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 1j12_1_B DATA FIRST_RESID 1 DATA SEQUENCE AVNGKGMNPD YKAYLMAPLK KIPEVTNWET FENDLRWAKQ NGFYAITVDF DATA SEQUENCE WWGDMEKNGD QQFDFSYAQR FAQSVKNAGM KMIPIISTHQ cGGNVGDDcN DATA SEQUENCE VPIPSWVWNQ KSDDSLYFKS ETGTVNKETL NPLASDVIRK EYGELYTAFA DATA SEQUENCE AAMKPYKDVI AKIYLSGGPA GELRYPSYTT SDGTGYPSRG KFQAYTEFAK DATA SEQUENCE SKFRLWVLNK YGSLNEVNKA WGTKLISELA ILPPSDGEQF LMNGYLSMYG DATA SEQUENCE KDYLEWYQGI LENHTKLIGE LAHNAFDTTF QVPIGAKIAG VHWQYNNPTI DATA SEQUENCE PHGAEKPAGY NDYSHLLDAF KSAKLDVTFT CLEMTDKGSY PEYSMPKTLV DATA SEQUENCE QNIATLANEK GIVLNGENAL SIGNEEEYKR VAEMAFNYNF AGFTLLRYQD DATA SEQUENCE VMYNNSLMGK FKDLLGVTPV MQTIVVKNVP TTIGDTVYIT GNRAELGSWD DATA SEQUENCE TKQYPIQLYY DSHSNDWRGN VVLPAERNIE FKAFIKSKDG TVKSWQTIQQ DATA SEQUENCE SWNPVPLKTT SHTSSW 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.590 177.584 0.010 0.000 1.274 1 A CA 0.000 51.987 52.037 -0.083 0.000 0.836 1 A CB 0.000 18.942 19.000 -0.097 0.000 0.831 2 V N 2.153 122.018 119.914 -0.082 0.000 2.617 2 V HA 0.177 4.291 4.120 -0.009 0.000 0.304 2 V C 0.534 176.632 176.094 0.007 0.000 1.040 2 V CA 1.369 63.656 62.300 -0.022 0.000 1.149 2 V CB -0.128 31.543 31.823 -0.253 0.000 0.914 2 V HN 1.113 nan 8.190 nan 0.000 0.487 3 N N 3.436 122.170 118.700 0.056 0.000 2.816 3 N HA -0.169 4.565 4.740 -0.009 0.000 0.247 3 N C 1.011 176.583 175.510 0.104 0.000 1.100 3 N CA 1.575 54.670 53.050 0.076 0.000 0.687 3 N CB -1.482 37.037 38.487 0.053 0.000 1.003 3 N HN 1.428 nan 8.380 nan 0.000 0.554 4 G N -1.120 107.764 108.800 0.141 0.000 2.228 4 G HA2 -0.444 3.511 3.960 -0.009 0.000 0.270 4 G HA3 -0.444 3.511 3.960 -0.009 0.000 0.270 4 G C 0.368 175.326 174.900 0.096 0.000 0.976 4 G CA 1.598 46.791 45.100 0.155 0.000 0.636 4 G HN 0.923 nan 8.290 nan 0.000 0.542 5 K N 0.178 120.622 120.400 0.073 0.000 2.155 5 K HA 0.681 4.996 4.320 -0.009 0.000 0.237 5 K C 0.938 177.549 176.600 0.019 0.000 1.040 5 K CA -0.267 56.049 56.287 0.049 0.000 0.912 5 K CB 0.740 33.262 32.500 0.036 0.000 1.137 5 K HN 0.483 nan 8.250 nan 0.000 0.498 6 G N -0.220 108.580 108.800 -0.000 0.000 2.938 6 G HA2 0.392 4.347 3.960 -0.009 0.000 0.258 6 G HA3 0.392 4.347 3.960 -0.009 0.000 0.258 6 G C -0.384 174.491 174.900 -0.041 0.000 1.356 6 G CA -1.255 43.823 45.100 -0.037 0.000 1.052 6 G HN 0.821 nan 8.290 nan 0.000 0.550 7 M N 0.300 119.850 119.600 -0.082 0.000 2.248 7 M HA 0.244 4.718 4.480 -0.009 0.000 0.337 7 M C 0.109 176.403 176.300 -0.009 0.000 1.121 7 M CA -0.437 54.829 55.300 -0.056 0.000 1.155 7 M CB 0.472 32.937 32.600 -0.225 0.000 1.514 7 M HN 0.428 nan 8.290 nan 0.000 0.452 8 N N 4.316 123.059 118.700 0.071 0.000 2.434 8 N HA 0.077 4.812 4.740 -0.009 0.000 0.268 8 N C -1.743 173.817 175.510 0.082 0.000 1.256 8 N CA -1.145 51.959 53.050 0.091 0.000 0.914 8 N CB 0.795 39.374 38.487 0.154 0.000 1.088 8 N HN 0.534 nan 8.380 nan 0.000 0.478 9 P HA -0.107 nan 4.420 nan 0.000 0.221 9 P C 0.006 177.321 177.300 0.025 0.000 1.145 9 P CA 1.155 64.262 63.100 0.013 0.000 0.795 9 P CB 0.405 32.102 31.700 -0.004 0.000 0.775 10 D N -1.754 118.672 120.400 0.044 0.000 2.340 10 D HA -0.043 4.592 4.640 -0.009 0.000 0.220 10 D C 0.708 177.020 176.300 0.020 0.000 1.039 10 D CA -0.215 53.793 54.000 0.014 0.000 0.866 10 D CB -0.679 40.130 40.800 0.015 0.000 0.913 10 D HN 0.239 nan 8.370 nan 0.000 0.523 11 Y N 2.493 122.784 120.300 -0.014 0.000 2.904 11 Y HA -0.076 4.466 4.550 -0.014 0.000 0.336 11 Y C 0.033 175.886 175.900 -0.077 0.000 1.263 11 Y CA 0.457 58.561 58.100 0.007 0.000 1.547 11 Y CB 0.268 38.778 38.460 0.084 0.000 1.272 11 Y HN -0.293 nan 8.280 nan 0.000 0.596 12 K N 4.293 124.014 120.400 -1.131 0.000 2.527 12 K HA 0.739 5.053 4.320 -0.009 0.000 0.260 12 K C -1.543 174.258 176.600 -1.331 0.000 0.937 12 K CA -0.923 54.751 56.287 -1.021 0.000 0.826 12 K CB 1.920 34.023 32.500 -0.661 0.000 1.359 12 K HN 0.644 nan 8.250 nan 0.000 0.434 13 A N 2.289 124.645 122.820 -0.774 0.000 2.305 13 A HA 0.701 5.016 4.320 -0.009 0.000 0.322 13 A C -1.407 176.077 177.584 -0.167 0.000 1.187 13 A CA -0.380 51.447 52.037 -0.351 0.000 0.825 13 A CB 0.216 19.268 19.000 0.086 0.000 1.164 13 A HN 0.642 nan 8.150 nan 0.000 0.498 14 Y N 0.872 121.357 120.300 0.307 0.000 2.499 14 Y HA 0.587 5.130 4.550 -0.011 0.000 0.347 14 Y C -0.332 175.672 175.900 0.173 0.000 0.987 14 Y CA -1.117 57.133 58.100 0.250 0.000 1.044 14 Y CB 2.047 40.583 38.460 0.127 0.000 1.245 14 Y HN 0.611 nan 8.280 nan 0.000 0.461 15 L N 3.418 124.707 121.223 0.110 0.000 2.322 15 L HA 0.579 4.914 4.340 -0.009 0.000 0.281 15 L C -0.742 176.085 176.870 -0.071 0.000 1.014 15 L CA -0.941 53.754 54.840 -0.243 0.000 0.815 15 L CB 1.388 42.956 42.059 -0.819 0.000 1.247 15 L HN 0.730 nan 8.230 nan 0.000 0.421 16 M N 4.740 124.304 119.600 -0.059 0.000 2.185 16 M HA 0.599 5.073 4.480 -0.009 0.000 0.357 16 M C 0.048 176.359 176.300 0.019 0.000 1.260 16 M CA 0.141 55.426 55.300 -0.026 0.000 1.124 16 M CB 0.885 33.462 32.600 -0.037 0.000 1.600 16 M HN 0.773 nan 8.290 nan 0.000 0.467 17 A N 6.503 129.322 122.820 -0.002 0.000 2.313 17 A HA 0.671 4.986 4.320 -0.009 0.000 0.261 17 A C -2.458 175.094 177.584 -0.054 0.000 1.090 17 A CA -1.268 50.751 52.037 -0.029 0.000 0.807 17 A CB -0.766 18.235 19.000 0.002 0.000 1.055 17 A HN 0.671 nan 8.150 nan 0.000 0.492 18 P HA 0.053 nan 4.420 nan 0.000 0.269 18 P C 0.639 177.945 177.300 0.010 0.000 1.217 18 P CA -0.328 62.748 63.100 -0.040 0.000 0.783 18 P CB 0.355 31.996 31.700 -0.099 0.000 0.898 19 L N 0.634 121.898 121.223 0.068 0.000 2.156 19 L HA -0.031 4.304 4.340 -0.009 0.000 0.208 19 L C 1.098 178.072 176.870 0.173 0.000 1.095 19 L CA 1.729 56.666 54.840 0.161 0.000 0.770 19 L CB -0.956 41.184 42.059 0.135 0.000 0.914 19 L HN 0.366 nan 8.230 nan 0.000 0.439 20 K N -0.487 119.948 120.400 0.058 0.000 2.106 20 K HA 0.330 4.645 4.320 -0.009 0.000 0.246 20 K C -0.260 176.321 176.600 -0.030 0.000 0.987 20 K CA -0.921 55.370 56.287 0.007 0.000 0.904 20 K CB 0.828 33.306 32.500 -0.038 0.000 1.071 20 K HN -0.188 nan 8.250 nan 0.000 0.453 21 K N 1.026 121.362 120.400 -0.106 0.000 2.448 21 K HA 0.013 4.328 4.320 -0.009 0.000 0.278 21 K C 1.235 177.748 176.600 -0.144 0.000 1.009 21 K CA -0.435 55.742 56.287 -0.183 0.000 0.995 21 K CB 0.309 32.538 32.500 -0.452 0.000 0.917 21 K HN 0.468 nan 8.250 nan 0.000 0.481 22 I N 3.799 124.287 120.570 -0.137 0.000 2.145 22 I HA -0.217 3.948 4.170 -0.009 0.000 0.244 22 I C -0.814 175.017 176.117 -0.477 0.000 1.075 22 I CA 1.633 62.647 61.300 -0.476 0.000 1.332 22 I CB -1.905 35.460 38.000 -1.058 0.000 1.033 22 I HN 0.538 nan 8.210 nan 0.000 0.410 23 P HA -0.114 nan 4.420 nan 0.000 0.231 23 P C 1.203 178.398 177.300 -0.175 0.000 1.158 23 P CA 1.145 64.048 63.100 -0.328 0.000 0.763 23 P CB -0.041 31.552 31.700 -0.178 0.000 0.805 24 E N -1.507 118.601 120.200 -0.152 0.000 2.400 24 E HA 0.019 4.364 4.350 -0.009 0.000 0.195 24 E C 1.375 177.930 176.600 -0.076 0.000 1.012 24 E CA 0.412 56.753 56.400 -0.097 0.000 0.875 24 E CB 0.135 29.781 29.700 -0.090 0.000 0.859 24 E HN 0.131 nan 8.360 nan 0.000 0.498 25 V N -0.201 119.658 119.914 -0.092 0.000 2.922 25 V HA 0.066 4.181 4.120 -0.009 0.000 0.242 25 V C 1.099 177.187 176.094 -0.011 0.000 1.094 25 V CA 1.071 63.354 62.300 -0.028 0.000 1.106 25 V CB 1.097 32.916 31.823 -0.007 0.000 0.799 25 V HN 0.138 nan 8.190 nan 0.000 0.474 26 T N -0.408 114.104 114.554 -0.071 0.000 2.644 26 T HA 0.352 4.696 4.350 -0.009 0.000 0.288 26 T C -1.769 172.854 174.700 -0.128 0.000 1.332 26 T CA -0.029 62.049 62.100 -0.037 0.000 1.077 26 T CB 1.104 70.019 68.868 0.077 0.000 1.799 26 T HN 0.499 nan 8.240 nan 0.000 0.451 27 N N -0.852 117.803 118.700 -0.076 0.000 2.328 27 N HA 0.404 5.138 4.740 -0.009 0.000 0.299 27 N C 0.421 175.901 175.510 -0.050 0.000 1.179 27 N CA -0.849 52.133 53.050 -0.113 0.000 0.793 27 N CB 0.541 39.034 38.487 0.010 0.000 1.366 27 N HN 0.771 nan 8.380 nan 0.000 0.493 28 W N -0.138 121.233 121.300 0.118 0.000 2.321 28 W HA -0.133 4.521 4.660 -0.010 0.000 0.306 28 W C 1.541 178.167 176.519 0.179 0.000 1.217 28 W CA 0.950 58.391 57.345 0.159 0.000 1.257 28 W CB -0.049 29.471 29.460 0.101 0.000 1.145 28 W HN 0.634 nan 8.180 nan 0.000 0.509 29 E N -0.655 119.742 120.200 0.330 0.000 2.072 29 E HA -0.147 4.197 4.350 -0.009 0.000 0.191 29 E C 2.053 178.759 176.600 0.176 0.000 0.985 29 E CA 2.054 58.581 56.400 0.212 0.000 0.801 29 E CB -0.990 28.799 29.700 0.148 0.000 0.750 29 E HN 0.091 nan 8.360 nan 0.000 0.452 30 T N 0.798 115.459 114.554 0.178 0.000 2.777 30 T HA -0.118 4.227 4.350 -0.009 0.000 0.266 30 T C 1.495 176.328 174.700 0.222 0.000 1.040 30 T CA 0.998 63.196 62.100 0.163 0.000 1.141 30 T CB -0.430 68.528 68.868 0.151 0.000 0.868 30 T HN 0.143 nan 8.240 nan 0.000 0.444 31 F N 2.287 122.306 119.950 0.114 0.000 2.095 31 F HA -0.119 4.403 4.527 -0.008 0.000 0.298 31 F C 2.164 178.040 175.800 0.126 0.000 1.104 31 F CA 1.405 59.481 58.000 0.128 0.000 1.232 31 F CB -0.472 38.567 39.000 0.064 0.000 0.987 31 F HN 0.196 nan 8.300 nan 0.000 0.475 32 E N -0.175 120.010 120.200 -0.024 0.000 2.077 32 E HA -0.221 4.123 4.350 -0.009 0.000 0.193 32 E C 1.987 178.531 176.600 -0.092 0.000 0.989 32 E CA 1.201 57.511 56.400 -0.151 0.000 0.800 32 E CB -0.273 29.426 29.700 -0.003 0.000 0.746 32 E HN 0.421 nan 8.360 nan 0.000 0.452 33 N N 1.043 119.747 118.700 0.006 0.000 2.188 33 N HA -0.135 4.600 4.740 -0.009 0.000 0.184 33 N C 1.261 176.808 175.510 0.063 0.000 1.018 33 N CA 1.016 54.087 53.050 0.035 0.000 0.858 33 N CB -0.165 38.350 38.487 0.047 0.000 0.989 33 N HN 0.160 nan 8.380 nan 0.000 0.426 34 D N 0.948 121.386 120.400 0.062 0.000 2.144 34 D HA -0.049 4.586 4.640 -0.009 0.000 0.200 34 D C 2.152 178.479 176.300 0.045 0.000 0.978 34 D CA 0.390 54.456 54.000 0.111 0.000 0.833 34 D CB -0.197 40.700 40.800 0.163 0.000 0.961 34 D HN 0.245 nan 8.370 nan 0.000 0.470 35 L N 0.336 121.483 121.223 -0.126 0.000 2.083 35 L HA -0.106 4.228 4.340 -0.009 0.000 0.209 35 L C 2.490 179.327 176.870 -0.056 0.000 1.083 35 L CA 1.002 55.736 54.840 -0.177 0.000 0.752 35 L CB -0.210 41.627 42.059 -0.370 0.000 0.899 35 L HN -0.043 nan 8.230 nan 0.000 0.433 36 R N -0.985 119.516 120.500 0.002 0.000 2.115 36 R HA -0.179 4.156 4.340 -0.009 0.000 0.226 36 R C 2.150 178.549 176.300 0.165 0.000 1.100 36 R CA 1.426 57.562 56.100 0.060 0.000 0.980 36 R CB -0.374 29.964 30.300 0.063 0.000 0.875 36 R HN 0.540 nan 8.270 nan 0.000 0.445 37 W N 1.469 122.754 121.300 -0.025 0.000 2.379 37 W HA -0.182 4.474 4.660 -0.007 0.000 0.307 37 W C 1.968 178.509 176.519 0.036 0.000 1.200 37 W CA 1.180 58.525 57.345 0.000 0.000 1.297 37 W CB -0.120 29.328 29.460 -0.021 0.000 1.140 37 W HN 0.136 nan 8.180 nan 0.000 0.507 38 A N 1.001 123.776 122.820 -0.076 0.000 1.908 38 A HA -0.299 4.016 4.320 -0.009 0.000 0.218 38 A C 2.012 179.635 177.584 0.066 0.000 1.181 38 A CA 2.228 54.202 52.037 -0.106 0.000 0.627 38 A CB -1.105 17.778 19.000 -0.196 0.000 0.818 38 A HN 0.417 nan 8.150 nan 0.000 0.445 39 K N -0.624 119.796 120.400 0.032 0.000 2.097 39 K HA -0.199 4.115 4.320 -0.009 0.000 0.206 39 K C 2.197 178.805 176.600 0.013 0.000 1.049 39 K CA 1.628 57.945 56.287 0.049 0.000 0.933 39 K CB -0.172 32.340 32.500 0.020 0.000 0.717 39 K HN 0.631 nan 8.250 nan 0.000 0.442 40 Q N 0.141 119.925 119.800 -0.027 0.000 2.364 40 Q HA -0.052 4.283 4.340 -0.009 0.000 0.207 40 Q C 0.477 176.382 176.000 -0.158 0.000 0.970 40 Q CA 0.839 56.613 55.803 -0.049 0.000 0.888 40 Q CB 0.243 29.005 28.738 0.039 0.000 0.951 40 Q HN 0.334 nan 8.270 nan 0.000 0.469 41 N N -0.881 117.675 118.700 -0.240 0.000 2.279 41 N HA 0.091 4.825 4.740 -0.009 0.000 0.226 41 N C 0.274 175.675 175.510 -0.181 0.000 1.126 41 N CA 0.773 53.672 53.050 -0.251 0.000 0.846 41 N CB 1.361 39.622 38.487 -0.376 0.000 1.050 41 N HN 0.380 nan 8.380 nan 0.000 0.502 42 G N 0.681 109.418 108.800 -0.105 0.000 2.175 42 G HA2 -0.265 3.690 3.960 -0.009 0.000 0.244 42 G HA3 -0.265 3.690 3.960 -0.009 0.000 0.244 42 G C -0.140 174.720 174.900 -0.068 0.000 0.982 42 G CA -0.428 44.617 45.100 -0.091 0.000 0.641 42 G HN 0.254 nan 8.290 nan 0.000 0.527 43 F N 0.421 120.400 119.950 0.049 0.000 2.472 43 F HA 0.539 5.061 4.527 -0.008 0.000 0.364 43 F C 1.368 177.230 175.800 0.102 0.000 1.090 43 F CA -0.472 57.560 58.000 0.054 0.000 1.188 43 F CB 0.702 39.671 39.000 -0.051 0.000 1.105 43 F HN 0.102 nan 8.300 nan 0.000 0.536 44 Y N 3.078 123.501 120.300 0.205 0.000 2.231 44 Y HA 0.396 4.942 4.550 -0.005 0.000 0.294 44 Y C 0.772 176.805 175.900 0.222 0.000 1.120 44 Y CA 0.851 59.057 58.100 0.177 0.000 1.141 44 Y CB 0.083 38.637 38.460 0.157 0.000 1.022 44 Y HN 0.490 nan 8.280 nan 0.000 0.523 45 A N -0.250 122.777 122.820 0.345 0.000 2.594 45 A HA 0.536 4.850 4.320 -0.009 0.000 0.291 45 A C -1.840 175.843 177.584 0.165 0.000 1.105 45 A CA -0.682 51.431 52.037 0.128 0.000 0.694 45 A CB 0.696 19.730 19.000 0.056 0.000 1.291 45 A HN 0.202 nan 8.150 nan 0.000 0.410 46 I N 1.736 122.347 120.570 0.069 0.000 2.354 46 I HA 0.523 4.688 4.170 -0.009 0.000 0.292 46 I C 0.417 176.570 176.117 0.059 0.000 0.989 46 I CA -0.179 61.170 61.300 0.083 0.000 1.188 46 I CB 1.689 39.770 38.000 0.136 0.000 1.342 46 I HN 0.841 nan 8.210 nan 0.000 0.457 47 T N 4.463 119.024 114.554 0.013 0.000 2.909 47 T HA 0.588 4.933 4.350 -0.009 0.000 0.289 47 T C -0.530 174.081 174.700 -0.148 0.000 1.005 47 T CA -0.625 61.437 62.100 -0.064 0.000 1.084 47 T CB 1.777 70.624 68.868 -0.035 0.000 0.975 47 T HN 0.438 nan 8.240 nan 0.000 0.509 48 V N 1.564 121.271 119.914 -0.345 0.000 2.891 48 V HA 0.340 4.454 4.120 -0.009 0.000 0.304 48 V C -1.530 174.043 176.094 -0.868 0.000 1.171 48 V CA -0.958 60.977 62.300 -0.609 0.000 0.943 48 V CB 2.236 33.496 31.823 -0.938 0.000 1.037 48 V HN 1.086 nan 8.190 nan 0.000 0.427 49 D N 5.375 125.294 120.400 -0.802 0.000 2.308 49 D HA 0.319 4.953 4.640 -0.009 0.000 0.251 49 D C -0.951 174.690 176.300 -1.098 0.000 1.127 49 D CA 0.494 53.889 54.000 -1.008 0.000 0.876 49 D CB 1.188 41.226 40.800 -1.271 0.000 1.176 49 D HN 0.433 nan 8.370 nan 0.000 0.446 50 F N 1.894 121.438 119.950 -0.676 0.000 2.366 50 F HA 0.236 4.757 4.527 -0.010 0.000 0.366 50 F C -0.062 175.509 175.800 -0.383 0.000 1.096 50 F CA -1.272 56.509 58.000 -0.365 0.000 1.060 50 F CB 0.770 39.708 39.000 -0.103 0.000 1.282 50 F HN 0.228 nan 8.300 nan 0.000 0.450 51 W N 3.625 125.028 121.300 0.173 0.000 2.251 51 W HA -0.016 4.639 4.660 -0.008 0.000 0.327 51 W C 0.928 177.564 176.519 0.195 0.000 1.361 51 W CA -0.565 56.831 57.345 0.086 0.000 1.234 51 W CB 0.400 29.868 29.460 0.012 0.000 1.212 51 W HN 0.641 nan 8.180 nan 0.000 0.557 52 W N 2.870 124.280 121.300 0.184 0.000 2.374 52 W HA -0.098 4.557 4.660 -0.008 0.000 0.288 52 W C 1.872 178.461 176.519 0.117 0.000 1.218 52 W CA 1.803 59.216 57.345 0.113 0.000 1.245 52 W CB -0.930 28.542 29.460 0.019 0.000 1.126 52 W HN 0.472 nan 8.180 nan 0.000 0.545 53 G N -0.139 108.779 108.800 0.197 0.000 2.470 53 G HA2 -0.262 3.692 3.960 -0.009 0.000 0.220 53 G HA3 -0.262 3.692 3.960 -0.009 0.000 0.220 53 G C 1.186 176.123 174.900 0.061 0.000 1.121 53 G CA 1.348 46.447 45.100 -0.001 0.000 0.766 53 G HN 0.225 nan 8.290 nan 0.000 0.553 54 D N -0.004 120.502 120.400 0.176 0.000 2.338 54 D HA 0.076 4.711 4.640 -0.009 0.000 0.224 54 D C 2.627 179.002 176.300 0.125 0.000 0.967 54 D CA 0.325 54.409 54.000 0.140 0.000 0.896 54 D CB -0.163 40.750 40.800 0.188 0.000 1.028 54 D HN 0.269 nan 8.370 nan 0.000 0.493 55 M N -0.077 119.634 119.600 0.185 0.000 2.557 55 M HA -0.004 4.471 4.480 -0.009 0.000 0.259 55 M C 0.667 177.050 176.300 0.137 0.000 1.086 55 M CA 1.010 56.362 55.300 0.087 0.000 1.096 55 M CB 0.310 33.016 32.600 0.176 0.000 1.424 55 M HN -0.126 nan 8.290 nan 0.000 0.488 56 E N 0.602 120.946 120.200 0.239 0.000 4.126 56 E HA 0.020 4.365 4.350 -0.009 0.000 0.198 56 E C 0.731 177.491 176.600 0.267 0.000 1.093 56 E CA -0.059 56.485 56.400 0.239 0.000 1.471 56 E CB 0.462 30.467 29.700 0.509 0.000 1.190 56 E HN 0.377 nan 8.360 nan 0.000 0.407 57 K N -0.279 120.208 120.400 0.146 0.000 2.116 57 K HA 0.040 4.354 4.320 -0.009 0.000 0.203 57 K C 1.016 177.735 176.600 0.197 0.000 1.052 57 K CA 0.646 57.018 56.287 0.143 0.000 0.952 57 K CB 0.075 32.602 32.500 0.045 0.000 0.729 57 K HN -0.007 nan 8.250 nan 0.000 0.446 58 N N 1.206 119.945 118.700 0.065 0.000 2.512 58 N HA 0.035 4.769 4.740 -0.009 0.000 0.183 58 N C 0.564 175.974 175.510 -0.167 0.000 1.073 58 N CA 1.170 54.210 53.050 -0.017 0.000 0.911 58 N CB 0.733 39.188 38.487 -0.054 0.000 0.964 58 N HN 0.510 nan 8.380 nan 0.000 0.447 59 G N -0.104 108.451 108.800 -0.409 0.000 2.352 59 G HA2 -0.061 3.894 3.960 -0.009 0.000 0.302 59 G HA3 -0.061 3.894 3.960 -0.009 0.000 0.302 59 G C -1.943 172.129 174.900 -1.379 0.000 1.370 59 G CA -0.897 43.522 45.100 -1.134 0.000 0.918 59 G HN -0.006 nan 8.290 nan 0.000 0.610 60 D N 0.680 120.048 120.400 -1.720 0.000 2.487 60 D HA 0.354 4.989 4.640 -0.009 0.000 0.243 60 D C 1.137 177.036 176.300 -0.668 0.000 1.154 60 D CA 1.077 54.347 54.000 -1.217 0.000 0.876 60 D CB 0.494 40.799 40.800 -0.826 0.000 1.161 60 D HN 0.518 nan 8.370 nan 0.000 0.478 61 Q N 1.463 120.865 119.800 -0.663 0.000 2.416 61 Q HA -0.260 4.075 4.340 -0.009 0.000 0.235 61 Q C -0.503 175.050 176.000 -0.745 0.000 0.773 61 Q CA 0.946 56.281 55.803 -0.780 0.000 1.286 61 Q CB -1.827 26.753 28.738 -0.263 0.000 1.556 61 Q HN 0.769 nan 8.270 nan 0.000 0.650 62 Q N 0.245 119.651 119.800 -0.657 0.000 2.963 62 Q HA 0.376 4.711 4.340 -0.009 0.000 0.262 62 Q C -0.256 175.561 176.000 -0.304 0.000 1.318 62 Q CA -0.209 55.377 55.803 -0.361 0.000 1.089 62 Q CB -0.072 28.502 28.738 -0.274 0.000 1.424 62 Q HN 0.162 nan 8.270 nan 0.000 0.560 63 F N 0.808 120.737 119.950 -0.036 0.000 2.444 63 F HA 0.154 4.676 4.527 -0.008 0.000 0.331 63 F C 0.813 176.453 175.800 -0.266 0.000 1.167 63 F CA -0.266 57.620 58.000 -0.189 0.000 1.262 63 F CB 0.649 39.561 39.000 -0.147 0.000 1.196 63 F HN 0.203 nan 8.300 nan 0.000 0.583 64 D N 1.374 121.596 120.400 -0.297 0.000 2.375 64 D HA 0.230 4.864 4.640 -0.009 0.000 0.241 64 D C -0.864 175.239 176.300 -0.329 0.000 1.361 64 D CA -0.411 53.477 54.000 -0.185 0.000 0.995 64 D CB 0.191 40.963 40.800 -0.047 0.000 1.312 64 D HN 0.334 nan 8.370 nan 0.000 0.576 65 F N 1.519 121.535 119.950 0.110 0.000 2.668 65 F HA 0.099 4.621 4.527 -0.008 0.000 0.301 65 F C 2.324 178.111 175.800 -0.023 0.000 1.106 65 F CA -0.201 57.807 58.000 0.015 0.000 1.289 65 F CB 0.495 39.455 39.000 -0.066 0.000 1.006 65 F HN 0.294 nan 8.300 nan 0.000 0.535 66 S N -0.220 115.575 115.700 0.158 0.000 2.370 66 S HA -0.333 4.131 4.470 -0.009 0.000 0.226 66 S C 1.970 176.631 174.600 0.102 0.000 1.033 66 S CA 1.404 59.673 58.200 0.114 0.000 1.011 66 S CB -0.973 62.298 63.200 0.118 0.000 0.852 66 S HN 0.523 nan 8.310 nan 0.000 0.457 67 Y N 2.788 123.124 120.300 0.060 0.000 2.163 67 Y HA 0.104 4.649 4.550 -0.009 0.000 0.288 67 Y C 2.692 178.619 175.900 0.045 0.000 1.136 67 Y CA 0.785 58.953 58.100 0.114 0.000 1.147 67 Y CB -1.050 37.512 38.460 0.170 0.000 0.987 67 Y HN 0.322 nan 8.280 nan 0.000 0.509 68 A N 0.227 122.908 122.820 -0.233 0.000 1.883 68 A HA -0.266 4.048 4.320 -0.009 0.000 0.217 68 A C 2.109 179.414 177.584 -0.464 0.000 1.186 68 A CA 2.079 53.703 52.037 -0.688 0.000 0.624 68 A CB -0.776 17.648 19.000 -0.959 0.000 0.822 68 A HN 0.673 nan 8.150 nan 0.000 0.444 69 Q N -1.398 118.182 119.800 -0.367 0.000 2.119 69 Q HA -0.183 4.152 4.340 -0.009 0.000 0.201 69 Q C 2.351 178.023 176.000 -0.548 0.000 0.972 69 Q CA 1.485 56.999 55.803 -0.483 0.000 0.847 69 Q CB -0.169 28.481 28.738 -0.148 0.000 0.903 69 Q HN 0.541 nan 8.270 nan 0.000 0.433 70 R N 0.775 121.039 120.500 -0.393 0.000 2.066 70 R HA -0.141 4.194 4.340 -0.009 0.000 0.232 70 R C 1.775 177.645 176.300 -0.718 0.000 1.131 70 R CA 1.399 57.180 56.100 -0.531 0.000 0.955 70 R CB -0.841 29.186 30.300 -0.456 0.000 0.851 70 R HN 0.266 nan 8.270 nan 0.000 0.432 71 F N 0.604 120.133 119.950 -0.701 0.000 2.126 71 F HA -0.149 4.372 4.527 -0.010 0.000 0.299 71 F C 1.974 177.629 175.800 -0.241 0.000 1.096 71 F CA 1.823 59.594 58.000 -0.381 0.000 1.255 71 F CB -0.475 38.406 39.000 -0.199 0.000 0.997 71 F HN 0.161 nan 8.300 nan 0.000 0.479 72 A N -0.488 122.226 122.820 -0.175 0.000 1.972 72 A HA -0.241 4.074 4.320 -0.009 0.000 0.219 72 A C 2.031 179.398 177.584 -0.361 0.000 1.169 72 A CA 1.696 53.543 52.037 -0.318 0.000 0.635 72 A CB -0.829 17.724 19.000 -0.744 0.000 0.810 72 A HN 0.520 nan 8.150 nan 0.000 0.446 73 Q N 0.179 119.713 119.800 -0.443 0.000 2.079 73 Q HA -0.070 4.264 4.340 -0.009 0.000 0.200 73 Q C 2.211 178.099 176.000 -0.187 0.000 0.974 73 Q CA 2.173 57.844 55.803 -0.220 0.000 0.840 73 Q CB -0.475 28.131 28.738 -0.219 0.000 0.898 73 Q HN 0.533 nan 8.270 nan 0.000 0.430 74 S N -0.881 114.659 115.700 -0.266 0.000 2.383 74 S HA -0.091 4.374 4.470 -0.009 0.000 0.227 74 S C 1.877 176.387 174.600 -0.151 0.000 1.026 74 S CA 1.097 59.215 58.200 -0.137 0.000 0.981 74 S CB -0.269 62.970 63.200 0.066 0.000 0.818 74 S HN 0.260 nan 8.310 nan 0.000 0.472 75 V N 2.088 121.881 119.914 -0.202 0.000 2.343 75 V HA -0.194 3.921 4.120 -0.009 0.000 0.247 75 V C 2.387 178.411 176.094 -0.117 0.000 1.051 75 V CA 1.819 64.003 62.300 -0.193 0.000 1.036 75 V CB -0.525 31.213 31.823 -0.141 0.000 0.654 75 V HN 0.455 nan 8.190 nan 0.000 0.451 76 K N 0.296 120.652 120.400 -0.074 0.000 2.025 76 K HA -0.196 4.119 4.320 -0.009 0.000 0.207 76 K C 2.002 178.578 176.600 -0.040 0.000 1.049 76 K CA 1.727 57.997 56.287 -0.028 0.000 0.933 76 K CB -0.183 32.335 32.500 0.030 0.000 0.714 76 K HN 0.411 nan 8.250 nan 0.000 0.438 77 N N 0.755 119.424 118.700 -0.050 0.000 2.205 77 N HA -0.140 4.594 4.740 -0.009 0.000 0.186 77 N C 1.297 176.779 175.510 -0.046 0.000 1.015 77 N CA 1.362 54.389 53.050 -0.039 0.000 0.862 77 N CB -0.237 38.229 38.487 -0.035 0.000 0.986 77 N HN 0.314 nan 8.380 nan 0.000 0.429 78 A N -0.298 122.475 122.820 -0.079 0.000 2.251 78 A HA 0.424 4.738 4.320 -0.009 0.000 0.209 78 A C 1.333 178.877 177.584 -0.067 0.000 1.187 78 A CA 0.564 52.550 52.037 -0.085 0.000 0.823 78 A CB -0.426 18.480 19.000 -0.157 0.000 0.846 78 A HN 0.271 nan 8.150 nan 0.000 0.486 79 G N -1.148 107.617 108.800 -0.059 0.000 2.246 79 G HA2 -0.268 3.686 3.960 -0.009 0.000 0.273 79 G HA3 -0.268 3.686 3.960 -0.009 0.000 0.273 79 G C -0.070 174.786 174.900 -0.074 0.000 1.055 79 G CA 0.898 45.968 45.100 -0.049 0.000 0.851 79 G HN 0.610 nan 8.290 nan 0.000 0.500 80 M N -1.240 118.298 119.600 -0.102 0.000 2.755 80 M HA 0.716 5.190 4.480 -0.009 0.000 0.298 80 M C -0.341 175.863 176.300 -0.160 0.000 1.251 80 M CA -0.987 54.227 55.300 -0.144 0.000 0.817 80 M CB 1.222 33.740 32.600 -0.136 0.000 1.760 80 M HN -0.053 nan 8.290 nan 0.000 0.473 81 K N 1.759 122.015 120.400 -0.240 0.000 2.139 81 K HA 0.693 5.007 4.320 -0.009 0.000 0.243 81 K C -0.988 175.553 176.600 -0.099 0.000 0.983 81 K CA -0.494 55.672 56.287 -0.203 0.000 0.890 81 K CB 1.849 34.120 32.500 -0.381 0.000 1.090 81 K HN 0.850 nan 8.250 nan 0.000 0.445 82 M N -0.797 118.778 119.600 -0.042 0.000 2.593 82 M HA 0.582 5.056 4.480 -0.009 0.000 0.290 82 M C -1.194 175.075 176.300 -0.050 0.000 1.244 82 M CA -0.791 54.522 55.300 0.020 0.000 0.857 82 M CB 1.871 34.572 32.600 0.168 0.000 1.738 82 M HN 0.376 nan 8.290 nan 0.000 0.461 83 I N 3.099 123.621 120.570 -0.080 0.000 2.521 83 I HA 0.404 4.568 4.170 -0.009 0.000 0.277 83 I C -2.422 173.602 176.117 -0.154 0.000 1.054 83 I CA -1.745 59.457 61.300 -0.162 0.000 1.117 83 I CB 1.866 39.719 38.000 -0.245 0.000 1.217 83 I HN 0.482 nan 8.210 nan 0.000 0.469 84 P HA 0.288 nan 4.420 nan 0.000 0.275 84 P C -0.638 176.512 177.300 -0.250 0.000 1.228 84 P CA -0.016 62.966 63.100 -0.198 0.000 0.786 84 P CB 1.559 33.384 31.700 0.208 0.000 0.927 85 I N 3.488 123.849 120.570 -0.348 0.000 2.389 85 I HA 0.240 4.405 4.170 -0.009 0.000 0.288 85 I C 0.556 176.471 176.117 -0.336 0.000 0.999 85 I CA -1.071 60.066 61.300 -0.271 0.000 1.129 85 I CB 1.471 39.293 38.000 -0.297 0.000 1.288 85 I HN 0.092 nan 8.210 nan 0.000 0.444 86 I N 5.194 125.572 120.570 -0.319 0.000 2.357 86 I HA 0.045 4.210 4.170 -0.009 0.000 0.300 86 I C 0.528 176.524 176.117 -0.202 0.000 1.159 86 I CA 0.345 61.461 61.300 -0.307 0.000 1.339 86 I CB -0.583 37.249 38.000 -0.281 0.000 1.458 86 I HN 0.479 nan 8.210 nan 0.000 0.577 87 S N 4.296 119.838 115.700 -0.263 0.000 3.065 87 S HA 0.072 4.536 4.470 -0.009 0.000 0.311 87 S C 1.414 175.972 174.600 -0.069 0.000 1.204 87 S CA -0.426 57.600 58.200 -0.289 0.000 1.040 87 S CB -0.328 62.355 63.200 -0.863 0.000 1.436 87 S HN 0.712 nan 8.310 nan 0.000 0.532 88 T N -0.072 114.497 114.554 0.025 0.000 3.366 88 T HA 0.074 4.418 4.350 -0.009 0.000 0.249 88 T C 0.398 175.349 174.700 0.417 0.000 1.028 88 T CA -0.431 61.770 62.100 0.169 0.000 0.938 88 T CB -0.608 68.025 68.868 -0.391 0.000 1.046 88 T HN 0.753 nan 8.240 nan 0.000 0.587 89 H N -1.265 118.035 119.070 0.382 0.000 2.834 89 H HA 0.492 5.042 4.556 -0.009 0.000 0.369 89 H C -0.837 174.706 175.328 0.359 0.000 1.174 89 H CA -1.093 55.166 56.048 0.351 0.000 1.165 89 H CB 1.351 31.283 29.762 0.283 0.000 1.820 89 H HN 0.211 nan 8.280 nan 0.000 0.558 90 Q N 1.041 121.018 119.800 0.296 0.000 2.332 90 Q HA 0.223 4.558 4.340 -0.009 0.000 0.263 90 Q C -0.853 175.140 176.000 -0.012 0.000 0.979 90 Q CA -0.395 55.457 55.803 0.081 0.000 0.885 90 Q CB 0.674 29.459 28.738 0.078 0.000 1.218 90 Q HN 0.579 nan 8.270 nan 0.000 0.405 91 c N 4.014 122.336 118.600 -0.463 0.000 2.330 91 c HA 0.856 5.420 4.570 -0.009 0.000 0.344 91 c C 0.150 174.041 174.090 -0.331 0.000 1.273 91 c CA 1.066 57.001 56.329 -0.656 0.000 1.879 91 c CB -0.733 40.826 42.510 -1.584 0.000 2.376 91 c HN 1.003 nan 8.230 nan 0.000 0.534 92 G N 3.746 112.448 108.800 -0.163 0.000 2.885 92 G HA2 0.467 4.422 3.960 -0.009 0.000 0.685 92 G HA3 0.467 4.422 3.960 -0.009 0.000 0.685 92 G C 0.448 175.317 174.900 -0.052 0.000 1.216 92 G CA 0.244 45.279 45.100 -0.109 0.000 0.790 92 G HN 2.383 nan 8.290 nan 0.000 0.631 93 G N 0.979 109.759 108.800 -0.034 0.000 2.279 93 G HA2 -0.229 3.726 3.960 -0.009 0.000 0.223 93 G HA3 -0.229 3.726 3.960 -0.009 0.000 0.223 93 G C 0.365 175.262 174.900 -0.004 0.000 1.015 93 G CA 0.711 45.799 45.100 -0.019 0.000 0.621 93 G HN 1.287 nan 8.290 nan 0.000 0.506 94 N N 0.351 119.055 118.700 0.008 0.000 2.476 94 N HA 0.458 5.192 4.740 -0.009 0.000 0.275 94 N C 0.662 176.192 175.510 0.032 0.000 1.190 94 N CA -0.139 52.926 53.050 0.025 0.000 0.977 94 N CB 1.541 40.050 38.487 0.037 0.000 1.200 94 N HN 0.138 nan 8.380 nan 0.000 0.515 95 V N 1.221 121.164 119.914 0.049 0.000 2.555 95 V HA 0.058 4.173 4.120 -0.009 0.000 0.299 95 V C 1.535 177.646 176.094 0.029 0.000 1.012 95 V CA 1.256 63.576 62.300 0.034 0.000 1.180 95 V CB -0.482 31.363 31.823 0.036 0.000 0.887 95 V HN 1.045 nan 8.190 nan 0.000 0.476 96 G N 3.970 112.780 108.800 0.016 0.000 2.179 96 G HA2 -0.210 3.745 3.960 -0.009 0.000 0.260 96 G HA3 -0.210 3.745 3.960 -0.009 0.000 0.260 96 G C -0.082 174.832 174.900 0.024 0.000 0.977 96 G CA 0.031 45.143 45.100 0.020 0.000 0.641 96 G HN 0.710 nan 8.290 nan 0.000 0.533 97 D N 1.050 121.461 120.400 0.018 0.000 2.363 97 D HA 0.401 5.035 4.640 -0.009 0.000 0.263 97 D C 0.071 176.361 176.300 -0.016 0.000 1.258 97 D CA 0.252 54.255 54.000 0.006 0.000 0.907 97 D CB 1.069 41.863 40.800 -0.010 0.000 1.107 97 D HN 0.242 nan 8.370 nan 0.000 0.495 98 D N 2.224 122.617 120.400 -0.012 0.000 2.772 98 D HA 0.235 4.870 4.640 -0.009 0.000 0.273 98 D C -0.922 175.346 176.300 -0.053 0.000 1.233 98 D CA -0.463 53.524 54.000 -0.022 0.000 0.984 98 D CB -0.402 40.400 40.800 0.002 0.000 1.000 98 D HN 0.407 nan 8.370 nan 0.000 0.514 99 c N 0.482 119.025 118.600 -0.095 0.000 3.231 99 c HA 0.685 5.249 4.570 -0.009 0.000 0.343 99 c C -1.097 172.877 174.090 -0.194 0.000 1.349 99 c CA -1.222 55.010 56.329 -0.162 0.000 1.209 99 c CB 1.072 43.438 42.510 -0.240 0.000 1.475 99 c HN 0.340 nan 8.230 nan 0.000 0.460 100 N N 0.065 118.625 118.700 -0.233 0.000 2.710 100 N HA 0.571 5.306 4.740 -0.009 0.000 0.244 100 N C -1.493 173.858 175.510 -0.264 0.000 1.321 100 N CA -0.209 52.714 53.050 -0.212 0.000 0.758 100 N CB 1.187 39.590 38.487 -0.139 0.000 1.284 100 N HN 0.823 nan 8.380 nan 0.000 0.530 101 V N 4.081 123.767 119.914 -0.379 0.000 2.454 101 V HA 0.472 4.587 4.120 -0.009 0.000 0.267 101 V C -2.115 173.805 176.094 -0.291 0.000 0.993 101 V CA -1.157 60.910 62.300 -0.388 0.000 0.836 101 V CB 1.096 32.521 31.823 -0.663 0.000 1.055 101 V HN 0.426 nan 8.190 nan 0.000 0.452 102 P HA 0.383 nan 4.420 nan 0.000 0.276 102 P C 0.210 177.449 177.300 -0.102 0.000 1.261 102 P CA -0.359 62.689 63.100 -0.087 0.000 0.800 102 P CB 1.552 33.221 31.700 -0.051 0.000 1.066 103 I N -2.676 117.842 120.570 -0.086 0.000 2.882 103 I HA 0.312 4.476 4.170 -0.009 0.000 0.286 103 I C -2.345 173.455 176.117 -0.528 0.000 1.139 103 I CA -2.608 58.490 61.300 -0.337 0.000 1.379 103 I CB -0.809 36.969 38.000 -0.370 0.000 1.410 103 I HN 0.087 nan 8.210 nan 0.000 0.594 104 P HA -0.059 nan 4.420 nan 0.000 0.257 104 P C 0.665 177.444 177.300 -0.868 0.000 1.162 104 P CA 0.403 62.954 63.100 -0.914 0.000 0.762 104 P CB 0.590 31.427 31.700 -1.438 0.000 0.753 105 S N 4.113 119.593 115.700 -0.367 0.000 2.400 105 S HA -0.181 4.283 4.470 -0.009 0.000 0.232 105 S C 1.683 176.230 174.600 -0.089 0.000 1.025 105 S CA 0.686 58.841 58.200 -0.074 0.000 0.993 105 S CB -1.149 62.083 63.200 0.053 0.000 0.808 105 S HN 0.690 nan 8.310 nan 0.000 0.478 106 W N 1.755 122.989 121.300 -0.111 0.000 2.421 106 W HA 0.025 4.679 4.660 -0.009 0.000 0.270 106 W C 1.340 177.765 176.519 -0.156 0.000 1.233 106 W CA 0.557 57.843 57.345 -0.099 0.000 1.226 106 W CB -1.056 28.341 29.460 -0.105 0.000 1.121 106 W HN 0.166 nan 8.180 nan 0.000 0.579 107 V N 1.055 120.448 119.914 -0.868 0.000 2.392 107 V HA -0.310 3.805 4.120 -0.009 0.000 0.249 107 V C 2.143 177.936 176.094 -0.501 0.000 1.059 107 V CA 2.411 64.193 62.300 -0.863 0.000 1.051 107 V CB -1.122 29.878 31.823 -1.372 0.000 0.658 107 V HN 0.219 nan 8.190 nan 0.000 0.455 108 W N 0.287 121.505 121.300 -0.136 0.000 2.392 108 W HA -0.089 4.566 4.660 -0.009 0.000 0.279 108 W C 2.222 178.746 176.519 0.008 0.000 1.225 108 W CA 0.646 57.962 57.345 -0.049 0.000 1.233 108 W CB -0.626 28.795 29.460 -0.065 0.000 1.122 108 W HN 0.254 nan 8.180 nan 0.000 0.561 109 N N 0.545 119.361 118.700 0.193 0.000 2.550 109 N HA -0.114 4.621 4.740 -0.009 0.000 0.186 109 N C 1.259 176.842 175.510 0.121 0.000 1.110 109 N CA 0.844 53.986 53.050 0.155 0.000 0.912 109 N CB -0.414 38.161 38.487 0.146 0.000 0.968 109 N HN 0.492 nan 8.380 nan 0.000 0.448 110 Q N -0.109 119.753 119.800 0.104 0.000 2.436 110 Q HA 0.057 4.392 4.340 -0.009 0.000 0.209 110 Q C -0.087 175.945 176.000 0.053 0.000 0.965 110 Q CA 0.863 56.714 55.803 0.080 0.000 0.910 110 Q CB 0.369 29.151 28.738 0.072 0.000 0.980 110 Q HN 0.107 nan 8.270 nan 0.000 0.491 111 K N -0.635 119.803 120.400 0.065 0.000 2.469 111 K HA 0.224 4.538 4.320 -0.009 0.000 0.254 111 K C 0.147 176.786 176.600 0.065 0.000 0.939 111 K CA -0.217 56.092 56.287 0.037 0.000 0.812 111 K CB 2.018 34.511 32.500 -0.012 0.000 1.301 111 K HN -0.107 nan 8.250 nan 0.000 0.433 112 S N -1.076 114.651 115.700 0.045 0.000 2.517 112 S HA -0.003 4.461 4.470 -0.009 0.000 0.214 112 S C 0.483 175.120 174.600 0.062 0.000 0.991 112 S CA -0.012 58.223 58.200 0.059 0.000 0.906 112 S CB -0.149 63.080 63.200 0.049 0.000 0.789 112 S HN 0.666 nan 8.310 nan 0.000 0.513 113 D N 2.066 122.486 120.400 0.034 0.000 2.560 113 D HA 0.278 4.913 4.640 -0.009 0.000 0.277 113 D C -0.586 175.722 176.300 0.013 0.000 1.194 113 D CA -0.616 53.402 54.000 0.029 0.000 1.092 113 D CB -0.079 40.727 40.800 0.011 0.000 1.169 113 D HN 0.117 nan 8.370 nan 0.000 0.607 114 D N -1.904 118.464 120.400 -0.054 0.000 2.895 114 D HA 0.103 4.738 4.640 -0.009 0.000 0.258 114 D C 0.611 176.647 176.300 -0.439 0.000 1.311 114 D CA -0.468 53.365 54.000 -0.279 0.000 0.843 114 D CB -0.169 40.464 40.800 -0.277 0.000 1.055 114 D HN 0.216 nan 8.370 nan 0.000 0.486 115 S N -0.614 114.817 115.700 -0.448 0.000 2.478 115 S HA 0.020 4.485 4.470 -0.009 0.000 0.222 115 S C 1.658 176.011 174.600 -0.412 0.000 1.008 115 S CA -0.108 57.669 58.200 -0.705 0.000 0.928 115 S CB -0.417 61.907 63.200 -1.461 0.000 0.781 115 S HN 0.334 nan 8.310 nan 0.000 0.518 116 L N 0.144 121.240 121.223 -0.212 0.000 2.375 116 L HA 0.261 4.596 4.340 -0.009 0.000 0.215 116 L C 0.968 177.939 176.870 0.167 0.000 1.108 116 L CA 0.085 54.939 54.840 0.023 0.000 0.830 116 L CB -0.404 41.803 42.059 0.247 0.000 0.959 116 L HN 0.519 nan 8.230 nan 0.000 0.457 117 Y N -2.763 117.552 120.300 0.026 0.000 2.753 117 Y HA 0.700 5.244 4.550 -0.009 0.000 0.324 117 Y C -0.518 175.269 175.900 -0.189 0.000 1.147 117 Y CA -2.092 55.978 58.100 -0.049 0.000 1.173 117 Y CB 0.368 38.807 38.460 -0.035 0.000 1.361 117 Y HN -0.302 nan 8.280 nan 0.000 0.545 118 F N 0.424 120.592 119.950 0.363 0.000 2.483 118 F HA 0.647 5.168 4.527 -0.009 0.000 0.329 118 F C -0.148 175.854 175.800 0.337 0.000 1.064 118 F CA -0.964 57.203 58.000 0.279 0.000 0.986 118 F CB 2.027 41.180 39.000 0.254 0.000 1.218 118 F HN 0.419 nan 8.300 nan 0.000 0.484 119 K N 1.043 121.738 120.400 0.491 0.000 2.565 119 K HA 0.446 4.760 4.320 -0.009 0.000 0.249 119 K C -0.601 176.238 176.600 0.398 0.000 0.958 119 K CA -0.512 56.010 56.287 0.392 0.000 0.806 119 K CB 1.542 34.252 32.500 0.350 0.000 1.194 119 K HN 0.801 nan 8.250 nan 0.000 0.434 120 S N 2.223 118.080 115.700 0.262 0.000 2.640 120 S HA 0.122 4.586 4.470 -0.009 0.000 0.262 120 S C 0.931 175.473 174.600 -0.096 0.000 1.232 120 S CA -0.211 58.094 58.200 0.175 0.000 0.988 120 S CB 0.899 64.146 63.200 0.078 0.000 1.034 120 S HN 0.739 nan 8.310 nan 0.000 0.569 121 E N 0.347 120.318 120.200 -0.382 0.000 2.118 121 E HA -0.123 4.222 4.350 -0.009 0.000 0.195 121 E C 1.722 178.056 176.600 -0.442 0.000 0.992 121 E CA 1.695 57.565 56.400 -0.883 0.000 0.804 121 E CB -0.470 28.960 29.700 -0.451 0.000 0.741 121 E HN 0.912 nan 8.360 nan 0.000 0.458 122 T N -3.352 111.083 114.554 -0.199 0.000 3.107 122 T HA 0.320 4.664 4.350 -0.009 0.000 0.249 122 T C 1.373 176.045 174.700 -0.046 0.000 1.096 122 T CA 0.276 62.315 62.100 -0.101 0.000 1.012 122 T CB 0.785 69.621 68.868 -0.055 0.000 0.977 122 T HN 0.282 nan 8.240 nan 0.000 0.527 123 G N 1.136 109.921 108.800 -0.024 0.000 2.175 123 G HA2 -0.240 3.714 3.960 -0.009 0.000 0.244 123 G HA3 -0.240 3.714 3.960 -0.009 0.000 0.244 123 G C 0.158 175.100 174.900 0.070 0.000 0.982 123 G CA -0.075 45.052 45.100 0.046 0.000 0.641 123 G HN 0.661 nan 8.290 nan 0.000 0.527 124 T N 1.542 116.131 114.554 0.058 0.000 2.817 124 T HA 0.425 4.770 4.350 -0.009 0.000 0.295 124 T C 0.701 175.468 174.700 0.112 0.000 0.958 124 T CA 0.056 62.192 62.100 0.060 0.000 1.157 124 T CB 2.043 70.937 68.868 0.043 0.000 0.898 124 T HN 0.384 nan 8.240 nan 0.000 0.536 125 V N 5.040 125.005 119.914 0.085 0.000 2.607 125 V HA 0.345 4.460 4.120 -0.009 0.000 0.289 125 V C 0.481 176.625 176.094 0.084 0.000 1.053 125 V CA -0.708 61.662 62.300 0.117 0.000 0.996 125 V CB 1.356 33.146 31.823 -0.055 0.000 0.995 125 V HN 0.833 nan 8.190 nan 0.000 0.476 126 N N 3.670 122.494 118.700 0.207 0.000 2.352 126 N HA 0.405 5.140 4.740 -0.009 0.000 0.291 126 N C -0.731 174.934 175.510 0.259 0.000 1.040 126 N CA -0.580 52.584 53.050 0.189 0.000 0.864 126 N CB 2.032 40.642 38.487 0.206 0.000 1.440 126 N HN 0.631 nan 8.380 nan 0.000 0.483 127 K N 2.313 122.765 120.400 0.086 0.000 2.972 127 K HA 0.113 4.427 4.320 -0.009 0.000 0.209 127 K C 0.304 177.069 176.600 0.275 0.000 1.128 127 K CA -0.061 56.257 56.287 0.052 0.000 1.024 127 K CB 0.643 32.783 32.500 -0.599 0.000 0.754 127 K HN 0.627 nan 8.250 nan 0.000 0.454 128 E N 0.109 120.488 120.200 0.298 0.000 2.465 128 E HA 0.032 4.376 4.350 -0.009 0.000 0.191 128 E C 0.057 176.876 176.600 0.366 0.000 1.053 128 E CA 0.164 56.726 56.400 0.270 0.000 0.869 128 E CB 0.629 30.423 29.700 0.158 0.000 0.977 128 E HN -0.056 nan 8.360 nan 0.000 0.483 129 T N -0.080 114.765 114.554 0.484 0.000 2.927 129 T HA 0.241 4.586 4.350 -0.009 0.000 0.350 129 T C -1.414 173.580 174.700 0.490 0.000 1.746 129 T CA -0.772 61.616 62.100 0.479 0.000 1.081 129 T CB 0.741 69.872 68.868 0.437 0.000 1.551 129 T HN 0.171 nan 8.240 nan 0.000 0.489 130 L N 3.584 125.010 121.223 0.338 0.000 2.456 130 L HA 0.348 4.682 4.340 -0.009 0.000 0.272 130 L C 1.129 177.973 176.870 -0.044 0.000 1.189 130 L CA -0.651 54.271 54.840 0.137 0.000 0.846 130 L CB 0.323 42.420 42.059 0.064 0.000 1.111 130 L HN 0.599 nan 8.230 nan 0.000 0.475 131 N N 5.403 123.912 118.700 -0.318 0.000 2.468 131 N HA 0.032 4.766 4.740 -0.009 0.000 0.265 131 N C -1.601 173.691 175.510 -0.364 0.000 1.199 131 N CA -1.389 51.273 53.050 -0.647 0.000 0.928 131 N CB 1.173 39.241 38.487 -0.698 0.000 1.059 131 N HN 0.344 nan 8.380 nan 0.000 0.467 132 P HA -0.082 nan 4.420 nan 0.000 0.236 132 P C 1.213 178.366 177.300 -0.245 0.000 1.172 132 P CA 0.656 63.443 63.100 -0.522 0.000 0.759 132 P CB 0.350 31.554 31.700 -0.828 0.000 0.843 133 L N -0.609 120.535 121.223 -0.131 0.000 2.270 133 L HA 0.094 4.429 4.340 -0.009 0.000 0.210 133 L C 1.787 178.736 176.870 0.131 0.000 1.104 133 L CA 0.426 55.310 54.840 0.075 0.000 0.804 133 L CB -0.454 41.764 42.059 0.265 0.000 0.937 133 L HN -0.112 nan 8.230 nan 0.000 0.450 134 A N -0.155 122.642 122.820 -0.038 0.000 3.074 134 A HA 0.136 4.451 4.320 -0.009 0.000 0.251 134 A C 1.719 179.254 177.584 -0.081 0.000 1.695 134 A CA 0.329 52.308 52.037 -0.096 0.000 1.343 134 A CB -0.516 18.375 19.000 -0.182 0.000 1.078 134 A HN 0.414 nan 8.150 nan 0.000 0.644 135 S N 0.724 116.409 115.700 -0.025 0.000 2.419 135 S HA -0.217 4.247 4.470 -0.009 0.000 0.235 135 S C 1.445 176.017 174.600 -0.046 0.000 1.019 135 S CA 1.269 59.445 58.200 -0.040 0.000 0.982 135 S CB -0.319 62.884 63.200 0.005 0.000 0.789 135 S HN 0.760 nan 8.310 nan 0.000 0.490 136 D N 1.987 122.375 120.400 -0.020 0.000 2.117 136 D HA -0.077 4.557 4.640 -0.009 0.000 0.198 136 D C 1.927 178.209 176.300 -0.030 0.000 0.982 136 D CA 1.028 55.019 54.000 -0.014 0.000 0.828 136 D CB -0.836 39.969 40.800 0.008 0.000 0.967 136 D HN 0.439 nan 8.370 nan 0.000 0.464 137 V N 0.706 120.591 119.914 -0.049 0.000 2.591 137 V HA -0.088 4.027 4.120 -0.009 0.000 0.249 137 V C 2.662 178.719 176.094 -0.062 0.000 1.053 137 V CA 0.744 63.024 62.300 -0.034 0.000 1.068 137 V CB -0.340 31.456 31.823 -0.046 0.000 0.689 137 V HN 0.144 nan 8.190 nan 0.000 0.462 138 I N -0.248 120.221 120.570 -0.168 0.000 2.286 138 I HA -0.185 3.979 4.170 -0.009 0.000 0.245 138 I C 2.730 178.665 176.117 -0.304 0.000 1.104 138 I CA 1.396 62.456 61.300 -0.399 0.000 1.397 138 I CB -0.335 37.339 38.000 -0.544 0.000 1.072 138 I HN 0.189 nan 8.210 nan 0.000 0.417 139 R N 1.443 121.840 120.500 -0.171 0.000 2.083 139 R HA -0.257 4.078 4.340 -0.009 0.000 0.237 139 R C 2.360 178.625 176.300 -0.058 0.000 1.137 139 R CA 1.994 58.032 56.100 -0.104 0.000 0.951 139 R CB -0.189 30.078 30.300 -0.055 0.000 0.851 139 R HN 0.216 nan 8.270 nan 0.000 0.434 140 K N 0.131 120.519 120.400 -0.019 0.000 1.973 140 K HA -0.178 4.136 4.320 -0.009 0.000 0.212 140 K C 1.870 178.508 176.600 0.062 0.000 1.047 140 K CA 1.825 58.131 56.287 0.030 0.000 0.937 140 K CB -0.076 32.458 32.500 0.058 0.000 0.721 140 K HN 0.139 nan 8.250 nan 0.000 0.440 141 E N 0.009 120.272 120.200 0.105 0.000 2.077 141 E HA -0.194 4.151 4.350 -0.009 0.000 0.193 141 E C 2.188 178.791 176.600 0.005 0.000 0.989 141 E CA 1.325 57.828 56.400 0.172 0.000 0.800 141 E CB -0.461 29.428 29.700 0.315 0.000 0.746 141 E HN 0.441 nan 8.360 nan 0.000 0.452 142 Y N 0.816 120.872 120.300 -0.408 0.000 2.263 142 Y HA -0.006 4.538 4.550 -0.009 0.000 0.292 142 Y C 2.590 178.010 175.900 -0.799 0.000 1.130 142 Y CA 0.839 58.476 58.100 -0.772 0.000 1.179 142 Y CB -1.127 36.873 38.460 -0.766 0.000 0.998 142 Y HN 0.088 nan 8.280 nan 0.000 0.532 143 G N -0.189 108.464 108.800 -0.244 0.000 2.446 143 G HA2 -0.246 3.708 3.960 -0.009 0.000 0.217 143 G HA3 -0.246 3.708 3.960 -0.009 0.000 0.217 143 G C 1.535 176.389 174.900 -0.077 0.000 1.168 143 G CA 1.045 46.054 45.100 -0.152 0.000 0.771 143 G HN 0.417 nan 8.290 nan 0.000 0.551 144 E N -0.359 119.845 120.200 0.008 0.000 2.077 144 E HA -0.088 4.256 4.350 -0.009 0.000 0.193 144 E C 2.375 179.064 176.600 0.147 0.000 0.989 144 E CA 0.724 57.206 56.400 0.137 0.000 0.800 144 E CB -0.154 29.709 29.700 0.272 0.000 0.746 144 E HN 0.341 nan 8.360 nan 0.000 0.452 145 L N 0.249 121.519 121.223 0.079 0.000 2.027 145 L HA -0.156 4.178 4.340 -0.009 0.000 0.206 145 L C 1.980 178.932 176.870 0.137 0.000 1.074 145 L CA 1.663 56.562 54.840 0.098 0.000 0.745 145 L CB -0.600 41.389 42.059 -0.116 0.000 0.898 145 L HN 0.208 nan 8.230 nan 0.000 0.433 146 Y N -0.741 119.521 120.300 -0.064 0.000 2.128 146 Y HA -0.301 4.244 4.550 -0.008 0.000 0.284 146 Y C 2.488 178.287 175.900 -0.169 0.000 1.154 146 Y CA 1.143 59.180 58.100 -0.106 0.000 1.149 146 Y CB -0.757 37.522 38.460 -0.301 0.000 0.976 146 Y HN 0.217 nan 8.280 nan 0.000 0.505 147 T N 0.167 114.713 114.554 -0.013 0.000 2.684 147 T HA -0.242 4.103 4.350 -0.009 0.000 0.267 147 T C 2.103 176.760 174.700 -0.072 0.000 1.036 147 T CA 1.323 63.382 62.100 -0.069 0.000 1.148 147 T CB -0.561 68.280 68.868 -0.045 0.000 0.863 147 T HN 0.477 nan 8.240 nan 0.000 0.436 148 A N 0.677 123.411 122.820 -0.144 0.000 1.933 148 A HA -0.013 4.302 4.320 -0.009 0.000 0.218 148 A C 2.024 179.293 177.584 -0.524 0.000 1.175 148 A CA 1.285 53.111 52.037 -0.352 0.000 0.628 148 A CB -0.927 17.576 19.000 -0.828 0.000 0.814 148 A HN 0.506 nan 8.150 nan 0.000 0.444 149 F N 0.872 120.526 119.950 -0.495 0.000 2.146 149 F HA -0.026 4.495 4.527 -0.010 0.000 0.298 149 F C 2.514 178.190 175.800 -0.206 0.000 1.096 149 F CA 1.166 58.825 58.000 -0.568 0.000 1.275 149 F CB -0.336 38.610 39.000 -0.090 0.000 1.008 149 F HN 0.252 nan 8.300 nan 0.000 0.480 150 A N 0.531 123.531 122.820 0.301 0.000 1.883 150 A HA -0.130 4.184 4.320 -0.009 0.000 0.217 150 A C 2.410 180.074 177.584 0.133 0.000 1.186 150 A CA 1.958 54.301 52.037 0.509 0.000 0.624 150 A CB -1.625 17.701 19.000 0.544 0.000 0.822 150 A HN 0.505 nan 8.150 nan 0.000 0.444 151 A N -0.311 122.474 122.820 -0.058 0.000 1.933 151 A HA 0.148 4.462 4.320 -0.009 0.000 0.218 151 A C 2.472 179.952 177.584 -0.174 0.000 1.175 151 A CA 2.145 54.112 52.037 -0.116 0.000 0.628 151 A CB -0.928 18.001 19.000 -0.117 0.000 0.814 151 A HN 1.089 nan 8.150 nan 0.000 0.444 152 A N -1.397 121.215 122.820 -0.347 0.000 1.968 152 A HA 0.014 4.328 4.320 -0.009 0.000 0.217 152 A C 1.948 179.378 177.584 -0.255 0.000 1.169 152 A CA 1.673 53.482 52.037 -0.381 0.000 0.638 152 A CB -0.308 18.207 19.000 -0.807 0.000 0.812 152 A HN 0.405 nan 8.150 nan 0.000 0.446 153 M N -0.567 118.864 119.600 -0.282 0.000 2.495 153 M HA 0.120 4.595 4.480 -0.009 0.000 0.237 153 M C 1.414 177.851 176.300 0.229 0.000 1.131 153 M CA 0.410 55.683 55.300 -0.046 0.000 1.032 153 M CB -0.802 31.581 32.600 -0.362 0.000 1.513 153 M HN 0.381 nan 8.290 nan 0.000 0.488 154 K N 0.919 121.367 120.400 0.079 0.000 2.052 154 K HA -0.197 4.117 4.320 -0.009 0.000 0.215 154 K C -0.721 175.793 176.600 -0.142 0.000 1.053 154 K CA 1.716 57.942 56.287 -0.103 0.000 0.934 154 K CB -1.337 31.057 32.500 -0.176 0.000 0.717 154 K HN 0.217 nan 8.250 nan 0.000 0.450 155 P HA -0.140 nan 4.420 nan 0.000 0.225 155 P C 0.172 177.129 177.300 -0.571 0.000 1.148 155 P CA 1.248 64.064 63.100 -0.473 0.000 0.779 155 P CB 0.044 31.326 31.700 -0.696 0.000 0.780 156 Y N -0.859 119.443 120.300 0.002 0.000 2.607 156 Y HA 0.160 4.704 4.550 -0.010 0.000 0.266 156 Y C 1.968 177.927 175.900 0.099 0.000 1.178 156 Y CA -0.481 57.630 58.100 0.019 0.000 1.226 156 Y CB -0.403 38.045 38.460 -0.020 0.000 1.144 156 Y HN -0.025 nan 8.280 nan 0.000 0.528 157 K N 0.586 121.128 120.400 0.236 0.000 2.218 157 K HA -0.225 4.090 4.320 -0.009 0.000 0.205 157 K C 1.137 177.860 176.600 0.204 0.000 1.046 157 K CA 2.115 58.612 56.287 0.350 0.000 0.933 157 K CB -0.336 32.218 32.500 0.090 0.000 0.728 157 K HN 0.371 nan 8.250 nan 0.000 0.454 158 D N 1.508 121.973 120.400 0.108 0.000 2.348 158 D HA -0.110 4.524 4.640 -0.009 0.000 0.216 158 D C 1.711 178.052 176.300 0.068 0.000 0.970 158 D CA 1.270 55.313 54.000 0.071 0.000 0.889 158 D CB 0.170 40.989 40.800 0.032 0.000 0.912 158 D HN 0.362 nan 8.370 nan 0.000 0.524 159 V N -2.108 117.859 119.914 0.089 0.000 3.578 159 V HA 0.322 4.437 4.120 -0.009 0.000 0.290 159 V C 0.896 177.006 176.094 0.028 0.000 1.376 159 V CA -0.518 61.811 62.300 0.049 0.000 1.083 159 V CB -0.417 31.442 31.823 0.061 0.000 0.911 159 V HN -0.059 nan 8.190 nan 0.000 0.433 160 I N 1.759 122.355 120.570 0.043 0.000 2.312 160 I HA 0.552 4.716 4.170 -0.009 0.000 0.291 160 I C 1.349 177.454 176.117 -0.021 0.000 1.031 160 I CA 0.211 61.495 61.300 -0.027 0.000 1.293 160 I CB 1.591 39.515 38.000 -0.126 0.000 1.403 160 I HN 0.193 nan 8.210 nan 0.000 0.484 161 A N 6.456 129.250 122.820 -0.043 0.000 2.044 161 A HA 0.171 4.486 4.320 -0.009 0.000 0.213 161 A C 0.812 178.348 177.584 -0.080 0.000 1.169 161 A CA 0.737 52.778 52.037 0.006 0.000 0.724 161 A CB 0.317 19.389 19.000 0.120 0.000 0.840 161 A HN 0.708 nan 8.150 nan 0.000 0.463 162 K N -0.838 119.445 120.400 -0.195 0.000 2.607 162 K HA 0.503 4.818 4.320 -0.009 0.000 0.287 162 K C -2.244 174.123 176.600 -0.389 0.000 0.996 162 K CA -0.720 55.392 56.287 -0.292 0.000 0.876 162 K CB 1.060 33.336 32.500 -0.374 0.000 1.496 162 K HN 0.014 nan 8.250 nan 0.000 0.415 163 I N 2.709 123.008 120.570 -0.451 0.000 2.498 163 I HA 0.325 4.490 4.170 -0.009 0.000 0.290 163 I C -1.041 174.815 176.117 -0.435 0.000 1.032 163 I CA -0.580 60.422 61.300 -0.497 0.000 1.073 163 I CB 1.509 39.096 38.000 -0.688 0.000 1.251 163 I HN 0.638 nan 8.210 nan 0.000 0.426 164 Y N 5.465 125.576 120.300 -0.314 0.000 2.387 164 Y HA 0.586 5.132 4.550 -0.008 0.000 0.336 164 Y C -0.051 175.702 175.900 -0.246 0.000 1.067 164 Y CA -0.774 57.189 58.100 -0.227 0.000 1.114 164 Y CB 2.195 40.540 38.460 -0.192 0.000 1.208 164 Y HN 0.312 nan 8.280 nan 0.000 0.458 165 L N 2.054 123.309 121.223 0.054 0.000 2.342 165 L HA 0.459 4.793 4.340 -0.009 0.000 0.271 165 L C -0.195 176.712 176.870 0.061 0.000 1.008 165 L CA -0.964 53.864 54.840 -0.019 0.000 0.818 165 L CB 1.946 43.981 42.059 -0.040 0.000 1.296 165 L HN 0.463 nan 8.230 nan 0.000 0.427 166 S N 0.611 116.362 115.700 0.085 0.000 2.399 166 S HA 0.315 4.780 4.470 -0.009 0.000 0.301 166 S C 0.968 175.701 174.600 0.221 0.000 1.093 166 S CA -0.344 57.954 58.200 0.164 0.000 1.077 166 S CB 0.754 64.141 63.200 0.311 0.000 0.980 166 S HN 0.815 nan 8.310 nan 0.000 0.494 167 G N 3.022 111.933 108.800 0.186 0.000 2.920 167 G HA2 0.512 4.466 3.960 -0.009 0.000 0.208 167 G HA3 0.512 4.466 3.960 -0.009 0.000 0.208 167 G C 0.693 175.763 174.900 0.282 0.000 1.159 167 G CA 0.221 45.462 45.100 0.236 0.000 0.784 167 G HN 1.150 nan 8.290 nan 0.000 0.535 168 G N -0.887 108.038 108.800 0.208 0.000 2.399 168 G HA2 0.352 4.307 3.960 -0.009 0.000 0.256 168 G HA3 0.352 4.307 3.960 -0.009 0.000 0.256 168 G C -3.295 171.638 174.900 0.055 0.000 1.236 168 G CA -0.808 44.384 45.100 0.152 0.000 0.914 168 G HN -0.062 nan 8.290 nan 0.000 0.482 169 P HA 0.389 nan 4.420 nan 0.000 0.264 169 P C 0.536 177.715 177.300 -0.203 0.000 1.193 169 P CA 1.922 64.977 63.100 -0.075 0.000 0.763 169 P CB 1.166 32.777 31.700 -0.148 0.000 0.810 170 A N 4.026 126.643 122.820 -0.338 0.000 2.860 170 A HA -0.063 4.251 4.320 -0.009 0.000 0.267 170 A C 1.474 178.719 177.584 -0.565 0.000 1.421 170 A CA 1.162 52.969 52.037 -0.383 0.000 0.831 170 A CB -2.430 16.509 19.000 -0.102 0.000 1.041 170 A HN 1.038 nan 8.150 nan 0.000 0.623 171 G N -2.164 106.058 108.800 -0.962 0.000 2.153 171 G HA2 -0.186 3.769 3.960 -0.009 0.000 0.252 171 G HA3 -0.186 3.769 3.960 -0.009 0.000 0.252 171 G C -0.231 174.604 174.900 -0.109 0.000 0.994 171 G CA 1.152 46.024 45.100 -0.381 0.000 0.698 171 G HN 1.331 nan 8.290 nan 0.000 0.521 172 E N -1.049 119.112 120.200 -0.065 0.000 2.212 172 E HA 0.583 4.928 4.350 -0.009 0.000 0.268 172 E C -0.079 176.600 176.600 0.131 0.000 0.902 172 E CA -1.132 55.311 56.400 0.072 0.000 0.779 172 E CB 1.954 31.714 29.700 0.101 0.000 1.172 172 E HN 0.181 nan 8.360 nan 0.000 0.409 173 L N 4.971 126.336 121.223 0.236 0.000 2.536 173 L HA 0.201 4.536 4.340 -0.009 0.000 0.282 173 L C -0.389 176.614 176.870 0.221 0.000 1.147 173 L CA 0.906 55.894 54.840 0.248 0.000 0.936 173 L CB -0.860 41.414 42.059 0.358 0.000 1.279 173 L HN 0.605 nan 8.230 nan 0.000 0.461 174 R N 2.262 122.759 120.500 -0.005 0.000 2.829 174 R HA 0.294 4.629 4.340 -0.009 0.000 0.284 174 R C -1.596 174.518 176.300 -0.311 0.000 1.006 174 R CA -1.035 54.949 56.100 -0.193 0.000 0.844 174 R CB 0.289 30.498 30.300 -0.151 0.000 1.309 174 R HN 0.168 nan 8.270 nan 0.000 0.494 175 Y N 0.685 120.799 120.300 -0.310 0.000 2.335 175 Y HA 0.368 4.913 4.550 -0.009 0.000 0.323 175 Y C -1.551 174.091 175.900 -0.430 0.000 1.224 175 Y CA -2.081 55.785 58.100 -0.389 0.000 1.241 175 Y CB 1.251 39.546 38.460 -0.274 0.000 1.235 175 Y HN 0.393 nan 8.280 nan 0.000 0.492 176 P HA 0.027 nan 4.420 nan 0.000 0.220 176 P C 0.074 177.234 177.300 -0.234 0.000 1.806 176 P CA 0.104 62.964 63.100 -0.400 0.000 0.976 176 P CB -0.137 31.288 31.700 -0.459 0.000 1.952 177 S N -0.173 115.450 115.700 -0.129 0.000 2.522 177 S HA -0.079 4.386 4.470 -0.009 0.000 0.227 177 S C 0.628 175.321 174.600 0.155 0.000 0.986 177 S CA -0.027 58.185 58.200 0.019 0.000 0.929 177 S CB -1.046 62.173 63.200 0.033 0.000 0.769 177 S HN 0.430 nan 8.310 nan 0.000 0.529 178 Y N 1.496 121.832 120.300 0.061 0.000 2.646 178 Y HA 0.738 5.282 4.550 -0.010 0.000 0.334 178 Y C -0.377 175.588 175.900 0.109 0.000 1.004 178 Y CA -1.002 57.188 58.100 0.150 0.000 1.301 178 Y CB 0.322 39.000 38.460 0.363 0.000 1.093 178 Y HN 0.114 nan 8.280 nan 0.000 0.530 179 T N -2.164 112.468 114.554 0.131 0.000 2.903 179 T HA 0.295 4.640 4.350 -0.009 0.000 0.299 179 T C 0.853 175.592 174.700 0.066 0.000 1.093 179 T CA -0.224 61.911 62.100 0.059 0.000 1.002 179 T CB 1.641 70.505 68.868 -0.007 0.000 1.127 179 T HN 0.586 nan 8.240 nan 0.000 0.488 180 T N -0.063 114.518 114.554 0.045 0.000 2.788 180 T HA -0.121 4.223 4.350 -0.009 0.000 0.268 180 T C 2.022 176.734 174.700 0.019 0.000 1.044 180 T CA 1.501 63.620 62.100 0.031 0.000 1.139 180 T CB -0.975 67.903 68.868 0.017 0.000 0.867 180 T HN 0.595 nan 8.240 nan 0.000 0.454 181 S N 1.817 117.524 115.700 0.012 0.000 2.399 181 S HA -0.078 4.386 4.470 -0.009 0.000 0.231 181 S C 1.644 176.250 174.600 0.011 0.000 1.022 181 S CA 1.243 59.446 58.200 0.005 0.000 0.983 181 S CB -0.426 62.772 63.200 -0.003 0.000 0.803 181 S HN 0.551 nan 8.310 nan 0.000 0.480 182 D N 0.514 120.926 120.400 0.021 0.000 2.349 182 D HA 0.219 4.854 4.640 -0.009 0.000 0.214 182 D C 1.130 177.448 176.300 0.030 0.000 1.063 182 D CA 0.396 54.411 54.000 0.025 0.000 0.847 182 D CB -0.349 40.471 40.800 0.033 0.000 0.933 182 D HN 0.357 nan 8.370 nan 0.000 0.513 183 G N 0.889 109.707 108.800 0.031 0.000 2.305 183 G HA2 -0.280 3.675 3.960 -0.009 0.000 0.287 183 G HA3 -0.280 3.675 3.960 -0.009 0.000 0.287 183 G C 0.725 175.656 174.900 0.051 0.000 1.036 183 G CA 0.948 46.067 45.100 0.032 0.000 0.887 183 G HN 0.459 nan 8.290 nan 0.000 0.505 184 T N -2.679 111.925 114.554 0.083 0.000 3.288 184 T HA 0.585 4.929 4.350 -0.009 0.000 0.293 184 T C 1.222 176.051 174.700 0.214 0.000 1.008 184 T CA 0.623 62.804 62.100 0.135 0.000 0.929 184 T CB 1.003 69.956 68.868 0.142 0.000 1.152 184 T HN 1.273 nan 8.240 nan 0.000 0.517 185 G N 0.794 109.680 108.800 0.143 0.000 2.667 185 G HA2 0.382 4.336 3.960 -0.009 0.000 0.250 185 G HA3 0.382 4.336 3.960 -0.009 0.000 0.250 185 G C -0.499 174.402 174.900 0.002 0.000 1.212 185 G CA -0.828 44.352 45.100 0.134 0.000 0.874 185 G HN 0.523 nan 8.290 nan 0.000 0.561 186 Y N 1.571 121.617 120.300 -0.423 0.000 2.702 186 Y HA 0.241 4.786 4.550 -0.009 0.000 0.336 186 Y C -1.011 174.568 175.900 -0.534 0.000 1.235 186 Y CA -0.889 56.591 58.100 -1.034 0.000 1.492 186 Y CB 1.171 38.813 38.460 -1.363 0.000 1.308 186 Y HN 0.321 nan 8.280 nan 0.000 0.589 187 P HA 0.164 nan 4.420 nan 0.000 0.266 187 P C -0.635 176.471 177.300 -0.322 0.000 1.561 187 P CA -0.089 62.172 63.100 -1.398 0.000 1.089 187 P CB 0.204 31.079 31.700 -1.376 0.000 1.534 188 S N 1.374 116.997 115.700 -0.128 0.000 2.572 188 S HA 0.120 4.585 4.470 -0.009 0.000 0.267 188 S C 0.817 175.556 174.600 0.232 0.000 1.361 188 S CA -0.395 57.843 58.200 0.064 0.000 1.009 188 S CB 0.343 63.575 63.200 0.052 0.000 0.888 188 S HN 0.366 nan 8.310 nan 0.000 0.553 189 R N 0.346 120.920 120.500 0.123 0.000 2.641 189 R HA 0.565 4.899 4.340 -0.009 0.000 0.269 189 R C 0.492 176.832 176.300 0.067 0.000 1.074 189 R CA -0.523 55.619 56.100 0.070 0.000 1.133 189 R CB 0.005 30.317 30.300 0.020 0.000 1.029 189 R HN 0.573 nan 8.270 nan 0.000 0.488 190 G N 1.088 109.881 108.800 -0.013 0.000 2.528 190 G HA2 0.316 4.270 3.960 -0.009 0.000 0.289 190 G HA3 0.316 4.270 3.960 -0.009 0.000 0.289 190 G C -0.934 173.897 174.900 -0.114 0.000 1.192 190 G CA -0.995 44.096 45.100 -0.015 0.000 0.921 190 G HN 0.504 nan 8.290 nan 0.000 0.512 191 K N -0.357 119.994 120.400 -0.081 0.000 2.156 191 K HA 0.363 4.678 4.320 -0.009 0.000 0.254 191 K C -0.956 175.573 176.600 -0.118 0.000 0.950 191 K CA -0.466 55.774 56.287 -0.078 0.000 0.849 191 K CB 1.862 34.364 32.500 0.003 0.000 1.100 191 K HN 0.348 nan 8.250 nan 0.000 0.434 192 F N 1.765 121.746 119.950 0.052 0.000 2.529 192 F HA 0.008 4.529 4.527 -0.009 0.000 0.365 192 F C 1.292 177.252 175.800 0.267 0.000 1.102 192 F CA 0.203 58.244 58.000 0.068 0.000 1.271 192 F CB 0.703 39.694 39.000 -0.014 0.000 1.120 192 F HN 0.218 nan 8.300 nan 0.000 0.579 193 Q N 3.595 123.640 119.800 0.410 0.000 2.553 193 Q HA 0.377 4.712 4.340 -0.009 0.000 0.395 193 Q C -0.193 176.107 176.000 0.500 0.000 0.971 193 Q CA -0.117 55.946 55.803 0.435 0.000 1.090 193 Q CB 1.163 30.089 28.738 0.312 0.000 1.328 193 Q HN 0.665 nan 8.270 nan 0.000 0.413 194 A N 0.124 123.192 122.820 0.413 0.000 2.959 194 A HA 0.363 4.677 4.320 -0.009 0.000 0.280 194 A C -0.378 177.123 177.584 -0.139 0.000 0.953 194 A CA -0.286 51.892 52.037 0.236 0.000 1.047 194 A CB 0.030 19.244 19.000 0.357 0.000 1.147 194 A HN 0.283 nan 8.150 nan 0.000 0.489 195 Y N 0.518 120.955 120.300 0.228 0.000 2.507 195 Y HA 0.128 4.672 4.550 -0.009 0.000 0.254 195 Y C 1.520 177.506 175.900 0.144 0.000 1.171 195 Y CA 0.339 58.532 58.100 0.156 0.000 1.238 195 Y CB 0.254 38.786 38.460 0.121 0.000 1.148 195 Y HN 0.428 nan 8.280 nan 0.000 0.525 196 T N -2.393 112.289 114.554 0.215 0.000 2.828 196 T HA 0.053 4.397 4.350 -0.009 0.000 0.290 196 T C 1.178 175.962 174.700 0.139 0.000 1.019 196 T CA -0.553 61.632 62.100 0.141 0.000 1.031 196 T CB 1.208 70.087 68.868 0.018 0.000 1.001 196 T HN 0.085 nan 8.240 nan 0.000 0.531 197 E N 0.070 120.348 120.200 0.130 0.000 2.153 197 E HA -0.056 4.289 4.350 -0.009 0.000 0.194 197 E C 1.482 178.171 176.600 0.148 0.000 0.988 197 E CA 0.755 57.230 56.400 0.126 0.000 0.811 197 E CB -0.417 29.354 29.700 0.119 0.000 0.746 197 E HN 0.765 nan 8.360 nan 0.000 0.466 198 F N 1.583 121.546 119.950 0.021 0.000 2.146 198 F HA -0.120 4.401 4.527 -0.009 0.000 0.298 198 F C 2.261 178.120 175.800 0.098 0.000 1.096 198 F CA 1.281 59.303 58.000 0.037 0.000 1.275 198 F CB -0.293 38.701 39.000 -0.010 0.000 1.008 198 F HN -0.010 nan 8.300 nan 0.000 0.480 199 A N 0.283 123.217 122.820 0.190 0.000 1.902 199 A HA -0.215 4.099 4.320 -0.009 0.000 0.217 199 A C 2.243 179.890 177.584 0.104 0.000 1.181 199 A CA 1.890 54.071 52.037 0.240 0.000 0.623 199 A CB -0.672 18.515 19.000 0.310 0.000 0.818 199 A HN 0.441 nan 8.150 nan 0.000 0.443 200 K N 0.000 120.422 120.400 0.036 0.000 2.063 200 K HA -0.102 4.213 4.320 -0.009 0.000 0.208 200 K C 2.334 178.908 176.600 -0.045 0.000 1.048 200 K CA 1.597 57.880 56.287 -0.007 0.000 0.928 200 K CB -0.254 32.258 32.500 0.020 0.000 0.713 200 K HN 0.423 nan 8.250 nan 0.000 0.442 201 S N 1.028 116.684 115.700 -0.074 0.000 2.368 201 S HA -0.084 4.381 4.470 -0.009 0.000 0.225 201 S C 1.744 176.259 174.600 -0.142 0.000 1.030 201 S CA 1.066 59.198 58.200 -0.114 0.000 0.999 201 S CB -0.034 63.078 63.200 -0.147 0.000 0.844 201 S HN 0.204 nan 8.310 nan 0.000 0.459 202 K N 0.674 120.974 120.400 -0.166 0.000 2.097 202 K HA 0.004 4.318 4.320 -0.009 0.000 0.206 202 K C 1.778 178.362 176.600 -0.027 0.000 1.049 202 K CA 0.893 57.179 56.287 -0.001 0.000 0.933 202 K CB -0.562 32.051 32.500 0.188 0.000 0.717 202 K HN 0.409 nan 8.250 nan 0.000 0.442 203 F N 2.213 121.768 119.950 -0.659 0.000 2.128 203 F HA -0.081 4.441 4.527 -0.009 0.000 0.295 203 F C 2.533 178.132 175.800 -0.335 0.000 1.100 203 F CA 1.170 58.467 58.000 -1.172 0.000 1.260 203 F CB -0.359 37.819 39.000 -1.369 0.000 1.009 203 F HN -0.098 nan 8.300 nan 0.000 0.476 204 R N 0.404 120.705 120.500 -0.333 0.000 2.094 204 R HA -0.185 4.150 4.340 -0.009 0.000 0.239 204 R C 2.342 178.530 176.300 -0.186 0.000 1.137 204 R CA 2.345 58.279 56.100 -0.277 0.000 0.943 204 R CB -0.660 29.559 30.300 -0.135 0.000 0.850 204 R HN 0.415 nan 8.270 nan 0.000 0.433 205 L N -1.078 120.088 121.223 -0.095 0.000 2.083 205 L HA -0.192 4.143 4.340 -0.009 0.000 0.209 205 L C 2.338 179.216 176.870 0.013 0.000 1.083 205 L CA 1.320 56.137 54.840 -0.037 0.000 0.752 205 L CB -0.576 41.480 42.059 -0.006 0.000 0.899 205 L HN 0.421 nan 8.230 nan 0.000 0.433 206 W N 0.398 121.617 121.300 -0.134 0.000 2.355 206 W HA -0.175 4.480 4.660 -0.009 0.000 0.309 206 W C 2.270 178.720 176.519 -0.115 0.000 1.206 206 W CA 1.556 58.872 57.345 -0.048 0.000 1.284 206 W CB -0.166 29.337 29.460 0.071 0.000 1.145 206 W HN -0.215 nan 8.180 nan 0.000 0.502 207 V N 1.347 121.292 119.914 0.053 0.000 2.295 207 V HA -0.330 3.785 4.120 -0.009 0.000 0.246 207 V C 2.323 178.309 176.094 -0.180 0.000 1.049 207 V CA 2.082 64.328 62.300 -0.090 0.000 1.024 207 V CB -1.113 30.573 31.823 -0.228 0.000 0.648 207 V HN 0.241 nan 8.190 nan 0.000 0.447 208 L N 0.025 121.146 121.223 -0.170 0.000 2.131 208 L HA -0.183 4.151 4.340 -0.009 0.000 0.210 208 L C 2.349 179.122 176.870 -0.162 0.000 1.092 208 L CA 1.560 56.314 54.840 -0.144 0.000 0.759 208 L CB -0.758 41.229 42.059 -0.120 0.000 0.903 208 L HN 0.460 nan 8.230 nan 0.000 0.435 209 N N 0.265 118.839 118.700 -0.210 0.000 2.135 209 N HA -0.203 4.532 4.740 -0.009 0.000 0.186 209 N C 1.879 177.185 175.510 -0.340 0.000 1.027 209 N CA 1.047 53.958 53.050 -0.233 0.000 0.849 209 N CB 0.031 38.385 38.487 -0.222 0.000 1.002 209 N HN 0.286 nan 8.380 nan 0.000 0.425 210 K N 0.296 120.363 120.400 -0.555 0.000 2.147 210 K HA -0.147 4.168 4.320 -0.009 0.000 0.205 210 K C 0.837 176.992 176.600 -0.742 0.000 1.049 210 K CA 1.384 57.219 56.287 -0.753 0.000 0.936 210 K CB 0.031 31.838 32.500 -1.156 0.000 0.722 210 K HN 0.292 nan 8.250 nan 0.000 0.446 211 Y N -1.550 118.582 120.300 -0.280 0.000 2.430 211 Y HA 0.216 4.761 4.550 -0.009 0.000 0.248 211 Y C 1.590 177.380 175.900 -0.183 0.000 1.108 211 Y CA 0.032 57.995 58.100 -0.229 0.000 1.264 211 Y CB 1.351 39.637 38.460 -0.289 0.000 1.172 211 Y HN 0.305 nan 8.280 nan 0.000 0.520 212 G N 0.720 109.478 108.800 -0.069 0.000 2.990 212 G HA2 -0.358 3.597 3.960 -0.009 0.000 0.225 212 G HA3 -0.358 3.597 3.960 -0.009 0.000 0.225 212 G C 0.456 175.320 174.900 -0.060 0.000 1.304 212 G CA 0.554 45.615 45.100 -0.065 0.000 0.816 212 G HN 0.606 nan 8.290 nan 0.000 0.528 213 S N -0.877 114.790 115.700 -0.055 0.000 2.627 213 S HA 0.702 5.166 4.470 -0.009 0.000 0.283 213 S C 0.653 175.184 174.600 -0.116 0.000 1.127 213 S CA 0.247 58.401 58.200 -0.076 0.000 0.863 213 S CB 1.920 65.082 63.200 -0.063 0.000 1.121 213 S HN 1.307 nan 8.310 nan 0.000 0.479 214 L N 1.822 122.972 121.223 -0.121 0.000 2.131 214 L HA 0.042 4.376 4.340 -0.009 0.000 0.210 214 L C 1.605 178.379 176.870 -0.159 0.000 1.092 214 L CA 1.993 56.741 54.840 -0.153 0.000 0.759 214 L CB -1.527 40.467 42.059 -0.109 0.000 0.903 214 L HN 0.811 nan 8.230 nan 0.000 0.435 215 N N -0.566 118.064 118.700 -0.117 0.000 2.142 215 N HA -0.143 4.592 4.740 -0.009 0.000 0.186 215 N C 1.642 177.073 175.510 -0.132 0.000 1.023 215 N CA 1.318 54.307 53.050 -0.102 0.000 0.852 215 N CB -0.188 38.258 38.487 -0.068 0.000 0.998 215 N HN 0.325 nan 8.380 nan 0.000 0.424 216 E N 0.180 120.297 120.200 -0.138 0.000 2.208 216 E HA -0.000 4.344 4.350 -0.009 0.000 0.193 216 E C 1.952 178.314 176.600 -0.398 0.000 0.988 216 E CA 0.299 56.608 56.400 -0.152 0.000 0.828 216 E CB -0.119 29.562 29.700 -0.031 0.000 0.763 216 E HN 0.186 nan 8.360 nan 0.000 0.478 217 V N 2.125 121.736 119.914 -0.506 0.000 2.323 217 V HA -0.191 3.924 4.120 -0.009 0.000 0.244 217 V C 1.918 177.602 176.094 -0.683 0.000 1.041 217 V CA 1.418 63.148 62.300 -0.949 0.000 1.025 217 V CB -0.437 30.900 31.823 -0.810 0.000 0.656 217 V HN 0.193 nan 8.190 nan 0.000 0.451 218 N N -0.026 118.471 118.700 -0.338 0.000 2.381 218 N HA -0.137 4.598 4.740 -0.009 0.000 0.182 218 N C 1.787 177.240 175.510 -0.096 0.000 1.025 218 N CA 1.077 54.044 53.050 -0.138 0.000 0.888 218 N CB -0.143 38.292 38.487 -0.086 0.000 0.965 218 N HN 0.512 nan 8.380 nan 0.000 0.438 219 K N 0.455 120.762 120.400 -0.155 0.000 2.044 219 K HA 0.111 4.425 4.320 -0.009 0.000 0.204 219 K C 1.829 178.389 176.600 -0.067 0.000 1.049 219 K CA 0.879 57.113 56.287 -0.089 0.000 0.945 219 K CB 0.038 32.488 32.500 -0.083 0.000 0.724 219 K HN 0.035 nan 8.250 nan 0.000 0.440 220 A N -0.047 122.666 122.820 -0.177 0.000 1.968 220 A HA -0.103 4.211 4.320 -0.009 0.000 0.217 220 A C 1.415 179.097 177.584 0.164 0.000 1.169 220 A CA 0.790 52.786 52.037 -0.069 0.000 0.638 220 A CB -0.545 18.294 19.000 -0.267 0.000 0.812 220 A HN 0.454 nan 8.150 nan 0.000 0.446 221 W N -0.924 120.293 121.300 -0.138 0.000 2.737 221 W HA 0.334 4.989 4.660 -0.009 0.000 0.262 221 W C 1.504 178.009 176.519 -0.024 0.000 1.282 221 W CA 0.332 57.657 57.345 -0.033 0.000 1.386 221 W CB -0.785 28.659 29.460 -0.026 0.000 1.099 221 W HN 0.573 nan 8.180 nan 0.000 0.621 222 G N 1.896 110.797 108.800 0.168 0.000 2.298 222 G HA2 -0.194 3.761 3.960 -0.009 0.000 0.287 222 G HA3 -0.194 3.761 3.960 -0.009 0.000 0.287 222 G C 0.154 175.098 174.900 0.074 0.000 1.075 222 G CA 0.612 45.763 45.100 0.086 0.000 0.960 222 G HN 0.231 nan 8.290 nan 0.000 0.502 223 T N -2.813 111.792 114.554 0.085 0.000 2.887 223 T HA 0.772 5.117 4.350 -0.009 0.000 0.292 223 T C -0.099 174.617 174.700 0.027 0.000 1.087 223 T CA -1.018 61.117 62.100 0.059 0.000 1.009 223 T CB 2.249 71.182 68.868 0.108 0.000 1.203 223 T HN 0.019 nan 8.240 nan 0.000 0.518 224 K N 1.672 122.079 120.400 0.011 0.000 3.174 224 K HA 0.336 4.650 4.320 -0.009 0.000 0.207 224 K C -0.359 176.239 176.600 -0.003 0.000 1.190 224 K CA -0.317 55.969 56.287 -0.002 0.000 1.054 224 K CB 0.009 32.505 32.500 -0.007 0.000 1.154 224 K HN 0.571 nan 8.250 nan 0.000 0.495 225 L N 1.710 122.935 121.223 0.004 0.000 2.534 225 L HA 0.102 4.437 4.340 -0.009 0.000 0.271 225 L C 1.863 178.725 176.870 -0.013 0.000 1.178 225 L CA 0.063 54.905 54.840 0.003 0.000 0.907 225 L CB 0.371 42.439 42.059 0.015 0.000 1.164 225 L HN 0.319 nan 8.230 nan 0.000 0.482 226 I N 1.815 122.378 120.570 -0.011 0.000 2.439 226 I HA -0.125 4.039 4.170 -0.009 0.000 0.251 226 I C 1.064 177.171 176.117 -0.018 0.000 1.139 226 I CA 0.838 62.129 61.300 -0.014 0.000 1.438 226 I CB 0.359 38.353 38.000 -0.010 0.000 1.085 226 I HN 0.840 nan 8.210 nan 0.000 0.427 227 S N -1.784 113.906 115.700 -0.017 0.000 2.643 227 S HA 0.294 4.759 4.470 -0.009 0.000 0.270 227 S C 0.217 174.801 174.600 -0.027 0.000 1.166 227 S CA -0.791 57.395 58.200 -0.023 0.000 0.815 227 S CB 1.382 64.573 63.200 -0.015 0.000 1.139 227 S HN 0.042 nan 8.310 nan 0.000 0.472 228 E N 0.313 120.492 120.200 -0.035 0.000 2.153 228 E HA 0.037 4.382 4.350 -0.009 0.000 0.194 228 E C 1.476 178.060 176.600 -0.026 0.000 0.988 228 E CA 0.967 57.340 56.400 -0.046 0.000 0.811 228 E CB -0.244 29.425 29.700 -0.052 0.000 0.746 228 E HN 0.495 nan 8.360 nan 0.000 0.466 229 L N -0.068 121.147 121.223 -0.013 0.000 2.549 229 L HA 0.000 4.335 4.340 -0.009 0.000 0.229 229 L C 1.869 178.747 176.870 0.013 0.000 1.158 229 L CA 1.159 56.000 54.840 0.001 0.000 0.842 229 L CB -1.325 40.737 42.059 0.005 0.000 0.952 229 L HN 0.114 nan 8.230 nan 0.000 0.452 230 A N -0.708 122.119 122.820 0.012 0.000 2.178 230 A HA 0.098 4.412 4.320 -0.009 0.000 0.211 230 A C 1.258 178.877 177.584 0.059 0.000 1.157 230 A CA -0.086 51.965 52.037 0.023 0.000 0.780 230 A CB -0.163 18.845 19.000 0.014 0.000 0.828 230 A HN 0.258 nan 8.150 nan 0.000 0.476 231 I N 1.468 122.079 120.570 0.069 0.000 2.363 231 I HA 0.301 4.465 4.170 -0.009 0.000 0.292 231 I C -0.634 175.579 176.117 0.160 0.000 1.075 231 I CA 0.329 61.722 61.300 0.156 0.000 1.333 231 I CB 0.303 38.325 38.000 0.036 0.000 1.415 231 I HN 0.180 nan 8.210 nan 0.000 0.502 232 L N 8.006 129.375 121.223 0.243 0.000 2.502 232 L HA 0.599 4.933 4.340 -0.009 0.000 0.253 232 L C -2.462 174.516 176.870 0.180 0.000 1.070 232 L CA -1.665 53.289 54.840 0.190 0.000 0.871 232 L CB 2.222 44.320 42.059 0.065 0.000 1.487 232 L HN 0.314 nan 8.230 nan 0.000 0.408 233 P HA 0.270 nan 4.420 nan 0.000 0.277 233 P C -2.718 174.299 177.300 -0.472 0.000 1.271 233 P CA -1.661 61.027 63.100 -0.686 0.000 0.795 233 P CB -0.446 30.700 31.700 -0.924 0.000 1.101 234 P HA -0.074 nan 4.420 nan 0.000 0.257 234 P C 1.225 178.459 177.300 -0.110 0.000 1.162 234 P CA 0.696 63.526 63.100 -0.450 0.000 0.762 234 P CB -0.065 31.104 31.700 -0.885 0.000 0.753 235 S N 1.497 117.160 115.700 -0.061 0.000 2.368 235 S HA -0.116 4.348 4.470 -0.009 0.000 0.224 235 S C 0.674 175.262 174.600 -0.020 0.000 1.029 235 S CA 0.929 59.120 58.200 -0.015 0.000 0.988 235 S CB -0.291 62.894 63.200 -0.026 0.000 0.838 235 S HN 0.494 nan 8.310 nan 0.000 0.462 236 D N 0.454 120.855 120.400 0.002 0.000 2.505 236 D HA 0.554 5.189 4.640 -0.009 0.000 0.250 236 D C 0.961 177.321 176.300 0.100 0.000 1.164 236 D CA -0.186 53.833 54.000 0.033 0.000 0.870 236 D CB 1.216 42.039 40.800 0.039 0.000 1.160 236 D HN 0.078 nan 8.370 nan 0.000 0.549 237 G N 2.935 111.809 108.800 0.123 0.000 2.448 237 G HA2 -0.264 3.691 3.960 -0.009 0.000 0.219 237 G HA3 -0.264 3.691 3.960 -0.009 0.000 0.219 237 G C 1.119 176.197 174.900 0.296 0.000 1.127 237 G CA 0.663 45.933 45.100 0.284 0.000 0.766 237 G HN 0.583 nan 8.290 nan 0.000 0.552 238 E N 0.497 120.801 120.200 0.173 0.000 2.046 238 E HA -0.199 4.146 4.350 -0.009 0.000 0.190 238 E C 2.595 179.280 176.600 0.143 0.000 0.982 238 E CA 1.414 57.895 56.400 0.135 0.000 0.800 238 E CB -0.077 29.672 29.700 0.081 0.000 0.756 238 E HN 0.574 nan 8.360 nan 0.000 0.449 239 Q N -0.079 119.802 119.800 0.135 0.000 2.167 239 Q HA -0.160 4.174 4.340 -0.009 0.000 0.202 239 Q C 1.884 177.982 176.000 0.163 0.000 0.970 239 Q CA 1.496 57.369 55.803 0.116 0.000 0.855 239 Q CB -0.849 27.938 28.738 0.082 0.000 0.911 239 Q HN 0.343 nan 8.270 nan 0.000 0.438 240 F N 1.036 121.035 119.950 0.082 0.000 2.102 240 F HA -0.012 4.509 4.527 -0.009 0.000 0.298 240 F C 1.667 177.601 175.800 0.223 0.000 1.105 240 F CA 1.332 59.397 58.000 0.108 0.000 1.239 240 F CB -0.100 38.912 39.000 0.020 0.000 0.991 240 F HN 0.087 nan 8.300 nan 0.000 0.474 241 L N -0.562 120.831 121.223 0.284 0.000 2.275 241 L HA -0.216 4.118 4.340 -0.009 0.000 0.215 241 L C 2.358 179.268 176.870 0.066 0.000 1.119 241 L CA 0.959 55.865 54.840 0.111 0.000 0.790 241 L CB -0.456 41.678 42.059 0.125 0.000 0.919 241 L HN 0.292 nan 8.230 nan 0.000 0.443 242 M N -0.079 119.599 119.600 0.130 0.000 2.160 242 M HA -0.105 4.369 4.480 -0.009 0.000 0.264 242 M C 1.282 177.702 176.300 0.199 0.000 1.073 242 M CA 1.911 57.288 55.300 0.129 0.000 1.142 242 M CB 0.006 32.650 32.600 0.073 0.000 1.358 242 M HN 0.434 nan 8.290 nan 0.000 0.422 243 N N -2.610 116.150 118.700 0.100 0.000 1.885 243 N HA 0.075 4.809 4.740 -0.009 0.000 0.229 243 N C 1.161 176.518 175.510 -0.256 0.000 1.411 243 N CA 0.437 53.423 53.050 -0.107 0.000 0.790 243 N CB -0.858 37.580 38.487 -0.082 0.000 1.064 243 N HN 0.101 nan 8.380 nan 0.000 0.492 244 G N 0.994 109.685 108.800 -0.182 0.000 2.422 244 G HA2 -0.289 3.666 3.960 -0.009 0.000 0.218 244 G HA3 -0.289 3.666 3.960 -0.009 0.000 0.218 244 G C 1.236 175.775 174.900 -0.602 0.000 1.146 244 G CA 1.190 46.137 45.100 -0.254 0.000 0.769 244 G HN 0.573 nan 8.290 nan 0.000 0.547 245 Y N 0.150 119.828 120.300 -1.038 0.000 2.483 245 Y HA 0.200 4.745 4.550 -0.009 0.000 0.291 245 Y C 2.082 177.794 175.900 -0.314 0.000 1.143 245 Y CA 0.377 57.966 58.100 -0.853 0.000 1.289 245 Y CB -0.330 37.739 38.460 -0.652 0.000 0.983 245 Y HN 0.114 nan 8.280 nan 0.000 0.556 246 L N 0.766 121.461 121.223 -0.879 0.000 2.313 246 L HA -0.011 4.324 4.340 -0.009 0.000 0.214 246 L C 1.506 178.222 176.870 -0.258 0.000 1.119 246 L CA 0.380 54.858 54.840 -0.603 0.000 0.809 246 L CB -0.540 41.160 42.059 -0.600 0.000 0.933 246 L HN 0.330 nan 8.230 nan 0.000 0.449 247 S N -0.783 114.802 115.700 -0.192 0.000 2.600 247 S HA 0.047 4.512 4.470 -0.009 0.000 0.265 247 S C 0.890 175.495 174.600 0.008 0.000 1.325 247 S CA -0.570 57.593 58.200 -0.061 0.000 1.002 247 S CB 1.149 64.337 63.200 -0.020 0.000 0.921 247 S HN 0.103 nan 8.310 nan 0.000 0.554 248 M N 1.131 120.775 119.600 0.074 0.000 2.159 248 M HA -0.030 4.444 4.480 -0.009 0.000 0.263 248 M C 1.677 178.071 176.300 0.157 0.000 1.063 248 M CA 1.595 57.006 55.300 0.186 0.000 1.110 248 M CB -1.251 31.529 32.600 0.299 0.000 1.374 248 M HN 0.887 nan 8.290 nan 0.000 0.411 249 Y N -0.016 120.098 120.300 -0.312 0.000 2.097 249 Y HA -0.070 4.475 4.550 -0.009 0.000 0.282 249 Y C 2.055 177.879 175.900 -0.126 0.000 1.152 249 Y CA 2.127 59.727 58.100 -0.834 0.000 1.136 249 Y CB -1.154 36.638 38.460 -1.114 0.000 0.975 249 Y HN 0.240 nan 8.280 nan 0.000 0.498 250 G N 0.266 108.966 108.800 -0.167 0.000 2.440 250 G HA2 -0.295 3.659 3.960 -0.009 0.000 0.218 250 G HA3 -0.295 3.659 3.960 -0.009 0.000 0.218 250 G C 1.661 176.635 174.900 0.123 0.000 1.154 250 G CA 1.185 46.300 45.100 0.026 0.000 0.767 250 G HN 0.449 nan 8.290 nan 0.000 0.552 251 K N 0.169 120.636 120.400 0.112 0.000 2.148 251 K HA -0.034 4.281 4.320 -0.009 0.000 0.204 251 K C 2.080 178.830 176.600 0.251 0.000 1.050 251 K CA 1.207 57.599 56.287 0.176 0.000 0.942 251 K CB -0.033 32.567 32.500 0.166 0.000 0.724 251 K HN 0.139 nan 8.250 nan 0.000 0.446 252 D N -0.080 120.529 120.400 0.348 0.000 2.123 252 D HA -0.156 4.479 4.640 -0.009 0.000 0.200 252 D C 1.718 178.247 176.300 0.381 0.000 0.976 252 D CA 0.959 55.310 54.000 0.586 0.000 0.831 252 D CB -0.205 41.178 40.800 0.972 0.000 0.974 252 D HN 0.154 nan 8.370 nan 0.000 0.469 253 Y N 1.418 121.732 120.300 0.024 0.000 2.145 253 Y HA -0.112 4.433 4.550 -0.009 0.000 0.286 253 Y C 2.138 177.931 175.900 -0.177 0.000 1.145 253 Y CA 1.291 59.157 58.100 -0.389 0.000 1.148 253 Y CB -0.428 37.482 38.460 -0.916 0.000 0.981 253 Y HN -0.099 nan 8.280 nan 0.000 0.507 254 L N 0.112 121.258 121.223 -0.129 0.000 2.201 254 L HA -0.159 4.175 4.340 -0.009 0.000 0.212 254 L C 2.532 179.401 176.870 -0.001 0.000 1.105 254 L CA 1.617 56.427 54.840 -0.051 0.000 0.775 254 L CB -0.497 41.664 42.059 0.170 0.000 0.913 254 L HN 0.338 nan 8.230 nan 0.000 0.440 255 E N -0.191 120.035 120.200 0.044 0.000 2.047 255 E HA -0.273 4.071 4.350 -0.009 0.000 0.191 255 E C 2.095 178.662 176.600 -0.056 0.000 0.987 255 E CA 1.407 57.865 56.400 0.097 0.000 0.799 255 E CB -0.194 29.660 29.700 0.257 0.000 0.752 255 E HN 0.472 nan 8.360 nan 0.000 0.449 256 W N 0.399 121.380 121.300 -0.532 0.000 2.354 256 W HA -0.265 4.390 4.660 -0.008 0.000 0.315 256 W C 2.032 178.295 176.519 -0.428 0.000 1.206 256 W CA 1.915 58.777 57.345 -0.805 0.000 1.290 256 W CB -0.815 27.988 29.460 -1.096 0.000 1.152 256 W HN 0.177 nan 8.180 nan 0.000 0.489 257 Y N 1.377 121.309 120.300 -0.614 0.000 2.081 257 Y HA -0.368 4.177 4.550 -0.009 0.000 0.280 257 Y C 2.830 178.527 175.900 -0.339 0.000 1.163 257 Y CA 2.984 60.675 58.100 -0.682 0.000 1.135 257 Y CB -1.093 36.950 38.460 -0.695 0.000 0.970 257 Y HN 0.218 nan 8.280 nan 0.000 0.498 258 Q N -0.813 118.915 119.800 -0.122 0.000 2.123 258 Q HA -0.069 4.265 4.340 -0.009 0.000 0.199 258 Q C 2.434 178.361 176.000 -0.122 0.000 0.966 258 Q CA 1.152 56.919 55.803 -0.060 0.000 0.845 258 Q CB -0.530 28.248 28.738 0.066 0.000 0.907 258 Q HN 0.592 nan 8.270 nan 0.000 0.439 259 G N 1.635 110.337 108.800 -0.163 0.000 2.469 259 G HA2 -0.253 3.702 3.960 -0.009 0.000 0.220 259 G HA3 -0.253 3.702 3.960 -0.009 0.000 0.220 259 G C 1.352 176.123 174.900 -0.215 0.000 1.136 259 G CA 0.931 45.946 45.100 -0.142 0.000 0.759 259 G HN 0.336 nan 8.290 nan 0.000 0.562 260 I N 0.871 121.203 120.570 -0.396 0.000 2.208 260 I HA -0.117 4.048 4.170 -0.009 0.000 0.245 260 I C 2.832 178.806 176.117 -0.238 0.000 1.097 260 I CA 0.919 61.998 61.300 -0.368 0.000 1.363 260 I CB -1.155 36.532 38.000 -0.522 0.000 1.051 260 I HN 0.197 nan 8.210 nan 0.000 0.413 261 L N 0.089 121.170 121.223 -0.236 0.000 2.093 261 L HA -0.156 4.178 4.340 -0.009 0.000 0.208 261 L C 2.464 179.317 176.870 -0.029 0.000 1.085 261 L CA 1.124 55.885 54.840 -0.131 0.000 0.755 261 L CB -0.603 41.385 42.059 -0.119 0.000 0.904 261 L HN 0.248 nan 8.230 nan 0.000 0.435 262 E N 0.228 120.401 120.200 -0.044 0.000 2.077 262 E HA -0.185 4.159 4.350 -0.009 0.000 0.193 262 E C 1.912 178.478 176.600 -0.056 0.000 0.989 262 E CA 1.077 57.450 56.400 -0.044 0.000 0.800 262 E CB -0.053 29.602 29.700 -0.074 0.000 0.746 262 E HN 0.454 nan 8.360 nan 0.000 0.452 263 N N 0.172 118.845 118.700 -0.045 0.000 2.188 263 N HA -0.155 4.580 4.740 -0.009 0.000 0.184 263 N C 1.706 177.212 175.510 -0.006 0.000 1.018 263 N CA 0.993 54.028 53.050 -0.024 0.000 0.858 263 N CB -0.398 38.080 38.487 -0.014 0.000 0.989 263 N HN 0.233 nan 8.380 nan 0.000 0.426 264 H N 0.839 119.837 119.070 -0.120 0.000 2.353 264 H HA 0.005 4.556 4.556 -0.009 0.000 0.300 264 H C 1.588 176.847 175.328 -0.114 0.000 1.090 264 H CA 1.929 57.904 56.048 -0.123 0.000 1.327 264 H CB -0.390 29.289 29.762 -0.139 0.000 1.383 264 H HN 0.059 nan 8.280 nan 0.000 0.508 265 T N 0.670 115.115 114.554 -0.181 0.000 2.684 265 T HA -0.141 4.203 4.350 -0.009 0.000 0.267 265 T C 1.926 176.477 174.700 -0.249 0.000 1.036 265 T CA 1.745 63.650 62.100 -0.325 0.000 1.148 265 T CB -0.071 68.519 68.868 -0.464 0.000 0.863 265 T HN 0.388 nan 8.240 nan 0.000 0.436 266 K N 0.359 120.666 120.400 -0.156 0.000 2.057 266 K HA -0.026 4.289 4.320 -0.009 0.000 0.207 266 K C 2.195 178.756 176.600 -0.065 0.000 1.049 266 K CA 0.855 57.089 56.287 -0.088 0.000 0.931 266 K CB -0.357 32.113 32.500 -0.050 0.000 0.714 266 K HN 0.133 nan 8.250 nan 0.000 0.440 267 L N 1.994 123.167 121.223 -0.084 0.000 1.994 267 L HA -0.143 4.191 4.340 -0.009 0.000 0.208 267 L C 2.084 178.919 176.870 -0.058 0.000 1.071 267 L CA 1.502 56.302 54.840 -0.067 0.000 0.745 267 L CB -0.476 41.539 42.059 -0.074 0.000 0.892 267 L HN 0.245 nan 8.230 nan 0.000 0.431 268 I N -3.206 117.292 120.570 -0.120 0.000 2.394 268 I HA -0.004 4.160 4.170 -0.009 0.000 0.251 268 I C 2.297 178.443 176.117 0.048 0.000 1.136 268 I CA 1.321 62.634 61.300 0.021 0.000 1.425 268 I CB -1.548 36.450 38.000 -0.004 0.000 1.079 268 I HN 0.221 nan 8.210 nan 0.000 0.425 269 G N 1.224 110.002 108.800 -0.037 0.000 2.440 269 G HA2 -0.311 3.644 3.960 -0.009 0.000 0.218 269 G HA3 -0.311 3.644 3.960 -0.009 0.000 0.218 269 G C 1.588 176.550 174.900 0.104 0.000 1.154 269 G CA 1.079 46.173 45.100 -0.010 0.000 0.767 269 G HN 0.653 nan 8.290 nan 0.000 0.552 270 E N 0.171 120.431 120.200 0.100 0.000 2.031 270 E HA -0.092 4.253 4.350 -0.009 0.000 0.193 270 E C 2.552 179.215 176.600 0.105 0.000 0.994 270 E CA 0.723 57.191 56.400 0.114 0.000 0.800 270 E CB -0.282 29.451 29.700 0.055 0.000 0.752 270 E HN 0.434 nan 8.360 nan 0.000 0.447 271 L N 0.549 121.832 121.223 0.100 0.000 2.042 271 L HA -0.207 4.127 4.340 -0.009 0.000 0.210 271 L C 2.750 179.713 176.870 0.155 0.000 1.076 271 L CA 1.287 56.207 54.840 0.133 0.000 0.749 271 L CB -0.532 41.622 42.059 0.158 0.000 0.893 271 L HN 0.267 nan 8.230 nan 0.000 0.432 272 A N -1.224 121.659 122.820 0.104 0.000 1.897 272 A HA -0.195 4.120 4.320 -0.009 0.000 0.215 272 A C 2.138 179.650 177.584 -0.119 0.000 1.181 272 A CA 1.144 53.082 52.037 -0.164 0.000 0.620 272 A CB -0.673 18.171 19.000 -0.260 0.000 0.821 272 A HN 0.386 nan 8.150 nan 0.000 0.443 273 H N 0.440 119.527 119.070 0.028 0.000 2.321 273 H HA -0.087 4.463 4.556 -0.010 0.000 0.300 273 H C 1.862 177.195 175.328 0.008 0.000 1.087 273 H CA 1.737 57.811 56.048 0.044 0.000 1.319 273 H CB -0.226 29.555 29.762 0.031 0.000 1.379 273 H HN 0.429 nan 8.280 nan 0.000 0.501 274 N N 0.652 119.412 118.700 0.100 0.000 2.166 274 N HA -0.093 4.641 4.740 -0.009 0.000 0.186 274 N C 1.957 177.438 175.510 -0.048 0.000 1.019 274 N CA 1.171 54.238 53.050 0.029 0.000 0.856 274 N CB -0.297 38.200 38.487 0.017 0.000 0.993 274 N HN 0.334 nan 8.380 nan 0.000 0.426 275 A N -0.790 121.921 122.820 -0.182 0.000 1.975 275 A HA 0.138 4.453 4.320 -0.009 0.000 0.215 275 A C 1.496 178.850 177.584 -0.382 0.000 1.170 275 A CA 0.629 52.428 52.037 -0.396 0.000 0.656 275 A CB -0.292 18.286 19.000 -0.703 0.000 0.821 275 A HN 0.272 nan 8.150 nan 0.000 0.449 276 F N -1.208 118.812 119.950 0.116 0.000 2.712 276 F HA 0.100 4.622 4.527 -0.009 0.000 0.297 276 F C 1.637 177.542 175.800 0.174 0.000 1.114 276 F CA -0.293 57.833 58.000 0.210 0.000 1.305 276 F CB 0.194 39.290 39.000 0.160 0.000 1.086 276 F HN 0.016 nan 8.300 nan 0.000 0.599 277 D N 1.007 121.571 120.400 0.275 0.000 2.156 277 D HA -0.218 4.416 4.640 -0.009 0.000 0.190 277 D C 2.421 178.795 176.300 0.122 0.000 0.998 277 D CA 2.755 56.877 54.000 0.203 0.000 0.842 277 D CB -0.949 39.950 40.800 0.165 0.000 0.974 277 D HN 0.257 nan 8.370 nan 0.000 0.447 278 T N -1.890 112.703 114.554 0.065 0.000 2.788 278 T HA -0.123 4.221 4.350 -0.009 0.000 0.268 278 T C 1.976 176.652 174.700 -0.040 0.000 1.044 278 T CA 2.046 64.151 62.100 0.010 0.000 1.139 278 T CB -0.724 68.137 68.868 -0.011 0.000 0.867 278 T HN 0.053 nan 8.240 nan 0.000 0.454 279 T N 1.050 115.557 114.554 -0.078 0.000 2.706 279 T HA 0.193 4.537 4.350 -0.009 0.000 0.255 279 T C 1.501 175.975 174.700 -0.378 0.000 1.048 279 T CA 1.032 62.955 62.100 -0.295 0.000 1.153 279 T CB -0.504 68.070 68.868 -0.491 0.000 0.865 279 T HN 0.436 nan 8.240 nan 0.000 0.414 280 F N 1.064 121.059 119.950 0.076 0.000 2.317 280 F HA 0.194 4.714 4.527 -0.011 0.000 0.293 280 F C 1.134 176.953 175.800 0.032 0.000 1.085 280 F CA -0.107 57.918 58.000 0.041 0.000 1.390 280 F CB -0.503 38.510 39.000 0.022 0.000 1.077 280 F HN 0.052 nan 8.300 nan 0.000 0.517 281 Q N 0.540 120.464 119.800 0.206 0.000 2.451 281 Q HA -0.150 4.185 4.340 -0.009 0.000 0.305 281 Q C -0.879 175.192 176.000 0.120 0.000 1.345 281 Q CA 0.293 56.176 55.803 0.134 0.000 0.854 281 Q CB -2.015 26.770 28.738 0.077 0.000 1.162 281 Q HN 0.346 nan 8.270 nan 0.000 0.440 282 V N -3.672 116.316 119.914 0.124 0.000 3.046 282 V HA 0.863 4.977 4.120 -0.009 0.000 0.316 282 V C -2.076 174.027 176.094 0.016 0.000 1.104 282 V CA -2.307 60.022 62.300 0.048 0.000 1.006 282 V CB 1.619 33.437 31.823 -0.008 0.000 1.058 282 V HN 0.055 nan 8.190 nan 0.000 0.440 283 P HA 0.468 nan 4.420 nan 0.000 0.271 283 P C -0.885 176.342 177.300 -0.123 0.000 1.218 283 P CA 0.034 63.115 63.100 -0.032 0.000 0.780 283 P CB 1.062 32.738 31.700 -0.041 0.000 0.901 284 I N 1.020 121.531 120.570 -0.100 0.000 2.530 284 I HA 0.663 4.827 4.170 -0.009 0.000 0.297 284 I C 0.717 176.758 176.117 -0.125 0.000 1.011 284 I CA -0.474 60.710 61.300 -0.193 0.000 1.107 284 I CB 2.349 40.187 38.000 -0.270 0.000 1.285 284 I HN 0.468 nan 8.210 nan 0.000 0.436 285 G N 3.081 111.795 108.800 -0.143 0.000 2.727 285 G HA2 0.871 4.825 3.960 -0.009 0.000 0.289 285 G HA3 0.871 4.825 3.960 -0.009 0.000 0.289 285 G C -1.965 173.080 174.900 0.242 0.000 1.418 285 G CA -0.572 44.557 45.100 0.048 0.000 0.818 285 G HN 0.813 nan 8.290 nan 0.000 0.486 286 A N -0.343 122.711 122.820 0.390 0.000 2.566 286 A HA 0.863 5.177 4.320 -0.009 0.000 0.292 286 A C -0.831 177.001 177.584 0.413 0.000 1.112 286 A CA -0.764 51.509 52.037 0.395 0.000 0.707 286 A CB 1.696 20.885 19.000 0.316 0.000 1.302 286 A HN 0.568 nan 8.150 nan 0.000 0.409 287 K N 0.505 121.064 120.400 0.266 0.000 2.164 287 K HA 0.705 5.019 4.320 -0.009 0.000 0.258 287 K C -1.339 175.404 176.600 0.238 0.000 0.951 287 K CA -0.271 56.123 56.287 0.179 0.000 0.844 287 K CB 2.050 34.558 32.500 0.012 0.000 1.099 287 K HN 0.553 nan 8.250 nan 0.000 0.435 288 I N 1.834 122.524 120.570 0.199 0.000 2.433 288 I HA 0.292 4.457 4.170 -0.009 0.000 0.292 288 I C -0.296 175.928 176.117 0.178 0.000 1.001 288 I CA -0.845 60.596 61.300 0.235 0.000 1.119 288 I CB 1.974 40.051 38.000 0.129 0.000 1.289 288 I HN 0.668 nan 8.210 nan 0.000 0.438 289 A N 4.247 127.246 122.820 0.298 0.000 2.331 289 A HA 0.617 4.931 4.320 -0.009 0.000 0.283 289 A C 0.460 178.120 177.584 0.126 0.000 1.142 289 A CA -0.391 51.766 52.037 0.200 0.000 0.812 289 A CB 0.539 19.756 19.000 0.363 0.000 1.074 289 A HN 0.878 nan 8.150 nan 0.000 0.497 290 G N 1.155 109.839 108.800 -0.194 0.000 2.519 290 G HA2 0.447 4.401 3.960 -0.009 0.000 0.306 290 G HA3 0.447 4.401 3.960 -0.009 0.000 0.306 290 G C -0.238 174.751 174.900 0.148 0.000 0.965 290 G CA -0.180 44.838 45.100 -0.135 0.000 1.291 290 G HN 0.699 nan 8.290 nan 0.000 0.450 291 V N 4.316 124.318 119.914 0.146 0.000 2.125 291 V HA 0.068 4.183 4.120 -0.009 0.000 0.263 291 V C 1.251 177.248 176.094 -0.162 0.000 1.365 291 V CA -0.411 61.707 62.300 -0.302 0.000 1.276 291 V CB -1.070 30.527 31.823 -0.377 0.000 1.350 291 V HN 0.980 nan 8.190 nan 0.000 0.487 292 H N 0.247 119.387 119.070 0.117 0.000 2.546 292 H HA -0.003 4.547 4.556 -0.009 0.000 0.277 292 H C 0.621 176.165 175.328 0.360 0.000 1.004 292 H CA -0.043 56.152 56.048 0.246 0.000 1.231 292 H CB -0.171 29.725 29.762 0.223 0.000 1.382 292 H HN 0.678 nan 8.280 nan 0.000 0.580 293 W N -0.032 121.221 121.300 -0.077 0.000 2.375 293 W HA 0.456 5.111 4.660 -0.010 0.000 0.336 293 W C -0.070 176.485 176.519 0.060 0.000 1.160 293 W CA -1.204 56.137 57.345 -0.008 0.000 1.266 293 W CB 1.037 30.356 29.460 -0.235 0.000 1.195 293 W HN -0.053 nan 8.180 nan 0.000 0.599 294 Q N 0.442 120.410 119.800 0.280 0.000 2.489 294 Q HA -0.344 3.991 4.340 -0.009 0.000 0.259 294 Q C 0.506 176.539 176.000 0.055 0.000 0.934 294 Q CA 1.631 57.511 55.803 0.129 0.000 1.131 294 Q CB -2.796 25.958 28.738 0.027 0.000 1.472 294 Q HN 0.938 nan 8.270 nan 0.000 0.560 295 Y N 2.143 122.475 120.300 0.053 0.000 2.109 295 Y HA -0.143 4.401 4.550 -0.009 0.000 0.285 295 Y C 1.660 177.437 175.900 -0.204 0.000 1.131 295 Y CA 2.283 60.408 58.100 0.042 0.000 1.121 295 Y CB 0.161 38.737 38.460 0.194 0.000 0.987 295 Y HN 0.435 nan 8.280 nan 0.000 0.495 296 N N 0.312 119.115 118.700 0.173 0.000 2.453 296 N HA -0.011 4.723 4.740 -0.009 0.000 0.270 296 N C -1.041 174.336 175.510 -0.222 0.000 1.195 296 N CA -0.102 52.955 53.050 0.011 0.000 0.902 296 N CB -0.832 37.800 38.487 0.243 0.000 1.186 296 N HN 0.245 nan 8.380 nan 0.000 0.510 297 N N 2.562 120.990 118.700 -0.453 0.000 2.442 297 N HA 0.096 4.831 4.740 -0.009 0.000 0.265 297 N C -1.295 173.917 175.510 -0.497 0.000 1.138 297 N CA -1.305 51.216 53.050 -0.882 0.000 0.956 297 N CB 1.560 39.687 38.487 -0.601 0.000 1.067 297 N HN 0.084 nan 8.380 nan 0.000 0.474 298 P HA -0.158 nan 4.420 nan 0.000 0.215 298 P C 1.007 178.229 177.300 -0.130 0.000 1.157 298 P CA 1.950 64.938 63.100 -0.187 0.000 0.868 298 P CB 0.031 31.669 31.700 -0.103 0.000 0.788 299 T N -1.513 112.964 114.554 -0.129 0.000 2.976 299 T HA 0.051 4.396 4.350 -0.009 0.000 0.257 299 T C 1.454 176.117 174.700 -0.063 0.000 1.051 299 T CA 0.391 62.454 62.100 -0.062 0.000 1.141 299 T CB -0.814 68.037 68.868 -0.027 0.000 0.881 299 T HN 0.258 nan 8.240 nan 0.000 0.461 300 I N 0.282 120.780 120.570 -0.119 0.000 2.778 300 I HA 0.467 4.631 4.170 -0.009 0.000 0.285 300 I C -2.999 172.988 176.117 -0.217 0.000 1.236 300 I CA -2.971 58.254 61.300 -0.125 0.000 1.089 300 I CB 1.171 39.128 38.000 -0.071 0.000 1.601 300 I HN -0.179 nan 8.210 nan 0.000 0.573 301 P HA -0.047 nan 4.420 nan 0.000 0.263 301 P C -0.188 176.873 177.300 -0.399 0.000 1.195 301 P CA 0.795 63.643 63.100 -0.421 0.000 0.762 301 P CB 0.134 31.621 31.700 -0.355 0.000 0.799 302 H N 1.439 120.366 119.070 -0.238 0.000 2.791 302 H HA -0.144 4.407 4.556 -0.009 0.000 0.302 302 H C 1.532 176.742 175.328 -0.196 0.000 1.198 302 H CA 0.955 56.870 56.048 -0.221 0.000 1.145 302 H CB -2.292 27.322 29.762 -0.246 0.000 1.385 302 H HN 0.725 nan 8.280 nan 0.000 0.409 303 G N -0.389 108.336 108.800 -0.125 0.000 2.535 303 G HA2 0.044 3.999 3.960 -0.009 0.000 0.218 303 G HA3 0.044 3.999 3.960 -0.009 0.000 0.218 303 G C 1.506 176.314 174.900 -0.154 0.000 1.122 303 G CA 0.927 45.956 45.100 -0.117 0.000 0.769 303 G HN 0.616 nan 8.290 nan 0.000 0.549 304 A N 0.146 122.827 122.820 -0.232 0.000 1.993 304 A HA 0.341 4.656 4.320 -0.009 0.000 0.207 304 A C 1.970 179.352 177.584 -0.337 0.000 1.224 304 A CA 1.025 52.812 52.037 -0.417 0.000 0.749 304 A CB 0.124 18.488 19.000 -1.060 0.000 0.884 304 A HN 0.316 nan 8.150 nan 0.000 0.467 305 E N 0.640 120.727 120.200 -0.189 0.000 2.015 305 E HA -0.159 4.186 4.350 -0.009 0.000 0.191 305 E C 1.878 178.446 176.600 -0.053 0.000 0.991 305 E CA 1.398 57.782 56.400 -0.028 0.000 0.802 305 E CB -0.144 29.621 29.700 0.109 0.000 0.759 305 E HN 0.488 nan 8.360 nan 0.000 0.447 306 K N 0.058 120.425 120.400 -0.055 0.000 2.044 306 K HA -0.168 4.146 4.320 -0.009 0.000 0.210 306 K C -0.710 175.840 176.600 -0.083 0.000 1.049 306 K CA 1.692 57.975 56.287 -0.007 0.000 0.927 306 K CB -1.006 31.529 32.500 0.057 0.000 0.713 306 K HN 0.111 nan 8.250 nan 0.000 0.443 307 P HA -0.102 nan 4.420 nan 0.000 0.221 307 P C 0.740 177.970 177.300 -0.117 0.000 1.150 307 P CA 1.256 63.962 63.100 -0.656 0.000 0.800 307 P CB 0.079 31.358 31.700 -0.701 0.000 0.787 308 A N -0.930 121.828 122.820 -0.103 0.000 2.168 308 A HA 0.327 4.641 4.320 -0.009 0.000 0.215 308 A C 1.771 179.248 177.584 -0.178 0.000 1.152 308 A CA 1.277 53.241 52.037 -0.122 0.000 0.716 308 A CB -1.210 17.658 19.000 -0.221 0.000 0.794 308 A HN 0.267 nan 8.150 nan 0.000 0.465 309 G N -2.931 105.851 108.800 -0.030 0.000 2.184 309 G HA2 -0.194 3.761 3.960 -0.009 0.000 0.206 309 G HA3 -0.194 3.761 3.960 -0.009 0.000 0.206 309 G C -0.229 174.686 174.900 0.024 0.000 0.995 309 G CA 0.042 45.163 45.100 0.034 0.000 0.651 309 G HN 0.360 nan 8.290 nan 0.000 0.511 310 Y N 1.770 122.072 120.300 0.003 0.000 2.751 310 Y HA 0.464 5.009 4.550 -0.008 0.000 0.333 310 Y C 1.095 176.799 175.900 -0.328 0.000 1.122 310 Y CA -1.306 56.647 58.100 -0.245 0.000 1.367 310 Y CB 0.210 38.473 38.460 -0.328 0.000 1.242 310 Y HN 0.287 nan 8.280 nan 0.000 0.505 311 N N 0.937 119.596 118.700 -0.068 0.000 2.454 311 N HA -0.074 4.660 4.740 -0.009 0.000 0.177 311 N C -0.747 174.682 175.510 -0.134 0.000 1.049 311 N CA 0.446 53.453 53.050 -0.072 0.000 0.887 311 N CB 0.652 39.175 38.487 0.061 0.000 1.095 311 N HN 0.445 nan 8.380 nan 0.000 0.446 312 D N -0.344 119.984 120.400 -0.120 0.000 2.336 312 D HA 0.110 4.744 4.640 -0.009 0.000 0.248 312 D C 0.009 176.299 176.300 -0.016 0.000 1.326 312 D CA -0.538 53.439 54.000 -0.039 0.000 0.973 312 D CB 0.146 40.988 40.800 0.069 0.000 1.255 312 D HN 0.033 nan 8.370 nan 0.000 0.558 313 Y N 1.484 121.806 120.300 0.036 0.000 2.274 313 Y HA -0.192 4.353 4.550 -0.009 0.000 0.290 313 Y C 2.605 178.512 175.900 0.011 0.000 1.145 313 Y CA 1.392 59.483 58.100 -0.015 0.000 1.203 313 Y CB 0.082 38.484 38.460 -0.097 0.000 0.984 313 Y HN 0.371 nan 8.280 nan 0.000 0.533 314 S N -0.854 114.962 115.700 0.193 0.000 2.356 314 S HA -0.271 4.194 4.470 -0.009 0.000 0.223 314 S C 1.991 176.708 174.600 0.194 0.000 1.032 314 S CA 1.509 59.799 58.200 0.150 0.000 1.005 314 S CB -0.583 62.692 63.200 0.125 0.000 0.867 314 S HN 0.621 nan 8.310 nan 0.000 0.449 315 H N -0.264 118.858 119.070 0.087 0.000 2.357 315 H HA -0.057 4.493 4.556 -0.009 0.000 0.301 315 H C 2.227 177.626 175.328 0.118 0.000 1.082 315 H CA 1.522 57.626 56.048 0.092 0.000 1.342 315 H CB -0.124 29.689 29.762 0.084 0.000 1.389 315 H HN 0.411 nan 8.280 nan 0.000 0.511 316 L N 0.994 122.315 121.223 0.164 0.000 2.046 316 L HA -0.143 4.192 4.340 -0.009 0.000 0.208 316 L C 2.202 179.215 176.870 0.238 0.000 1.077 316 L CA 1.256 56.195 54.840 0.165 0.000 0.747 316 L CB -0.579 41.595 42.059 0.192 0.000 0.896 316 L HN 0.256 nan 8.230 nan 0.000 0.432 317 L N -0.640 120.677 121.223 0.156 0.000 2.191 317 L HA -0.182 4.153 4.340 -0.009 0.000 0.212 317 L C 2.013 178.991 176.870 0.179 0.000 1.103 317 L CA 0.872 55.777 54.840 0.108 0.000 0.769 317 L CB -0.753 41.305 42.059 -0.002 0.000 0.908 317 L HN 0.310 nan 8.230 nan 0.000 0.438 318 D N 0.208 120.692 120.400 0.139 0.000 2.178 318 D HA -0.124 4.511 4.640 -0.009 0.000 0.202 318 D C 2.207 178.569 176.300 0.105 0.000 0.974 318 D CA 1.298 55.363 54.000 0.108 0.000 0.841 318 D CB 0.159 41.011 40.800 0.086 0.000 0.953 318 D HN 0.301 nan 8.370 nan 0.000 0.478 319 A N -0.025 122.864 122.820 0.115 0.000 1.930 319 A HA -0.134 4.180 4.320 -0.009 0.000 0.217 319 A C 1.927 179.549 177.584 0.063 0.000 1.175 319 A CA 0.837 52.907 52.037 0.055 0.000 0.627 319 A CB -0.776 18.231 19.000 0.012 0.000 0.815 319 A HN 0.123 nan 8.150 nan 0.000 0.443 320 F N 0.026 119.992 119.950 0.025 0.000 2.206 320 F HA -0.028 4.493 4.527 -0.010 0.000 0.298 320 F C 2.256 178.082 175.800 0.042 0.000 1.090 320 F CA 1.647 59.672 58.000 0.041 0.000 1.323 320 F CB -0.178 38.851 39.000 0.048 0.000 1.028 320 F HN 0.153 nan 8.300 nan 0.000 0.492 321 K N 0.451 120.984 120.400 0.223 0.000 2.026 321 K HA -0.171 4.143 4.320 -0.009 0.000 0.208 321 K C 2.346 178.997 176.600 0.085 0.000 1.048 321 K CA 1.753 58.118 56.287 0.131 0.000 0.929 321 K CB -0.255 32.304 32.500 0.098 0.000 0.713 321 K HN 0.320 nan 8.250 nan 0.000 0.439 322 S N 0.106 115.845 115.700 0.066 0.000 2.402 322 S HA -0.058 4.407 4.470 -0.009 0.000 0.229 322 S C 2.029 176.644 174.600 0.026 0.000 1.021 322 S CA 0.879 59.101 58.200 0.035 0.000 0.974 322 S CB -0.126 63.089 63.200 0.026 0.000 0.800 322 S HN 0.360 nan 8.310 nan 0.000 0.484 323 A N 1.361 124.198 122.820 0.028 0.000 2.206 323 A HA 0.264 4.579 4.320 -0.009 0.000 0.211 323 A C 0.875 178.532 177.584 0.123 0.000 1.158 323 A CA 0.351 52.407 52.037 0.033 0.000 0.761 323 A CB -0.631 18.334 19.000 -0.058 0.000 0.801 323 A HN 0.554 nan 8.150 nan 0.000 0.473 324 K N -1.426 119.041 120.400 0.111 0.000 3.162 324 K HA -0.143 4.171 4.320 -0.009 0.000 0.268 324 K C -1.050 175.720 176.600 0.283 0.000 1.062 324 K CA 0.605 56.984 56.287 0.153 0.000 0.769 324 K CB -2.066 30.425 32.500 -0.014 0.000 1.274 324 K HN 0.497 nan 8.250 nan 0.000 0.478 325 L N 0.719 122.061 121.223 0.198 0.000 2.365 325 L HA 0.389 4.723 4.340 -0.009 0.000 0.273 325 L C 0.197 177.215 176.870 0.247 0.000 1.000 325 L CA -1.204 53.747 54.840 0.184 0.000 0.819 325 L CB 1.550 43.673 42.059 0.107 0.000 1.284 325 L HN 0.008 nan 8.230 nan 0.000 0.418 326 D N 1.460 121.966 120.400 0.176 0.000 2.341 326 D HA 0.264 4.899 4.640 -0.009 0.000 0.245 326 D C -0.379 176.058 176.300 0.228 0.000 1.106 326 D CA -0.011 54.079 54.000 0.150 0.000 0.905 326 D CB 2.406 43.249 40.800 0.070 0.000 1.202 326 D HN 0.089 nan 8.370 nan 0.000 0.426 327 V N 1.227 121.221 119.914 0.132 0.000 2.630 327 V HA 0.536 4.651 4.120 -0.009 0.000 0.305 327 V C -0.527 175.647 176.094 0.132 0.000 1.046 327 V CA -0.092 62.243 62.300 0.058 0.000 0.934 327 V CB 1.965 33.623 31.823 -0.274 0.000 1.003 327 V HN 0.561 nan 8.190 nan 0.000 0.451 328 T N 6.883 121.550 114.554 0.189 0.000 2.848 328 T HA 0.561 4.906 4.350 -0.009 0.000 0.285 328 T C -1.241 173.610 174.700 0.252 0.000 0.995 328 T CA -0.034 62.215 62.100 0.249 0.000 0.970 328 T CB 1.116 70.140 68.868 0.261 0.000 0.976 328 T HN 0.549 nan 8.240 nan 0.000 0.441 329 F N 2.503 122.528 119.950 0.126 0.000 2.579 329 F HA 0.701 5.222 4.527 -0.010 0.000 0.324 329 F C 0.595 176.470 175.800 0.124 0.000 1.058 329 F CA -0.511 57.543 58.000 0.091 0.000 0.944 329 F CB 1.752 40.792 39.000 0.066 0.000 1.245 329 F HN 0.646 nan 8.300 nan 0.000 0.477 330 T N -1.550 112.603 114.554 -0.668 0.000 2.889 330 T HA 0.403 4.748 4.350 -0.009 0.000 0.278 330 T C 0.164 174.662 174.700 -0.337 0.000 0.995 330 T CA -0.104 61.775 62.100 -0.368 0.000 0.966 330 T CB 0.986 69.680 68.868 -0.291 0.000 1.237 330 T HN 0.977 nan 8.240 nan 0.000 0.591 331 C N -0.386 118.834 119.300 -0.134 0.000 4.617 331 C HA -0.117 4.338 4.460 -0.009 0.000 0.260 331 C C 2.104 177.070 174.990 -0.041 0.000 1.288 331 C CA 0.180 59.147 59.018 -0.085 0.000 1.668 331 C CB -3.043 24.630 27.740 -0.111 0.000 1.518 331 C HN 0.877 nan 8.230 nan 0.000 0.708 332 L N 1.393 122.614 121.223 -0.003 0.000 2.189 332 L HA -0.168 4.166 4.340 -0.009 0.000 0.214 332 L C 2.559 179.371 176.870 -0.096 0.000 1.097 332 L CA 2.476 57.273 54.840 -0.071 0.000 0.764 332 L CB -0.527 41.455 42.059 -0.130 0.000 0.900 332 L HN 0.729 nan 8.230 nan 0.000 0.436 333 E N -0.403 119.771 120.200 -0.042 0.000 2.489 333 E HA -0.010 4.335 4.350 -0.009 0.000 0.193 333 E C 0.670 177.232 176.600 -0.064 0.000 1.057 333 E CA 0.073 56.445 56.400 -0.047 0.000 0.866 333 E CB 0.194 29.902 29.700 0.014 0.000 0.916 333 E HN 0.288 nan 8.360 nan 0.000 0.500 334 M N 1.511 121.058 119.600 -0.087 0.000 2.444 334 M HA 0.312 4.786 4.480 -0.009 0.000 0.319 334 M C 0.328 176.572 176.300 -0.093 0.000 1.183 334 M CA -0.359 54.873 55.300 -0.113 0.000 1.032 334 M CB 1.258 33.737 32.600 -0.203 0.000 1.569 334 M HN -0.066 nan 8.290 nan 0.000 0.468 335 T N -2.206 112.300 114.554 -0.080 0.000 2.908 335 T HA 0.505 4.849 4.350 -0.009 0.000 0.290 335 T C -0.492 174.182 174.700 -0.044 0.000 1.034 335 T CA -1.044 61.026 62.100 -0.051 0.000 1.010 335 T CB 1.577 70.428 68.868 -0.028 0.000 1.068 335 T HN 0.422 nan 8.240 nan 0.000 0.481 336 D N 1.713 122.096 120.400 -0.028 0.000 2.414 336 D HA 0.248 4.883 4.640 -0.009 0.000 0.242 336 D C 0.650 176.960 176.300 0.017 0.000 1.129 336 D CA -0.351 53.642 54.000 -0.010 0.000 0.885 336 D CB 1.275 42.071 40.800 -0.007 0.000 1.198 336 D HN 0.450 nan 8.370 nan 0.000 0.437 337 K N 0.512 120.939 120.400 0.044 0.000 2.378 337 K HA 0.186 4.501 4.320 -0.009 0.000 0.222 337 K C 1.374 178.012 176.600 0.063 0.000 1.178 337 K CA 0.464 56.779 56.287 0.047 0.000 0.827 337 K CB -0.601 31.933 32.500 0.056 0.000 1.412 337 K HN 0.590 nan 8.250 nan 0.000 0.443 338 G N 2.777 111.639 108.800 0.103 0.000 2.179 338 G HA2 -0.269 3.686 3.960 -0.009 0.000 0.257 338 G HA3 -0.269 3.686 3.960 -0.009 0.000 0.257 338 G C 0.107 175.069 174.900 0.104 0.000 1.010 338 G CA 0.873 46.071 45.100 0.163 0.000 0.736 338 G HN 0.513 nan 8.290 nan 0.000 0.513 339 S N -1.246 114.418 115.700 -0.059 0.000 2.621 339 S HA 0.691 5.156 4.470 -0.009 0.000 0.302 339 S C -0.101 174.130 174.600 -0.615 0.000 1.093 339 S CA -0.931 57.144 58.200 -0.209 0.000 1.017 339 S CB 2.093 65.244 63.200 -0.082 0.000 1.077 339 S HN 1.089 nan 8.310 nan 0.000 0.517 340 Y N 2.996 122.812 120.300 -0.807 0.000 2.597 340 Y HA 0.319 4.863 4.550 -0.009 0.000 0.336 340 Y C -1.398 174.277 175.900 -0.375 0.000 1.216 340 Y CA -1.011 56.593 58.100 -0.827 0.000 1.463 340 Y CB 0.802 39.057 38.460 -0.343 0.000 1.303 340 Y HN 0.578 nan 8.280 nan 0.000 0.576 341 P HA 0.080 nan 4.420 nan 0.000 0.257 341 P C -0.022 176.998 177.300 -0.467 0.000 1.241 341 P CA 0.638 63.031 63.100 -1.177 0.000 0.816 341 P CB 0.581 31.563 31.700 -1.198 0.000 1.150 342 E N -0.637 119.343 120.200 -0.366 0.000 2.170 342 E HA -0.046 4.298 4.350 -0.009 0.000 0.191 342 E C -0.109 176.558 176.600 0.112 0.000 0.981 342 E CA 0.169 56.466 56.400 -0.172 0.000 0.830 342 E CB -0.991 28.601 29.700 -0.181 0.000 0.775 342 E HN 0.129 nan 8.360 nan 0.000 0.470 343 Y N 1.073 121.398 120.300 0.041 0.000 3.037 343 Y HA -0.257 4.287 4.550 -0.009 0.000 0.204 343 Y C -0.273 175.741 175.900 0.190 0.000 1.275 343 Y CA 0.452 58.620 58.100 0.112 0.000 1.066 343 Y CB -2.223 36.295 38.460 0.097 0.000 1.305 343 Y HN 0.005 nan 8.280 nan 0.000 0.499 344 S N 0.485 116.367 115.700 0.303 0.000 2.457 344 S HA 0.713 5.177 4.470 -0.009 0.000 0.289 344 S C 0.102 174.844 174.600 0.238 0.000 1.163 344 S CA -0.953 57.483 58.200 0.393 0.000 1.078 344 S CB 1.166 64.720 63.200 0.589 0.000 0.987 344 S HN 0.272 nan 8.310 nan 0.000 0.482 345 M N 4.634 124.309 119.600 0.125 0.000 2.746 345 M HA 0.287 4.762 4.480 -0.009 0.000 0.209 345 M C -2.139 174.030 176.300 -0.217 0.000 1.077 345 M CA -2.348 52.864 55.300 -0.146 0.000 0.695 345 M CB 0.727 33.059 32.600 -0.447 0.000 1.416 345 M HN 0.501 nan 8.290 nan 0.000 0.459 346 P HA -0.131 nan 4.420 nan 0.000 0.217 346 P C 1.341 178.590 177.300 -0.085 0.000 1.151 346 P CA 1.310 64.349 63.100 -0.101 0.000 0.828 346 P CB 0.539 32.040 31.700 -0.332 0.000 0.788 347 K N -0.370 119.968 120.400 -0.103 0.000 2.097 347 K HA -0.056 4.258 4.320 -0.009 0.000 0.205 347 K C 2.057 178.592 176.600 -0.109 0.000 1.050 347 K CA 1.661 57.895 56.287 -0.089 0.000 0.938 347 K CB -0.418 32.043 32.500 -0.064 0.000 0.718 347 K HN -0.008 nan 8.250 nan 0.000 0.442 348 T N 1.795 116.270 114.554 -0.133 0.000 2.777 348 T HA -0.119 4.226 4.350 -0.009 0.000 0.266 348 T C 1.694 176.304 174.700 -0.151 0.000 1.040 348 T CA 0.950 62.973 62.100 -0.127 0.000 1.141 348 T CB -0.131 68.649 68.868 -0.147 0.000 0.868 348 T HN 0.157 nan 8.240 nan 0.000 0.444 349 L N 0.966 122.062 121.223 -0.212 0.000 1.989 349 L HA -0.157 4.178 4.340 -0.009 0.000 0.211 349 L C 2.596 179.345 176.870 -0.202 0.000 1.071 349 L CA 1.491 56.249 54.840 -0.138 0.000 0.749 349 L CB -0.502 41.575 42.059 0.031 0.000 0.890 349 L HN 0.167 nan 8.230 nan 0.000 0.431 350 V N 0.345 120.227 119.914 -0.053 0.000 2.255 350 V HA -0.349 3.765 4.120 -0.009 0.000 0.247 350 V C 2.524 178.463 176.094 -0.257 0.000 1.051 350 V CA 2.286 64.543 62.300 -0.071 0.000 1.018 350 V CB -0.996 30.877 31.823 0.083 0.000 0.641 350 V HN 0.685 nan 8.190 nan 0.000 0.445 351 Q N -0.043 119.576 119.800 -0.302 0.000 2.291 351 Q HA -0.182 4.152 4.340 -0.009 0.000 0.205 351 Q C 1.752 177.648 176.000 -0.173 0.000 0.970 351 Q CA 1.633 57.197 55.803 -0.398 0.000 0.876 351 Q CB -0.483 27.992 28.738 -0.438 0.000 0.935 351 Q HN 0.623 nan 8.270 nan 0.000 0.455 352 N N 0.803 119.398 118.700 -0.177 0.000 2.250 352 N HA -0.014 4.720 4.740 -0.009 0.000 0.181 352 N C 1.780 177.152 175.510 -0.230 0.000 1.017 352 N CA 0.782 53.751 53.050 -0.135 0.000 0.866 352 N CB 0.099 38.532 38.487 -0.091 0.000 0.985 352 N HN 0.254 nan 8.380 nan 0.000 0.429 353 I N 1.637 121.949 120.570 -0.430 0.000 2.233 353 I HA -0.104 4.061 4.170 -0.009 0.000 0.243 353 I C 2.394 178.301 176.117 -0.350 0.000 1.093 353 I CA 0.544 61.519 61.300 -0.542 0.000 1.380 353 I CB -1.424 35.943 38.000 -1.054 0.000 1.067 353 I HN -0.026 nan 8.210 nan 0.000 0.413 354 A N 0.371 123.018 122.820 -0.287 0.000 1.940 354 A HA -0.213 4.102 4.320 -0.009 0.000 0.219 354 A C 2.431 179.974 177.584 -0.068 0.000 1.176 354 A CA 2.461 54.387 52.037 -0.185 0.000 0.631 354 A CB -1.033 17.934 19.000 -0.055 0.000 0.814 354 A HN 0.416 nan 8.150 nan 0.000 0.446 355 T N 0.257 114.803 114.554 -0.014 0.000 2.701 355 T HA -0.058 4.287 4.350 -0.009 0.000 0.263 355 T C 1.845 176.536 174.700 -0.015 0.000 1.040 355 T CA 1.395 63.515 62.100 0.034 0.000 1.147 355 T CB -0.381 68.525 68.868 0.063 0.000 0.865 355 T HN 0.363 nan 8.240 nan 0.000 0.426 356 L N 0.772 121.963 121.223 -0.054 0.000 2.012 356 L HA -0.169 4.165 4.340 -0.009 0.000 0.210 356 L C 3.032 179.871 176.870 -0.052 0.000 1.073 356 L CA 1.441 56.255 54.840 -0.045 0.000 0.748 356 L CB -0.684 41.337 42.059 -0.063 0.000 0.891 356 L HN 0.256 nan 8.230 nan 0.000 0.431 357 A N 0.137 122.897 122.820 -0.101 0.000 1.883 357 A HA -0.232 4.082 4.320 -0.009 0.000 0.217 357 A C 2.063 179.609 177.584 -0.064 0.000 1.186 357 A CA 2.059 54.035 52.037 -0.101 0.000 0.624 357 A CB -0.648 18.252 19.000 -0.167 0.000 0.822 357 A HN 0.464 nan 8.150 nan 0.000 0.444 358 N N 0.352 119.014 118.700 -0.062 0.000 2.120 358 N HA -0.176 4.559 4.740 -0.009 0.000 0.188 358 N C 1.678 177.183 175.510 -0.008 0.000 1.024 358 N CA 1.684 54.714 53.050 -0.034 0.000 0.852 358 N CB -0.503 37.971 38.487 -0.022 0.000 1.003 358 N HN 0.871 nan 8.380 nan 0.000 0.424 359 E N 0.720 120.920 120.200 -0.000 0.000 2.418 359 E HA -0.073 4.272 4.350 -0.009 0.000 0.197 359 E C 1.019 177.628 176.600 0.016 0.000 1.026 359 E CA 0.901 57.309 56.400 0.013 0.000 0.862 359 E CB -0.028 29.685 29.700 0.021 0.000 0.799 359 E HN 0.248 nan 8.360 nan 0.000 0.518 360 K N -0.185 120.221 120.400 0.010 0.000 2.354 360 K HA 0.166 4.480 4.320 -0.009 0.000 0.194 360 K C 0.834 177.446 176.600 0.019 0.000 1.038 360 K CA 0.394 56.693 56.287 0.020 0.000 1.052 360 K CB 0.904 33.418 32.500 0.024 0.000 0.861 360 K HN 0.257 nan 8.250 nan 0.000 0.535 361 G N 2.167 110.973 108.800 0.009 0.000 2.160 361 G HA2 -0.245 3.710 3.960 -0.009 0.000 0.244 361 G HA3 -0.245 3.710 3.960 -0.009 0.000 0.244 361 G C -0.061 174.847 174.900 0.013 0.000 1.022 361 G CA -0.226 44.880 45.100 0.010 0.000 0.741 361 G HN 0.204 nan 8.290 nan 0.000 0.508 362 I N 0.698 121.270 120.570 0.003 0.000 2.342 362 I HA 0.307 4.471 4.170 -0.009 0.000 0.291 362 I C 0.997 177.106 176.117 -0.012 0.000 1.010 362 I CA -1.050 60.256 61.300 0.010 0.000 1.308 362 I CB 1.629 39.629 38.000 0.001 0.000 1.400 362 I HN -0.125 nan 8.210 nan 0.000 0.488 363 V N 7.216 127.137 119.914 0.011 0.000 2.479 363 V HA 0.018 4.133 4.120 -0.009 0.000 0.281 363 V C 0.061 176.150 176.094 -0.009 0.000 1.031 363 V CA -0.055 62.249 62.300 0.006 0.000 1.038 363 V CB 0.986 32.829 31.823 0.032 0.000 0.981 363 V HN 0.369 nan 8.190 nan 0.000 0.478 364 L N 6.600 127.783 121.223 -0.066 0.000 2.307 364 L HA 0.616 4.951 4.340 -0.009 0.000 0.284 364 L C -0.282 176.588 176.870 -0.000 0.000 1.023 364 L CA 0.281 55.041 54.840 -0.134 0.000 0.810 364 L CB 1.541 43.347 42.059 -0.422 0.000 1.231 364 L HN 0.701 nan 8.230 nan 0.000 0.423 365 N N 2.144 120.959 118.700 0.192 0.000 2.380 365 N HA 0.903 5.637 4.740 -0.009 0.000 0.290 365 N C -0.918 174.969 175.510 0.628 0.000 1.236 365 N CA -0.479 52.838 53.050 0.445 0.000 0.780 365 N CB 2.102 40.813 38.487 0.374 0.000 1.438 365 N HN 0.769 nan 8.380 nan 0.000 0.491 366 G N -0.904 108.265 108.800 0.615 0.000 2.672 366 G HA2 0.642 4.597 3.960 -0.009 0.000 0.292 366 G HA3 0.642 4.597 3.960 -0.009 0.000 0.292 366 G C -1.804 173.213 174.900 0.194 0.000 1.375 366 G CA -0.642 44.728 45.100 0.450 0.000 0.890 366 G HN 0.651 nan 8.290 nan 0.000 0.476 367 E N 0.086 120.341 120.200 0.091 0.000 2.366 367 E HA 0.319 4.664 4.350 -0.009 0.000 0.278 367 E C -0.875 175.760 176.600 0.058 0.000 0.923 367 E CA -1.107 55.210 56.400 -0.138 0.000 0.761 367 E CB 1.769 31.374 29.700 -0.158 0.000 1.231 367 E HN 0.540 nan 8.360 nan 0.000 0.443 368 N N 1.235 120.011 118.700 0.127 0.000 2.453 368 N HA 0.058 4.793 4.740 -0.009 0.000 0.253 368 N C 0.401 175.945 175.510 0.058 0.000 1.252 368 N CA 0.371 53.528 53.050 0.179 0.000 0.917 368 N CB 1.467 40.122 38.487 0.280 0.000 1.117 368 N HN 0.620 nan 8.380 nan 0.000 0.442 369 A N 2.045 124.885 122.820 0.035 0.000 1.874 369 A HA 0.172 4.486 4.320 -0.009 0.000 0.214 369 A C 1.107 178.706 177.584 0.024 0.000 1.189 369 A CA 0.638 52.685 52.037 0.017 0.000 0.615 369 A CB -0.142 18.867 19.000 0.014 0.000 0.830 369 A HN 0.648 nan 8.150 nan 0.000 0.443 370 L N -1.389 119.848 121.223 0.022 0.000 2.256 370 L HA 0.384 4.719 4.340 -0.009 0.000 0.261 370 L C -0.078 176.815 176.870 0.038 0.000 1.022 370 L CA -0.993 53.857 54.840 0.016 0.000 0.828 370 L CB 1.926 43.976 42.059 -0.015 0.000 1.374 370 L HN 0.017 nan 8.230 nan 0.000 0.436 371 S N 1.005 116.725 115.700 0.034 0.000 2.552 371 S HA 0.237 4.702 4.470 -0.009 0.000 0.289 371 S C -0.183 174.439 174.600 0.036 0.000 1.304 371 S CA -0.075 58.154 58.200 0.049 0.000 1.063 371 S CB -0.047 63.176 63.200 0.038 0.000 0.848 371 S HN 0.233 nan 8.310 nan 0.000 0.499 372 I N 2.801 123.404 120.570 0.056 0.000 2.307 372 I HA 0.270 4.435 4.170 -0.009 0.000 0.289 372 I C 1.330 177.396 176.117 -0.086 0.000 1.021 372 I CA -0.266 61.022 61.300 -0.020 0.000 1.224 372 I CB 1.175 39.179 38.000 0.007 0.000 1.376 372 I HN 0.852 nan 8.210 nan 0.000 0.470 373 G N 5.314 114.057 108.800 -0.095 0.000 2.545 373 G HA2 -0.061 3.894 3.960 -0.009 0.000 0.212 373 G HA3 -0.061 3.894 3.960 -0.009 0.000 0.212 373 G C 0.437 175.258 174.900 -0.132 0.000 1.144 373 G CA 0.052 45.103 45.100 -0.083 0.000 0.813 373 G HN 0.640 nan 8.290 nan 0.000 0.531 374 N N -1.032 117.563 118.700 -0.175 0.000 2.483 374 N HA 0.246 4.981 4.740 -0.009 0.000 0.285 374 N C 0.640 175.967 175.510 -0.305 0.000 1.210 374 N CA -0.668 52.277 53.050 -0.175 0.000 0.931 374 N CB 1.432 39.858 38.487 -0.102 0.000 1.220 374 N HN -0.025 nan 8.380 nan 0.000 0.542 375 E N -0.824 119.260 120.200 -0.193 0.000 2.216 375 E HA -0.124 4.220 4.350 -0.009 0.000 0.192 375 E C 0.419 176.975 176.600 -0.073 0.000 0.988 375 E CA 0.591 56.907 56.400 -0.141 0.000 0.834 375 E CB 0.126 29.821 29.700 -0.007 0.000 0.772 375 E HN 0.547 nan 8.360 nan 0.000 0.479 376 E N 0.691 120.849 120.200 -0.070 0.000 2.265 376 E HA -0.179 4.166 4.350 -0.009 0.000 0.196 376 E C 1.640 178.212 176.600 -0.046 0.000 0.996 376 E CA 0.808 57.185 56.400 -0.040 0.000 0.832 376 E CB 0.036 29.715 29.700 -0.034 0.000 0.756 376 E HN 0.362 nan 8.360 nan 0.000 0.491 377 E N -0.490 119.658 120.200 -0.087 0.000 2.112 377 E HA -0.116 4.228 4.350 -0.009 0.000 0.190 377 E C 1.675 178.285 176.600 0.017 0.000 0.979 377 E CA 0.491 56.854 56.400 -0.062 0.000 0.814 377 E CB -0.079 29.562 29.700 -0.098 0.000 0.762 377 E HN 0.208 nan 8.360 nan 0.000 0.460 378 Y N 1.237 121.493 120.300 -0.073 0.000 2.181 378 Y HA -0.138 4.408 4.550 -0.007 0.000 0.288 378 Y C 1.863 177.640 175.900 -0.205 0.000 1.146 378 Y CA 0.930 58.946 58.100 -0.139 0.000 1.164 378 Y CB -0.342 38.061 38.460 -0.095 0.000 0.982 378 Y HN -0.021 nan 8.280 nan 0.000 0.515 379 K N -0.169 120.250 120.400 0.032 0.000 2.147 379 K HA -0.151 4.164 4.320 -0.009 0.000 0.205 379 K C 2.126 178.673 176.600 -0.089 0.000 1.049 379 K CA 1.091 57.355 56.287 -0.039 0.000 0.936 379 K CB -0.140 32.355 32.500 -0.008 0.000 0.722 379 K HN 0.314 nan 8.250 nan 0.000 0.446 380 R N 0.477 120.928 120.500 -0.081 0.000 2.090 380 R HA -0.049 4.286 4.340 -0.009 0.000 0.228 380 R C 2.323 178.506 176.300 -0.196 0.000 1.110 380 R CA 0.919 56.957 56.100 -0.102 0.000 0.973 380 R CB -0.378 29.879 30.300 -0.072 0.000 0.869 380 R HN 0.009 nan 8.270 nan 0.000 0.440 381 V N 1.309 121.063 119.914 -0.268 0.000 2.307 381 V HA -0.205 3.909 4.120 -0.009 0.000 0.245 381 V C 2.558 178.259 176.094 -0.655 0.000 1.045 381 V CA 1.878 63.886 62.300 -0.486 0.000 1.024 381 V CB -0.757 30.651 31.823 -0.692 0.000 0.651 381 V HN 0.347 nan 8.190 nan 0.000 0.449 382 A N -0.271 122.182 122.820 -0.611 0.000 1.917 382 A HA -0.321 3.993 4.320 -0.009 0.000 0.219 382 A C 2.301 179.553 177.584 -0.554 0.000 1.182 382 A CA 2.266 53.847 52.037 -0.760 0.000 0.633 382 A CB -0.559 18.227 19.000 -0.356 0.000 0.819 382 A HN 0.656 nan 8.150 nan 0.000 0.448 383 E N -1.105 118.914 120.200 -0.301 0.000 2.051 383 E HA -0.212 4.133 4.350 -0.009 0.000 0.192 383 E C 2.006 178.494 176.600 -0.186 0.000 0.991 383 E CA 1.529 57.816 56.400 -0.187 0.000 0.799 383 E CB -0.177 29.483 29.700 -0.067 0.000 0.748 383 E HN 0.467 nan 8.360 nan 0.000 0.449 384 M N 0.588 120.058 119.600 -0.216 0.000 2.077 384 M HA -0.067 4.407 4.480 -0.009 0.000 0.261 384 M C 2.473 178.685 176.300 -0.147 0.000 1.070 384 M CA 1.530 56.752 55.300 -0.131 0.000 1.125 384 M CB -1.404 31.016 32.600 -0.300 0.000 1.339 384 M HN 0.226 nan 8.290 nan 0.000 0.409 385 A N -0.022 122.465 122.820 -0.554 0.000 1.851 385 A HA -0.159 4.156 4.320 -0.009 0.000 0.216 385 A C 2.050 179.552 177.584 -0.135 0.000 1.195 385 A CA 1.610 53.334 52.037 -0.521 0.000 0.622 385 A CB -1.275 17.175 19.000 -0.917 0.000 0.831 385 A HN 0.490 nan 8.150 nan 0.000 0.444 386 F N -0.533 119.298 119.950 -0.199 0.000 2.748 386 F HA 0.007 4.530 4.527 -0.006 0.000 0.299 386 F C 2.037 177.723 175.800 -0.190 0.000 1.154 386 F CA 0.236 58.101 58.000 -0.226 0.000 1.446 386 F CB 0.035 38.842 39.000 -0.322 0.000 1.112 386 F HN 0.263 nan 8.300 nan 0.000 0.584 387 N N -1.421 117.251 118.700 -0.047 0.000 2.332 387 N HA 0.011 4.746 4.740 -0.009 0.000 0.190 387 N C 0.218 175.543 175.510 -0.308 0.000 1.117 387 N CA 0.456 53.327 53.050 -0.298 0.000 0.883 387 N CB 0.320 38.318 38.487 -0.815 0.000 1.089 387 N HN 0.271 nan 8.380 nan 0.000 0.480 388 Y N 0.801 121.142 120.300 0.069 0.000 2.681 388 Y HA 0.249 4.794 4.550 -0.009 0.000 0.267 388 Y C 0.228 176.167 175.900 0.066 0.000 1.166 388 Y CA -0.503 57.669 58.100 0.120 0.000 1.209 388 Y CB -0.029 38.564 38.460 0.222 0.000 1.161 388 Y HN -0.101 nan 8.280 nan 0.000 0.534 389 N N 0.055 118.860 118.700 0.175 0.000 2.780 389 N HA -0.230 4.504 4.740 -0.009 0.000 0.248 389 N C -1.125 174.442 175.510 0.095 0.000 1.102 389 N CA 0.212 53.325 53.050 0.106 0.000 0.697 389 N CB -1.711 36.788 38.487 0.020 0.000 1.028 389 N HN 0.174 nan 8.380 nan 0.000 0.554 390 F N 0.070 120.104 119.950 0.140 0.000 2.504 390 F HA 0.347 4.868 4.527 -0.011 0.000 0.369 390 F C 1.783 177.737 175.800 0.257 0.000 1.082 390 F CA 0.373 58.484 58.000 0.185 0.000 1.216 390 F CB 0.620 39.734 39.000 0.190 0.000 1.108 390 F HN 0.217 nan 8.300 nan 0.000 0.554 391 A N 3.004 126.005 122.820 0.302 0.000 2.016 391 A HA 0.417 4.731 4.320 -0.009 0.000 0.217 391 A C 1.155 178.856 177.584 0.194 0.000 1.162 391 A CA 1.175 53.351 52.037 0.231 0.000 0.662 391 A CB -0.567 18.514 19.000 0.134 0.000 0.812 391 A HN 0.840 nan 8.150 nan 0.000 0.450 392 G N -2.524 106.440 108.800 0.274 0.000 2.660 392 G HA2 0.493 4.447 3.960 -0.009 0.000 0.290 392 G HA3 0.493 4.447 3.960 -0.009 0.000 0.290 392 G C -1.678 173.399 174.900 0.295 0.000 1.432 392 G CA -0.468 44.661 45.100 0.049 0.000 0.807 392 G HN 0.453 nan 8.290 nan 0.000 0.485 393 F N 0.870 120.791 119.950 -0.049 0.000 2.573 393 F HA 0.670 5.191 4.527 -0.011 0.000 0.316 393 F C -0.529 175.374 175.800 0.172 0.000 1.148 393 F CA -0.538 57.531 58.000 0.116 0.000 0.940 393 F CB 2.295 41.366 39.000 0.118 0.000 1.214 393 F HN 0.454 nan 8.300 nan 0.000 0.448 394 T N 7.202 121.367 114.554 -0.647 0.000 2.771 394 T HA 0.474 4.819 4.350 -0.009 0.000 0.281 394 T C -1.062 173.168 174.700 -0.783 0.000 0.982 394 T CA -0.394 61.471 62.100 -0.391 0.000 0.978 394 T CB 1.211 70.033 68.868 -0.077 0.000 0.930 394 T HN 0.570 nan 8.240 nan 0.000 0.447 395 L N 4.753 125.787 121.223 -0.316 0.000 2.264 395 L HA 0.541 4.876 4.340 -0.009 0.000 0.289 395 L C -1.219 175.625 176.870 -0.044 0.000 1.044 395 L CA -0.557 54.231 54.840 -0.087 0.000 0.807 395 L CB 0.355 42.527 42.059 0.187 0.000 1.192 395 L HN 0.470 nan 8.230 nan 0.000 0.425 396 L N 6.578 127.801 121.223 -0.000 0.000 2.257 396 L HA 0.622 4.956 4.340 -0.009 0.000 0.290 396 L C 0.027 176.936 176.870 0.065 0.000 1.044 396 L CA 0.313 55.163 54.840 0.018 0.000 0.810 396 L CB 0.909 42.976 42.059 0.014 0.000 1.193 396 L HN 0.710 nan 8.230 nan 0.000 0.425 397 R N 1.464 121.994 120.500 0.051 0.000 2.752 397 R HA 0.151 4.486 4.340 -0.009 0.000 0.271 397 R C 0.533 176.852 176.300 0.031 0.000 1.026 397 R CA -0.683 55.439 56.100 0.037 0.000 0.901 397 R CB 0.711 31.047 30.300 0.060 0.000 1.243 397 R HN 0.427 nan 8.270 nan 0.000 0.463 398 Y N 1.800 122.027 120.300 -0.122 0.000 2.012 398 Y HA -0.490 4.054 4.550 -0.010 0.000 0.243 398 Y C 2.244 178.005 175.900 -0.232 0.000 1.237 398 Y CA 3.128 61.123 58.100 -0.175 0.000 1.057 398 Y CB -0.049 38.358 38.460 -0.088 0.000 0.866 398 Y HN 0.663 nan 8.280 nan 0.000 0.511 399 Q N -0.436 119.344 119.800 -0.033 0.000 2.234 399 Q HA -0.205 4.129 4.340 -0.009 0.000 0.206 399 Q C 1.552 177.429 176.000 -0.205 0.000 0.980 399 Q CA 1.811 57.452 55.803 -0.271 0.000 0.869 399 Q CB -0.764 28.072 28.738 0.162 0.000 0.912 399 Q HN 0.578 nan 8.270 nan 0.000 0.436 400 D N 1.543 121.905 120.400 -0.063 0.000 2.104 400 D HA -0.134 4.501 4.640 -0.009 0.000 0.194 400 D C 2.169 178.472 176.300 0.006 0.000 0.994 400 D CA 2.235 56.242 54.000 0.012 0.000 0.830 400 D CB -0.129 40.706 40.800 0.058 0.000 0.959 400 D HN 0.404 nan 8.370 nan 0.000 0.452 401 V N -2.279 117.603 119.914 -0.053 0.000 3.307 401 V HA 0.113 4.227 4.120 -0.009 0.000 0.253 401 V C 2.071 178.123 176.094 -0.069 0.000 1.149 401 V CA 0.299 62.601 62.300 0.003 0.000 1.112 401 V CB -0.189 31.657 31.823 0.038 0.000 0.777 401 V HN -0.083 nan 8.190 nan 0.000 0.464 402 M N 0.921 120.319 119.600 -0.337 0.000 2.175 402 M HA 0.046 4.521 4.480 -0.009 0.000 0.264 402 M C 1.632 177.781 176.300 -0.253 0.000 1.063 402 M CA 1.798 56.820 55.300 -0.463 0.000 1.119 402 M CB -0.748 31.160 32.600 -1.153 0.000 1.377 402 M HN 0.542 nan 8.290 nan 0.000 0.415 403 Y N -1.776 118.525 120.300 0.001 0.000 2.571 403 Y HA 0.319 4.865 4.550 -0.008 0.000 0.275 403 Y C 0.402 176.332 175.900 0.051 0.000 1.179 403 Y CA -0.810 57.305 58.100 0.025 0.000 1.242 403 Y CB 0.201 38.672 38.460 0.020 0.000 1.126 403 Y HN 0.094 nan 8.280 nan 0.000 0.524 404 N N 0.767 119.569 118.700 0.170 0.000 2.640 404 N HA 0.089 4.823 4.740 -0.009 0.000 0.262 404 N C -0.486 175.132 175.510 0.181 0.000 1.174 404 N CA -0.090 53.053 53.050 0.154 0.000 0.791 404 N CB 0.322 38.886 38.487 0.129 0.000 1.279 404 N HN 0.146 nan 8.380 nan 0.000 0.535 405 N N 0.302 119.117 118.700 0.192 0.000 2.149 405 N HA -0.136 4.598 4.740 -0.009 0.000 0.188 405 N C 1.395 177.032 175.510 0.212 0.000 1.019 405 N CA 1.544 54.740 53.050 0.243 0.000 0.857 405 N CB 0.133 38.738 38.487 0.196 0.000 0.997 405 N HN 0.382 nan 8.380 nan 0.000 0.426 406 S N 0.623 116.418 115.700 0.159 0.000 2.353 406 S HA -0.067 4.398 4.470 -0.009 0.000 0.222 406 S C 1.940 176.642 174.600 0.170 0.000 1.035 406 S CA 0.810 59.094 58.200 0.139 0.000 1.025 406 S CB -0.490 62.771 63.200 0.100 0.000 0.902 406 S HN 0.230 nan 8.310 nan 0.000 0.440 407 L N 0.521 121.853 121.223 0.180 0.000 2.012 407 L HA -0.164 4.171 4.340 -0.009 0.000 0.210 407 L C 2.630 179.715 176.870 0.358 0.000 1.073 407 L CA 1.477 56.471 54.840 0.258 0.000 0.748 407 L CB -0.441 41.744 42.059 0.210 0.000 0.891 407 L HN 0.346 nan 8.230 nan 0.000 0.431 408 M N 0.226 119.990 119.600 0.273 0.000 2.106 408 M HA -0.154 4.321 4.480 -0.009 0.000 0.259 408 M C 1.942 178.361 176.300 0.198 0.000 1.068 408 M CA 2.191 57.631 55.300 0.233 0.000 1.100 408 M CB -1.004 31.728 32.600 0.221 0.000 1.351 408 M HN 0.148 nan 8.290 nan 0.000 0.404 409 G N -0.376 108.542 108.800 0.197 0.000 2.408 409 G HA2 -0.171 3.784 3.960 -0.009 0.000 0.217 409 G HA3 -0.171 3.784 3.960 -0.009 0.000 0.217 409 G C 1.594 176.567 174.900 0.122 0.000 1.150 409 G CA 0.629 45.814 45.100 0.142 0.000 0.776 409 G HN 0.341 nan 8.290 nan 0.000 0.542 410 K N 0.108 120.619 120.400 0.185 0.000 2.155 410 K HA 0.073 4.388 4.320 -0.009 0.000 0.203 410 K C 1.937 178.585 176.600 0.079 0.000 1.052 410 K CA 0.228 56.620 56.287 0.174 0.000 0.948 410 K CB -0.695 31.971 32.500 0.276 0.000 0.728 410 K HN 0.407 nan 8.250 nan 0.000 0.448 411 F N 2.436 122.358 119.950 -0.047 0.000 2.102 411 F HA -0.238 4.283 4.527 -0.010 0.000 0.298 411 F C 2.395 178.012 175.800 -0.306 0.000 1.105 411 F CA 1.808 59.572 58.000 -0.394 0.000 1.239 411 F CB -0.060 38.732 39.000 -0.346 0.000 0.991 411 F HN -0.042 nan 8.300 nan 0.000 0.474 412 K N 0.205 120.591 120.400 -0.022 0.000 2.020 412 K HA -0.304 4.011 4.320 -0.009 0.000 0.212 412 K C 1.988 178.480 176.600 -0.180 0.000 1.050 412 K CA 2.277 58.500 56.287 -0.108 0.000 0.929 412 K CB -0.678 31.779 32.500 -0.072 0.000 0.714 412 K HN 0.367 nan 8.250 nan 0.000 0.443 413 D N 0.118 120.443 120.400 -0.125 0.000 2.104 413 D HA -0.163 4.472 4.640 -0.009 0.000 0.194 413 D C 2.014 178.212 176.300 -0.170 0.000 0.994 413 D CA 1.475 55.406 54.000 -0.115 0.000 0.830 413 D CB 0.014 40.783 40.800 -0.052 0.000 0.959 413 D HN 0.295 nan 8.370 nan 0.000 0.452 414 L N -0.941 120.146 121.223 -0.227 0.000 2.102 414 L HA 0.053 4.387 4.340 -0.009 0.000 0.202 414 L C 2.133 178.815 176.870 -0.313 0.000 1.076 414 L CA 0.639 55.332 54.840 -0.245 0.000 0.761 414 L CB -0.080 41.848 42.059 -0.219 0.000 0.921 414 L HN 0.106 nan 8.230 nan 0.000 0.444 415 L N -1.549 119.274 121.223 -0.666 0.000 2.749 415 L HA 0.260 4.595 4.340 -0.009 0.000 0.242 415 L C 1.441 178.024 176.870 -0.478 0.000 1.103 415 L CA -0.041 54.404 54.840 -0.659 0.000 0.906 415 L CB 0.125 41.493 42.059 -1.152 0.000 1.228 415 L HN 0.116 nan 8.230 nan 0.000 0.517 416 G N 1.865 110.297 108.800 -0.613 0.000 3.541 416 G HA2 0.386 4.340 3.960 -0.009 0.000 0.253 416 G HA3 0.386 4.340 3.960 -0.009 0.000 0.253 416 G C 0.013 174.842 174.900 -0.119 0.000 1.017 416 G CA 0.023 44.982 45.100 -0.235 0.000 1.832 416 G HN 0.019 nan 8.290 nan 0.000 0.649 417 V N -2.034 117.861 119.914 -0.031 0.000 2.881 417 V HA 0.824 4.939 4.120 -0.009 0.000 0.316 417 V C -0.082 176.012 176.094 -0.001 0.000 1.070 417 V CA -0.871 61.385 62.300 -0.073 0.000 0.976 417 V CB 1.925 33.620 31.823 -0.214 0.000 1.038 417 V HN 0.032 nan 8.190 nan 0.000 0.446 418 T N 4.012 118.527 114.554 -0.065 0.000 2.756 418 T HA 0.505 4.850 4.350 -0.009 0.000 0.290 418 T C -2.745 171.897 174.700 -0.096 0.000 0.985 418 T CA -0.987 61.082 62.100 -0.051 0.000 0.955 418 T CB 1.237 70.070 68.868 -0.057 0.000 0.930 418 T HN 0.701 nan 8.240 nan 0.000 0.451 419 P HA 0.250 nan 4.420 nan 0.000 0.270 419 P C -0.865 176.371 177.300 -0.106 0.000 1.242 419 P CA -0.289 62.746 63.100 -0.108 0.000 0.768 419 P CB 0.542 32.215 31.700 -0.045 0.000 0.820 420 V N 5.992 125.820 119.914 -0.143 0.000 2.483 420 V HA 0.429 4.543 4.120 -0.009 0.000 0.297 420 V C -0.322 175.696 176.094 -0.127 0.000 1.027 420 V CA -1.146 61.077 62.300 -0.129 0.000 0.855 420 V CB 1.459 33.187 31.823 -0.158 0.000 0.995 420 V HN 0.448 nan 8.190 nan 0.000 0.424 421 M N 6.327 125.878 119.600 -0.082 0.000 2.228 421 M HA 0.414 4.889 4.480 -0.009 0.000 0.351 421 M C -0.538 175.741 176.300 -0.036 0.000 1.233 421 M CA 0.572 55.839 55.300 -0.054 0.000 1.129 421 M CB 0.413 32.996 32.600 -0.027 0.000 1.604 421 M HN 0.707 nan 8.290 nan 0.000 0.457 422 Q N 2.537 122.339 119.800 0.003 0.000 2.544 422 Q HA 0.485 4.820 4.340 -0.009 0.000 0.291 422 Q C -1.356 174.729 176.000 0.143 0.000 1.068 422 Q CA -0.703 55.160 55.803 0.101 0.000 0.785 422 Q CB 2.467 31.288 28.738 0.138 0.000 1.481 422 Q HN 0.636 nan 8.270 nan 0.000 0.430 423 T N 1.461 116.138 114.554 0.205 0.000 2.809 423 T HA 0.458 4.803 4.350 -0.009 0.000 0.296 423 T C 0.028 174.828 174.700 0.167 0.000 1.015 423 T CA -0.468 61.721 62.100 0.148 0.000 0.954 423 T CB 0.404 69.336 68.868 0.106 0.000 0.950 423 T HN 0.244 nan 8.240 nan 0.000 0.450 424 I N 4.197 124.850 120.570 0.140 0.000 2.342 424 I HA 0.387 4.551 4.170 -0.009 0.000 0.291 424 I C -0.015 176.196 176.117 0.157 0.000 1.010 424 I CA -0.579 60.808 61.300 0.144 0.000 1.308 424 I CB 1.150 39.212 38.000 0.103 0.000 1.400 424 I HN 0.314 nan 8.210 nan 0.000 0.488 425 V N 7.202 127.218 119.914 0.171 0.000 2.588 425 V HA 0.513 4.628 4.120 -0.009 0.000 0.304 425 V C -0.348 175.859 176.094 0.189 0.000 1.042 425 V CA -0.794 61.598 62.300 0.153 0.000 0.877 425 V CB 2.753 34.628 31.823 0.088 0.000 0.996 425 V HN 0.488 nan 8.190 nan 0.000 0.425 426 V N 5.794 125.846 119.914 0.231 0.000 2.623 426 V HA 0.641 4.755 4.120 -0.009 0.000 0.304 426 V C -0.643 175.626 176.094 0.292 0.000 1.054 426 V CA -0.401 62.056 62.300 0.261 0.000 0.882 426 V CB 1.873 33.883 31.823 0.312 0.000 1.002 426 V HN 0.959 nan 8.190 nan 0.000 0.424 427 K N 4.121 124.666 120.400 0.241 0.000 2.295 427 K HA 0.641 4.955 4.320 -0.009 0.000 0.239 427 K C 0.233 176.977 176.600 0.241 0.000 0.991 427 K CA -0.523 55.903 56.287 0.231 0.000 0.845 427 K CB 1.499 34.085 32.500 0.144 0.000 1.197 427 K HN 0.788 nan 8.250 nan 0.000 0.441 428 N N -1.204 117.619 118.700 0.206 0.000 2.901 428 N HA -0.183 4.551 4.740 -0.009 0.000 0.248 428 N C -0.383 175.169 175.510 0.069 0.000 1.044 428 N CA 0.551 53.692 53.050 0.152 0.000 0.847 428 N CB -1.438 37.147 38.487 0.164 0.000 1.127 428 N HN 0.386 nan 8.380 nan 0.000 0.562 429 V N -1.439 118.473 119.914 -0.004 0.000 2.614 429 V HA 0.466 4.581 4.120 -0.009 0.000 0.291 429 V C -1.864 173.906 176.094 -0.541 0.000 1.049 429 V CA -1.165 60.795 62.300 -0.567 0.000 1.038 429 V CB 1.158 32.556 31.823 -0.708 0.000 0.980 429 V HN -0.080 nan 8.190 nan 0.000 0.481 430 P HA 0.219 nan 4.420 nan 0.000 0.225 430 P C -0.116 176.950 177.300 -0.391 0.000 1.768 430 P CA 0.147 62.989 63.100 -0.429 0.000 0.943 430 P CB -0.485 30.999 31.700 -0.361 0.000 1.936 431 T N 0.738 115.081 114.554 -0.351 0.000 2.832 431 T HA 0.343 4.687 4.350 -0.009 0.000 0.296 431 T C 0.845 175.445 174.700 -0.167 0.000 0.968 431 T CA 0.089 62.017 62.100 -0.287 0.000 1.107 431 T CB 0.419 69.137 68.868 -0.250 0.000 0.916 431 T HN 0.254 nan 8.240 nan 0.000 0.517 432 T N 0.400 114.868 114.554 -0.143 0.000 2.804 432 T HA 0.597 4.941 4.350 -0.009 0.000 0.272 432 T C 0.226 174.883 174.700 -0.072 0.000 0.986 432 T CA -1.071 60.971 62.100 -0.096 0.000 0.999 432 T CB 0.661 69.480 68.868 -0.081 0.000 1.307 432 T HN 0.262 nan 8.240 nan 0.000 0.586 433 I N 1.832 122.370 120.570 -0.053 0.000 2.752 433 I HA 0.277 4.441 4.170 -0.009 0.000 0.286 433 I C 1.790 177.891 176.117 -0.028 0.000 1.180 433 I CA 1.663 62.942 61.300 -0.035 0.000 1.404 433 I CB -0.391 37.593 38.000 -0.027 0.000 1.389 433 I HN 1.224 nan 8.210 nan 0.000 0.549 434 G N 5.559 114.349 108.800 -0.017 0.000 2.194 434 G HA2 -0.200 3.755 3.960 -0.009 0.000 0.236 434 G HA3 -0.200 3.755 3.960 -0.009 0.000 0.236 434 G C 0.050 174.937 174.900 -0.022 0.000 0.987 434 G CA -0.365 44.730 45.100 -0.009 0.000 0.635 434 G HN 0.521 nan 8.290 nan 0.000 0.520 435 D N 1.841 122.208 120.400 -0.054 0.000 2.308 435 D HA 0.552 5.186 4.640 -0.009 0.000 0.251 435 D C 0.582 176.788 176.300 -0.156 0.000 1.127 435 D CA 0.672 54.604 54.000 -0.114 0.000 0.876 435 D CB 1.243 41.934 40.800 -0.182 0.000 1.176 435 D HN 0.239 nan 8.370 nan 0.000 0.446 436 T N 0.056 114.500 114.554 -0.184 0.000 2.888 436 T HA 0.569 4.913 4.350 -0.009 0.000 0.284 436 T C 0.004 174.375 174.700 -0.549 0.000 1.017 436 T CA -0.851 61.073 62.100 -0.294 0.000 1.022 436 T CB 1.648 70.458 68.868 -0.097 0.000 1.013 436 T HN -0.021 nan 8.240 nan 0.000 0.465 437 V N 2.553 121.907 119.914 -0.933 0.000 2.459 437 V HA 0.586 4.700 4.120 -0.009 0.000 0.295 437 V C -1.214 174.402 176.094 -0.796 0.000 1.029 437 V CA -0.682 61.089 62.300 -0.882 0.000 0.874 437 V CB 0.841 31.913 31.823 -1.252 0.000 0.985 437 V HN 0.841 nan 8.190 nan 0.000 0.438 438 Y N 4.089 123.938 120.300 -0.751 0.000 2.698 438 Y HA 0.797 5.342 4.550 -0.009 0.000 0.332 438 Y C 0.048 175.608 175.900 -0.566 0.000 1.119 438 Y CA -1.069 56.596 58.100 -0.726 0.000 1.109 438 Y CB 2.028 39.837 38.460 -1.086 0.000 1.308 438 Y HN 0.629 nan 8.280 nan 0.000 0.499 439 I N -1.420 119.127 120.570 -0.038 0.000 2.802 439 I HA 0.882 5.046 4.170 -0.009 0.000 0.298 439 I C -1.073 175.229 176.117 0.307 0.000 1.176 439 I CA -0.538 60.873 61.300 0.185 0.000 1.025 439 I CB 2.604 40.714 38.000 0.182 0.000 1.243 439 I HN 0.562 nan 8.210 nan 0.000 0.424 440 T N 2.234 117.040 114.554 0.420 0.000 2.821 440 T HA 0.892 5.237 4.350 -0.009 0.000 0.306 440 T C -0.711 173.990 174.700 0.002 0.000 1.313 440 T CA -0.029 62.239 62.100 0.281 0.000 1.012 440 T CB 1.883 71.035 68.868 0.474 0.000 1.298 440 T HN 1.364 nan 8.240 nan 0.000 0.502 441 G N 1.280 109.771 108.800 -0.516 0.000 2.548 441 G HA2 0.383 4.338 3.960 -0.009 0.000 0.301 441 G HA3 0.383 4.338 3.960 -0.009 0.000 0.301 441 G C 0.395 174.342 174.900 -1.588 0.000 1.349 441 G CA 0.109 44.438 45.100 -1.285 0.000 0.792 441 G HN 0.728 nan 8.290 nan 0.000 0.481 442 N N -0.223 117.733 118.700 -1.240 0.000 2.104 442 N HA -0.095 4.640 4.740 -0.009 0.000 0.190 442 N C 0.858 176.194 175.510 -0.290 0.000 1.024 442 N CA 0.904 53.612 53.050 -0.570 0.000 0.853 442 N CB -0.297 38.182 38.487 -0.014 0.000 1.008 442 N HN 0.511 nan 8.380 nan 0.000 0.424 443 R N -0.340 120.012 120.500 -0.246 0.000 2.582 443 R HA 0.407 4.742 4.340 -0.009 0.000 0.271 443 R C 1.199 177.406 176.300 -0.155 0.000 1.078 443 R CA 0.194 56.194 56.100 -0.167 0.000 1.127 443 R CB 0.480 30.674 30.300 -0.178 0.000 1.038 443 R HN 0.271 nan 8.270 nan 0.000 0.500 444 A N 2.174 124.947 122.820 -0.078 0.000 2.076 444 A HA -0.185 4.129 4.320 -0.009 0.000 0.220 444 A C 1.585 179.145 177.584 -0.041 0.000 1.160 444 A CA 1.500 53.524 52.037 -0.022 0.000 0.653 444 A CB -0.234 18.800 19.000 0.056 0.000 0.801 444 A HN 0.781 nan 8.150 nan 0.000 0.455 445 E N -0.384 119.721 120.200 -0.157 0.000 2.208 445 E HA -0.004 4.341 4.350 -0.009 0.000 0.193 445 E C 1.291 177.768 176.600 -0.205 0.000 0.988 445 E CA 0.695 56.924 56.400 -0.285 0.000 0.828 445 E CB -0.157 29.242 29.700 -0.501 0.000 0.763 445 E HN 0.625 nan 8.360 nan 0.000 0.478 446 L N -1.023 120.084 121.223 -0.193 0.000 2.653 446 L HA 0.297 4.632 4.340 -0.009 0.000 0.231 446 L C 1.083 177.899 176.870 -0.090 0.000 1.153 446 L CA 0.224 54.964 54.840 -0.167 0.000 0.933 446 L CB 0.308 42.222 42.059 -0.241 0.000 1.175 446 L HN 0.304 nan 8.230 nan 0.000 0.473 447 G N -1.119 107.648 108.800 -0.055 0.000 2.157 447 G HA2 -0.318 3.637 3.960 -0.009 0.000 0.248 447 G HA3 -0.318 3.637 3.960 -0.009 0.000 0.248 447 G C 0.583 175.547 174.900 0.106 0.000 0.979 447 G CA 0.100 45.246 45.100 0.075 0.000 0.650 447 G HN 0.219 nan 8.290 nan 0.000 0.529 448 S N -1.611 114.060 115.700 -0.047 0.000 3.550 448 S HA -0.271 4.193 4.470 -0.009 0.000 0.372 448 S C 1.085 175.763 174.600 0.130 0.000 0.966 448 S CA 1.652 59.828 58.200 -0.040 0.000 1.229 448 S CB -1.969 61.278 63.200 0.078 0.000 0.917 448 S HN 1.811 nan 8.310 nan 0.000 0.496 449 W N -1.464 119.918 121.300 0.136 0.000 3.520 449 W HA -0.229 4.428 4.660 -0.005 0.000 0.305 449 W C 0.265 176.856 176.519 0.120 0.000 1.150 449 W CA 0.667 58.094 57.345 0.136 0.000 0.656 449 W CB -1.477 28.017 29.460 0.057 0.000 2.198 449 W HN 0.686 nan 8.180 nan 0.000 1.417 450 D N 1.006 121.579 120.400 0.288 0.000 2.277 450 D HA 0.164 4.799 4.640 -0.009 0.000 0.249 450 D C 1.318 177.683 176.300 0.108 0.000 1.134 450 D CA 1.026 55.121 54.000 0.159 0.000 0.863 450 D CB 1.345 42.203 40.800 0.097 0.000 1.143 450 D HN 0.087 nan 8.370 nan 0.000 0.458 451 T N 1.101 115.640 114.554 -0.025 0.000 3.022 451 T HA 0.001 4.346 4.350 -0.009 0.000 0.250 451 T C 1.530 176.155 174.700 -0.124 0.000 1.060 451 T CA -0.095 61.901 62.100 -0.172 0.000 1.013 451 T CB 0.560 69.042 68.868 -0.643 0.000 0.982 451 T HN 0.216 nan 8.240 nan 0.000 0.508 452 K N 2.333 122.662 120.400 -0.118 0.000 1.967 452 K HA -0.091 4.224 4.320 -0.009 0.000 0.212 452 K C 2.162 178.672 176.600 -0.150 0.000 1.044 452 K CA 2.058 58.265 56.287 -0.134 0.000 0.942 452 K CB -0.175 32.245 32.500 -0.134 0.000 0.726 452 K HN 0.697 nan 8.250 nan 0.000 0.440 453 Q N -2.302 117.357 119.800 -0.235 0.000 2.164 453 Q HA 0.086 4.420 4.340 -0.009 0.000 0.226 453 Q C 0.450 176.414 176.000 -0.060 0.000 0.813 453 Q CA -0.075 55.598 55.803 -0.218 0.000 0.978 453 Q CB 0.435 28.986 28.738 -0.312 0.000 1.149 453 Q HN 0.178 nan 8.270 nan 0.000 0.489 454 Y N 1.168 121.466 120.300 -0.005 0.000 2.500 454 Y HA 0.387 4.933 4.550 -0.008 0.000 0.246 454 Y C -1.996 173.927 175.900 0.038 0.000 1.146 454 Y CA -2.538 55.559 58.100 -0.004 0.000 1.230 454 Y CB -0.330 38.131 38.460 0.001 0.000 1.214 454 Y HN 0.087 nan 8.280 nan 0.000 0.526 455 P HA 0.032 nan 4.420 nan 0.000 0.269 455 P C -0.245 177.198 177.300 0.239 0.000 1.215 455 P CA 0.297 63.544 63.100 0.245 0.000 0.780 455 P CB 1.502 33.380 31.700 0.298 0.000 0.898 456 I N 1.675 122.357 120.570 0.188 0.000 2.325 456 I HA 0.190 4.354 4.170 -0.009 0.000 0.291 456 I C 1.145 177.298 176.117 0.061 0.000 1.019 456 I CA -0.123 61.242 61.300 0.108 0.000 1.302 456 I CB 0.511 38.528 38.000 0.028 0.000 1.401 456 I HN 0.332 nan 8.210 nan 0.000 0.485 457 Q N 6.271 126.039 119.800 -0.054 0.000 2.295 457 Q HA 0.427 4.761 4.340 -0.009 0.000 0.259 457 Q C -1.034 174.632 176.000 -0.557 0.000 0.976 457 Q CA -0.314 55.188 55.803 -0.501 0.000 0.923 457 Q CB 0.742 29.122 28.738 -0.597 0.000 1.185 457 Q HN 0.602 nan 8.270 nan 0.000 0.410 458 L N 3.701 124.614 121.223 -0.515 0.000 2.431 458 L HA 0.455 4.789 4.340 -0.009 0.000 0.260 458 L C -0.778 175.890 176.870 -0.337 0.000 1.098 458 L CA -0.860 53.837 54.840 -0.238 0.000 0.800 458 L CB 0.716 42.816 42.059 0.068 0.000 1.210 458 L HN 0.685 nan 8.230 nan 0.000 0.465 459 Y N -1.212 119.221 120.300 0.222 0.000 2.536 459 Y HA 0.280 4.824 4.550 -0.011 0.000 0.347 459 Y C -0.687 175.025 175.900 -0.313 0.000 1.000 459 Y CA -0.657 57.476 58.100 0.054 0.000 1.051 459 Y CB 1.585 40.030 38.460 -0.026 0.000 1.259 459 Y HN 0.251 nan 8.280 nan 0.000 0.468 460 Y N 2.560 122.328 120.300 -0.887 0.000 2.452 460 Y HA 0.193 4.738 4.550 -0.007 0.000 0.348 460 Y C -0.185 175.398 175.900 -0.528 0.000 0.985 460 Y CA -0.991 56.359 58.100 -1.249 0.000 1.214 460 Y CB 0.310 37.812 38.460 -1.596 0.000 1.136 460 Y HN 0.529 nan 8.280 nan 0.000 0.523 461 D N 3.843 123.757 120.400 -0.810 0.000 2.453 461 D HA 0.043 4.678 4.640 -0.009 0.000 0.223 461 D C 0.984 176.780 176.300 -0.840 0.000 1.183 461 D CA 0.295 53.969 54.000 -0.543 0.000 0.933 461 D CB 0.594 41.226 40.800 -0.280 0.000 1.038 461 D HN 0.669 nan 8.370 nan 0.000 0.513 462 S N 2.753 117.986 115.700 -0.779 0.000 2.400 462 S HA -0.252 4.213 4.470 -0.009 0.000 0.232 462 S C 1.403 175.725 174.600 -0.463 0.000 1.025 462 S CA 0.976 58.789 58.200 -0.646 0.000 0.993 462 S CB -0.619 62.341 63.200 -0.400 0.000 0.808 462 S HN 0.633 nan 8.310 nan 0.000 0.478 463 H N 1.805 120.732 119.070 -0.239 0.000 2.561 463 H HA 0.180 4.732 4.556 -0.007 0.000 0.278 463 H C 1.759 176.996 175.328 -0.151 0.000 1.014 463 H CA 0.998 56.954 56.048 -0.154 0.000 1.211 463 H CB -0.067 29.620 29.762 -0.125 0.000 1.365 463 H HN 0.693 nan 8.280 nan 0.000 0.594 464 S N -1.385 114.239 115.700 -0.127 0.000 2.911 464 S HA 0.028 4.493 4.470 -0.009 0.000 0.261 464 S C -0.047 174.443 174.600 -0.182 0.000 1.021 464 S CA -0.713 57.418 58.200 -0.116 0.000 1.222 464 S CB -0.059 63.086 63.200 -0.090 0.000 1.171 464 S HN 0.336 nan 8.310 nan 0.000 0.669 465 N N 3.666 122.165 118.700 -0.336 0.000 2.666 465 N HA -0.137 4.598 4.740 -0.009 0.000 0.274 465 N C -0.985 174.382 175.510 -0.238 0.000 1.043 465 N CA 2.024 54.847 53.050 -0.379 0.000 0.782 465 N CB -0.893 37.579 38.487 -0.025 0.000 0.912 465 N HN 0.944 nan 8.380 nan 0.000 0.556 466 D N -1.367 118.716 120.400 -0.528 0.000 2.768 466 D HA 0.473 5.107 4.640 -0.009 0.000 0.327 466 D C -1.107 175.043 176.300 -0.250 0.000 1.302 466 D CA -0.518 53.415 54.000 -0.112 0.000 0.897 466 D CB 0.181 40.974 40.800 -0.012 0.000 1.420 466 D HN 0.076 nan 8.370 nan 0.000 0.494 467 W N 0.461 121.826 121.300 0.108 0.000 2.587 467 W HA 0.675 5.329 4.660 -0.010 0.000 0.324 467 W C 0.612 177.173 176.519 0.071 0.000 1.040 467 W CA -0.448 56.964 57.345 0.111 0.000 1.222 467 W CB 1.645 31.170 29.460 0.108 0.000 1.381 467 W HN 0.588 nan 8.180 nan 0.000 0.483 468 R N 1.875 122.511 120.500 0.226 0.000 2.756 468 R HA 0.931 5.266 4.340 -0.009 0.000 0.273 468 R C -0.888 175.513 176.300 0.168 0.000 1.030 468 R CA -1.128 55.073 56.100 0.169 0.000 0.887 468 R CB 1.419 31.775 30.300 0.094 0.000 1.274 468 R HN 0.688 nan 8.270 nan 0.000 0.461 469 G N 0.171 109.055 108.800 0.141 0.000 2.519 469 G HA2 0.246 4.200 3.960 -0.009 0.000 0.292 469 G HA3 0.246 4.200 3.960 -0.009 0.000 0.292 469 G C -1.891 173.073 174.900 0.107 0.000 1.507 469 G CA -0.895 44.297 45.100 0.152 0.000 0.806 469 G HN 0.427 nan 8.290 nan 0.000 0.523 470 N N 0.075 118.834 118.700 0.098 0.000 2.422 470 N HA 0.536 5.271 4.740 -0.009 0.000 0.266 470 N C -0.586 174.951 175.510 0.045 0.000 1.007 470 N CA -0.071 53.016 53.050 0.062 0.000 0.941 470 N CB 2.047 40.559 38.487 0.042 0.000 1.115 470 N HN 0.319 nan 8.380 nan 0.000 0.492 471 V N 1.952 121.880 119.914 0.023 0.000 2.656 471 V HA 0.358 4.473 4.120 -0.009 0.000 0.307 471 V C 0.183 176.245 176.094 -0.054 0.000 1.051 471 V CA -0.985 61.303 62.300 -0.018 0.000 0.893 471 V CB 2.178 33.975 31.823 -0.043 0.000 0.999 471 V HN 0.227 nan 8.190 nan 0.000 0.426 472 V N 5.687 125.553 119.914 -0.080 0.000 2.408 472 V HA 0.405 4.520 4.120 -0.009 0.000 0.267 472 V C -0.199 175.784 176.094 -0.185 0.000 1.047 472 V CA -0.136 62.094 62.300 -0.116 0.000 0.937 472 V CB 0.803 32.566 31.823 -0.099 0.000 0.999 472 V HN 0.540 nan 8.190 nan 0.000 0.472 473 L N 7.742 128.835 121.223 -0.217 0.000 2.303 473 L HA 0.658 4.993 4.340 -0.009 0.000 0.266 473 L C -2.324 174.358 176.870 -0.313 0.000 1.011 473 L CA -2.213 52.457 54.840 -0.283 0.000 0.818 473 L CB 2.162 44.045 42.059 -0.292 0.000 1.326 473 L HN 0.369 nan 8.230 nan 0.000 0.435 474 P HA 0.193 nan 4.420 nan 0.000 0.280 474 P C -0.891 176.242 177.300 -0.279 0.000 1.300 474 P CA -0.351 62.548 63.100 -0.336 0.000 0.785 474 P CB 0.805 32.276 31.700 -0.381 0.000 0.874 475 A N 4.098 126.774 122.820 -0.240 0.000 2.498 475 A HA 0.036 4.351 4.320 -0.009 0.000 0.239 475 A C 0.871 178.341 177.584 -0.189 0.000 1.068 475 A CA 0.070 51.973 52.037 -0.223 0.000 0.766 475 A CB -0.747 18.150 19.000 -0.172 0.000 1.003 475 A HN 0.684 nan 8.150 nan 0.000 0.497 476 E N -0.706 119.380 120.200 -0.189 0.000 2.637 476 E HA -0.183 4.162 4.350 -0.009 0.000 0.265 476 E C -0.382 176.145 176.600 -0.121 0.000 1.073 476 E CA 0.702 57.020 56.400 -0.136 0.000 0.778 476 E CB -0.944 28.698 29.700 -0.097 0.000 1.362 476 E HN 0.590 nan 8.360 nan 0.000 0.413 477 R N 0.458 120.869 120.500 -0.149 0.000 2.740 477 R HA 0.376 4.711 4.340 -0.009 0.000 0.282 477 R C -0.214 176.037 176.300 -0.083 0.000 0.969 477 R CA -1.012 55.018 56.100 -0.118 0.000 0.918 477 R CB 0.890 31.097 30.300 -0.155 0.000 1.175 477 R HN -0.037 nan 8.270 nan 0.000 0.464 478 N N 2.697 121.376 118.700 -0.034 0.000 2.406 478 N HA 0.264 4.999 4.740 -0.009 0.000 0.251 478 N C 0.060 175.590 175.510 0.033 0.000 1.069 478 N CA -0.144 52.920 53.050 0.023 0.000 0.947 478 N CB 0.739 39.250 38.487 0.040 0.000 1.111 478 N HN 0.483 nan 8.380 nan 0.000 0.497 479 I N -1.617 119.004 120.570 0.084 0.000 2.750 479 I HA 0.632 4.796 4.170 -0.009 0.000 0.308 479 I C -0.358 175.900 176.117 0.234 0.000 1.016 479 I CA -0.770 60.588 61.300 0.097 0.000 1.098 479 I CB 2.118 40.133 38.000 0.026 0.000 1.279 479 I HN 0.150 nan 8.210 nan 0.000 0.454 480 E N 3.974 124.313 120.200 0.230 0.000 2.292 480 E HA 0.655 4.999 4.350 -0.009 0.000 0.272 480 E C -1.584 175.208 176.600 0.321 0.000 0.881 480 E CA -0.566 56.006 56.400 0.287 0.000 0.754 480 E CB 2.640 32.494 29.700 0.256 0.000 1.201 480 E HN 0.646 nan 8.360 nan 0.000 0.425 481 F N -0.530 119.463 119.950 0.072 0.000 2.831 481 F HA 0.700 5.224 4.527 -0.005 0.000 0.318 481 F C -1.460 174.505 175.800 0.276 0.000 1.174 481 F CA -1.099 56.941 58.000 0.067 0.000 0.918 481 F CB 1.685 40.656 39.000 -0.048 0.000 1.364 481 F HN 0.118 nan 8.300 nan 0.000 0.475 482 K N 0.644 121.322 120.400 0.463 0.000 2.562 482 K HA 0.718 5.033 4.320 -0.009 0.000 0.267 482 K C -1.570 175.328 176.600 0.496 0.000 0.938 482 K CA -0.906 55.609 56.287 0.379 0.000 0.840 482 K CB 2.674 35.486 32.500 0.521 0.000 1.390 482 K HN 0.990 nan 8.250 nan 0.000 0.428 483 A N 1.988 124.980 122.820 0.286 0.000 2.293 483 A HA 0.851 5.165 4.320 -0.009 0.000 0.302 483 A C -0.934 176.767 177.584 0.196 0.000 1.119 483 A CA -0.339 51.834 52.037 0.227 0.000 0.823 483 A CB 0.031 19.171 19.000 0.234 0.000 1.097 483 A HN 0.595 nan 8.150 nan 0.000 0.491 484 F N -0.655 119.305 119.950 0.017 0.000 2.654 484 F HA 0.748 5.270 4.527 -0.008 0.000 0.308 484 F C -1.187 174.611 175.800 -0.004 0.000 1.108 484 F CA -1.286 56.614 58.000 -0.166 0.000 0.957 484 F CB 0.953 39.295 39.000 -1.097 0.000 1.309 484 F HN 0.411 nan 8.300 nan 0.000 0.446 485 I N 2.435 123.114 120.570 0.181 0.000 2.428 485 I HA 0.404 4.569 4.170 -0.009 0.000 0.296 485 I C -0.565 175.582 176.117 0.051 0.000 0.985 485 I CA -0.838 60.429 61.300 -0.056 0.000 1.260 485 I CB 1.962 39.864 38.000 -0.163 0.000 1.389 485 I HN 0.697 nan 8.210 nan 0.000 0.484 486 K N 4.582 124.993 120.400 0.018 0.000 2.450 486 K HA 0.322 4.637 4.320 -0.009 0.000 0.257 486 K C -0.462 176.151 176.600 0.022 0.000 0.953 486 K CA -0.356 55.973 56.287 0.070 0.000 0.844 486 K CB 1.623 34.193 32.500 0.118 0.000 1.103 486 K HN 0.639 nan 8.250 nan 0.000 0.429 487 S N 2.662 118.367 115.700 0.008 0.000 2.579 487 S HA 0.032 4.497 4.470 -0.009 0.000 0.275 487 S C 0.873 175.479 174.600 0.010 0.000 1.345 487 S CA -0.251 57.947 58.200 -0.004 0.000 1.031 487 S CB 0.623 63.821 63.200 -0.004 0.000 0.892 487 S HN 0.699 nan 8.310 nan 0.000 0.529 488 K N 2.521 122.925 120.400 0.006 0.000 2.173 488 K HA -0.173 4.141 4.320 -0.009 0.000 0.207 488 K C 0.847 177.458 176.600 0.018 0.000 1.046 488 K CA 2.073 58.370 56.287 0.015 0.000 0.929 488 K CB -1.017 31.489 32.500 0.010 0.000 0.720 488 K HN 0.733 nan 8.250 nan 0.000 0.453 489 D N -0.328 120.078 120.400 0.011 0.000 2.371 489 D HA 0.102 4.737 4.640 -0.009 0.000 0.234 489 D C 0.946 177.251 176.300 0.009 0.000 1.049 489 D CA 0.584 54.590 54.000 0.010 0.000 0.907 489 D CB -0.422 40.382 40.800 0.006 0.000 0.891 489 D HN 0.401 nan 8.370 nan 0.000 0.531 490 G N 0.211 109.019 108.800 0.012 0.000 2.182 490 G HA2 -0.222 3.732 3.960 -0.009 0.000 0.248 490 G HA3 -0.222 3.732 3.960 -0.009 0.000 0.248 490 G C 0.240 175.134 174.900 -0.010 0.000 1.042 490 G CA 0.472 45.575 45.100 0.004 0.000 0.775 490 G HN 0.815 nan 8.290 nan 0.000 0.501 491 T N -2.850 111.702 114.554 -0.003 0.000 2.885 491 T HA 0.679 5.024 4.350 -0.009 0.000 0.285 491 T C 0.102 174.800 174.700 -0.004 0.000 1.019 491 T CA -0.550 61.544 62.100 -0.009 0.000 1.010 491 T CB 2.609 71.476 68.868 -0.003 0.000 1.022 491 T HN 0.822 nan 8.240 nan 0.000 0.466 492 V N 3.974 123.874 119.914 -0.024 0.000 2.446 492 V HA 0.182 4.296 4.120 -0.009 0.000 0.276 492 V C 1.584 177.680 176.094 0.004 0.000 1.030 492 V CA -0.030 62.247 62.300 -0.039 0.000 1.033 492 V CB 0.360 32.097 31.823 -0.143 0.000 0.993 492 V HN 1.070 nan 8.190 nan 0.000 0.477 493 K N 3.998 124.413 120.400 0.025 0.000 2.108 493 K HA 0.115 4.429 4.320 -0.009 0.000 0.204 493 K C 0.658 177.321 176.600 0.104 0.000 1.036 493 K CA 1.024 57.340 56.287 0.048 0.000 0.965 493 K CB 0.437 32.952 32.500 0.025 0.000 0.804 493 K HN 0.784 nan 8.250 nan 0.000 0.454 494 S N -1.781 114.007 115.700 0.147 0.000 2.596 494 S HA 0.470 4.935 4.470 -0.009 0.000 0.270 494 S C -1.626 173.144 174.600 0.284 0.000 1.155 494 S CA -1.152 57.219 58.200 0.286 0.000 0.827 494 S CB 0.639 64.082 63.200 0.405 0.000 1.130 494 S HN 0.304 nan 8.310 nan 0.000 0.467 495 W N 0.891 122.278 121.300 0.145 0.000 2.736 495 W HA 0.602 5.256 4.660 -0.010 0.000 0.355 495 W C 0.245 176.352 176.519 -0.687 0.000 1.102 495 W CA -0.612 56.675 57.345 -0.097 0.000 1.164 495 W CB 1.260 30.663 29.460 -0.096 0.000 1.422 495 W HN 0.892 nan 8.180 nan 0.000 0.572 496 Q N 0.666 120.047 119.800 -0.699 0.000 2.364 496 Q HA 0.048 4.383 4.340 -0.009 0.000 0.267 496 Q C 0.860 176.544 176.000 -0.527 0.000 0.999 496 Q CA 0.657 55.775 55.803 -1.142 0.000 0.886 496 Q CB 1.220 29.605 28.738 -0.588 0.000 1.243 496 Q HN 0.663 nan 8.270 nan 0.000 0.415 497 T N 3.682 117.932 114.554 -0.505 0.000 2.652 497 T HA -0.111 4.234 4.350 -0.009 0.000 0.267 497 T C 0.484 175.081 174.700 -0.172 0.000 1.039 497 T CA 1.344 63.301 62.100 -0.238 0.000 1.153 497 T CB -0.190 68.588 68.868 -0.151 0.000 0.863 497 T HN 0.596 nan 8.240 nan 0.000 0.428 498 I N 0.505 120.977 120.570 -0.164 0.000 2.377 498 I HA 0.392 4.557 4.170 -0.009 0.000 0.293 498 I C -0.098 175.937 176.117 -0.136 0.000 0.987 498 I CA -1.396 59.828 61.300 -0.128 0.000 1.185 498 I CB 0.950 38.892 38.000 -0.096 0.000 1.341 498 I HN -0.017 nan 8.210 nan 0.000 0.455 499 Q N 4.594 124.321 119.800 -0.121 0.000 2.286 499 Q HA 0.122 4.457 4.340 -0.009 0.000 0.267 499 Q C -0.633 175.262 176.000 -0.176 0.000 1.028 499 Q CA -0.380 55.356 55.803 -0.110 0.000 0.901 499 Q CB 0.678 29.381 28.738 -0.058 0.000 1.183 499 Q HN 0.521 nan 8.270 nan 0.000 0.392 500 Q N 1.502 121.072 119.800 -0.383 0.000 2.317 500 Q HA 0.424 4.759 4.340 -0.009 0.000 0.229 500 Q C -0.799 174.883 176.000 -0.529 0.000 0.984 500 Q CA -0.037 55.422 55.803 -0.574 0.000 0.911 500 Q CB 1.887 29.984 28.738 -1.068 0.000 1.217 500 Q HN 0.642 nan 8.270 nan 0.000 0.501 501 S N 0.056 115.636 115.700 -0.201 0.000 2.579 501 S HA 0.578 5.043 4.470 -0.009 0.000 0.272 501 S C -1.744 173.041 174.600 0.308 0.000 1.141 501 S CA -0.724 57.545 58.200 0.116 0.000 0.843 501 S CB 1.588 64.854 63.200 0.110 0.000 1.122 501 S HN 0.537 nan 8.310 nan 0.000 0.468 502 W N 2.904 124.325 121.300 0.201 0.000 2.642 502 W HA 0.431 5.084 4.660 -0.011 0.000 0.304 502 W C -1.714 174.859 176.519 0.089 0.000 1.023 502 W CA -1.218 56.225 57.345 0.164 0.000 1.290 502 W CB 0.407 29.932 29.460 0.108 0.000 1.190 502 W HN 0.687 nan 8.180 nan 0.000 0.374 503 N N 6.003 124.915 118.700 0.353 0.000 2.696 503 N HA 0.398 5.132 4.740 -0.009 0.000 0.246 503 N C -2.323 173.267 175.510 0.133 0.000 1.057 503 N CA -0.842 52.317 53.050 0.181 0.000 0.867 503 N CB 1.910 40.482 38.487 0.141 0.000 1.141 503 N HN 0.043 nan 8.380 nan 0.000 0.517 504 P HA 0.356 nan 4.420 nan 0.000 0.314 504 P C -0.592 176.603 177.300 -0.175 0.000 1.306 504 P CA -0.591 62.498 63.100 -0.019 0.000 0.782 504 P CB 1.011 32.676 31.700 -0.058 0.000 1.337 505 V N 2.723 122.427 119.914 -0.350 0.000 2.508 505 V HA 0.167 4.281 4.120 -0.009 0.000 0.281 505 V C -1.704 174.032 176.094 -0.597 0.000 1.041 505 V CA -1.198 60.622 62.300 -0.800 0.000 1.016 505 V CB 0.302 31.727 31.823 -0.662 0.000 0.984 505 V HN 0.596 nan 8.190 nan 0.000 0.478 506 P HA 0.116 nan 4.420 nan 0.000 0.271 506 P C 0.324 177.463 177.300 -0.269 0.000 1.218 506 P CA -0.275 62.630 63.100 -0.325 0.000 0.780 506 P CB 1.113 32.696 31.700 -0.195 0.000 0.901 507 L N 0.284 121.413 121.223 -0.158 0.000 2.240 507 L HA 0.067 4.402 4.340 -0.009 0.000 0.211 507 L C 1.336 178.149 176.870 -0.094 0.000 1.106 507 L CA 1.618 56.385 54.840 -0.121 0.000 0.793 507 L CB -1.112 40.900 42.059 -0.078 0.000 0.927 507 L HN 0.292 nan 8.230 nan 0.000 0.446 508 K N 0.042 120.399 120.400 -0.072 0.000 2.234 508 K HA 0.220 4.535 4.320 -0.009 0.000 0.282 508 K C -0.165 176.417 176.600 -0.030 0.000 1.039 508 K CA -0.012 56.254 56.287 -0.035 0.000 0.928 508 K CB 0.711 33.208 32.500 -0.006 0.000 1.039 508 K HN -0.137 nan 8.250 nan 0.000 0.470 509 T N 3.755 118.300 114.554 -0.016 0.000 2.891 509 T HA 0.030 4.375 4.350 -0.009 0.000 0.258 509 T C 0.392 175.131 174.700 0.064 0.000 0.942 509 T CA 0.263 62.369 62.100 0.009 0.000 1.200 509 T CB -0.219 68.653 68.868 0.006 0.000 0.922 509 T HN 0.591 nan 8.240 nan 0.000 0.585 510 T N 1.579 116.210 114.554 0.129 0.000 2.636 510 T HA 0.566 4.911 4.350 -0.009 0.000 0.199 510 T C 0.373 175.219 174.700 0.243 0.000 0.770 510 T CA -0.634 61.581 62.100 0.192 0.000 1.712 510 T CB 0.435 69.462 68.868 0.265 0.000 3.035 510 T HN 0.478 nan 8.240 nan 0.000 0.396 511 S N 0.104 116.005 115.700 0.335 0.000 2.604 511 S HA 0.259 4.723 4.470 -0.009 0.000 0.296 511 S C -2.236 172.404 174.600 0.067 0.000 1.097 511 S CA -0.717 57.622 58.200 0.232 0.000 0.883 511 S CB 0.741 64.010 63.200 0.114 0.000 1.081 511 S HN 0.704 nan 8.310 nan 0.000 0.448 512 H N 3.559 122.476 119.070 -0.254 0.000 2.718 512 H HA 0.497 5.046 4.556 -0.012 0.000 0.295 512 H C -0.873 174.331 175.328 -0.207 0.000 1.051 512 H CA 0.095 55.819 56.048 -0.541 0.000 1.260 512 H CB 0.697 29.710 29.762 -1.247 0.000 1.403 512 H HN 0.580 nan 8.280 nan 0.000 0.488 513 T N 3.524 117.911 114.554 -0.278 0.000 2.875 513 T HA 0.464 4.809 4.350 -0.009 0.000 0.284 513 T C -0.223 174.363 174.700 -0.191 0.000 0.995 513 T CA -0.529 61.499 62.100 -0.119 0.000 1.060 513 T CB 1.226 70.051 68.868 -0.071 0.000 0.967 513 T HN 0.722 nan 8.240 nan 0.000 0.476 514 S N 0.825 116.513 115.700 -0.020 0.000 2.615 514 S HA 0.764 5.229 4.470 -0.009 0.000 0.269 514 S C -0.814 173.832 174.600 0.076 0.000 1.161 514 S CA -1.036 57.161 58.200 -0.006 0.000 0.817 514 S CB 1.416 64.635 63.200 0.031 0.000 1.131 514 S HN 0.801 nan 8.310 nan 0.000 0.467 515 S N 0.730 116.475 115.700 0.075 0.000 2.621 515 S HA 0.636 5.100 4.470 -0.009 0.000 0.302 515 S C -0.241 174.469 174.600 0.183 0.000 1.093 515 S CA -0.852 57.433 58.200 0.141 0.000 1.017 515 S CB 0.928 64.193 63.200 0.108 0.000 1.077 515 S HN 0.878 nan 8.310 nan 0.000 0.517 516 W N 0.000 121.333 121.300 0.055 0.000 2.388 516 W HA 0.000 4.653 4.660 -0.011 0.000 0.303 516 W CA 0.000 57.376 57.345 0.051 0.000 1.226 516 W CB 0.000 29.487 29.460 0.045 0.000 1.126 516 W HN 0.000 nan 8.180 nan 0.000 0.535