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 3ef7_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKTEEGKLVI WINGDKGYNG LAEVGKKFEK DTGIKVTVEH PDKLEEKFPQ DATA SEQUENCE VAATGDGPDI IFWAHDRFGG YAQSGLLAEI TPDKAFQDKL YPFTWDAVRY DATA SEQUENCE NGKLIAYPIA VEALSLIYNK DLLPNPPKTW EEIPALDKEL KAKGKSALMF DATA SEQUENCE NLQEPYFTWP LIAADGGYAF KYENGKYDIK DVGVDNAGAK AGLTFLVDLI DATA SEQUENCE KNKHMNADTD YSIAEAAFNK GETAMTINGP WAWSNIDTSK VNYGVTVLPT DATA SEQUENCE FKGQPSKPFV GVLSAGINAA SPNKELAKEF LENYLLTDEG LEAVNKDKPL DATA SEQUENCE GAVALKSYEE ELAKDPRIAA TMENAQKGEI MPNIPQMSAF WYAVRTAVIN DATA SEQUENCE AASGRQTVDA ALAAAQTNAA AVKVEcLEAE LVVTVSRDLF GTGKLVQPGD DATA SEQUENCE LTLGSEGcQP RVSVDTDVVR FNAQLHEcSS RVQMTKDALV YSTFLLHDXX DATA SEQUENCE XXXXXXXXXX XRVEVPIEcR YPRLEHHHHH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.281 176.300 -0.032 0.000 1.140 1 M CA 0.000 55.273 55.300 -0.045 0.000 0.988 1 M CB 0.000 32.566 32.600 -0.056 0.000 1.302 2 K N 1.170 121.550 120.400 -0.033 0.000 2.057 2 K HA -0.007 4.313 4.320 -0.001 0.000 0.207 2 K C 0.747 177.331 176.600 -0.027 0.000 1.049 2 K CA 1.592 57.875 56.287 -0.006 0.000 0.931 2 K CB 0.023 32.532 32.500 0.015 0.000 0.714 2 K HN 0.721 nan 8.250 nan 0.000 0.440 3 T N 1.637 116.152 114.554 -0.065 0.000 2.775 3 T HA 0.037 4.387 4.350 -0.001 0.000 0.281 3 T C -0.510 174.165 174.700 -0.042 0.000 0.908 3 T CA -0.160 61.901 62.100 -0.065 0.000 1.123 3 T CB -0.124 68.688 68.868 -0.093 0.000 0.879 3 T HN 0.186 nan 8.240 nan 0.000 0.547 4 E N 3.103 123.288 120.200 -0.026 0.000 2.302 4 E HA 0.361 4.711 4.350 -0.001 0.000 0.255 4 E C -0.372 176.220 176.600 -0.014 0.000 1.099 4 E CA -0.828 55.562 56.400 -0.018 0.000 0.929 4 E CB 1.079 30.774 29.700 -0.009 0.000 1.203 4 E HN 0.623 nan 8.360 nan 0.000 0.459 5 E N -0.886 119.309 120.200 -0.009 0.000 2.216 5 E HA 0.345 4.695 4.350 -0.001 0.000 0.279 5 E C -0.049 176.553 176.600 0.003 0.000 0.997 5 E CA 0.235 56.633 56.400 -0.004 0.000 0.817 5 E CB 1.006 30.703 29.700 -0.005 0.000 1.096 5 E HN 0.647 nan 8.360 nan 0.000 0.393 6 G N 3.754 112.560 108.800 0.010 0.000 2.160 6 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.251 6 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.251 6 G C -0.051 174.862 174.900 0.022 0.000 1.008 6 G CA 0.953 46.063 45.100 0.016 0.000 0.724 6 G HN 0.510 nan 8.290 nan 0.000 0.514 7 K N -0.455 119.956 120.400 0.019 0.000 2.550 7 K HA 0.648 4.968 4.320 -0.001 0.000 0.252 7 K C -0.467 176.133 176.600 0.001 0.000 0.943 7 K CA -1.030 55.268 56.287 0.018 0.000 0.806 7 K CB 1.079 33.586 32.500 0.012 0.000 1.289 7 K HN 0.094 nan 8.250 nan 0.000 0.435 8 L N 3.942 125.159 121.223 -0.010 0.000 2.307 8 L HA 0.592 4.932 4.340 -0.001 0.000 0.282 8 L C -0.810 176.022 176.870 -0.064 0.000 1.051 8 L CA -1.157 53.642 54.840 -0.068 0.000 0.804 8 L CB 1.850 43.812 42.059 -0.162 0.000 1.197 8 L HN 0.377 nan 8.230 nan 0.000 0.431 9 V N 4.858 124.737 119.914 -0.059 0.000 2.525 9 V HA 0.469 4.589 4.120 -0.001 0.000 0.299 9 V C -0.249 175.853 176.094 0.012 0.000 1.034 9 V CA -0.354 61.946 62.300 -0.000 0.000 0.863 9 V CB 1.942 33.775 31.823 0.017 0.000 0.999 9 V HN 0.502 nan 8.190 nan 0.000 0.423 10 I N 3.535 124.169 120.570 0.105 0.000 2.474 10 I HA 0.511 4.681 4.170 -0.001 0.000 0.294 10 I C -1.169 175.219 176.117 0.451 0.000 1.005 10 I CA -0.403 61.017 61.300 0.200 0.000 1.113 10 I CB 2.192 40.280 38.000 0.147 0.000 1.289 10 I HN 0.482 nan 8.210 nan 0.000 0.436 11 W N 7.082 128.465 121.300 0.139 0.000 2.417 11 W HA 0.663 5.322 4.660 -0.001 0.000 0.315 11 W C -0.477 176.169 176.519 0.211 0.000 1.045 11 W CA -0.916 56.504 57.345 0.125 0.000 1.221 11 W CB 1.246 30.758 29.460 0.087 0.000 1.309 11 W HN 0.192 nan 8.180 nan 0.000 0.453 12 I N 3.507 124.264 120.570 0.312 0.000 2.730 12 I HA 0.292 4.462 4.170 -0.001 0.000 0.298 12 I C -0.097 176.126 176.117 0.177 0.000 1.089 12 I CA -0.987 60.452 61.300 0.232 0.000 1.041 12 I CB 1.670 39.651 38.000 -0.032 0.000 1.235 12 I HN 0.250 nan 8.210 nan 0.000 0.423 13 N N 3.716 122.540 118.700 0.206 0.000 2.454 13 N HA 0.095 4.834 4.740 -0.001 0.000 0.254 13 N C 1.131 176.653 175.510 0.021 0.000 1.228 13 N CA 1.233 54.373 53.050 0.151 0.000 0.900 13 N CB 1.484 40.023 38.487 0.086 0.000 1.089 13 N HN 0.752 nan 8.380 nan 0.000 0.449 14 G N 2.004 110.802 108.800 -0.003 0.000 2.475 14 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.220 14 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.220 14 G C 0.934 175.833 174.900 -0.001 0.000 1.125 14 G CA 1.334 46.403 45.100 -0.051 0.000 0.755 14 G HN 0.868 nan 8.290 nan 0.000 0.565 15 D N -0.091 120.234 120.400 -0.125 0.000 2.312 15 D HA 0.006 4.645 4.640 -0.001 0.000 0.211 15 D C 1.257 177.482 176.300 -0.125 0.000 0.964 15 D CA 0.453 54.350 54.000 -0.171 0.000 0.877 15 D CB 0.072 40.616 40.800 -0.427 0.000 0.924 15 D HN 0.056 nan 8.370 nan 0.000 0.515 16 K N 0.289 120.618 120.400 -0.118 0.000 2.273 16 K HA 0.438 4.758 4.320 -0.001 0.000 0.240 16 K C 0.952 177.510 176.600 -0.069 0.000 1.056 16 K CA -0.190 56.045 56.287 -0.087 0.000 0.910 16 K CB -0.013 32.420 32.500 -0.112 0.000 1.196 16 K HN 0.107 nan 8.250 nan 0.000 0.509 17 G N 1.629 110.371 108.800 -0.096 0.000 3.064 17 G HA2 0.190 4.150 3.960 -0.001 0.000 0.286 17 G HA3 0.190 4.150 3.960 -0.001 0.000 0.286 17 G C 0.735 175.523 174.900 -0.186 0.000 0.834 17 G CA -0.234 44.760 45.100 -0.177 0.000 1.856 17 G HN 0.562 nan 8.290 nan 0.000 0.559 18 Y N 0.951 121.173 120.300 -0.131 0.000 2.206 18 Y HA -0.028 4.522 4.550 -0.001 0.000 0.292 18 Y C 2.152 178.006 175.900 -0.076 0.000 1.123 18 Y CA 1.047 59.065 58.100 -0.138 0.000 1.142 18 Y CB -0.526 37.810 38.460 -0.207 0.000 1.006 18 Y HN 0.363 nan 8.280 nan 0.000 0.518 19 N N 0.778 119.336 118.700 -0.237 0.000 2.166 19 N HA -0.084 4.655 4.740 -0.001 0.000 0.186 19 N C 2.099 177.588 175.510 -0.035 0.000 1.019 19 N CA 1.465 54.477 53.050 -0.064 0.000 0.856 19 N CB -0.566 37.833 38.487 -0.146 0.000 0.993 19 N HN 0.585 nan 8.380 nan 0.000 0.426 20 G N 0.710 109.460 108.800 -0.083 0.000 2.408 20 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.217 20 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.217 20 G C 1.415 176.323 174.900 0.014 0.000 1.150 20 G CA 0.248 45.331 45.100 -0.030 0.000 0.776 20 G HN 0.174 nan 8.290 nan 0.000 0.542 21 L N 1.258 122.486 121.223 0.009 0.000 2.141 21 L HA 0.208 4.547 4.340 -0.001 0.000 0.209 21 L C 2.989 179.940 176.870 0.135 0.000 1.094 21 L CA 1.800 56.678 54.840 0.064 0.000 0.763 21 L CB -0.463 41.587 42.059 -0.015 0.000 0.908 21 L HN 0.218 nan 8.230 nan 0.000 0.437 22 A N -0.760 122.122 122.820 0.103 0.000 1.933 22 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 22 A C 2.125 179.787 177.584 0.131 0.000 1.175 22 A CA 1.720 53.829 52.037 0.119 0.000 0.628 22 A CB -0.513 18.552 19.000 0.110 0.000 0.814 22 A HN 0.604 nan 8.150 nan 0.000 0.444 23 E N -0.262 120.001 120.200 0.105 0.000 2.072 23 E HA -0.114 4.236 4.350 -0.001 0.000 0.191 23 E C 1.823 178.511 176.600 0.147 0.000 0.985 23 E CA 1.312 57.774 56.400 0.104 0.000 0.801 23 E CB -0.279 29.461 29.700 0.066 0.000 0.750 23 E HN 0.408 nan 8.360 nan 0.000 0.452 24 V N 0.997 121.008 119.914 0.161 0.000 2.759 24 V HA -0.146 3.973 4.120 -0.001 0.000 0.256 24 V C 2.193 178.523 176.094 0.393 0.000 1.080 24 V CA 1.676 64.100 62.300 0.207 0.000 1.101 24 V CB -0.880 31.016 31.823 0.121 0.000 0.698 24 V HN 0.381 nan 8.190 nan 0.000 0.477 25 G N 0.396 109.428 108.800 0.387 0.000 2.434 25 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.214 25 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.214 25 G C 1.626 176.726 174.900 0.333 0.000 1.202 25 G CA 0.735 46.063 45.100 0.380 0.000 0.788 25 G HN 0.463 nan 8.290 nan 0.000 0.539 26 K N 0.336 120.874 120.400 0.230 0.000 2.152 26 K HA -0.068 4.251 4.320 -0.001 0.000 0.206 26 K C 2.338 179.064 176.600 0.209 0.000 1.048 26 K CA 1.251 57.648 56.287 0.184 0.000 0.933 26 K CB -0.084 32.493 32.500 0.129 0.000 0.721 26 K HN 0.301 nan 8.250 nan 0.000 0.447 27 K N 0.098 120.648 120.400 0.250 0.000 2.442 27 K HA -0.115 4.205 4.320 -0.001 0.000 0.198 27 K C 1.403 178.272 176.600 0.448 0.000 1.042 27 K CA 0.777 57.231 56.287 0.277 0.000 0.958 27 K CB 0.030 32.669 32.500 0.232 0.000 0.766 27 K HN 0.073 nan 8.250 nan 0.000 0.474 28 F N 0.791 120.900 119.950 0.264 0.000 2.656 28 F HA 0.161 4.688 4.527 -0.001 0.000 0.291 28 F C 1.885 177.717 175.800 0.054 0.000 1.122 28 F CA 0.349 58.403 58.000 0.089 0.000 1.427 28 F CB 0.354 39.357 39.000 0.005 0.000 1.125 28 F HN 0.070 nan 8.300 nan 0.000 0.583 29 E N 0.098 120.392 120.200 0.157 0.000 2.076 29 E HA -0.118 4.232 4.350 -0.001 0.000 0.190 29 E C 1.723 178.326 176.600 0.006 0.000 0.979 29 E CA 0.640 57.066 56.400 0.044 0.000 0.807 29 E CB 0.109 29.864 29.700 0.091 0.000 0.761 29 E HN 0.027 nan 8.360 nan 0.000 0.454 30 K N 0.779 121.214 120.400 0.057 0.000 2.442 30 K HA -0.106 4.214 4.320 -0.001 0.000 0.198 30 K C 0.511 177.127 176.600 0.027 0.000 1.044 30 K CA 0.912 57.226 56.287 0.045 0.000 0.948 30 K CB 0.062 32.602 32.500 0.068 0.000 0.762 30 K HN 0.223 nan 8.250 nan 0.000 0.472 31 D N -1.230 119.175 120.400 0.008 0.000 2.454 31 D HA -0.020 4.620 4.640 -0.001 0.000 0.214 31 D C 1.234 177.458 176.300 -0.127 0.000 1.088 31 D CA 0.781 54.776 54.000 -0.007 0.000 0.855 31 D CB 0.744 41.625 40.800 0.135 0.000 1.025 31 D HN 0.276 nan 8.370 nan 0.000 0.502 32 T N -4.840 109.567 114.554 -0.245 0.000 3.131 32 T HA 0.383 4.733 4.350 -0.001 0.000 0.283 32 T C 1.704 176.294 174.700 -0.182 0.000 0.906 32 T CA 0.508 62.436 62.100 -0.287 0.000 0.882 32 T CB 0.763 69.279 68.868 -0.587 0.000 1.208 32 T HN 0.099 nan 8.240 nan 0.000 0.561 33 G N 1.878 110.604 108.800 -0.124 0.000 2.328 33 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.256 33 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.256 33 G C -0.010 174.868 174.900 -0.037 0.000 1.014 33 G CA 0.163 45.228 45.100 -0.058 0.000 0.620 33 G HN 0.630 nan 8.290 nan 0.000 0.530 34 I N 2.093 122.626 120.570 -0.063 0.000 2.581 34 I HA 0.205 4.375 4.170 -0.001 0.000 0.285 34 I C 0.993 177.161 176.117 0.085 0.000 1.129 34 I CA 0.291 61.603 61.300 0.020 0.000 1.397 34 I CB 0.927 38.972 38.000 0.074 0.000 1.399 34 I HN 0.146 nan 8.210 nan 0.000 0.537 35 K N 5.742 126.183 120.400 0.069 0.000 2.298 35 K HA 0.390 4.710 4.320 -0.001 0.000 0.280 35 K C -1.070 175.575 176.600 0.074 0.000 1.032 35 K CA -0.391 55.941 56.287 0.074 0.000 0.958 35 K CB 0.788 33.316 32.500 0.047 0.000 0.978 35 K HN 0.367 nan 8.250 nan 0.000 0.472 36 V N 3.553 123.510 119.914 0.073 0.000 2.384 36 V HA 0.241 4.361 4.120 -0.001 0.000 0.287 36 V C -0.419 175.678 176.094 0.006 0.000 1.020 36 V CA -0.761 61.533 62.300 -0.010 0.000 0.850 36 V CB 1.629 33.404 31.823 -0.079 0.000 0.987 36 V HN 0.802 nan 8.190 nan 0.000 0.436 37 T N 4.332 118.884 114.554 -0.003 0.000 2.786 37 T HA 0.575 4.924 4.350 -0.001 0.000 0.283 37 T C -0.395 174.335 174.700 0.050 0.000 0.992 37 T CA -0.426 61.694 62.100 0.034 0.000 0.954 37 T CB 1.631 70.526 68.868 0.045 0.000 0.934 37 T HN 0.322 nan 8.240 nan 0.000 0.440 38 V N 4.751 124.708 119.914 0.071 0.000 2.417 38 V HA 0.518 4.638 4.120 -0.001 0.000 0.291 38 V C -0.041 176.122 176.094 0.114 0.000 1.024 38 V CA -0.693 61.668 62.300 0.101 0.000 0.861 38 V CB 1.396 33.272 31.823 0.087 0.000 0.985 38 V HN 0.970 nan 8.190 nan 0.000 0.436 39 E N 3.595 123.862 120.200 0.112 0.000 2.369 39 E HA 0.629 4.978 4.350 -0.001 0.000 0.270 39 E C -1.304 175.224 176.600 -0.121 0.000 0.909 39 E CA -0.944 55.435 56.400 -0.035 0.000 0.775 39 E CB 2.213 31.822 29.700 -0.152 0.000 1.270 39 E HN 0.895 nan 8.360 nan 0.000 0.445 40 H N -1.263 117.597 119.070 -0.350 0.000 2.380 40 H HA 0.442 4.998 4.556 -0.000 0.000 0.231 40 H C -2.708 172.392 175.328 -0.381 0.000 1.415 40 H CA -2.181 53.656 56.048 -0.352 0.000 1.433 40 H CB 0.031 29.545 29.762 -0.414 0.000 1.544 40 H HN 0.226 nan 8.280 nan 0.000 0.503 41 P HA 0.029 nan 4.420 nan 0.000 0.269 41 P C 0.007 177.119 177.300 -0.315 0.000 1.215 41 P CA -0.132 62.648 63.100 -0.533 0.000 0.780 41 P CB 0.926 32.117 31.700 -0.847 0.000 0.898 42 D N 2.128 122.382 120.400 -0.244 0.000 2.362 42 D HA 0.015 4.655 4.640 -0.001 0.000 0.242 42 D C 0.615 176.826 176.300 -0.147 0.000 1.132 42 D CA 0.076 53.985 54.000 -0.153 0.000 0.907 42 D CB 0.274 41.002 40.800 -0.120 0.000 1.195 42 D HN 0.244 nan 8.370 nan 0.000 0.429 43 K N 0.908 121.242 120.400 -0.109 0.000 3.078 43 K HA -0.197 4.123 4.320 -0.001 0.000 0.261 43 K C 1.197 177.695 176.600 -0.170 0.000 0.947 43 K CA 0.179 56.392 56.287 -0.123 0.000 0.702 43 K CB -1.738 30.704 32.500 -0.097 0.000 1.318 43 K HN 0.470 nan 8.250 nan 0.000 0.473 44 L N -0.704 120.405 121.223 -0.189 0.000 2.275 44 L HA -0.044 4.296 4.340 -0.001 0.000 0.215 44 L C 2.140 178.906 176.870 -0.172 0.000 1.119 44 L CA 1.885 56.637 54.840 -0.146 0.000 0.790 44 L CB -0.397 41.598 42.059 -0.106 0.000 0.919 44 L HN 0.297 nan 8.230 nan 0.000 0.443 45 E N 1.151 121.021 120.200 -0.550 0.000 2.204 45 E HA -0.263 4.087 4.350 -0.001 0.000 0.195 45 E C 1.368 177.832 176.600 -0.226 0.000 0.990 45 E CA 1.877 57.838 56.400 -0.733 0.000 0.821 45 E CB -0.314 28.494 29.700 -1.487 0.000 0.750 45 E HN 0.847 nan 8.360 nan 0.000 0.477 46 E N 0.497 120.600 120.200 -0.161 0.000 2.251 46 E HA 0.050 4.400 4.350 -0.001 0.000 0.194 46 E C 2.040 178.632 176.600 -0.013 0.000 0.964 46 E CA -0.084 56.279 56.400 -0.062 0.000 0.868 46 E CB 0.129 29.779 29.700 -0.083 0.000 0.828 46 E HN 0.124 nan 8.360 nan 0.000 0.481 47 K N 0.965 121.372 120.400 0.010 0.000 2.026 47 K HA -0.159 4.160 4.320 -0.001 0.000 0.208 47 K C 2.018 178.708 176.600 0.151 0.000 1.048 47 K CA 1.025 57.360 56.287 0.080 0.000 0.929 47 K CB -0.178 32.369 32.500 0.078 0.000 0.713 47 K HN 0.018 nan 8.250 nan 0.000 0.439 48 F N 2.762 122.754 119.950 0.069 0.000 2.043 48 F HA -0.187 4.339 4.527 -0.001 0.000 0.297 48 F C -1.156 174.456 175.800 -0.313 0.000 1.118 48 F CA 1.736 59.636 58.000 -0.167 0.000 1.202 48 F CB -0.980 37.793 39.000 -0.378 0.000 0.965 48 F HN 0.118 nan 8.300 nan 0.000 0.482 49 P HA -0.166 nan 4.420 nan 0.000 0.225 49 P C 0.861 177.999 177.300 -0.271 0.000 1.148 49 P CA 1.587 64.499 63.100 -0.313 0.000 0.779 49 P CB -0.204 31.509 31.700 0.022 0.000 0.780 50 Q N -0.089 119.589 119.800 -0.202 0.000 2.089 50 Q HA -0.045 4.295 4.340 -0.001 0.000 0.195 50 Q C 2.410 178.294 176.000 -0.194 0.000 0.963 50 Q CA 1.475 57.186 55.803 -0.154 0.000 0.834 50 Q CB -0.707 27.978 28.738 -0.088 0.000 0.906 50 Q HN 0.212 nan 8.270 nan 0.000 0.452 51 V N -1.158 118.623 119.914 -0.222 0.000 2.323 51 V HA 0.006 4.126 4.120 -0.001 0.000 0.244 51 V C 2.120 178.012 176.094 -0.337 0.000 1.041 51 V CA 1.649 63.817 62.300 -0.220 0.000 1.025 51 V CB -1.116 30.620 31.823 -0.145 0.000 0.656 51 V HN 0.238 nan 8.190 nan 0.000 0.451 52 A N 0.270 122.746 122.820 -0.574 0.000 2.248 52 A HA 0.336 4.655 4.320 -0.001 0.000 0.210 52 A C 2.336 179.669 177.584 -0.420 0.000 1.174 52 A CA 1.480 53.141 52.037 -0.627 0.000 0.750 52 A CB -0.867 17.439 19.000 -1.156 0.000 0.780 52 A HN 1.013 nan 8.150 nan 0.000 0.478 53 A N -0.014 122.608 122.820 -0.330 0.000 1.902 53 A HA -0.073 4.247 4.320 -0.001 0.000 0.217 53 A C 2.070 179.554 177.584 -0.166 0.000 1.181 53 A CA 2.025 53.934 52.037 -0.212 0.000 0.623 53 A CB -0.859 18.042 19.000 -0.165 0.000 0.818 53 A HN 0.846 nan 8.150 nan 0.000 0.443 54 T N -4.755 109.699 114.554 -0.166 0.000 3.258 54 T HA 0.461 4.810 4.350 -0.001 0.000 0.263 54 T C 1.096 175.715 174.700 -0.135 0.000 0.983 54 T CA 0.854 62.878 62.100 -0.127 0.000 0.907 54 T CB -0.138 68.668 68.868 -0.104 0.000 1.096 54 T HN 1.706 nan 8.240 nan 0.000 0.556 55 G N 1.038 109.737 108.800 -0.168 0.000 2.189 55 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.267 55 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.267 55 G C 0.048 174.839 174.900 -0.182 0.000 0.975 55 G CA 0.332 45.335 45.100 -0.162 0.000 0.644 55 G HN 0.720 nan 8.290 nan 0.000 0.537 56 D N 0.079 120.356 120.400 -0.205 0.000 2.376 56 D HA 0.567 5.206 4.640 -0.001 0.000 0.268 56 D C 1.235 177.354 176.300 -0.302 0.000 1.252 56 D CA 1.697 55.579 54.000 -0.196 0.000 1.041 56 D CB 0.388 41.099 40.800 -0.149 0.000 1.109 56 D HN 1.517 nan 8.370 nan 0.000 0.552 57 G N -0.575 108.042 108.800 -0.304 0.000 2.728 57 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.294 57 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.294 57 G C -2.616 171.940 174.900 -0.573 0.000 1.342 57 G CA -0.320 44.433 45.100 -0.579 0.000 0.866 57 G HN 0.557 nan 8.290 nan 0.000 0.534 58 P HA 0.312 nan 4.420 nan 0.000 0.277 58 P C 0.081 177.206 177.300 -0.292 0.000 1.271 58 P CA -0.136 62.588 63.100 -0.626 0.000 0.795 58 P CB 0.875 31.989 31.700 -0.976 0.000 1.101 59 D N -0.558 119.733 120.400 -0.181 0.000 2.137 59 D HA 0.086 4.726 4.640 -0.001 0.000 0.202 59 D C 0.566 176.822 176.300 -0.072 0.000 0.970 59 D CA 1.426 55.365 54.000 -0.101 0.000 0.837 59 D CB 0.303 41.056 40.800 -0.078 0.000 0.981 59 D HN 0.321 nan 8.370 nan 0.000 0.475 60 I N 1.279 121.807 120.570 -0.070 0.000 2.468 60 I HA 0.299 4.469 4.170 -0.001 0.000 0.285 60 I C -0.722 175.395 176.117 0.000 0.000 1.039 60 I CA -0.627 60.659 61.300 -0.023 0.000 1.074 60 I CB 2.945 40.975 38.000 0.051 0.000 1.228 60 I HN -0.207 nan 8.210 nan 0.000 0.436 61 I N 5.977 126.476 120.570 -0.118 0.000 2.354 61 I HA 0.435 4.605 4.170 -0.001 0.000 0.292 61 I C -1.245 174.938 176.117 0.110 0.000 0.989 61 I CA -0.366 60.884 61.300 -0.083 0.000 1.188 61 I CB 1.004 38.592 38.000 -0.687 0.000 1.342 61 I HN 0.319 nan 8.210 nan 0.000 0.457 62 F N 8.139 128.234 119.950 0.243 0.000 2.404 62 F HA 0.469 4.995 4.527 -0.001 0.000 0.354 62 F C -0.403 175.671 175.800 0.456 0.000 1.122 62 F CA -0.015 58.171 58.000 0.310 0.000 1.080 62 F CB 0.928 40.056 39.000 0.213 0.000 1.131 62 F HN 0.439 nan 8.300 nan 0.000 0.471 63 W N 2.427 123.942 121.300 0.359 0.000 3.059 63 W HA 0.593 5.253 4.660 -0.001 0.000 0.329 63 W C -1.324 175.278 176.519 0.138 0.000 1.246 63 W CA -1.425 56.074 57.345 0.256 0.000 1.190 63 W CB 1.593 31.228 29.460 0.291 0.000 1.423 63 W HN 0.549 nan 8.180 nan 0.000 0.571 64 A N 3.432 125.976 122.820 -0.461 0.000 2.567 64 A HA -0.059 4.261 4.320 -0.001 0.000 0.240 64 A C 1.470 179.035 177.584 -0.032 0.000 1.053 64 A CA 1.054 52.920 52.037 -0.284 0.000 0.755 64 A CB -0.272 18.428 19.000 -0.501 0.000 0.978 64 A HN 0.794 nan 8.150 nan 0.000 0.507 65 H N 2.427 121.409 119.070 -0.148 0.000 2.538 65 H HA -0.195 4.360 4.556 -0.001 0.000 0.294 65 H C 0.971 176.314 175.328 0.025 0.000 1.083 65 H CA 1.562 57.484 56.048 -0.211 0.000 1.233 65 H CB -0.303 29.319 29.762 -0.234 0.000 1.360 65 H HN 0.826 nan 8.280 nan 0.000 0.571 66 D N 0.975 121.073 120.400 -0.504 0.000 2.178 66 D HA -0.144 4.495 4.640 -0.001 0.000 0.202 66 D C 1.771 178.020 176.300 -0.084 0.000 0.974 66 D CA 0.353 54.144 54.000 -0.349 0.000 0.841 66 D CB -0.264 40.392 40.800 -0.240 0.000 0.953 66 D HN 0.218 nan 8.370 nan 0.000 0.478 67 R N -0.508 119.999 120.500 0.012 0.000 2.275 67 R HA 0.098 4.438 4.340 -0.001 0.000 0.199 67 R C 1.817 177.752 176.300 -0.609 0.000 0.989 67 R CA -0.022 55.901 56.100 -0.296 0.000 1.016 67 R CB -0.774 29.264 30.300 -0.437 0.000 0.918 67 R HN 0.252 nan 8.270 nan 0.000 0.473 68 F N 0.064 119.755 119.950 -0.431 0.000 2.325 68 F HA 0.037 4.564 4.527 -0.001 0.000 0.299 68 F C 2.390 178.015 175.800 -0.291 0.000 1.090 68 F CA 1.159 58.988 58.000 -0.285 0.000 1.392 68 F CB -0.758 38.205 39.000 -0.063 0.000 1.053 68 F HN 0.108 nan 8.300 nan 0.000 0.521 69 G N -0.271 108.403 108.800 -0.211 0.000 2.418 69 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.217 69 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.217 69 G C 2.082 176.624 174.900 -0.596 0.000 1.158 69 G CA 0.832 45.541 45.100 -0.652 0.000 0.771 69 G HN 0.487 nan 8.290 nan 0.000 0.545 70 G N 0.003 108.596 108.800 -0.345 0.000 2.421 70 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.216 70 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.216 70 G C 1.628 176.485 174.900 -0.071 0.000 1.171 70 G CA 1.032 46.010 45.100 -0.204 0.000 0.775 70 G HN 0.339 nan 8.290 nan 0.000 0.543 71 Y N 1.420 121.637 120.300 -0.139 0.000 2.114 71 Y HA -0.083 4.466 4.550 -0.000 0.000 0.282 71 Y C 3.177 179.032 175.900 -0.075 0.000 1.165 71 Y CA 0.390 58.435 58.100 -0.091 0.000 1.148 71 Y CB -1.200 37.169 38.460 -0.151 0.000 0.972 71 Y HN 0.277 nan 8.280 nan 0.000 0.504 72 A N -0.316 122.538 122.820 0.057 0.000 1.898 72 A HA -0.271 4.048 4.320 -0.001 0.000 0.216 72 A C 2.238 179.865 177.584 0.071 0.000 1.181 72 A CA 1.775 53.842 52.037 0.050 0.000 0.620 72 A CB -0.902 18.117 19.000 0.033 0.000 0.819 72 A HN 0.438 nan 8.150 nan 0.000 0.442 73 Q N 0.599 120.406 119.800 0.011 0.000 2.029 73 Q HA -0.187 4.152 4.340 -0.001 0.000 0.209 73 Q C 1.861 177.902 176.000 0.068 0.000 0.999 73 Q CA 2.595 58.461 55.803 0.104 0.000 0.857 73 Q CB -0.567 28.201 28.738 0.051 0.000 0.926 73 Q HN 0.520 nan 8.270 nan 0.000 0.415 74 S N -0.513 115.210 115.700 0.038 0.000 2.660 74 S HA 0.179 4.649 4.470 -0.001 0.000 0.228 74 S C 0.792 175.394 174.600 0.003 0.000 0.966 74 S CA 0.548 58.758 58.200 0.016 0.000 0.940 74 S CB -0.503 62.699 63.200 0.003 0.000 0.773 74 S HN 0.738 nan 8.310 nan 0.000 0.535 75 G N 1.573 110.388 108.800 0.026 0.000 2.314 75 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.292 75 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.292 75 G C 0.224 175.114 174.900 -0.017 0.000 1.059 75 G CA 0.267 45.376 45.100 0.016 0.000 0.982 75 G HN 0.577 nan 8.290 nan 0.000 0.505 76 L N -1.463 119.752 121.223 -0.014 0.000 2.959 76 L HA 0.507 4.846 4.340 -0.001 0.000 0.259 76 L C 0.753 177.626 176.870 0.006 0.000 1.185 76 L CA -0.165 54.632 54.840 -0.071 0.000 0.998 76 L CB 0.331 42.283 42.059 -0.178 0.000 1.337 76 L HN 0.189 nan 8.230 nan 0.000 0.555 77 L N 0.732 121.983 121.223 0.046 0.000 2.386 77 L HA 0.722 5.062 4.340 -0.001 0.000 0.271 77 L C 0.182 177.084 176.870 0.053 0.000 0.993 77 L CA -0.621 54.261 54.840 0.069 0.000 0.819 77 L CB 2.300 44.422 42.059 0.106 0.000 1.294 77 L HN 0.028 nan 8.230 nan 0.000 0.414 78 A N 2.467 125.313 122.820 0.043 0.000 2.425 78 A HA 0.209 4.529 4.320 -0.001 0.000 0.249 78 A C -0.003 177.603 177.584 0.036 0.000 1.084 78 A CA -0.205 51.853 52.037 0.034 0.000 0.781 78 A CB 0.386 19.403 19.000 0.028 0.000 1.019 78 A HN 0.770 nan 8.150 nan 0.000 0.490 79 E N 2.257 122.475 120.200 0.031 0.000 2.290 79 E HA 0.350 4.699 4.350 -0.001 0.000 0.277 79 E C -0.137 176.461 176.600 -0.003 0.000 1.035 79 E CA -0.408 56.005 56.400 0.021 0.000 0.873 79 E CB 0.308 30.024 29.700 0.026 0.000 1.029 79 E HN 0.568 nan 8.360 nan 0.000 0.419 80 I N 1.698 122.236 120.570 -0.054 0.000 2.720 80 I HA 0.266 4.436 4.170 -0.001 0.000 0.287 80 I C 0.271 176.379 176.117 -0.015 0.000 1.090 80 I CA -0.572 60.675 61.300 -0.087 0.000 1.384 80 I CB 1.308 39.045 38.000 -0.437 0.000 1.420 80 I HN 0.408 nan 8.210 nan 0.000 0.575 81 T N 1.441 116.030 114.554 0.058 0.000 3.401 81 T HA 0.522 4.871 4.350 -0.001 0.000 0.341 81 T C -2.562 172.193 174.700 0.092 0.000 1.674 81 T CA -1.466 60.668 62.100 0.056 0.000 1.600 81 T CB 0.095 68.989 68.868 0.044 0.000 0.974 81 T HN 0.527 nan 8.240 nan 0.000 0.672 82 P HA 0.447 nan 4.420 nan 0.000 0.292 82 P C -0.480 176.852 177.300 0.053 0.000 1.283 82 P CA -0.347 62.835 63.100 0.137 0.000 0.835 82 P CB 1.095 32.996 31.700 0.335 0.000 1.017 83 D N 0.906 121.346 120.400 0.067 0.000 2.411 83 D HA 0.116 4.755 4.640 -0.001 0.000 0.251 83 D C 1.178 177.499 176.300 0.036 0.000 1.201 83 D CA -0.490 53.534 54.000 0.041 0.000 0.996 83 D CB 0.577 41.406 40.800 0.047 0.000 1.101 83 D HN 0.076 nan 8.370 nan 0.000 0.504 84 K N 0.247 120.651 120.400 0.007 0.000 2.103 84 K HA -0.154 4.166 4.320 -0.001 0.000 0.207 84 K C 1.861 178.479 176.600 0.030 0.000 1.048 84 K CA 1.877 58.157 56.287 -0.011 0.000 0.930 84 K CB -0.880 31.612 32.500 -0.012 0.000 0.716 84 K HN 0.486 nan 8.250 nan 0.000 0.444 85 A N -0.286 122.578 122.820 0.074 0.000 1.908 85 A HA -0.141 4.179 4.320 -0.001 0.000 0.218 85 A C 2.199 179.880 177.584 0.161 0.000 1.181 85 A CA 1.648 53.747 52.037 0.103 0.000 0.627 85 A CB -0.855 18.215 19.000 0.117 0.000 0.818 85 A HN 0.443 nan 8.150 nan 0.000 0.445 86 F N 0.376 120.354 119.950 0.046 0.000 2.149 86 F HA -0.074 4.453 4.527 -0.000 0.000 0.294 86 F C 2.623 178.533 175.800 0.184 0.000 1.095 86 F CA 1.713 59.783 58.000 0.116 0.000 1.276 86 F CB -0.442 38.648 39.000 0.150 0.000 1.023 86 F HN 0.283 nan 8.300 nan 0.000 0.480 87 Q N -0.142 119.745 119.800 0.146 0.000 2.197 87 Q HA -0.259 4.081 4.340 -0.001 0.000 0.207 87 Q C 1.493 177.533 176.000 0.066 0.000 0.984 87 Q CA 1.917 57.648 55.803 -0.121 0.000 0.869 87 Q CB -0.459 27.975 28.738 -0.507 0.000 0.906 87 Q HN 0.428 nan 8.270 nan 0.000 0.426 88 D N 0.298 120.709 120.400 0.018 0.000 2.264 88 D HA -0.082 4.558 4.640 -0.001 0.000 0.208 88 D C 1.331 177.622 176.300 -0.014 0.000 0.966 88 D CA 0.918 54.925 54.000 0.012 0.000 0.864 88 D CB 0.006 40.802 40.800 -0.007 0.000 0.933 88 D HN 0.068 nan 8.370 nan 0.000 0.499 89 K N -0.564 119.802 120.400 -0.057 0.000 2.432 89 K HA 0.130 4.450 4.320 -0.001 0.000 0.196 89 K C 0.163 176.654 176.600 -0.181 0.000 1.038 89 K CA 0.329 56.515 56.287 -0.168 0.000 0.986 89 K CB 0.313 32.615 32.500 -0.330 0.000 0.782 89 K HN 0.098 nan 8.250 nan 0.000 0.485 90 L N -0.436 120.762 121.223 -0.042 0.000 2.279 90 L HA 0.360 4.700 4.340 -0.001 0.000 0.262 90 L C -0.578 176.274 176.870 -0.030 0.000 1.019 90 L CA -1.479 53.311 54.840 -0.083 0.000 0.823 90 L CB 0.833 42.760 42.059 -0.221 0.000 1.358 90 L HN -0.137 nan 8.230 nan 0.000 0.432 91 Y N 0.938 121.254 120.300 0.028 0.000 2.402 91 Y HA 0.094 4.643 4.550 -0.001 0.000 0.333 91 Y C -1.495 174.517 175.900 0.187 0.000 1.076 91 Y CA -1.222 56.947 58.100 0.115 0.000 1.299 91 Y CB 0.291 38.825 38.460 0.124 0.000 1.197 91 Y HN 0.387 nan 8.280 nan 0.000 0.517 92 P HA -0.291 nan 4.420 nan 0.000 0.216 92 P C 1.710 179.208 177.300 0.330 0.000 1.154 92 P CA 1.490 64.826 63.100 0.394 0.000 0.865 92 P CB -0.070 31.793 31.700 0.272 0.000 0.789 93 F N 1.132 121.187 119.950 0.175 0.000 2.111 93 F HA -0.310 4.217 4.527 -0.001 0.000 0.300 93 F C 2.000 177.821 175.800 0.035 0.000 1.088 93 F CA 2.600 60.654 58.000 0.090 0.000 1.243 93 F CB -1.336 37.697 39.000 0.054 0.000 0.996 93 F HN 0.020 nan 8.300 nan 0.000 0.483 94 T N -3.622 110.846 114.554 -0.144 0.000 2.978 94 T HA -0.158 4.192 4.350 -0.001 0.000 0.262 94 T C 1.832 176.343 174.700 -0.314 0.000 1.063 94 T CA 0.867 62.742 62.100 -0.375 0.000 1.140 94 T CB -1.236 67.478 68.868 -0.257 0.000 0.886 94 T HN 0.519 nan 8.240 nan 0.000 0.470 95 W N 2.398 123.657 121.300 -0.069 0.000 2.335 95 W HA -0.026 4.634 4.660 -0.001 0.000 0.311 95 W C 2.225 178.693 176.519 -0.084 0.000 1.213 95 W CA 0.708 58.026 57.345 -0.045 0.000 1.274 95 W CB -0.256 29.210 29.460 0.009 0.000 1.148 95 W HN 0.220 nan 8.180 nan 0.000 0.498 96 D N 0.001 120.479 120.400 0.131 0.000 2.182 96 D HA -0.169 4.471 4.640 -0.001 0.000 0.201 96 D C 2.138 178.399 176.300 -0.066 0.000 0.986 96 D CA 1.676 55.699 54.000 0.038 0.000 0.847 96 D CB -0.583 40.229 40.800 0.019 0.000 0.942 96 D HN 0.182 nan 8.370 nan 0.000 0.467 97 A N 0.925 123.597 122.820 -0.246 0.000 1.930 97 A HA -0.124 4.196 4.320 -0.001 0.000 0.217 97 A C 2.278 179.755 177.584 -0.179 0.000 1.175 97 A CA 1.501 53.304 52.037 -0.390 0.000 0.627 97 A CB -0.511 18.015 19.000 -0.789 0.000 0.815 97 A HN 0.244 nan 8.150 nan 0.000 0.443 98 V N -2.242 117.608 119.914 -0.107 0.000 3.620 98 V HA 0.272 4.392 4.120 -0.001 0.000 0.286 98 V C 0.666 176.813 176.094 0.089 0.000 1.288 98 V CA 0.293 62.575 62.300 -0.031 0.000 1.178 98 V CB -1.242 30.541 31.823 -0.067 0.000 0.986 98 V HN 0.461 nan 8.190 nan 0.000 0.431 99 R N 0.303 120.873 120.500 0.116 0.000 2.486 99 R HA 0.554 4.894 4.340 -0.001 0.000 0.286 99 R C -1.511 174.932 176.300 0.239 0.000 0.999 99 R CA -0.713 55.478 56.100 0.153 0.000 0.993 99 R CB 1.325 31.694 30.300 0.117 0.000 1.084 99 R HN 0.430 nan 8.270 nan 0.000 0.487 100 Y N 3.580 123.923 120.300 0.072 0.000 2.436 100 Y HA 0.170 4.720 4.550 -0.001 0.000 0.327 100 Y C -0.838 175.097 175.900 0.059 0.000 1.138 100 Y CA -0.927 57.219 58.100 0.076 0.000 1.042 100 Y CB 1.392 39.906 38.460 0.090 0.000 1.302 100 Y HN 0.945 nan 8.280 nan 0.000 0.439 101 N N 3.747 122.148 118.700 -0.499 0.000 2.708 101 N HA -0.201 4.539 4.740 -0.001 0.000 0.249 101 N C 0.882 176.323 175.510 -0.115 0.000 1.097 101 N CA 2.196 55.048 53.050 -0.330 0.000 0.710 101 N CB -1.124 37.158 38.487 -0.341 0.000 1.032 101 N HN 1.624 nan 8.380 nan 0.000 0.551 102 G N -1.715 107.052 108.800 -0.055 0.000 2.148 102 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.254 102 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.254 102 G C 0.008 174.913 174.900 0.008 0.000 0.981 102 G CA 0.885 45.976 45.100 -0.015 0.000 0.670 102 G HN 0.537 nan 8.290 nan 0.000 0.528 103 K N -0.239 120.181 120.400 0.034 0.000 2.259 103 K HA 0.645 4.964 4.320 -0.001 0.000 0.252 103 K C 0.470 177.119 176.600 0.082 0.000 0.936 103 K CA -0.952 55.366 56.287 0.051 0.000 0.810 103 K CB 1.680 34.220 32.500 0.068 0.000 1.143 103 K HN 0.106 nan 8.250 nan 0.000 0.427 104 L N 4.714 125.972 121.223 0.058 0.000 2.360 104 L HA 0.227 4.567 4.340 -0.001 0.000 0.276 104 L C 1.198 178.103 176.870 0.058 0.000 1.121 104 L CA 0.115 54.998 54.840 0.073 0.000 0.845 104 L CB 0.250 42.339 42.059 0.051 0.000 1.143 104 L HN 0.744 nan 8.230 nan 0.000 0.452 105 I N -0.078 120.544 120.570 0.086 0.000 4.147 105 I HA 0.601 4.770 4.170 -0.001 0.000 0.329 105 I C 0.217 176.395 176.117 0.102 0.000 1.424 105 I CA -0.139 61.226 61.300 0.107 0.000 1.127 105 I CB 0.684 38.798 38.000 0.189 0.000 1.128 105 I HN 0.554 nan 8.210 nan 0.000 0.417 106 A N 0.299 123.105 122.820 -0.023 0.000 2.566 106 A HA 0.654 4.973 4.320 -0.001 0.000 0.290 106 A C -2.203 175.244 177.584 -0.228 0.000 1.071 106 A CA -0.428 51.541 52.037 -0.113 0.000 0.658 106 A CB 0.544 19.485 19.000 -0.098 0.000 1.285 106 A HN 0.174 nan 8.150 nan 0.000 0.427 107 Y N 1.378 121.658 120.300 -0.032 0.000 2.367 107 Y HA 0.445 4.995 4.550 -0.001 0.000 0.342 107 Y C -2.009 173.758 175.900 -0.222 0.000 0.979 107 Y CA -2.266 55.794 58.100 -0.067 0.000 1.161 107 Y CB 0.946 39.413 38.460 0.013 0.000 1.155 107 Y HN 0.384 nan 8.280 nan 0.000 0.503 108 P HA 0.062 nan 4.420 nan 0.000 0.271 108 P C 0.089 177.299 177.300 -0.150 0.000 1.216 108 P CA 0.239 63.183 63.100 -0.261 0.000 0.771 108 P CB 1.622 33.061 31.700 -0.435 0.000 0.864 109 I N 0.762 121.295 120.570 -0.062 0.000 3.673 109 I HA 0.334 4.504 4.170 -0.001 0.000 0.281 109 I C 1.074 177.223 176.117 0.052 0.000 1.182 109 I CA 0.235 61.558 61.300 0.038 0.000 1.391 109 I CB -0.669 37.424 38.000 0.154 0.000 1.383 109 I HN 0.352 nan 8.210 nan 0.000 0.456 110 A N 0.619 123.467 122.820 0.046 0.000 2.610 110 A HA 0.705 5.024 4.320 -0.001 0.000 0.291 110 A C -1.379 176.243 177.584 0.064 0.000 1.086 110 A CA -0.383 51.695 52.037 0.069 0.000 0.677 110 A CB 1.652 20.710 19.000 0.096 0.000 1.278 110 A HN -0.166 nan 8.150 nan 0.000 0.414 111 V N 1.133 121.099 119.914 0.086 0.000 2.459 111 V HA 0.535 4.654 4.120 -0.001 0.000 0.295 111 V C -0.342 175.825 176.094 0.121 0.000 1.029 111 V CA -0.407 61.966 62.300 0.121 0.000 0.874 111 V CB 1.222 33.147 31.823 0.170 0.000 0.985 111 V HN 0.900 nan 8.190 nan 0.000 0.438 112 E N 2.803 123.099 120.200 0.159 0.000 2.212 112 E HA 0.862 5.212 4.350 -0.001 0.000 0.268 112 E C -0.605 176.109 176.600 0.189 0.000 0.902 112 E CA -0.772 55.735 56.400 0.178 0.000 0.779 112 E CB 2.461 32.339 29.700 0.297 0.000 1.172 112 E HN 0.882 nan 8.360 nan 0.000 0.409 113 A N 2.547 125.431 122.820 0.107 0.000 2.517 113 A HA 0.408 4.727 4.320 -0.001 0.000 0.297 113 A C -1.228 176.340 177.584 -0.027 0.000 1.050 113 A CA -0.759 51.325 52.037 0.078 0.000 0.694 113 A CB 0.848 19.886 19.000 0.064 0.000 1.277 113 A HN 0.576 nan 8.150 nan 0.000 0.400 114 L N 2.628 123.804 121.223 -0.079 0.000 2.456 114 L HA 0.255 4.595 4.340 -0.001 0.000 0.277 114 L C 0.502 177.324 176.870 -0.080 0.000 1.124 114 L CA 0.091 54.845 54.840 -0.143 0.000 0.880 114 L CB 0.679 42.586 42.059 -0.254 0.000 1.192 114 L HN 0.753 nan 8.230 nan 0.000 0.463 115 S N 3.345 119.015 115.700 -0.051 0.000 2.713 115 S HA 0.550 5.019 4.470 -0.001 0.000 0.283 115 S C -0.482 174.110 174.600 -0.014 0.000 1.161 115 S CA -0.695 57.505 58.200 -0.000 0.000 0.999 115 S CB 1.914 65.164 63.200 0.083 0.000 1.039 115 S HN 0.412 nan 8.310 nan 0.000 0.548 116 L N 2.136 123.351 121.223 -0.013 0.000 2.264 116 L HA 0.580 4.920 4.340 -0.001 0.000 0.289 116 L C -1.058 175.855 176.870 0.071 0.000 1.044 116 L CA 0.071 54.894 54.840 -0.029 0.000 0.807 116 L CB -0.244 41.755 42.059 -0.100 0.000 1.192 116 L HN 0.534 nan 8.230 nan 0.000 0.425 117 I N 5.986 126.580 120.570 0.040 0.000 2.498 117 I HA 0.477 4.646 4.170 -0.001 0.000 0.301 117 I C -0.863 175.369 176.117 0.191 0.000 0.984 117 I CA -0.814 60.537 61.300 0.085 0.000 1.204 117 I CB 1.426 39.334 38.000 -0.153 0.000 1.362 117 I HN 0.752 nan 8.210 nan 0.000 0.471 118 Y N 2.721 123.130 120.300 0.182 0.000 2.581 118 Y HA 0.480 5.030 4.550 -0.001 0.000 0.337 118 Y C -1.165 174.973 175.900 0.397 0.000 1.108 118 Y CA -1.645 56.638 58.100 0.306 0.000 1.033 118 Y CB 0.901 39.436 38.460 0.125 0.000 1.318 118 Y HN 0.465 nan 8.280 nan 0.000 0.459 119 N N 2.875 121.751 118.700 0.294 0.000 2.469 119 N HA 0.218 4.957 4.740 -0.001 0.000 0.239 119 N C 0.262 175.784 175.510 0.020 0.000 1.053 119 N CA -0.207 52.860 53.050 0.028 0.000 0.937 119 N CB 0.855 39.268 38.487 -0.123 0.000 1.163 119 N HN 0.842 nan 8.380 nan 0.000 0.509 120 K N 1.606 121.937 120.400 -0.116 0.000 2.113 120 K HA -0.162 4.158 4.320 -0.001 0.000 0.208 120 K C 0.354 176.968 176.600 0.022 0.000 1.047 120 K CA 1.463 57.737 56.287 -0.020 0.000 0.928 120 K CB 0.200 32.634 32.500 -0.109 0.000 0.716 120 K HN 0.507 nan 8.250 nan 0.000 0.446 121 D N 0.810 121.201 120.400 -0.016 0.000 2.144 121 D HA -0.120 4.520 4.640 -0.001 0.000 0.199 121 D C 1.859 178.159 176.300 0.001 0.000 0.984 121 D CA 0.990 54.982 54.000 -0.013 0.000 0.834 121 D CB -0.068 40.711 40.800 -0.035 0.000 0.955 121 D HN 0.141 nan 8.370 nan 0.000 0.465 122 L N -0.854 120.372 121.223 0.005 0.000 2.209 122 L HA 0.115 4.455 4.340 -0.001 0.000 0.207 122 L C 0.544 177.444 176.870 0.050 0.000 1.094 122 L CA 0.258 55.108 54.840 0.017 0.000 0.790 122 L CB 0.395 42.457 42.059 0.006 0.000 0.932 122 L HN -0.003 nan 8.230 nan 0.000 0.447 123 L N -0.005 121.274 121.223 0.095 0.000 2.534 123 L HA 0.348 4.687 4.340 -0.001 0.000 0.259 123 L C -2.278 174.700 176.870 0.181 0.000 1.108 123 L CA -1.077 53.834 54.840 0.119 0.000 0.905 123 L CB 1.226 43.368 42.059 0.138 0.000 1.138 123 L HN -0.241 nan 8.230 nan 0.000 0.475 124 P HA 0.072 nan 4.420 nan 0.000 0.233 124 P C -0.579 176.789 177.300 0.113 0.000 1.167 124 P CA 0.783 63.965 63.100 0.138 0.000 0.770 124 P CB 0.123 31.863 31.700 0.066 0.000 0.837 125 N N -0.062 118.657 118.700 0.031 0.000 2.531 125 N HA 0.278 5.017 4.740 -0.001 0.000 0.268 125 N C -2.753 172.661 175.510 -0.159 0.000 1.023 125 N CA -1.740 51.270 53.050 -0.066 0.000 0.896 125 N CB 1.070 39.527 38.487 -0.050 0.000 1.233 125 N HN -0.083 nan 8.380 nan 0.000 0.512 126 P HA 0.123 nan 4.420 nan 0.000 0.269 126 P C -2.520 174.629 177.300 -0.251 0.000 1.215 126 P CA -0.770 62.080 63.100 -0.416 0.000 0.780 126 P CB 0.054 31.314 31.700 -0.733 0.000 0.898 127 P HA 0.129 nan 4.420 nan 0.000 0.271 127 P C 0.383 177.567 177.300 -0.193 0.000 1.216 127 P CA -0.044 62.955 63.100 -0.168 0.000 0.776 127 P CB 0.541 32.145 31.700 -0.159 0.000 0.881 128 K N -0.132 120.180 120.400 -0.146 0.000 2.356 128 K HA 0.097 4.417 4.320 -0.001 0.000 0.195 128 K C 0.875 177.401 176.600 -0.122 0.000 1.037 128 K CA 0.807 57.014 56.287 -0.133 0.000 1.014 128 K CB -0.229 32.213 32.500 -0.096 0.000 0.815 128 K HN 0.627 nan 8.250 nan 0.000 0.507 129 T N -3.990 110.496 114.554 -0.114 0.000 2.893 129 T HA 0.312 4.661 4.350 -0.001 0.000 0.291 129 T C 0.457 175.117 174.700 -0.066 0.000 1.028 129 T CA -0.878 61.185 62.100 -0.063 0.000 0.995 129 T CB 1.163 70.015 68.868 -0.026 0.000 1.051 129 T HN 0.117 nan 8.240 nan 0.000 0.470 130 W N 1.029 122.305 121.300 -0.041 0.000 2.358 130 W HA 0.041 4.700 4.660 -0.001 0.000 0.303 130 W C 2.183 178.739 176.519 0.063 0.000 1.208 130 W CA 1.218 58.551 57.345 -0.021 0.000 1.274 130 W CB -0.160 29.197 29.460 -0.173 0.000 1.138 130 W HN 0.826 nan 8.180 nan 0.000 0.515 131 E N 0.082 120.387 120.200 0.175 0.000 2.204 131 E HA -0.204 4.145 4.350 -0.001 0.000 0.195 131 E C 1.620 178.337 176.600 0.196 0.000 0.990 131 E CA 1.379 57.912 56.400 0.222 0.000 0.821 131 E CB -0.333 29.405 29.700 0.064 0.000 0.750 131 E HN 0.365 nan 8.360 nan 0.000 0.477 132 E N 0.076 120.338 120.200 0.103 0.000 2.204 132 E HA -0.151 4.199 4.350 -0.001 0.000 0.195 132 E C 1.801 178.429 176.600 0.047 0.000 0.990 132 E CA 0.662 57.091 56.400 0.048 0.000 0.821 132 E CB -0.044 29.651 29.700 -0.008 0.000 0.750 132 E HN 0.349 nan 8.360 nan 0.000 0.477 133 I N 0.818 121.446 120.570 0.098 0.000 2.252 133 I HA -0.144 4.026 4.170 -0.001 0.000 0.245 133 I C -0.812 175.249 176.117 -0.093 0.000 1.102 133 I CA 0.780 62.102 61.300 0.037 0.000 1.385 133 I CB -1.499 36.563 38.000 0.103 0.000 1.064 133 I HN 0.049 nan 8.210 nan 0.000 0.414 134 P HA -0.213 nan 4.420 nan 0.000 0.214 134 P C 1.631 178.699 177.300 -0.386 0.000 1.163 134 P CA 2.124 64.826 63.100 -0.663 0.000 0.889 134 P CB -0.046 31.457 31.700 -0.329 0.000 0.790 135 A N -0.375 122.379 122.820 -0.110 0.000 1.859 135 A HA -0.231 4.088 4.320 -0.001 0.000 0.217 135 A C 2.194 179.769 177.584 -0.015 0.000 1.198 135 A CA 2.031 54.056 52.037 -0.020 0.000 0.629 135 A CB -1.831 17.173 19.000 0.008 0.000 0.830 135 A HN 0.183 nan 8.150 nan 0.000 0.446 136 L N 0.413 121.621 121.223 -0.024 0.000 2.051 136 L HA -0.256 4.084 4.340 -0.001 0.000 0.214 136 L C 1.900 178.776 176.870 0.011 0.000 1.076 136 L CA 2.961 57.797 54.840 -0.007 0.000 0.758 136 L CB -0.915 41.136 42.059 -0.014 0.000 0.890 136 L HN 0.565 nan 8.230 nan 0.000 0.433 137 D N -0.966 119.429 120.400 -0.008 0.000 2.097 137 D HA -0.206 4.434 4.640 -0.001 0.000 0.195 137 D C 2.196 178.567 176.300 0.120 0.000 0.989 137 D CA 1.490 55.533 54.000 0.072 0.000 0.827 137 D CB 0.003 40.882 40.800 0.133 0.000 0.966 137 D HN 0.312 nan 8.370 nan 0.000 0.456 138 K N 0.183 120.671 120.400 0.146 0.000 2.015 138 K HA -0.249 4.071 4.320 -0.001 0.000 0.216 138 K C 2.165 178.811 176.600 0.075 0.000 1.052 138 K CA 1.680 58.047 56.287 0.133 0.000 0.937 138 K CB -0.233 32.344 32.500 0.129 0.000 0.719 138 K HN 0.268 nan 8.250 nan 0.000 0.446 139 E N 0.799 121.033 120.200 0.056 0.000 2.097 139 E HA -0.234 4.116 4.350 -0.001 0.000 0.196 139 E C 1.977 178.600 176.600 0.037 0.000 1.000 139 E CA 1.221 57.644 56.400 0.038 0.000 0.804 139 E CB -0.034 29.683 29.700 0.028 0.000 0.740 139 E HN 0.263 nan 8.360 nan 0.000 0.454 140 L N 0.370 121.620 121.223 0.045 0.000 2.156 140 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 140 L C 2.578 179.474 176.870 0.043 0.000 1.095 140 L CA 0.699 55.564 54.840 0.042 0.000 0.770 140 L CB -0.146 41.942 42.059 0.049 0.000 0.914 140 L HN -0.024 nan 8.230 nan 0.000 0.439 141 K N 0.211 120.643 120.400 0.054 0.000 2.097 141 K HA -0.044 4.275 4.320 -0.001 0.000 0.205 141 K C 2.052 178.670 176.600 0.031 0.000 1.050 141 K CA 1.323 57.637 56.287 0.045 0.000 0.938 141 K CB -0.466 32.066 32.500 0.053 0.000 0.718 141 K HN 0.247 nan 8.250 nan 0.000 0.442 142 A N 1.618 124.456 122.820 0.030 0.000 2.225 142 A HA -0.125 4.194 4.320 -0.001 0.000 0.215 142 A C 1.352 178.946 177.584 0.017 0.000 1.164 142 A CA 1.196 53.246 52.037 0.022 0.000 0.710 142 A CB -0.158 18.855 19.000 0.022 0.000 0.780 142 A HN 0.255 nan 8.150 nan 0.000 0.473 143 K N -1.388 119.022 120.400 0.018 0.000 2.414 143 K HA 0.318 4.638 4.320 -0.001 0.000 0.204 143 K C 0.729 177.335 176.600 0.010 0.000 1.026 143 K CA 0.334 56.629 56.287 0.012 0.000 1.108 143 K CB 0.375 32.883 32.500 0.013 0.000 0.855 143 K HN 0.556 nan 8.250 nan 0.000 0.517 144 G N 2.080 110.888 108.800 0.013 0.000 2.160 144 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.244 144 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.244 144 G C -0.173 174.734 174.900 0.012 0.000 1.022 144 G CA 0.574 45.680 45.100 0.010 0.000 0.741 144 G HN 0.243 nan 8.290 nan 0.000 0.508 145 K N -0.587 119.825 120.400 0.020 0.000 2.399 145 K HA 0.859 5.179 4.320 -0.001 0.000 0.260 145 K C 0.020 176.645 176.600 0.042 0.000 1.049 145 K CA 0.064 56.365 56.287 0.024 0.000 0.890 145 K CB 1.647 34.157 32.500 0.017 0.000 1.430 145 K HN 0.551 nan 8.250 nan 0.000 0.459 146 S N -1.030 114.703 115.700 0.055 0.000 2.599 146 S HA 0.725 5.194 4.470 -0.001 0.000 0.287 146 S C 0.316 174.971 174.600 0.092 0.000 1.105 146 S CA -0.368 57.880 58.200 0.079 0.000 0.899 146 S CB 1.723 64.973 63.200 0.083 0.000 1.100 146 S HN 0.544 nan 8.310 nan 0.000 0.482 147 A N 0.504 123.385 122.820 0.102 0.000 1.840 147 A HA 0.442 4.762 4.320 -0.001 0.000 0.214 147 A C 0.504 178.164 177.584 0.127 0.000 1.198 147 A CA 1.088 53.183 52.037 0.095 0.000 0.608 147 A CB -0.592 18.448 19.000 0.068 0.000 0.839 147 A HN 0.976 nan 8.150 nan 0.000 0.443 148 L N -1.034 120.283 121.223 0.155 0.000 2.470 148 L HA 0.685 5.025 4.340 -0.001 0.000 0.268 148 L C -1.227 175.788 176.870 0.240 0.000 0.964 148 L CA -0.092 54.874 54.840 0.209 0.000 0.839 148 L CB 1.787 43.981 42.059 0.225 0.000 1.276 148 L HN 0.349 nan 8.230 nan 0.000 0.403 149 M N 6.436 126.189 119.600 0.256 0.000 2.165 149 M HA 0.517 4.997 4.480 -0.001 0.000 0.283 149 M C -1.505 174.936 176.300 0.235 0.000 0.978 149 M CA -0.397 55.011 55.300 0.179 0.000 0.948 149 M CB 1.713 34.378 32.600 0.109 0.000 1.599 149 M HN 0.591 nan 8.290 nan 0.000 0.450 150 F N 0.497 120.466 119.950 0.032 0.000 2.692 150 F HA 0.623 5.149 4.527 -0.001 0.000 0.320 150 F C -0.455 175.291 175.800 -0.089 0.000 1.123 150 F CA -1.382 56.601 58.000 -0.029 0.000 0.961 150 F CB 0.739 39.795 39.000 0.093 0.000 1.383 150 F HN 0.396 nan 8.300 nan 0.000 0.483 151 N N 1.648 120.249 118.700 -0.165 0.000 2.406 151 N HA 0.129 4.869 4.740 -0.001 0.000 0.274 151 N C 0.121 175.556 175.510 -0.125 0.000 1.249 151 N CA 0.125 52.986 53.050 -0.316 0.000 0.951 151 N CB 0.234 38.274 38.487 -0.745 0.000 1.241 151 N HN 0.804 nan 8.380 nan 0.000 0.485 152 L N 2.088 123.196 121.223 -0.191 0.000 2.591 152 L HA 0.063 4.403 4.340 -0.001 0.000 0.228 152 L C 1.461 178.341 176.870 0.018 0.000 1.133 152 L CA 0.216 54.987 54.840 -0.114 0.000 0.880 152 L CB 0.074 42.007 42.059 -0.210 0.000 1.033 152 L HN 0.485 nan 8.230 nan 0.000 0.450 153 Q N -0.446 119.373 119.800 0.031 0.000 2.339 153 Q HA 0.139 4.478 4.340 -0.001 0.000 0.205 153 Q C 0.382 176.451 176.000 0.116 0.000 0.925 153 Q CA 0.544 56.380 55.803 0.055 0.000 0.898 153 Q CB 0.533 29.290 28.738 0.031 0.000 1.013 153 Q HN 0.354 nan 8.270 nan 0.000 0.504 154 E N 1.177 121.495 120.200 0.197 0.000 2.277 154 E HA 0.161 4.511 4.350 -0.001 0.000 0.274 154 E C -1.799 175.031 176.600 0.382 0.000 1.022 154 E CA -1.965 54.605 56.400 0.284 0.000 0.853 154 E CB 1.314 31.252 29.700 0.396 0.000 1.086 154 E HN -0.128 nan 8.360 nan 0.000 0.397 155 P HA -0.137 nan 4.420 nan 0.000 0.217 155 P C 1.282 178.929 177.300 0.578 0.000 1.151 155 P CA 0.855 64.227 63.100 0.453 0.000 0.828 155 P CB -0.018 31.994 31.700 0.519 0.000 0.788 156 Y N -0.359 120.068 120.300 0.213 0.000 2.133 156 Y HA -0.271 4.279 4.550 -0.000 0.000 0.279 156 Y C 1.882 177.910 175.900 0.213 0.000 1.209 156 Y CA 1.689 59.860 58.100 0.118 0.000 1.152 156 Y CB -1.129 37.229 38.460 -0.170 0.000 0.961 156 Y HN -0.114 nan 8.280 nan 0.000 0.512 157 F N -1.295 118.891 119.950 0.394 0.000 2.416 157 F HA -0.037 4.489 4.527 -0.001 0.000 0.296 157 F C 2.526 178.540 175.800 0.356 0.000 1.099 157 F CA 1.430 59.637 58.000 0.345 0.000 1.427 157 F CB -0.529 38.773 39.000 0.503 0.000 1.079 157 F HN 0.121 nan 8.300 nan 0.000 0.536 158 T N -3.262 111.633 114.554 0.568 0.000 3.044 158 T HA -0.123 4.227 4.350 -0.001 0.000 0.250 158 T C 1.825 176.686 174.700 0.269 0.000 1.081 158 T CA -0.117 62.246 62.100 0.438 0.000 1.040 158 T CB -0.607 68.492 68.868 0.386 0.000 0.962 158 T HN 0.498 nan 8.240 nan 0.000 0.506 159 W N 2.748 124.140 121.300 0.154 0.000 2.358 159 W HA -0.003 4.657 4.660 -0.000 0.000 0.303 159 W C -1.733 174.757 176.519 -0.049 0.000 1.208 159 W CA 0.827 58.230 57.345 0.097 0.000 1.274 159 W CB -1.046 28.576 29.460 0.270 0.000 1.138 159 W HN 0.280 nan 8.180 nan 0.000 0.515 160 P HA -0.238 nan 4.420 nan 0.000 0.217 160 P C 1.722 178.870 177.300 -0.253 0.000 1.148 160 P CA 1.742 64.772 63.100 -0.117 0.000 0.834 160 P CB -0.478 31.207 31.700 -0.025 0.000 0.783 161 L N -1.687 119.347 121.223 -0.315 0.000 2.209 161 L HA 0.038 4.378 4.340 -0.001 0.000 0.207 161 L C 2.030 178.505 176.870 -0.659 0.000 1.094 161 L CA 1.432 55.915 54.840 -0.594 0.000 0.790 161 L CB -0.852 40.673 42.059 -0.891 0.000 0.932 161 L HN -0.138 nan 8.230 nan 0.000 0.447 162 I N -0.113 120.100 120.570 -0.595 0.000 2.233 162 I HA -0.157 4.012 4.170 -0.001 0.000 0.243 162 I C 2.600 178.294 176.117 -0.705 0.000 1.093 162 I CA 1.001 61.926 61.300 -0.624 0.000 1.380 162 I CB -0.754 36.887 38.000 -0.600 0.000 1.067 162 I HN 0.294 nan 8.210 nan 0.000 0.413 163 A N 1.092 123.302 122.820 -1.016 0.000 2.032 163 A HA -0.217 4.103 4.320 -0.001 0.000 0.221 163 A C 2.539 179.897 177.584 -0.375 0.000 1.165 163 A CA 1.872 53.442 52.037 -0.778 0.000 0.645 163 A CB -0.791 17.682 19.000 -0.879 0.000 0.807 163 A HN 0.457 nan 8.150 nan 0.000 0.453 164 A N 0.028 122.645 122.820 -0.339 0.000 1.869 164 A HA -0.258 4.062 4.320 -0.001 0.000 0.218 164 A C 1.755 179.311 177.584 -0.047 0.000 1.203 164 A CA 2.158 54.104 52.037 -0.152 0.000 0.638 164 A CB -0.708 18.215 19.000 -0.127 0.000 0.831 164 A HN 0.451 nan 8.150 nan 0.000 0.450 165 D N -1.604 118.791 120.400 -0.008 0.000 2.344 165 D HA 0.342 4.982 4.640 -0.001 0.000 0.242 165 D C 0.779 177.078 176.300 -0.002 0.000 1.159 165 D CA 1.039 55.067 54.000 0.047 0.000 0.859 165 D CB -0.424 40.467 40.800 0.151 0.000 0.925 165 D HN 0.684 nan 8.370 nan 0.000 0.510 166 G N -0.828 107.949 108.800 -0.037 0.000 2.181 166 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.152 166 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.152 166 G C 0.544 175.448 174.900 0.007 0.000 1.026 166 G CA -0.378 44.730 45.100 0.014 0.000 0.699 166 G HN 0.538 nan 8.290 nan 0.000 0.497 167 G N -0.338 108.379 108.800 -0.137 0.000 2.476 167 G HA2 0.804 4.764 3.960 -0.001 0.000 0.269 167 G HA3 0.804 4.764 3.960 -0.001 0.000 0.269 167 G C -0.330 174.572 174.900 0.004 0.000 1.195 167 G CA 0.040 45.006 45.100 -0.224 0.000 0.843 167 G HN 1.653 nan 8.290 nan 0.000 0.545 168 Y N -2.240 118.131 120.300 0.118 0.000 2.656 168 Y HA 0.714 5.264 4.550 -0.001 0.000 0.334 168 Y C 0.623 176.728 175.900 0.342 0.000 1.179 168 Y CA -0.763 57.519 58.100 0.303 0.000 1.050 168 Y CB 0.763 39.325 38.460 0.171 0.000 1.308 168 Y HN 0.718 nan 8.280 nan 0.000 0.456 169 A N 1.148 124.153 122.820 0.310 0.000 1.865 169 A HA 0.400 4.719 4.320 -0.001 0.000 0.216 169 A C -0.450 176.847 177.584 -0.478 0.000 1.315 169 A CA 1.047 52.764 52.037 -0.533 0.000 0.605 169 A CB -0.411 17.879 19.000 -1.183 0.000 0.984 169 A HN 0.536 nan 8.150 nan 0.000 0.470 170 F N -0.591 119.433 119.950 0.123 0.000 2.540 170 F HA 0.495 5.021 4.527 -0.001 0.000 0.317 170 F C 0.114 176.164 175.800 0.417 0.000 1.104 170 F CA -0.948 57.192 58.000 0.233 0.000 0.913 170 F CB 1.746 40.731 39.000 -0.025 0.000 1.170 170 F HN 0.099 nan 8.300 nan 0.000 0.450 171 K N 1.765 122.505 120.400 0.567 0.000 2.401 171 K HA 0.076 4.395 4.320 -0.001 0.000 0.278 171 K C -1.378 175.439 176.600 0.362 0.000 1.018 171 K CA -0.023 56.404 56.287 0.233 0.000 0.981 171 K CB 0.363 32.956 32.500 0.156 0.000 0.933 171 K HN 0.640 nan 8.250 nan 0.000 0.477 172 Y N 4.086 124.425 120.300 0.064 0.000 2.854 172 Y HA 0.208 4.758 4.550 -0.001 0.000 0.330 172 Y C -1.045 174.802 175.900 -0.089 0.000 1.037 172 Y CA -0.545 57.505 58.100 -0.083 0.000 1.263 172 Y CB 0.552 38.899 38.460 -0.187 0.000 1.120 172 Y HN 0.570 nan 8.280 nan 0.000 0.532 173 E N 4.637 124.689 120.200 -0.246 0.000 2.145 173 E HA 0.252 4.601 4.350 -0.001 0.000 0.270 173 E C -0.525 175.872 176.600 -0.338 0.000 0.906 173 E CA -0.616 55.646 56.400 -0.230 0.000 0.761 173 E CB 0.780 30.423 29.700 -0.095 0.000 1.116 173 E HN 0.591 nan 8.360 nan 0.000 0.408 174 N N 2.236 120.736 118.700 -0.333 0.000 2.780 174 N HA -0.175 4.565 4.740 -0.001 0.000 0.247 174 N C 0.508 175.777 175.510 -0.402 0.000 1.076 174 N CA 0.986 53.865 53.050 -0.285 0.000 0.688 174 N CB -1.427 36.957 38.487 -0.172 0.000 0.957 174 N HN 1.024 nan 8.380 nan 0.000 0.551 175 G N -0.596 107.787 108.800 -0.694 0.000 2.258 175 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.274 175 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.274 175 G C 0.034 174.598 174.900 -0.559 0.000 1.021 175 G CA 1.490 46.182 45.100 -0.680 0.000 0.798 175 G HN 0.981 nan 8.290 nan 0.000 0.507 176 K N -1.622 118.332 120.400 -0.743 0.000 2.543 176 K HA 0.635 4.954 4.320 -0.001 0.000 0.255 176 K C -0.729 175.748 176.600 -0.204 0.000 0.934 176 K CA -1.347 54.769 56.287 -0.284 0.000 0.810 176 K CB 0.853 33.271 32.500 -0.137 0.000 1.315 176 K HN 0.002 nan 8.250 nan 0.000 0.433 177 Y N 1.488 121.887 120.300 0.165 0.000 2.402 177 Y HA 0.170 4.720 4.550 -0.001 0.000 0.333 177 Y C 0.233 176.168 175.900 0.058 0.000 1.076 177 Y CA -0.018 58.192 58.100 0.184 0.000 1.299 177 Y CB 0.884 39.435 38.460 0.151 0.000 1.197 177 Y HN 0.718 nan 8.280 nan 0.000 0.517 178 D N 4.604 125.148 120.400 0.240 0.000 2.344 178 D HA 0.015 4.655 4.640 -0.001 0.000 0.253 178 D C 0.925 177.336 176.300 0.186 0.000 1.255 178 D CA -0.134 53.967 54.000 0.167 0.000 0.894 178 D CB 0.352 41.250 40.800 0.164 0.000 1.067 178 D HN 0.629 nan 8.370 nan 0.000 0.492 179 I N 0.780 121.378 120.570 0.045 0.000 3.334 179 I HA 0.018 4.188 4.170 -0.001 0.000 0.282 179 I C 1.048 177.239 176.117 0.123 0.000 1.313 179 I CA 0.406 61.651 61.300 -0.091 0.000 1.396 179 I CB 0.053 37.923 38.000 -0.216 0.000 1.054 179 I HN -0.034 nan 8.210 nan 0.000 0.495 180 K N 0.568 121.068 120.400 0.167 0.000 2.358 180 K HA 0.194 4.514 4.320 -0.001 0.000 0.197 180 K C -0.102 176.658 176.600 0.266 0.000 1.025 180 K CA 0.252 56.647 56.287 0.180 0.000 1.104 180 K CB -0.042 32.535 32.500 0.129 0.000 0.855 180 K HN 0.261 nan 8.250 nan 0.000 0.531 181 D N 1.487 122.087 120.400 0.334 0.000 2.479 181 D HA 0.134 4.774 4.640 -0.001 0.000 0.247 181 D C -0.969 175.587 176.300 0.427 0.000 1.119 181 D CA -0.379 53.838 54.000 0.362 0.000 0.922 181 D CB 0.608 41.612 40.800 0.339 0.000 1.014 181 D HN -0.280 nan 8.370 nan 0.000 0.510 182 V N 1.795 121.873 119.914 0.275 0.000 2.427 182 V HA 0.586 4.706 4.120 -0.001 0.000 0.286 182 V C 1.360 177.360 176.094 -0.155 0.000 1.034 182 V CA -0.923 61.417 62.300 0.066 0.000 0.893 182 V CB 1.821 33.661 31.823 0.029 0.000 0.982 182 V HN 0.525 nan 8.190 nan 0.000 0.452 183 G N 2.218 110.597 108.800 -0.702 0.000 4.084 183 G HA2 0.345 4.305 3.960 -0.001 0.000 0.293 183 G HA3 0.345 4.305 3.960 -0.001 0.000 0.293 183 G C 0.666 175.294 174.900 -0.454 0.000 1.303 183 G CA 0.431 44.822 45.100 -1.181 0.000 1.289 183 G HN 0.875 nan 8.290 nan 0.000 0.609 184 V N -2.531 117.298 119.914 -0.142 0.000 3.644 184 V HA 0.148 4.268 4.120 -0.001 0.000 0.267 184 V C 1.259 177.347 176.094 -0.011 0.000 1.277 184 V CA 0.909 63.220 62.300 0.018 0.000 1.096 184 V CB 0.549 32.451 31.823 0.131 0.000 0.828 184 V HN 0.298 nan 8.190 nan 0.000 0.446 185 D N 1.081 121.467 120.400 -0.023 0.000 2.398 185 D HA 0.045 4.685 4.640 -0.001 0.000 0.210 185 D C 0.539 176.835 176.300 -0.007 0.000 1.094 185 D CA -0.021 53.985 54.000 0.009 0.000 0.839 185 D CB -0.491 40.342 40.800 0.055 0.000 0.963 185 D HN 0.663 nan 8.370 nan 0.000 0.506 186 N N 0.618 119.295 118.700 -0.038 0.000 2.408 186 N HA 0.268 5.008 4.740 -0.001 0.000 0.260 186 N C 1.250 176.752 175.510 -0.015 0.000 1.242 186 N CA 0.079 53.119 53.050 -0.017 0.000 0.959 186 N CB 0.793 39.275 38.487 -0.008 0.000 1.201 186 N HN -0.089 nan 8.380 nan 0.000 0.511 187 A N 0.508 123.331 122.820 0.004 0.000 1.917 187 A HA -0.067 4.252 4.320 -0.001 0.000 0.219 187 A C 2.031 179.618 177.584 0.006 0.000 1.182 187 A CA 2.041 54.083 52.037 0.008 0.000 0.633 187 A CB -1.703 17.306 19.000 0.016 0.000 0.819 187 A HN 0.837 nan 8.150 nan 0.000 0.448 188 G N -0.826 107.974 108.800 -0.000 0.000 2.422 188 G HA2 0.038 3.998 3.960 -0.001 0.000 0.218 188 G HA3 0.038 3.998 3.960 -0.001 0.000 0.218 188 G C 1.708 176.569 174.900 -0.065 0.000 1.146 188 G CA 1.406 46.502 45.100 -0.006 0.000 0.769 188 G HN 0.798 nan 8.290 nan 0.000 0.547 189 A N 1.166 123.924 122.820 -0.102 0.000 1.855 189 A HA 0.010 4.330 4.320 -0.001 0.000 0.215 189 A C 2.293 179.813 177.584 -0.108 0.000 1.191 189 A CA 1.885 53.827 52.037 -0.158 0.000 0.613 189 A CB -0.388 18.526 19.000 -0.144 0.000 0.829 189 A HN 0.353 nan 8.150 nan 0.000 0.442 190 K N -0.085 120.284 120.400 -0.050 0.000 2.113 190 K HA -0.151 4.169 4.320 -0.001 0.000 0.208 190 K C 2.279 178.878 176.600 -0.002 0.000 1.047 190 K CA 1.202 57.477 56.287 -0.021 0.000 0.928 190 K CB -0.393 32.106 32.500 -0.000 0.000 0.716 190 K HN 0.464 nan 8.250 nan 0.000 0.446 191 A N 1.492 124.326 122.820 0.025 0.000 1.845 191 A HA -0.102 4.217 4.320 -0.001 0.000 0.215 191 A C 2.517 180.125 177.584 0.040 0.000 1.195 191 A CA 1.972 54.085 52.037 0.126 0.000 0.616 191 A CB -1.462 17.673 19.000 0.225 0.000 0.832 191 A HN 0.410 nan 8.150 nan 0.000 0.443 192 G N -0.241 108.426 108.800 -0.221 0.000 2.513 192 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.219 192 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.219 192 G C 1.513 176.187 174.900 -0.377 0.000 1.160 192 G CA 1.480 46.186 45.100 -0.657 0.000 0.767 192 G HN 0.493 nan 8.290 nan 0.000 0.571 193 L N 0.863 121.969 121.223 -0.196 0.000 2.056 193 L HA 0.046 4.386 4.340 -0.001 0.000 0.207 193 L C 2.994 179.839 176.870 -0.042 0.000 1.078 193 L CA 2.548 57.324 54.840 -0.106 0.000 0.749 193 L CB -1.039 40.983 42.059 -0.062 0.000 0.901 193 L HN 0.225 nan 8.230 nan 0.000 0.433 194 T N -0.395 114.160 114.554 0.001 0.000 2.684 194 T HA -0.264 4.086 4.350 -0.001 0.000 0.267 194 T C 1.681 176.422 174.700 0.070 0.000 1.036 194 T CA 2.000 64.126 62.100 0.043 0.000 1.148 194 T CB -0.703 68.210 68.868 0.076 0.000 0.863 194 T HN 0.397 nan 8.240 nan 0.000 0.436 195 F N 1.792 121.730 119.950 -0.020 0.000 2.091 195 F HA -0.126 4.401 4.527 -0.001 0.000 0.299 195 F C 2.012 177.798 175.800 -0.023 0.000 1.103 195 F CA 1.010 59.024 58.000 0.024 0.000 1.228 195 F CB -0.485 38.557 39.000 0.069 0.000 0.984 195 F HN 0.053 nan 8.300 nan 0.000 0.477 196 L N 0.041 121.267 121.223 0.006 0.000 2.083 196 L HA -0.115 4.225 4.340 -0.001 0.000 0.209 196 L C 2.211 179.042 176.870 -0.065 0.000 1.083 196 L CA 1.540 56.354 54.840 -0.045 0.000 0.752 196 L CB -1.117 40.926 42.059 -0.026 0.000 0.899 196 L HN 0.087 nan 8.230 nan 0.000 0.433 197 V N 0.131 120.015 119.914 -0.050 0.000 2.392 197 V HA -0.299 3.821 4.120 -0.001 0.000 0.249 197 V C 2.303 178.361 176.094 -0.060 0.000 1.059 197 V CA 2.027 64.303 62.300 -0.041 0.000 1.051 197 V CB -0.766 31.043 31.823 -0.022 0.000 0.658 197 V HN 0.481 nan 8.190 nan 0.000 0.455 198 D N -0.154 120.188 120.400 -0.097 0.000 2.117 198 D HA -0.096 4.543 4.640 -0.001 0.000 0.198 198 D C 2.227 178.467 176.300 -0.100 0.000 0.982 198 D CA 0.966 54.905 54.000 -0.103 0.000 0.828 198 D CB -0.221 40.505 40.800 -0.123 0.000 0.967 198 D HN 0.314 nan 8.370 nan 0.000 0.464 199 L N 0.810 121.926 121.223 -0.177 0.000 2.089 199 L HA -0.206 4.134 4.340 -0.001 0.000 0.213 199 L C 2.387 179.270 176.870 0.022 0.000 1.079 199 L CA 0.823 55.642 54.840 -0.035 0.000 0.758 199 L CB -0.372 41.668 42.059 -0.031 0.000 0.891 199 L HN 0.104 nan 8.230 nan 0.000 0.433 200 I N -0.094 120.463 120.570 -0.023 0.000 2.233 200 I HA -0.228 3.942 4.170 -0.001 0.000 0.243 200 I C 2.478 178.570 176.117 -0.041 0.000 1.093 200 I CA 1.386 62.669 61.300 -0.027 0.000 1.380 200 I CB -0.865 37.115 38.000 -0.033 0.000 1.067 200 I HN 0.277 nan 8.210 nan 0.000 0.413 201 K N 0.938 121.312 120.400 -0.044 0.000 2.032 201 K HA -0.144 4.175 4.320 -0.001 0.000 0.209 201 K C 1.305 177.862 176.600 -0.072 0.000 1.048 201 K CA 1.257 57.515 56.287 -0.048 0.000 0.927 201 K CB -0.228 32.250 32.500 -0.038 0.000 0.712 201 K HN 0.283 nan 8.250 nan 0.000 0.441 202 N N 1.436 120.084 118.700 -0.088 0.000 2.485 202 N HA -0.024 4.715 4.740 -0.001 0.000 0.199 202 N C -0.514 174.777 175.510 -0.366 0.000 1.236 202 N CA 0.442 53.379 53.050 -0.188 0.000 0.852 202 N CB 0.232 38.648 38.487 -0.118 0.000 1.018 202 N HN 0.166 nan 8.380 nan 0.000 0.457 203 K N -0.554 119.724 120.400 -0.203 0.000 3.048 203 K HA -0.223 4.097 4.320 -0.001 0.000 0.274 203 K C 0.082 176.581 176.600 -0.169 0.000 1.098 203 K CA 0.613 56.799 56.287 -0.168 0.000 0.807 203 K CB -1.300 31.109 32.500 -0.151 0.000 1.217 203 K HN 0.483 nan 8.250 nan 0.000 0.477 204 H N -0.899 118.168 119.070 -0.005 0.000 2.512 204 H HA 0.211 4.767 4.556 -0.001 0.000 0.279 204 H C 0.946 176.290 175.328 0.027 0.000 0.999 204 H CA 0.856 56.914 56.048 0.017 0.000 1.283 204 H CB 0.276 30.049 29.762 0.019 0.000 1.421 204 H HN 0.259 nan 8.280 nan 0.000 0.554 205 M N -0.011 119.649 119.600 0.100 0.000 2.531 205 M HA 0.200 4.680 4.480 -0.001 0.000 0.286 205 M C -0.428 175.865 176.300 -0.012 0.000 1.232 205 M CA -0.444 54.879 55.300 0.039 0.000 0.877 205 M CB 3.334 35.948 32.600 0.023 0.000 1.726 205 M HN -0.054 nan 8.290 nan 0.000 0.463 206 N N 0.311 118.991 118.700 -0.033 0.000 2.456 206 N HA 0.451 5.190 4.740 -0.001 0.000 0.288 206 N C 0.402 175.877 175.510 -0.060 0.000 1.059 206 N CA 0.070 53.096 53.050 -0.040 0.000 0.946 206 N CB 1.955 40.423 38.487 -0.032 0.000 1.150 206 N HN 0.836 nan 8.380 nan 0.000 0.479 207 A N 2.856 125.647 122.820 -0.048 0.000 2.121 207 A HA -0.108 4.212 4.320 -0.001 0.000 0.218 207 A C 1.210 178.764 177.584 -0.050 0.000 1.154 207 A CA 1.154 53.161 52.037 -0.049 0.000 0.679 207 A CB -0.043 18.937 19.000 -0.033 0.000 0.795 207 A HN 0.781 nan 8.150 nan 0.000 0.458 208 D N -0.287 120.086 120.400 -0.044 0.000 2.333 208 D HA -0.000 4.639 4.640 -0.001 0.000 0.208 208 D C 0.109 176.382 176.300 -0.044 0.000 0.984 208 D CA 0.487 54.465 54.000 -0.036 0.000 0.873 208 D CB -0.259 40.526 40.800 -0.025 0.000 0.935 208 D HN 0.242 nan 8.370 nan 0.000 0.521 209 T N 3.065 117.579 114.554 -0.068 0.000 2.831 209 T HA 0.067 4.417 4.350 -0.001 0.000 0.291 209 T C 0.263 174.911 174.700 -0.087 0.000 0.981 209 T CA 0.154 62.206 62.100 -0.081 0.000 1.174 209 T CB 0.633 69.427 68.868 -0.124 0.000 0.929 209 T HN 0.219 nan 8.240 nan 0.000 0.532 210 D N 1.727 122.096 120.400 -0.051 0.000 2.621 210 D HA 0.124 4.764 4.640 -0.001 0.000 0.255 210 D C 1.005 177.295 176.300 -0.016 0.000 1.122 210 D CA -1.068 52.916 54.000 -0.027 0.000 1.096 210 D CB 0.308 41.118 40.800 0.016 0.000 1.282 210 D HN 0.319 nan 8.370 nan 0.000 0.619 211 Y N 0.661 120.894 120.300 -0.111 0.000 2.151 211 Y HA -0.253 4.297 4.550 -0.000 0.000 0.284 211 Y C 2.502 178.385 175.900 -0.028 0.000 1.166 211 Y CA 3.274 61.308 58.100 -0.109 0.000 1.163 211 Y CB -0.253 38.163 38.460 -0.074 0.000 0.974 211 Y HN 0.457 nan 8.280 nan 0.000 0.511 212 S N -0.838 115.011 115.700 0.248 0.000 2.436 212 S HA -0.105 4.365 4.470 -0.001 0.000 0.228 212 S C 1.984 176.628 174.600 0.073 0.000 1.014 212 S CA 1.031 59.346 58.200 0.191 0.000 0.950 212 S CB -0.842 62.454 63.200 0.159 0.000 0.784 212 S HN 0.497 nan 8.310 nan 0.000 0.504 213 I N 2.503 123.095 120.570 0.037 0.000 2.113 213 I HA -0.149 4.021 4.170 -0.001 0.000 0.238 213 I C 3.135 179.253 176.117 0.002 0.000 1.070 213 I CA 1.302 62.611 61.300 0.014 0.000 1.332 213 I CB -0.738 37.261 38.000 -0.001 0.000 1.044 213 I HN 0.412 nan 8.210 nan 0.000 0.402 214 A N 0.158 122.956 122.820 -0.037 0.000 1.917 214 A HA -0.316 4.004 4.320 -0.001 0.000 0.219 214 A C 2.292 179.865 177.584 -0.019 0.000 1.182 214 A CA 2.282 54.297 52.037 -0.036 0.000 0.633 214 A CB -0.807 18.136 19.000 -0.096 0.000 0.819 214 A HN 0.568 nan 8.150 nan 0.000 0.448 215 E N -0.319 119.829 120.200 -0.087 0.000 2.077 215 E HA -0.094 4.256 4.350 -0.001 0.000 0.193 215 E C 2.082 178.723 176.600 0.067 0.000 0.989 215 E CA 1.089 57.461 56.400 -0.046 0.000 0.800 215 E CB -0.261 29.401 29.700 -0.062 0.000 0.746 215 E HN 0.550 nan 8.360 nan 0.000 0.452 216 A N 1.300 124.156 122.820 0.059 0.000 1.854 216 A HA 0.015 4.335 4.320 -0.001 0.000 0.214 216 A C 2.485 180.107 177.584 0.063 0.000 1.192 216 A CA 1.572 53.646 52.037 0.061 0.000 0.611 216 A CB -1.004 18.025 19.000 0.048 0.000 0.832 216 A HN 0.411 nan 8.150 nan 0.000 0.442 217 A N -1.007 121.851 122.820 0.063 0.000 1.915 217 A HA -0.231 4.088 4.320 -0.001 0.000 0.220 217 A C 2.107 179.742 177.584 0.084 0.000 1.198 217 A CA 2.089 54.165 52.037 0.064 0.000 0.647 217 A CB -0.827 18.215 19.000 0.070 0.000 0.825 217 A HN 0.776 nan 8.150 nan 0.000 0.456 218 F N 0.767 120.711 119.950 -0.010 0.000 2.149 218 F HA -0.064 4.462 4.527 -0.001 0.000 0.294 218 F C 1.859 177.642 175.800 -0.027 0.000 1.095 218 F CA 1.778 59.771 58.000 -0.012 0.000 1.276 218 F CB -0.182 38.810 39.000 -0.015 0.000 1.023 218 F HN 0.204 nan 8.300 nan 0.000 0.480 219 N N 0.583 119.376 118.700 0.155 0.000 2.381 219 N HA -0.107 4.633 4.740 -0.001 0.000 0.182 219 N C 1.494 176.971 175.510 -0.055 0.000 1.025 219 N CA 0.972 54.048 53.050 0.044 0.000 0.888 219 N CB -0.228 38.316 38.487 0.095 0.000 0.965 219 N HN 0.378 nan 8.380 nan 0.000 0.438 220 K N -1.095 119.276 120.400 -0.048 0.000 2.098 220 K HA 0.130 4.450 4.320 -0.001 0.000 0.203 220 K C 0.976 177.513 176.600 -0.104 0.000 1.051 220 K CA 1.025 57.279 56.287 -0.055 0.000 0.957 220 K CB 0.243 32.729 32.500 -0.023 0.000 0.738 220 K HN 0.248 nan 8.250 nan 0.000 0.447 221 G N 0.841 109.545 108.800 -0.161 0.000 2.227 221 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.168 221 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.168 221 G C 0.370 175.196 174.900 -0.124 0.000 1.006 221 G CA -0.057 44.930 45.100 -0.189 0.000 0.684 221 G HN 0.277 nan 8.290 nan 0.000 0.489 222 E N -0.156 119.999 120.200 -0.075 0.000 2.371 222 E HA 0.165 4.515 4.350 -0.001 0.000 0.194 222 E C 0.918 177.519 176.600 0.002 0.000 1.012 222 E CA 1.060 57.445 56.400 -0.025 0.000 0.860 222 E CB 0.496 30.194 29.700 -0.003 0.000 0.811 222 E HN 0.280 nan 8.360 nan 0.000 0.502 223 T N -1.350 113.209 114.554 0.008 0.000 2.893 223 T HA 0.509 4.858 4.350 -0.001 0.000 0.291 223 T C 0.366 175.126 174.700 0.101 0.000 1.028 223 T CA -0.198 61.955 62.100 0.088 0.000 0.995 223 T CB 1.711 70.683 68.868 0.173 0.000 1.051 223 T HN -0.016 nan 8.240 nan 0.000 0.470 224 A N 4.240 127.148 122.820 0.148 0.000 1.874 224 A HA 0.418 4.738 4.320 -0.001 0.000 0.214 224 A C 0.838 178.645 177.584 0.372 0.000 1.189 224 A CA 0.790 52.931 52.037 0.173 0.000 0.615 224 A CB -0.145 18.935 19.000 0.134 0.000 0.830 224 A HN 0.733 nan 8.150 nan 0.000 0.443 225 M N -1.707 118.103 119.600 0.349 0.000 2.644 225 M HA 0.531 5.010 4.480 -0.001 0.000 0.304 225 M C -0.523 175.905 176.300 0.213 0.000 1.215 225 M CA -0.313 55.169 55.300 0.304 0.000 0.871 225 M CB 2.526 35.213 32.600 0.145 0.000 1.740 225 M HN 0.162 nan 8.290 nan 0.000 0.464 226 T N 0.889 115.443 114.554 0.001 0.000 2.821 226 T HA 0.743 5.093 4.350 -0.001 0.000 0.306 226 T C -1.950 172.708 174.700 -0.069 0.000 1.313 226 T CA -0.608 61.466 62.100 -0.044 0.000 1.012 226 T CB 1.346 70.042 68.868 -0.286 0.000 1.298 226 T HN 0.589 nan 8.240 nan 0.000 0.502 227 I N 3.736 124.318 120.570 0.021 0.000 2.406 227 I HA 0.578 4.748 4.170 -0.001 0.000 0.290 227 I C -0.029 176.196 176.117 0.179 0.000 0.999 227 I CA -0.760 60.546 61.300 0.010 0.000 1.124 227 I CB 1.676 39.596 38.000 -0.133 0.000 1.289 227 I HN 0.592 nan 8.210 nan 0.000 0.441 228 N N 2.897 121.637 118.700 0.067 0.000 3.355 228 N HA 0.376 5.116 4.740 -0.001 0.000 0.238 228 N C -1.108 174.212 175.510 -0.316 0.000 1.466 228 N CA -0.367 52.714 53.050 0.052 0.000 0.882 228 N CB 2.321 40.780 38.487 -0.047 0.000 1.406 228 N HN 0.670 nan 8.380 nan 0.000 0.500 229 G N 0.321 108.592 108.800 -0.882 0.000 2.552 229 G HA2 0.473 4.433 3.960 -0.001 0.000 0.318 229 G HA3 0.473 4.433 3.960 -0.001 0.000 0.318 229 G C -1.841 172.034 174.900 -1.708 0.000 1.240 229 G CA -1.006 43.222 45.100 -1.452 0.000 1.002 229 G HN 0.325 nan 8.290 nan 0.000 0.493 230 P HA -0.172 nan 4.420 nan 0.000 0.216 230 P C 1.517 178.034 177.300 -1.305 0.000 1.154 230 P CA 2.134 63.996 63.100 -2.064 0.000 0.865 230 P CB -0.079 31.023 31.700 -0.997 0.000 0.789 231 W N -0.073 120.929 121.300 -0.497 0.000 2.364 231 W HA -0.000 4.659 4.660 -0.000 0.000 0.281 231 W C 1.871 178.313 176.519 -0.128 0.000 1.219 231 W CA 1.008 58.219 57.345 -0.224 0.000 1.220 231 W CB -1.956 27.431 29.460 -0.121 0.000 1.127 231 W HN -0.126 nan 8.180 nan 0.000 0.556 232 A N -0.060 122.502 122.820 -0.431 0.000 2.206 232 A HA 0.038 4.357 4.320 -0.001 0.000 0.211 232 A C 1.542 179.146 177.584 0.033 0.000 1.158 232 A CA 0.783 52.769 52.037 -0.084 0.000 0.761 232 A CB -1.110 17.784 19.000 -0.178 0.000 0.801 232 A HN 0.424 nan 8.150 nan 0.000 0.473 233 W N -0.048 121.222 121.300 -0.049 0.000 2.381 233 W HA -0.089 4.571 4.660 -0.001 0.000 0.301 233 W C 2.711 179.233 176.519 0.006 0.000 1.205 233 W CA 0.534 57.868 57.345 -0.019 0.000 1.285 233 W CB -1.514 27.990 29.460 0.073 0.000 1.133 233 W HN 0.405 nan 8.180 nan 0.000 0.521 234 S N 0.877 116.734 115.700 0.261 0.000 2.378 234 S HA -0.278 4.191 4.470 -0.001 0.000 0.229 234 S C 1.777 176.448 174.600 0.118 0.000 1.052 234 S CA 2.279 60.581 58.200 0.169 0.000 1.084 234 S CB -0.394 62.880 63.200 0.123 0.000 0.950 234 S HN 0.194 nan 8.310 nan 0.000 0.440 235 N N 1.313 120.077 118.700 0.107 0.000 2.062 235 N HA 0.055 4.795 4.740 -0.001 0.000 0.191 235 N C 1.839 177.371 175.510 0.036 0.000 1.042 235 N CA 1.605 54.702 53.050 0.077 0.000 0.845 235 N CB -0.746 37.800 38.487 0.098 0.000 1.024 235 N HN 0.460 nan 8.380 nan 0.000 0.424 236 I N 1.453 122.017 120.570 -0.010 0.000 2.185 236 I HA -0.309 3.861 4.170 -0.001 0.000 0.246 236 I C 1.375 177.402 176.117 -0.149 0.000 1.088 236 I CA 1.359 62.565 61.300 -0.156 0.000 1.347 236 I CB -0.470 37.222 38.000 -0.512 0.000 1.041 236 I HN 0.126 nan 8.210 nan 0.000 0.415 237 D N 0.630 121.011 120.400 -0.033 0.000 2.133 237 D HA -0.154 4.485 4.640 -0.001 0.000 0.195 237 D C 2.161 178.497 176.300 0.061 0.000 0.997 237 D CA 1.861 55.916 54.000 0.092 0.000 0.840 237 D CB -0.319 40.568 40.800 0.144 0.000 0.947 237 D HN 0.362 nan 8.370 nan 0.000 0.452 238 T N 0.394 114.974 114.554 0.043 0.000 2.821 238 T HA -0.109 4.240 4.350 -0.001 0.000 0.267 238 T C 2.063 176.777 174.700 0.023 0.000 1.046 238 T CA 1.490 63.612 62.100 0.036 0.000 1.139 238 T CB -0.224 68.667 68.868 0.038 0.000 0.871 238 T HN 0.208 nan 8.240 nan 0.000 0.454 239 S N 1.295 117.001 115.700 0.011 0.000 2.547 239 S HA -0.015 4.455 4.470 -0.001 0.000 0.235 239 S C 0.966 175.562 174.600 -0.007 0.000 0.980 239 S CA 0.555 58.753 58.200 -0.004 0.000 0.941 239 S CB -0.564 62.625 63.200 -0.018 0.000 0.763 239 S HN 0.567 nan 8.310 nan 0.000 0.532 240 K N -0.388 120.020 120.400 0.013 0.000 3.193 240 K HA -0.134 4.186 4.320 -0.001 0.000 0.294 240 K C -0.561 176.049 176.600 0.017 0.000 1.185 240 K CA 0.638 56.940 56.287 0.025 0.000 0.866 240 K CB -2.283 30.225 32.500 0.013 0.000 1.227 240 K HN 0.381 nan 8.250 nan 0.000 0.467 241 V N 1.681 121.592 119.914 -0.006 0.000 2.572 241 V HA -0.003 4.117 4.120 -0.001 0.000 0.291 241 V C 0.721 176.871 176.094 0.094 0.000 1.039 241 V CA -0.314 61.963 62.300 -0.039 0.000 1.055 241 V CB 1.075 32.792 31.823 -0.177 0.000 0.969 241 V HN 0.209 nan 8.190 nan 0.000 0.482 242 N N 4.681 123.407 118.700 0.043 0.000 2.415 242 N HA 0.310 5.050 4.740 -0.001 0.000 0.246 242 N C -0.926 174.610 175.510 0.044 0.000 1.078 242 N CA -0.253 52.827 53.050 0.050 0.000 0.942 242 N CB 0.130 38.602 38.487 -0.026 0.000 1.140 242 N HN 0.598 nan 8.380 nan 0.000 0.501 243 Y N 0.735 120.935 120.300 -0.166 0.000 2.576 243 Y HA 0.892 5.442 4.550 -0.001 0.000 0.346 243 Y C -0.010 175.665 175.900 -0.375 0.000 1.018 243 Y CA -1.561 56.398 58.100 -0.236 0.000 1.050 243 Y CB 0.848 39.314 38.460 0.010 0.000 1.280 243 Y HN 0.325 nan 8.280 nan 0.000 0.474 244 G N 0.194 108.590 108.800 -0.674 0.000 2.658 244 G HA2 0.616 4.576 3.960 -0.001 0.000 0.292 244 G HA3 0.616 4.576 3.960 -0.001 0.000 0.292 244 G C -2.199 172.623 174.900 -0.130 0.000 1.320 244 G CA -1.249 43.525 45.100 -0.542 0.000 0.933 244 G HN 0.704 nan 8.290 nan 0.000 0.476 245 V N 0.409 120.314 119.914 -0.015 0.000 2.443 245 V HA 0.689 4.809 4.120 -0.001 0.000 0.293 245 V C 0.110 176.268 176.094 0.106 0.000 1.021 245 V CA -0.456 61.896 62.300 0.087 0.000 0.848 245 V CB 1.038 32.843 31.823 -0.029 0.000 0.998 245 V HN 0.952 nan 8.190 nan 0.000 0.424 246 T N 2.895 117.524 114.554 0.124 0.000 2.831 246 T HA 0.574 4.924 4.350 -0.001 0.000 0.287 246 T C -0.712 173.976 174.700 -0.020 0.000 1.070 246 T CA -0.390 61.725 62.100 0.025 0.000 1.010 246 T CB 2.052 70.886 68.868 -0.058 0.000 1.264 246 T HN 0.465 nan 8.240 nan 0.000 0.532 247 V N 3.287 123.170 119.914 -0.053 0.000 2.740 247 V HA 0.339 4.459 4.120 -0.001 0.000 0.303 247 V C 0.304 176.344 176.094 -0.089 0.000 1.054 247 V CA -0.083 62.183 62.300 -0.056 0.000 1.106 247 V CB -0.123 31.666 31.823 -0.057 0.000 0.957 247 V HN 0.736 nan 8.190 nan 0.000 0.486 248 L N 8.119 129.297 121.223 -0.076 0.000 2.483 248 L HA 0.223 4.563 4.340 -0.001 0.000 0.275 248 L C -1.850 174.932 176.870 -0.146 0.000 1.220 248 L CA -1.255 53.517 54.840 -0.113 0.000 0.833 248 L CB -0.181 41.855 42.059 -0.039 0.000 1.102 248 L HN 0.543 nan 8.230 nan 0.000 0.490 249 P HA 0.017 nan 4.420 nan 0.000 0.270 249 P C -0.513 176.770 177.300 -0.027 0.000 1.227 249 P CA -0.239 62.655 63.100 -0.343 0.000 0.788 249 P CB 0.386 31.532 31.700 -0.924 0.000 0.926 250 T N -1.698 112.891 114.554 0.058 0.000 2.944 250 T HA 0.670 5.020 4.350 -0.001 0.000 0.284 250 T C -1.188 173.718 174.700 0.343 0.000 1.010 250 T CA -0.556 61.650 62.100 0.176 0.000 1.025 250 T CB 0.563 69.461 68.868 0.049 0.000 1.079 250 T HN 0.180 nan 8.240 nan 0.000 0.516 251 F N 1.510 121.495 119.950 0.058 0.000 2.539 251 F HA 0.518 5.045 4.527 -0.000 0.000 0.318 251 F C 0.301 176.037 175.800 -0.106 0.000 1.135 251 F CA -1.017 56.935 58.000 -0.079 0.000 0.915 251 F CB 1.484 40.338 39.000 -0.243 0.000 1.176 251 F HN 0.922 nan 8.300 nan 0.000 0.440 252 K N 4.582 124.548 120.400 -0.723 0.000 3.071 252 K HA -0.216 4.104 4.320 -0.001 0.000 0.262 252 K C 0.962 177.427 176.600 -0.224 0.000 0.977 252 K CA 0.883 56.860 56.287 -0.516 0.000 0.721 252 K CB -1.573 30.584 32.500 -0.572 0.000 1.293 252 K HN 1.361 nan 8.250 nan 0.000 0.475 253 G N -0.694 108.014 108.800 -0.152 0.000 2.363 253 G HA2 -0.369 3.591 3.960 -0.001 0.000 0.238 253 G HA3 -0.369 3.591 3.960 -0.001 0.000 0.238 253 G C 0.091 174.968 174.900 -0.037 0.000 1.062 253 G CA 0.649 45.701 45.100 -0.079 0.000 0.629 253 G HN 0.431 nan 8.290 nan 0.000 0.514 254 Q N 1.412 121.199 119.800 -0.022 0.000 2.260 254 Q HA 0.514 4.854 4.340 -0.001 0.000 0.238 254 Q C -2.586 173.440 176.000 0.044 0.000 0.948 254 Q CA -1.745 54.062 55.803 0.008 0.000 0.895 254 Q CB 1.493 30.238 28.738 0.010 0.000 1.218 254 Q HN 0.310 nan 8.270 nan 0.000 0.470 255 P HA 0.117 nan 4.420 nan 0.000 0.279 255 P C -0.915 176.410 177.300 0.041 0.000 1.252 255 P CA -0.475 62.649 63.100 0.039 0.000 0.811 255 P CB 0.829 32.535 31.700 0.010 0.000 1.035 256 S N 1.113 116.854 115.700 0.069 0.000 2.549 256 S HA 0.133 4.603 4.470 -0.001 0.000 0.283 256 S C 0.179 174.770 174.600 -0.015 0.000 1.320 256 S CA -0.240 57.984 58.200 0.040 0.000 1.058 256 S CB -0.244 63.032 63.200 0.127 0.000 0.882 256 S HN 0.262 nan 8.310 nan 0.000 0.498 257 K N 3.294 123.651 120.400 -0.073 0.000 2.423 257 K HA 0.297 4.617 4.320 -0.001 0.000 0.234 257 K C -2.795 173.770 176.600 -0.058 0.000 1.051 257 K CA -1.797 54.449 56.287 -0.068 0.000 1.021 257 K CB 0.766 33.207 32.500 -0.099 0.000 1.474 257 K HN 0.319 nan 8.250 nan 0.000 0.474 258 P HA -0.005 nan 4.420 nan 0.000 0.269 258 P C -0.521 176.831 177.300 0.087 0.000 1.215 258 P CA -0.214 62.897 63.100 0.018 0.000 0.780 258 P CB 0.397 32.089 31.700 -0.014 0.000 0.898 259 F N 0.930 121.005 119.950 0.208 0.000 2.504 259 F HA 0.087 4.614 4.527 -0.000 0.000 0.369 259 F C 0.531 176.464 175.800 0.221 0.000 1.082 259 F CA 0.101 58.245 58.000 0.240 0.000 1.216 259 F CB 0.133 39.315 39.000 0.303 0.000 1.108 259 F HN -0.034 nan 8.300 nan 0.000 0.554 260 V N 3.495 123.696 119.914 0.478 0.000 2.546 260 V HA 0.654 4.773 4.120 -0.001 0.000 0.284 260 V C 0.538 176.894 176.094 0.437 0.000 1.050 260 V CA -0.580 61.952 62.300 0.386 0.000 0.981 260 V CB 0.945 32.981 31.823 0.354 0.000 0.990 260 V HN 0.878 nan 8.190 nan 0.000 0.474 261 G N 2.566 111.587 108.800 0.369 0.000 2.524 261 G HA2 0.623 4.582 3.960 -0.001 0.000 0.310 261 G HA3 0.623 4.582 3.960 -0.001 0.000 0.310 261 G C -1.334 173.714 174.900 0.246 0.000 1.279 261 G CA -0.550 44.754 45.100 0.340 0.000 0.974 261 G HN 0.565 nan 8.290 nan 0.000 0.484 262 V N 2.762 122.845 119.914 0.282 0.000 2.313 262 V HA 0.234 4.354 4.120 -0.001 0.000 0.278 262 V C 0.035 176.132 176.094 0.004 0.000 1.017 262 V CA -0.839 61.480 62.300 0.032 0.000 0.823 262 V CB 1.139 32.815 31.823 -0.246 0.000 1.010 262 V HN 0.696 nan 8.190 nan 0.000 0.443 263 L N 5.650 126.868 121.223 -0.008 0.000 2.654 263 L HA 0.230 4.570 4.340 -0.001 0.000 0.271 263 L C 0.417 177.252 176.870 -0.058 0.000 1.169 263 L CA 1.154 55.982 54.840 -0.019 0.000 0.947 263 L CB 0.025 42.114 42.059 0.050 0.000 1.232 263 L HN 0.718 nan 8.230 nan 0.000 0.486 264 S N 3.677 119.274 115.700 -0.172 0.000 2.568 264 S HA 0.892 5.361 4.470 -0.001 0.000 0.302 264 S C -0.442 173.957 174.600 -0.335 0.000 1.082 264 S CA -0.385 57.608 58.200 -0.344 0.000 1.009 264 S CB 1.780 64.555 63.200 -0.707 0.000 1.069 264 S HN 0.907 nan 8.310 nan 0.000 0.500 265 A N 1.403 123.997 122.820 -0.378 0.000 2.303 265 A HA 0.798 5.118 4.320 -0.001 0.000 0.320 265 A C 0.137 177.679 177.584 -0.071 0.000 1.192 265 A CA -0.642 51.057 52.037 -0.563 0.000 0.821 265 A CB 0.693 19.088 19.000 -1.008 0.000 1.188 265 A HN 0.901 nan 8.150 nan 0.000 0.492 266 G N 1.282 110.149 108.800 0.111 0.000 2.495 266 G HA2 0.581 4.541 3.960 -0.001 0.000 0.318 266 G HA3 0.581 4.541 3.960 -0.001 0.000 0.318 266 G C -0.726 174.196 174.900 0.036 0.000 1.257 266 G CA -0.564 44.670 45.100 0.224 0.000 0.962 266 G HN 0.679 nan 8.290 nan 0.000 0.483 267 I N 1.979 122.582 120.570 0.056 0.000 2.331 267 I HA 0.144 4.313 4.170 -0.001 0.000 0.292 267 I C 0.103 176.236 176.117 0.027 0.000 0.998 267 I CA -0.977 60.346 61.300 0.038 0.000 1.267 267 I CB 1.509 39.548 38.000 0.066 0.000 1.386 267 I HN 0.328 nan 8.210 nan 0.000 0.476 268 N N 4.353 123.060 118.700 0.012 0.000 2.454 268 N HA 0.054 4.793 4.740 -0.001 0.000 0.260 268 N C 0.804 176.307 175.510 -0.012 0.000 1.218 268 N CA 0.240 53.299 53.050 0.015 0.000 0.904 268 N CB 1.598 40.062 38.487 -0.038 0.000 1.065 268 N HN 0.787 nan 8.380 nan 0.000 0.462 269 A N 3.627 126.437 122.820 -0.018 0.000 2.070 269 A HA -0.036 4.284 4.320 -0.001 0.000 0.220 269 A C 1.709 179.266 177.584 -0.046 0.000 1.159 269 A CA 1.731 53.753 52.037 -0.025 0.000 0.656 269 A CB -0.322 18.662 19.000 -0.026 0.000 0.800 269 A HN 0.728 nan 8.150 nan 0.000 0.453 270 A N -0.841 121.934 122.820 -0.076 0.000 2.308 270 A HA 0.389 4.708 4.320 -0.001 0.000 0.217 270 A C 1.260 178.803 177.584 -0.069 0.000 1.216 270 A CA 0.640 52.629 52.037 -0.080 0.000 0.864 270 A CB -0.388 18.542 19.000 -0.115 0.000 0.902 270 A HN 0.429 nan 8.150 nan 0.000 0.499 271 S N 1.286 116.950 115.700 -0.059 0.000 2.531 271 S HA 0.294 4.764 4.470 -0.001 0.000 0.279 271 S C -1.341 173.241 174.600 -0.030 0.000 1.305 271 S CA -0.968 57.202 58.200 -0.050 0.000 1.058 271 S CB 0.790 63.965 63.200 -0.043 0.000 0.899 271 S HN 0.292 nan 8.310 nan 0.000 0.493 272 P HA 0.167 nan 4.420 nan 0.000 0.253 272 P C -0.373 176.926 177.300 -0.003 0.000 1.260 272 P CA 0.179 63.270 63.100 -0.014 0.000 0.800 272 P CB -0.027 31.663 31.700 -0.017 0.000 1.162 273 N N 0.138 118.837 118.700 -0.001 0.000 2.351 273 N HA 0.110 4.850 4.740 -0.001 0.000 0.254 273 N C 0.977 176.502 175.510 0.025 0.000 1.241 273 N CA -0.195 52.863 53.050 0.013 0.000 0.883 273 N CB 0.266 38.758 38.487 0.009 0.000 1.202 273 N HN 0.168 nan 8.380 nan 0.000 0.512 274 K N 0.457 120.871 120.400 0.024 0.000 2.281 274 K HA -0.134 4.186 4.320 -0.001 0.000 0.203 274 K C 0.681 177.316 176.600 0.058 0.000 1.046 274 K CA 1.227 57.537 56.287 0.039 0.000 0.938 274 K CB 0.336 32.856 32.500 0.033 0.000 0.737 274 K HN 0.201 nan 8.250 nan 0.000 0.458 275 E N 0.656 120.888 120.200 0.054 0.000 2.132 275 E HA 0.032 4.382 4.350 -0.001 0.000 0.193 275 E C 1.873 178.521 176.600 0.081 0.000 0.951 275 E CA 0.254 56.691 56.400 0.062 0.000 0.843 275 E CB -0.184 29.546 29.700 0.050 0.000 0.807 275 E HN 0.049 nan 8.360 nan 0.000 0.467 276 L N 0.887 122.164 121.223 0.089 0.000 2.043 276 L HA -0.257 4.083 4.340 -0.001 0.000 0.212 276 L C 2.386 179.326 176.870 0.116 0.000 1.075 276 L CA 1.410 56.338 54.840 0.147 0.000 0.752 276 L CB -0.543 41.600 42.059 0.141 0.000 0.891 276 L HN 0.187 nan 8.230 nan 0.000 0.432 277 A N 0.196 123.050 122.820 0.056 0.000 1.845 277 A HA -0.286 4.034 4.320 -0.001 0.000 0.215 277 A C 2.343 179.968 177.584 0.068 0.000 1.195 277 A CA 2.062 54.118 52.037 0.033 0.000 0.616 277 A CB -0.611 18.411 19.000 0.036 0.000 0.832 277 A HN 0.363 nan 8.150 nan 0.000 0.443 278 K N -0.667 119.787 120.400 0.090 0.000 2.107 278 K HA -0.268 4.052 4.320 -0.001 0.000 0.211 278 K C 1.930 178.513 176.600 -0.028 0.000 1.049 278 K CA 1.993 58.325 56.287 0.077 0.000 0.927 278 K CB -0.135 32.426 32.500 0.101 0.000 0.714 278 K HN 0.463 nan 8.250 nan 0.000 0.452 279 E N -0.126 120.094 120.200 0.034 0.000 2.046 279 E HA -0.160 4.190 4.350 -0.001 0.000 0.190 279 E C 1.812 178.416 176.600 0.008 0.000 0.982 279 E CA 1.023 57.462 56.400 0.064 0.000 0.800 279 E CB -0.311 29.507 29.700 0.198 0.000 0.756 279 E HN 0.375 nan 8.360 nan 0.000 0.449 280 F N 1.733 121.481 119.950 -0.336 0.000 2.043 280 F HA -0.250 4.277 4.527 -0.000 0.000 0.297 280 F C 2.230 177.884 175.800 -0.244 0.000 1.121 280 F CA 1.561 59.154 58.000 -0.679 0.000 1.199 280 F CB -0.428 38.043 39.000 -0.882 0.000 0.968 280 F HN -0.069 nan 8.300 nan 0.000 0.478 281 L N 0.013 121.212 121.223 -0.040 0.000 1.994 281 L HA -0.224 4.115 4.340 -0.001 0.000 0.208 281 L C 2.462 179.190 176.870 -0.235 0.000 1.071 281 L CA 1.951 56.718 54.840 -0.123 0.000 0.745 281 L CB -0.910 41.053 42.059 -0.160 0.000 0.892 281 L HN 0.205 nan 8.230 nan 0.000 0.431 282 E N -0.037 119.964 120.200 -0.333 0.000 2.152 282 E HA -0.144 4.206 4.350 -0.001 0.000 0.192 282 E C 1.193 177.739 176.600 -0.090 0.000 0.983 282 E CA 1.271 57.421 56.400 -0.416 0.000 0.818 282 E CB 0.003 29.242 29.700 -0.768 0.000 0.758 282 E HN 0.607 nan 8.360 nan 0.000 0.467 283 N N -1.787 116.920 118.700 0.012 0.000 2.166 283 N HA 0.073 4.813 4.740 -0.001 0.000 0.213 283 N C 0.342 175.932 175.510 0.132 0.000 1.222 283 N CA -0.013 53.114 53.050 0.130 0.000 0.900 283 N CB 0.653 39.263 38.487 0.205 0.000 1.055 283 N HN 0.011 nan 8.380 nan 0.000 0.515 284 Y N -0.512 119.664 120.300 -0.206 0.000 2.701 284 Y HA 0.302 4.852 4.550 -0.000 0.000 0.275 284 Y C 1.515 177.190 175.900 -0.375 0.000 1.133 284 Y CA -0.222 57.710 58.100 -0.281 0.000 1.241 284 Y CB -0.036 38.196 38.460 -0.379 0.000 1.389 284 Y HN -0.060 nan 8.280 nan 0.000 0.486 285 L N -0.214 120.805 121.223 -0.340 0.000 2.130 285 L HA 0.177 4.516 4.340 -0.001 0.000 0.200 285 L C 0.757 177.583 176.870 -0.073 0.000 1.075 285 L CA 1.522 56.223 54.840 -0.232 0.000 0.768 285 L CB -0.374 41.573 42.059 -0.187 0.000 0.933 285 L HN 0.022 nan 8.230 nan 0.000 0.451 286 L N 1.781 122.995 121.223 -0.015 0.000 2.533 286 L HA 0.183 4.523 4.340 -0.001 0.000 0.239 286 L C -0.267 176.635 176.870 0.053 0.000 1.376 286 L CA 0.007 54.884 54.840 0.062 0.000 1.240 286 L CB -1.576 40.605 42.059 0.202 0.000 1.487 286 L HN 0.425 nan 8.230 nan 0.000 0.419 287 T N -5.689 108.846 114.554 -0.031 0.000 2.883 287 T HA 0.232 4.582 4.350 -0.001 0.000 0.301 287 T C 0.629 175.250 174.700 -0.132 0.000 1.158 287 T CA -0.848 61.218 62.100 -0.056 0.000 1.007 287 T CB 2.155 70.974 68.868 -0.082 0.000 1.186 287 T HN 0.099 nan 8.240 nan 0.000 0.499 288 D N 0.525 120.855 120.400 -0.118 0.000 2.178 288 D HA -0.097 4.542 4.640 -0.001 0.000 0.201 288 D C 1.369 177.463 176.300 -0.345 0.000 0.980 288 D CA 1.438 55.316 54.000 -0.205 0.000 0.842 288 D CB 0.298 41.083 40.800 -0.025 0.000 0.948 288 D HN 0.642 nan 8.370 nan 0.000 0.472 289 E N 0.216 120.293 120.200 -0.206 0.000 2.122 289 E HA -0.003 4.347 4.350 -0.001 0.000 0.190 289 E C 2.113 178.600 176.600 -0.189 0.000 0.977 289 E CA 0.782 57.077 56.400 -0.176 0.000 0.820 289 E CB -0.508 29.120 29.700 -0.120 0.000 0.770 289 E HN 0.243 nan 8.360 nan 0.000 0.462 290 G N 0.740 109.432 108.800 -0.180 0.000 2.404 290 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.214 290 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.214 290 G C 1.530 176.345 174.900 -0.141 0.000 1.189 290 G CA 0.416 45.434 45.100 -0.136 0.000 0.789 290 G HN 0.132 nan 8.290 nan 0.000 0.533 291 L N 0.583 121.691 121.223 -0.191 0.000 2.089 291 L HA -0.189 4.151 4.340 -0.001 0.000 0.213 291 L C 2.750 179.504 176.870 -0.192 0.000 1.079 291 L CA 1.858 56.597 54.840 -0.169 0.000 0.758 291 L CB -0.420 41.521 42.059 -0.197 0.000 0.891 291 L HN 0.416 nan 8.230 nan 0.000 0.433 292 E N 0.367 120.334 120.200 -0.388 0.000 2.085 292 E HA -0.264 4.086 4.350 -0.001 0.000 0.194 292 E C 2.210 178.789 176.600 -0.036 0.000 0.994 292 E CA 1.310 57.596 56.400 -0.190 0.000 0.801 292 E CB -0.038 29.536 29.700 -0.210 0.000 0.743 292 E HN 0.447 nan 8.360 nan 0.000 0.453 293 A N 0.389 123.176 122.820 -0.055 0.000 1.873 293 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 293 A C 2.429 180.012 177.584 -0.000 0.000 1.193 293 A CA 1.929 53.958 52.037 -0.013 0.000 0.629 293 A CB -0.855 18.140 19.000 -0.008 0.000 0.826 293 A HN 0.239 nan 8.150 nan 0.000 0.447 294 V N 0.341 120.253 119.914 -0.003 0.000 2.255 294 V HA -0.226 3.893 4.120 -0.001 0.000 0.243 294 V C 2.366 178.478 176.094 0.031 0.000 1.038 294 V CA 2.220 64.520 62.300 -0.001 0.000 1.008 294 V CB -1.191 30.631 31.823 -0.002 0.000 0.645 294 V HN 0.749 nan 8.190 nan 0.000 0.449 295 N N 0.148 118.893 118.700 0.074 0.000 2.258 295 N HA -0.231 4.509 4.740 -0.001 0.000 0.187 295 N C 1.714 177.301 175.510 0.128 0.000 1.012 295 N CA 1.522 54.652 53.050 0.134 0.000 0.870 295 N CB -0.163 38.464 38.487 0.233 0.000 0.977 295 N HN 0.454 nan 8.380 nan 0.000 0.434 296 K N -0.322 120.136 120.400 0.097 0.000 2.026 296 K HA -0.147 4.173 4.320 -0.001 0.000 0.208 296 K C 1.521 178.152 176.600 0.052 0.000 1.048 296 K CA 1.498 57.833 56.287 0.079 0.000 0.929 296 K CB -0.204 32.331 32.500 0.057 0.000 0.713 296 K HN 0.258 nan 8.250 nan 0.000 0.439 297 D N 0.371 120.780 120.400 0.015 0.000 2.075 297 D HA -0.068 4.572 4.640 -0.001 0.000 0.196 297 D C -0.117 176.176 176.300 -0.011 0.000 0.985 297 D CA 1.361 55.341 54.000 -0.033 0.000 0.834 297 D CB 0.386 41.122 40.800 -0.107 0.000 0.987 297 D HN -0.171 nan 8.370 nan 0.000 0.452 298 K N 0.273 120.678 120.400 0.007 0.000 2.541 298 K HA 0.374 4.694 4.320 -0.001 0.000 0.250 298 K C -2.678 173.976 176.600 0.090 0.000 0.950 298 K CA -2.188 54.133 56.287 0.057 0.000 0.805 298 K CB 1.987 34.511 32.500 0.039 0.000 1.166 298 K HN -0.026 nan 8.250 nan 0.000 0.430 299 P HA 0.086 nan 4.420 nan 0.000 0.263 299 P C 0.723 178.069 177.300 0.077 0.000 1.195 299 P CA 0.052 63.234 63.100 0.137 0.000 0.762 299 P CB 0.516 32.344 31.700 0.214 0.000 0.799 300 L N 2.189 123.478 121.223 0.109 0.000 2.217 300 L HA 0.070 4.410 4.340 -0.001 0.000 0.211 300 L C 1.613 178.530 176.870 0.080 0.000 1.107 300 L CA 1.490 56.393 54.840 0.105 0.000 0.783 300 L CB -0.776 41.356 42.059 0.123 0.000 0.919 300 L HN 0.751 nan 8.230 nan 0.000 0.442 301 G N -0.692 108.144 108.800 0.060 0.000 2.545 301 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.211 301 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.211 301 G C -0.484 174.476 174.900 0.100 0.000 1.167 301 G CA -0.304 44.819 45.100 0.039 0.000 1.151 301 G HN 0.311 nan 8.290 nan 0.000 0.581 302 A N 0.385 123.249 122.820 0.073 0.000 2.650 302 A HA 0.667 4.987 4.320 -0.001 0.000 0.320 302 A C 0.560 178.178 177.584 0.056 0.000 1.466 302 A CA 0.165 52.228 52.037 0.044 0.000 1.099 302 A CB 0.093 19.090 19.000 -0.005 0.000 1.136 302 A HN 1.663 nan 8.150 nan 0.000 0.532 303 V N 2.198 122.171 119.914 0.100 0.000 2.673 303 V HA 0.069 4.188 4.120 -0.001 0.000 0.303 303 V C 1.667 177.851 176.094 0.150 0.000 1.046 303 V CA 1.027 63.413 62.300 0.143 0.000 1.126 303 V CB 0.942 32.908 31.823 0.240 0.000 0.934 303 V HN 0.959 nan 8.190 nan 0.000 0.487 304 A N 4.988 127.887 122.820 0.133 0.000 2.119 304 A HA 0.078 4.398 4.320 -0.001 0.000 0.216 304 A C 1.056 178.784 177.584 0.240 0.000 1.152 304 A CA 0.281 52.429 52.037 0.186 0.000 0.708 304 A CB -0.205 18.814 19.000 0.031 0.000 0.805 304 A HN 0.690 nan 8.150 nan 0.000 0.460 305 L N 0.985 122.295 121.223 0.145 0.000 2.515 305 L HA 0.152 4.491 4.340 -0.001 0.000 0.281 305 L C 1.089 178.045 176.870 0.143 0.000 1.131 305 L CA 0.251 55.134 54.840 0.072 0.000 0.905 305 L CB -0.333 41.757 42.059 0.052 0.000 1.246 305 L HN 0.284 nan 8.230 nan 0.000 0.463 306 K N 1.927 122.315 120.400 -0.020 0.000 2.071 306 K HA -0.280 4.040 4.320 -0.001 0.000 0.217 306 K C 2.076 178.710 176.600 0.058 0.000 1.054 306 K CA 2.058 58.275 56.287 -0.117 0.000 0.937 306 K CB -0.298 31.927 32.500 -0.459 0.000 0.719 306 K HN 0.844 nan 8.250 nan 0.000 0.454 307 S N -0.125 115.590 115.700 0.025 0.000 2.401 307 S HA -0.274 4.195 4.470 -0.001 0.000 0.236 307 S C 1.887 176.578 174.600 0.151 0.000 1.058 307 S CA 2.000 60.242 58.200 0.070 0.000 1.151 307 S CB -0.424 62.809 63.200 0.055 0.000 1.049 307 S HN 0.437 nan 8.310 nan 0.000 0.432 308 Y N 1.753 122.077 120.300 0.039 0.000 2.314 308 Y HA 0.196 4.746 4.550 -0.000 0.000 0.294 308 Y C 2.483 178.425 175.900 0.070 0.000 1.119 308 Y CA 1.503 59.632 58.100 0.047 0.000 1.179 308 Y CB -0.576 37.909 38.460 0.042 0.000 1.025 308 Y HN 0.307 nan 8.280 nan 0.000 0.541 309 E N 1.099 121.389 120.200 0.150 0.000 2.114 309 E HA -0.285 4.064 4.350 -0.001 0.000 0.199 309 E C 1.673 178.279 176.600 0.010 0.000 1.008 309 E CA 2.139 58.587 56.400 0.081 0.000 0.810 309 E CB -0.038 29.802 29.700 0.234 0.000 0.739 309 E HN 0.703 nan 8.360 nan 0.000 0.456 310 E N 0.138 120.374 120.200 0.060 0.000 2.072 310 E HA -0.175 4.175 4.350 -0.001 0.000 0.191 310 E C 2.108 178.686 176.600 -0.037 0.000 0.985 310 E CA 0.966 57.384 56.400 0.030 0.000 0.801 310 E CB -0.180 29.556 29.700 0.059 0.000 0.750 310 E HN 0.344 nan 8.360 nan 0.000 0.452 311 E N 0.259 120.415 120.200 -0.074 0.000 2.333 311 E HA -0.177 4.172 4.350 -0.001 0.000 0.198 311 E C 1.574 178.055 176.600 -0.197 0.000 1.007 311 E CA 0.523 56.854 56.400 -0.115 0.000 0.845 311 E CB 0.240 29.884 29.700 -0.093 0.000 0.766 311 E HN 0.097 nan 8.360 nan 0.000 0.507 312 L N -0.876 120.191 121.223 -0.259 0.000 2.642 312 L HA 0.356 4.696 4.340 -0.001 0.000 0.233 312 L C 1.678 178.466 176.870 -0.135 0.000 1.077 312 L CA 0.762 55.437 54.840 -0.275 0.000 0.879 312 L CB 0.302 42.084 42.059 -0.462 0.000 1.151 312 L HN 0.057 nan 8.230 nan 0.000 0.495 313 A N -0.694 122.068 122.820 -0.096 0.000 2.255 313 A HA -0.051 4.268 4.320 -0.001 0.000 0.206 313 A C 1.559 179.109 177.584 -0.056 0.000 1.193 313 A CA 0.538 52.539 52.037 -0.059 0.000 0.794 313 A CB -0.677 18.296 19.000 -0.045 0.000 0.794 313 A HN 0.390 nan 8.150 nan 0.000 0.481 314 K N 0.579 120.940 120.400 -0.065 0.000 2.504 314 K HA 0.038 4.357 4.320 -0.001 0.000 0.199 314 K C -0.422 176.135 176.600 -0.073 0.000 1.028 314 K CA -0.128 56.123 56.287 -0.061 0.000 1.164 314 K CB 0.169 32.635 32.500 -0.056 0.000 0.877 314 K HN 0.332 nan 8.250 nan 0.000 0.508 315 D N 1.125 121.478 120.400 -0.078 0.000 2.232 315 D HA 0.110 4.749 4.640 -0.001 0.000 0.242 315 D C -1.965 174.265 176.300 -0.117 0.000 1.093 315 D CA -2.400 51.537 54.000 -0.106 0.000 0.845 315 D CB 1.925 42.664 40.800 -0.102 0.000 1.124 315 D HN -0.164 nan 8.370 nan 0.000 0.467 316 P HA -0.020 nan 4.420 nan 0.000 0.222 316 P C 1.121 178.324 177.300 -0.162 0.000 1.147 316 P CA 0.849 63.866 63.100 -0.138 0.000 0.790 316 P CB 0.416 32.025 31.700 -0.152 0.000 0.780 317 R N -0.436 119.899 120.500 -0.275 0.000 2.066 317 R HA 0.002 4.341 4.340 -0.001 0.000 0.232 317 R C 2.298 178.556 176.300 -0.070 0.000 1.131 317 R CA 1.240 57.106 56.100 -0.389 0.000 0.955 317 R CB -0.937 28.731 30.300 -1.053 0.000 0.851 317 R HN 0.237 nan 8.270 nan 0.000 0.432 318 I N 0.916 121.492 120.570 0.010 0.000 2.315 318 I HA -0.190 3.979 4.170 -0.001 0.000 0.248 318 I C 2.653 178.801 176.117 0.052 0.000 1.117 318 I CA 0.955 62.342 61.300 0.145 0.000 1.404 318 I CB -0.476 37.586 38.000 0.104 0.000 1.071 318 I HN 0.155 nan 8.210 nan 0.000 0.419 319 A N 1.166 123.981 122.820 -0.008 0.000 1.892 319 A HA -0.267 4.053 4.320 -0.001 0.000 0.218 319 A C 2.564 180.142 177.584 -0.011 0.000 1.188 319 A CA 2.337 54.359 52.037 -0.024 0.000 0.631 319 A CB -0.922 18.051 19.000 -0.046 0.000 0.822 319 A HN 0.449 nan 8.150 nan 0.000 0.447 320 A N -1.432 121.388 122.820 0.001 0.000 1.898 320 A HA -0.036 4.284 4.320 -0.001 0.000 0.216 320 A C 2.291 179.900 177.584 0.041 0.000 1.181 320 A CA 2.182 54.229 52.037 0.017 0.000 0.620 320 A CB -1.298 17.719 19.000 0.028 0.000 0.819 320 A HN 0.437 nan 8.150 nan 0.000 0.442 321 T N 0.291 114.900 114.554 0.092 0.000 2.699 321 T HA -0.187 4.163 4.350 -0.001 0.000 0.268 321 T C 1.918 176.638 174.700 0.034 0.000 1.036 321 T CA 1.829 63.983 62.100 0.091 0.000 1.147 321 T CB -0.276 68.682 68.868 0.150 0.000 0.862 321 T HN 0.283 nan 8.240 nan 0.000 0.446 322 M N 0.824 120.431 119.600 0.011 0.000 2.200 322 M HA 0.054 4.533 4.480 -0.001 0.000 0.265 322 M C 2.254 178.531 176.300 -0.038 0.000 1.066 322 M CA 1.097 56.378 55.300 -0.032 0.000 1.127 322 M CB -1.109 31.458 32.600 -0.054 0.000 1.379 322 M HN 0.361 nan 8.290 nan 0.000 0.420 323 E N 0.430 120.615 120.200 -0.025 0.000 2.077 323 E HA -0.187 4.163 4.350 -0.001 0.000 0.193 323 E C 1.742 178.329 176.600 -0.021 0.000 0.989 323 E CA 1.031 57.415 56.400 -0.028 0.000 0.800 323 E CB 0.160 29.845 29.700 -0.026 0.000 0.746 323 E HN 0.467 nan 8.360 nan 0.000 0.452 324 N N 0.233 118.927 118.700 -0.009 0.000 2.216 324 N HA -0.112 4.628 4.740 -0.001 0.000 0.183 324 N C 1.741 177.254 175.510 0.005 0.000 1.017 324 N CA 1.001 54.049 53.050 -0.004 0.000 0.861 324 N CB -0.184 38.302 38.487 -0.002 0.000 0.986 324 N HN 0.182 nan 8.380 nan 0.000 0.428 325 A N 1.372 124.197 122.820 0.008 0.000 1.892 325 A HA -0.253 4.067 4.320 -0.001 0.000 0.218 325 A C 2.251 179.833 177.584 -0.003 0.000 1.188 325 A CA 1.697 53.745 52.037 0.019 0.000 0.631 325 A CB -0.789 18.206 19.000 -0.008 0.000 0.822 325 A HN 0.206 nan 8.150 nan 0.000 0.447 326 Q N -0.135 119.644 119.800 -0.035 0.000 2.029 326 Q HA -0.221 4.118 4.340 -0.001 0.000 0.209 326 Q C 1.798 177.790 176.000 -0.013 0.000 0.999 326 Q CA 2.525 58.303 55.803 -0.041 0.000 0.857 326 Q CB -0.304 28.406 28.738 -0.046 0.000 0.926 326 Q HN 0.598 nan 8.270 nan 0.000 0.415 327 K N -0.309 120.086 120.400 -0.008 0.000 2.504 327 K HA 0.133 4.452 4.320 -0.001 0.000 0.195 327 K C 0.670 177.274 176.600 0.007 0.000 1.036 327 K CA 0.545 56.831 56.287 -0.002 0.000 0.984 327 K CB -0.162 32.334 32.500 -0.006 0.000 0.788 327 K HN 0.315 nan 8.250 nan 0.000 0.488 328 G N 0.194 109.008 108.800 0.023 0.000 2.588 328 G HA2 0.200 4.160 3.960 -0.001 0.000 0.278 328 G HA3 0.200 4.160 3.960 -0.001 0.000 0.278 328 G C -0.627 174.318 174.900 0.074 0.000 1.307 328 G CA -0.475 44.652 45.100 0.046 0.000 1.016 328 G HN 0.101 nan 8.290 nan 0.000 0.503 329 E N -1.550 118.716 120.200 0.109 0.000 2.359 329 E HA 0.422 4.772 4.350 -0.001 0.000 0.266 329 E C -0.890 175.903 176.600 0.322 0.000 0.920 329 E CA -0.758 55.749 56.400 0.178 0.000 0.788 329 E CB 2.912 32.708 29.700 0.159 0.000 1.279 329 E HN 0.339 nan 8.360 nan 0.000 0.438 330 I N 1.454 122.229 120.570 0.342 0.000 2.499 330 I HA 0.222 4.391 4.170 -0.001 0.000 0.296 330 I C -0.214 176.159 176.117 0.428 0.000 0.992 330 I CA -0.467 61.070 61.300 0.395 0.000 1.297 330 I CB 0.742 38.916 38.000 0.289 0.000 1.410 330 I HN 0.464 nan 8.210 nan 0.000 0.507 331 M N 8.438 128.283 119.600 0.409 0.000 2.246 331 M HA 0.217 4.697 4.480 -0.001 0.000 0.350 331 M C -2.201 174.160 176.300 0.101 0.000 1.406 331 M CA -1.332 54.007 55.300 0.065 0.000 1.089 331 M CB 0.151 32.638 32.600 -0.188 0.000 1.782 331 M HN 0.297 nan 8.290 nan 0.000 0.457 332 P HA 0.003 nan 4.420 nan 0.000 0.266 332 P C -0.312 176.918 177.300 -0.117 0.000 1.195 332 P CA 0.074 63.065 63.100 -0.182 0.000 0.768 332 P CB 0.341 31.625 31.700 -0.693 0.000 0.838 333 N N 3.262 121.981 118.700 0.031 0.000 2.236 333 N HA 0.001 4.740 4.740 -0.001 0.000 0.196 333 N C 0.707 176.190 175.510 -0.045 0.000 1.114 333 N CA -0.120 52.934 53.050 0.007 0.000 0.859 333 N CB -0.771 37.792 38.487 0.127 0.000 0.982 333 N HN 0.439 nan 8.380 nan 0.000 0.493 334 I N -2.156 118.401 120.570 -0.022 0.000 3.205 334 I HA 0.081 4.251 4.170 -0.001 0.000 0.287 334 I C -1.532 174.525 176.117 -0.101 0.000 1.266 334 I CA -1.054 60.238 61.300 -0.014 0.000 1.378 334 I CB 0.197 38.157 38.000 -0.067 0.000 1.347 334 I HN -0.256 nan 8.210 nan 0.000 0.603 335 P HA -0.128 nan 4.420 nan 0.000 0.216 335 P C 1.266 178.531 177.300 -0.059 0.000 1.153 335 P CA 1.469 64.520 63.100 -0.082 0.000 0.848 335 P CB 0.043 31.721 31.700 -0.038 0.000 0.787 336 Q N -1.546 118.201 119.800 -0.090 0.000 2.297 336 Q HA -0.173 4.167 4.340 -0.001 0.000 0.208 336 Q C 2.058 178.112 176.000 0.090 0.000 0.981 336 Q CA 1.215 56.988 55.803 -0.049 0.000 0.876 336 Q CB -1.024 27.578 28.738 -0.227 0.000 0.921 336 Q HN 0.124 nan 8.270 nan 0.000 0.446 337 M N 0.176 119.798 119.600 0.037 0.000 2.146 337 M HA -0.251 4.228 4.480 -0.001 0.000 0.256 337 M C 1.837 178.246 176.300 0.181 0.000 1.075 337 M CA 2.142 57.493 55.300 0.085 0.000 1.082 337 M CB -0.515 32.058 32.600 -0.045 0.000 1.355 337 M HN 0.321 nan 8.290 nan 0.000 0.402 338 S N -0.961 114.850 115.700 0.185 0.000 2.461 338 S HA 0.114 4.584 4.470 -0.001 0.000 0.228 338 S C 2.038 176.783 174.600 0.241 0.000 1.005 338 S CA 0.671 59.026 58.200 0.258 0.000 0.942 338 S CB -0.768 62.507 63.200 0.126 0.000 0.776 338 S HN 0.511 nan 8.310 nan 0.000 0.514 339 A N 1.393 124.330 122.820 0.196 0.000 1.929 339 A HA 0.129 4.448 4.320 -0.001 0.000 0.216 339 A C 1.866 179.605 177.584 0.259 0.000 1.176 339 A CA 1.167 53.327 52.037 0.205 0.000 0.628 339 A CB -1.049 18.049 19.000 0.162 0.000 0.816 339 A HN 0.620 nan 8.150 nan 0.000 0.444 340 F N -0.624 119.373 119.950 0.077 0.000 2.046 340 F HA -0.224 4.302 4.527 -0.001 0.000 0.297 340 F C 2.052 177.795 175.800 -0.094 0.000 1.123 340 F CA 1.885 59.807 58.000 -0.130 0.000 1.199 340 F CB -0.696 38.044 39.000 -0.433 0.000 0.972 340 F HN 0.390 nan 8.300 nan 0.000 0.474 341 W N -0.964 120.270 121.300 -0.111 0.000 2.338 341 W HA -0.263 4.397 4.660 -0.000 0.000 0.304 341 W C 2.550 178.977 176.519 -0.154 0.000 1.212 341 W CA 1.428 58.631 57.345 -0.238 0.000 1.264 341 W CB -0.836 28.627 29.460 0.005 0.000 1.142 341 W HN 0.296 nan 8.180 nan 0.000 0.512 342 Y N 0.962 121.329 120.300 0.111 0.000 2.163 342 Y HA -0.190 4.360 4.550 -0.001 0.000 0.288 342 Y C 2.302 178.194 175.900 -0.013 0.000 1.136 342 Y CA 2.074 60.204 58.100 0.049 0.000 1.147 342 Y CB -0.998 37.488 38.460 0.043 0.000 0.987 342 Y HN -0.102 nan 8.280 nan 0.000 0.509 343 A N 0.220 123.008 122.820 -0.054 0.000 1.869 343 A HA -0.257 4.062 4.320 -0.001 0.000 0.218 343 A C 2.290 179.727 177.584 -0.245 0.000 1.203 343 A CA 2.964 54.902 52.037 -0.166 0.000 0.638 343 A CB -1.511 17.465 19.000 -0.039 0.000 0.831 343 A HN 0.388 nan 8.150 nan 0.000 0.450 344 V N 0.093 119.829 119.914 -0.297 0.000 2.407 344 V HA -0.245 3.875 4.120 -0.001 0.000 0.248 344 V C 2.622 178.668 176.094 -0.080 0.000 1.055 344 V CA 2.159 64.334 62.300 -0.208 0.000 1.049 344 V CB -0.946 30.649 31.823 -0.379 0.000 0.662 344 V HN 0.639 nan 8.190 nan 0.000 0.455 345 R N 0.263 120.717 120.500 -0.075 0.000 2.096 345 R HA -0.201 4.139 4.340 -0.001 0.000 0.240 345 R C 2.338 178.583 176.300 -0.093 0.000 1.139 345 R CA 2.349 58.434 56.100 -0.025 0.000 0.952 345 R CB -0.548 29.745 30.300 -0.011 0.000 0.854 345 R HN 0.568 nan 8.270 nan 0.000 0.436 346 T N 0.738 115.151 114.554 -0.235 0.000 2.777 346 T HA -0.072 4.278 4.350 -0.001 0.000 0.266 346 T C 1.870 176.508 174.700 -0.102 0.000 1.040 346 T CA 1.247 63.213 62.100 -0.222 0.000 1.141 346 T CB -0.344 68.292 68.868 -0.386 0.000 0.868 346 T HN 0.455 nan 8.240 nan 0.000 0.444 347 A N 1.427 124.196 122.820 -0.086 0.000 1.859 347 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 347 A C 2.608 180.194 177.584 0.004 0.000 1.198 347 A CA 1.876 53.900 52.037 -0.021 0.000 0.629 347 A CB -1.307 17.687 19.000 -0.010 0.000 0.830 347 A HN 0.316 nan 8.150 nan 0.000 0.446 348 V N 0.008 119.933 119.914 0.018 0.000 2.231 348 V HA -0.343 3.777 4.120 -0.001 0.000 0.248 348 V C 2.455 178.561 176.094 0.021 0.000 1.054 348 V CA 2.389 64.711 62.300 0.038 0.000 1.015 348 V CB -0.819 31.053 31.823 0.083 0.000 0.638 348 V HN 0.575 nan 8.190 nan 0.000 0.444 349 I N 0.281 120.858 120.570 0.011 0.000 2.118 349 I HA -0.289 3.880 4.170 -0.001 0.000 0.241 349 I C 2.324 178.445 176.117 0.006 0.000 1.070 349 I CA 2.045 63.347 61.300 0.003 0.000 1.327 349 I CB -0.509 37.486 38.000 -0.009 0.000 1.034 349 I HN 0.348 nan 8.210 nan 0.000 0.405 350 N N 0.569 119.276 118.700 0.011 0.000 2.223 350 N HA -0.128 4.611 4.740 -0.001 0.000 0.185 350 N C 1.747 177.274 175.510 0.029 0.000 1.016 350 N CA 1.456 54.527 53.050 0.035 0.000 0.863 350 N CB -0.364 38.164 38.487 0.069 0.000 0.983 350 N HN 0.412 nan 8.380 nan 0.000 0.429 351 A N 0.528 123.359 122.820 0.019 0.000 1.872 351 A HA 0.127 4.446 4.320 -0.001 0.000 0.214 351 A C 2.238 179.825 177.584 0.004 0.000 1.187 351 A CA 1.688 53.733 52.037 0.012 0.000 0.614 351 A CB -0.963 18.043 19.000 0.009 0.000 0.826 351 A HN 0.282 nan 8.150 nan 0.000 0.442 352 A N 0.092 122.913 122.820 0.001 0.000 2.015 352 A HA -0.014 4.306 4.320 -0.001 0.000 0.219 352 A C 2.297 179.876 177.584 -0.009 0.000 1.163 352 A CA 2.047 54.079 52.037 -0.008 0.000 0.646 352 A CB -0.657 18.336 19.000 -0.012 0.000 0.806 352 A HN 0.995 nan 8.150 nan 0.000 0.448 353 S N -2.286 113.413 115.700 -0.002 0.000 2.575 353 S HA 0.387 4.857 4.470 -0.001 0.000 0.215 353 S C 1.388 175.990 174.600 0.002 0.000 0.966 353 S CA 1.034 59.233 58.200 -0.001 0.000 0.911 353 S CB -0.187 63.016 63.200 0.004 0.000 0.780 353 S HN 1.854 nan 8.310 nan 0.000 0.514 354 G N 1.866 110.668 108.800 0.004 0.000 2.148 354 G HA2 -0.371 3.589 3.960 -0.001 0.000 0.254 354 G HA3 -0.371 3.589 3.960 -0.001 0.000 0.254 354 G C 0.775 175.682 174.900 0.011 0.000 0.981 354 G CA 0.509 45.611 45.100 0.003 0.000 0.670 354 G HN 0.588 nan 8.290 nan 0.000 0.528 355 R N -0.306 120.211 120.500 0.029 0.000 2.092 355 R HA 0.087 4.427 4.340 -0.001 0.000 0.231 355 R C 1.164 177.490 176.300 0.043 0.000 1.119 355 R CA 1.743 57.877 56.100 0.056 0.000 0.970 355 R CB -0.007 30.353 30.300 0.099 0.000 0.864 355 R HN 0.577 nan 8.270 nan 0.000 0.440 356 Q N -0.329 119.493 119.800 0.037 0.000 2.423 356 Q HA 0.204 4.544 4.340 -0.001 0.000 0.278 356 Q C -1.043 174.957 176.000 0.001 0.000 1.097 356 Q CA -0.688 55.120 55.803 0.009 0.000 0.809 356 Q CB 2.295 31.056 28.738 0.039 0.000 1.391 356 Q HN 0.211 nan 8.270 nan 0.000 0.428 357 T N -2.258 112.288 114.554 -0.013 0.000 2.918 357 T HA 0.125 4.474 4.350 -0.001 0.000 0.302 357 T C 1.375 176.074 174.700 -0.001 0.000 1.045 357 T CA -0.610 61.485 62.100 -0.009 0.000 1.114 357 T CB 0.701 69.560 68.868 -0.016 0.000 0.965 357 T HN 0.345 nan 8.240 nan 0.000 0.540 358 V N 2.084 121.999 119.914 0.002 0.000 2.317 358 V HA -0.220 3.900 4.120 -0.001 0.000 0.251 358 V C 2.495 178.593 176.094 0.007 0.000 1.065 358 V CA 2.286 64.589 62.300 0.005 0.000 1.049 358 V CB -0.752 31.073 31.823 0.003 0.000 0.651 358 V HN 0.912 nan 8.190 nan 0.000 0.450 359 D N 0.349 120.751 120.400 0.004 0.000 2.078 359 D HA -0.154 4.485 4.640 -0.001 0.000 0.193 359 D C 2.263 178.569 176.300 0.009 0.000 0.990 359 D CA 1.838 55.840 54.000 0.005 0.000 0.827 359 D CB -0.348 40.451 40.800 -0.001 0.000 0.975 359 D HN 0.475 nan 8.370 nan 0.000 0.451 360 A N 1.338 124.158 122.820 0.000 0.000 1.902 360 A HA -0.055 4.265 4.320 -0.001 0.000 0.217 360 A C 2.345 179.944 177.584 0.026 0.000 1.181 360 A CA 2.332 54.369 52.037 -0.001 0.000 0.623 360 A CB -0.732 18.250 19.000 -0.030 0.000 0.818 360 A HN 0.248 nan 8.150 nan 0.000 0.443 361 A N -0.141 122.695 122.820 0.027 0.000 1.851 361 A HA -0.115 4.205 4.320 -0.001 0.000 0.216 361 A C 2.150 179.761 177.584 0.045 0.000 1.195 361 A CA 1.713 53.775 52.037 0.043 0.000 0.622 361 A CB -0.737 18.282 19.000 0.031 0.000 0.831 361 A HN 0.475 nan 8.150 nan 0.000 0.444 362 L N -0.876 120.369 121.223 0.036 0.000 2.217 362 L HA -0.083 4.256 4.340 -0.001 0.000 0.211 362 L C 2.997 179.905 176.870 0.063 0.000 1.107 362 L CA 0.655 55.519 54.840 0.040 0.000 0.783 362 L CB -0.457 41.615 42.059 0.023 0.000 0.919 362 L HN 0.450 nan 8.230 nan 0.000 0.442 363 A N 0.383 123.243 122.820 0.066 0.000 1.883 363 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 363 A C 2.562 180.236 177.584 0.150 0.000 1.186 363 A CA 1.887 53.984 52.037 0.100 0.000 0.624 363 A CB -0.748 18.294 19.000 0.071 0.000 0.822 363 A HN 0.379 nan 8.150 nan 0.000 0.444 364 A N -0.190 122.706 122.820 0.127 0.000 1.902 364 A HA 0.164 4.484 4.320 -0.001 0.000 0.217 364 A C 2.497 180.160 177.584 0.131 0.000 1.181 364 A CA 2.079 54.207 52.037 0.153 0.000 0.623 364 A CB -1.099 17.986 19.000 0.142 0.000 0.818 364 A HN 1.194 nan 8.150 nan 0.000 0.443 365 A N -0.564 122.308 122.820 0.088 0.000 2.032 365 A HA -0.244 4.076 4.320 -0.001 0.000 0.221 365 A C 2.101 179.733 177.584 0.080 0.000 1.165 365 A CA 2.277 54.345 52.037 0.052 0.000 0.645 365 A CB -0.486 18.529 19.000 0.024 0.000 0.807 365 A HN 0.680 nan 8.150 nan 0.000 0.453 366 Q N -0.609 119.265 119.800 0.124 0.000 1.994 366 Q HA -0.101 4.238 4.340 -0.001 0.000 0.198 366 Q C 2.001 178.065 176.000 0.107 0.000 0.976 366 Q CA 2.651 58.548 55.803 0.156 0.000 0.828 366 Q CB -0.970 27.922 28.738 0.257 0.000 0.894 366 Q HN 0.443 nan 8.270 nan 0.000 0.432 367 T N 1.356 115.979 114.554 0.114 0.000 2.684 367 T HA -0.147 4.203 4.350 -0.001 0.000 0.267 367 T C 1.634 176.329 174.700 -0.010 0.000 1.036 367 T CA 1.276 63.346 62.100 -0.050 0.000 1.148 367 T CB -0.516 68.390 68.868 0.064 0.000 0.863 367 T HN 0.357 nan 8.240 nan 0.000 0.436 368 N N 1.093 119.840 118.700 0.079 0.000 2.061 368 N HA -0.127 4.612 4.740 -0.001 0.000 0.193 368 N C 2.023 177.607 175.510 0.124 0.000 1.030 368 N CA 1.777 54.898 53.050 0.117 0.000 0.856 368 N CB -0.383 38.197 38.487 0.155 0.000 1.023 368 N HN 0.433 nan 8.380 nan 0.000 0.424 369 A N 0.325 123.222 122.820 0.128 0.000 1.897 369 A HA 0.129 4.448 4.320 -0.001 0.000 0.215 369 A C 2.302 180.001 177.584 0.191 0.000 1.181 369 A CA 1.838 53.988 52.037 0.189 0.000 0.620 369 A CB -0.739 18.380 19.000 0.198 0.000 0.821 369 A HN 0.388 nan 8.150 nan 0.000 0.443 370 A N -1.343 121.543 122.820 0.111 0.000 1.970 370 A HA 0.451 4.771 4.320 -0.001 0.000 0.216 370 A C 1.856 179.419 177.584 -0.035 0.000 1.170 370 A CA 1.732 53.805 52.037 0.060 0.000 0.645 370 A CB -0.285 18.689 19.000 -0.043 0.000 0.816 370 A HN 1.246 nan 8.150 nan 0.000 0.447 371 A N -1.641 121.135 122.820 -0.073 0.000 2.671 371 A HA 0.555 4.875 4.320 -0.001 0.000 0.265 371 A C -0.169 177.389 177.584 -0.043 0.000 1.148 371 A CA 0.118 52.096 52.037 -0.098 0.000 0.977 371 A CB 0.643 19.510 19.000 -0.221 0.000 1.242 371 A HN 0.300 nan 8.150 nan 0.000 0.591 372 V N 0.397 120.308 119.914 -0.004 0.000 2.709 372 V HA 0.476 4.596 4.120 -0.001 0.000 0.308 372 V C -0.659 175.439 176.094 0.007 0.000 1.062 372 V CA -0.627 61.681 62.300 0.012 0.000 0.901 372 V CB 2.037 33.880 31.823 0.034 0.000 1.003 372 V HN 0.323 nan 8.190 nan 0.000 0.425 373 K N 2.785 123.177 120.400 -0.014 0.000 2.507 373 K HA 0.707 5.027 4.320 -0.001 0.000 0.252 373 K C -1.455 175.098 176.600 -0.078 0.000 0.943 373 K CA -0.505 55.749 56.287 -0.055 0.000 0.808 373 K CB 2.339 34.817 32.500 -0.036 0.000 1.142 373 K HN 0.484 nan 8.250 nan 0.000 0.426 374 V N 2.592 122.407 119.914 -0.166 0.000 2.427 374 V HA 0.366 4.486 4.120 -0.001 0.000 0.286 374 V C -0.308 175.689 176.094 -0.162 0.000 1.034 374 V CA -0.624 61.577 62.300 -0.165 0.000 0.893 374 V CB 1.444 33.118 31.823 -0.249 0.000 0.982 374 V HN 0.758 nan 8.190 nan 0.000 0.452 375 E N 3.061 123.203 120.200 -0.097 0.000 2.265 375 E HA 0.435 4.784 4.350 -0.001 0.000 0.262 375 E C -1.635 174.929 176.600 -0.061 0.000 0.889 375 E CA -0.514 55.835 56.400 -0.085 0.000 0.789 375 E CB 1.561 31.227 29.700 -0.056 0.000 1.221 375 E HN 0.771 nan 8.360 nan 0.000 0.414 376 c N 6.340 124.890 118.600 -0.083 0.000 2.239 376 c HA 0.459 5.029 4.570 -0.001 0.000 0.325 376 c C 0.631 174.721 174.090 0.001 0.000 1.231 376 c CA -0.738 55.557 56.329 -0.056 0.000 1.652 376 c CB -1.149 41.248 42.510 -0.189 0.000 2.284 376 c HN 0.646 nan 8.230 nan 0.000 0.499 377 L N 1.494 122.750 121.223 0.054 0.000 2.770 377 L HA 0.388 4.727 4.340 -0.001 0.000 0.229 377 L C 1.792 178.751 176.870 0.148 0.000 1.173 377 L CA -0.435 54.448 54.840 0.072 0.000 0.871 377 L CB 0.184 42.262 42.059 0.032 0.000 1.682 377 L HN 0.537 nan 8.230 nan 0.000 0.523 378 E N 0.738 120.988 120.200 0.083 0.000 1.998 378 E HA -0.120 4.230 4.350 -0.001 0.000 0.196 378 E C 1.017 177.577 176.600 -0.067 0.000 1.003 378 E CA 1.847 58.274 56.400 0.044 0.000 0.829 378 E CB -0.081 29.625 29.700 0.011 0.000 0.777 378 E HN 0.605 nan 8.360 nan 0.000 0.460 379 A N 0.075 122.860 122.820 -0.058 0.000 2.637 379 A HA 0.330 4.650 4.320 -0.001 0.000 0.293 379 A C -0.545 177.010 177.584 -0.049 0.000 1.216 379 A CA 0.060 52.042 52.037 -0.092 0.000 0.956 379 A CB -0.241 18.717 19.000 -0.071 0.000 1.174 379 A HN 0.319 nan 8.150 nan 0.000 0.525 380 E N -0.243 119.946 120.200 -0.019 0.000 2.372 380 E HA 0.651 5.000 4.350 -0.001 0.000 0.279 380 E C -0.984 175.629 176.600 0.023 0.000 0.946 380 E CA -0.978 55.424 56.400 0.002 0.000 0.769 380 E CB 1.212 30.918 29.700 0.009 0.000 1.230 380 E HN 0.347 nan 8.360 nan 0.000 0.442 381 L N -0.161 121.078 121.223 0.027 0.000 2.333 381 L HA 0.926 5.265 4.340 -0.001 0.000 0.263 381 L C -1.352 175.540 176.870 0.038 0.000 1.014 381 L CA -1.281 53.577 54.840 0.030 0.000 0.820 381 L CB 2.069 44.143 42.059 0.026 0.000 1.352 381 L HN 0.472 nan 8.230 nan 0.000 0.421 382 V N 2.485 122.416 119.914 0.028 0.000 2.487 382 V HA 0.513 4.632 4.120 -0.001 0.000 0.298 382 V C -0.368 175.753 176.094 0.045 0.000 1.028 382 V CA -0.453 61.875 62.300 0.046 0.000 0.860 382 V CB 2.073 33.911 31.823 0.026 0.000 0.991 382 V HN 0.597 nan 8.190 nan 0.000 0.427 383 V N 3.862 123.837 119.914 0.103 0.000 2.407 383 V HA 0.445 4.564 4.120 -0.001 0.000 0.291 383 V C 0.086 176.276 176.094 0.161 0.000 1.018 383 V CA -0.289 62.066 62.300 0.092 0.000 0.842 383 V CB 2.154 34.004 31.823 0.045 0.000 0.996 383 V HN 0.906 nan 8.190 nan 0.000 0.426 384 T N 4.833 119.441 114.554 0.090 0.000 2.874 384 T HA 0.377 4.727 4.350 -0.001 0.000 0.321 384 T C -0.197 174.550 174.700 0.077 0.000 1.075 384 T CA -0.225 61.927 62.100 0.087 0.000 0.966 384 T CB 0.937 69.827 68.868 0.036 0.000 1.001 384 T HN 0.322 nan 8.240 nan 0.000 0.476 385 V N 3.796 123.784 119.914 0.123 0.000 2.385 385 V HA 0.300 4.420 4.120 -0.001 0.000 0.269 385 V C 0.871 176.990 176.094 0.043 0.000 1.043 385 V CA -0.749 61.600 62.300 0.082 0.000 0.906 385 V CB 1.236 33.141 31.823 0.137 0.000 0.995 385 V HN 0.913 nan 8.190 nan 0.000 0.467 386 S N 5.747 121.448 115.700 0.002 0.000 2.515 386 S HA 0.091 4.560 4.470 -0.001 0.000 0.285 386 S C 1.455 176.047 174.600 -0.014 0.000 1.265 386 S CA -0.176 58.017 58.200 -0.011 0.000 1.079 386 S CB 0.193 63.375 63.200 -0.031 0.000 0.877 386 S HN 0.710 nan 8.310 nan 0.000 0.493 387 R N 2.396 122.898 120.500 0.004 0.000 2.127 387 R HA -0.083 4.257 4.340 -0.001 0.000 0.238 387 R C 0.109 176.417 176.300 0.013 0.000 1.134 387 R CA 1.226 57.335 56.100 0.014 0.000 0.975 387 R CB -0.247 30.064 30.300 0.018 0.000 0.865 387 R HN 0.659 nan 8.270 nan 0.000 0.447 388 D N 0.735 121.138 120.400 0.005 0.000 2.428 388 D HA 0.042 4.681 4.640 -0.001 0.000 0.221 388 D C 1.193 177.475 176.300 -0.030 0.000 1.123 388 D CA -0.169 53.842 54.000 0.017 0.000 0.869 388 D CB 0.772 41.589 40.800 0.028 0.000 1.032 388 D HN -0.176 nan 8.370 nan 0.000 0.506 389 L N 2.880 124.082 121.223 -0.034 0.000 1.970 389 L HA -0.118 4.222 4.340 -0.001 0.000 0.212 389 L C 1.038 177.596 176.870 -0.521 0.000 1.071 389 L CA 1.472 56.130 54.840 -0.303 0.000 0.751 389 L CB -0.791 41.181 42.059 -0.145 0.000 0.889 389 L HN 0.464 nan 8.230 nan 0.000 0.432 390 F N -1.143 118.826 119.950 0.032 0.000 2.835 390 F HA 0.469 4.996 4.527 -0.000 0.000 0.342 390 F C 1.338 177.175 175.800 0.061 0.000 1.202 390 F CA 0.140 58.175 58.000 0.058 0.000 1.240 390 F CB -0.052 38.988 39.000 0.066 0.000 1.005 390 F HN 0.213 nan 8.300 nan 0.000 0.507 391 G N -0.204 108.695 108.800 0.165 0.000 2.179 391 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.260 391 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.260 391 G C 1.188 176.155 174.900 0.112 0.000 0.977 391 G CA 0.830 46.002 45.100 0.121 0.000 0.641 391 G HN 0.324 nan 8.290 nan 0.000 0.533 392 T N 0.223 114.858 114.554 0.136 0.000 2.929 392 T HA 0.259 4.608 4.350 -0.001 0.000 0.271 392 T C 2.540 177.285 174.700 0.075 0.000 1.085 392 T CA 2.194 64.356 62.100 0.104 0.000 1.125 392 T CB -0.419 68.516 68.868 0.111 0.000 0.874 392 T HN 2.115 nan 8.240 nan 0.000 0.494 393 G N 1.306 110.149 108.800 0.071 0.000 2.179 393 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.260 393 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.260 393 G C 0.233 175.165 174.900 0.053 0.000 0.977 393 G CA 0.366 45.498 45.100 0.053 0.000 0.641 393 G HN 0.665 nan 8.290 nan 0.000 0.533 394 K N 1.583 122.023 120.400 0.066 0.000 2.263 394 K HA 0.656 4.976 4.320 -0.001 0.000 0.282 394 K C 0.511 177.155 176.600 0.072 0.000 1.089 394 K CA -0.767 55.559 56.287 0.066 0.000 0.907 394 K CB -0.039 32.504 32.500 0.072 0.000 1.148 394 K HN 0.275 nan 8.250 nan 0.000 0.470 395 L N 4.042 125.299 121.223 0.057 0.000 2.421 395 L HA 0.476 4.816 4.340 -0.001 0.000 0.263 395 L C 0.191 177.097 176.870 0.060 0.000 1.122 395 L CA -1.407 53.465 54.840 0.053 0.000 0.804 395 L CB 1.325 43.408 42.059 0.039 0.000 1.150 395 L HN 0.479 nan 8.230 nan 0.000 0.457 396 V N -0.542 119.410 119.914 0.063 0.000 2.713 396 V HA 0.474 4.594 4.120 -0.001 0.000 0.307 396 V C -0.318 175.815 176.094 0.065 0.000 1.052 396 V CA -0.976 61.369 62.300 0.075 0.000 0.967 396 V CB 1.426 33.304 31.823 0.092 0.000 1.019 396 V HN 0.728 nan 8.190 nan 0.000 0.459 397 Q N 3.767 123.607 119.800 0.067 0.000 2.317 397 Q HA 0.375 4.714 4.340 -0.001 0.000 0.229 397 Q C -1.632 174.410 176.000 0.070 0.000 0.984 397 Q CA -1.375 54.461 55.803 0.056 0.000 0.911 397 Q CB 0.461 29.229 28.738 0.050 0.000 1.217 397 Q HN 0.612 nan 8.270 nan 0.000 0.501 398 P HA -0.123 nan 4.420 nan 0.000 0.222 398 P C 0.607 177.970 177.300 0.106 0.000 1.147 398 P CA 1.336 64.470 63.100 0.057 0.000 0.790 398 P CB 0.160 31.850 31.700 -0.017 0.000 0.780 399 G N 0.014 108.865 108.800 0.084 0.000 2.650 399 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.214 399 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.214 399 G C 1.034 175.998 174.900 0.107 0.000 1.136 399 G CA 0.246 45.400 45.100 0.090 0.000 0.789 399 G HN 0.164 nan 8.290 nan 0.000 0.536 400 D N 0.124 120.596 120.400 0.120 0.000 2.289 400 D HA 0.068 4.708 4.640 -0.001 0.000 0.207 400 D C 1.036 177.434 176.300 0.164 0.000 0.966 400 D CA 0.266 54.345 54.000 0.132 0.000 0.868 400 D CB 0.354 41.236 40.800 0.137 0.000 0.943 400 D HN 0.246 nan 8.370 nan 0.000 0.514 401 L N 0.345 121.690 121.223 0.202 0.000 2.309 401 L HA 0.397 4.737 4.340 -0.001 0.000 0.282 401 L C 0.024 177.016 176.870 0.204 0.000 1.036 401 L CA -0.124 54.848 54.840 0.220 0.000 0.806 401 L CB 1.928 44.188 42.059 0.336 0.000 1.220 401 L HN -0.318 nan 8.230 nan 0.000 0.429 402 T N 3.458 118.055 114.554 0.072 0.000 2.921 402 T HA 0.558 4.908 4.350 -0.001 0.000 0.297 402 T C -1.086 173.572 174.700 -0.071 0.000 1.013 402 T CA -0.410 61.721 62.100 0.051 0.000 0.990 402 T CB 2.059 70.966 68.868 0.066 0.000 1.023 402 T HN 0.218 nan 8.240 nan 0.000 0.447 403 L N 2.637 123.808 121.223 -0.087 0.000 2.333 403 L HA 0.844 5.183 4.340 -0.001 0.000 0.269 403 L C 0.655 177.523 176.870 -0.003 0.000 1.010 403 L CA 0.794 55.553 54.840 -0.135 0.000 0.818 403 L CB 1.160 43.040 42.059 -0.299 0.000 1.306 403 L HN 0.971 nan 8.230 nan 0.000 0.430 404 G N 2.110 110.920 108.800 0.017 0.000 2.791 404 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.256 404 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.256 404 G C -0.040 174.899 174.900 0.065 0.000 1.380 404 G CA -0.042 45.088 45.100 0.050 0.000 0.904 404 G HN 1.346 nan 8.290 nan 0.000 0.563 405 S N -1.190 114.548 115.700 0.063 0.000 2.641 405 S HA 0.235 4.705 4.470 -0.001 0.000 0.251 405 S C 1.467 176.096 174.600 0.049 0.000 1.332 405 S CA 1.062 59.296 58.200 0.057 0.000 0.968 405 S CB 0.933 64.162 63.200 0.049 0.000 0.987 405 S HN 1.171 nan 8.310 nan 0.000 0.587 406 E N 0.519 120.745 120.200 0.042 0.000 2.051 406 E HA -0.078 4.272 4.350 -0.001 0.000 0.192 406 E C 1.959 178.583 176.600 0.041 0.000 0.991 406 E CA 1.165 57.588 56.400 0.039 0.000 0.799 406 E CB -1.071 28.648 29.700 0.031 0.000 0.748 406 E HN 0.870 nan 8.360 nan 0.000 0.449 407 G N 0.358 109.181 108.800 0.039 0.000 2.776 407 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.209 407 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.209 407 G C 0.365 175.292 174.900 0.045 0.000 1.145 407 G CA 0.252 45.375 45.100 0.039 0.000 0.791 407 G HN 0.370 nan 8.290 nan 0.000 0.530 408 c N 1.474 120.105 118.600 0.051 0.000 2.520 408 c HA 0.529 5.098 4.570 -0.001 0.000 0.369 408 c C 0.237 174.371 174.090 0.072 0.000 1.244 408 c CA -0.749 55.617 56.329 0.060 0.000 1.677 408 c CB -1.085 41.462 42.510 0.061 0.000 2.324 408 c HN 0.467 nan 8.230 nan 0.000 0.557 409 Q N 6.974 126.816 119.800 0.069 0.000 2.571 409 Q HA 0.382 4.721 4.340 -0.001 0.000 0.243 409 Q C -2.080 173.968 176.000 0.080 0.000 1.055 409 Q CA -1.057 54.790 55.803 0.073 0.000 0.815 409 Q CB 1.409 30.178 28.738 0.052 0.000 1.151 409 Q HN 0.699 nan 8.270 nan 0.000 0.519 410 P HA 0.207 nan 4.420 nan 0.000 0.284 410 P C -0.844 176.498 177.300 0.069 0.000 1.258 410 P CA -0.728 62.449 63.100 0.129 0.000 0.824 410 P CB 1.153 33.015 31.700 0.270 0.000 1.038 411 R N 1.381 121.899 120.500 0.029 0.000 2.389 411 R HA 0.313 4.652 4.340 -0.001 0.000 0.295 411 R C -1.069 175.166 176.300 -0.109 0.000 1.075 411 R CA -0.326 55.758 56.100 -0.027 0.000 1.005 411 R CB 0.332 30.620 30.300 -0.020 0.000 0.987 411 R HN 0.277 nan 8.270 nan 0.000 0.452 412 V N 4.355 124.165 119.914 -0.173 0.000 2.293 412 V HA 0.164 4.283 4.120 -0.001 0.000 0.275 412 V C -0.283 175.677 176.094 -0.224 0.000 1.021 412 V CA -0.600 61.497 62.300 -0.339 0.000 0.815 412 V CB 1.302 32.888 31.823 -0.394 0.000 1.025 412 V HN 0.780 nan 8.190 nan 0.000 0.448 413 S N 3.866 119.447 115.700 -0.197 0.000 2.545 413 S HA 0.552 5.022 4.470 -0.001 0.000 0.275 413 S C -0.079 174.441 174.600 -0.133 0.000 1.299 413 S CA -0.508 57.617 58.200 -0.125 0.000 1.048 413 S CB 1.642 64.792 63.200 -0.084 0.000 0.938 413 S HN 0.447 nan 8.310 nan 0.000 0.496 414 V N 3.886 123.746 119.914 -0.090 0.000 2.385 414 V HA 0.255 4.375 4.120 -0.001 0.000 0.277 414 V C -0.483 175.587 176.094 -0.041 0.000 1.012 414 V CA -0.819 61.439 62.300 -0.070 0.000 0.832 414 V CB 1.163 32.947 31.823 -0.065 0.000 1.028 414 V HN 0.761 nan 8.190 nan 0.000 0.436 415 D N 2.056 122.437 120.400 -0.031 0.000 2.425 415 D HA 0.249 4.889 4.640 -0.001 0.000 0.274 415 D C 1.539 177.833 176.300 -0.011 0.000 1.242 415 D CA 0.309 54.298 54.000 -0.019 0.000 1.060 415 D CB 0.830 41.621 40.800 -0.015 0.000 1.112 415 D HN 0.569 nan 8.370 nan 0.000 0.561 416 T N -3.228 111.323 114.554 -0.005 0.000 3.044 416 T HA -0.010 4.339 4.350 -0.001 0.000 0.250 416 T C 0.707 175.409 174.700 0.004 0.000 1.081 416 T CA 0.219 62.319 62.100 0.001 0.000 1.040 416 T CB 0.025 68.894 68.868 0.001 0.000 0.962 416 T HN 0.318 nan 8.240 nan 0.000 0.506 417 D N 1.664 122.065 120.400 0.002 0.000 2.422 417 D HA 0.143 4.782 4.640 -0.001 0.000 0.218 417 D C 0.904 177.206 176.300 0.005 0.000 1.047 417 D CA 0.309 54.311 54.000 0.004 0.000 0.885 417 D CB -0.037 40.764 40.800 0.002 0.000 1.035 417 D HN 0.536 nan 8.370 nan 0.000 0.502 418 V N -2.812 117.104 119.914 0.004 0.000 3.167 418 V HA 0.772 4.891 4.120 -0.001 0.000 0.310 418 V C -0.959 175.138 176.094 0.006 0.000 1.207 418 V CA -1.087 61.219 62.300 0.010 0.000 1.059 418 V CB 2.435 34.264 31.823 0.010 0.000 1.079 418 V HN -0.163 nan 8.190 nan 0.000 0.446 419 V N 1.490 121.418 119.914 0.023 0.000 2.531 419 V HA 0.642 4.762 4.120 -0.001 0.000 0.301 419 V C -0.269 175.823 176.094 -0.003 0.000 1.034 419 V CA -0.522 61.768 62.300 -0.016 0.000 0.865 419 V CB 1.778 33.610 31.823 0.015 0.000 0.995 419 V HN 1.005 nan 8.190 nan 0.000 0.424 420 R N 3.474 123.903 120.500 -0.118 0.000 2.387 420 R HA 0.627 4.967 4.340 -0.001 0.000 0.314 420 R C -1.730 174.458 176.300 -0.187 0.000 0.958 420 R CA -0.440 55.629 56.100 -0.051 0.000 0.846 420 R CB 1.175 31.451 30.300 -0.040 0.000 1.147 420 R HN 0.537 nan 8.270 nan 0.000 0.447 421 F N 3.105 123.059 119.950 0.007 0.000 2.426 421 F HA 0.403 4.930 4.527 -0.001 0.000 0.348 421 F C -0.008 175.796 175.800 0.006 0.000 1.124 421 F CA -0.725 57.282 58.000 0.011 0.000 1.008 421 F CB 1.597 40.608 39.000 0.019 0.000 1.139 421 F HN 0.334 nan 8.300 nan 0.000 0.452 422 N N 3.541 122.317 118.700 0.127 0.000 2.479 422 N HA 0.651 5.390 4.740 -0.001 0.000 0.261 422 N C -1.084 174.482 175.510 0.093 0.000 0.979 422 N CA -0.353 52.747 53.050 0.083 0.000 0.930 422 N CB 2.041 40.547 38.487 0.031 0.000 1.172 422 N HN 0.597 nan 8.380 nan 0.000 0.499 423 A N 1.853 124.728 122.820 0.091 0.000 2.414 423 A HA 0.376 4.696 4.320 -0.001 0.000 0.306 423 A C -0.406 177.208 177.584 0.050 0.000 1.054 423 A CA -0.717 51.370 52.037 0.084 0.000 0.724 423 A CB 1.429 20.491 19.000 0.105 0.000 1.267 423 A HN 0.523 nan 8.150 nan 0.000 0.418 424 Q N 1.900 121.727 119.800 0.045 0.000 2.325 424 Q HA 0.103 4.443 4.340 -0.001 0.000 0.256 424 Q C 0.946 176.964 176.000 0.029 0.000 1.142 424 Q CA -0.420 55.402 55.803 0.032 0.000 0.902 424 Q CB 0.679 29.439 28.738 0.036 0.000 1.350 424 Q HN 0.760 nan 8.270 nan 0.000 0.449 425 L N 3.664 124.886 121.223 -0.002 0.000 1.980 425 L HA -0.371 3.969 4.340 -0.001 0.000 0.232 425 L C 1.983 178.859 176.870 0.010 0.000 1.092 425 L CA 2.200 57.012 54.840 -0.047 0.000 0.808 425 L CB -0.701 41.245 42.059 -0.188 0.000 0.908 425 L HN 0.800 nan 8.230 nan 0.000 0.442 426 H N -1.186 117.837 119.070 -0.078 0.000 2.390 426 H HA -0.187 4.369 4.556 -0.001 0.000 0.298 426 H C 2.051 177.389 175.328 0.017 0.000 1.106 426 H CA 1.945 57.989 56.048 -0.008 0.000 1.297 426 H CB 0.288 30.024 29.762 -0.042 0.000 1.375 426 H HN 0.504 nan 8.280 nan 0.000 0.509 427 E N -0.892 119.375 120.200 0.112 0.000 2.208 427 E HA -0.072 4.278 4.350 -0.001 0.000 0.193 427 E C 2.117 178.748 176.600 0.051 0.000 0.988 427 E CA 0.561 57.004 56.400 0.072 0.000 0.828 427 E CB 0.179 29.916 29.700 0.062 0.000 0.763 427 E HN 0.329 nan 8.360 nan 0.000 0.478 428 c N -0.307 118.321 118.600 0.047 0.000 2.700 428 c HA 0.266 4.836 4.570 -0.001 0.000 0.297 428 c C 1.034 175.148 174.090 0.039 0.000 1.293 428 c CA -0.409 55.946 56.329 0.043 0.000 1.756 428 c CB -0.119 42.418 42.510 0.045 0.000 2.210 428 c HN 0.130 nan 8.230 nan 0.000 0.553 429 S N 1.459 117.182 115.700 0.039 0.000 2.563 429 S HA 0.066 4.535 4.470 -0.001 0.000 0.284 429 S C 1.125 175.743 174.600 0.030 0.000 1.331 429 S CA 0.041 58.273 58.200 0.053 0.000 1.047 429 S CB 0.823 64.100 63.200 0.129 0.000 0.859 429 S HN 0.572 nan 8.310 nan 0.000 0.514 430 S N 1.535 117.254 115.700 0.031 0.000 2.497 430 S HA 0.238 4.707 4.470 -0.001 0.000 0.218 430 S C 0.634 175.246 174.600 0.020 0.000 1.023 430 S CA -0.070 58.157 58.200 0.045 0.000 0.913 430 S CB 0.214 63.478 63.200 0.107 0.000 0.800 430 S HN 0.677 nan 8.310 nan 0.000 0.505 431 R N 0.906 121.401 120.500 -0.009 0.000 2.579 431 R HA 0.409 4.749 4.340 -0.001 0.000 0.260 431 R C -1.924 174.313 176.300 -0.106 0.000 1.103 431 R CA -0.437 55.636 56.100 -0.046 0.000 0.942 431 R CB 1.440 31.729 30.300 -0.019 0.000 1.251 431 R HN 0.094 nan 8.270 nan 0.000 0.450 432 V N 1.071 120.872 119.914 -0.188 0.000 2.581 432 V HA 0.715 4.835 4.120 -0.001 0.000 0.303 432 V C -1.162 174.794 176.094 -0.231 0.000 1.041 432 V CA -0.604 61.486 62.300 -0.350 0.000 0.907 432 V CB 1.697 33.159 31.823 -0.601 0.000 0.994 432 V HN 0.830 nan 8.190 nan 0.000 0.442 433 Q N 5.106 124.779 119.800 -0.212 0.000 2.310 433 Q HA 0.631 4.971 4.340 -0.001 0.000 0.270 433 Q C -1.013 174.925 176.000 -0.103 0.000 1.025 433 Q CA -0.594 55.137 55.803 -0.120 0.000 0.772 433 Q CB 1.822 30.515 28.738 -0.074 0.000 1.253 433 Q HN 0.885 nan 8.270 nan 0.000 0.450 434 M N 2.634 122.185 119.600 -0.083 0.000 2.188 434 M HA 0.491 4.971 4.480 -0.001 0.000 0.357 434 M C 0.109 176.387 176.300 -0.036 0.000 1.204 434 M CA -0.448 54.815 55.300 -0.061 0.000 1.095 434 M CB 0.531 33.093 32.600 -0.062 0.000 1.604 434 M HN 0.778 nan 8.290 nan 0.000 0.464 435 T N -1.465 113.076 114.554 -0.021 0.000 2.888 435 T HA 0.437 4.787 4.350 -0.001 0.000 0.288 435 T C 0.913 175.609 174.700 -0.005 0.000 1.063 435 T CA -0.890 61.203 62.100 -0.011 0.000 1.010 435 T CB 2.322 71.189 68.868 -0.002 0.000 1.214 435 T HN 0.812 nan 8.240 nan 0.000 0.533 436 K N -0.094 120.304 120.400 -0.002 0.000 2.089 436 K HA -0.232 4.088 4.320 -0.001 0.000 0.210 436 K C 1.089 177.692 176.600 0.005 0.000 1.048 436 K CA 2.530 58.818 56.287 0.000 0.000 0.926 436 K CB -0.240 32.261 32.500 0.003 0.000 0.714 436 K HN 0.673 nan 8.250 nan 0.000 0.448 437 D N -1.416 118.990 120.400 0.010 0.000 2.473 437 D HA 0.232 4.872 4.640 -0.001 0.000 0.230 437 D C -0.625 175.693 176.300 0.030 0.000 1.097 437 D CA 0.269 54.279 54.000 0.017 0.000 0.861 437 D CB 0.881 41.688 40.800 0.011 0.000 1.114 437 D HN 0.307 nan 8.370 nan 0.000 0.500 438 A N 0.156 122.995 122.820 0.031 0.000 2.350 438 A HA 0.766 5.085 4.320 -0.001 0.000 0.318 438 A C -1.231 176.384 177.584 0.052 0.000 1.132 438 A CA -0.566 51.504 52.037 0.054 0.000 0.811 438 A CB 1.104 20.132 19.000 0.046 0.000 1.313 438 A HN 0.146 nan 8.150 nan 0.000 0.454 439 L N 1.320 122.605 121.223 0.103 0.000 2.372 439 L HA 0.482 4.822 4.340 -0.001 0.000 0.274 439 L C -1.205 175.742 176.870 0.128 0.000 0.988 439 L CA -0.771 54.106 54.840 0.063 0.000 0.833 439 L CB 1.895 44.010 42.059 0.094 0.000 1.236 439 L HN 0.403 nan 8.230 nan 0.000 0.410 440 V N 3.181 123.098 119.914 0.006 0.000 2.357 440 V HA 0.350 4.470 4.120 -0.001 0.000 0.284 440 V C -0.653 175.427 176.094 -0.024 0.000 1.018 440 V CA -0.595 61.747 62.300 0.069 0.000 0.841 440 V CB 1.084 32.926 31.823 0.031 0.000 0.991 440 V HN 0.384 nan 8.190 nan 0.000 0.437 441 Y N 2.216 122.575 120.300 0.098 0.000 2.308 441 Y HA 0.579 5.129 4.550 -0.001 0.000 0.329 441 Y C 0.852 176.752 175.900 -0.001 0.000 1.111 441 Y CA -0.073 58.055 58.100 0.047 0.000 1.179 441 Y CB 1.649 40.167 38.460 0.097 0.000 1.201 441 Y HN 0.586 nan 8.280 nan 0.000 0.483 442 S N 1.449 117.189 115.700 0.068 0.000 2.547 442 S HA 0.705 5.174 4.470 -0.001 0.000 0.281 442 S C -0.609 173.920 174.600 -0.119 0.000 1.118 442 S CA -0.782 57.379 58.200 -0.066 0.000 0.947 442 S CB 2.194 65.320 63.200 -0.123 0.000 1.053 442 S HN 0.635 nan 8.310 nan 0.000 0.482 443 T N 1.442 115.851 114.554 -0.242 0.000 2.762 443 T HA 0.734 5.084 4.350 -0.001 0.000 0.301 443 T C -2.034 172.412 174.700 -0.422 0.000 1.299 443 T CA -0.422 61.553 62.100 -0.208 0.000 1.005 443 T CB 0.593 69.433 68.868 -0.046 0.000 1.377 443 T HN 0.336 nan 8.240 nan 0.000 0.504 444 F N 1.732 121.686 119.950 0.006 0.000 2.520 444 F HA 0.698 5.225 4.527 -0.000 0.000 0.322 444 F C -0.452 175.330 175.800 -0.031 0.000 1.103 444 F CA -0.964 57.035 58.000 -0.002 0.000 0.926 444 F CB 1.783 40.782 39.000 -0.000 0.000 1.154 444 F HN 0.294 nan 8.300 nan 0.000 0.453 445 L N 5.213 126.526 121.223 0.149 0.000 2.272 445 L HA 0.590 4.930 4.340 -0.001 0.000 0.289 445 L C -1.321 175.613 176.870 0.107 0.000 1.032 445 L CA -0.381 54.479 54.840 0.034 0.000 0.810 445 L CB 0.516 42.539 42.059 -0.060 0.000 1.205 445 L HN 0.455 nan 8.230 nan 0.000 0.422 446 L N 5.695 126.961 121.223 0.073 0.000 2.309 446 L HA 0.594 4.933 4.340 -0.001 0.000 0.282 446 L C -0.615 176.329 176.870 0.125 0.000 1.036 446 L CA -0.818 54.063 54.840 0.068 0.000 0.806 446 L CB 1.279 43.353 42.059 0.026 0.000 1.220 446 L HN 0.831 nan 8.230 nan 0.000 0.429 447 H N -0.054 119.054 119.070 0.064 0.000 2.946 447 H HA 0.772 5.328 4.556 -0.001 0.000 0.365 447 H C -1.247 174.130 175.328 0.082 0.000 1.197 447 H CA -0.665 55.433 56.048 0.083 0.000 1.131 447 H CB 2.064 31.890 29.762 0.108 0.000 1.849 447 H HN 0.569 nan 8.280 nan 0.000 0.555 463 V N 2.775 122.529 119.914 -0.267 0.000 2.775 463 V HA 0.213 4.333 4.120 -0.001 0.000 0.299 463 V C -0.318 175.698 176.094 -0.131 0.000 1.062 463 V CA 0.310 62.471 62.300 -0.232 0.000 1.063 463 V CB 1.393 32.979 31.823 -0.395 0.000 0.994 463 V HN 0.173 nan 8.190 nan 0.000 0.483 464 E N 2.512 122.693 120.200 -0.031 0.000 2.325 464 E HA 0.438 4.787 4.350 -0.001 0.000 0.248 464 E C -0.985 175.759 176.600 0.240 0.000 0.912 464 E CA -0.627 55.804 56.400 0.051 0.000 0.782 464 E CB 1.897 31.493 29.700 -0.175 0.000 1.264 464 E HN 0.570 nan 8.360 nan 0.000 0.417 465 V N 0.876 120.957 119.914 0.278 0.000 2.461 465 V HA 0.461 4.581 4.120 -0.001 0.000 0.275 465 V C -2.306 173.938 176.094 0.251 0.000 1.047 465 V CA -2.515 59.938 62.300 0.256 0.000 0.955 465 V CB 0.401 32.341 31.823 0.194 0.000 0.988 465 V HN 0.447 nan 8.190 nan 0.000 0.471 466 P HA 0.385 nan 4.420 nan 0.000 0.282 466 P C -0.785 176.468 177.300 -0.078 0.000 1.274 466 P CA -0.163 62.820 63.100 -0.194 0.000 0.770 466 P CB 1.099 32.682 31.700 -0.194 0.000 0.867 467 I N 3.097 123.585 120.570 -0.137 0.000 2.353 467 I HA 0.436 4.606 4.170 -0.001 0.000 0.293 467 I C 0.609 176.716 176.117 -0.016 0.000 0.992 467 I CA -0.516 60.779 61.300 -0.009 0.000 1.268 467 I CB 0.664 38.641 38.000 -0.037 0.000 1.387 467 I HN 0.473 nan 8.210 nan 0.000 0.478 468 E N 4.730 124.991 120.200 0.102 0.000 2.307 468 E HA 0.467 4.816 4.350 -0.001 0.000 0.280 468 E C -1.987 174.683 176.600 0.116 0.000 0.900 468 E CA -0.339 56.127 56.400 0.111 0.000 0.790 468 E CB 1.618 31.400 29.700 0.136 0.000 1.261 468 E HN 0.657 nan 8.360 nan 0.000 0.405 469 c N 4.317 122.988 118.600 0.119 0.000 2.364 469 c HA 0.544 5.114 4.570 -0.001 0.000 0.324 469 c C -0.133 173.999 174.090 0.069 0.000 1.234 469 c CA -0.649 55.700 56.329 0.033 0.000 1.417 469 c CB 0.631 43.188 42.510 0.079 0.000 2.101 469 c HN 0.742 nan 8.230 nan 0.000 0.466 470 R N 1.773 122.196 120.500 -0.129 0.000 2.486 470 R HA 0.722 5.061 4.340 -0.001 0.000 0.286 470 R C -1.426 174.681 176.300 -0.322 0.000 0.999 470 R CA -0.208 55.859 56.100 -0.055 0.000 0.993 470 R CB 1.175 31.459 30.300 -0.028 0.000 1.084 470 R HN 0.684 nan 8.270 nan 0.000 0.487 471 Y N 0.675 121.048 120.300 0.121 0.000 2.625 471 Y HA 0.371 4.921 4.550 -0.001 0.000 0.338 471 Y C -2.236 173.710 175.900 0.076 0.000 1.123 471 Y CA -2.696 55.462 58.100 0.097 0.000 1.046 471 Y CB 1.441 39.985 38.460 0.140 0.000 1.299 471 Y HN 0.494 nan 8.280 nan 0.000 0.464 472 P HA 0.306 nan 4.420 nan 0.000 0.276 472 P C 0.234 177.614 177.300 0.133 0.000 1.244 472 P CA -0.618 62.560 63.100 0.129 0.000 0.801 472 P CB 1.022 32.770 31.700 0.080 0.000 1.006 473 R N 0.720 121.273 120.500 0.088 0.000 2.323 473 R HA 0.054 4.394 4.340 -0.001 0.000 0.198 473 R C 1.228 177.570 176.300 0.070 0.000 0.988 473 R CA 0.184 56.325 56.100 0.069 0.000 1.041 473 R CB -0.485 29.837 30.300 0.036 0.000 0.926 473 R HN 0.306 nan 8.270 nan 0.000 0.476 474 L N 0.726 121.997 121.223 0.079 0.000 2.599 474 L HA 0.035 4.375 4.340 -0.001 0.000 0.230 474 L C 1.466 178.375 176.870 0.065 0.000 1.141 474 L CA 1.260 56.158 54.840 0.098 0.000 0.877 474 L CB 0.008 42.108 42.059 0.069 0.000 1.009 474 L HN 0.087 nan 8.230 nan 0.000 0.447 475 E N -2.075 118.142 120.200 0.028 0.000 2.481 475 E HA -0.210 4.140 4.350 -0.001 0.000 0.195 475 E C 1.746 178.218 176.600 -0.213 0.000 1.047 475 E CA 0.176 56.552 56.400 -0.040 0.000 0.867 475 E CB 0.108 29.804 29.700 -0.008 0.000 0.858 475 E HN 0.686 nan 8.360 nan 0.000 0.513 476 H N -0.222 118.603 119.070 -0.408 0.000 2.387 476 H HA -0.063 4.493 4.556 -0.001 0.000 0.299 476 H C 0.171 174.841 175.328 -1.098 0.000 1.090 476 H CA 1.293 56.806 56.048 -0.892 0.000 1.332 476 H CB 0.192 29.476 29.762 -0.797 0.000 1.386 476 H HN 0.121 nan 8.280 nan 0.000 0.516 477 H N 0.435 119.197 119.070 -0.513 0.000 2.746 477 H HA 0.240 4.796 4.556 -0.000 0.000 0.269 477 H C -0.526 174.739 175.328 -0.104 0.000 1.248 477 H CA -0.115 55.709 56.048 -0.372 0.000 1.258 477 H CB -0.049 29.672 29.762 -0.068 0.000 1.441 477 H HN 0.502 nan 8.280 nan 0.000 0.508 478 H N -0.396 118.663 119.070 -0.019 0.000 2.960 478 H HA 0.184 4.739 4.556 -0.001 0.000 0.303 478 H C -0.238 175.045 175.328 -0.075 0.000 1.412 478 H CA -0.485 55.433 56.048 -0.216 0.000 1.227 478 H CB 1.210 30.813 29.762 -0.265 0.000 1.912 478 H HN 0.667 nan 8.280 nan 0.000 0.583 479 H N -0.725 118.338 119.070 -0.011 0.000 2.886 479 H HA -0.194 4.362 4.556 -0.001 0.000 0.294 479 H C -0.112 175.199 175.328 -0.030 0.000 1.246 479 H CA 0.518 56.569 56.048 0.006 0.000 1.142 479 H CB -2.557 27.207 29.762 0.003 0.000 1.358 479 H HN 0.679 nan 8.280 nan 0.000 0.406 480 H N 0.000 118.994 119.070 -0.127 0.000 2.539 480 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 480 H CA 0.000 55.968 56.048 -0.132 0.000 1.023 480 H CB 0.000 29.674 29.762 -0.146 0.000 1.292 480 H HN 0.000 nan 8.280 nan 0.000 0.496