120 -0.000 0.000 0.256 124 V C 1.645 177.778 176.094 0.065 0.000 1.082 124 V CA 1.259 63.559 62.300 -0.000 0.000 1.101 124 V CB -1.177 30.418 31.823 -0.380 0.000 0.693 124 V HN -0.068 nan 8.190 nan 0.000 0.479 125 F N 2.420 122.426 119.950 0.092 0.000 2.502 125 F HA 0.295 4.822 4.527 -0.000 0.000 0.298 125 F C 2.333 178.259 175.800 0.211 0.000 1.111 125 F CA 1.147 59.225 58.000 0.130 0.000 1.445 125 F CB -0.605 38.456 39.000 0.101 0.000 1.081 125 F HN 0.337 nan 8.300 nan 0.000 0.558 126 G N -1.638 107.375 108.800 0.354 0.000 3.126 126 G HA2 0.032 3.992 3.960 -0.000 0.000 0.224 126 G HA3 0.032 3.992 3.960 -0.000 0.000 0.224 126 G C 0.143 175.124 174.900 0.135 0.000 1.142 126 G CA -0.220 45.008 45.100 0.212 0.000 0.759 126 G HN 0.013 nan 8.290 nan 0.000 0.550 127 F N 1.498 121.454 119.950 0.010 0.000 2.578 127 F HA 0.200 4.727 4.527 -0.000 0.000 0.381 127 F C 1.759 177.550 175.800 -0.016 0.000 1.069 127 F CA 0.092 58.079 58.000 -0.022 0.000 1.231 127 F CB 1.094 40.051 39.000 -0.072 0.000 1.086 127 F HN -0.049 nan 8.300 nan 0.000 0.564 128 K N 2.710 123.117 120.400 0.012 0.000 2.103 128 K HA -0.193 4.127 4.320 -0.000 0.000 0.207 128 K C 1.965 178.603 176.600 0.063 0.000 1.048 128 K CA 1.371 57.666 56.287 0.014 0.000 0.930 128 K CB -0.165 32.312 32.500 -0.038 0.000 0.716 128 K HN 0.720 nan 8.250 nan 0.000 0.444 129 A N 1.113 124.006 122.820 0.123 0.000 2.216 129 A HA -0.002 4.318 4.320 -0.000 0.000 0.214 129 A C 0.657 178.275 177.584 0.057 0.000 1.160 129 A CA 0.566 52.661 52.037 0.098 0.000 0.725 129 A CB -0.510 18.573 19.000 0.137 0.000 0.784 129 A HN 0.252 nan 8.150 nan 0.000 0.472 130 L N -5.893 115.368 121.223 0.063 0.000 2.370 130 L HA 0.673 5.013 4.340 -0.000 0.000 0.266 130 L C 0.470 177.369 176.870 0.048 0.000 1.002 130 L CA -0.788 54.070 54.840 0.030 0.000 0.818 130 L CB 1.479 43.524 42.059 -0.023 0.000 1.325 130 L HN -0.021 nan 8.230 nan 0.000 0.418 131 R N 1.550 122.077 120.500 0.045 0.000 2.189 131 R HA 0.663 5.003 4.340 -0.000 0.000 0.203 131 R C 0.037 176.378 176.300 0.069 0.000 1.012 131 R CA 0.716 56.843 56.100 0.045 0.000 1.015 131 R CB 0.403 30.725 30.300 0.037 0.000 0.938 131 R HN 0.851 nan 8.270 nan 0.000 0.472 132 A N 0.765 123.652 122.820 0.111 0.000 2.604 132 A HA 0.609 4.929 4.320 -0.000 0.000 0.295 132 A C -2.051 175.632 177.584 0.166 0.000 1.067 132 A CA -0.623 51.563 52.037 0.247 0.000 0.683 132 A CB 1.744 20.862 19.000 0.197 0.000 1.281 132 A HN 0.046 nan 8.150 nan 0.000 0.407 133 L N 0.679 122.014 121.223 0.186 0.000 2.526 133 L HA 0.748 5.088 4.340 -0.000 0.000 0.263 133 L C -0.715 176.087 176.870 -0.114 0.000 0.943 133 L CA -0.086 54.655 54.840 -0.165 0.000 0.859 133 L CB 1.927 43.615 42.059 -0.618 0.000 1.313 133 L HN 0.822 nan 8.230 nan 0.000 0.406 134 R N 4.051 124.569 120.500 0.030 0.000 2.532 134 R HA 0.540 4.880 4.340 -0.000 0.000 0.297 134 R C -1.688 174.704 176.300 0.153 0.000 0.984 134 R CA -0.940 55.255 56.100 0.159 0.000 0.884 134 R CB 1.728 32.094 30.300 0.110 0.000 1.182 134 R HN 0.668 nan 8.270 nan 0.000 0.442 135 L N 4.660 126.012 121.223 0.216 0.000 2.325 135 L HA 0.178 4.518 4.340 -0.000 0.000 0.284 135 L C 0.813 177.595 176.870 -0.147 0.000 1.089 135 L CA 0.650 55.429 54.840 -0.103 0.000 0.836 135 L CB 0.921 42.914 42.059 -0.111 0.000 1.184 135 L HN 0.690 nan 8.230 nan 0.000 0.444 136 E N 2.271 122.276 120.200 -0.324 0.000 2.140 136 E HA 0.089 4.439 4.350 -0.000 0.000 0.191 136 E C -0.195 176.193 176.600 -0.354 0.000 0.973 136 E CA 0.532 56.696 56.400 -0.393 0.000 0.829 136 E CB 0.389 29.571 29.700 -0.862 0.000 0.781 136 E HN 0.689 nan 8.360 nan 0.000 0.466 137 D N -1.137 119.057 120.400 -0.343 0.000 2.623 137 D HA 0.408 5.048 4.640 -0.000 0.000 0.241 137 D C -1.475 174.874 176.300 0.082 0.000 1.241 137 D CA -0.478 53.484 54.000 -0.064 0.000 0.788 137 D CB 1.499 42.305 40.800 0.010 0.000 1.413 137 D HN -0.155 nan 8.370 nan 0.000 0.429 138 L N 1.325 122.611 121.223 0.105 0.000 2.408 138 L HA 0.504 4.843 4.340 -0.000 0.000 0.268 138 L C -0.172 176.623 176.870 -0.124 0.000 0.986 138 L CA -0.908 53.898 54.840 -0.057 0.000 0.820 138 L CB 2.224 44.188 42.059 -0.158 0.000 1.303 138 L HN 0.172 nan 8.230 nan 0.000 0.411 139 R N 4.279 124.477 120.500 -0.503 0.000 2.205 139 R HA 0.359 4.699 4.340 -0.000 0.000 0.342 139 R C -0.902 175.190 176.300 -0.347 0.000 1.058 139 R CA -0.617 55.206 56.100 -0.462 0.000 0.904 139 R CB 0.413 30.282 30.300 -0.718 0.000 1.089 139 R HN 0.426 nan 8.270 nan 0.000 0.471 140 I N 7.741 128.114 120.570 -0.329 0.000 2.301 140 I HA 0.260 4.430 4.170 -0.000 0.000 0.292 140 I C -1.950 174.022 176.117 -0.243 0.000 1.046 140 I CA -2.857 58.280 61.300 -0.271 0.000 1.282 140 I CB 0.861 38.670 38.000 -0.318 0.000 1.409 140 I HN 0.248 nan 8.210 nan 0.000 0.484 141 P HA 0.237 nan 4.420 nan 0.000 0.274 141 P C -2.225 175.059 177.300 -0.026 0.000 1.231 141 P CA -1.510 61.540 63.100 -0.083 0.000 0.790 141 P CB 0.426 32.104 31.700 -0.037 0.000 0.951 142 P HA -0.240 nan 4.420 nan 0.000 0.216 142 P C 1.481 178.825 177.300 0.073 0.000 1.154 142 P CA 2.405 65.521 63.100 0.027 0.000 0.865 142 P CB -0.518 31.203 31.700 0.036 0.000 0.789 143 A N -2.375 120.494 122.820 0.082 0.000 2.019 143 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 143 A C 2.187 179.887 177.584 0.194 0.000 1.164 143 A CA 1.364 53.468 52.037 0.112 0.000 0.644 143 A CB -1.576 17.481 19.000 0.094 0.000 0.805 143 A HN 0.163 nan 8.150 nan 0.000 0.449 144 Y N -0.167 120.163 120.300 0.050 0.000 2.301 144 Y HA 0.005 4.555 4.550 -0.000 0.000 0.295 144 Y C 2.369 178.412 175.900 0.239 0.000 1.119 144 Y CA 0.883 59.048 58.100 0.109 0.000 1.162 144 Y CB -0.264 38.221 38.460 0.041 0.000 1.046 144 Y HN 0.046 nan 8.280 nan 0.000 0.538 145 V N 0.847 120.841 119.914 0.133 0.000 2.282 145 V HA -0.359 3.761 4.120 -0.000 0.000 0.249 145 V C 2.266 178.473 176.094 0.189 0.000 1.057 145 V CA 2.182 64.550 62.300 0.113 0.000 1.032 145 V CB -0.574 31.301 31.823 0.085 0.000 0.645 145 V HN 0.247 nan 8.190 nan 0.000 0.447 146 K N 0.558 121.035 120.400 0.128 0.000 2.442 146 K HA -0.110 4.210 4.320 -0.000 0.000 0.198 146 K C 2.084 178.714 176.600 0.050 0.000 1.044 146 K CA 1.607 57.950 56.287 0.093 0.000 0.948 146 K CB -0.831 31.713 32.500 0.073 0.000 0.762 146 K HN 0.788 nan 8.250 nan 0.000 0.472 147 T N -2.223 112.331 114.554 -0.000 0.000 3.113 147 T HA 0.073 4.423 4.350 -0.000 0.000 0.256 147 T C 0.542 175.041 174.700 -0.335 0.000 1.131 147 T CA -0.123 61.865 62.100 -0.187 0.000 1.074 147 T CB -0.216 68.464 68.868 -0.314 0.000 0.944 147 T HN -0.151 nan 8.240 nan 0.000 0.516 148 F N 0.638 120.504 119.950 -0.139 0.000 2.421 148 F HA 0.522 5.049 4.527 -0.000 0.000 0.337 148 F C 1.385 177.144 175.800 -0.069 0.000 1.105 148 F CA -1.307 56.623 58.000 -0.117 0.000 1.049 148 F CB 1.544 40.463 39.000 -0.135 0.000 1.139 148 F HN -0.258 nan 8.300 nan 0.000 0.479 149 V N 2.319 122.286 119.914 0.090 0.000 2.295 149 V HA -0.020 4.100 4.120 -0.000 0.000 0.246 149 V C 1.391 177.511 176.094 0.044 0.000 1.049 149 V CA 1.589 63.913 62.300 0.040 0.000 1.024 149 V CB -1.379 30.447 31.823 0.006 0.000 0.648 149 V HN 1.163 nan 8.190 nan 0.000 0.447 153 H N -0.861 118.187 119.070 -0.035 0.000 1.855 153 H HA 0.479 5.034 4.556 -0.000 0.000 0.178 153 H C 1.028 176.347 175.328 -0.015 0.000 0.923 153 H CA 1.156 57.193 56.048 -0.019 0.000 0.993 153 H CB 0.515 30.270 29.762 -0.012 0.000 1.078 153 H HN 0.281 nan 8.280 nan 0.000 0.349 154 G N 1.212 110.070 108.800 0.096 0.000 2.746 154 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.685 154 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.685 154 G C 0.790 175.734 174.900 0.074 0.000 1.350 154 G CA -0.027 45.099 45.100 0.044 0.000 0.837 154 G HN 0.202 nan 8.290 nan 0.000 0.564 155 I N 0.284 120.883 120.570 0.048 0.000 2.127 155 I HA -0.247 3.923 4.170 -0.000 0.000 0.241 155 I C 2.997 179.162 176.117 0.081 0.000 1.075 155 I CA 2.423 63.760 61.300 0.061 0.000 1.334 155 I CB -0.363 37.660 38.000 0.040 0.000 1.040 155 I HN 0.672 nan 8.210 nan 0.000 0.405 156 Q N 0.105 119.952 119.800 0.079 0.000 2.061 156 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 156 Q C 2.310 178.376 176.000 0.110 0.000 0.984 156 Q CA 1.695 57.559 55.803 0.101 0.000 0.846 156 Q CB -0.401 28.387 28.738 0.084 0.000 0.902 156 Q HN 0.346 nan 8.270 nan 0.000 0.421 157 V N 0.673 120.646 119.914 0.098 0.000 2.427 157 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 157 V C 2.184 178.315 176.094 0.062 0.000 1.051 157 V CA 1.935 64.292 62.300 0.096 0.000 1.048 157 V CB -0.542 31.359 31.823 0.131 0.000 0.666 157 V HN 0.445 nan 8.190 nan 0.000 0.456 158 E N 0.495 120.737 120.200 0.070 0.000 2.038 158 E HA -0.262 4.087 4.350 -0.000 0.000 0.195 158 E C 2.465 179.085 176.600 0.034 0.000 1.000 158 E CA 1.518 57.948 56.400 0.050 0.000 0.803 158 E CB -0.118 29.651 29.700 0.114 0.000 0.750 158 E HN 0.494 nan 8.360 nan 0.000 0.448 159 R N 0.342 120.861 120.500 0.032 0.000 2.091 159 R HA -0.151 4.189 4.340 -0.000 0.000 0.238 159 R C 2.057 178.260 176.300 -0.163 0.000 1.136 159 R CA 1.624 57.671 56.100 -0.089 0.000 0.959 159 R CB -0.260 30.040 30.300 -0.000 0.000 0.856 159 R HN 0.318 nan 8.270 nan 0.000 0.437 160 D N 0.415 120.850 120.400 0.058 0.000 2.117 160 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 160 D C 1.715 178.043 176.300 0.046 0.000 0.987 160 D CA 1.253 55.335 54.000 0.138 0.000 0.829 160 D CB -0.007 40.888 40.800 0.159 0.000 0.961 160 D HN 0.220 nan 8.370 nan 0.000 0.460 161 K N 0.054 120.457 120.400 0.005 0.000 2.103 161 K HA 0.048 4.367 4.320 -0.000 0.000 0.204 161 K C 2.144 178.732 176.600 -0.020 0.000 1.052 161 K CA 0.434 56.714 56.287 -0.013 0.000 0.945 161 K CB 0.081 32.547 32.500 -0.056 0.000 0.722 161 K HN 0.153 nan 8.250 nan 0.000 0.443 162 L N 0.420 121.616 121.223 -0.046 0.000 2.418 162 L HA 0.001 4.341 4.340 -0.000 0.000 0.218 162 L C 0.643 177.434 176.870 -0.131 0.000 1.125 162 L CA 0.115 54.918 54.840 -0.062 0.000 0.835 162 L CB -0.445 41.589 42.059 -0.042 0.000 0.953 162 L HN 0.398 nan 8.230 nan 0.000 0.454 163 N N 1.304 119.882 118.700 -0.204 0.000 2.758 163 N HA -0.179 4.561 4.740 -0.000 0.000 0.248 163 N C -0.537 174.715 175.510 -0.431 0.000 1.076 163 N CA 0.374 53.279 53.050 -0.242 0.000 0.696 163 N CB -0.393 38.075 38.487 -0.031 0.000 0.979 163 N HN 0.370 nan 8.380 nan 0.000 0.550 164 K N 1.542 121.502 120.400 -0.732 0.000 2.450 164 K HA 0.387 4.707 4.320 -0.000 0.000 0.257 164 K C -1.454 174.748 176.600 -0.663 0.000 0.953 164 K CA -0.346 55.635 56.287 -0.510 0.000 0.844 164 K CB 1.048 33.383 32.500 -0.274 0.000 1.103 164 K HN 0.112 nan 8.250 nan 0.000 0.429 165 Y N -0.586 119.720 120.300 0.010 0.000 2.562 165 Y HA 0.442 4.992 4.550 -0.000 0.000 0.345 165 Y C 1.004 176.910 175.900 0.011 0.000 1.045 165 Y CA -0.756 57.352 58.100 0.014 0.000 1.028 165 Y CB 2.548 41.016 38.460 0.014 0.000 1.297 165 Y HN 0.754 nan 8.280 nan 0.000 0.463 166 G N 1.448 110.357 108.800 0.182 0.000 2.175 166 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.244 166 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.244 166 G C -0.244 174.697 174.900 0.069 0.000 0.982 166 G CA 0.096 45.261 45.100 0.108 0.000 0.641 166 G HN 0.901 nan 8.290 nan 0.000 0.527 167 R N -1.197 119.340 120.500 0.061 0.000 2.690 167 R HA 0.628 4.968 4.340 -0.000 0.000 0.269 167 R C 0.399 176.722 176.300 0.038 0.000 1.037 167 R CA -0.508 55.618 56.100 0.044 0.000 0.877 167 R CB 0.191 30.508 30.300 0.029 0.000 1.255 167 R HN 1.006 nan 8.270 nan 0.000 0.467 168 G N 1.549 110.374 108.800 0.041 0.000 2.559 168 G HA2 0.281 4.241 3.960 -0.000 0.000 0.235 168 G HA3 0.281 4.241 3.960 -0.000 0.000 0.235 168 G C -0.104 174.809 174.900 0.023 0.000 1.266 168 G CA -0.698 44.422 45.100 0.032 0.000 0.847 168 G HN 0.386 nan 8.290 nan 0.000 0.583 169 L N 0.287 121.523 121.223 0.022 0.000 2.399 169 L HA 0.422 4.762 4.340 -0.000 0.000 0.266 169 L C 0.237 177.149 176.870 0.070 0.000 1.114 169 L CA -0.486 54.377 54.840 0.039 0.000 0.804 169 L CB 1.051 43.189 42.059 0.132 0.000 1.146 169 L HN 0.232 nan 8.230 nan 0.000 0.451 170 L N 1.446 122.706 121.223 0.061 0.000 2.333 170 L HA 0.685 5.025 4.340 -0.000 0.000 0.280 170 L C 0.237 177.189 176.870 0.136 0.000 1.004 170 L CA -0.280 54.629 54.840 0.115 0.000 0.820 170 L CB 1.811 43.917 42.059 0.078 0.000 1.247 170 L HN 0.713 nan 8.230 nan 0.000 0.416 171 G N 0.887 109.785 108.800 0.164 0.000 3.042 171 G HA2 0.657 4.617 3.960 -0.000 0.000 0.278 171 G HA3 0.657 4.617 3.960 -0.000 0.000 0.278 171 G C -1.853 173.088 174.900 0.069 0.000 1.371 171 G CA -0.525 44.641 45.100 0.110 0.000 1.009 171 G HN 0.680 nan 8.290 nan 0.000 0.523 172 C N -0.227 119.058 119.300 -0.025 0.000 3.094 172 C HA 0.635 5.095 4.460 -0.000 0.000 0.414 172 C C -0.357 174.597 174.990 -0.061 0.000 0.993 172 C CA -0.483 58.535 59.018 -0.001 0.000 1.217 172 C CB 0.510 28.270 27.740 0.034 0.000 1.603 172 C HN 0.847 nan 8.230 nan 0.000 0.564 173 T N 7.095 121.637 114.554 -0.020 0.000 2.780 173 T HA 0.398 4.748 4.350 -0.000 0.000 0.294 173 T C 0.504 175.202 174.700 -0.004 0.000 0.949 173 T CA -0.274 61.822 62.100 -0.007 0.000 1.074 173 T CB 0.353 69.247 68.868 0.043 0.000 0.910 173 T HN 0.574 nan 8.240 nan 0.000 0.501 174 I N 4.109 124.662 120.570 -0.028 0.000 2.648 174 I HA 0.177 4.346 4.170 -0.000 0.000 0.284 174 I C 0.691 176.780 176.117 -0.047 0.000 1.153 174 I CA 0.224 61.446 61.300 -0.130 0.000 1.426 174 I CB -0.118 37.586 38.000 -0.493 0.000 1.381 174 I HN 0.452 nan 8.210 nan 0.000 0.571 175 K N 6.686 127.060 120.400 -0.045 0.000 2.435 175 K HA 0.561 4.880 4.320 -0.000 0.000 0.251 175 K C -2.423 174.177 176.600 0.000 0.000 0.954 175 K CA -1.580 54.713 56.287 0.011 0.000 0.820 175 K CB 1.799 34.319 32.500 0.034 0.000 1.292 175 K HN 0.301 nan 8.250 nan 0.000 0.436 176 P HA 0.158 nan 4.420 nan 0.000 0.270 176 P C 0.253 177.581 177.300 0.047 0.000 1.223 176 P CA -0.199 62.914 63.100 0.021 0.000 0.785 176 P CB 0.945 32.641 31.700 -0.007 0.000 0.923 177 K N 0.109 120.536 120.400 0.045 0.000 2.020 177 K HA -0.074 4.246 4.320 -0.000 0.000 0.212 177 K C 0.792 177.454 176.600 0.103 0.000 1.050 177 K CA 1.277 57.611 56.287 0.079 0.000 0.929 177 K CB -0.300 32.230 32.500 0.050 0.000 0.714 177 K HN 0.396 nan 8.250 nan 0.000 0.443 178 L N -1.999 119.216 121.223 -0.014 0.000 2.323 178 L HA 0.433 4.772 4.340 -0.000 0.000 0.265 178 L C 0.766 177.326 176.870 -0.517 0.000 1.012 178 L CA -0.356 54.358 54.840 -0.210 0.000 0.820 178 L CB 2.184 44.145 42.059 -0.164 0.000 1.334 178 L HN 0.473 nan 8.230 nan 0.000 0.427 179 G N 1.037 109.080 108.800 -1.262 0.000 2.231 179 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.206 179 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.206 179 G C -0.167 174.551 174.900 -0.303 0.000 0.996 179 G CA -0.602 43.985 45.100 -0.854 0.000 0.645 179 G HN 0.315 nan 8.290 nan 0.000 0.498 180 L N 2.548 123.743 121.223 -0.046 0.000 2.371 180 L HA 0.538 4.878 4.340 -0.000 0.000 0.272 180 L C 1.501 178.561 176.870 0.317 0.000 1.124 180 L CA -0.009 54.935 54.840 0.175 0.000 0.816 180 L CB 1.403 43.634 42.059 0.285 0.000 1.129 180 L HN 0.469 nan 8.230 nan 0.000 0.448 181 S N 1.791 117.620 115.700 0.216 0.000 2.614 181 S HA 0.272 4.742 4.470 -0.000 0.000 0.265 181 S C 1.080 175.785 174.600 0.175 0.000 1.303 181 S CA -0.154 58.158 58.200 0.186 0.000 1.000 181 S CB 1.552 64.804 63.200 0.088 0.000 0.935 181 S HN 0.708 nan 8.310 nan 0.000 0.551 182 A N 1.658 124.559 122.820 0.136 0.000 1.883 182 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 182 A C 2.129 179.716 177.584 0.005 0.000 1.186 182 A CA 2.153 54.297 52.037 0.178 0.000 0.624 182 A CB -1.141 18.050 19.000 0.318 0.000 0.822 182 A HN 0.969 nan 8.150 nan 0.000 0.444 183 K N 0.046 120.207 120.400 -0.399 0.000 2.026 183 K HA -0.158 4.161 4.320 -0.000 0.000 0.208 183 K C 1.691 178.112 176.600 -0.299 0.000 1.048 183 K CA 1.909 57.692 56.287 -0.841 0.000 0.929 183 K CB -0.279 31.735 32.500 -0.811 0.000 0.713 183 K HN 0.418 nan 8.250 nan 0.000 0.439 184 N N -0.461 118.176 118.700 -0.106 0.000 2.223 184 N HA -0.153 4.587 4.740 -0.000 0.000 0.185 184 N C 1.496 177.033 175.510 0.044 0.000 1.016 184 N CA 0.989 54.030 53.050 -0.015 0.000 0.863 184 N CB -0.306 38.194 38.487 0.021 0.000 0.983 184 N HN 0.267 nan 8.380 nan 0.000 0.429 185 Y N 1.171 121.466 120.300 -0.008 0.000 2.114 185 Y HA -0.112 4.438 4.550 -0.000 0.000 0.284 185 Y C 2.471 178.375 175.900 0.007 0.000 1.143 185 Y CA 1.905 60.024 58.100 0.032 0.000 1.135 185 Y CB -0.666 37.841 38.460 0.078 0.000 0.980 185 Y HN 0.069 nan 8.280 nan 0.000 0.499 186 G N -0.627 108.268 108.800 0.159 0.000 2.422 186 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 186 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 186 G C 1.736 176.684 174.900 0.080 0.000 1.140 186 G CA 0.810 45.975 45.100 0.108 0.000 0.775 186 G HN 0.346 nan 8.290 nan 0.000 0.545 187 R N 0.613 121.135 120.500 0.037 0.000 2.080 187 R HA -0.017 4.323 4.340 -0.000 0.000 0.236 187 R C 2.798 179.138 176.300 0.067 0.000 1.137 187 R CA 1.711 57.853 56.100 0.070 0.000 0.943 187 R CB -0.487 29.822 30.300 0.015 0.000 0.846 187 R HN 0.246 nan 8.270 nan 0.000 0.431 188 A N 0.360 123.174 122.820 -0.010 0.000 1.902 188 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 188 A C 2.311 179.865 177.584 -0.049 0.000 1.181 188 A CA 1.636 53.641 52.037 -0.054 0.000 0.623 188 A CB -0.553 18.365 19.000 -0.136 0.000 0.818 188 A HN 0.255 nan 8.150 nan 0.000 0.443 189 V N -1.150 118.742 119.914 -0.036 0.000 2.261 189 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 189 V C 2.370 178.493 176.094 0.048 0.000 1.047 189 V CA 2.147 64.449 62.300 0.004 0.000 1.015 189 V CB -1.061 30.748 31.823 -0.023 0.000 0.642 189 V HN 0.743 nan 8.190 nan 0.000 0.446 190 Y N 1.621 121.912 120.300 -0.016 0.000 2.081 190 Y HA -0.257 4.293 4.550 -0.000 0.000 0.280 190 Y C 2.562 178.459 175.900 -0.004 0.000 1.163 190 Y CA 2.087 60.185 58.100 -0.002 0.000 1.135 190 Y CB -0.442 38.023 38.460 0.008 0.000 0.970 190 Y HN 0.280 nan 8.280 nan 0.000 0.498 191 E N -0.387 119.596 120.200 -0.362 0.000 2.110 191 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 191 E C 2.491 178.932 176.600 -0.265 0.000 0.988 191 E CA 1.362 57.509 56.400 -0.421 0.000 0.804 191 E CB -0.908 28.684 29.700 -0.180 0.000 0.745 191 E HN 0.564 nan 8.360 nan 0.000 0.458 192 C N 0.663 119.871 119.300 -0.152 0.000 2.473 192 C HA -0.071 4.389 4.460 -0.000 0.000 0.279 192 C C 2.888 177.816 174.990 -0.103 0.000 1.250 192 C CA 0.353 59.313 59.018 -0.097 0.000 1.713 192 C CB -1.163 26.549 27.740 -0.046 0.000 2.066 192 C HN 0.367 nan 8.230 nan 0.000 0.474 193 L N 1.302 122.473 121.223 -0.087 0.000 2.042 193 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 193 L C 2.888 179.701 176.870 -0.094 0.000 1.076 193 L CA 1.962 56.763 54.840 -0.065 0.000 0.749 193 L CB -0.786 41.268 42.059 -0.008 0.000 0.893 193 L HN 0.500 nan 8.230 nan 0.000 0.432 194 R N 0.440 120.835 120.500 -0.174 0.000 2.237 194 R HA -0.058 4.282 4.340 -0.000 0.000 0.219 194 R C 1.931 178.153 176.300 -0.130 0.000 1.080 194 R CA 1.250 57.251 56.100 -0.166 0.000 0.995 194 R CB -0.646 29.448 30.300 -0.343 0.000 0.875 194 R HN 0.262 nan 8.270 nan 0.000 0.462 195 G N -0.592 108.124 108.800 -0.139 0.000 2.712 195 G HA2 0.226 4.185 3.960 -0.000 0.000 0.212 195 G HA3 0.226 4.185 3.960 -0.000 0.000 0.212 195 G C 0.926 175.777 174.900 -0.082 0.000 1.142 195 G CA 0.355 45.390 45.100 -0.109 0.000 0.789 195 G HN 0.576 nan 8.290 nan 0.000 0.535 196 G N -0.803 107.951 108.800 -0.076 0.000 2.613 196 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.199 196 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.199 196 G C 0.258 175.116 174.900 -0.070 0.000 0.991 196 G CA -0.434 44.628 45.100 -0.064 0.000 0.756 196 G HN 0.283 nan 8.290 nan 0.000 0.515 197 L N 1.692 122.873 121.223 -0.070 0.000 2.426 197 L HA 0.313 4.653 4.340 -0.000 0.000 0.271 197 L C 1.045 177.842 176.870 -0.122 0.000 1.169 197 L CA -0.571 54.229 54.840 -0.066 0.000 0.836 197 L CB 0.629 42.668 42.059 -0.033 0.000 1.112 197 L HN 0.027 nan 8.230 nan 0.000 0.465 198 D N 1.790 122.069 120.400 -0.201 0.000 2.162 198 D HA 0.006 4.646 4.640 -0.000 0.000 0.203 198 D C -0.076 175.890 176.300 -0.557 0.000 0.967 198 D CA 1.595 55.319 54.000 -0.460 0.000 0.840 198 D CB 0.252 40.638 40.800 -0.690 0.000 0.972 198 D HN 0.152 nan 8.370 nan 0.000 0.482 199 F N -0.235 119.684 119.950 -0.051 0.000 2.599 199 F HA 0.308 4.835 4.527 -0.000 0.000 0.311 199 F C 0.607 176.259 175.800 -0.246 0.000 1.076 199 F CA -1.040 56.865 58.000 -0.158 0.000 0.937 199 F CB 1.811 40.678 39.000 -0.221 0.000 1.282 199 F HN -0.336 nan 8.300 nan 0.000 0.460 203 D N 1.196 121.718 120.400 0.203 0.000 2.400 203 D HA -0.023 4.617 4.640 -0.000 0.000 0.238 203 D C 1.572 177.854 176.300 -0.031 0.000 1.157 203 D CA 0.063 54.109 54.000 0.078 0.000 0.889 203 D CB 1.045 41.908 40.800 0.105 0.000 1.199 203 D HN 0.412 nan 8.370 nan 0.000 0.436 204 E N 2.578 122.633 120.200 -0.242 0.000 2.147 204 E HA -0.287 4.063 4.350 -0.000 0.000 0.199 204 E C 0.698 177.194 176.600 -0.174 0.000 1.005 204 E CA 1.392 57.543 56.400 -0.416 0.000 0.810 204 E CB -0.406 28.702 29.700 -0.986 0.000 0.736 204 E HN 0.516 nan 8.360 nan 0.000 0.460 205 N N 0.903 119.554 118.700 -0.083 0.000 2.280 205 N HA 0.011 4.751 4.740 -0.000 0.000 0.192 205 N C 0.062 175.604 175.510 0.054 0.000 1.109 205 N CA -0.057 52.985 53.050 -0.014 0.000 0.855 205 N CB 0.136 38.627 38.487 0.006 0.000 0.974 205 N HN -0.038 nan 8.380 nan 0.000 0.482 206 V N 1.963 121.922 119.914 0.075 0.000 2.387 206 V HA 0.158 4.278 4.120 -0.000 0.000 0.260 206 V C 0.314 176.446 176.094 0.064 0.000 1.054 206 V CA -0.101 62.263 62.300 0.107 0.000 0.967 206 V CB -0.532 31.368 31.823 0.129 0.000 1.036 206 V HN 0.313 nan 8.190 nan 0.000 0.481 207 N N 2.584 121.305 118.700 0.034 0.000 3.039 207 N HA 0.253 4.992 4.740 -0.000 0.000 0.188 207 N C -0.186 175.341 175.510 0.028 0.000 1.310 207 N CA -0.345 52.719 53.050 0.024 0.000 1.111 207 N CB 0.600 39.080 38.487 -0.012 0.000 1.311 207 N HN 0.501 nan 8.380 nan 0.000 0.490 208 S N 0.202 115.894 115.700 -0.013 0.000 2.677 208 S HA 0.458 4.928 4.470 -0.000 0.000 0.283 208 S C -1.786 172.728 174.600 -0.142 0.000 1.159 208 S CA -0.408 57.783 58.200 -0.015 0.000 1.001 208 S CB 1.265 64.573 63.200 0.180 0.000 1.032 208 S HN 0.257 nan 8.310 nan 0.000 0.487 209 Q N 3.308 122.903 119.800 -0.342 0.000 2.495 209 Q HA 0.484 4.823 4.340 -0.000 0.000 0.287 209 Q C -2.085 173.646 176.000 -0.448 0.000 1.078 209 Q CA -1.833 53.693 55.803 -0.462 0.000 0.793 209 Q CB 1.773 30.009 28.738 -0.837 0.000 1.459 209 Q HN 0.269 nan 8.270 nan 0.000 0.422 210 P HA -0.198 nan 4.420 nan 0.000 0.217 210 P C 0.552 177.811 177.300 -0.069 0.000 1.151 210 P CA 1.437 64.477 63.100 -0.100 0.000 0.849 210 P CB 0.040 31.750 31.700 0.016 0.000 0.787 211 F N -2.749 117.212 119.950 0.018 0.000 2.558 211 F HA 0.287 4.814 4.527 -0.000 0.000 0.298 211 F C 0.967 176.781 175.800 0.023 0.000 1.119 211 F CA 0.121 58.135 58.000 0.023 0.000 1.451 211 F CB -0.499 38.520 39.000 0.031 0.000 1.091 211 F HN -0.190 nan 8.300 nan 0.000 0.563 212 M N 1.382 120.749 119.600 -0.387 0.000 2.331 212 M HA 0.332 4.812 4.480 -0.000 0.000 0.228 212 M C -1.466 174.671 176.300 -0.272 0.000 0.986 212 M CA -0.520 54.659 55.300 -0.202 0.000 0.972 212 M CB 1.000 33.576 32.600 -0.040 0.000 2.359 212 M HN -0.197 nan 8.290 nan 0.000 0.459 213 R N 3.770 124.169 120.500 -0.168 0.000 2.490 213 R HA 0.259 4.599 4.340 -0.000 0.000 0.278 213 R C 1.079 177.277 176.300 -0.170 0.000 1.069 213 R CA -0.214 55.778 56.100 -0.180 0.000 1.080 213 R CB 0.583 30.751 30.300 -0.219 0.000 1.030 213 R HN 0.951 nan 8.270 nan 0.000 0.491 214 W N 4.251 125.432 121.300 -0.198 0.000 2.338 214 W HA -0.177 4.482 4.660 -0.000 0.000 0.304 214 W C 1.116 177.435 176.519 -0.333 0.000 1.212 214 W CA 0.794 57.987 57.345 -0.253 0.000 1.264 214 W CB -0.429 28.806 29.460 -0.375 0.000 1.142 214 W HN 0.555 nan 8.180 nan 0.000 0.512 215 R N 0.979 120.718 120.500 -1.269 0.000 2.090 215 R HA -0.123 4.216 4.340 -0.000 0.000 0.228 215 R C 1.885 177.925 176.300 -0.434 0.000 1.110 215 R CA 1.857 57.249 56.100 -1.180 0.000 0.973 215 R CB -0.368 29.018 30.300 -1.522 0.000 0.869 215 R HN -0.038 nan 8.270 nan 0.000 0.440 216 D N 0.146 120.348 120.400 -0.330 0.000 2.104 216 D HA -0.227 4.413 4.640 -0.000 0.000 0.194 216 D C 1.852 178.200 176.300 0.080 0.000 0.994 216 D CA 1.210 55.138 54.000 -0.120 0.000 0.830 216 D CB -0.231 40.562 40.800 -0.011 0.000 0.959 216 D HN 0.248 nan 8.370 nan 0.000 0.452 217 R N -0.328 120.255 120.500 0.139 0.000 2.081 217 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 217 R C 2.280 178.781 176.300 0.334 0.000 1.131 217 R CA 0.999 57.249 56.100 0.250 0.000 0.960 217 R CB -0.331 30.065 30.300 0.160 0.000 0.856 217 R HN 0.037 nan 8.270 nan 0.000 0.436 218 F N 1.117 121.103 119.950 0.060 0.000 2.126 218 F HA -0.185 4.342 4.527 -0.000 0.000 0.299 218 F C 2.235 178.045 175.800 0.017 0.000 1.096 218 F CA 1.019 59.070 58.000 0.085 0.000 1.255 218 F CB -0.734 38.370 39.000 0.174 0.000 0.997 218 F HN 0.053 nan 8.300 nan 0.000 0.479 219 L N -1.788 119.508 121.223 0.122 0.000 2.027 219 L HA -0.245 4.095 4.340 -0.000 0.000 0.206 219 L C 2.488 179.313 176.870 -0.074 0.000 1.074 219 L CA 1.342 56.148 54.840 -0.057 0.000 0.745 219 L CB -0.583 41.320 42.059 -0.260 0.000 0.898 219 L HN 0.041 nan 8.230 nan 0.000 0.433 220 F N -0.947 119.036 119.950 0.055 0.000 2.186 220 F HA -0.169 4.357 4.527 -0.000 0.000 0.299 220 F C 2.368 178.178 175.800 0.017 0.000 1.090 220 F CA 0.899 58.922 58.000 0.039 0.000 1.307 220 F CB -0.889 38.141 39.000 0.051 0.000 1.019 220 F HN -0.203 nan 8.300 nan 0.000 0.489 221 V N -0.148 119.867 119.914 0.168 0.000 2.343 221 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 221 V C 2.594 178.659 176.094 -0.048 0.000 1.051 221 V CA 1.688 63.983 62.300 -0.009 0.000 1.036 221 V CB -1.321 30.390 31.823 -0.186 0.000 0.654 221 V HN 0.344 nan 8.190 nan 0.000 0.451 222 A N -0.450 122.349 122.820 -0.035 0.000 1.883 222 A HA -0.310 4.010 4.320 -0.000 0.000 0.217 222 A C 2.287 179.837 177.584 -0.058 0.000 1.186 222 A CA 2.159 54.125 52.037 -0.118 0.000 0.624 222 A CB -0.593 18.416 19.000 0.015 0.000 0.822 222 A HN 0.622 nan 8.150 nan 0.000 0.444 223 E N -0.254 119.991 120.200 0.076 0.000 2.085 223 E HA -0.184 4.165 4.350 -0.000 0.000 0.194 223 E C 2.152 178.800 176.600 0.079 0.000 0.994 223 E CA 1.171 57.644 56.400 0.122 0.000 0.801 223 E CB -0.254 29.524 29.700 0.129 0.000 0.743 223 E HN 0.561 nan 8.360 nan 0.000 0.453 224 A N 0.914 123.772 122.820 0.064 0.000 1.898 224 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 224 A C 2.150 179.788 177.584 0.090 0.000 1.181 224 A CA 1.246 53.340 52.037 0.094 0.000 0.620 224 A CB -0.583 18.487 19.000 0.117 0.000 0.819 224 A HN 0.304 nan 8.150 nan 0.000 0.442 225 I N -1.646 118.904 120.570 -0.034 0.000 2.127 225 I HA -0.310 3.860 4.170 -0.000 0.000 0.241 225 I C 2.389 178.486 176.117 -0.032 0.000 1.075 225 I CA 1.627 62.868 61.300 -0.097 0.000 1.334 225 I CB -0.507 37.310 38.000 -0.305 0.000 1.040 225 I HN 0.389 nan 8.210 nan 0.000 0.405 226 Y N 0.761 121.103 120.300 0.069 0.000 2.293 226 Y HA -0.218 4.332 4.550 -0.000 0.000 0.291 226 Y C 2.519 178.447 175.900 0.047 0.000 1.137 226 Y CA 1.093 59.223 58.100 0.050 0.000 1.202 226 Y CB -0.775 37.706 38.460 0.035 0.000 0.990 226 Y HN 0.128 nan 8.280 nan 0.000 0.537 227 K N 0.223 120.727 120.400 0.174 0.000 2.026 227 K HA -0.143 4.176 4.320 -0.000 0.000 0.208 227 K C 2.325 179.043 176.600 0.197 0.000 1.048 227 K CA 1.263 57.606 56.287 0.093 0.000 0.929 227 K CB -0.289 32.135 32.500 -0.126 0.000 0.713 227 K HN 0.203 nan 8.250 nan 0.000 0.439 228 A N 0.901 123.888 122.820 0.278 0.000 1.930 228 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 228 A C 2.076 179.741 177.584 0.136 0.000 1.175 228 A CA 1.594 53.778 52.037 0.246 0.000 0.627 228 A CB -0.561 18.549 19.000 0.183 0.000 0.815 228 A HN 0.564 nan 8.150 nan 0.000 0.443 229 Q N -0.563 119.314 119.800 0.129 0.000 2.079 229 Q HA -0.097 4.243 4.340 -0.000 0.000 0.200 229 Q C 2.190 178.248 176.000 0.098 0.000 0.974 229 Q CA 1.508 57.375 55.803 0.106 0.000 0.840 229 Q CB -0.331 28.495 28.738 0.146 0.000 0.898 229 Q HN 0.602 nan 8.270 nan 0.000 0.430 230 A N 0.690 123.577 122.820 0.113 0.000 1.933 230 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 230 A C 1.877 179.505 177.584 0.074 0.000 1.175 230 A CA 1.646 53.733 52.037 0.082 0.000 0.628 230 A CB -0.626 18.419 19.000 0.075 0.000 0.814 230 A HN 0.609 nan 8.150 nan 0.000 0.444 231 E N -0.470 119.788 120.200 0.097 0.000 2.072 231 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 231 E C 1.984 178.622 176.600 0.063 0.000 0.985 231 E CA 1.755 58.211 56.400 0.093 0.000 0.801 231 E CB -0.051 29.740 29.700 0.152 0.000 0.750 231 E HN 0.730 nan 8.360 nan 0.000 0.452 232 T N -4.015 110.572 114.554 0.055 0.000 3.037 232 T HA 0.245 4.594 4.350 -0.000 0.000 0.252 232 T C 1.550 176.265 174.700 0.024 0.000 1.073 232 T CA 0.611 62.728 62.100 0.030 0.000 1.091 232 T CB 0.515 69.391 68.868 0.013 0.000 0.935 232 T HN 0.317 nan 8.240 nan 0.000 0.488 233 G N 1.253 110.072 108.800 0.032 0.000 2.162 233 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.260 233 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.260 233 G C -0.250 174.660 174.900 0.017 0.000 0.976 233 G CA 0.291 45.407 45.100 0.026 0.000 0.655 233 G HN 0.677 nan 8.290 nan 0.000 0.533 234 E N -0.542 119.662 120.200 0.008 0.000 2.207 234 E HA 0.537 4.887 4.350 -0.000 0.000 0.270 234 E C 0.192 176.783 176.600 -0.015 0.000 0.927 234 E CA -1.058 55.333 56.400 -0.015 0.000 0.799 234 E CB 2.466 32.143 29.700 -0.039 0.000 1.172 234 E HN 0.063 nan 8.360 nan 0.000 0.404 235 V N 3.783 123.679 119.914 -0.031 0.000 2.585 235 V HA 0.016 4.136 4.120 -0.000 0.000 0.296 235 V C 0.271 176.325 176.094 -0.067 0.000 1.035 235 V CA 0.360 62.648 62.300 -0.020 0.000 1.084 235 V CB 0.088 31.898 31.823 -0.022 0.000 0.953 235 V HN 0.514 nan 8.190 nan 0.000 0.483 236 K N 3.076 123.463 120.400 -0.023 0.000 2.295 236 K HA 0.849 5.169 4.320 -0.000 0.000 0.239 236 K C 0.033 176.658 176.600 0.042 0.000 0.991 236 K CA -0.456 55.805 56.287 -0.044 0.000 0.845 236 K CB 2.406 34.900 32.500 -0.010 0.000 1.197 236 K HN 0.840 nan 8.250 nan 0.000 0.441 237 G N -0.001 108.883 108.800 0.139 0.000 2.692 237 G HA2 0.376 4.336 3.960 -0.000 0.000 0.291 237 G HA3 0.376 4.336 3.960 -0.000 0.000 0.291 237 G C -1.953 173.140 174.900 0.320 0.000 1.423 237 G CA -0.295 44.986 45.100 0.302 0.000 0.843 237 G HN 0.560 nan 8.290 nan 0.000 0.486 238 H N 0.315 119.446 119.070 0.101 0.000 2.934 238 H HA 0.334 4.889 4.556 -0.000 0.000 0.340 238 H C -1.166 174.164 175.328 0.004 0.000 1.008 238 H CA -0.582 55.452 56.048 -0.024 0.000 1.317 238 H CB 1.380 31.125 29.762 -0.027 0.000 1.670 238 H HN 0.372 nan 8.280 nan 0.000 0.516 239 Y N 5.521 125.554 120.300 -0.446 0.000 2.674 239 Y HA 0.117 4.667 4.550 -0.000 0.000 0.354 239 Y C 0.668 176.446 175.900 -0.203 0.000 1.089 239 Y CA -0.574 57.335 58.100 -0.318 0.000 1.444 239 Y CB -0.566 37.664 38.460 -0.384 0.000 1.187 239 Y HN 0.327 nan 8.280 nan 0.000 0.523 240 L N 3.788 125.029 121.223 0.029 0.000 2.319 240 L HA 0.175 4.515 4.340 -0.000 0.000 0.280 240 L C 0.658 177.533 176.870 0.009 0.000 1.099 240 L CA -0.033 54.739 54.840 -0.114 0.000 0.828 240 L CB 0.426 42.038 42.059 -0.745 0.000 1.150 240 L HN 0.619 nan 8.230 nan 0.000 0.442 241 N N 1.977 120.767 118.700 0.149 0.000 2.405 241 N HA 0.162 4.902 4.740 -0.000 0.000 0.260 241 N C 0.666 176.306 175.510 0.216 0.000 1.152 241 N CA -0.118 53.035 53.050 0.173 0.000 0.948 241 N CB 1.046 39.620 38.487 0.144 0.000 1.111 241 N HN 0.778 nan 8.380 nan 0.000 0.485 242 A N 2.730 125.639 122.820 0.148 0.000 2.218 242 A HA 0.043 4.363 4.320 -0.000 0.000 0.209 242 A C 0.734 178.334 177.584 0.027 0.000 1.168 242 A CA 0.082 52.149 52.037 0.050 0.000 0.804 242 A CB -0.028 18.969 19.000 -0.004 0.000 0.834 242 A HN 0.592 nan 8.150 nan 0.000 0.482 243 T N 1.797 116.427 114.554 0.126 0.000 2.866 243 T HA 0.415 4.765 4.350 -0.000 0.000 0.293 243 T C 0.200 174.896 174.700 -0.006 0.000 1.005 243 T CA 0.928 63.100 62.100 0.120 0.000 1.162 243 T CB 0.452 69.327 68.868 0.011 0.000 0.968 243 T HN 0.733 nan 8.240 nan 0.000 0.530 244 A N 2.570 125.382 122.820 -0.013 0.000 2.588 244 A HA 0.809 5.129 4.320 -0.000 0.000 0.290 244 A C 1.303 178.857 177.584 -0.050 0.000 1.136 244 A CA -0.311 51.681 52.037 -0.075 0.000 0.681 244 A CB 0.663 19.571 19.000 -0.154 0.000 1.282 244 A HN 0.746 nan 8.150 nan 0.000 0.421 245 G N -0.650 108.115 108.800 -0.059 0.000 2.422 245 G HA2 0.314 4.274 3.960 -0.000 0.000 0.218 245 G HA3 0.314 4.274 3.960 -0.000 0.000 0.218 245 G C 0.726 175.603 174.900 -0.040 0.000 1.140 245 G CA 1.881 46.955 45.100 -0.042 0.000 0.775 245 G HN 1.645 nan 8.290 nan 0.000 0.545 246 T N -4.225 110.297 114.554 -0.054 0.000 2.906 246 T HA 0.317 4.667 4.350 -0.000 0.000 0.295 246 T C 0.931 175.589 174.700 -0.070 0.000 1.075 246 T CA -0.220 61.850 62.100 -0.051 0.000 1.005 246 T CB 1.423 70.262 68.868 -0.048 0.000 1.136 246 T HN -0.055 nan 8.240 nan 0.000 0.498 247 C N 0.722 119.984 119.300 -0.063 0.000 2.425 247 C HA -0.009 4.451 4.460 -0.000 0.000 0.277 247 C C 2.607 177.531 174.990 -0.110 0.000 1.280 247 C CA 0.810 59.777 59.018 -0.085 0.000 1.744 247 C CB -1.368 26.332 27.740 -0.065 0.000 1.989 247 C HN 1.010 nan 8.230 nan 0.000 0.491 248 E N 1.033 121.180 120.200 -0.089 0.000 2.077 248 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 248 E C 2.214 178.736 176.600 -0.129 0.000 0.989 248 E CA 1.032 57.376 56.400 -0.093 0.000 0.800 248 E CB -0.298 29.366 29.700 -0.061 0.000 0.746 248 E HN 0.542 nan 8.360 nan 0.000 0.452 249 E N 0.163 120.280 120.200 -0.138 0.000 2.072 249 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 249 E C 2.041 178.456 176.600 -0.309 0.000 0.985 249 E CA 0.766 57.043 56.400 -0.205 0.000 0.801 249 E CB -0.301 29.293 29.700 -0.177 0.000 0.750 249 E HN 0.321 nan 8.360 nan 0.000 0.452 250 M N -0.091 119.363 119.600 -0.244 0.000 2.082 250 M HA -0.219 4.261 4.480 -0.000 0.000 0.258 250 M C 1.986 178.101 176.300 -0.308 0.000 1.069 250 M CA 1.490 56.635 55.300 -0.257 0.000 1.102 250 M CB -0.025 32.457 32.600 -0.197 0.000 1.336 250 M HN 0.040 nan 8.290 nan 0.000 0.404 251 M N 0.106 119.532 119.600 -0.290 0.000 2.159 251 M HA -0.179 4.301 4.480 -0.000 0.000 0.263 251 M C 1.917 178.019 176.300 -0.330 0.000 1.063 251 M CA 1.710 56.797 55.300 -0.355 0.000 1.110 251 M CB -1.210 31.220 32.600 -0.285 0.000 1.374 251 M HN 0.275 nan 8.290 nan 0.000 0.411 252 K N -0.187 120.051 120.400 -0.269 0.000 2.063 252 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 252 K C 2.139 178.554 176.600 -0.308 0.000 1.048 252 K CA 1.348 57.510 56.287 -0.208 0.000 0.928 252 K CB -0.064 32.351 32.500 -0.142 0.000 0.713 252 K HN 0.336 nan 8.250 nan 0.000 0.442 253 R N -0.002 120.129 120.500 -0.616 0.000 2.073 253 R HA -0.022 4.318 4.340 -0.000 0.000 0.229 253 R C 2.392 178.664 176.300 -0.047 0.000 1.120 253 R CA 1.075 56.752 56.100 -0.705 0.000 0.967 253 R CB -0.307 29.448 30.300 -0.908 0.000 0.862 253 R HN 0.153 nan 8.270 nan 0.000 0.436 254 A N 1.333 124.069 122.820 -0.139 0.000 1.902 254 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 254 A C 1.445 179.045 177.584 0.026 0.000 1.181 254 A CA 0.909 52.899 52.037 -0.078 0.000 0.623 254 A CB -0.506 18.275 19.000 -0.364 0.000 0.818 254 A HN 0.054 nan 8.150 nan 0.000 0.443 258 K N 0.783 121.317 120.400 0.225 0.000 2.063 258 K HA -0.163 4.156 4.320 -0.000 0.000 0.208 258 K C 1.446 178.144 176.600 0.162 0.000 1.048 258 K CA 1.987 58.392 56.287 0.195 0.000 0.928 258 K CB -0.175 32.470 32.500 0.243 0.000 0.713 258 K HN 0.620 nan 8.250 nan 0.000 0.442 259 E N 0.294 120.597 120.200 0.171 0.000 2.274 259 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 259 E C 1.817 178.501 176.600 0.140 0.000 0.996 259 E CA 0.546 57.030 56.400 0.139 0.000 0.840 259 E CB 0.094 29.872 29.700 0.131 0.000 0.772 259 E HN 0.342 nan 8.360 nan 0.000 0.491 260 L N -0.558 120.768 121.223 0.172 0.000 2.509 260 L HA 0.125 4.465 4.340 -0.000 0.000 0.222 260 L C 1.468 178.480 176.870 0.237 0.000 1.123 260 L CA 0.382 55.338 54.840 0.194 0.000 0.856 260 L CB 0.069 42.246 42.059 0.196 0.000 0.985 260 L HN 0.251 nan 8.230 nan 0.000 0.456 261 G N 0.685 109.600 108.800 0.193 0.000 2.155 261 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 261 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 261 G C 0.423 175.457 174.900 0.224 0.000 0.983 261 G CA 0.325 45.544 45.100 0.199 0.000 0.676 261 G HN 0.270 nan 8.290 nan 0.000 0.528 262 V N -2.143 117.869 119.914 0.163 0.000 3.003 262 V HA 0.680 4.800 4.120 -0.000 0.000 0.305 262 V C 0.078 176.219 176.094 0.079 0.000 1.078 262 V CA -0.804 61.540 62.300 0.074 0.000 1.083 262 V CB 1.150 32.961 31.823 -0.021 0.000 1.039 262 V HN 0.055 nan 8.190 nan 0.000 0.481 263 P HA 0.220 nan 4.420 nan 0.000 0.224 263 P C 0.170 177.498 177.300 0.048 0.000 1.157 263 P CA 0.887 64.032 63.100 0.076 0.000 0.799 263 P CB 0.531 32.306 31.700 0.124 0.000 0.809 264 I N -0.342 120.258 120.570 0.049 0.000 2.722 264 I HA 0.356 4.526 4.170 -0.000 0.000 0.292 264 I C -1.112 175.006 176.117 0.002 0.000 1.267 264 I CA -1.562 59.736 61.300 -0.004 0.000 1.036 264 I CB 2.302 40.275 38.000 -0.046 0.000 1.281 264 I HN -0.245 nan 8.210 nan 0.000 0.423 265 I N 4.538 125.092 120.570 -0.027 0.000 3.170 265 I HA 0.691 4.861 4.170 -0.000 0.000 0.312 265 I C -0.857 175.252 176.117 -0.013 0.000 1.085 265 I CA -0.959 60.339 61.300 -0.004 0.000 0.999 265 I CB 2.170 40.187 38.000 0.028 0.000 1.233 265 I HN 0.696 nan 8.210 nan 0.000 0.467 266 M N 1.583 121.219 119.600 0.060 0.000 2.690 266 M HA 0.651 5.131 4.480 -0.000 0.000 0.302 266 M C -1.477 174.926 176.300 0.171 0.000 1.234 266 M CA -0.554 54.815 55.300 0.115 0.000 0.853 266 M CB 2.199 34.931 32.600 0.220 0.000 1.748 266 M HN 0.801 nan 8.290 nan 0.000 0.469 267 H N -0.393 118.701 119.070 0.041 0.000 2.954 267 H HA 0.432 4.988 4.556 -0.000 0.000 0.361 267 H C -2.000 173.366 175.328 0.063 0.000 1.122 267 H CA -0.530 55.534 56.048 0.026 0.000 1.217 267 H CB 1.768 31.529 29.762 -0.002 0.000 1.776 267 H HN 0.768 nan 8.280 nan 0.000 0.533 268 D N 5.005 125.125 120.400 -0.468 0.000 2.468 268 D HA 0.001 4.641 4.640 -0.000 0.000 0.218 268 D C 0.784 176.747 176.300 -0.562 0.000 1.155 268 D CA -0.164 53.642 54.000 -0.324 0.000 0.924 268 D CB -0.080 40.579 40.800 -0.235 0.000 1.029 268 D HN 0.623 nan 8.370 nan 0.000 0.515 269 Y N 1.161 121.183 120.300 -0.465 0.000 2.333 269 Y HA -0.074 4.476 4.550 -0.000 0.000 0.290 269 Y C 1.292 176.895 175.900 -0.496 0.000 1.144 269 Y CA 0.951 58.807 58.100 -0.407 0.000 1.228 269 Y CB -0.415 37.897 38.460 -0.247 0.000 0.985 269 Y HN 0.245 nan 8.280 nan 0.000 0.542 270 L N 0.279 120.981 121.223 -0.867 0.000 2.202 270 L HA -0.027 4.312 4.340 -0.000 0.000 0.205 270 L C 2.561 179.164 176.870 -0.445 0.000 1.083 270 L CA 1.345 55.696 54.840 -0.816 0.000 0.790 270 L CB -0.615 40.994 42.059 -0.751 0.000 0.942 270 L HN 0.417 nan 8.230 nan 0.000 0.452 271 T N -3.634 110.721 114.554 -0.331 0.000 2.978 271 T HA 0.006 4.356 4.350 -0.000 0.000 0.262 271 T C 1.891 176.477 174.700 -0.190 0.000 1.063 271 T CA 0.786 62.755 62.100 -0.218 0.000 1.140 271 T CB -0.469 68.301 68.868 -0.163 0.000 0.886 271 T HN 0.295 nan 8.240 nan 0.000 0.470 272 G N 1.474 110.129 108.800 -0.242 0.000 2.394 272 G HA2 0.421 4.381 3.960 -0.000 0.000 0.214 272 G HA3 0.421 4.381 3.960 -0.000 0.000 0.214 272 G C 0.870 175.739 174.900 -0.052 0.000 1.176 272 G CA 0.275 45.316 45.100 -0.099 0.000 0.786 272 G HN 1.239 nan 8.290 nan 0.000 0.533 273 G N -2.059 106.648 108.800 -0.155 0.000 2.539 273 G HA2 0.002 3.962 3.960 -0.000 0.000 0.686 273 G HA3 0.002 3.962 3.960 -0.000 0.000 0.686 273 G C 0.110 174.944 174.900 -0.110 0.000 1.258 273 G CA -0.161 44.825 45.100 -0.190 0.000 0.846 273 G HN 0.079 nan 8.290 nan 0.000 0.647 274 F N 0.595 120.534 119.950 -0.018 0.000 2.186 274 F HA 0.006 4.533 4.527 -0.000 0.000 0.299 274 F C 3.118 178.935 175.800 0.030 0.000 1.090 274 F CA 2.298 60.302 58.000 0.007 0.000 1.307 274 F CB -0.635 38.316 39.000 -0.081 0.000 1.019 274 F HN 0.557 nan 8.300 nan 0.000 0.489 275 T N -0.073 114.598 114.554 0.196 0.000 2.674 275 T HA -0.214 4.136 4.350 -0.000 0.000 0.265 275 T C 2.332 177.075 174.700 0.072 0.000 1.039 275 T CA 1.536 63.705 62.100 0.116 0.000 1.150 275 T CB -0.776 68.140 68.868 0.079 0.000 0.864 275 T HN 0.275 nan 8.240 nan 0.000 0.427 276 A N 2.005 124.856 122.820 0.053 0.000 1.902 276 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 276 A C 2.268 179.808 177.584 -0.072 0.000 1.181 276 A CA 1.762 53.792 52.037 -0.011 0.000 0.623 276 A CB -0.878 18.128 19.000 0.009 0.000 0.818 276 A HN 0.562 nan 8.150 nan 0.000 0.443 277 N N -0.617 118.117 118.700 0.055 0.000 2.084 277 N HA -0.151 4.589 4.740 -0.000 0.000 0.190 277 N C 1.658 177.191 175.510 0.038 0.000 1.030 277 N CA 2.095 55.182 53.050 0.062 0.000 0.849 277 N CB -0.178 38.471 38.487 0.269 0.000 1.012 277 N HN 0.452 nan 8.380 nan 0.000 0.423 278 T N 0.127 114.739 114.554 0.096 0.000 2.746 278 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 278 T C 2.133 176.851 174.700 0.031 0.000 1.039 278 T CA 1.245 63.394 62.100 0.081 0.000 1.142 278 T CB -0.342 68.594 68.868 0.114 0.000 0.866 278 T HN 0.203 nan 8.240 nan 0.000 0.444 279 S N 1.254 116.959 115.700 0.009 0.000 2.365 279 S HA -0.081 4.388 4.470 -0.000 0.000 0.225 279 S C 1.935 176.530 174.600 -0.008 0.000 1.039 279 S CA 0.926 59.123 58.200 -0.005 0.000 1.033 279 S CB -0.513 62.670 63.200 -0.029 0.000 0.887 279 S HN 0.258 nan 8.310 nan 0.000 0.447 280 L N 1.567 122.746 121.223 -0.074 0.000 2.056 280 L HA 0.052 4.391 4.340 -0.000 0.000 0.207 280 L C 2.346 179.223 176.870 0.012 0.000 1.078 280 L CA 1.755 56.548 54.840 -0.079 0.000 0.749 280 L CB -0.986 40.922 42.059 -0.253 0.000 0.901 280 L HN 0.249 nan 8.230 nan 0.000 0.433 281 A N -0.343 122.471 122.820 -0.011 0.000 1.902 281 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 281 A C 2.255 179.832 177.584 -0.012 0.000 1.181 281 A CA 2.087 54.116 52.037 -0.013 0.000 0.623 281 A CB -0.869 18.119 19.000 -0.020 0.000 0.818 281 A HN 0.489 nan 8.150 nan 0.000 0.443 282 I N -2.119 118.456 120.570 0.009 0.000 2.226 282 I HA -0.264 3.905 4.170 -0.000 0.000 0.245 282 I C 2.429 178.554 176.117 0.014 0.000 1.100 282 I CA 1.671 62.972 61.300 0.000 0.000 1.374 282 I CB -0.377 37.630 38.000 0.012 0.000 1.057 282 I HN 0.538 nan 8.210 nan 0.000 0.413 283 Y N 0.802 121.075 120.300 -0.045 0.000 2.181 283 Y HA -0.330 4.220 4.550 -0.000 0.000 0.288 283 Y C 2.694 178.581 175.900 -0.020 0.000 1.146 283 Y CA 1.668 59.749 58.100 -0.032 0.000 1.164 283 Y CB -0.374 38.064 38.460 -0.037 0.000 0.982 283 Y HN 0.186 nan 8.280 nan 0.000 0.515 284 C N 0.076 119.426 119.300 0.083 0.000 2.446 284 C HA -0.127 4.333 4.460 -0.000 0.000 0.277 284 C C 2.749 177.704 174.990 -0.057 0.000 1.275 284 C CA 1.366 60.411 59.018 0.045 0.000 1.727 284 C CB -1.179 26.605 27.740 0.075 0.000 2.010 284 C HN 0.587 nan 8.230 nan 0.000 0.486 285 R N 1.828 122.240 120.500 -0.147 0.000 2.083 285 R HA -0.121 4.219 4.340 -0.000 0.000 0.237 285 R C 1.470 177.687 176.300 -0.138 0.000 1.137 285 R CA 2.114 58.083 56.100 -0.218 0.000 0.951 285 R CB -0.856 29.333 30.300 -0.185 0.000 0.851 285 R HN 0.426 nan 8.270 nan 0.000 0.434 286 D N -0.477 119.825 120.400 -0.164 0.000 2.348 286 D HA -0.027 4.613 4.640 -0.000 0.000 0.216 286 D C 0.399 176.572 176.300 -0.212 0.000 0.970 286 D CA 0.775 54.671 54.000 -0.173 0.000 0.889 286 D CB 0.046 40.737 40.800 -0.181 0.000 0.912 286 D HN 0.373 nan 8.370 nan 0.000 0.524 287 N N -0.796 117.748 118.700 -0.261 0.000 2.159 287 N HA 0.110 4.850 4.740 -0.000 0.000 0.217 287 N C 0.842 176.322 175.510 -0.050 0.000 1.223 287 N CA 0.355 53.272 53.050 -0.221 0.000 0.896 287 N CB 1.959 40.167 38.487 -0.465 0.000 1.064 287 N HN 0.054 nan 8.380 nan 0.000 0.518 288 G N 1.756 110.583 108.800 0.045 0.000 2.176 288 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.252 288 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.252 288 G C -0.175 174.787 174.900 0.104 0.000 1.024 288 G CA 0.073 45.261 45.100 0.145 0.000 0.755 288 G HN 0.232 nan 8.290 nan 0.000 0.507 289 L N -0.006 121.319 121.223 0.170 0.000 2.307 289 L HA 0.541 4.881 4.340 -0.000 0.000 0.282 289 L C 1.189 178.149 176.870 0.150 0.000 1.051 289 L CA -1.031 53.880 54.840 0.117 0.000 0.804 289 L CB 1.201 43.338 42.059 0.130 0.000 1.197 289 L HN 0.078 nan 8.230 nan 0.000 0.431 290 L N 3.747 124.965 121.223 -0.008 0.000 2.439 290 L HA 0.171 4.511 4.340 -0.000 0.000 0.269 290 L C -0.364 176.452 176.870 -0.091 0.000 1.179 290 L CA -0.191 54.624 54.840 -0.042 0.000 0.828 290 L CB 0.795 42.753 42.059 -0.169 0.000 1.106 290 L HN 0.384 nan 8.230 nan 0.000 0.467 291 L N 3.131 124.275 121.223 -0.132 0.000 2.345 291 L HA 0.333 4.673 4.340 -0.000 0.000 0.274 291 L C -0.519 176.162 176.870 -0.314 0.000 0.999 291 L CA -0.237 54.505 54.840 -0.163 0.000 0.849 291 L CB 0.968 42.982 42.059 -0.075 0.000 1.220 291 L HN 0.455 nan 8.230 nan 0.000 0.422 292 H N 5.406 124.174 119.070 -0.503 0.000 2.620 292 H HA 0.539 5.095 4.556 -0.000 0.000 0.313 292 H C -0.830 174.371 175.328 -0.211 0.000 1.075 292 H CA -0.467 55.240 56.048 -0.569 0.000 1.397 292 H CB 0.720 29.833 29.762 -1.082 0.000 1.446 292 H HN 0.496 nan 8.280 nan 0.000 0.493 293 I N 5.902 126.116 120.570 -0.594 0.000 2.339 293 I HA 0.109 4.278 4.170 -0.000 0.000 0.290 293 I C 0.119 176.063 176.117 -0.289 0.000 0.994 293 I CA -0.397 60.713 61.300 -0.316 0.000 1.191 293 I CB 0.833 38.631 38.000 -0.336 0.000 1.343 293 I HN 0.729 nan 8.210 nan 0.000 0.458 294 H N 7.480 126.461 119.070 -0.149 0.000 2.489 294 H HA 0.300 4.856 4.556 -0.000 0.000 0.322 294 H C 0.422 175.710 175.328 -0.067 0.000 1.091 294 H CA -0.408 55.517 56.048 -0.206 0.000 1.291 294 H CB 1.398 31.076 29.762 -0.141 0.000 1.436 294 H HN 0.579 nan 8.280 nan 0.000 0.480 295 R N 3.163 123.453 120.500 -0.350 0.000 2.568 295 R HA 0.383 4.723 4.340 -0.000 0.000 0.288 295 R C 0.241 176.542 176.300 0.002 0.000 1.077 295 R CA -0.366 55.720 56.100 -0.023 0.000 1.102 295 R CB -0.029 30.234 30.300 -0.062 0.000 1.278 295 R HN 0.380 nan 8.270 nan 0.000 0.560 296 A N 1.629 124.542 122.820 0.156 0.000 2.608 296 A HA -0.006 4.314 4.320 -0.000 0.000 0.239 296 A C 0.973 178.559 177.584 0.003 0.000 1.018 296 A CA 1.159 53.292 52.037 0.160 0.000 0.766 296 A CB -0.250 18.835 19.000 0.141 0.000 0.928 296 A HN 0.878 nan 8.150 nan 0.000 0.512 297 M N 0.335 119.923 119.600 -0.020 0.000 3.011 297 M HA -0.312 4.168 4.480 -0.000 0.000 0.211 297 M C 1.097 177.336 176.300 -0.102 0.000 0.583 297 M CA 2.007 57.257 55.300 -0.084 0.000 0.808 297 M CB -2.037 30.498 32.600 -0.108 0.000 2.882 297 M HN 1.297 nan 8.290 nan 0.000 0.294 298 H N -0.379 118.627 119.070 -0.106 0.000 2.353 298 H HA 0.123 4.679 4.556 -0.000 0.000 0.298 298 H C 1.704 177.002 175.328 -0.049 0.000 1.103 298 H CA 2.274 58.287 56.048 -0.058 0.000 1.293 298 H CB -0.639 29.120 29.762 -0.004 0.000 1.372 298 H HN 0.523 nan 8.280 nan 0.000 0.501 299 A N 1.075 123.357 122.820 -0.898 0.000 2.121 299 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 299 A C 2.544 179.977 177.584 -0.251 0.000 1.154 299 A CA 1.088 52.765 52.037 -0.599 0.000 0.679 299 A CB -0.731 17.905 19.000 -0.606 0.000 0.795 299 A HN 0.367 nan 8.150 nan 0.000 0.458 300 V N -0.111 119.690 119.914 -0.188 0.000 2.392 300 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 300 V C 2.278 178.342 176.094 -0.050 0.000 1.059 300 V CA 2.246 64.488 62.300 -0.096 0.000 1.051 300 V CB -0.527 31.248 31.823 -0.079 0.000 0.658 300 V HN 0.620 nan 8.190 nan 0.000 0.455 301 I N 0.628 121.170 120.570 -0.047 0.000 2.731 301 I HA -0.047 4.123 4.170 -0.000 0.000 0.260 301 I C 1.841 177.967 176.117 0.015 0.000 1.138 301 I CA 1.265 62.562 61.300 -0.004 0.000 1.461 301 I CB -0.184 37.824 38.000 0.013 0.000 1.128 301 I HN 0.466 nan 8.210 nan 0.000 0.438 302 D N -0.310 120.090 120.400 0.000 0.000 2.398 302 D HA -0.053 4.586 4.640 -0.000 0.000 0.210 302 D C 1.905 178.195 176.300 -0.018 0.000 1.094 302 D CA 0.037 54.046 54.000 0.015 0.000 0.839 302 D CB -0.018 40.832 40.800 0.084 0.000 0.963 302 D HN -0.053 nan 8.370 nan 0.000 0.506 303 R N 0.252 120.732 120.500 -0.033 0.000 2.073 303 R HA 0.033 4.372 4.340 -0.000 0.000 0.229 303 R C 0.463 176.780 176.300 0.028 0.000 1.120 303 R CA 1.115 57.200 56.100 -0.025 0.000 0.967 303 R CB -0.180 30.086 30.300 -0.057 0.000 0.862 303 R HN 0.065 nan 8.270 nan 0.000 0.436 304 Q N 0.451 120.283 119.800 0.054 0.000 2.293 304 Q HA 0.070 4.410 4.340 -0.000 0.000 0.251 304 Q C 0.344 176.412 176.000 0.114 0.000 0.930 304 Q CA 0.044 55.896 55.803 0.082 0.000 0.893 304 Q CB 1.330 30.123 28.738 0.092 0.000 1.215 304 Q HN 0.244 nan 8.270 nan 0.000 0.425 305 R N 2.307 122.874 120.500 0.112 0.000 2.148 305 R HA -0.128 4.212 4.340 -0.000 0.000 0.227 305 R C 1.252 177.627 176.300 0.126 0.000 1.103 305 R CA 1.564 57.739 56.100 0.126 0.000 0.983 305 R CB 0.293 30.656 30.300 0.105 0.000 0.874 305 R HN 0.646 nan 8.270 nan 0.000 0.451 306 N N -1.145 117.633 118.700 0.130 0.000 2.392 306 N HA -0.102 4.638 4.740 -0.000 0.000 0.177 306 N C -0.387 175.251 175.510 0.213 0.000 1.066 306 N CA 0.625 53.759 53.050 0.140 0.000 0.895 306 N CB 0.126 38.683 38.487 0.117 0.000 0.988 306 N HN 0.261 nan 8.380 nan 0.000 0.457 307 H N -1.437 117.705 119.070 0.119 0.000 3.029 307 H HA 0.561 5.117 4.556 -0.000 0.000 0.358 307 H C 0.039 175.475 175.328 0.180 0.000 1.129 307 H CA 0.386 56.536 56.048 0.171 0.000 1.230 307 H CB 1.409 31.257 29.762 0.144 0.000 1.827 307 H HN 0.333 nan 8.280 nan 0.000 0.530 308 G N 2.509 111.257 108.800 -0.085 0.000 2.255 308 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.216 308 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.216 308 G C -1.553 173.359 174.900 0.019 0.000 1.307 308 G CA -0.318 44.762 45.100 -0.033 0.000 1.162 308 G HN 0.639 nan 8.290 nan 0.000 0.494 309 I N 1.060 121.636 120.570 0.010 0.000 2.478 309 I HA 0.322 4.492 4.170 -0.000 0.000 0.287 309 I C 0.198 176.374 176.117 0.097 0.000 1.042 309 I CA -0.872 60.452 61.300 0.039 0.000 1.067 309 I CB 1.920 39.914 38.000 -0.010 0.000 1.233 309 I HN 0.662 nan 8.210 nan 0.000 0.431 310 H N 4.949 124.049 119.070 0.050 0.000 2.871 310 H HA -0.034 4.522 4.556 -0.000 0.000 0.355 310 H C 0.469 175.865 175.328 0.113 0.000 1.092 310 H CA 0.784 56.895 56.048 0.104 0.000 1.420 310 H CB 0.996 30.814 29.762 0.092 0.000 1.400 310 H HN 0.654 nan 8.280 nan 0.000 0.604 311 F N 5.378 125.134 119.950 -0.322 0.000 2.250 311 F HA -0.207 4.320 4.527 -0.000 0.000 0.301 311 F C 2.580 178.306 175.800 -0.124 0.000 1.077 311 F CA 1.623 59.493 58.000 -0.216 0.000 1.348 311 F CB -0.101 38.645 39.000 -0.423 0.000 1.040 311 F HN 0.677 nan 8.300 nan 0.000 0.509 312 R N -0.280 120.302 120.500 0.136 0.000 2.127 312 R HA -0.130 4.210 4.340 -0.000 0.000 0.238 312 R C 1.748 178.007 176.300 -0.069 0.000 1.134 312 R CA 1.997 58.118 56.100 0.035 0.000 0.975 312 R CB -1.437 29.069 30.300 0.343 0.000 0.865 312 R HN 0.298 nan 8.270 nan 0.000 0.447 313 V N 1.899 121.808 119.914 -0.007 0.000 2.379 313 V HA -0.152 3.968 4.120 -0.000 0.000 0.245 313 V C 2.482 178.596 176.094 0.033 0.000 1.044 313 V CA 1.448 63.750 62.300 0.003 0.000 1.036 313 V CB -0.420 31.391 31.823 -0.020 0.000 0.664 313 V HN 0.268 nan 8.190 nan 0.000 0.453 314 L N 0.286 121.485 121.223 -0.040 0.000 2.131 314 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 314 L C 2.666 179.434 176.870 -0.170 0.000 1.092 314 L CA 1.414 56.281 54.840 0.045 0.000 0.759 314 L CB -0.777 41.314 42.059 0.053 0.000 0.903 314 L HN 0.365 nan 8.230 nan 0.000 0.435 315 A N 0.114 122.543 122.820 -0.651 0.000 1.897 315 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 315 A C 2.352 179.816 177.584 -0.200 0.000 1.181 315 A CA 1.179 52.873 52.037 -0.572 0.000 0.620 315 A CB -0.214 18.326 19.000 -0.765 0.000 0.821 315 A HN 0.263 nan 8.150 nan 0.000 0.443 316 K N -0.130 120.244 120.400 -0.044 0.000 2.057 316 K HA -0.088 4.232 4.320 -0.000 0.000 0.207 316 K C 2.318 178.969 176.600 0.085 0.000 1.049 316 K CA 1.149 57.539 56.287 0.172 0.000 0.931 316 K CB -0.345 32.290 32.500 0.225 0.000 0.714 316 K HN 0.425 nan 8.250 nan 0.000 0.440 317 A N 1.955 124.811 122.820 0.059 0.000 1.908 317 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 317 A C 2.068 179.647 177.584 -0.009 0.000 1.181 317 A CA 1.150 53.178 52.037 -0.015 0.000 0.627 317 A CB -0.601 18.405 19.000 0.011 0.000 0.818 317 A HN 0.256 nan 8.150 nan 0.000 0.445 318 L N -0.465 120.771 121.223 0.022 0.000 2.056 318 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 318 L C 2.516 179.263 176.870 -0.205 0.000 1.078 318 L CA 2.328 57.069 54.840 -0.166 0.000 0.749 318 L CB -0.813 40.892 42.059 -0.591 0.000 0.901 318 L HN 0.543 nan 8.230 nan 0.000 0.433 319 R N -0.527 119.830 120.500 -0.238 0.000 2.105 319 R HA -0.197 4.143 4.340 -0.000 0.000 0.239 319 R C 2.313 178.459 176.300 -0.257 0.000 1.135 319 R CA 1.865 57.771 56.100 -0.324 0.000 0.967 319 R CB -0.110 29.834 30.300 -0.594 0.000 0.861 319 R HN 0.368 nan 8.270 nan 0.000 0.442 320 M N -0.995 118.464 119.600 -0.235 0.000 2.123 320 M HA -0.110 4.369 4.480 -0.000 0.000 0.263 320 M C 2.499 178.690 176.300 -0.181 0.000 1.069 320 M CA 1.689 56.754 55.300 -0.391 0.000 1.133 320 M CB -0.225 31.838 32.600 -0.895 0.000 1.356 320 M HN 0.122 nan 8.290 nan 0.000 0.415 321 S N -0.320 115.329 115.700 -0.085 0.000 2.368 321 S HA 0.076 4.546 4.470 -0.000 0.000 0.225 321 S C 0.843 175.473 174.600 0.051 0.000 1.030 321 S CA 1.278 59.529 58.200 0.085 0.000 0.999 321 S CB -0.351 62.990 63.200 0.235 0.000 0.844 321 S HN 0.666 nan 8.310 nan 0.000 0.459 322 G N -1.586 107.194 108.800 -0.034 0.000 2.957 322 G HA2 0.425 4.385 3.960 -0.000 0.000 0.636 322 G HA3 0.425 4.385 3.960 -0.000 0.000 0.636 322 G C -0.342 174.495 174.900 -0.106 0.000 1.401 322 G CA -0.452 44.608 45.100 -0.067 0.000 0.941 322 G HN 1.036 nan 8.290 nan 0.000 0.610 323 G N 0.688 109.403 108.800 -0.140 0.000 2.691 323 G HA2 0.585 4.545 3.960 -0.000 0.000 0.298 323 G HA3 0.585 4.545 3.960 -0.000 0.000 0.298 323 G C -0.099 174.718 174.900 -0.137 0.000 1.471 323 G CA 0.236 45.240 45.100 -0.160 0.000 0.912 323 G HN 0.359 nan 8.290 nan 0.000 0.553 324 D N -0.102 120.225 120.400 -0.123 0.000 2.213 324 D HA 0.057 4.697 4.640 -0.000 0.000 0.205 324 D C 0.436 176.788 176.300 0.087 0.000 0.961 324 D CA 1.148 55.121 54.000 -0.045 0.000 0.853 324 D CB 0.276 41.040 40.800 -0.060 0.000 0.967 324 D HN 0.588 nan 8.370 nan 0.000 0.496 325 H N -0.797 118.136 119.070 -0.228 0.000 2.622 325 H HA 0.543 5.099 4.556 -0.000 0.000 0.363 325 H C -1.066 174.055 175.328 -0.344 0.000 1.151 325 H CA -1.072 54.815 56.048 -0.270 0.000 1.184 325 H CB 2.664 32.240 29.762 -0.309 0.000 1.643 325 H HN -0.118 nan 8.280 nan 0.000 0.531 326 L N 1.965 123.105 121.223 -0.139 0.000 2.464 326 L HA 0.221 4.561 4.340 -0.000 0.000 0.266 326 L C -0.747 176.086 176.870 -0.062 0.000 0.965 326 L CA -0.425 54.329 54.840 -0.142 0.000 0.833 326 L CB 1.575 43.558 42.059 -0.127 0.000 1.296 326 L HN 0.708 nan 8.230 nan 0.000 0.405 327 H N 2.595 121.540 119.070 -0.207 0.000 2.928 327 H HA 0.145 4.701 4.556 -0.000 0.000 0.338 327 H C 0.329 175.562 175.328 -0.159 0.000 1.047 327 H CA 0.873 56.804 56.048 -0.196 0.000 1.435 327 H CB 0.995 30.572 29.762 -0.308 0.000 1.428 327 H HN 0.788 nan 8.280 nan 0.000 0.590 328 S N 1.774 117.470 115.700 -0.007 0.000 2.549 328 S HA 0.311 4.781 4.470 -0.000 0.000 0.225 328 S C 0.979 175.696 174.600 0.195 0.000 1.039 328 S CA 0.169 58.497 58.200 0.213 0.000 0.942 328 S CB 1.267 64.701 63.200 0.391 0.000 0.881 328 S HN 1.078 nan 8.310 nan 0.000 0.503 329 G N 0.861 109.683 108.800 0.036 0.000 2.603 329 G HA2 0.029 3.989 3.960 -0.000 0.000 0.686 329 G HA3 0.029 3.989 3.960 -0.000 0.000 0.686 329 G C 0.195 175.171 174.900 0.127 0.000 1.286 329 G CA 0.209 45.344 45.100 0.058 0.000 0.871 329 G HN 0.951 nan 8.290 nan 0.000 0.568 330 T N -3.334 111.263 114.554 0.073 0.000 2.954 330 T HA 0.461 4.811 4.350 -0.000 0.000 0.252 330 T C 1.810 176.558 174.700 0.079 0.000 0.983 330 T CA 1.382 63.527 62.100 0.075 0.000 0.941 330 T CB 0.456 69.264 68.868 -0.100 0.000 1.141 330 T HN 2.282 nan 8.240 nan 0.000 0.500 331 V N 0.868 120.803 119.914 0.035 0.000 0.481 331 V HA -0.329 3.791 4.120 -0.000 0.000 0.092 331 V C 2.010 178.100 176.094 -0.008 0.000 2.400 331 V CA 1.984 64.287 62.300 0.006 0.000 3.646 331 V CB -1.936 29.874 31.823 -0.021 0.000 0.927 331 V HN 0.753 nan 8.190 nan 0.000 0.973 332 V N -1.275 118.598 119.914 -0.068 0.000 3.621 332 V HA 0.716 4.836 4.120 -0.000 0.000 0.285 332 V C 1.179 177.153 176.094 -0.201 0.000 1.346 332 V CA 1.217 63.444 62.300 -0.121 0.000 1.104 332 V CB 0.083 31.796 31.823 -0.185 0.000 0.913 332 V HN 0.919 nan 8.190 nan 0.000 0.432 333 G N 1.306 109.965 108.800 -0.235 0.000 2.543 333 G HA2 0.309 4.269 3.960 -0.000 0.000 0.267 333 G HA3 0.309 4.269 3.960 -0.000 0.000 0.267 333 G C 0.699 175.307 174.900 -0.485 0.000 1.406 333 G CA 0.004 44.896 45.100 -0.345 0.000 1.048 333 G HN 0.466 nan 8.290 nan 0.000 0.548 334 K N -1.247 118.637 120.400 -0.860 0.000 2.366 334 K HA 0.139 4.459 4.320 -0.000 0.000 0.198 334 K C 0.180 176.585 176.600 -0.325 0.000 1.044 334 K CA 0.409 56.162 56.287 -0.890 0.000 0.973 334 K CB -0.235 31.730 32.500 -0.891 0.000 0.767 334 K HN 0.176 nan 8.250 nan 0.000 0.475 335 L N 1.896 122.984 121.223 -0.225 0.000 2.331 335 L HA 0.299 4.639 4.340 -0.000 0.000 0.275 335 L C -0.030 176.805 176.870 -0.057 0.000 1.022 335 L CA -0.931 53.838 54.840 -0.119 0.000 0.812 335 L CB 1.776 43.780 42.059 -0.092 0.000 1.257 335 L HN 0.104 nan 8.230 nan 0.000 0.435 336 E N 1.085 121.266 120.200 -0.031 0.000 2.392 336 E HA 0.471 4.821 4.350 -0.000 0.000 0.264 336 E C -0.326 176.299 176.600 0.042 0.000 1.024 336 E CA 0.030 56.438 56.400 0.015 0.000 0.903 336 E CB 0.756 30.463 29.700 0.011 0.000 0.963 336 E HN 0.764 nan 8.360 nan 0.000 0.432 337 G N 3.924 112.764 108.800 0.066 0.000 1.895 337 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.302 337 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.302 337 G C -1.122 173.822 174.900 0.073 0.000 1.691 337 G CA -0.779 44.380 45.100 0.099 0.000 0.929 337 G HN 0.479 nan 8.290 nan 0.000 0.629 338 E N 2.146 122.395 120.200 0.082 0.000 2.373 338 E HA 0.143 4.493 4.350 -0.000 0.000 0.267 338 E C 1.545 178.139 176.600 -0.009 0.000 1.032 338 E CA -0.609 55.818 56.400 0.045 0.000 0.889 338 E CB 1.009 30.746 29.700 0.061 0.000 0.984 338 E HN 0.592 nan 8.360 nan 0.000 0.425 339 R N 3.118 123.597 120.500 -0.035 0.000 2.112 339 R HA -0.210 4.130 4.340 -0.000 0.000 0.242 339 R C 1.368 177.594 176.300 -0.123 0.000 1.137 339 R CA 1.876 57.920 56.100 -0.093 0.000 0.944 339 R CB 0.074 30.328 30.300 -0.076 0.000 0.857 339 R HN 0.502 nan 8.270 nan 0.000 0.435 340 E N -0.010 120.144 120.200 -0.077 0.000 2.107 340 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 340 E C 2.141 178.685 176.600 -0.092 0.000 0.982 340 E CA 0.986 57.338 56.400 -0.080 0.000 0.809 340 E CB -0.187 29.486 29.700 -0.045 0.000 0.756 340 E HN 0.236 nan 8.360 nan 0.000 0.459 341 V N 1.672 121.556 119.914 -0.050 0.000 2.295 341 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 341 V C 2.436 178.344 176.094 -0.311 0.000 1.049 341 V CA 1.522 63.818 62.300 -0.006 0.000 1.024 341 V CB -0.453 31.483 31.823 0.187 0.000 0.648 341 V HN 0.187 nan 8.190 nan 0.000 0.447 342 I N -0.592 119.717 120.570 -0.435 0.000 2.252 342 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 342 I C 2.345 178.011 176.117 -0.752 0.000 1.102 342 I CA 1.458 62.221 61.300 -0.895 0.000 1.385 342 I CB -0.302 37.470 38.000 -0.379 0.000 1.064 342 I HN 0.251 nan 8.210 nan 0.000 0.414 343 L N 0.439 121.411 121.223 -0.418 0.000 2.079 343 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 343 L C 2.645 179.391 176.870 -0.206 0.000 1.081 343 L CA 1.580 56.249 54.840 -0.285 0.000 0.752 343 L CB -1.173 40.762 42.059 -0.206 0.000 0.896 343 L HN 0.349 nan 8.230 nan 0.000 0.433 344 G N 0.919 109.597 108.800 -0.204 0.000 2.433 344 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.216 344 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.216 344 G C 1.261 176.184 174.900 0.038 0.000 1.186 344 G CA 1.036 46.098 45.100 -0.065 0.000 0.779 344 G HN 0.486 nan 8.290 nan 0.000 0.543 345 F N 0.447 120.478 119.950 0.134 0.000 2.615 345 F HA 0.313 4.840 4.527 -0.000 0.000 0.297 345 F C 2.148 178.030 175.800 0.138 0.000 1.124 345 F CA -0.239 57.855 58.000 0.156 0.000 1.451 345 F CB -0.832 38.296 39.000 0.213 0.000 1.103 345 F HN -0.015 nan 8.300 nan 0.000 0.569 346 V N 1.423 121.429 119.914 0.153 0.000 2.343 346 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 346 V C 2.141 178.315 176.094 0.132 0.000 1.051 346 V CA 2.397 64.806 62.300 0.181 0.000 1.036 346 V CB -0.681 31.194 31.823 0.087 0.000 0.654 346 V HN 0.230 nan 8.190 nan 0.000 0.451 347 D N 0.023 120.478 120.400 0.092 0.000 2.123 347 D HA -0.140 4.500 4.640 -0.000 0.000 0.196 347 D C 2.082 178.474 176.300 0.154 0.000 0.992 347 D CA 1.212 55.272 54.000 0.101 0.000 0.833 347 D CB -0.305 40.544 40.800 0.081 0.000 0.954 347 D HN 0.340 nan 8.370 nan 0.000 0.455 348 L N -0.277 121.074 121.223 0.214 0.000 2.191 348 L HA -0.108 4.232 4.340 -0.000 0.000 0.212 348 L C 2.396 179.364 176.870 0.164 0.000 1.103 348 L CA 0.736 55.768 54.840 0.320 0.000 0.769 348 L CB -0.213 42.055 42.059 0.348 0.000 0.908 348 L HN 0.063 nan 8.230 nan 0.000 0.438 349 M N -1.497 118.145 119.600 0.070 0.000 2.287 349 M HA -0.064 4.416 4.480 -0.000 0.000 0.266 349 M C 2.236 178.432 176.300 -0.174 0.000 1.079 349 M CA 1.414 56.658 55.300 -0.093 0.000 1.146 349 M CB -0.012 32.605 32.600 0.028 0.000 1.374 349 M HN 0.086 nan 8.290 nan 0.000 0.435 350 R N -0.393 120.073 120.500 -0.057 0.000 2.175 350 R HA 0.094 4.434 4.340 -0.000 0.000 0.202 350 R C -0.080 176.198 176.300 -0.038 0.000 1.018 350 R CA 0.330 56.402 56.100 -0.047 0.000 1.029 350 R CB 0.226 30.538 30.300 0.021 0.000 0.959 350 R HN 0.248 nan 8.270 nan 0.000 0.480 351 D N 0.152 120.564 120.400 0.020 0.000 2.340 351 D HA 0.008 4.647 4.640 -0.000 0.000 0.251 351 D C 0.245 176.648 176.300 0.172 0.000 1.080 351 D CA -0.089 53.972 54.000 0.101 0.000 0.971 351 D CB 1.335 42.225 40.800 0.149 0.000 1.137 351 D HN -0.110 nan 8.370 nan 0.000 0.475 352 D N -0.913 119.617 120.400 0.218 0.000 2.213 352 D HA -0.082 4.558 4.640 -0.000 0.000 0.205 352 D C -0.642 175.915 176.300 0.429 0.000 0.961 352 D CA 0.621 54.804 54.000 0.306 0.000 0.853 352 D CB 0.273 41.203 40.800 0.217 0.000 0.967 352 D HN 0.321 nan 8.370 nan 0.000 0.496 353 Y N -0.248 120.174 120.300 0.202 0.000 2.362 353 Y HA 0.438 4.988 4.550 -0.000 0.000 0.326 353 Y C -1.715 174.261 175.900 0.126 0.000 1.083 353 Y CA -0.950 57.233 58.100 0.139 0.000 1.073 353 Y CB 1.606 40.117 38.460 0.084 0.000 1.211 353 Y HN -0.327 nan 8.280 nan 0.000 0.433 354 V N 5.970 125.817 119.914 -0.111 0.000 2.443 354 V HA 0.327 4.447 4.120 -0.000 0.000 0.293 354 V C -0.469 175.538 176.094 -0.145 0.000 1.021 354 V CA -0.998 61.292 62.300 -0.016 0.000 0.848 354 V CB 1.494 33.359 31.823 0.070 0.000 0.998 354 V HN 0.716 nan 8.190 nan 0.000 0.424 355 E N 2.759 122.946 120.200 -0.023 0.000 2.373 355 E HA 0.183 4.533 4.350 -0.000 0.000 0.263 355 E C 0.007 176.599 176.600 -0.013 0.000 1.073 355 E CA -0.586 55.806 56.400 -0.014 0.000 0.894 355 E CB 1.344 31.096 29.700 0.086 0.000 1.008 355 E HN 0.534 nan 8.360 nan 0.000 0.420 356 K N 1.954 122.346 120.400 -0.013 0.000 2.550 356 K HA -0.153 4.167 4.320 -0.000 0.000 0.280 356 K C -0.681 175.898 176.600 -0.036 0.000 0.987 356 K CA 0.818 57.092 56.287 -0.021 0.000 1.048 356 K CB 0.271 32.760 32.500 -0.018 0.000 0.879 356 K HN 0.378 nan 8.250 nan 0.000 0.491 357 D N 3.658 124.019 120.400 -0.065 0.000 2.362 357 D HA 0.134 4.774 4.640 -0.000 0.000 0.232 357 D C 0.202 176.428 176.300 -0.123 0.000 1.329 357 D CA -0.470 53.486 54.000 -0.072 0.000 0.944 357 D CB 0.560 41.337 40.800 -0.038 0.000 1.471 357 D HN 0.484 nan 8.370 nan 0.000 0.533 358 R N 0.827 121.221 120.500 -0.178 0.000 2.189 358 R HA -0.050 4.289 4.340 -0.000 0.000 0.223 358 R C 1.807 177.999 176.300 -0.181 0.000 1.092 358 R CA 1.119 57.056 56.100 -0.271 0.000 0.989 358 R CB -0.483 29.631 30.300 -0.310 0.000 0.876 358 R HN 0.503 nan 8.270 nan 0.000 0.457 359 S N 0.249 115.880 115.700 -0.114 0.000 2.474 359 S HA -0.048 4.422 4.470 -0.000 0.000 0.235 359 S C 1.510 176.071 174.600 -0.064 0.000 0.997 359 S CA 0.642 58.796 58.200 -0.077 0.000 0.949 359 S CB -0.003 63.163 63.200 -0.057 0.000 0.766 359 S HN 0.269 nan 8.310 nan 0.000 0.517 360 R N 0.110 120.569 120.500 -0.069 0.000 2.543 360 R HA 0.321 4.661 4.340 -0.000 0.000 0.323 360 R C 1.124 177.403 176.300 -0.035 0.000 1.002 360 R CA 0.287 56.358 56.100 -0.049 0.000 1.106 360 R CB 0.429 30.702 30.300 -0.046 0.000 1.280 360 R HN 0.499 nan 8.270 nan 0.000 0.549 361 G N 1.864 110.621 108.800 -0.071 0.000 2.153 361 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.252 361 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.252 361 G C 0.118 175.042 174.900 0.040 0.000 0.994 361 G CA -0.050 45.023 45.100 -0.044 0.000 0.698 361 G HN 0.280 nan 8.290 nan 0.000 0.521 362 I N 0.570 121.124 120.570 -0.027 0.000 2.291 362 I HA 0.326 4.496 4.170 -0.000 0.000 0.292 362 I C 1.226 177.310 176.117 -0.055 0.000 1.064 362 I CA -0.876 60.445 61.300 0.036 0.000 1.269 362 I CB 0.501 38.517 38.000 0.026 0.000 1.418 362 I HN 0.064 nan 8.210 nan 0.000 0.485 363 Y N 5.268 125.444 120.300 -0.207 0.000 2.490 363 Y HA 0.200 4.750 4.550 -0.000 0.000 0.285 363 Y C 0.196 175.723 175.900 -0.620 0.000 1.117 363 Y CA 0.386 58.218 58.100 -0.447 0.000 1.262 363 Y CB 0.072 38.129 38.460 -0.672 0.000 1.043 363 Y HN 0.304 nan 8.280 nan 0.000 0.553 364 F N -1.603 118.440 119.950 0.156 0.000 2.588 364 F HA 0.374 4.901 4.527 -0.000 0.000 0.310 364 F C 0.216 175.994 175.800 -0.037 0.000 1.082 364 F CA -1.805 56.231 58.000 0.061 0.000 0.929 364 F CB 0.991 40.018 39.000 0.046 0.000 1.254 364 F HN -0.487 nan 8.300 nan 0.000 0.455 365 T N 1.941 116.562 114.554 0.112 0.000 2.853 365 T HA 0.200 4.549 4.350 -0.000 0.000 0.298 365 T C -0.354 174.230 174.700 -0.195 0.000 0.978 365 T CA 0.079 62.124 62.100 -0.092 0.000 1.152 365 T CB 0.430 69.229 68.868 -0.115 0.000 0.914 365 T HN 0.432 nan 8.240 nan 0.000 0.539 366 Q N 2.820 122.419 119.800 -0.335 0.000 2.333 366 Q HA 0.338 4.678 4.340 -0.000 0.000 0.268 366 Q C -1.400 174.254 176.000 -0.577 0.000 1.007 366 Q CA -0.670 54.869 55.803 -0.440 0.000 0.810 366 Q CB 1.208 29.711 28.738 -0.392 0.000 1.264 366 Q HN 0.496 nan 8.270 nan 0.000 0.452 367 D N 3.902 124.005 120.400 -0.496 0.000 2.349 367 D HA 0.265 4.905 4.640 -0.000 0.000 0.232 367 D C -1.121 175.048 176.300 -0.219 0.000 1.071 367 D CA -0.234 53.637 54.000 -0.214 0.000 0.832 367 D CB 0.434 41.242 40.800 0.015 0.000 1.086 367 D HN 0.472 nan 8.370 nan 0.000 0.504 371 M N 4.090 123.768 119.600 0.129 0.000 2.260 371 M HA 0.262 4.742 4.480 -0.000 0.000 0.348 371 M C -2.727 173.555 176.300 -0.030 0.000 1.342 371 M CA -1.110 54.227 55.300 0.061 0.000 1.040 371 M CB -0.337 32.328 32.600 0.108 0.000 1.810 371 M HN -0.142 nan 8.290 nan 0.000 0.453 372 P HA 0.179 nan 4.420 nan 0.000 0.267 372 P C -0.374 176.834 177.300 -0.152 0.000 1.200 372 P CA -0.020 63.039 63.100 -0.068 0.000 0.772 372 P CB 0.327 31.998 31.700 -0.048 0.000 0.855 373 G N 1.109 109.836 108.800 -0.122 0.000 2.507 373 G HA2 0.435 4.395 3.960 -0.000 0.000 0.271 373 G HA3 0.435 4.395 3.960 -0.000 0.000 0.271 373 G C -0.805 174.017 174.900 -0.130 0.000 1.189 373 G CA -0.386 44.615 45.100 -0.165 0.000 0.859 373 G HN 0.362 nan 8.290 nan 0.000 0.542 374 V N 2.522 122.343 119.914 -0.154 0.000 2.435 374 V HA 0.320 4.440 4.120 -0.000 0.000 0.290 374 V C 0.468 176.525 176.094 -0.062 0.000 1.030 374 V CA -0.661 61.573 62.300 -0.110 0.000 0.881 374 V CB 1.635 33.360 31.823 -0.163 0.000 0.983 374 V HN 0.831 nan 8.190 nan 0.000 0.445 375 M N 8.583 128.160 119.600 -0.038 0.000 2.227 375 M HA 0.284 4.764 4.480 -0.000 0.000 0.349 375 M C -2.301 173.923 176.300 -0.126 0.000 1.443 375 M CA -1.352 53.896 55.300 -0.088 0.000 1.110 375 M CB 1.062 33.557 32.600 -0.175 0.000 1.773 375 M HN 0.382 nan 8.290 nan 0.000 0.463 376 P HA 0.129 nan 4.420 nan 0.000 0.276 376 P C -1.257 175.885 177.300 -0.263 0.000 1.230 376 P CA -0.252 62.800 63.100 -0.080 0.000 0.776 376 P CB 0.804 32.551 31.700 0.078 0.000 0.888 377 V N 3.019 122.748 119.914 -0.307 0.000 2.378 377 V HA 0.499 4.619 4.120 -0.000 0.000 0.288 377 V C 0.452 176.245 176.094 -0.502 0.000 1.016 377 V CA -0.822 61.209 62.300 -0.448 0.000 0.840 377 V CB 1.241 32.758 31.823 -0.509 0.000 0.994 377 V HN 0.676 nan 8.190 nan 0.000 0.431 378 A N 3.925 126.395 122.820 -0.584 0.000 2.269 378 A HA 0.805 5.125 4.320 -0.000 0.000 0.302 378 A C 0.061 177.392 177.584 -0.421 0.000 1.266 378 A CA -0.184 51.542 52.037 -0.517 0.000 0.894 378 A CB 0.921 19.484 19.000 -0.729 0.000 1.147 378 A HN 0.813 nan 8.150 nan 0.000 0.537 379 S N 1.524 117.046 115.700 -0.295 0.000 2.537 379 S HA 0.751 5.220 4.470 -0.000 0.000 0.270 379 S C -0.494 174.011 174.600 -0.158 0.000 1.142 379 S CA 0.397 58.456 58.200 -0.235 0.000 0.870 379 S CB 1.369 64.508 63.200 -0.102 0.000 1.112 379 S HN 2.582 nan 8.310 nan 0.000 0.466 380 G N 1.654 110.348 108.800 -0.176 0.000 3.199 380 G HA2 0.438 4.397 3.960 -0.000 0.000 0.680 380 G HA3 0.438 4.397 3.960 -0.000 0.000 0.680 380 G C 0.851 175.599 174.900 -0.252 0.000 1.197 380 G CA 0.284 45.288 45.100 -0.160 0.000 1.143 380 G HN 2.132 nan 8.290 nan 0.000 0.492 381 G N 0.346 109.017 108.800 -0.215 0.000 2.198 381 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.260 381 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.260 381 G C 0.610 175.493 174.900 -0.028 0.000 1.025 381 G CA 1.023 45.985 45.100 -0.231 0.000 0.769 381 G HN 2.315 nan 8.290 nan 0.000 0.507 382 I N -2.087 118.456 120.570 -0.045 0.000 2.577 382 I HA 0.956 5.126 4.170 -0.000 0.000 0.305 382 I C 0.202 176.537 176.117 0.363 0.000 0.986 382 I CA -1.338 60.037 61.300 0.125 0.000 1.189 382 I CB 1.632 39.537 38.000 -0.159 0.000 1.355 382 I HN 0.342 nan 8.210 nan 0.000 0.476 383 H N 1.605 121.020 119.070 0.574 0.000 2.947 383 H HA 0.452 5.008 4.556 -0.000 0.000 0.290 383 H C 0.670 176.108 175.328 0.184 0.000 1.430 383 H CA -0.426 55.742 56.048 0.200 0.000 1.189 383 H CB 0.574 30.184 29.762 -0.254 0.000 1.875 383 H HN 0.364 nan 8.280 nan 0.000 0.568 384 V N -2.774 117.269 119.914 0.214 0.000 2.370 384 V HA -0.273 3.847 4.120 -0.000 0.000 0.252 384 V C 1.361 177.442 176.094 -0.021 0.000 1.068 384 V CA 1.943 64.229 62.300 -0.023 0.000 1.061 384 V CB -1.273 30.462 31.823 -0.147 0.000 0.656 384 V HN 0.787 nan 8.190 nan 0.000 0.455 385 W N -0.277 121.136 121.300 0.189 0.000 2.465 385 W HA 0.025 4.685 4.660 -0.000 0.000 0.268 385 W C 2.614 179.099 176.519 -0.056 0.000 1.242 385 W CA 1.146 58.520 57.345 0.048 0.000 1.248 385 W CB -0.452 29.072 29.460 0.107 0.000 1.118 385 W HN 0.359 nan 8.180 nan 0.000 0.587 386 H N -0.839 118.333 119.070 0.170 0.000 2.547 386 H HA -0.004 4.552 4.556 -0.000 0.000 0.272 386 H C 1.885 177.303 175.328 0.150 0.000 0.989 386 H CA 0.997 57.111 56.048 0.111 0.000 1.214 386 H CB -0.436 29.337 29.762 0.019 0.000 1.389 386 H HN 0.174 nan 8.280 nan 0.000 0.577 387 M N 1.437 121.182 119.600 0.241 0.000 2.082 387 M HA -0.073 4.407 4.480 -0.000 0.000 0.258 387 M C -0.931 175.465 176.300 0.161 0.000 1.069 387 M CA 1.617 57.033 55.300 0.193 0.000 1.102 387 M CB -0.870 31.780 32.600 0.083 0.000 1.336 387 M HN 0.057 nan 8.290 nan 0.000 0.404 388 P HA -0.077 nan 4.420 nan 0.000 0.215 388 P C 1.138 178.512 177.300 0.123 0.000 1.153 388 P CA 2.173 65.343 63.100 0.116 0.000 0.853 388 P CB -0.340 31.428 31.700 0.113 0.000 0.788 389 A N -0.556 122.353 122.820 0.148 0.000 1.877 389 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 389 A C 2.225 179.890 177.584 0.134 0.000 1.186 389 A CA 1.540 53.653 52.037 0.126 0.000 0.620 389 A CB -1.708 17.378 19.000 0.143 0.000 0.822 389 A HN 0.094 nan 8.150 nan 0.000 0.443 390 L N -0.552 120.790 121.223 0.198 0.000 2.012 390 L HA -0.187 4.152 4.340 -0.000 0.000 0.210 390 L C 2.522 179.574 176.870 0.303 0.000 1.073 390 L CA 1.319 56.338 54.840 0.299 0.000 0.748 390 L CB -0.692 41.524 42.059 0.261 0.000 0.891 390 L HN 0.243 nan 8.230 nan 0.000 0.431 391 V N -0.370 119.662 119.914 0.197 0.000 2.407 391 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 391 V C 2.587 178.751 176.094 0.116 0.000 1.055 391 V CA 1.817 64.209 62.300 0.154 0.000 1.049 391 V CB -0.522 31.366 31.823 0.108 0.000 0.662 391 V HN 0.497 nan 8.190 nan 0.000 0.455 392 E N 0.203 120.454 120.200 0.085 0.000 2.107 392 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 392 E C 2.162 178.752 176.600 -0.018 0.000 0.982 392 E CA 1.321 57.742 56.400 0.036 0.000 0.809 392 E CB -0.044 29.674 29.700 0.031 0.000 0.756 392 E HN 0.612 nan 8.360 nan 0.000 0.459 393 I N -0.362 120.169 120.570 -0.065 0.000 2.233 393 I HA -0.223 3.946 4.170 -0.000 0.000 0.243 393 I C 1.930 177.830 176.117 -0.362 0.000 1.093 393 I CA 1.070 62.197 61.300 -0.289 0.000 1.380 393 I CB -0.180 37.511 38.000 -0.516 0.000 1.067 393 I HN 0.026 nan 8.210 nan 0.000 0.413 394 F N 0.177 120.124 119.950 -0.005 0.000 2.505 394 F HA 0.336 4.863 4.527 -0.000 0.000 0.289 394 F C 1.622 177.424 175.800 0.003 0.000 1.101 394 F CA 0.641 58.636 58.000 -0.007 0.000 1.446 394 F CB -0.573 38.420 39.000 -0.012 0.000 1.123 394 F HN 0.146 nan 8.300 nan 0.000 0.564 395 G N 0.742 109.647 108.800 0.175 0.000 2.642 395 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.231 395 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.231 395 G C 0.192 175.164 174.900 0.120 0.000 1.338 395 G CA 0.133 45.302 45.100 0.116 0.000 0.883 395 G HN 0.145 nan 8.290 nan 0.000 0.570 396 D N 0.523 120.975 120.400 0.088 0.000 2.183 396 D HA 0.069 4.709 4.640 -0.000 0.000 0.203 396 D C 0.980 177.320 176.300 0.065 0.000 0.969 396 D CA 1.234 55.278 54.000 0.074 0.000 0.842 396 D CB -0.122 40.719 40.800 0.069 0.000 0.957 396 D HN 0.364 nan 8.370 nan 0.000 0.484 397 D N 0.747 121.190 120.400 0.072 0.000 2.608 397 D HA 0.462 5.102 4.640 -0.000 0.000 0.224 397 D C -0.409 175.908 176.300 0.029 0.000 1.123 397 D CA 0.131 54.161 54.000 0.051 0.000 1.030 397 D CB 0.061 40.895 40.800 0.057 0.000 1.093 397 D HN 0.026 nan 8.370 nan 0.000 0.497 398 A N 0.234 123.042 122.820 -0.020 0.000 2.608 398 A HA 0.498 4.818 4.320 -0.000 0.000 0.292 398 A C -1.131 176.360 177.584 -0.155 0.000 1.066 398 A CA -0.759 51.201 52.037 -0.130 0.000 0.676 398 A CB 1.431 20.314 19.000 -0.195 0.000 1.277 398 A HN 0.372 nan 8.150 nan 0.000 0.413 399 C N 2.135 121.289 119.300 -0.243 0.000 2.303 399 C HA 0.760 5.220 4.460 -0.000 0.000 0.326 399 C C -0.641 174.209 174.990 -0.233 0.000 1.285 399 C CA -0.536 58.385 59.018 -0.163 0.000 1.675 399 C CB -1.097 26.550 27.740 -0.154 0.000 2.289 399 C HN 0.639 nan 8.230 nan 0.000 0.512 400 L N 6.668 127.811 121.223 -0.133 0.000 2.287 400 L HA 0.500 4.840 4.340 -0.000 0.000 0.287 400 L C -0.103 176.635 176.870 -0.220 0.000 1.022 400 L CA -0.099 54.609 54.840 -0.220 0.000 0.814 400 L CB 1.051 43.100 42.059 -0.018 0.000 1.217 400 L HN 0.629 nan 8.230 nan 0.000 0.420 401 Q N 3.541 123.060 119.800 -0.467 0.000 2.316 401 Q HA 0.521 4.861 4.340 -0.000 0.000 0.264 401 Q C -1.460 174.189 176.000 -0.585 0.000 0.987 401 Q CA -0.444 55.164 55.803 -0.325 0.000 0.852 401 Q CB 2.442 31.072 28.738 -0.180 0.000 1.287 401 Q HN 0.434 nan 8.270 nan 0.000 0.448 402 F N 0.993 120.922 119.950 -0.035 0.000 2.552 402 F HA 0.330 4.857 4.527 -0.000 0.000 0.369 402 F C 0.903 176.686 175.800 -0.028 0.000 1.112 402 F CA -0.682 57.295 58.000 -0.038 0.000 1.129 402 F CB 1.171 40.150 39.000 -0.034 0.000 1.360 402 F HN 0.745 nan 8.300 nan 0.000 0.473 403 G N 1.447 110.291 108.800 0.074 0.000 2.607 403 G HA2 0.018 3.978 3.960 -0.000 0.000 0.215 403 G HA3 0.018 3.978 3.960 -0.000 0.000 0.215 403 G C 1.799 176.747 174.900 0.081 0.000 1.275 403 G CA 0.641 45.778 45.100 0.061 0.000 0.842 403 G HN 0.719 nan 8.290 nan 0.000 0.555 404 G N 0.672 109.510 108.800 0.064 0.000 2.475 404 G HA2 0.020 3.980 3.960 -0.000 0.000 0.220 404 G HA3 0.020 3.980 3.960 -0.000 0.000 0.220 404 G C 1.675 176.612 174.900 0.062 0.000 1.125 404 G CA 1.399 46.551 45.100 0.085 0.000 0.755 404 G HN 0.725 nan 8.290 nan 0.000 0.565 405 G N -0.882 107.895 108.800 -0.038 0.000 2.679 405 G HA2 0.149 4.109 3.960 -0.000 0.000 0.212 405 G HA3 0.149 4.109 3.960 -0.000 0.000 0.212 405 G C 1.444 176.410 174.900 0.110 0.000 1.137 405 G CA 1.555 46.524 45.100 -0.218 0.000 0.787 405 G HN 0.423 nan 8.290 nan 0.000 0.534 406 T N 0.178 114.846 114.554 0.190 0.000 3.138 406 T HA 0.099 4.449 4.350 -0.000 0.000 0.245 406 T C 1.951 176.776 174.700 0.208 0.000 0.982 406 T CA -0.100 62.111 62.100 0.184 0.000 1.134 406 T CB -0.025 68.905 68.868 0.104 0.000 1.032 406 T HN 0.056 nan 8.240 nan 0.000 0.442 407 L N 1.581 122.903 121.223 0.165 0.000 2.552 407 L HA 0.275 4.615 4.340 -0.000 0.000 0.227 407 L C 2.245 179.236 176.870 0.202 0.000 1.146 407 L CA 0.777 55.702 54.840 0.141 0.000 0.858 407 L CB -0.247 41.860 42.059 0.080 0.000 0.969 407 L HN 0.364 nan 8.230 nan 0.000 0.451 408 G N -2.997 105.998 108.800 0.325 0.000 3.088 408 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.217 408 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.217 408 G C 0.552 175.665 174.900 0.355 0.000 1.159 408 G CA -0.288 45.059 45.100 0.413 0.000 0.760 408 G HN 0.282 nan 8.290 nan 0.000 0.550 409 H N 1.998 121.215 119.070 0.245 0.000 2.848 409 H HA 0.078 4.633 4.556 -0.000 0.000 0.341 409 H C -1.046 174.240 175.328 -0.070 0.000 1.060 409 H CA -1.066 54.973 56.048 -0.016 0.000 1.444 409 H CB 2.009 31.783 29.762 0.021 0.000 1.446 409 H HN 0.017 nan 8.280 nan 0.000 0.583 410 P HA -0.144 nan 4.420 nan 0.000 0.221 410 P C 0.694 178.192 177.300 0.330 0.000 1.145 410 P CA 1.127 64.183 63.100 -0.072 0.000 0.795 410 P CB 0.085 31.641 31.700 -0.240 0.000 0.775 411 W N 0.183 121.650 121.300 0.279 0.000 3.220 411 W HA 0.499 5.159 4.660 -0.000 0.000 0.328 411 W C 1.133 177.707 176.519 0.091 0.000 1.205 411 W CA 0.461 57.908 57.345 0.171 0.000 1.773 411 W CB -0.631 28.928 29.460 0.164 0.000 1.086 411 W HN 0.060 nan 8.180 nan 0.000 0.622 412 G N 0.870 109.853 108.800 0.304 0.000 2.483 412 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.521 412 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.521 412 G C 0.613 175.550 174.900 0.062 0.000 1.278 412 G CA -0.173 45.014 45.100 0.144 0.000 0.965 412 G HN -0.041 nan 8.290 nan 0.000 0.504 413 N N -0.015 118.694 118.700 0.014 0.000 2.106 413 N HA 0.048 4.788 4.740 -0.000 0.000 0.188 413 N C 2.725 178.183 175.510 -0.088 0.000 1.029 413 N CA 2.528 55.562 53.050 -0.028 0.000 0.848 413 N CB -0.692 37.769 38.487 -0.042 0.000 1.007 413 N HN 1.072 nan 8.380 nan 0.000 0.423 414 A N 1.421 124.177 122.820 -0.107 0.000 1.877 414 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 414 A C -0.220 177.279 177.584 -0.142 0.000 1.186 414 A CA 1.309 53.267 52.037 -0.132 0.000 0.620 414 A CB -1.502 17.414 19.000 -0.139 0.000 0.822 414 A HN 0.228 nan 8.150 nan 0.000 0.443 415 P HA -0.064 nan 4.420 nan 0.000 0.217 415 P C 1.731 178.684 177.300 -0.578 0.000 1.150 415 P CA 1.613 64.548 63.100 -0.274 0.000 0.832 415 P CB -0.328 31.285 31.700 -0.144 0.000 0.787 416 G N 0.297 108.745 108.800 -0.586 0.000 2.446 416 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 416 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 416 G C 1.666 176.465 174.900 -0.168 0.000 1.168 416 G CA 1.021 45.909 45.100 -0.353 0.000 0.771 416 G HN 0.314 nan 8.290 nan 0.000 0.551 417 A N 1.228 123.964 122.820 -0.140 0.000 1.877 417 A HA 0.249 4.569 4.320 -0.000 0.000 0.216 417 A C 2.850 180.361 177.584 -0.122 0.000 1.186 417 A CA 2.371 54.343 52.037 -0.108 0.000 0.620 417 A CB -0.909 18.035 19.000 -0.094 0.000 0.822 417 A HN 0.852 nan 8.150 nan 0.000 0.443 418 A N -0.099 122.642 122.820 -0.133 0.000 1.908 418 A HA 0.097 4.417 4.320 -0.000 0.000 0.218 418 A C 2.516 180.036 177.584 -0.106 0.000 1.181 418 A CA 2.317 54.291 52.037 -0.104 0.000 0.627 418 A CB -1.069 17.875 19.000 -0.095 0.000 0.818 418 A HN 1.107 nan 8.150 nan 0.000 0.445 419 A N 0.224 122.955 122.820 -0.148 0.000 1.877 419 A HA -0.240 4.079 4.320 -0.000 0.000 0.216 419 A C 1.900 179.398 177.584 -0.143 0.000 1.186 419 A CA 1.879 53.844 52.037 -0.121 0.000 0.620 419 A CB -0.892 18.061 19.000 -0.079 0.000 0.822 419 A HN 0.716 nan 8.150 nan 0.000 0.443 420 N N -1.242 117.337 118.700 -0.202 0.000 2.188 420 N HA -0.162 4.578 4.740 -0.000 0.000 0.184 420 N C 1.966 177.351 175.510 -0.209 0.000 1.018 420 N CA 1.319 54.167 53.050 -0.337 0.000 0.858 420 N CB -0.117 38.067 38.487 -0.504 0.000 0.989 420 N HN 0.429 nan 8.380 nan 0.000 0.426 421 R N 1.105 121.530 120.500 -0.125 0.000 2.073 421 R HA 0.024 4.364 4.340 -0.000 0.000 0.229 421 R C 1.764 178.044 176.300 -0.034 0.000 1.120 421 R CA 0.973 57.033 56.100 -0.066 0.000 0.967 421 R CB -0.743 29.527 30.300 -0.050 0.000 0.862 421 R HN -0.009 nan 8.270 nan 0.000 0.436 422 V N 1.064 120.969 119.914 -0.014 0.000 2.287 422 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 422 V C 2.371 178.468 176.094 0.005 0.000 1.053 422 V CA 2.078 64.406 62.300 0.046 0.000 1.027 422 V CB -1.041 30.852 31.823 0.117 0.000 0.646 422 V HN 0.549 nan 8.190 nan 0.000 0.447 423 A N -0.241 122.548 122.820 -0.051 0.000 1.902 423 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 423 A C 2.174 179.733 177.584 -0.043 0.000 1.181 423 A CA 2.201 54.194 52.037 -0.073 0.000 0.623 423 A CB -0.616 18.302 19.000 -0.138 0.000 0.818 423 A HN 0.471 nan 8.150 nan 0.000 0.443 424 L N 0.114 121.313 121.223 -0.041 0.000 2.017 424 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 424 L C 2.190 179.062 176.870 0.003 0.000 1.073 424 L CA 2.538 57.377 54.840 -0.001 0.000 0.745 424 L CB -0.696 41.369 42.059 0.009 0.000 0.894 424 L HN 0.523 nan 8.230 nan 0.000 0.432 425 E N -0.367 119.830 120.200 -0.006 0.000 2.106 425 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 425 E C 2.167 178.753 176.600 -0.022 0.000 0.984 425 E CA 1.006 57.401 56.400 -0.009 0.000 0.806 425 E CB -0.309 29.385 29.700 -0.009 0.000 0.750 425 E HN 0.669 nan 8.360 nan 0.000 0.458 426 A N 1.047 123.850 122.820 -0.029 0.000 1.883 426 A HA -0.224 4.095 4.320 -0.000 0.000 0.217 426 A C 2.470 180.040 177.584 -0.024 0.000 1.186 426 A CA 1.424 53.435 52.037 -0.043 0.000 0.624 426 A CB -0.960 18.017 19.000 -0.039 0.000 0.822 426 A HN 0.361 nan 8.150 nan 0.000 0.444 427 C N -1.213 118.084 119.300 -0.006 0.000 2.446 427 C HA -0.060 4.400 4.460 -0.000 0.000 0.277 427 C C 3.059 178.058 174.990 0.016 0.000 1.275 427 C CA 1.481 60.507 59.018 0.013 0.000 1.727 427 C CB -1.504 26.256 27.740 0.032 0.000 2.010 427 C HN 0.661 nan 8.230 nan 0.000 0.486 428 T N 0.121 114.684 114.554 0.014 0.000 2.708 428 T HA -0.256 4.094 4.350 -0.000 0.000 0.266 428 T C 1.877 176.580 174.700 0.005 0.000 1.037 428 T CA 1.674 63.784 62.100 0.017 0.000 1.146 428 T CB -0.412 68.467 68.868 0.019 0.000 0.865 428 T HN 0.651 nan 8.240 nan 0.000 0.435 429 Q N 0.624 120.418 119.800 -0.011 0.000 2.061 429 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 429 Q C 2.527 178.516 176.000 -0.018 0.000 0.984 429 Q CA 1.642 57.432 55.803 -0.022 0.000 0.846 429 Q CB -0.325 28.385 28.738 -0.047 0.000 0.902 429 Q HN 0.538 nan 8.270 nan 0.000 0.421 430 A N 1.397 124.208 122.820 -0.016 0.000 1.883 430 A HA -0.239 4.080 4.320 -0.000 0.000 0.217 430 A C 2.159 179.744 177.584 0.001 0.000 1.186 430 A CA 1.625 53.656 52.037 -0.009 0.000 0.624 430 A CB -0.786 18.211 19.000 -0.004 0.000 0.822 430 A HN 0.420 nan 8.150 nan 0.000 0.444 431 R N 0.082 120.587 120.500 0.009 0.000 2.083 431 R HA -0.173 4.167 4.340 -0.000 0.000 0.237 431 R C 1.911 178.217 176.300 0.010 0.000 1.137 431 R CA 1.982 58.090 56.100 0.014 0.000 0.951 431 R CB -0.591 29.723 30.300 0.023 0.000 0.851 431 R HN 0.753 nan 8.270 nan 0.000 0.434 432 N N 0.080 118.784 118.700 0.007 0.000 2.205 432 N HA -0.160 4.580 4.740 -0.000 0.000 0.186 432 N C 1.097 176.607 175.510 -0.001 0.000 1.015 432 N CA 1.046 54.098 53.050 0.004 0.000 0.862 432 N CB -0.020 38.468 38.487 0.002 0.000 0.986 432 N HN 0.425 nan 8.380 nan 0.000 0.429 433 E N -0.336 119.862 120.200 -0.004 0.000 2.502 433 E HA 0.029 4.379 4.350 -0.000 0.000 0.194 433 E C 0.937 177.535 176.600 -0.003 0.000 1.062 433 E CA 0.129 56.525 56.400 -0.007 0.000 0.867 433 E CB 0.292 29.984 29.700 -0.014 0.000 0.888 433 E HN 0.468 nan 8.360 nan 0.000 0.510 434 G N 1.685 110.486 108.800 0.001 0.000 2.163 434 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.213 434 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.213 434 G C 0.161 175.065 174.900 0.005 0.000 0.991 434 G CA -0.456 44.645 45.100 0.003 0.000 0.653 434 G HN 0.064 nan 8.290 nan 0.000 0.518 435 R N 0.601 121.105 120.500 0.006 0.000 2.539 435 R HA 0.337 4.677 4.340 -0.000 0.000 0.275 435 R C -0.767 175.542 176.300 0.014 0.000 1.077 435 R CA -0.375 55.731 56.100 0.009 0.000 1.097 435 R CB 0.699 31.005 30.300 0.009 0.000 1.018 435 R HN 0.200 nan 8.270 nan 0.000 0.483 436 D N 3.322 123.732 120.400 0.016 0.000 2.411 436 D HA 0.067 4.707 4.640 -0.000 0.000 0.225 436 D C 1.107 177.423 176.300 0.026 0.000 1.156 436 D CA -0.167 53.845 54.000 0.019 0.000 0.874 436 D CB 0.700 41.510 40.800 0.016 0.000 1.034 436 D HN 0.416 nan 8.370 nan 0.000 0.502 437 L N 3.039 124.280 121.223 0.030 0.000 2.131 437 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 437 L C 2.340 179.239 176.870 0.048 0.000 1.092 437 L CA 1.119 55.985 54.840 0.042 0.000 0.759 437 L CB -0.284 41.803 42.059 0.047 0.000 0.903 437 L HN 0.458 nan 8.230 nan 0.000 0.435 438 A N -0.270 122.572 122.820 0.037 0.000 1.972 438 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 438 A C 2.372 179.979 177.584 0.038 0.000 1.169 438 A CA 1.331 53.389 52.037 0.036 0.000 0.635 438 A CB -0.229 18.784 19.000 0.022 0.000 0.810 438 A HN 0.276 nan 8.150 nan 0.000 0.446 439 R N -0.789 119.732 120.500 0.034 0.000 2.146 439 R HA 0.114 4.454 4.340 -0.000 0.000 0.206 439 R C 0.937 177.262 176.300 0.041 0.000 1.049 439 R CA 1.087 57.207 56.100 0.033 0.000 1.029 439 R CB -0.219 30.096 30.300 0.024 0.000 0.949 439 R HN 0.669 nan 8.270 nan 0.000 0.471 440 E N -0.173 120.053 120.200 0.043 0.000 2.498 440 E HA 0.141 4.491 4.350 -0.000 0.000 0.203 440 E C 1.499 178.136 176.600 0.062 0.000 1.013 440 E CA 0.120 56.548 56.400 0.047 0.000 0.927 440 E CB 0.631 30.352 29.700 0.034 0.000 1.012 440 E HN 0.282 nan 8.360 nan 0.000 0.482 441 G N 1.684 110.528 108.800 0.073 0.000 2.529 441 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.219 441 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.219 441 G C 1.520 176.497 174.900 0.128 0.000 1.177 441 G CA 1.016 46.172 45.100 0.094 0.000 0.773 441 G HN 0.395 nan 8.290 nan 0.000 0.573 442 G N 0.652 109.548 108.800 0.159 0.000 2.440 442 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.218 442 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.218 442 G C 1.507 176.522 174.900 0.192 0.000 1.154 442 G CA 1.415 46.655 45.100 0.234 0.000 0.767 442 G HN 0.355 nan 8.290 nan 0.000 0.552 443 D N 0.178 120.650 120.400 0.119 0.000 2.097 443 D HA -0.095 4.545 4.640 -0.000 0.000 0.195 443 D C 2.830 179.169 176.300 0.066 0.000 0.989 443 D CA 0.928 54.980 54.000 0.087 0.000 0.827 443 D CB -0.545 40.291 40.800 0.060 0.000 0.966 443 D HN 0.203 nan 8.370 nan 0.000 0.456 444 V N 1.576 121.522 119.914 0.052 0.000 2.287 444 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 444 V C 2.483 178.579 176.094 0.002 0.000 1.053 444 V CA 1.079 63.393 62.300 0.023 0.000 1.027 444 V CB -0.277 31.559 31.823 0.021 0.000 0.646 444 V HN 0.183 nan 8.190 nan 0.000 0.447 445 I N -0.203 120.363 120.570 -0.005 0.000 2.202 445 I HA -0.163 4.006 4.170 -0.000 0.000 0.242 445 I C 2.666 178.707 176.117 -0.128 0.000 1.091 445 I CA 1.562 62.786 61.300 -0.128 0.000 1.368 445 I CB -1.200 36.637 38.000 -0.273 0.000 1.058 445 I HN 0.307 nan 8.210 nan 0.000 0.410 446 R N 0.270 120.776 120.500 0.010 0.000 2.091 446 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 446 R C 2.467 178.799 176.300 0.052 0.000 1.136 446 R CA 1.758 57.903 56.100 0.075 0.000 0.959 446 R CB -0.275 30.124 30.300 0.166 0.000 0.856 446 R HN 0.282 nan 8.270 nan 0.000 0.437 447 S N 0.451 116.180 115.700 0.048 0.000 2.382 447 S HA -0.133 4.337 4.470 -0.000 0.000 0.228 447 S C 1.992 176.642 174.600 0.084 0.000 1.027 447 S CA 1.231 59.464 58.200 0.055 0.000 0.991 447 S CB -0.085 63.133 63.200 0.029 0.000 0.823 447 S HN 0.483 nan 8.310 nan 0.000 0.469 448 A N 0.715 123.567 122.820 0.054 0.000 1.897 448 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 448 A C 2.377 180.029 177.584 0.114 0.000 1.181 448 A CA 1.403 53.506 52.037 0.111 0.000 0.620 448 A CB -1.189 17.833 19.000 0.037 0.000 0.821 448 A HN 0.657 nan 8.150 nan 0.000 0.443 449 c N -0.188 118.408 118.600 -0.007 0.000 2.422 449 c HA -0.060 4.510 4.570 -0.000 0.000 0.279 449 c C 2.532 176.633 174.090 0.018 0.000 1.305 449 c CA 1.054 57.359 56.329 -0.040 0.000 1.757 449 c CB -1.177 41.273 42.510 -0.100 0.000 1.962 449 c HN 0.573 nan 8.230 nan 0.000 0.499 450 K N -0.633 119.808 120.400 0.068 0.000 2.148 450 K HA -0.174 4.146 4.320 -0.000 0.000 0.204 450 K C 1.834 178.507 176.600 0.122 0.000 1.050 450 K CA 1.647 57.985 56.287 0.086 0.000 0.942 450 K CB -0.162 32.397 32.500 0.097 0.000 0.724 450 K HN 0.749 nan 8.250 nan 0.000 0.446 451 W N 1.056 122.348 121.300 -0.014 0.000 2.539 451 W HA 0.092 4.752 4.660 -0.000 0.000 0.281 451 W C 0.505 177.022 176.519 -0.004 0.000 1.220 451 W CA 0.369 57.709 57.345 -0.008 0.000 1.332 451 W CB 0.354 29.806 29.460 -0.013 0.000 1.095 451 W HN -0.261 nan 8.180 nan 0.000 0.571 452 S N 0.967 116.544 115.700 -0.206 0.000 2.438 452 S HA 0.310 4.779 4.470 -0.000 0.000 0.316 452 S C -1.597 172.880 174.600 -0.204 0.000 1.084 452 S CA -1.573 56.381 58.200 -0.411 0.000 1.107 452 S CB 1.354 64.431 63.200 -0.205 0.000 0.981 452 S HN -0.143 nan 8.310 nan 0.000 0.466 453 P HA -0.043 nan 4.420 nan 0.000 0.217 453 P C 0.882 178.125 177.300 -0.095 0.000 1.150 453 P CA 0.970 64.071 63.100 0.002 0.000 0.832 453 P CB 0.208 32.007 31.700 0.165 0.000 0.787 454 E N -0.528 119.619 120.200 -0.088 0.000 2.051 454 E HA -0.161 4.188 4.350 -0.000 0.000 0.192 454 E C 1.859 178.335 176.600 -0.206 0.000 0.991 454 E CA 0.856 57.121 56.400 -0.226 0.000 0.799 454 E CB -1.317 28.314 29.700 -0.115 0.000 0.748 454 E HN 0.096 nan 8.360 nan 0.000 0.449 455 L N 0.492 121.625 121.223 -0.150 0.000 2.046 455 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 455 L C 2.035 178.796 176.870 -0.181 0.000 1.077 455 L CA 2.027 56.786 54.840 -0.135 0.000 0.747 455 L CB -0.963 41.036 42.059 -0.098 0.000 0.896 455 L HN 0.120 nan 8.230 nan 0.000 0.432 456 A N -0.334 122.380 122.820 -0.175 0.000 1.883 456 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 456 A C 2.482 179.922 177.584 -0.241 0.000 1.186 456 A CA 2.126 54.069 52.037 -0.157 0.000 0.624 456 A CB -1.270 17.674 19.000 -0.093 0.000 0.822 456 A HN 0.584 nan 8.150 nan 0.000 0.444 457 A N -0.266 122.298 122.820 -0.426 0.000 1.908 457 A HA 0.101 4.421 4.320 -0.000 0.000 0.218 457 A C 2.517 179.694 177.584 -0.679 0.000 1.181 457 A CA 2.361 53.999 52.037 -0.665 0.000 0.627 457 A CB -1.037 17.155 19.000 -1.345 0.000 0.818 457 A HN 1.105 nan 8.150 nan 0.000 0.445 458 A N -0.861 121.642 122.820 -0.529 0.000 1.873 458 A HA -0.153 4.167 4.320 -0.000 0.000 0.215 458 A C 2.327 179.805 177.584 -0.176 0.000 1.186 458 A CA 1.631 53.444 52.037 -0.372 0.000 0.616 458 A CB -1.370 17.661 19.000 0.052 0.000 0.823 458 A HN 0.632 nan 8.150 nan 0.000 0.442 459 c N -0.662 117.859 118.600 -0.132 0.000 2.401 459 c HA -0.123 4.446 4.570 -0.000 0.000 0.276 459 c C 2.685 176.939 174.090 0.273 0.000 1.233 459 c CA 1.246 57.613 56.329 0.063 0.000 1.753 459 c CB -1.158 41.289 42.510 -0.105 0.000 2.029 459 c HN 0.654 nan 8.230 nan 0.000 0.478 460 E N 0.738 120.935 120.200 -0.006 0.000 2.051 460 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 460 E C 2.241 178.746 176.600 -0.159 0.000 0.991 460 E CA 1.298 57.663 56.400 -0.059 0.000 0.799 460 E CB -0.163 29.459 29.700 -0.130 0.000 0.748 460 E HN 0.487 nan 8.360 nan 0.000 0.449 461 V N -0.153 119.534 119.914 -0.377 0.000 2.427 461 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 461 V C 1.591 177.386 176.094 -0.497 0.000 1.051 461 V CA 1.327 63.265 62.300 -0.603 0.000 1.048 461 V CB -0.329 30.811 31.823 -1.139 0.000 0.666 461 V HN 0.375 nan 8.190 nan 0.000 0.456 462 W N -0.394 120.834 121.300 -0.119 0.000 2.991 462 W HA 0.334 4.994 4.660 -0.000 0.000 0.391 462 W C 1.853 178.232 176.519 -0.234 0.000 1.054 462 W CA -0.872 56.308 57.345 -0.275 0.000 1.856 462 W CB -0.293 28.788 29.460 -0.631 0.000 1.132 462 W HN 0.266 nan 8.180 nan 0.000 0.601 463 K N 1.324 121.754 120.400 0.049 0.000 2.059 463 K HA -0.215 4.105 4.320 -0.000 0.000 0.212 463 K C 1.266 177.659 176.600 -0.345 0.000 1.050 463 K CA 1.767 57.888 56.287 -0.278 0.000 0.927 463 K CB 0.248 32.638 32.500 -0.182 0.000 0.714 463 K HN -0.123 nan 8.250 nan 0.000 0.447 464 E N 0.329 120.422 120.200 -0.178 0.000 2.479 464 E HA 0.022 4.372 4.350 -0.000 0.000 0.193 464 E C -0.118 176.414 176.600 -0.114 0.000 1.049 464 E CA 0.115 56.421 56.400 -0.155 0.000 0.870 464 E CB 0.359 29.988 29.700 -0.118 0.000 0.944 464 E HN 0.253 nan 8.360 nan 0.000 0.492 465 I N 2.037 122.567 120.570 -0.067 0.000 2.301 465 I HA 0.193 4.363 4.170 -0.000 0.000 0.292 465 I C 0.351 176.463 176.117 -0.010 0.000 1.046 465 I CA -0.081 61.186 61.300 -0.055 0.000 1.282 465 I CB 0.150 38.164 38.000 0.024 0.000 1.409 465 I HN -0.273 nan 8.210 nan 0.000 0.484 466 K N 5.614 125.883 120.400 -0.219 0.000 2.482 466 K HA 0.620 4.940 4.320 -0.000 0.000 0.257 466 K C -1.421 174.945 176.600 -0.391 0.000 0.969 466 K CA -0.583 55.629 56.287 -0.125 0.000 0.842 466 K CB 2.545 35.015 32.500 -0.049 0.000 1.359 466 K HN 0.151 nan 8.250 nan 0.000 0.441 467 F N 1.559 121.593 119.950 0.141 0.000 2.552 467 F HA 0.297 4.824 4.527 -0.000 0.000 0.369 467 F C -0.487 175.365 175.800 0.087 0.000 1.112 467 F CA -0.527 57.568 58.000 0.158 0.000 1.129 467 F CB 1.439 40.571 39.000 0.219 0.000 1.360 467 F HN 0.295 nan 8.300 nan 0.000 0.473 468 E N 3.623 123.793 120.200 -0.050 0.000 2.235 468 E HA 0.552 4.902 4.350 -0.000 0.000 0.252 468 E C -1.277 175.107 176.600 -0.360 0.000 0.886 468 E CA -0.448 55.895 56.400 -0.096 0.000 0.767 468 E CB 1.784 31.421 29.700 -0.105 0.000 1.205 468 E HN 0.310 nan 8.360 nan 0.000 0.421 469 F N 0.339 120.337 119.950 0.079 0.000 2.643 469 F HA 0.209 4.736 4.527 -0.000 0.000 0.314 469 F C 0.062 175.893 175.800 0.050 0.000 1.096 469 F CA -1.189 56.849 58.000 0.063 0.000 0.953 469 F CB 1.410 40.453 39.000 0.072 0.000 1.345 469 F HN 0.237 nan 8.300 nan 0.000 0.468 470 D N 0.821 121.377 120.400 0.259 0.000 2.450 470 D HA 0.144 4.783 4.640 -0.000 0.000 0.247 470 D C -0.498 175.885 176.300 0.138 0.000 1.162 470 D CA 0.445 54.537 54.000 0.153 0.000 0.879 470 D CB 0.764 41.636 40.800 0.121 0.000 1.163 470 D HN 0.410 nan 8.370 nan 0.000 0.472 471 T N 5.910 120.528 114.554 0.107 0.000 2.761 471 T HA 0.103 4.453 4.350 -0.000 0.000 0.296 471 T C 1.491 176.237 174.700 0.077 0.000 0.934 471 T CA -0.751 61.404 62.100 0.092 0.000 1.091 471 T CB 0.745 69.664 68.868 0.086 0.000 0.896 471 T HN 0.294 nan 8.240 nan 0.000 0.515 472 I N 1.853 122.463 120.570 0.067 0.000 2.206 472 I HA -0.008 4.162 4.170 -0.000 0.000 0.239 472 I C 1.508 177.670 176.117 0.076 0.000 1.078 472 I CA 0.992 62.328 61.300 0.059 0.000 1.367 472 I CB -0.749 37.274 38.000 0.038 0.000 1.078 472 I HN 0.573 nan 8.210 nan 0.000 0.413 473 D N 2.905 123.357 120.400 0.087 0.000 2.600 473 D HA 0.034 4.674 4.640 -0.000 0.000 0.226 473 D C 0.091 176.480 176.300 0.148 0.000 1.119 473 D CA 0.186 54.263 54.000 0.127 0.000 1.051 473 D CB -0.296 40.582 40.800 0.130 0.000 1.106 473 D HN 0.112 nan 8.370 nan 0.000 0.491 474 K N 1.513 121.984 120.400 0.119 0.000 2.118 474 K HA 0.296 4.616 4.320 -0.000 0.000 0.264 474 K C 0.704 177.371 176.600 0.113 0.000 1.000 474 K CA -0.833 55.516 56.287 0.103 0.000 0.929 474 K CB 1.494 34.038 32.500 0.074 0.000 1.021 474 K HN 0.258 nan 8.250 nan 0.000 0.463 475 L N 0.000 121.277 121.223 0.091 0.000 2.949 475 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 475 L CA 0.000 54.885 54.840 0.076 0.000 0.813 475 L CB 0.000 42.079 42.059 0.033 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502