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 1j10_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 0.000 177.574 177.584 -0.017 0.000 1.274 1 A CA 0.000 51.960 52.037 -0.128 0.000 0.836 1 A CB 0.000 18.922 19.000 -0.130 0.000 0.831 2 V N 1.481 121.334 119.914 -0.103 0.000 2.814 2 V HA 0.075 4.189 4.120 -0.009 0.000 0.307 2 V C 1.107 177.218 176.094 0.027 0.000 1.089 2 V CA 1.617 63.910 62.300 -0.011 0.000 1.212 2 V CB -0.149 31.562 31.823 -0.185 0.000 0.912 2 V HN 1.106 nan 8.190 nan 0.000 0.497 3 N N 2.347 121.088 118.700 0.069 0.000 2.714 3 N HA -0.231 4.503 4.740 -0.009 0.000 0.250 3 N C 1.003 176.583 175.510 0.118 0.000 1.117 3 N CA 0.655 53.757 53.050 0.088 0.000 0.719 3 N CB -1.116 37.412 38.487 0.068 0.000 1.081 3 N HN 1.397 nan 8.380 nan 0.000 0.557 4 G N -0.874 108.013 108.800 0.144 0.000 2.245 4 G HA2 -0.432 3.523 3.960 -0.009 0.000 0.264 4 G HA3 -0.432 3.523 3.960 -0.009 0.000 0.264 4 G C 0.394 175.352 174.900 0.097 0.000 0.985 4 G CA 1.333 46.531 45.100 0.164 0.000 0.625 4 G HN 0.731 nan 8.290 nan 0.000 0.536 5 K N 0.378 120.820 120.400 0.070 0.000 2.318 5 K HA 0.789 5.104 4.320 -0.009 0.000 0.243 5 K C 1.048 177.654 176.600 0.010 0.000 1.047 5 K CA 0.009 56.322 56.287 0.044 0.000 0.937 5 K CB 0.300 32.822 32.500 0.037 0.000 1.225 5 K HN 0.750 nan 8.250 nan 0.000 0.506 6 G N -0.800 107.995 108.800 -0.007 0.000 3.252 6 G HA2 0.417 4.371 3.960 -0.009 0.000 0.181 6 G HA3 0.417 4.371 3.960 -0.009 0.000 0.181 6 G C -0.713 174.166 174.900 -0.034 0.000 1.187 6 G CA -0.918 44.158 45.100 -0.040 0.000 0.886 6 G HN 0.849 nan 8.290 nan 0.000 0.615 7 M N 0.366 119.929 119.600 -0.063 0.000 2.240 7 M HA 0.365 4.839 4.480 -0.009 0.000 0.333 7 M C -0.121 176.189 176.300 0.017 0.000 1.110 7 M CA -0.531 54.758 55.300 -0.019 0.000 1.173 7 M CB 0.631 33.121 32.600 -0.184 0.000 1.458 7 M HN 0.351 nan 8.290 nan 0.000 0.458 8 N N 3.760 122.519 118.700 0.099 0.000 2.452 8 N HA 0.130 4.865 4.740 -0.009 0.000 0.266 8 N C -1.769 173.797 175.510 0.092 0.000 1.209 8 N CA -1.375 51.739 53.050 0.106 0.000 0.929 8 N CB 0.873 39.461 38.487 0.169 0.000 1.063 8 N HN 0.529 nan 8.380 nan 0.000 0.472 9 P HA -0.063 nan 4.420 nan 0.000 0.228 9 P C -0.182 177.133 177.300 0.024 0.000 1.151 9 P CA 1.013 64.123 63.100 0.015 0.000 0.770 9 P CB 0.471 32.169 31.700 -0.003 0.000 0.786 10 D N -1.693 118.736 120.400 0.048 0.000 2.340 10 D HA -0.008 4.626 4.640 -0.009 0.000 0.217 10 D C 0.529 176.844 176.300 0.025 0.000 1.081 10 D CA -0.386 53.624 54.000 0.017 0.000 0.842 10 D CB -0.562 40.249 40.800 0.018 0.000 0.934 10 D HN 0.228 nan 8.370 nan 0.000 0.511 11 Y N 2.601 122.897 120.300 -0.008 0.000 2.717 11 Y HA -0.018 4.524 4.550 -0.014 0.000 0.330 11 Y C -0.031 175.825 175.900 -0.072 0.000 1.217 11 Y CA 0.323 58.434 58.100 0.018 0.000 1.506 11 Y CB 0.264 38.793 38.460 0.115 0.000 1.268 11 Y HN -0.314 nan 8.280 nan 0.000 0.561 12 K N 4.836 124.603 120.400 -1.055 0.000 2.469 12 K HA 0.762 5.077 4.320 -0.009 0.000 0.254 12 K C -1.402 174.403 176.600 -1.325 0.000 0.939 12 K CA -1.068 54.607 56.287 -1.020 0.000 0.812 12 K CB 1.968 34.059 32.500 -0.682 0.000 1.301 12 K HN 0.658 nan 8.250 nan 0.000 0.433 13 A N 2.531 124.855 122.820 -0.826 0.000 2.305 13 A HA 0.656 4.971 4.320 -0.009 0.000 0.322 13 A C -1.354 176.090 177.584 -0.234 0.000 1.187 13 A CA -0.377 51.413 52.037 -0.413 0.000 0.825 13 A CB 0.179 19.147 19.000 -0.054 0.000 1.164 13 A HN 0.656 nan 8.150 nan 0.000 0.498 14 Y N 0.759 121.234 120.300 0.291 0.000 2.524 14 Y HA 0.620 5.164 4.550 -0.010 0.000 0.344 14 Y C -0.325 175.730 175.900 0.257 0.000 1.012 14 Y CA -1.139 57.132 58.100 0.284 0.000 1.068 14 Y CB 2.037 40.578 38.460 0.135 0.000 1.249 14 Y HN 0.600 nan 8.280 nan 0.000 0.468 15 L N 2.986 124.312 121.223 0.170 0.000 2.341 15 L HA 0.585 4.919 4.340 -0.009 0.000 0.278 15 L C -0.823 176.015 176.870 -0.054 0.000 1.005 15 L CA -0.945 53.757 54.840 -0.230 0.000 0.818 15 L CB 1.566 43.142 42.059 -0.806 0.000 1.259 15 L HN 0.750 nan 8.230 nan 0.000 0.418 16 M N 4.631 124.202 119.600 -0.049 0.000 2.180 16 M HA 0.649 5.123 4.480 -0.009 0.000 0.358 16 M C 0.044 176.367 176.300 0.037 0.000 1.233 16 M CA 0.166 55.456 55.300 -0.016 0.000 1.114 16 M CB 1.055 33.637 32.600 -0.031 0.000 1.594 16 M HN 0.779 nan 8.290 nan 0.000 0.467 17 A N 7.105 129.938 122.820 0.022 0.000 2.346 17 A HA 0.665 4.980 4.320 -0.009 0.000 0.252 17 A C -2.438 175.123 177.584 -0.039 0.000 1.089 17 A CA -1.192 50.845 52.037 0.001 0.000 0.797 17 A CB -0.748 18.275 19.000 0.038 0.000 1.047 17 A HN 0.697 nan 8.150 nan 0.000 0.494 18 P HA 0.091 nan 4.420 nan 0.000 0.273 18 P C 0.433 177.736 177.300 0.004 0.000 1.250 18 P CA -0.355 62.721 63.100 -0.040 0.000 0.793 18 P CB 0.590 32.235 31.700 -0.091 0.000 1.011 19 L N -0.330 120.921 121.223 0.046 0.000 2.179 19 L HA 0.070 4.404 4.340 -0.009 0.000 0.208 19 L C 1.325 178.240 176.870 0.075 0.000 1.096 19 L CA 1.598 56.500 54.840 0.103 0.000 0.779 19 L CB -0.924 41.188 42.059 0.088 0.000 0.922 19 L HN 0.332 nan 8.230 nan 0.000 0.443 20 K N 0.538 120.945 120.400 0.010 0.000 2.185 20 K HA 0.147 4.462 4.320 -0.009 0.000 0.271 20 K C 0.076 176.646 176.600 -0.051 0.000 1.013 20 K CA -0.447 55.822 56.287 -0.030 0.000 0.943 20 K CB 0.757 33.232 32.500 -0.040 0.000 0.998 20 K HN -0.018 nan 8.250 nan 0.000 0.468 21 K N 2.470 122.811 120.400 -0.098 0.000 2.436 21 K HA -0.011 4.304 4.320 -0.009 0.000 0.275 21 K C 1.394 177.911 176.600 -0.138 0.000 0.999 21 K CA -0.402 55.803 56.287 -0.138 0.000 0.980 21 K CB 0.377 32.656 32.500 -0.367 0.000 0.919 21 K HN 0.420 nan 8.250 nan 0.000 0.484 22 I N 3.936 124.409 120.570 -0.162 0.000 2.143 22 I HA -0.239 3.926 4.170 -0.009 0.000 0.245 22 I C -0.802 175.024 176.117 -0.485 0.000 1.068 22 I CA 1.692 62.687 61.300 -0.508 0.000 1.326 22 I CB -2.024 35.296 38.000 -1.133 0.000 1.028 22 I HN 0.560 nan 8.210 nan 0.000 0.412 23 P HA -0.144 nan 4.420 nan 0.000 0.219 23 P C 1.462 178.659 177.300 -0.172 0.000 1.146 23 P CA 1.299 64.208 63.100 -0.318 0.000 0.808 23 P CB -0.045 31.562 31.700 -0.155 0.000 0.779 24 E N -1.064 119.049 120.200 -0.144 0.000 2.216 24 E HA -0.049 4.295 4.350 -0.009 0.000 0.192 24 E C 1.552 178.106 176.600 -0.078 0.000 0.988 24 E CA 0.786 57.130 56.400 -0.093 0.000 0.834 24 E CB -0.084 29.566 29.700 -0.085 0.000 0.772 24 E HN 0.148 nan 8.360 nan 0.000 0.479 25 V N -0.374 119.480 119.914 -0.099 0.000 2.949 25 V HA 0.055 4.169 4.120 -0.009 0.000 0.245 25 V C 1.096 177.174 176.094 -0.027 0.000 1.086 25 V CA 0.972 63.245 62.300 -0.044 0.000 1.097 25 V CB 0.887 32.690 31.823 -0.034 0.000 0.762 25 V HN 0.134 nan 8.190 nan 0.000 0.470 26 T N -0.374 114.125 114.554 -0.092 0.000 2.663 26 T HA 0.309 4.653 4.350 -0.009 0.000 0.297 26 T C -1.788 172.824 174.700 -0.147 0.000 1.505 26 T CA -0.093 61.972 62.100 -0.058 0.000 1.024 26 T CB 1.040 69.932 68.868 0.040 0.000 1.865 26 T HN 0.502 nan 8.240 nan 0.000 0.453 27 N N -0.710 117.937 118.700 -0.088 0.000 2.404 27 N HA 0.423 5.158 4.740 -0.009 0.000 0.297 27 N C 0.511 175.987 175.510 -0.056 0.000 1.163 27 N CA -0.808 52.178 53.050 -0.107 0.000 0.864 27 N CB 0.699 39.197 38.487 0.018 0.000 1.247 27 N HN 0.766 nan 8.380 nan 0.000 0.510 28 W N -0.274 121.083 121.300 0.095 0.000 2.342 28 W HA -0.087 4.567 4.660 -0.010 0.000 0.297 28 W C 1.472 178.084 176.519 0.154 0.000 1.213 28 W CA 0.682 58.106 57.345 0.132 0.000 1.251 28 W CB -0.051 29.457 29.460 0.080 0.000 1.136 28 W HN 0.637 nan 8.180 nan 0.000 0.526 29 E N -0.748 119.638 120.200 0.310 0.000 2.150 29 E HA -0.126 4.219 4.350 -0.009 0.000 0.193 29 E C 2.040 178.739 176.600 0.165 0.000 0.985 29 E CA 1.842 58.362 56.400 0.200 0.000 0.814 29 E CB -0.858 28.927 29.700 0.141 0.000 0.752 29 E HN 0.095 nan 8.360 nan 0.000 0.466 30 T N 0.568 115.224 114.554 0.170 0.000 2.851 30 T HA -0.062 4.283 4.350 -0.009 0.000 0.262 30 T C 1.438 176.268 174.700 0.215 0.000 1.043 30 T CA 0.687 62.880 62.100 0.155 0.000 1.140 30 T CB -0.379 68.572 68.868 0.138 0.000 0.872 30 T HN 0.147 nan 8.240 nan 0.000 0.446 31 F N 2.433 122.437 119.950 0.090 0.000 2.126 31 F HA -0.112 4.410 4.527 -0.008 0.000 0.299 31 F C 2.083 177.950 175.800 0.110 0.000 1.096 31 F CA 1.307 59.367 58.000 0.100 0.000 1.255 31 F CB -0.399 38.616 39.000 0.025 0.000 0.997 31 F HN 0.199 nan 8.300 nan 0.000 0.479 32 E N -0.287 119.921 120.200 0.012 0.000 2.106 32 E HA -0.199 4.146 4.350 -0.009 0.000 0.192 32 E C 1.913 178.471 176.600 -0.070 0.000 0.984 32 E CA 1.090 57.423 56.400 -0.112 0.000 0.806 32 E CB -0.223 29.485 29.700 0.014 0.000 0.750 32 E HN 0.412 nan 8.360 nan 0.000 0.458 33 N N 0.971 119.679 118.700 0.014 0.000 2.270 33 N HA -0.117 4.618 4.740 -0.009 0.000 0.181 33 N C 1.200 176.748 175.510 0.064 0.000 1.016 33 N CA 0.921 53.994 53.050 0.038 0.000 0.870 33 N CB -0.106 38.409 38.487 0.046 0.000 0.979 33 N HN 0.132 nan 8.380 nan 0.000 0.431 34 D N 0.931 121.368 120.400 0.063 0.000 2.144 34 D HA -0.044 4.591 4.640 -0.009 0.000 0.199 34 D C 2.139 178.457 176.300 0.031 0.000 0.984 34 D CA 0.441 54.498 54.000 0.096 0.000 0.834 34 D CB -0.187 40.707 40.800 0.155 0.000 0.955 34 D HN 0.231 nan 8.370 nan 0.000 0.465 35 L N 0.222 121.373 121.223 -0.119 0.000 2.093 35 L HA -0.088 4.247 4.340 -0.009 0.000 0.208 35 L C 2.478 179.321 176.870 -0.046 0.000 1.085 35 L CA 0.988 55.728 54.840 -0.166 0.000 0.755 35 L CB -0.278 41.568 42.059 -0.355 0.000 0.904 35 L HN -0.044 nan 8.230 nan 0.000 0.435 36 R N -0.792 119.712 120.500 0.007 0.000 2.115 36 R HA -0.196 4.138 4.340 -0.009 0.000 0.230 36 R C 2.165 178.568 176.300 0.171 0.000 1.111 36 R CA 1.555 57.695 56.100 0.067 0.000 0.976 36 R CB -0.345 29.997 30.300 0.069 0.000 0.870 36 R HN 0.558 nan 8.270 nan 0.000 0.445 37 W N 1.121 122.405 121.300 -0.027 0.000 2.418 37 W HA -0.085 4.571 4.660 -0.007 0.000 0.292 37 W C 1.815 178.349 176.519 0.025 0.000 1.213 37 W CA 0.980 58.323 57.345 -0.003 0.000 1.283 37 W CB -0.010 29.438 29.460 -0.020 0.000 1.119 37 W HN 0.125 nan 8.180 nan 0.000 0.542 38 A N 1.025 123.809 122.820 -0.060 0.000 1.902 38 A HA -0.252 4.062 4.320 -0.009 0.000 0.217 38 A C 1.983 179.601 177.584 0.056 0.000 1.181 38 A CA 1.985 53.957 52.037 -0.108 0.000 0.623 38 A CB -0.953 17.930 19.000 -0.196 0.000 0.818 38 A HN 0.352 nan 8.150 nan 0.000 0.443 39 K N -0.486 119.934 120.400 0.033 0.000 2.057 39 K HA -0.193 4.121 4.320 -0.009 0.000 0.207 39 K C 2.201 178.810 176.600 0.015 0.000 1.049 39 K CA 1.641 57.961 56.287 0.054 0.000 0.931 39 K CB -0.197 32.323 32.500 0.034 0.000 0.714 39 K HN 0.621 nan 8.250 nan 0.000 0.440 40 Q N -0.027 119.756 119.800 -0.029 0.000 2.226 40 Q HA -0.079 4.256 4.340 -0.009 0.000 0.204 40 Q C 0.872 176.769 176.000 -0.170 0.000 0.975 40 Q CA 0.921 56.685 55.803 -0.063 0.000 0.866 40 Q CB 0.056 28.794 28.738 0.000 0.000 0.915 40 Q HN 0.351 nan 8.270 nan 0.000 0.440 41 N N -0.831 117.715 118.700 -0.257 0.000 2.322 41 N HA 0.052 4.787 4.740 -0.009 0.000 0.216 41 N C 0.444 175.871 175.510 -0.138 0.000 1.144 41 N CA 0.749 53.658 53.050 -0.236 0.000 0.830 41 N CB 1.271 39.557 38.487 -0.334 0.000 1.034 41 N HN 0.362 nan 8.380 nan 0.000 0.484 42 G N 0.667 109.416 108.800 -0.086 0.000 2.176 42 G HA2 -0.266 3.689 3.960 -0.009 0.000 0.253 42 G HA3 -0.266 3.689 3.960 -0.009 0.000 0.253 42 G C -0.088 174.765 174.900 -0.079 0.000 0.979 42 G CA -0.417 44.630 45.100 -0.087 0.000 0.641 42 G HN 0.256 nan 8.290 nan 0.000 0.530 43 F N 0.080 120.055 119.950 0.041 0.000 2.456 43 F HA 0.540 5.063 4.527 -0.008 0.000 0.358 43 F C 1.346 177.206 175.800 0.099 0.000 1.095 43 F CA -0.274 57.757 58.000 0.051 0.000 1.216 43 F CB 0.752 39.731 39.000 -0.034 0.000 1.125 43 F HN 0.092 nan 8.300 nan 0.000 0.549 44 Y N 2.807 123.215 120.300 0.180 0.000 2.347 44 Y HA 0.495 5.043 4.550 -0.004 0.000 0.294 44 Y C 0.635 176.665 175.900 0.217 0.000 1.117 44 Y CA 0.674 58.864 58.100 0.150 0.000 1.184 44 Y CB 0.124 38.638 38.460 0.090 0.000 1.047 44 Y HN 0.488 nan 8.280 nan 0.000 0.546 45 A N -0.029 122.984 122.820 0.322 0.000 2.593 45 A HA 0.571 4.886 4.320 -0.009 0.000 0.290 45 A C -1.891 175.804 177.584 0.186 0.000 1.126 45 A CA -0.684 51.434 52.037 0.135 0.000 0.695 45 A CB 0.799 19.855 19.000 0.093 0.000 1.290 45 A HN 0.205 nan 8.150 nan 0.000 0.414 46 I N 1.423 122.047 120.570 0.089 0.000 2.406 46 I HA 0.545 4.710 4.170 -0.009 0.000 0.290 46 I C 0.240 176.395 176.117 0.063 0.000 0.999 46 I CA -0.215 61.148 61.300 0.105 0.000 1.124 46 I CB 1.858 39.961 38.000 0.171 0.000 1.289 46 I HN 0.827 nan 8.210 nan 0.000 0.441 47 T N 4.603 119.163 114.554 0.011 0.000 2.845 47 T HA 0.596 4.940 4.350 -0.009 0.000 0.288 47 T C -0.598 174.003 174.700 -0.166 0.000 0.980 47 T CA -0.616 61.433 62.100 -0.084 0.000 1.071 47 T CB 1.647 70.473 68.868 -0.069 0.000 0.941 47 T HN 0.442 nan 8.240 nan 0.000 0.487 48 V N 2.080 121.770 119.914 -0.375 0.000 2.851 48 V HA 0.367 4.482 4.120 -0.009 0.000 0.307 48 V C -1.455 174.102 176.094 -0.895 0.000 1.129 48 V CA -0.930 60.989 62.300 -0.635 0.000 0.932 48 V CB 2.176 33.393 31.823 -1.010 0.000 1.024 48 V HN 1.078 nan 8.190 nan 0.000 0.426 49 D N 5.501 125.422 120.400 -0.799 0.000 2.308 49 D HA 0.323 4.957 4.640 -0.009 0.000 0.251 49 D C -0.970 174.683 176.300 -1.078 0.000 1.127 49 D CA 0.466 53.864 54.000 -1.003 0.000 0.876 49 D CB 1.260 41.291 40.800 -1.282 0.000 1.176 49 D HN 0.456 nan 8.370 nan 0.000 0.446 50 F N 1.842 121.385 119.950 -0.678 0.000 2.382 50 F HA 0.245 4.766 4.527 -0.010 0.000 0.361 50 F C -0.121 175.444 175.800 -0.392 0.000 1.109 50 F CA -1.270 56.509 58.000 -0.369 0.000 1.031 50 F CB 0.825 39.741 39.000 -0.139 0.000 1.234 50 F HN 0.224 nan 8.300 nan 0.000 0.445 51 W N 3.608 125.015 121.300 0.179 0.000 2.253 51 W HA 0.036 4.691 4.660 -0.007 0.000 0.322 51 W C 0.879 177.526 176.519 0.213 0.000 1.342 51 W CA -0.576 56.827 57.345 0.097 0.000 1.218 51 W CB 0.413 29.884 29.460 0.019 0.000 1.205 51 W HN 0.638 nan 8.180 nan 0.000 0.551 52 W N 2.740 124.161 121.300 0.201 0.000 2.363 52 W HA -0.101 4.554 4.660 -0.008 0.000 0.296 52 W C 1.871 178.479 176.519 0.148 0.000 1.212 52 W CA 1.902 59.332 57.345 0.141 0.000 1.260 52 W CB -0.945 28.542 29.460 0.045 0.000 1.131 52 W HN 0.483 nan 8.180 nan 0.000 0.530 53 G N -0.113 108.817 108.800 0.217 0.000 2.448 53 G HA2 -0.266 3.689 3.960 -0.009 0.000 0.219 53 G HA3 -0.266 3.689 3.960 -0.009 0.000 0.219 53 G C 1.203 176.154 174.900 0.085 0.000 1.127 53 G CA 1.344 46.454 45.100 0.016 0.000 0.766 53 G HN 0.225 nan 8.290 nan 0.000 0.552 54 D N 0.121 120.639 120.400 0.197 0.000 2.201 54 D HA 0.056 4.691 4.640 -0.009 0.000 0.209 54 D C 2.676 179.074 176.300 0.165 0.000 0.961 54 D CA 0.440 54.539 54.000 0.166 0.000 0.861 54 D CB -0.177 40.751 40.800 0.212 0.000 0.997 54 D HN 0.291 nan 8.370 nan 0.000 0.486 55 M N -0.114 119.629 119.600 0.239 0.000 2.394 55 M HA -0.014 4.461 4.480 -0.009 0.000 0.264 55 M C 0.936 177.363 176.300 0.212 0.000 1.073 55 M CA 1.041 56.441 55.300 0.166 0.000 1.111 55 M CB 0.257 33.027 32.600 0.283 0.000 1.401 55 M HN -0.140 nan 8.290 nan 0.000 0.448 56 E N 0.341 120.742 120.200 0.336 0.000 3.843 56 E HA 0.058 4.403 4.350 -0.009 0.000 0.189 56 E C 0.853 177.640 176.600 0.312 0.000 1.013 56 E CA -0.091 56.513 56.400 0.339 0.000 1.395 56 E CB 0.551 30.654 29.700 0.672 0.000 1.136 56 E HN 0.194 nan 8.360 nan 0.000 0.444 57 K N 0.394 120.901 120.400 0.177 0.000 2.002 57 K HA -0.137 4.178 4.320 -0.009 0.000 0.209 57 K C 1.078 177.796 176.600 0.196 0.000 1.048 57 K CA 1.998 58.373 56.287 0.148 0.000 0.930 57 K CB 0.076 32.618 32.500 0.070 0.000 0.714 57 K HN 0.191 nan 8.250 nan 0.000 0.438 58 N N -0.736 118.007 118.700 0.071 0.000 2.396 58 N HA 0.027 4.762 4.740 -0.009 0.000 0.180 58 N C 0.365 175.776 175.510 -0.165 0.000 1.028 58 N CA 0.565 53.609 53.050 -0.010 0.000 0.893 58 N CB 0.562 39.018 38.487 -0.053 0.000 0.967 58 N HN 0.315 nan 8.380 nan 0.000 0.440 59 G N -0.335 108.204 108.800 -0.435 0.000 2.328 59 G HA2 0.027 3.982 3.960 -0.009 0.000 0.295 59 G HA3 0.027 3.982 3.960 -0.009 0.000 0.295 59 G C -2.080 171.979 174.900 -1.401 0.000 1.413 59 G CA -0.911 43.525 45.100 -1.106 0.000 0.817 59 G HN -0.047 nan 8.290 nan 0.000 0.546 60 D N 0.671 120.030 120.400 -1.736 0.000 2.487 60 D HA 0.312 4.947 4.640 -0.009 0.000 0.243 60 D C 0.986 176.877 176.300 -0.681 0.000 1.154 60 D CA 1.000 54.253 54.000 -1.245 0.000 0.876 60 D CB 0.490 40.806 40.800 -0.806 0.000 1.161 60 D HN 0.464 nan 8.370 nan 0.000 0.478 61 Q N 1.493 120.900 119.800 -0.655 0.000 2.460 61 Q HA -0.254 4.081 4.340 -0.009 0.000 0.248 61 Q C -0.601 174.874 176.000 -0.875 0.000 0.847 61 Q CA 0.867 56.157 55.803 -0.855 0.000 1.214 61 Q CB -1.940 26.589 28.738 -0.348 0.000 1.523 61 Q HN 0.764 nan 8.270 nan 0.000 0.602 62 Q N 0.182 119.542 119.800 -0.733 0.000 2.655 62 Q HA 0.429 4.763 4.340 -0.009 0.000 0.228 62 Q C -0.332 175.455 176.000 -0.355 0.000 1.186 62 Q CA -0.155 55.391 55.803 -0.428 0.000 1.004 62 Q CB 0.105 28.659 28.738 -0.306 0.000 1.242 62 Q HN 0.155 nan 8.270 nan 0.000 0.558 63 F N 0.771 120.671 119.950 -0.084 0.000 2.382 63 F HA 0.227 4.749 4.527 -0.008 0.000 0.331 63 F C 0.694 176.292 175.800 -0.337 0.000 1.121 63 F CA -0.577 57.259 58.000 -0.273 0.000 1.183 63 F CB 0.894 39.696 39.000 -0.330 0.000 1.207 63 F HN 0.251 nan 8.300 nan 0.000 0.555 64 D N 2.020 122.232 120.400 -0.313 0.000 2.336 64 D HA 0.249 4.884 4.640 -0.009 0.000 0.248 64 D C -0.735 175.378 176.300 -0.311 0.000 1.326 64 D CA -0.349 53.531 54.000 -0.199 0.000 0.973 64 D CB 0.202 40.976 40.800 -0.043 0.000 1.255 64 D HN 0.344 nan 8.370 nan 0.000 0.558 65 F N 1.426 121.444 119.950 0.114 0.000 2.639 65 F HA 0.089 4.612 4.527 -0.008 0.000 0.302 65 F C 2.364 178.150 175.800 -0.023 0.000 1.097 65 F CA -0.205 57.806 58.000 0.017 0.000 1.294 65 F CB 0.428 39.392 39.000 -0.061 0.000 1.027 65 F HN 0.295 nan 8.300 nan 0.000 0.550 66 S N 0.217 116.003 115.700 0.145 0.000 2.359 66 S HA -0.362 4.102 4.470 -0.009 0.000 0.223 66 S C 1.998 176.652 174.600 0.089 0.000 1.039 66 S CA 1.584 59.847 58.200 0.106 0.000 1.042 66 S CB -1.158 62.108 63.200 0.110 0.000 0.915 66 S HN 0.532 nan 8.310 nan 0.000 0.439 67 Y N 2.936 123.274 120.300 0.063 0.000 2.181 67 Y HA -0.001 4.544 4.550 -0.008 0.000 0.288 67 Y C 2.666 178.593 175.900 0.045 0.000 1.146 67 Y CA 0.990 59.163 58.100 0.120 0.000 1.164 67 Y CB -1.029 37.541 38.460 0.184 0.000 0.982 67 Y HN 0.350 nan 8.280 nan 0.000 0.515 68 A N 0.137 122.809 122.820 -0.246 0.000 1.902 68 A HA -0.247 4.068 4.320 -0.009 0.000 0.217 68 A C 2.110 179.401 177.584 -0.489 0.000 1.181 68 A CA 1.968 53.563 52.037 -0.737 0.000 0.623 68 A CB -0.706 17.745 19.000 -0.914 0.000 0.818 68 A HN 0.679 nan 8.150 nan 0.000 0.443 69 Q N -1.458 118.133 119.800 -0.349 0.000 2.172 69 Q HA -0.143 4.191 4.340 -0.009 0.000 0.200 69 Q C 2.314 178.007 176.000 -0.511 0.000 0.964 69 Q CA 1.376 56.924 55.803 -0.425 0.000 0.855 69 Q CB -0.109 28.553 28.738 -0.126 0.000 0.918 69 Q HN 0.526 nan 8.270 nan 0.000 0.444 70 R N 0.484 120.740 120.500 -0.408 0.000 2.090 70 R HA -0.102 4.233 4.340 -0.009 0.000 0.228 70 R C 1.684 177.491 176.300 -0.820 0.000 1.110 70 R CA 1.146 56.894 56.100 -0.587 0.000 0.973 70 R CB -0.619 29.364 30.300 -0.529 0.000 0.869 70 R HN 0.249 nan 8.270 nan 0.000 0.440 71 F N 0.470 119.982 119.950 -0.731 0.000 2.102 71 F HA -0.100 4.421 4.527 -0.010 0.000 0.298 71 F C 2.025 177.685 175.800 -0.233 0.000 1.105 71 F CA 1.793 59.569 58.000 -0.373 0.000 1.239 71 F CB -0.528 38.384 39.000 -0.146 0.000 0.991 71 F HN 0.137 nan 8.300 nan 0.000 0.474 72 A N -0.265 122.499 122.820 -0.094 0.000 1.908 72 A HA -0.302 4.012 4.320 -0.009 0.000 0.218 72 A C 2.045 179.432 177.584 -0.329 0.000 1.181 72 A CA 1.933 53.824 52.037 -0.243 0.000 0.627 72 A CB -1.034 17.567 19.000 -0.665 0.000 0.818 72 A HN 0.540 nan 8.150 nan 0.000 0.445 73 Q N 0.136 119.658 119.800 -0.463 0.000 2.084 73 Q HA -0.113 4.221 4.340 -0.009 0.000 0.202 73 Q C 2.246 178.138 176.000 -0.180 0.000 0.978 73 Q CA 2.295 57.956 55.803 -0.237 0.000 0.844 73 Q CB -0.551 28.042 28.738 -0.243 0.000 0.898 73 Q HN 0.543 nan 8.270 nan 0.000 0.426 74 S N -1.054 114.493 115.700 -0.255 0.000 2.383 74 S HA -0.092 4.373 4.470 -0.009 0.000 0.227 74 S C 1.861 176.396 174.600 -0.109 0.000 1.026 74 S CA 1.065 59.203 58.200 -0.103 0.000 0.981 74 S CB -0.278 63.006 63.200 0.141 0.000 0.818 74 S HN 0.271 nan 8.310 nan 0.000 0.472 75 V N 2.004 121.832 119.914 -0.145 0.000 2.295 75 V HA -0.215 3.900 4.120 -0.009 0.000 0.246 75 V C 2.389 178.433 176.094 -0.084 0.000 1.049 75 V CA 1.940 64.157 62.300 -0.138 0.000 1.024 75 V CB -0.543 31.247 31.823 -0.055 0.000 0.648 75 V HN 0.451 nan 8.190 nan 0.000 0.447 76 K N 0.191 120.564 120.400 -0.045 0.000 2.032 76 K HA -0.244 4.071 4.320 -0.009 0.000 0.209 76 K C 2.030 178.618 176.600 -0.020 0.000 1.048 76 K CA 1.999 58.283 56.287 -0.005 0.000 0.927 76 K CB -0.207 32.326 32.500 0.056 0.000 0.712 76 K HN 0.441 nan 8.250 nan 0.000 0.441 77 N N 0.689 119.370 118.700 -0.032 0.000 2.104 77 N HA -0.158 4.577 4.740 -0.009 0.000 0.190 77 N C 1.529 177.020 175.510 -0.032 0.000 1.024 77 N CA 1.565 54.600 53.050 -0.025 0.000 0.853 77 N CB -0.450 38.025 38.487 -0.021 0.000 1.008 77 N HN 0.330 nan 8.380 nan 0.000 0.424 78 A N -0.240 122.543 122.820 -0.063 0.000 2.209 78 A HA 0.324 4.639 4.320 -0.009 0.000 0.212 78 A C 1.439 178.992 177.584 -0.052 0.000 1.158 78 A CA 1.012 53.006 52.037 -0.071 0.000 0.742 78 A CB -0.532 18.383 19.000 -0.143 0.000 0.790 78 A HN 0.378 nan 8.150 nan 0.000 0.472 79 G N -1.963 106.809 108.800 -0.046 0.000 2.149 79 G HA2 -0.209 3.745 3.960 -0.009 0.000 0.235 79 G HA3 -0.209 3.745 3.960 -0.009 0.000 0.235 79 G C 0.099 174.963 174.900 -0.059 0.000 1.018 79 G CA 0.592 45.671 45.100 -0.036 0.000 0.728 79 G HN 0.283 nan 8.290 nan 0.000 0.508 80 M N -1.063 118.486 119.600 -0.085 0.000 2.792 80 M HA 0.597 5.071 4.480 -0.009 0.000 0.294 80 M C 0.414 176.629 176.300 -0.141 0.000 1.215 80 M CA -0.418 54.809 55.300 -0.121 0.000 0.883 80 M CB 1.419 33.949 32.600 -0.117 0.000 1.620 80 M HN -0.013 nan 8.290 nan 0.000 0.511 81 K N 1.418 121.692 120.400 -0.209 0.000 2.340 81 K HA 0.734 5.048 4.320 -0.009 0.000 0.244 81 K C -0.813 175.732 176.600 -0.093 0.000 0.973 81 K CA -0.555 55.615 56.287 -0.196 0.000 0.828 81 K CB 2.557 34.805 32.500 -0.420 0.000 1.226 81 K HN 0.793 nan 8.250 nan 0.000 0.437 82 M N -0.345 119.234 119.600 -0.035 0.000 2.619 82 M HA 0.595 5.069 4.480 -0.009 0.000 0.297 82 M C -1.211 175.053 176.300 -0.060 0.000 1.229 82 M CA -0.810 54.504 55.300 0.024 0.000 0.860 82 M CB 1.873 34.578 32.600 0.175 0.000 1.741 82 M HN 0.413 nan 8.290 nan 0.000 0.462 83 I N 3.444 123.954 120.570 -0.101 0.000 2.495 83 I HA 0.406 4.571 4.170 -0.009 0.000 0.277 83 I C -2.386 173.619 176.117 -0.187 0.000 1.045 83 I CA -1.777 59.410 61.300 -0.188 0.000 1.135 83 I CB 1.866 39.702 38.000 -0.273 0.000 1.241 83 I HN 0.490 nan 8.210 nan 0.000 0.469 84 P HA 0.309 nan 4.420 nan 0.000 0.278 84 P C -0.675 176.442 177.300 -0.305 0.000 1.238 84 P CA -0.075 62.865 63.100 -0.266 0.000 0.794 84 P CB 1.599 33.351 31.700 0.087 0.000 0.955 85 I N 3.464 123.790 120.570 -0.408 0.000 2.389 85 I HA 0.252 4.416 4.170 -0.009 0.000 0.288 85 I C 0.532 176.408 176.117 -0.402 0.000 0.999 85 I CA -1.047 60.056 61.300 -0.328 0.000 1.129 85 I CB 1.461 39.261 38.000 -0.334 0.000 1.288 85 I HN 0.094 nan 8.210 nan 0.000 0.444 86 I N 5.144 125.485 120.570 -0.381 0.000 2.293 86 I HA 0.069 4.234 4.170 -0.009 0.000 0.299 86 I C 0.495 176.463 176.117 -0.248 0.000 1.153 86 I CA 0.295 61.371 61.300 -0.373 0.000 1.302 86 I CB -0.437 37.344 38.000 -0.364 0.000 1.460 86 I HN 0.481 nan 8.210 nan 0.000 0.552 87 S N 4.290 119.806 115.700 -0.307 0.000 3.065 87 S HA 0.073 4.538 4.470 -0.009 0.000 0.311 87 S C 1.418 175.975 174.600 -0.072 0.000 1.204 87 S CA -0.398 57.620 58.200 -0.303 0.000 1.040 87 S CB -0.259 62.394 63.200 -0.912 0.000 1.436 87 S HN 0.705 nan 8.310 nan 0.000 0.532 88 T N 0.051 114.617 114.554 0.019 0.000 3.324 88 T HA 0.069 4.413 4.350 -0.009 0.000 0.250 88 T C 0.471 175.418 174.700 0.412 0.000 1.059 88 T CA -0.354 61.830 62.100 0.140 0.000 0.951 88 T CB -0.573 68.021 68.868 -0.457 0.000 1.030 88 T HN 0.749 nan 8.240 nan 0.000 0.576 89 H N -1.095 118.194 119.070 0.364 0.000 2.812 89 H HA 0.514 5.064 4.556 -0.009 0.000 0.355 89 H C -0.774 174.771 175.328 0.361 0.000 1.207 89 H CA -1.134 55.119 56.048 0.342 0.000 1.217 89 H CB 1.243 31.166 29.762 0.268 0.000 1.874 89 H HN 0.221 nan 8.280 nan 0.000 0.581 90 Q N 0.778 120.753 119.800 0.292 0.000 2.288 90 Q HA 0.286 4.621 4.340 -0.009 0.000 0.254 90 Q C -0.957 175.008 176.000 -0.058 0.000 0.932 90 Q CA -0.550 55.295 55.803 0.070 0.000 0.902 90 Q CB 0.838 29.621 28.738 0.075 0.000 1.203 90 Q HN 0.571 nan 8.270 nan 0.000 0.415 91 c N 4.835 123.127 118.600 -0.513 0.000 2.307 91 c HA 0.667 5.231 4.570 -0.009 0.000 0.340 91 c C 1.371 175.238 174.090 -0.370 0.000 1.275 91 c CA 0.763 56.639 56.329 -0.754 0.000 1.811 91 c CB -0.841 40.648 42.510 -1.702 0.000 2.372 91 c HN 1.117 nan 8.230 nan 0.000 0.531 92 G N 4.207 112.891 108.800 -0.192 0.000 2.698 92 G HA2 0.039 3.994 3.960 -0.009 0.000 0.337 92 G HA3 0.039 3.994 3.960 -0.009 0.000 0.337 92 G C 1.265 176.103 174.900 -0.105 0.000 1.286 92 G CA 1.335 46.363 45.100 -0.119 0.000 1.000 92 G HN 2.576 nan 8.290 nan 0.000 0.547 93 G N -1.618 107.117 108.800 -0.108 0.000 2.179 93 G HA2 -0.297 3.658 3.960 -0.009 0.000 0.260 93 G HA3 -0.297 3.658 3.960 -0.009 0.000 0.260 93 G C 0.473 175.336 174.900 -0.062 0.000 0.977 93 G CA 1.376 46.423 45.100 -0.088 0.000 0.641 93 G HN 0.997 nan 8.290 nan 0.000 0.533 94 N N -0.763 117.906 118.700 -0.051 0.000 2.752 94 N HA 0.459 5.194 4.740 -0.009 0.000 0.316 94 N C 0.832 176.322 175.510 -0.033 0.000 1.343 94 N CA -0.013 53.015 53.050 -0.037 0.000 0.875 94 N CB 0.388 38.859 38.487 -0.026 0.000 1.120 94 N HN 0.120 nan 8.380 nan 0.000 0.562 95 V N 1.684 121.583 119.914 -0.025 0.000 2.442 95 V HA 0.081 4.195 4.120 -0.009 0.000 0.272 95 V C 1.288 177.369 176.094 -0.021 0.000 0.989 95 V CA 0.613 62.900 62.300 -0.021 0.000 1.123 95 V CB -0.829 30.985 31.823 -0.015 0.000 1.008 95 V HN 0.894 nan 8.190 nan 0.000 0.469 96 G N 3.650 112.435 108.800 -0.024 0.000 2.356 96 G HA2 -0.222 3.732 3.960 -0.009 0.000 0.296 96 G HA3 -0.222 3.732 3.960 -0.009 0.000 0.296 96 G C -0.052 174.833 174.900 -0.024 0.000 1.022 96 G CA 0.173 45.260 45.100 -0.023 0.000 0.961 96 G HN 0.713 nan 8.290 nan 0.000 0.510 97 D N 0.258 120.638 120.400 -0.033 0.000 2.341 97 D HA 0.288 4.922 4.640 -0.009 0.000 0.245 97 D C 1.472 177.746 176.300 -0.044 0.000 1.106 97 D CA -0.189 53.789 54.000 -0.037 0.000 0.905 97 D CB 0.795 41.566 40.800 -0.049 0.000 1.202 97 D HN 0.341 nan 8.370 nan 0.000 0.426 98 D N -0.182 120.197 120.400 -0.036 0.000 2.371 98 D HA -0.063 4.572 4.640 -0.009 0.000 0.234 98 D C 0.558 176.817 176.300 -0.068 0.000 1.049 98 D CA -0.124 53.855 54.000 -0.036 0.000 0.907 98 D CB -0.790 40.004 40.800 -0.009 0.000 0.891 98 D HN 0.313 nan 8.370 nan 0.000 0.531 99 c N -1.924 116.612 118.600 -0.106 0.000 3.303 99 c HA 0.713 5.278 4.570 -0.009 0.000 0.340 99 c C -1.543 172.425 174.090 -0.204 0.000 1.274 99 c CA -1.346 54.877 56.329 -0.177 0.000 1.234 99 c CB 1.029 43.385 42.510 -0.255 0.000 1.532 99 c HN 0.117 nan 8.230 nan 0.000 0.483 100 N N 0.685 119.244 118.700 -0.236 0.000 2.653 100 N HA 0.569 5.304 4.740 -0.009 0.000 0.261 100 N C -1.506 173.851 175.510 -0.255 0.000 1.216 100 N CA -0.251 52.672 53.050 -0.211 0.000 0.784 100 N CB 1.386 39.791 38.487 -0.138 0.000 1.327 100 N HN 0.843 nan 8.380 nan 0.000 0.539 101 V N 4.581 124.280 119.914 -0.358 0.000 2.465 101 V HA 0.452 4.567 4.120 -0.009 0.000 0.263 101 V C -2.094 173.848 176.094 -0.254 0.000 0.981 101 V CA -1.121 60.970 62.300 -0.347 0.000 0.838 101 V CB 1.026 32.503 31.823 -0.578 0.000 1.068 101 V HN 0.466 nan 8.190 nan 0.000 0.458 102 P HA 0.345 nan 4.420 nan 0.000 0.274 102 P C 0.226 177.477 177.300 -0.083 0.000 1.256 102 P CA -0.304 62.755 63.100 -0.070 0.000 0.795 102 P CB 1.403 33.082 31.700 -0.035 0.000 1.038 103 I N -2.834 117.696 120.570 -0.067 0.000 2.779 103 I HA 0.291 4.456 4.170 -0.009 0.000 0.285 103 I C -2.330 173.489 176.117 -0.496 0.000 1.134 103 I CA -2.592 58.518 61.300 -0.316 0.000 1.398 103 I CB -0.859 36.931 38.000 -0.349 0.000 1.404 103 I HN 0.086 nan 8.210 nan 0.000 0.587 104 P HA -0.071 nan 4.420 nan 0.000 0.259 104 P C 0.685 177.503 177.300 -0.804 0.000 1.163 104 P CA 0.425 63.032 63.100 -0.821 0.000 0.760 104 P CB 0.551 31.508 31.700 -1.239 0.000 0.762 105 S N 3.703 119.208 115.700 -0.324 0.000 2.442 105 S HA -0.160 4.305 4.470 -0.009 0.000 0.236 105 S C 1.594 176.161 174.600 -0.056 0.000 1.007 105 S CA 0.487 58.661 58.200 -0.044 0.000 0.965 105 S CB -0.997 62.242 63.200 0.065 0.000 0.773 105 S HN 0.688 nan 8.310 nan 0.000 0.504 106 W N 1.537 122.788 121.300 -0.083 0.000 2.465 106 W HA 0.093 4.747 4.660 -0.009 0.000 0.268 106 W C 1.292 177.740 176.519 -0.119 0.000 1.242 106 W CA 0.422 57.724 57.345 -0.073 0.000 1.248 106 W CB -1.020 28.389 29.460 -0.085 0.000 1.118 106 W HN 0.148 nan 8.180 nan 0.000 0.587 107 V N 1.157 120.564 119.914 -0.844 0.000 2.332 107 V HA -0.311 3.803 4.120 -0.009 0.000 0.248 107 V C 2.120 177.943 176.094 -0.452 0.000 1.055 107 V CA 2.443 64.247 62.300 -0.827 0.000 1.038 107 V CB -1.160 29.861 31.823 -1.336 0.000 0.651 107 V HN 0.207 nan 8.190 nan 0.000 0.450 108 W N 0.354 121.567 121.300 -0.145 0.000 2.421 108 W HA -0.088 4.567 4.660 -0.009 0.000 0.270 108 W C 2.135 178.658 176.519 0.008 0.000 1.233 108 W CA 0.601 57.918 57.345 -0.047 0.000 1.226 108 W CB -0.631 28.794 29.460 -0.059 0.000 1.121 108 W HN 0.279 nan 8.180 nan 0.000 0.579 109 N N 0.324 119.141 118.700 0.194 0.000 2.515 109 N HA -0.089 4.646 4.740 -0.009 0.000 0.185 109 N C 1.230 176.814 175.510 0.124 0.000 1.109 109 N CA 0.779 53.925 53.050 0.159 0.000 0.903 109 N CB -0.437 38.142 38.487 0.154 0.000 0.969 109 N HN 0.463 nan 8.380 nan 0.000 0.450 110 Q N -0.216 119.649 119.800 0.108 0.000 2.472 110 Q HA 0.088 4.422 4.340 -0.009 0.000 0.208 110 Q C -0.114 175.917 176.000 0.052 0.000 0.958 110 Q CA 0.774 56.627 55.803 0.083 0.000 0.932 110 Q CB 0.414 29.202 28.738 0.083 0.000 1.007 110 Q HN 0.085 nan 8.270 nan 0.000 0.508 111 K N -0.299 120.138 120.400 0.060 0.000 2.426 111 K HA 0.219 4.533 4.320 -0.009 0.000 0.251 111 K C 0.159 176.794 176.600 0.057 0.000 0.941 111 K CA -0.209 56.094 56.287 0.028 0.000 0.808 111 K CB 1.984 34.472 32.500 -0.020 0.000 1.265 111 K HN -0.082 nan 8.250 nan 0.000 0.432 112 S N -1.176 114.544 115.700 0.034 0.000 2.524 112 S HA 0.021 4.486 4.470 -0.009 0.000 0.215 112 S C 0.377 175.006 174.600 0.049 0.000 0.986 112 S CA -0.041 58.189 58.200 0.050 0.000 0.911 112 S CB -0.123 63.102 63.200 0.042 0.000 0.805 112 S HN 0.631 nan 8.310 nan 0.000 0.501 113 D N 1.845 122.252 120.400 0.012 0.000 2.567 113 D HA 0.286 4.920 4.640 -0.009 0.000 0.275 113 D C -0.339 175.945 176.300 -0.027 0.000 1.195 113 D CA -0.522 53.478 54.000 -0.000 0.000 1.087 113 D CB -0.082 40.697 40.800 -0.035 0.000 1.165 113 D HN 0.125 nan 8.370 nan 0.000 0.609 114 D N -1.809 118.527 120.400 -0.105 0.000 2.491 114 D HA 0.044 4.678 4.640 -0.009 0.000 0.228 114 D C 0.997 176.977 176.300 -0.533 0.000 1.183 114 D CA -0.194 53.574 54.000 -0.387 0.000 0.827 114 D CB -0.286 40.328 40.800 -0.311 0.000 0.989 114 D HN 0.228 nan 8.370 nan 0.000 0.494 115 S N -0.107 115.309 115.700 -0.473 0.000 2.428 115 S HA -0.085 4.379 4.470 -0.009 0.000 0.230 115 S C 1.783 176.146 174.600 -0.396 0.000 1.014 115 S CA 0.243 58.039 58.200 -0.672 0.000 0.957 115 S CB -0.587 61.813 63.200 -1.332 0.000 0.784 115 S HN 0.349 nan 8.310 nan 0.000 0.499 116 L N 0.086 121.165 121.223 -0.241 0.000 2.341 116 L HA 0.199 4.533 4.340 -0.009 0.000 0.214 116 L C 1.096 178.057 176.870 0.151 0.000 1.115 116 L CA 0.230 55.074 54.840 0.008 0.000 0.820 116 L CB -0.446 41.760 42.059 0.246 0.000 0.944 116 L HN 0.538 nan 8.230 nan 0.000 0.452 117 Y N -2.961 117.369 120.300 0.051 0.000 2.753 117 Y HA 0.693 5.237 4.550 -0.009 0.000 0.324 117 Y C -0.515 175.262 175.900 -0.206 0.000 1.147 117 Y CA -2.126 55.956 58.100 -0.029 0.000 1.173 117 Y CB 0.300 38.770 38.460 0.017 0.000 1.361 117 Y HN -0.304 nan 8.280 nan 0.000 0.545 118 F N 0.355 120.532 119.950 0.378 0.000 2.507 118 F HA 0.635 5.156 4.527 -0.009 0.000 0.327 118 F C -0.048 175.952 175.800 0.334 0.000 1.068 118 F CA -1.047 57.128 58.000 0.291 0.000 0.965 118 F CB 1.971 41.126 39.000 0.259 0.000 1.192 118 F HN 0.353 nan 8.300 nan 0.000 0.476 119 K N 1.185 121.876 120.400 0.485 0.000 2.482 119 K HA 0.479 4.794 4.320 -0.009 0.000 0.251 119 K C -0.604 176.243 176.600 0.412 0.000 0.936 119 K CA -0.459 56.061 56.287 0.388 0.000 0.791 119 K CB 1.870 34.578 32.500 0.347 0.000 1.213 119 K HN 0.864 nan 8.250 nan 0.000 0.428 120 S N 2.035 117.899 115.700 0.274 0.000 2.671 120 S HA 0.161 4.625 4.470 -0.009 0.000 0.272 120 S C 1.009 175.535 174.600 -0.124 0.000 1.174 120 S CA -0.277 58.043 58.200 0.200 0.000 1.004 120 S CB 0.992 64.249 63.200 0.095 0.000 1.077 120 S HN 0.713 nan 8.310 nan 0.000 0.553 121 E N 0.446 120.403 120.200 -0.405 0.000 2.097 121 E HA -0.151 4.194 4.350 -0.009 0.000 0.196 121 E C 1.668 177.985 176.600 -0.473 0.000 1.000 121 E CA 1.822 57.687 56.400 -0.892 0.000 0.804 121 E CB -0.520 28.938 29.700 -0.403 0.000 0.740 121 E HN 0.905 nan 8.360 nan 0.000 0.454 122 T N -3.295 111.133 114.554 -0.210 0.000 3.144 122 T HA 0.342 4.686 4.350 -0.009 0.000 0.249 122 T C 1.293 175.961 174.700 -0.053 0.000 1.089 122 T CA 0.283 62.317 62.100 -0.110 0.000 0.989 122 T CB 0.773 69.605 68.868 -0.060 0.000 0.992 122 T HN 0.303 nan 8.240 nan 0.000 0.540 123 G N 1.063 109.843 108.800 -0.033 0.000 2.175 123 G HA2 -0.238 3.717 3.960 -0.009 0.000 0.244 123 G HA3 -0.238 3.717 3.960 -0.009 0.000 0.244 123 G C 0.147 175.083 174.900 0.062 0.000 0.982 123 G CA -0.083 45.039 45.100 0.037 0.000 0.641 123 G HN 0.672 nan 8.290 nan 0.000 0.527 124 T N 1.582 116.167 114.554 0.052 0.000 2.799 124 T HA 0.443 4.787 4.350 -0.009 0.000 0.296 124 T C 0.688 175.452 174.700 0.107 0.000 0.947 124 T CA -0.011 62.123 62.100 0.056 0.000 1.141 124 T CB 2.104 70.995 68.868 0.039 0.000 0.891 124 T HN 0.396 nan 8.240 nan 0.000 0.533 125 V N 5.101 125.062 119.914 0.080 0.000 2.546 125 V HA 0.314 4.428 4.120 -0.009 0.000 0.284 125 V C 0.533 176.677 176.094 0.083 0.000 1.050 125 V CA -0.703 61.662 62.300 0.107 0.000 0.981 125 V CB 1.238 33.030 31.823 -0.051 0.000 0.990 125 V HN 0.822 nan 8.190 nan 0.000 0.474 126 N N 3.657 122.482 118.700 0.208 0.000 2.296 126 N HA 0.421 5.156 4.740 -0.009 0.000 0.294 126 N C -0.651 175.027 175.510 0.279 0.000 1.033 126 N CA -0.580 52.585 53.050 0.192 0.000 0.839 126 N CB 2.036 40.636 38.487 0.188 0.000 1.395 126 N HN 0.628 nan 8.380 nan 0.000 0.479 127 K N 2.361 122.835 120.400 0.123 0.000 2.972 127 K HA 0.196 4.510 4.320 -0.009 0.000 0.209 127 K C 0.078 176.870 176.600 0.319 0.000 1.128 127 K CA -0.067 56.302 56.287 0.136 0.000 1.024 127 K CB 0.844 33.055 32.500 -0.483 0.000 0.754 127 K HN 0.552 nan 8.250 nan 0.000 0.454 128 E N 0.559 120.938 120.200 0.298 0.000 2.427 128 E HA -0.034 4.311 4.350 -0.009 0.000 0.196 128 E C 0.381 177.196 176.600 0.358 0.000 1.028 128 E CA 0.601 57.156 56.400 0.257 0.000 0.864 128 E CB 0.535 30.324 29.700 0.149 0.000 0.813 128 E HN 0.072 nan 8.360 nan 0.000 0.514 129 T N -0.816 114.025 114.554 0.478 0.000 2.770 129 T HA 0.260 4.605 4.350 -0.009 0.000 0.323 129 T C -1.542 173.465 174.700 0.511 0.000 1.683 129 T CA -0.775 61.610 62.100 0.474 0.000 1.024 129 T CB 0.596 69.709 68.868 0.409 0.000 1.557 129 T HN -0.058 nan 8.240 nan 0.000 0.494 130 L N 3.390 124.825 121.223 0.352 0.000 2.426 130 L HA 0.349 4.684 4.340 -0.009 0.000 0.271 130 L C 1.044 177.919 176.870 0.008 0.000 1.169 130 L CA -0.664 54.269 54.840 0.155 0.000 0.836 130 L CB 0.375 42.480 42.059 0.077 0.000 1.112 130 L HN 0.614 nan 8.230 nan 0.000 0.465 131 N N 5.407 123.938 118.700 -0.282 0.000 2.468 131 N HA 0.039 4.774 4.740 -0.009 0.000 0.265 131 N C -1.550 173.785 175.510 -0.293 0.000 1.199 131 N CA -1.434 51.254 53.050 -0.604 0.000 0.928 131 N CB 1.231 39.278 38.487 -0.735 0.000 1.059 131 N HN 0.339 nan 8.380 nan 0.000 0.467 132 P HA -0.119 nan 4.420 nan 0.000 0.229 132 P C 1.402 178.617 177.300 -0.142 0.000 1.150 132 P CA 0.765 63.641 63.100 -0.374 0.000 0.765 132 P CB 0.415 31.721 31.700 -0.657 0.000 0.783 133 L N -0.510 120.670 121.223 -0.072 0.000 2.156 133 L HA 0.008 4.342 4.340 -0.009 0.000 0.208 133 L C 1.721 178.699 176.870 0.181 0.000 1.095 133 L CA 0.622 55.520 54.840 0.098 0.000 0.770 133 L CB -0.621 41.582 42.059 0.240 0.000 0.914 133 L HN -0.098 nan 8.230 nan 0.000 0.439 134 A N -0.213 122.631 122.820 0.040 0.000 3.063 134 A HA 0.177 4.491 4.320 -0.009 0.000 0.263 134 A C 1.581 179.138 177.584 -0.045 0.000 1.736 134 A CA 0.229 52.248 52.037 -0.031 0.000 1.408 134 A CB -0.376 18.536 19.000 -0.145 0.000 1.108 134 A HN 0.405 nan 8.150 nan 0.000 0.621 135 S N 0.790 116.493 115.700 0.006 0.000 2.423 135 S HA -0.181 4.284 4.470 -0.009 0.000 0.231 135 S C 1.440 176.013 174.600 -0.045 0.000 1.014 135 S CA 1.073 59.258 58.200 -0.026 0.000 0.965 135 S CB -0.275 62.932 63.200 0.012 0.000 0.785 135 S HN 0.764 nan 8.310 nan 0.000 0.495 136 D N 2.228 122.617 120.400 -0.017 0.000 2.117 136 D HA -0.094 4.540 4.640 -0.009 0.000 0.198 136 D C 1.939 178.219 176.300 -0.033 0.000 0.982 136 D CA 1.092 55.083 54.000 -0.015 0.000 0.828 136 D CB -0.842 39.962 40.800 0.006 0.000 0.967 136 D HN 0.425 nan 8.370 nan 0.000 0.464 137 V N 0.793 120.677 119.914 -0.050 0.000 2.453 137 V HA -0.110 4.005 4.120 -0.009 0.000 0.247 137 V C 2.743 178.789 176.094 -0.079 0.000 1.048 137 V CA 0.820 63.098 62.300 -0.038 0.000 1.049 137 V CB -0.390 31.405 31.823 -0.048 0.000 0.672 137 V HN 0.140 nan 8.190 nan 0.000 0.457 138 I N -0.023 120.433 120.570 -0.190 0.000 2.252 138 I HA -0.233 3.931 4.170 -0.009 0.000 0.245 138 I C 2.753 178.651 176.117 -0.365 0.000 1.102 138 I CA 1.694 62.719 61.300 -0.459 0.000 1.385 138 I CB -0.362 37.311 38.000 -0.544 0.000 1.064 138 I HN 0.217 nan 8.210 nan 0.000 0.414 139 R N 1.450 121.829 120.500 -0.202 0.000 2.081 139 R HA -0.241 4.094 4.340 -0.009 0.000 0.235 139 R C 2.327 178.582 176.300 -0.075 0.000 1.131 139 R CA 1.827 57.850 56.100 -0.128 0.000 0.960 139 R CB -0.167 30.090 30.300 -0.072 0.000 0.856 139 R HN 0.238 nan 8.270 nan 0.000 0.436 140 K N 0.139 120.519 120.400 -0.034 0.000 1.973 140 K HA -0.154 4.161 4.320 -0.009 0.000 0.210 140 K C 1.834 178.471 176.600 0.061 0.000 1.045 140 K CA 1.688 57.989 56.287 0.024 0.000 0.937 140 K CB -0.020 32.512 32.500 0.053 0.000 0.721 140 K HN 0.137 nan 8.250 nan 0.000 0.438 141 E N -0.011 120.250 120.200 0.102 0.000 2.072 141 E HA -0.180 4.165 4.350 -0.009 0.000 0.191 141 E C 2.171 178.788 176.600 0.027 0.000 0.985 141 E CA 1.231 57.744 56.400 0.189 0.000 0.801 141 E CB -0.391 29.520 29.700 0.351 0.000 0.750 141 E HN 0.424 nan 8.360 nan 0.000 0.452 142 Y N 0.873 120.928 120.300 -0.409 0.000 2.263 142 Y HA -0.001 4.544 4.550 -0.009 0.000 0.292 142 Y C 2.575 177.998 175.900 -0.795 0.000 1.130 142 Y CA 0.811 58.437 58.100 -0.790 0.000 1.179 142 Y CB -1.129 36.843 38.460 -0.814 0.000 0.998 142 Y HN 0.081 nan 8.280 nan 0.000 0.532 143 G N -0.202 108.454 108.800 -0.241 0.000 2.421 143 G HA2 -0.245 3.710 3.960 -0.009 0.000 0.216 143 G HA3 -0.245 3.710 3.960 -0.009 0.000 0.216 143 G C 1.548 176.411 174.900 -0.062 0.000 1.171 143 G CA 1.020 46.035 45.100 -0.141 0.000 0.775 143 G HN 0.408 nan 8.290 nan 0.000 0.543 144 E N -0.384 119.827 120.200 0.019 0.000 2.077 144 E HA -0.091 4.254 4.350 -0.009 0.000 0.193 144 E C 2.380 179.075 176.600 0.158 0.000 0.989 144 E CA 0.742 57.231 56.400 0.148 0.000 0.800 144 E CB -0.150 29.713 29.700 0.272 0.000 0.746 144 E HN 0.342 nan 8.360 nan 0.000 0.452 145 L N 0.139 121.404 121.223 0.070 0.000 2.072 145 L HA -0.147 4.188 4.340 -0.009 0.000 0.205 145 L C 1.958 178.882 176.870 0.090 0.000 1.079 145 L CA 1.620 56.489 54.840 0.048 0.000 0.752 145 L CB -0.509 41.451 42.059 -0.165 0.000 0.906 145 L HN 0.206 nan 8.230 nan 0.000 0.436 146 Y N -0.712 119.538 120.300 -0.083 0.000 2.128 146 Y HA -0.294 4.251 4.550 -0.008 0.000 0.284 146 Y C 2.471 178.267 175.900 -0.175 0.000 1.154 146 Y CA 1.170 59.203 58.100 -0.111 0.000 1.149 146 Y CB -0.653 37.655 38.460 -0.253 0.000 0.976 146 Y HN 0.217 nan 8.280 nan 0.000 0.505 147 T N 0.087 114.633 114.554 -0.013 0.000 2.708 147 T HA -0.219 4.126 4.350 -0.009 0.000 0.266 147 T C 2.086 176.743 174.700 -0.072 0.000 1.037 147 T CA 1.220 63.279 62.100 -0.069 0.000 1.146 147 T CB -0.530 68.318 68.868 -0.034 0.000 0.865 147 T HN 0.460 nan 8.240 nan 0.000 0.435 148 A N 0.776 123.522 122.820 -0.124 0.000 1.933 148 A HA -0.001 4.314 4.320 -0.009 0.000 0.218 148 A C 2.010 179.273 177.584 -0.536 0.000 1.175 148 A CA 1.205 53.066 52.037 -0.293 0.000 0.628 148 A CB -0.912 17.672 19.000 -0.694 0.000 0.814 148 A HN 0.489 nan 8.150 nan 0.000 0.444 149 F N 0.938 120.534 119.950 -0.590 0.000 2.113 149 F HA -0.028 4.493 4.527 -0.010 0.000 0.297 149 F C 2.518 178.152 175.800 -0.275 0.000 1.103 149 F CA 1.142 58.718 58.000 -0.706 0.000 1.248 149 F CB -0.406 38.449 39.000 -0.241 0.000 0.999 149 F HN 0.249 nan 8.300 nan 0.000 0.475 150 A N 0.517 123.436 122.820 0.164 0.000 1.883 150 A HA -0.137 4.178 4.320 -0.009 0.000 0.217 150 A C 2.416 180.060 177.584 0.100 0.000 1.186 150 A CA 2.018 54.293 52.037 0.396 0.000 0.624 150 A CB -1.624 17.625 19.000 0.416 0.000 0.822 150 A HN 0.514 nan 8.150 nan 0.000 0.444 151 A N -0.329 122.446 122.820 -0.075 0.000 1.902 151 A HA 0.162 4.477 4.320 -0.009 0.000 0.217 151 A C 2.485 179.975 177.584 -0.156 0.000 1.181 151 A CA 2.126 54.099 52.037 -0.106 0.000 0.623 151 A CB -0.945 18.001 19.000 -0.090 0.000 0.818 151 A HN 1.086 nan 8.150 nan 0.000 0.443 152 A N -1.393 121.234 122.820 -0.323 0.000 1.968 152 A HA 0.004 4.319 4.320 -0.009 0.000 0.217 152 A C 1.988 179.428 177.584 -0.240 0.000 1.169 152 A CA 1.724 53.570 52.037 -0.318 0.000 0.638 152 A CB -0.325 18.303 19.000 -0.621 0.000 0.812 152 A HN 0.404 nan 8.150 nan 0.000 0.446 153 M N -0.663 118.738 119.600 -0.331 0.000 2.541 153 M HA 0.093 4.567 4.480 -0.009 0.000 0.252 153 M C 1.690 178.109 176.300 0.199 0.000 1.125 153 M CA 0.703 55.939 55.300 -0.107 0.000 1.091 153 M CB -0.923 31.394 32.600 -0.473 0.000 1.420 153 M HN 0.560 nan 8.290 nan 0.000 0.486 154 K N 1.406 121.861 120.400 0.093 0.000 2.077 154 K HA -0.196 4.119 4.320 -0.009 0.000 0.213 154 K C -1.025 175.494 176.600 -0.135 0.000 1.051 154 K CA 1.841 58.077 56.287 -0.084 0.000 0.929 154 K CB -0.840 31.560 32.500 -0.166 0.000 0.715 154 K HN 0.142 nan 8.250 nan 0.000 0.451 155 P HA -0.122 nan 4.420 nan 0.000 0.225 155 P C -0.170 176.777 177.300 -0.589 0.000 1.148 155 P CA 1.162 63.971 63.100 -0.484 0.000 0.779 155 P CB 0.081 31.343 31.700 -0.730 0.000 0.780 156 Y N -0.994 119.307 120.300 0.001 0.000 2.681 156 Y HA 0.196 4.740 4.550 -0.010 0.000 0.267 156 Y C 1.808 177.764 175.900 0.093 0.000 1.166 156 Y CA -0.590 57.522 58.100 0.019 0.000 1.209 156 Y CB -0.524 37.929 38.460 -0.011 0.000 1.161 156 Y HN -0.026 nan 8.280 nan 0.000 0.534 157 K N 0.241 120.777 120.400 0.227 0.000 2.211 157 K HA -0.217 4.098 4.320 -0.009 0.000 0.204 157 K C 1.010 177.731 176.600 0.202 0.000 1.047 157 K CA 2.076 58.565 56.287 0.337 0.000 0.935 157 K CB -0.320 32.228 32.500 0.080 0.000 0.728 157 K HN 0.380 nan 8.250 nan 0.000 0.452 158 D N 1.704 122.170 120.400 0.110 0.000 2.310 158 D HA -0.118 4.516 4.640 -0.009 0.000 0.212 158 D C 1.831 178.175 176.300 0.074 0.000 0.965 158 D CA 1.374 55.419 54.000 0.075 0.000 0.879 158 D CB 0.041 40.864 40.800 0.037 0.000 0.921 158 D HN 0.378 nan 8.370 nan 0.000 0.510 159 V N -1.924 118.048 119.914 0.097 0.000 3.660 159 V HA 0.281 4.396 4.120 -0.009 0.000 0.276 159 V C 1.014 177.128 176.094 0.033 0.000 1.317 159 V CA -0.460 61.874 62.300 0.057 0.000 1.097 159 V CB -0.478 31.389 31.823 0.073 0.000 0.863 159 V HN -0.057 nan 8.190 nan 0.000 0.438 160 I N 1.762 122.363 120.570 0.051 0.000 2.337 160 I HA 0.511 4.675 4.170 -0.009 0.000 0.291 160 I C 1.404 177.509 176.117 -0.020 0.000 1.046 160 I CA 0.287 61.573 61.300 -0.022 0.000 1.324 160 I CB 1.491 39.426 38.000 -0.107 0.000 1.409 160 I HN 0.191 nan 8.210 nan 0.000 0.494 161 A N 6.416 129.206 122.820 -0.050 0.000 2.044 161 A HA 0.153 4.467 4.320 -0.009 0.000 0.213 161 A C 0.805 178.347 177.584 -0.071 0.000 1.169 161 A CA 0.757 52.797 52.037 0.005 0.000 0.724 161 A CB 0.295 19.351 19.000 0.093 0.000 0.840 161 A HN 0.737 nan 8.150 nan 0.000 0.463 162 K N -1.292 118.988 120.400 -0.199 0.000 2.642 162 K HA 0.578 4.893 4.320 -0.009 0.000 0.290 162 K C -2.283 174.062 176.600 -0.425 0.000 1.006 162 K CA -0.672 55.430 56.287 -0.308 0.000 0.869 162 K CB 0.887 33.158 32.500 -0.381 0.000 1.499 162 K HN 0.096 nan 8.250 nan 0.000 0.403 163 I N 2.685 122.954 120.570 -0.502 0.000 2.498 163 I HA 0.362 4.527 4.170 -0.009 0.000 0.290 163 I C -1.227 174.590 176.117 -0.501 0.000 1.032 163 I CA -0.797 60.170 61.300 -0.554 0.000 1.073 163 I CB 1.696 39.223 38.000 -0.788 0.000 1.251 163 I HN 0.533 nan 8.210 nan 0.000 0.426 164 Y N 5.755 125.846 120.300 -0.348 0.000 2.387 164 Y HA 0.616 5.161 4.550 -0.008 0.000 0.336 164 Y C -0.219 175.510 175.900 -0.284 0.000 1.067 164 Y CA -0.813 57.130 58.100 -0.261 0.000 1.114 164 Y CB 1.777 40.105 38.460 -0.220 0.000 1.208 164 Y HN 0.262 nan 8.280 nan 0.000 0.458 165 L N 1.744 122.969 121.223 0.003 0.000 2.322 165 L HA 0.523 4.858 4.340 -0.009 0.000 0.269 165 L C -0.159 176.729 176.870 0.029 0.000 1.012 165 L CA -0.979 53.829 54.840 -0.054 0.000 0.815 165 L CB 1.850 43.877 42.059 -0.053 0.000 1.295 165 L HN 0.460 nan 8.230 nan 0.000 0.438 166 S N -0.000 115.735 115.700 0.059 0.000 2.422 166 S HA 0.417 4.882 4.470 -0.009 0.000 0.308 166 S C 0.752 175.471 174.600 0.200 0.000 1.097 166 S CA -0.381 57.896 58.200 0.128 0.000 1.099 166 S CB 1.013 64.374 63.200 0.269 0.000 0.976 166 S HN 0.799 nan 8.310 nan 0.000 0.471 167 G N 2.840 111.742 108.800 0.170 0.000 3.042 167 G HA2 0.544 4.498 3.960 -0.009 0.000 0.212 167 G HA3 0.544 4.498 3.960 -0.009 0.000 0.212 167 G C 0.643 175.673 174.900 0.216 0.000 1.166 167 G CA 0.194 45.447 45.100 0.255 0.000 0.767 167 G HN 1.157 nan 8.290 nan 0.000 0.546 168 G N -0.782 108.095 108.800 0.128 0.000 2.392 168 G HA2 0.402 4.356 3.960 -0.009 0.000 0.260 168 G HA3 0.402 4.356 3.960 -0.009 0.000 0.260 168 G C -3.312 171.571 174.900 -0.028 0.000 1.226 168 G CA -0.767 44.366 45.100 0.054 0.000 0.913 168 G HN -0.064 nan 8.290 nan 0.000 0.483 169 P HA 0.379 nan 4.420 nan 0.000 0.265 169 P C 0.613 177.764 177.300 -0.248 0.000 1.193 169 P CA 1.849 64.872 63.100 -0.128 0.000 0.765 169 P CB 1.173 32.755 31.700 -0.198 0.000 0.823 170 A N 3.572 126.206 122.820 -0.309 0.000 2.816 170 A HA -0.095 4.220 4.320 -0.009 0.000 0.270 170 A C 1.476 178.732 177.584 -0.546 0.000 1.413 170 A CA 1.412 53.259 52.037 -0.317 0.000 0.866 170 A CB -2.446 16.495 19.000 -0.099 0.000 1.032 170 A HN 1.082 nan 8.150 nan 0.000 0.642 171 G N -2.223 105.972 108.800 -1.007 0.000 2.143 171 G HA2 -0.181 3.774 3.960 -0.009 0.000 0.248 171 G HA3 -0.181 3.774 3.960 -0.009 0.000 0.248 171 G C -0.270 174.528 174.900 -0.171 0.000 0.991 171 G CA 0.984 45.787 45.100 -0.495 0.000 0.689 171 G HN 1.287 nan 8.290 nan 0.000 0.522 172 E N -0.955 119.168 120.200 -0.127 0.000 2.212 172 E HA 0.570 4.915 4.350 -0.009 0.000 0.268 172 E C -0.176 176.457 176.600 0.054 0.000 0.902 172 E CA -1.173 55.231 56.400 0.005 0.000 0.779 172 E CB 2.020 31.740 29.700 0.033 0.000 1.172 172 E HN 0.173 nan 8.360 nan 0.000 0.409 173 L N 4.903 126.222 121.223 0.160 0.000 2.536 173 L HA 0.201 4.536 4.340 -0.009 0.000 0.282 173 L C -0.355 176.599 176.870 0.139 0.000 1.147 173 L CA 0.864 55.804 54.840 0.167 0.000 0.936 173 L CB -0.884 41.339 42.059 0.273 0.000 1.279 173 L HN 0.610 nan 8.230 nan 0.000 0.461 174 R N 2.210 122.656 120.500 -0.090 0.000 2.789 174 R HA 0.323 4.658 4.340 -0.009 0.000 0.279 174 R C -1.571 174.490 176.300 -0.397 0.000 1.010 174 R CA -1.046 54.895 56.100 -0.264 0.000 0.855 174 R CB 0.326 30.478 30.300 -0.247 0.000 1.312 174 R HN 0.167 nan 8.270 nan 0.000 0.479 175 Y N 0.506 120.598 120.300 -0.347 0.000 2.376 175 Y HA 0.399 4.943 4.550 -0.009 0.000 0.325 175 Y C -1.596 174.040 175.900 -0.441 0.000 1.199 175 Y CA -2.183 55.675 58.100 -0.403 0.000 1.206 175 Y CB 1.482 39.769 38.460 -0.288 0.000 1.229 175 Y HN 0.390 nan 8.280 nan 0.000 0.480 176 P HA 0.014 nan 4.420 nan 0.000 0.225 176 P C 0.133 177.303 177.300 -0.217 0.000 1.768 176 P CA 0.167 63.033 63.100 -0.389 0.000 0.943 176 P CB -0.173 31.251 31.700 -0.461 0.000 1.936 177 S N -0.284 115.338 115.700 -0.131 0.000 2.489 177 S HA -0.090 4.374 4.470 -0.009 0.000 0.228 177 S C 0.660 175.349 174.600 0.148 0.000 0.995 177 S CA 0.024 58.234 58.200 0.015 0.000 0.934 177 S CB -1.055 62.162 63.200 0.028 0.000 0.771 177 S HN 0.421 nan 8.310 nan 0.000 0.522 178 Y N 1.679 122.015 120.300 0.061 0.000 2.555 178 Y HA 0.748 5.292 4.550 -0.009 0.000 0.326 178 Y C -0.326 175.624 175.900 0.083 0.000 0.984 178 Y CA -0.983 57.197 58.100 0.132 0.000 1.298 178 Y CB 0.415 39.072 38.460 0.328 0.000 1.094 178 Y HN 0.113 nan 8.280 nan 0.000 0.500 179 T N -1.991 112.646 114.554 0.138 0.000 2.903 179 T HA 0.301 4.646 4.350 -0.009 0.000 0.299 179 T C 0.874 175.613 174.700 0.064 0.000 1.093 179 T CA -0.189 61.949 62.100 0.064 0.000 1.002 179 T CB 1.592 70.463 68.868 0.004 0.000 1.127 179 T HN 0.643 nan 8.240 nan 0.000 0.488 180 T N -0.251 114.328 114.554 0.043 0.000 2.708 180 T HA -0.158 4.186 4.350 -0.009 0.000 0.266 180 T C 2.152 176.863 174.700 0.017 0.000 1.037 180 T CA 1.716 63.833 62.100 0.028 0.000 1.146 180 T CB -1.198 67.679 68.868 0.015 0.000 0.865 180 T HN 0.826 nan 8.240 nan 0.000 0.435 181 S N 1.300 117.006 115.700 0.010 0.000 2.447 181 S HA -0.086 4.378 4.470 -0.009 0.000 0.233 181 S C 1.679 176.285 174.600 0.010 0.000 1.006 181 S CA 1.148 59.350 58.200 0.004 0.000 0.957 181 S CB -0.504 62.693 63.200 -0.005 0.000 0.773 181 S HN 0.512 nan 8.310 nan 0.000 0.507 182 D N 1.226 121.637 120.400 0.020 0.000 2.350 182 D HA 0.208 4.843 4.640 -0.009 0.000 0.213 182 D C 1.301 177.616 176.300 0.026 0.000 1.031 182 D CA 0.600 54.614 54.000 0.024 0.000 0.861 182 D CB -0.292 40.528 40.800 0.034 0.000 0.926 182 D HN 0.500 nan 8.370 nan 0.000 0.520 183 G N 0.672 109.489 108.800 0.028 0.000 2.221 183 G HA2 -0.270 3.685 3.960 -0.009 0.000 0.265 183 G HA3 -0.270 3.685 3.960 -0.009 0.000 0.265 183 G C 0.741 175.667 174.900 0.042 0.000 1.041 183 G CA 0.932 46.048 45.100 0.026 0.000 0.807 183 G HN 0.463 nan 8.290 nan 0.000 0.502 184 T N -2.554 112.043 114.554 0.072 0.000 3.252 184 T HA 0.588 4.932 4.350 -0.009 0.000 0.286 184 T C 1.237 176.048 174.700 0.186 0.000 1.013 184 T CA 0.722 62.893 62.100 0.119 0.000 0.914 184 T CB 1.018 69.965 68.868 0.131 0.000 1.131 184 T HN 1.315 nan 8.240 nan 0.000 0.529 185 G N 0.786 109.658 108.800 0.121 0.000 2.667 185 G HA2 0.375 4.329 3.960 -0.009 0.000 0.250 185 G HA3 0.375 4.329 3.960 -0.009 0.000 0.250 185 G C -0.497 174.388 174.900 -0.025 0.000 1.212 185 G CA -0.793 44.373 45.100 0.110 0.000 0.874 185 G HN 0.480 nan 8.290 nan 0.000 0.561 186 Y N 1.701 121.761 120.300 -0.401 0.000 2.811 186 Y HA 0.200 4.745 4.550 -0.009 0.000 0.334 186 Y C -1.059 174.570 175.900 -0.451 0.000 1.247 186 Y CA -0.806 56.766 58.100 -0.879 0.000 1.526 186 Y CB 1.019 38.796 38.460 -1.138 0.000 1.284 186 Y HN 0.321 nan 8.280 nan 0.000 0.586 187 P HA 0.201 nan 4.420 nan 0.000 0.257 187 P C -0.819 176.322 177.300 -0.266 0.000 1.737 187 P CA -0.147 62.210 63.100 -1.238 0.000 1.130 187 P CB 0.205 31.123 31.700 -1.303 0.000 1.572 188 S N 1.084 116.720 115.700 -0.106 0.000 2.608 188 S HA 0.292 4.757 4.470 -0.009 0.000 0.261 188 S C 0.723 175.454 174.600 0.218 0.000 1.314 188 S CA -0.585 57.650 58.200 0.059 0.000 0.992 188 S CB 0.521 63.743 63.200 0.037 0.000 0.935 188 S HN 0.351 nan 8.310 nan 0.000 0.564 189 R N -0.019 120.553 120.500 0.121 0.000 2.615 189 R HA 0.604 4.939 4.340 -0.009 0.000 0.270 189 R C 0.476 176.816 176.300 0.068 0.000 1.081 189 R CA -0.576 55.568 56.100 0.073 0.000 1.154 189 R CB -0.065 30.251 30.300 0.026 0.000 1.063 189 R HN 0.593 nan 8.270 nan 0.000 0.519 190 G N 1.039 109.836 108.800 -0.005 0.000 2.528 190 G HA2 0.304 4.258 3.960 -0.009 0.000 0.289 190 G HA3 0.304 4.258 3.960 -0.009 0.000 0.289 190 G C -0.923 173.912 174.900 -0.108 0.000 1.192 190 G CA -0.978 44.117 45.100 -0.008 0.000 0.921 190 G HN 0.497 nan 8.290 nan 0.000 0.512 191 K N -0.352 120.006 120.400 -0.071 0.000 2.164 191 K HA 0.365 4.679 4.320 -0.009 0.000 0.258 191 K C -0.913 175.643 176.600 -0.073 0.000 0.951 191 K CA -0.447 55.804 56.287 -0.060 0.000 0.844 191 K CB 1.823 34.330 32.500 0.010 0.000 1.099 191 K HN 0.352 nan 8.250 nan 0.000 0.435 192 F N 1.696 121.697 119.950 0.084 0.000 2.518 192 F HA 0.009 4.531 4.527 -0.009 0.000 0.359 192 F C 1.316 177.298 175.800 0.303 0.000 1.118 192 F CA 0.201 58.267 58.000 0.109 0.000 1.287 192 F CB 0.714 39.711 39.000 -0.005 0.000 1.132 192 F HN 0.229 nan 8.300 nan 0.000 0.587 193 Q N 3.367 123.428 119.800 0.436 0.000 2.553 193 Q HA 0.378 4.712 4.340 -0.009 0.000 0.395 193 Q C -0.252 176.011 176.000 0.437 0.000 0.971 193 Q CA -0.121 55.938 55.803 0.427 0.000 1.090 193 Q CB 1.179 30.105 28.738 0.313 0.000 1.328 193 Q HN 0.664 nan 8.270 nan 0.000 0.413 194 A N 0.153 123.151 122.820 0.296 0.000 2.795 194 A HA 0.363 4.678 4.320 -0.009 0.000 0.282 194 A C -0.357 177.072 177.584 -0.259 0.000 0.964 194 A CA -0.290 51.821 52.037 0.124 0.000 1.045 194 A CB 0.019 19.176 19.000 0.261 0.000 1.174 194 A HN 0.293 nan 8.150 nan 0.000 0.493 195 Y N 0.524 120.948 120.300 0.207 0.000 2.507 195 Y HA 0.126 4.670 4.550 -0.009 0.000 0.254 195 Y C 1.470 177.453 175.900 0.139 0.000 1.171 195 Y CA 0.337 58.522 58.100 0.142 0.000 1.238 195 Y CB 0.200 38.727 38.460 0.112 0.000 1.148 195 Y HN 0.414 nan 8.280 nan 0.000 0.525 196 T N -2.207 112.474 114.554 0.211 0.000 2.868 196 T HA 0.049 4.393 4.350 -0.009 0.000 0.292 196 T C 1.159 175.943 174.700 0.141 0.000 1.028 196 T CA -0.565 61.626 62.100 0.151 0.000 1.059 196 T CB 1.256 70.151 68.868 0.044 0.000 0.991 196 T HN 0.101 nan 8.240 nan 0.000 0.531 197 E N 0.263 120.543 120.200 0.134 0.000 2.160 197 E HA -0.087 4.257 4.350 -0.009 0.000 0.195 197 E C 1.426 178.122 176.600 0.161 0.000 0.991 197 E CA 0.836 57.314 56.400 0.131 0.000 0.810 197 E CB -0.397 29.377 29.700 0.122 0.000 0.742 197 E HN 0.774 nan 8.360 nan 0.000 0.466 198 F N 1.379 121.340 119.950 0.020 0.000 2.186 198 F HA -0.078 4.443 4.527 -0.009 0.000 0.299 198 F C 2.245 178.103 175.800 0.096 0.000 1.090 198 F CA 1.159 59.179 58.000 0.034 0.000 1.307 198 F CB -0.282 38.708 39.000 -0.015 0.000 1.019 198 F HN -0.017 nan 8.300 nan 0.000 0.489 199 A N 0.209 123.123 122.820 0.156 0.000 1.898 199 A HA -0.185 4.130 4.320 -0.009 0.000 0.216 199 A C 2.242 179.881 177.584 0.092 0.000 1.181 199 A CA 1.731 53.888 52.037 0.199 0.000 0.620 199 A CB -0.609 18.555 19.000 0.273 0.000 0.819 199 A HN 0.420 nan 8.150 nan 0.000 0.442 200 K N 0.014 120.434 120.400 0.034 0.000 2.057 200 K HA -0.085 4.230 4.320 -0.009 0.000 0.207 200 K C 2.326 178.916 176.600 -0.017 0.000 1.049 200 K CA 1.560 57.849 56.287 0.002 0.000 0.931 200 K CB -0.230 32.286 32.500 0.027 0.000 0.714 200 K HN 0.408 nan 8.250 nan 0.000 0.440 201 S N 0.964 116.637 115.700 -0.045 0.000 2.368 201 S HA -0.081 4.384 4.470 -0.009 0.000 0.225 201 S C 1.753 176.283 174.600 -0.117 0.000 1.030 201 S CA 1.077 59.230 58.200 -0.079 0.000 0.999 201 S CB -0.030 63.115 63.200 -0.091 0.000 0.844 201 S HN 0.177 nan 8.310 nan 0.000 0.459 202 K N 1.036 121.340 120.400 -0.161 0.000 2.026 202 K HA 0.016 4.330 4.320 -0.009 0.000 0.208 202 K C 1.744 178.334 176.600 -0.016 0.000 1.048 202 K CA 1.003 57.270 56.287 -0.033 0.000 0.929 202 K CB -0.859 31.692 32.500 0.086 0.000 0.713 202 K HN 0.403 nan 8.250 nan 0.000 0.439 203 F N 2.248 121.883 119.950 -0.526 0.000 2.102 203 F HA -0.165 4.357 4.527 -0.009 0.000 0.298 203 F C 2.531 178.140 175.800 -0.319 0.000 1.105 203 F CA 1.561 58.917 58.000 -1.073 0.000 1.239 203 F CB -0.377 37.844 39.000 -1.299 0.000 0.991 203 F HN -0.041 nan 8.300 nan 0.000 0.474 204 R N 0.363 120.679 120.500 -0.307 0.000 2.096 204 R HA -0.181 4.153 4.340 -0.009 0.000 0.240 204 R C 2.319 178.509 176.300 -0.183 0.000 1.139 204 R CA 2.151 58.100 56.100 -0.252 0.000 0.952 204 R CB -0.550 29.690 30.300 -0.101 0.000 0.854 204 R HN 0.439 nan 8.270 nan 0.000 0.436 205 L N -1.156 120.009 121.223 -0.097 0.000 2.093 205 L HA -0.172 4.163 4.340 -0.009 0.000 0.208 205 L C 2.297 179.167 176.870 -0.001 0.000 1.085 205 L CA 1.153 55.969 54.840 -0.040 0.000 0.755 205 L CB -0.575 41.483 42.059 -0.002 0.000 0.904 205 L HN 0.393 nan 8.230 nan 0.000 0.435 206 W N 0.523 121.724 121.300 -0.165 0.000 2.355 206 W HA -0.178 4.477 4.660 -0.009 0.000 0.309 206 W C 2.312 178.733 176.519 -0.163 0.000 1.206 206 W CA 1.570 58.862 57.345 -0.089 0.000 1.284 206 W CB -0.246 29.222 29.460 0.013 0.000 1.145 206 W HN -0.231 nan 8.180 nan 0.000 0.502 207 V N 1.269 121.168 119.914 -0.025 0.000 2.295 207 V HA -0.334 3.781 4.120 -0.009 0.000 0.246 207 V C 2.316 178.276 176.094 -0.224 0.000 1.049 207 V CA 2.072 64.283 62.300 -0.149 0.000 1.024 207 V CB -1.072 30.629 31.823 -0.203 0.000 0.648 207 V HN 0.241 nan 8.190 nan 0.000 0.447 208 L N 0.270 121.378 121.223 -0.191 0.000 2.191 208 L HA -0.168 4.167 4.340 -0.009 0.000 0.212 208 L C 2.399 179.163 176.870 -0.177 0.000 1.103 208 L CA 1.560 56.306 54.840 -0.157 0.000 0.769 208 L CB -0.653 41.332 42.059 -0.123 0.000 0.908 208 L HN 0.493 nan 8.230 nan 0.000 0.438 209 N N 0.629 119.191 118.700 -0.230 0.000 2.250 209 N HA -0.194 4.540 4.740 -0.009 0.000 0.181 209 N C 1.930 177.226 175.510 -0.358 0.000 1.017 209 N CA 0.804 53.708 53.050 -0.244 0.000 0.866 209 N CB 0.256 38.612 38.487 -0.218 0.000 0.985 209 N HN 0.294 nan 8.380 nan 0.000 0.429 210 K N -0.264 119.793 120.400 -0.571 0.000 2.057 210 K HA -0.138 4.177 4.320 -0.009 0.000 0.206 210 K C 1.019 177.195 176.600 -0.706 0.000 1.050 210 K CA 1.342 57.169 56.287 -0.768 0.000 0.935 210 K CB -0.084 31.704 32.500 -1.187 0.000 0.715 210 K HN 0.246 nan 8.250 nan 0.000 0.439 211 Y N -1.012 119.122 120.300 -0.277 0.000 2.458 211 Y HA 0.226 4.771 4.550 -0.009 0.000 0.254 211 Y C 1.627 177.416 175.900 -0.184 0.000 1.120 211 Y CA 0.110 58.074 58.100 -0.225 0.000 1.282 211 Y CB 1.056 39.348 38.460 -0.280 0.000 1.109 211 Y HN 0.385 nan 8.280 nan 0.000 0.526 212 G N 0.368 109.119 108.800 -0.081 0.000 2.480 212 G HA2 -0.363 3.592 3.960 -0.009 0.000 0.246 212 G HA3 -0.363 3.592 3.960 -0.009 0.000 0.246 212 G C 0.466 175.328 174.900 -0.063 0.000 1.073 212 G CA 0.738 45.792 45.100 -0.076 0.000 0.643 212 G HN 0.450 nan 8.290 nan 0.000 0.525 213 S N -1.281 114.386 115.700 -0.056 0.000 2.546 213 S HA 0.610 5.074 4.470 -0.009 0.000 0.274 213 S C 0.776 175.310 174.600 -0.110 0.000 1.121 213 S CA 0.314 58.471 58.200 -0.073 0.000 0.887 213 S CB 1.579 64.742 63.200 -0.062 0.000 1.094 213 S HN 1.192 nan 8.310 nan 0.000 0.474 214 L N 4.447 125.601 121.223 -0.115 0.000 2.131 214 L HA 0.019 4.354 4.340 -0.009 0.000 0.210 214 L C 2.105 178.877 176.870 -0.163 0.000 1.092 214 L CA 2.030 56.781 54.840 -0.149 0.000 0.759 214 L CB -0.768 41.227 42.059 -0.106 0.000 0.903 214 L HN 0.892 nan 8.230 nan 0.000 0.435 215 N N -0.650 117.978 118.700 -0.120 0.000 2.120 215 N HA -0.198 4.536 4.740 -0.009 0.000 0.188 215 N C 1.512 176.933 175.510 -0.149 0.000 1.024 215 N CA 1.337 54.321 53.050 -0.111 0.000 0.852 215 N CB 0.124 38.566 38.487 -0.075 0.000 1.003 215 N HN 0.434 nan 8.380 nan 0.000 0.424 216 E N 0.482 120.589 120.200 -0.155 0.000 2.208 216 E HA -0.051 4.293 4.350 -0.009 0.000 0.193 216 E C 2.121 178.451 176.600 -0.449 0.000 0.988 216 E CA 0.293 56.580 56.400 -0.189 0.000 0.828 216 E CB -0.037 29.625 29.700 -0.064 0.000 0.763 216 E HN 0.237 nan 8.360 nan 0.000 0.478 217 V N 2.143 121.747 119.914 -0.517 0.000 2.358 217 V HA -0.200 3.914 4.120 -0.009 0.000 0.246 217 V C 1.912 177.537 176.094 -0.781 0.000 1.047 217 V CA 1.436 63.161 62.300 -0.959 0.000 1.035 217 V CB -0.458 30.887 31.823 -0.797 0.000 0.658 217 V HN 0.187 nan 8.190 nan 0.000 0.452 218 N N 0.123 118.583 118.700 -0.400 0.000 2.309 218 N HA -0.137 4.598 4.740 -0.009 0.000 0.182 218 N C 1.859 177.277 175.510 -0.153 0.000 1.018 218 N CA 0.921 53.856 53.050 -0.192 0.000 0.876 218 N CB -0.251 38.167 38.487 -0.115 0.000 0.972 218 N HN 0.380 nan 8.380 nan 0.000 0.434 219 K N 1.382 121.651 120.400 -0.218 0.000 1.991 219 K HA 0.054 4.369 4.320 -0.009 0.000 0.207 219 K C 1.742 178.256 176.600 -0.143 0.000 1.045 219 K CA 1.162 57.360 56.287 -0.150 0.000 0.937 219 K CB -0.303 32.112 32.500 -0.142 0.000 0.720 219 K HN 0.035 nan 8.250 nan 0.000 0.438 220 A N 0.293 122.925 122.820 -0.313 0.000 1.902 220 A HA -0.143 4.172 4.320 -0.009 0.000 0.217 220 A C 1.796 179.436 177.584 0.094 0.000 1.181 220 A CA 1.313 53.226 52.037 -0.206 0.000 0.623 220 A CB -0.829 17.799 19.000 -0.620 0.000 0.818 220 A HN 0.489 nan 8.150 nan 0.000 0.443 221 W N -0.985 120.220 121.300 -0.157 0.000 2.905 221 W HA 0.349 5.004 4.660 -0.009 0.000 0.251 221 W C 1.562 178.066 176.519 -0.025 0.000 1.305 221 W CA 0.136 57.463 57.345 -0.029 0.000 1.465 221 W CB -1.094 28.374 29.460 0.013 0.000 1.122 221 W HN 0.599 nan 8.180 nan 0.000 0.659 222 G N 1.664 110.552 108.800 0.147 0.000 2.295 222 G HA2 -0.259 3.696 3.960 -0.009 0.000 0.287 222 G HA3 -0.259 3.696 3.960 -0.009 0.000 0.287 222 G C 0.340 175.288 174.900 0.081 0.000 1.055 222 G CA 0.757 45.904 45.100 0.079 0.000 0.922 222 G HN 0.257 nan 8.290 nan 0.000 0.503 223 T N -3.203 111.409 114.554 0.097 0.000 2.919 223 T HA 0.774 5.119 4.350 -0.009 0.000 0.282 223 T C 0.178 174.896 174.700 0.030 0.000 1.020 223 T CA -0.774 61.375 62.100 0.081 0.000 0.994 223 T CB 2.158 71.125 68.868 0.164 0.000 1.180 223 T HN 0.153 nan 8.240 nan 0.000 0.566 224 K N 0.806 121.218 120.400 0.021 0.000 3.206 224 K HA 0.364 4.679 4.320 -0.009 0.000 0.180 224 K C -0.726 175.874 176.600 0.000 0.000 1.088 224 K CA -0.267 56.021 56.287 0.001 0.000 0.872 224 K CB 0.229 32.728 32.500 -0.002 0.000 0.976 224 K HN 0.446 nan 8.250 nan 0.000 0.564 225 L N 2.770 123.995 121.223 0.003 0.000 2.418 225 L HA 0.182 4.516 4.340 -0.009 0.000 0.274 225 L C 1.633 178.494 176.870 -0.015 0.000 1.135 225 L CA -0.071 54.771 54.840 0.003 0.000 0.870 225 L CB 0.297 42.366 42.059 0.016 0.000 1.154 225 L HN 0.468 nan 8.230 nan 0.000 0.462 226 I N -0.671 119.893 120.570 -0.010 0.000 3.030 226 I HA 0.102 4.267 4.170 -0.009 0.000 0.270 226 I C 0.939 177.047 176.117 -0.015 0.000 1.211 226 I CA 0.310 61.601 61.300 -0.014 0.000 1.479 226 I CB 0.345 38.339 38.000 -0.009 0.000 1.105 226 I HN 0.519 nan 8.210 nan 0.000 0.447 227 S N 0.247 115.940 115.700 -0.011 0.000 2.569 227 S HA 0.343 4.808 4.470 -0.009 0.000 0.280 227 S C 0.237 174.829 174.600 -0.013 0.000 1.111 227 S CA -0.528 57.666 58.200 -0.011 0.000 0.887 227 S CB 2.024 65.222 63.200 -0.003 0.000 1.095 227 S HN 0.219 nan 8.310 nan 0.000 0.476 228 E N 1.692 121.880 120.200 -0.020 0.000 2.204 228 E HA 0.004 4.348 4.350 -0.009 0.000 0.194 228 E C 1.194 177.791 176.600 -0.005 0.000 0.989 228 E CA 0.844 57.228 56.400 -0.026 0.000 0.824 228 E CB -0.142 29.537 29.700 -0.036 0.000 0.756 228 E HN 0.496 nan 8.360 nan 0.000 0.477 229 L N -0.157 121.069 121.223 0.004 0.000 2.549 229 L HA -0.037 4.297 4.340 -0.009 0.000 0.229 229 L C 1.831 178.719 176.870 0.030 0.000 1.158 229 L CA 1.041 55.892 54.840 0.017 0.000 0.842 229 L CB -0.473 41.595 42.059 0.016 0.000 0.952 229 L HN 0.092 nan 8.230 nan 0.000 0.452 230 A N -1.208 121.630 122.820 0.031 0.000 2.178 230 A HA 0.198 4.512 4.320 -0.009 0.000 0.211 230 A C 1.189 178.826 177.584 0.087 0.000 1.157 230 A CA -0.114 51.948 52.037 0.043 0.000 0.780 230 A CB -0.357 18.661 19.000 0.030 0.000 0.828 230 A HN 0.227 nan 8.150 nan 0.000 0.476 231 I N 1.815 122.450 120.570 0.108 0.000 2.389 231 I HA 0.250 4.414 4.170 -0.009 0.000 0.295 231 I C -0.710 175.546 176.117 0.233 0.000 1.117 231 I CA 0.421 61.852 61.300 0.217 0.000 1.317 231 I CB -0.000 38.062 38.000 0.104 0.000 1.431 231 I HN 0.182 nan 8.210 nan 0.000 0.521 232 L N 7.969 129.363 121.223 0.284 0.000 2.409 232 L HA 0.618 4.953 4.340 -0.009 0.000 0.255 232 L C -2.386 174.544 176.870 0.101 0.000 1.027 232 L CA -1.904 53.051 54.840 0.191 0.000 0.834 232 L CB 2.263 44.357 42.059 0.058 0.000 1.426 232 L HN 0.280 nan 8.230 nan 0.000 0.411 233 P HA 0.180 nan 4.420 nan 0.000 0.274 233 P C -2.707 174.263 177.300 -0.550 0.000 1.256 233 P CA -1.405 61.200 63.100 -0.824 0.000 0.795 233 P CB -0.547 30.582 31.700 -0.953 0.000 1.038 234 P HA 0.018 nan 4.420 nan 0.000 0.263 234 P C 0.592 177.820 177.300 -0.119 0.000 1.195 234 P CA 0.441 63.278 63.100 -0.437 0.000 0.762 234 P CB 0.246 31.491 31.700 -0.758 0.000 0.799 235 S N 1.171 116.832 115.700 -0.065 0.000 2.406 235 S HA -0.089 4.375 4.470 -0.009 0.000 0.228 235 S C 0.759 175.346 174.600 -0.022 0.000 1.020 235 S CA 1.158 59.348 58.200 -0.017 0.000 0.965 235 S CB -0.240 62.945 63.200 -0.025 0.000 0.798 235 S HN 0.606 nan 8.310 nan 0.000 0.488 236 D N -0.176 120.226 120.400 0.003 0.000 2.469 236 D HA 0.457 5.092 4.640 -0.009 0.000 0.251 236 D C 0.909 177.277 176.300 0.113 0.000 1.173 236 D CA -0.320 53.703 54.000 0.039 0.000 0.882 236 D CB 0.990 41.815 40.800 0.041 0.000 1.129 236 D HN 0.053 nan 8.370 nan 0.000 0.549 237 G N 2.956 111.840 108.800 0.139 0.000 2.440 237 G HA2 -0.283 3.672 3.960 -0.009 0.000 0.218 237 G HA3 -0.283 3.672 3.960 -0.009 0.000 0.218 237 G C 1.145 176.222 174.900 0.296 0.000 1.154 237 G CA 0.834 46.111 45.100 0.294 0.000 0.767 237 G HN 0.580 nan 8.290 nan 0.000 0.552 238 E N -0.342 119.962 120.200 0.173 0.000 2.058 238 E HA -0.218 4.127 4.350 -0.009 0.000 0.194 238 E C 2.428 179.117 176.600 0.148 0.000 0.997 238 E CA 1.237 57.718 56.400 0.135 0.000 0.801 238 E CB -0.205 29.545 29.700 0.084 0.000 0.746 238 E HN 0.445 nan 8.360 nan 0.000 0.450 239 Q N 0.062 119.945 119.800 0.139 0.000 2.084 239 Q HA -0.200 4.134 4.340 -0.009 0.000 0.202 239 Q C 2.056 178.155 176.000 0.165 0.000 0.978 239 Q CA 1.494 57.368 55.803 0.118 0.000 0.844 239 Q CB -0.403 28.387 28.738 0.086 0.000 0.898 239 Q HN 0.397 nan 8.270 nan 0.000 0.426 240 F N 0.874 120.878 119.950 0.091 0.000 2.134 240 F HA -0.150 4.371 4.527 -0.009 0.000 0.299 240 F C 1.988 177.933 175.800 0.242 0.000 1.097 240 F CA 1.181 59.255 58.000 0.123 0.000 1.264 240 F CB -0.126 38.906 39.000 0.053 0.000 1.001 240 F HN 0.049 nan 8.300 nan 0.000 0.479 241 L N -0.648 120.770 121.223 0.326 0.000 2.291 241 L HA -0.166 4.169 4.340 -0.009 0.000 0.214 241 L C 2.322 179.270 176.870 0.131 0.000 1.120 241 L CA 0.664 55.615 54.840 0.184 0.000 0.799 241 L CB -0.446 41.715 42.059 0.169 0.000 0.925 241 L HN 0.258 nan 8.230 nan 0.000 0.446 242 M N 0.055 119.745 119.600 0.151 0.000 2.160 242 M HA -0.085 4.390 4.480 -0.009 0.000 0.264 242 M C 1.495 177.905 176.300 0.185 0.000 1.073 242 M CA 1.649 57.029 55.300 0.134 0.000 1.142 242 M CB -0.079 32.567 32.600 0.077 0.000 1.358 242 M HN 0.416 nan 8.290 nan 0.000 0.422 243 N N -1.662 117.084 118.700 0.076 0.000 1.941 243 N HA 0.036 4.771 4.740 -0.009 0.000 0.229 243 N C 1.227 176.559 175.510 -0.297 0.000 1.397 243 N CA 0.714 53.690 53.050 -0.124 0.000 0.824 243 N CB -0.633 37.797 38.487 -0.095 0.000 1.083 243 N HN 0.187 nan 8.380 nan 0.000 0.488 244 G N 1.169 109.830 108.800 -0.231 0.000 2.432 244 G HA2 -0.251 3.704 3.960 -0.009 0.000 0.219 244 G HA3 -0.251 3.704 3.960 -0.009 0.000 0.219 244 G C 1.248 175.749 174.900 -0.664 0.000 1.135 244 G CA 1.202 46.102 45.100 -0.334 0.000 0.767 244 G HN 0.540 nan 8.290 nan 0.000 0.550 245 Y N 0.051 119.754 120.300 -0.995 0.000 2.483 245 Y HA 0.201 4.745 4.550 -0.009 0.000 0.291 245 Y C 2.067 177.790 175.900 -0.295 0.000 1.143 245 Y CA 0.365 57.981 58.100 -0.806 0.000 1.289 245 Y CB -0.343 37.783 38.460 -0.556 0.000 0.983 245 Y HN 0.106 nan 8.280 nan 0.000 0.556 246 L N 0.772 121.447 121.223 -0.914 0.000 2.395 246 L HA -0.003 4.332 4.340 -0.009 0.000 0.218 246 L C 1.473 178.186 176.870 -0.262 0.000 1.130 246 L CA 0.356 54.832 54.840 -0.606 0.000 0.826 246 L CB -0.486 41.196 42.059 -0.628 0.000 0.941 246 L HN 0.339 nan 8.230 nan 0.000 0.451 247 S N -1.028 114.549 115.700 -0.205 0.000 2.624 247 S HA 0.065 4.529 4.470 -0.009 0.000 0.263 247 S C 0.894 175.491 174.600 -0.005 0.000 1.287 247 S CA -0.589 57.567 58.200 -0.073 0.000 0.990 247 S CB 1.146 64.322 63.200 -0.041 0.000 0.950 247 S HN 0.069 nan 8.310 nan 0.000 0.561 248 M N 0.828 120.462 119.600 0.058 0.000 2.159 248 M HA -0.016 4.459 4.480 -0.009 0.000 0.263 248 M C 1.714 178.055 176.300 0.069 0.000 1.063 248 M CA 1.573 56.966 55.300 0.154 0.000 1.110 248 M CB -1.227 31.548 32.600 0.291 0.000 1.374 248 M HN 0.883 nan 8.290 nan 0.000 0.411 249 Y N -0.146 119.916 120.300 -0.397 0.000 2.128 249 Y HA -0.065 4.480 4.550 -0.009 0.000 0.284 249 Y C 2.043 177.841 175.900 -0.169 0.000 1.154 249 Y CA 2.102 59.669 58.100 -0.888 0.000 1.149 249 Y CB -1.080 36.740 38.460 -1.068 0.000 0.976 249 Y HN 0.237 nan 8.280 nan 0.000 0.505 250 G N 0.410 109.153 108.800 -0.096 0.000 2.440 250 G HA2 -0.276 3.678 3.960 -0.009 0.000 0.218 250 G HA3 -0.276 3.678 3.960 -0.009 0.000 0.218 250 G C 1.669 176.645 174.900 0.128 0.000 1.154 250 G CA 1.109 46.260 45.100 0.084 0.000 0.767 250 G HN 0.429 nan 8.290 nan 0.000 0.552 251 K N 0.235 120.693 120.400 0.096 0.000 2.057 251 K HA -0.071 4.244 4.320 -0.009 0.000 0.207 251 K C 2.136 178.870 176.600 0.224 0.000 1.049 251 K CA 1.343 57.727 56.287 0.162 0.000 0.931 251 K CB -0.111 32.487 32.500 0.164 0.000 0.714 251 K HN 0.156 nan 8.250 nan 0.000 0.440 252 D N 0.004 120.577 120.400 0.288 0.000 2.117 252 D HA -0.162 4.473 4.640 -0.009 0.000 0.198 252 D C 1.787 178.289 176.300 0.338 0.000 0.982 252 D CA 1.003 55.311 54.000 0.514 0.000 0.828 252 D CB -0.297 41.017 40.800 0.856 0.000 0.967 252 D HN 0.162 nan 8.370 nan 0.000 0.464 253 Y N 1.532 121.800 120.300 -0.053 0.000 2.145 253 Y HA -0.123 4.422 4.550 -0.009 0.000 0.286 253 Y C 2.180 177.988 175.900 -0.154 0.000 1.145 253 Y CA 1.262 59.137 58.100 -0.376 0.000 1.148 253 Y CB -0.486 37.371 38.460 -1.005 0.000 0.981 253 Y HN -0.104 nan 8.280 nan 0.000 0.507 254 L N 0.146 121.306 121.223 -0.105 0.000 2.191 254 L HA -0.186 4.148 4.340 -0.009 0.000 0.212 254 L C 2.540 179.416 176.870 0.010 0.000 1.103 254 L CA 1.715 56.537 54.840 -0.031 0.000 0.769 254 L CB -0.487 41.682 42.059 0.184 0.000 0.908 254 L HN 0.358 nan 8.230 nan 0.000 0.438 255 E N -0.313 119.916 120.200 0.048 0.000 2.046 255 E HA -0.263 4.082 4.350 -0.009 0.000 0.190 255 E C 2.084 178.637 176.600 -0.079 0.000 0.982 255 E CA 1.273 57.727 56.400 0.090 0.000 0.800 255 E CB -0.192 29.659 29.700 0.251 0.000 0.756 255 E HN 0.476 nan 8.360 nan 0.000 0.449 256 W N 0.396 121.345 121.300 -0.584 0.000 2.354 256 W HA -0.274 4.381 4.660 -0.008 0.000 0.315 256 W C 2.017 178.284 176.519 -0.419 0.000 1.206 256 W CA 1.908 58.745 57.345 -0.847 0.000 1.290 256 W CB -0.751 28.033 29.460 -1.128 0.000 1.152 256 W HN 0.175 nan 8.180 nan 0.000 0.489 257 Y N 1.396 121.329 120.300 -0.612 0.000 2.114 257 Y HA -0.353 4.191 4.550 -0.009 0.000 0.282 257 Y C 2.814 178.496 175.900 -0.363 0.000 1.165 257 Y CA 2.944 60.605 58.100 -0.732 0.000 1.148 257 Y CB -1.022 37.010 38.460 -0.713 0.000 0.972 257 Y HN 0.234 nan 8.280 nan 0.000 0.504 258 Q N -0.830 118.895 119.800 -0.125 0.000 2.187 258 Q HA -0.043 4.292 4.340 -0.009 0.000 0.199 258 Q C 2.391 178.305 176.000 -0.144 0.000 0.957 258 Q CA 1.030 56.789 55.803 -0.072 0.000 0.857 258 Q CB -0.449 28.320 28.738 0.052 0.000 0.929 258 Q HN 0.579 nan 8.270 nan 0.000 0.453 259 G N 1.621 110.306 108.800 -0.192 0.000 2.442 259 G HA2 -0.239 3.715 3.960 -0.009 0.000 0.219 259 G HA3 -0.239 3.715 3.960 -0.009 0.000 0.219 259 G C 1.349 176.108 174.900 -0.236 0.000 1.141 259 G CA 0.858 45.855 45.100 -0.171 0.000 0.763 259 G HN 0.328 nan 8.290 nan 0.000 0.554 260 I N 1.006 121.329 120.570 -0.411 0.000 2.194 260 I HA -0.139 4.025 4.170 -0.009 0.000 0.246 260 I C 2.829 178.799 176.117 -0.246 0.000 1.093 260 I CA 0.899 61.975 61.300 -0.373 0.000 1.355 260 I CB -1.222 36.470 38.000 -0.512 0.000 1.046 260 I HN 0.187 nan 8.210 nan 0.000 0.413 261 L N 0.093 121.160 121.223 -0.260 0.000 2.093 261 L HA -0.174 4.160 4.340 -0.009 0.000 0.208 261 L C 2.467 179.301 176.870 -0.061 0.000 1.085 261 L CA 1.199 55.937 54.840 -0.170 0.000 0.755 261 L CB -0.554 41.411 42.059 -0.158 0.000 0.904 261 L HN 0.283 nan 8.230 nan 0.000 0.435 262 E N 0.028 120.180 120.200 -0.079 0.000 2.106 262 E HA -0.160 4.185 4.350 -0.009 0.000 0.192 262 E C 1.870 178.426 176.600 -0.073 0.000 0.984 262 E CA 0.894 57.249 56.400 -0.076 0.000 0.806 262 E CB -0.028 29.600 29.700 -0.119 0.000 0.750 262 E HN 0.456 nan 8.360 nan 0.000 0.458 263 N N 0.273 118.936 118.700 -0.061 0.000 2.216 263 N HA -0.149 4.585 4.740 -0.009 0.000 0.183 263 N C 1.689 177.184 175.510 -0.026 0.000 1.017 263 N CA 0.986 54.014 53.050 -0.036 0.000 0.861 263 N CB -0.345 38.127 38.487 -0.024 0.000 0.986 263 N HN 0.245 nan 8.380 nan 0.000 0.428 264 H N 0.761 119.754 119.070 -0.128 0.000 2.353 264 H HA 0.019 4.570 4.556 -0.009 0.000 0.300 264 H C 1.557 176.814 175.328 -0.119 0.000 1.090 264 H CA 1.973 57.944 56.048 -0.128 0.000 1.327 264 H CB -0.290 29.383 29.762 -0.147 0.000 1.383 264 H HN 0.047 nan 8.280 nan 0.000 0.508 265 T N 0.567 115.022 114.554 -0.165 0.000 2.720 265 T HA -0.125 4.219 4.350 -0.009 0.000 0.268 265 T C 1.834 176.389 174.700 -0.241 0.000 1.037 265 T CA 1.678 63.602 62.100 -0.294 0.000 1.144 265 T CB -0.059 68.570 68.868 -0.398 0.000 0.864 265 T HN 0.398 nan 8.240 nan 0.000 0.444 266 K N 0.318 120.624 120.400 -0.155 0.000 2.155 266 K HA 0.075 4.390 4.320 -0.009 0.000 0.203 266 K C 2.145 178.699 176.600 -0.077 0.000 1.052 266 K CA 0.602 56.834 56.287 -0.092 0.000 0.948 266 K CB -0.224 32.244 32.500 -0.053 0.000 0.728 266 K HN 0.150 nan 8.250 nan 0.000 0.448 267 L N 1.844 122.999 121.223 -0.113 0.000 2.044 267 L HA -0.072 4.263 4.340 -0.009 0.000 0.205 267 L C 2.024 178.835 176.870 -0.099 0.000 1.075 267 L CA 1.315 56.093 54.840 -0.103 0.000 0.747 267 L CB -0.305 41.679 42.059 -0.125 0.000 0.903 267 L HN 0.190 nan 8.230 nan 0.000 0.435 268 I N -3.199 117.266 120.570 -0.176 0.000 2.394 268 I HA 0.011 4.176 4.170 -0.009 0.000 0.251 268 I C 2.238 178.373 176.117 0.029 0.000 1.136 268 I CA 1.276 62.561 61.300 -0.026 0.000 1.425 268 I CB -1.479 36.486 38.000 -0.058 0.000 1.079 268 I HN 0.212 nan 8.210 nan 0.000 0.425 269 G N 1.076 109.844 108.800 -0.053 0.000 2.418 269 G HA2 -0.269 3.685 3.960 -0.009 0.000 0.217 269 G HA3 -0.269 3.685 3.960 -0.009 0.000 0.217 269 G C 1.586 176.534 174.900 0.079 0.000 1.158 269 G CA 0.946 46.030 45.100 -0.026 0.000 0.771 269 G HN 0.602 nan 8.290 nan 0.000 0.545 270 E N 0.092 120.340 120.200 0.080 0.000 2.031 270 E HA -0.078 4.266 4.350 -0.009 0.000 0.193 270 E C 2.575 179.230 176.600 0.090 0.000 0.994 270 E CA 0.629 57.088 56.400 0.099 0.000 0.800 270 E CB -0.219 29.507 29.700 0.045 0.000 0.752 270 E HN 0.434 nan 8.360 nan 0.000 0.447 271 L N 0.498 121.772 121.223 0.086 0.000 2.012 271 L HA -0.222 4.113 4.340 -0.009 0.000 0.210 271 L C 2.734 179.697 176.870 0.154 0.000 1.073 271 L CA 1.308 56.225 54.840 0.128 0.000 0.748 271 L CB -0.580 41.571 42.059 0.154 0.000 0.891 271 L HN 0.236 nan 8.230 nan 0.000 0.431 272 A N -1.005 121.879 122.820 0.108 0.000 1.873 272 A HA -0.216 4.099 4.320 -0.009 0.000 0.215 272 A C 2.152 179.678 177.584 -0.097 0.000 1.186 272 A CA 1.337 53.298 52.037 -0.127 0.000 0.616 272 A CB -0.789 18.078 19.000 -0.221 0.000 0.823 272 A HN 0.401 nan 8.150 nan 0.000 0.442 273 H N 0.281 119.377 119.070 0.042 0.000 2.352 273 H HA -0.104 4.446 4.556 -0.010 0.000 0.299 273 H C 1.959 177.294 175.328 0.011 0.000 1.097 273 H CA 1.783 57.861 56.048 0.050 0.000 1.311 273 H CB -0.283 29.500 29.762 0.034 0.000 1.377 273 H HN 0.439 nan 8.280 nan 0.000 0.504 274 N N 0.559 119.316 118.700 0.094 0.000 2.120 274 N HA -0.099 4.636 4.740 -0.009 0.000 0.188 274 N C 2.002 177.478 175.510 -0.057 0.000 1.024 274 N CA 1.305 54.369 53.050 0.024 0.000 0.852 274 N CB -0.330 38.165 38.487 0.014 0.000 1.003 274 N HN 0.349 nan 8.380 nan 0.000 0.424 275 A N -0.845 121.854 122.820 -0.202 0.000 1.975 275 A HA 0.128 4.443 4.320 -0.009 0.000 0.215 275 A C 1.522 178.860 177.584 -0.411 0.000 1.170 275 A CA 0.682 52.465 52.037 -0.423 0.000 0.656 275 A CB -0.345 18.206 19.000 -0.748 0.000 0.821 275 A HN 0.279 nan 8.150 nan 0.000 0.449 276 F N -0.959 119.065 119.950 0.123 0.000 2.712 276 F HA 0.103 4.624 4.527 -0.009 0.000 0.297 276 F C 1.649 177.574 175.800 0.210 0.000 1.114 276 F CA -0.176 57.969 58.000 0.242 0.000 1.305 276 F CB 0.173 39.260 39.000 0.145 0.000 1.086 276 F HN 0.034 nan 8.300 nan 0.000 0.599 277 D N 0.818 121.389 120.400 0.285 0.000 2.103 277 D HA -0.197 4.438 4.640 -0.009 0.000 0.190 277 D C 2.461 178.836 176.300 0.126 0.000 0.997 277 D CA 2.596 56.723 54.000 0.211 0.000 0.833 277 D CB -0.887 40.018 40.800 0.175 0.000 0.961 277 D HN 0.264 nan 8.370 nan 0.000 0.447 278 T N -1.845 112.749 114.554 0.067 0.000 2.708 278 T HA -0.135 4.209 4.350 -0.009 0.000 0.266 278 T C 2.041 176.712 174.700 -0.048 0.000 1.037 278 T CA 2.130 64.234 62.100 0.006 0.000 1.146 278 T CB -0.906 67.953 68.868 -0.015 0.000 0.865 278 T HN 0.026 nan 8.240 nan 0.000 0.435 279 T N 1.127 115.622 114.554 -0.098 0.000 2.701 279 T HA 0.120 4.464 4.350 -0.009 0.000 0.263 279 T C 1.509 175.930 174.700 -0.465 0.000 1.040 279 T CA 1.385 63.274 62.100 -0.352 0.000 1.147 279 T CB -0.472 68.051 68.868 -0.576 0.000 0.865 279 T HN 0.471 nan 8.240 nan 0.000 0.426 280 F N 0.617 120.612 119.950 0.075 0.000 2.383 280 F HA 0.242 4.763 4.527 -0.011 0.000 0.287 280 F C 1.200 177.022 175.800 0.036 0.000 1.069 280 F CA -0.325 57.703 58.000 0.047 0.000 1.402 280 F CB -0.392 38.631 39.000 0.038 0.000 1.116 280 F HN -0.022 nan 8.300 nan 0.000 0.549 281 Q N 0.522 120.454 119.800 0.221 0.000 2.468 281 Q HA -0.147 4.187 4.340 -0.009 0.000 0.289 281 Q C -0.764 175.310 176.000 0.124 0.000 1.299 281 Q CA 0.403 56.291 55.803 0.141 0.000 0.838 281 Q CB -1.940 26.848 28.738 0.082 0.000 1.195 281 Q HN 0.352 nan 8.270 nan 0.000 0.456 282 V N -3.774 116.216 119.914 0.127 0.000 3.019 282 V HA 0.869 4.984 4.120 -0.009 0.000 0.317 282 V C -2.064 174.035 176.094 0.009 0.000 1.094 282 V CA -2.278 60.050 62.300 0.047 0.000 1.000 282 V CB 1.578 33.395 31.823 -0.009 0.000 1.060 282 V HN 0.026 nan 8.190 nan 0.000 0.443 283 P HA 0.418 nan 4.420 nan 0.000 0.271 283 P C -0.833 176.380 177.300 -0.145 0.000 1.218 283 P CA 0.090 63.165 63.100 -0.042 0.000 0.780 283 P CB 0.857 32.528 31.700 -0.048 0.000 0.901 284 I N 1.073 121.570 120.570 -0.121 0.000 2.474 284 I HA 0.595 4.759 4.170 -0.009 0.000 0.294 284 I C 0.768 176.792 176.117 -0.155 0.000 1.005 284 I CA -0.449 60.718 61.300 -0.222 0.000 1.113 284 I CB 2.220 40.044 38.000 -0.293 0.000 1.289 284 I HN 0.424 nan 8.210 nan 0.000 0.436 285 G N 3.491 112.178 108.800 -0.190 0.000 2.730 285 G HA2 0.894 4.849 3.960 -0.009 0.000 0.289 285 G HA3 0.894 4.849 3.960 -0.009 0.000 0.289 285 G C -1.759 173.284 174.900 0.238 0.000 1.341 285 G CA -0.631 44.486 45.100 0.028 0.000 0.932 285 G HN 0.804 nan 8.290 nan 0.000 0.481 286 A N -0.303 122.737 122.820 0.368 0.000 2.594 286 A HA 0.866 5.180 4.320 -0.009 0.000 0.291 286 A C -0.881 176.920 177.584 0.361 0.000 1.105 286 A CA -0.783 51.453 52.037 0.330 0.000 0.694 286 A CB 1.705 20.837 19.000 0.220 0.000 1.291 286 A HN 0.590 nan 8.150 nan 0.000 0.410 287 K N 0.344 120.879 120.400 0.224 0.000 2.259 287 K HA 0.736 5.050 4.320 -0.009 0.000 0.249 287 K C -1.398 175.315 176.600 0.189 0.000 0.942 287 K CA -0.348 56.023 56.287 0.139 0.000 0.816 287 K CB 2.268 34.752 32.500 -0.027 0.000 1.155 287 K HN 0.545 nan 8.250 nan 0.000 0.428 288 I N 1.900 122.538 120.570 0.114 0.000 2.465 288 I HA 0.296 4.461 4.170 -0.009 0.000 0.291 288 I C -0.156 175.958 176.117 -0.003 0.000 1.014 288 I CA -0.857 60.514 61.300 0.118 0.000 1.093 288 I CB 1.947 39.950 38.000 0.004 0.000 1.267 288 I HN 0.702 nan 8.210 nan 0.000 0.431 289 A N 4.110 127.030 122.820 0.167 0.000 2.351 289 A HA 0.581 4.895 4.320 -0.009 0.000 0.257 289 A C 0.600 178.151 177.584 -0.055 0.000 1.087 289 A CA -0.276 51.806 52.037 0.076 0.000 0.798 289 A CB 0.393 19.564 19.000 0.285 0.000 1.033 289 A HN 0.893 nan 8.150 nan 0.000 0.488 290 G N 0.814 109.465 108.800 -0.248 0.000 2.807 290 G HA2 0.454 4.409 3.960 -0.009 0.000 0.316 290 G HA3 0.454 4.409 3.960 -0.009 0.000 0.316 290 G C -0.325 174.661 174.900 0.143 0.000 0.900 290 G CA -0.209 44.814 45.100 -0.129 0.000 1.499 290 G HN 0.635 nan 8.290 nan 0.000 0.484 291 V N 3.903 123.881 119.914 0.108 0.000 2.223 291 V HA 0.064 4.178 4.120 -0.009 0.000 0.249 291 V C 1.203 177.179 176.094 -0.198 0.000 1.233 291 V CA -0.279 61.795 62.300 -0.376 0.000 1.131 291 V CB -0.944 30.656 31.823 -0.372 0.000 1.298 291 V HN 0.938 nan 8.190 nan 0.000 0.498 292 H N 0.981 120.113 119.070 0.103 0.000 2.551 292 H HA 0.085 4.635 4.556 -0.009 0.000 0.266 292 H C 0.558 176.111 175.328 0.376 0.000 0.964 292 H CA -0.562 55.650 56.048 0.272 0.000 1.180 292 H CB -0.178 29.746 29.762 0.269 0.000 1.408 292 H HN 0.649 nan 8.280 nan 0.000 0.563 293 W N 0.557 121.902 121.300 0.074 0.000 2.313 293 W HA 0.454 5.109 4.660 -0.009 0.000 0.328 293 W C -0.089 176.519 176.519 0.148 0.000 1.197 293 W CA -1.113 56.334 57.345 0.169 0.000 1.235 293 W CB 1.011 30.510 29.460 0.066 0.000 1.158 293 W HN -0.035 nan 8.180 nan 0.000 0.578 294 Q N 0.553 120.552 119.800 0.331 0.000 2.489 294 Q HA -0.346 3.988 4.340 -0.009 0.000 0.259 294 Q C 0.510 176.546 176.000 0.060 0.000 0.934 294 Q CA 1.653 57.555 55.803 0.164 0.000 1.131 294 Q CB -2.825 25.944 28.738 0.052 0.000 1.472 294 Q HN 0.956 nan 8.270 nan 0.000 0.560 295 Y N 2.207 122.532 120.300 0.043 0.000 2.133 295 Y HA -0.153 4.392 4.550 -0.009 0.000 0.287 295 Y C 1.677 177.412 175.900 -0.275 0.000 1.134 295 Y CA 2.256 60.337 58.100 -0.032 0.000 1.133 295 Y CB 0.163 38.714 38.460 0.152 0.000 0.987 295 Y HN 0.435 nan 8.280 nan 0.000 0.502 296 N N 0.171 118.977 118.700 0.176 0.000 2.380 296 N HA -0.018 4.716 4.740 -0.009 0.000 0.255 296 N C -0.973 174.387 175.510 -0.250 0.000 1.158 296 N CA -0.104 52.957 53.050 0.018 0.000 0.878 296 N CB -0.883 37.752 38.487 0.246 0.000 1.138 296 N HN 0.245 nan 8.380 nan 0.000 0.509 297 N N 2.562 120.967 118.700 -0.492 0.000 2.468 297 N HA 0.064 4.798 4.740 -0.009 0.000 0.265 297 N C -1.304 173.912 175.510 -0.489 0.000 1.199 297 N CA -1.080 51.414 53.050 -0.926 0.000 0.928 297 N CB 1.522 39.647 38.487 -0.602 0.000 1.059 297 N HN 0.093 nan 8.380 nan 0.000 0.467 298 P HA -0.114 nan 4.420 nan 0.000 0.217 298 P C 0.973 178.208 177.300 -0.108 0.000 1.150 298 P CA 1.660 64.658 63.100 -0.170 0.000 0.832 298 P CB 0.112 31.758 31.700 -0.090 0.000 0.787 299 T N -1.475 113.015 114.554 -0.107 0.000 2.976 299 T HA 0.081 4.426 4.350 -0.009 0.000 0.257 299 T C 1.433 176.110 174.700 -0.037 0.000 1.051 299 T CA 0.275 62.350 62.100 -0.041 0.000 1.141 299 T CB -0.764 68.097 68.868 -0.011 0.000 0.881 299 T HN 0.237 nan 8.240 nan 0.000 0.461 300 I N 0.323 120.838 120.570 -0.092 0.000 2.778 300 I HA 0.470 4.635 4.170 -0.009 0.000 0.285 300 I C -2.998 173.007 176.117 -0.187 0.000 1.236 300 I CA -2.976 58.268 61.300 -0.094 0.000 1.089 300 I CB 1.170 39.143 38.000 -0.045 0.000 1.601 300 I HN -0.186 nan 8.210 nan 0.000 0.573 301 P HA -0.055 nan 4.420 nan 0.000 0.264 301 P C -0.202 176.886 177.300 -0.352 0.000 1.193 301 P CA 0.797 63.678 63.100 -0.366 0.000 0.763 301 P CB 0.128 31.666 31.700 -0.269 0.000 0.810 302 H N 1.401 120.335 119.070 -0.228 0.000 2.770 302 H HA -0.145 4.406 4.556 -0.009 0.000 0.309 302 H C 1.524 176.744 175.328 -0.181 0.000 1.206 302 H CA 0.916 56.836 56.048 -0.214 0.000 1.147 302 H CB -2.223 27.392 29.762 -0.244 0.000 1.422 302 H HN 0.730 nan 8.280 nan 0.000 0.420 303 G N -0.367 108.365 108.800 -0.114 0.000 2.509 303 G HA2 0.051 4.006 3.960 -0.009 0.000 0.218 303 G HA3 0.051 4.006 3.960 -0.009 0.000 0.218 303 G C 1.508 176.330 174.900 -0.130 0.000 1.124 303 G CA 0.882 45.923 45.100 -0.098 0.000 0.776 303 G HN 0.605 nan 8.290 nan 0.000 0.547 304 A N 0.178 122.877 122.820 -0.202 0.000 2.035 304 A HA 0.342 4.657 4.320 -0.009 0.000 0.208 304 A C 1.968 179.369 177.584 -0.306 0.000 1.206 304 A CA 1.023 52.854 52.037 -0.343 0.000 0.773 304 A CB 0.120 18.598 19.000 -0.870 0.000 0.878 304 A HN 0.313 nan 8.150 nan 0.000 0.469 305 E N 0.663 120.747 120.200 -0.193 0.000 2.028 305 E HA -0.164 4.181 4.350 -0.009 0.000 0.191 305 E C 1.867 178.436 176.600 -0.052 0.000 0.988 305 E CA 1.441 57.815 56.400 -0.044 0.000 0.799 305 E CB -0.143 29.631 29.700 0.123 0.000 0.755 305 E HN 0.505 nan 8.360 nan 0.000 0.447 306 K N 0.032 120.409 120.400 -0.037 0.000 2.074 306 K HA -0.155 4.159 4.320 -0.009 0.000 0.209 306 K C -0.755 175.833 176.600 -0.019 0.000 1.048 306 K CA 1.561 57.866 56.287 0.030 0.000 0.926 306 K CB -0.921 31.640 32.500 0.103 0.000 0.713 306 K HN 0.115 nan 8.250 nan 0.000 0.444 307 P HA -0.093 nan 4.420 nan 0.000 0.221 307 P C 0.743 178.003 177.300 -0.068 0.000 1.150 307 P CA 1.222 63.951 63.100 -0.617 0.000 0.800 307 P CB 0.095 31.364 31.700 -0.719 0.000 0.787 308 A N -0.846 121.914 122.820 -0.101 0.000 2.168 308 A HA 0.331 4.645 4.320 -0.009 0.000 0.215 308 A C 1.714 179.172 177.584 -0.211 0.000 1.152 308 A CA 1.177 53.122 52.037 -0.154 0.000 0.716 308 A CB -1.288 17.543 19.000 -0.283 0.000 0.794 308 A HN 0.262 nan 8.150 nan 0.000 0.465 309 G N -2.835 105.955 108.800 -0.016 0.000 2.163 309 G HA2 -0.202 3.753 3.960 -0.009 0.000 0.213 309 G HA3 -0.202 3.753 3.960 -0.009 0.000 0.213 309 G C -0.259 174.690 174.900 0.082 0.000 0.991 309 G CA 0.088 45.223 45.100 0.060 0.000 0.653 309 G HN 0.369 nan 8.290 nan 0.000 0.518 310 Y N 1.530 121.822 120.300 -0.013 0.000 2.880 310 Y HA 0.445 4.990 4.550 -0.008 0.000 0.329 310 Y C 1.072 176.771 175.900 -0.334 0.000 1.156 310 Y CA -1.527 56.416 58.100 -0.262 0.000 1.348 310 Y CB 0.086 38.360 38.460 -0.309 0.000 1.280 310 Y HN 0.311 nan 8.280 nan 0.000 0.516 311 N N 0.846 119.505 118.700 -0.067 0.000 2.454 311 N HA -0.077 4.658 4.740 -0.009 0.000 0.177 311 N C -0.736 174.695 175.510 -0.133 0.000 1.049 311 N CA 0.475 53.486 53.050 -0.066 0.000 0.887 311 N CB 0.625 39.155 38.487 0.072 0.000 1.095 311 N HN 0.409 nan 8.380 nan 0.000 0.446 312 D N -0.403 119.919 120.400 -0.130 0.000 2.336 312 D HA 0.114 4.748 4.640 -0.009 0.000 0.248 312 D C -0.043 176.235 176.300 -0.037 0.000 1.326 312 D CA -0.544 53.427 54.000 -0.048 0.000 0.973 312 D CB 0.094 40.939 40.800 0.075 0.000 1.255 312 D HN 0.027 nan 8.370 nan 0.000 0.558 313 Y N 1.460 121.783 120.300 0.038 0.000 2.274 313 Y HA -0.176 4.368 4.550 -0.009 0.000 0.290 313 Y C 2.574 178.489 175.900 0.024 0.000 1.145 313 Y CA 1.337 59.435 58.100 -0.004 0.000 1.203 313 Y CB 0.078 38.504 38.460 -0.057 0.000 0.984 313 Y HN 0.358 nan 8.280 nan 0.000 0.533 314 S N -0.920 114.899 115.700 0.197 0.000 2.356 314 S HA -0.263 4.202 4.470 -0.009 0.000 0.223 314 S C 1.992 176.710 174.600 0.197 0.000 1.032 314 S CA 1.424 59.719 58.200 0.158 0.000 1.005 314 S CB -0.546 62.732 63.200 0.129 0.000 0.867 314 S HN 0.630 nan 8.310 nan 0.000 0.449 315 H N -0.330 118.791 119.070 0.084 0.000 2.387 315 H HA -0.062 4.489 4.556 -0.009 0.000 0.299 315 H C 2.205 177.599 175.328 0.110 0.000 1.090 315 H CA 1.433 57.534 56.048 0.088 0.000 1.332 315 H CB -0.105 29.703 29.762 0.078 0.000 1.386 315 H HN 0.370 nan 8.280 nan 0.000 0.516 316 L N 1.063 122.366 121.223 0.132 0.000 2.017 316 L HA -0.162 4.172 4.340 -0.009 0.000 0.208 316 L C 2.227 179.222 176.870 0.209 0.000 1.073 316 L CA 1.371 56.286 54.840 0.126 0.000 0.745 316 L CB -0.684 41.456 42.059 0.135 0.000 0.894 316 L HN 0.277 nan 8.230 nan 0.000 0.432 317 L N -0.627 120.682 121.223 0.144 0.000 2.265 317 L HA -0.181 4.154 4.340 -0.009 0.000 0.215 317 L C 2.051 179.029 176.870 0.179 0.000 1.117 317 L CA 0.765 55.669 54.840 0.107 0.000 0.782 317 L CB -0.810 41.249 42.059 0.001 0.000 0.914 317 L HN 0.309 nan 8.230 nan 0.000 0.441 318 D N 0.442 120.930 120.400 0.147 0.000 2.144 318 D HA -0.157 4.477 4.640 -0.009 0.000 0.199 318 D C 2.240 178.612 176.300 0.119 0.000 0.984 318 D CA 1.439 55.514 54.000 0.125 0.000 0.834 318 D CB 0.086 40.962 40.800 0.126 0.000 0.955 318 D HN 0.327 nan 8.370 nan 0.000 0.465 319 A N 0.228 123.119 122.820 0.118 0.000 1.902 319 A HA -0.148 4.167 4.320 -0.009 0.000 0.217 319 A C 1.998 179.633 177.584 0.085 0.000 1.181 319 A CA 0.904 52.978 52.037 0.062 0.000 0.623 319 A CB -0.894 18.109 19.000 0.005 0.000 0.818 319 A HN 0.121 nan 8.150 nan 0.000 0.443 320 F N 0.101 120.066 119.950 0.025 0.000 2.186 320 F HA -0.094 4.427 4.527 -0.010 0.000 0.299 320 F C 2.247 178.074 175.800 0.045 0.000 1.090 320 F CA 1.778 59.803 58.000 0.042 0.000 1.307 320 F CB -0.244 38.784 39.000 0.048 0.000 1.019 320 F HN 0.154 nan 8.300 nan 0.000 0.489 321 K N 0.868 121.406 120.400 0.230 0.000 2.026 321 K HA -0.146 4.169 4.320 -0.009 0.000 0.208 321 K C 2.124 178.779 176.600 0.092 0.000 1.048 321 K CA 2.023 58.392 56.287 0.137 0.000 0.929 321 K CB -0.596 31.969 32.500 0.109 0.000 0.713 321 K HN 0.215 nan 8.250 nan 0.000 0.439 322 S N -0.376 115.369 115.700 0.075 0.000 2.428 322 S HA 0.042 4.506 4.470 -0.009 0.000 0.230 322 S C 2.077 176.698 174.600 0.034 0.000 1.014 322 S CA 0.626 58.852 58.200 0.044 0.000 0.957 322 S CB -0.214 63.007 63.200 0.036 0.000 0.784 322 S HN 0.343 nan 8.310 nan 0.000 0.499 323 A N 1.436 124.279 122.820 0.038 0.000 2.167 323 A HA 0.251 4.565 4.320 -0.009 0.000 0.214 323 A C 0.867 178.533 177.584 0.137 0.000 1.151 323 A CA 0.227 52.290 52.037 0.043 0.000 0.735 323 A CB -0.567 18.404 19.000 -0.049 0.000 0.802 323 A HN 0.475 nan 8.150 nan 0.000 0.467 324 K N -1.276 119.196 120.400 0.120 0.000 3.162 324 K HA -0.140 4.175 4.320 -0.009 0.000 0.268 324 K C -1.069 175.701 176.600 0.283 0.000 1.062 324 K CA 0.548 56.928 56.287 0.155 0.000 0.769 324 K CB -1.934 30.555 32.500 -0.018 0.000 1.274 324 K HN 0.504 nan 8.250 nan 0.000 0.478 325 L N 0.815 122.156 121.223 0.197 0.000 2.341 325 L HA 0.359 4.694 4.340 -0.009 0.000 0.278 325 L C 0.256 177.276 176.870 0.250 0.000 1.005 325 L CA -1.152 53.793 54.840 0.175 0.000 0.818 325 L CB 1.496 43.597 42.059 0.072 0.000 1.259 325 L HN 0.012 nan 8.230 nan 0.000 0.418 326 D N 1.512 122.019 120.400 0.178 0.000 2.372 326 D HA 0.241 4.875 4.640 -0.009 0.000 0.243 326 D C -0.426 176.024 176.300 0.249 0.000 1.121 326 D CA 0.067 54.162 54.000 0.159 0.000 0.898 326 D CB 2.246 43.092 40.800 0.076 0.000 1.202 326 D HN 0.077 nan 8.370 nan 0.000 0.428 327 V N 1.589 121.600 119.914 0.161 0.000 2.547 327 V HA 0.508 4.622 4.120 -0.009 0.000 0.299 327 V C -0.566 175.613 176.094 0.142 0.000 1.040 327 V CA -0.128 62.228 62.300 0.094 0.000 0.913 327 V CB 1.866 33.540 31.823 -0.249 0.000 0.992 327 V HN 0.544 nan 8.190 nan 0.000 0.449 328 T N 7.457 122.127 114.554 0.194 0.000 2.812 328 T HA 0.462 4.806 4.350 -0.009 0.000 0.282 328 T C -1.017 173.805 174.700 0.203 0.000 0.990 328 T CA -0.014 62.224 62.100 0.230 0.000 0.960 328 T CB 0.945 69.941 68.868 0.213 0.000 0.948 328 T HN 0.537 nan 8.240 nan 0.000 0.438 329 F N 3.601 123.632 119.950 0.135 0.000 2.415 329 F HA 0.424 4.946 4.527 -0.010 0.000 0.348 329 F C 1.173 177.060 175.800 0.146 0.000 1.119 329 F CA -0.820 57.248 58.000 0.114 0.000 1.069 329 F CB 1.354 40.431 39.000 0.127 0.000 1.124 329 F HN 0.539 nan 8.300 nan 0.000 0.472 330 T N 1.398 115.682 114.554 -0.449 0.000 3.256 330 T HA 0.224 4.568 4.350 -0.009 0.000 0.237 330 T C -0.013 174.587 174.700 -0.165 0.000 0.908 330 T CA -0.326 61.645 62.100 -0.215 0.000 0.966 330 T CB -0.639 68.135 68.868 -0.157 0.000 1.134 330 T HN 0.635 nan 8.240 nan 0.000 0.573 331 C N 1.732 121.030 119.300 -0.004 0.000 3.367 331 C HA 0.344 4.799 4.460 -0.009 0.000 0.314 331 C C 1.370 176.497 174.990 0.230 0.000 2.460 331 C CA -0.551 58.548 59.018 0.135 0.000 1.352 331 C CB -1.288 26.533 27.740 0.135 0.000 2.457 331 C HN 0.831 nan 8.230 nan 0.000 0.531 332 L N 1.047 122.395 121.223 0.207 0.000 2.376 332 L HA 0.021 4.356 4.340 -0.009 0.000 0.219 332 L C 2.595 179.452 176.870 -0.020 0.000 1.133 332 L CA 1.208 56.084 54.840 0.061 0.000 0.816 332 L CB -0.279 41.745 42.059 -0.059 0.000 0.933 332 L HN 0.617 nan 8.230 nan 0.000 0.449 333 E N 0.483 120.702 120.200 0.030 0.000 2.489 333 E HA 0.010 4.355 4.350 -0.009 0.000 0.193 333 E C 0.603 177.183 176.600 -0.034 0.000 1.057 333 E CA 0.053 56.450 56.400 -0.006 0.000 0.866 333 E CB 0.153 29.881 29.700 0.047 0.000 0.916 333 E HN 0.399 nan 8.360 nan 0.000 0.500 334 M N 0.947 120.518 119.600 -0.048 0.000 2.573 334 M HA 0.307 4.782 4.480 -0.009 0.000 0.309 334 M C 0.178 176.425 176.300 -0.088 0.000 1.202 334 M CA -0.585 54.662 55.300 -0.088 0.000 0.975 334 M CB 1.895 34.396 32.600 -0.165 0.000 1.600 334 M HN -0.083 nan 8.290 nan 0.000 0.479 335 T N -2.944 111.557 114.554 -0.087 0.000 2.932 335 T HA 0.448 4.793 4.350 -0.009 0.000 0.289 335 T C -0.659 173.998 174.700 -0.072 0.000 1.039 335 T CA -1.183 60.877 62.100 -0.066 0.000 1.024 335 T CB 1.250 70.094 68.868 -0.041 0.000 1.090 335 T HN 0.445 nan 8.240 nan 0.000 0.496 336 D N 0.917 121.283 120.400 -0.057 0.000 2.382 336 D HA 0.322 4.957 4.640 -0.009 0.000 0.240 336 D C 0.595 176.887 176.300 -0.014 0.000 1.146 336 D CA -0.209 53.764 54.000 -0.045 0.000 0.897 336 D CB 1.616 42.391 40.800 -0.041 0.000 1.197 336 D HN 0.655 nan 8.370 nan 0.000 0.432 337 K N -0.377 120.030 120.400 0.011 0.000 2.625 337 K HA 0.239 4.554 4.320 -0.009 0.000 0.202 337 K C 1.129 177.755 176.600 0.043 0.000 1.412 337 K CA 0.148 56.449 56.287 0.023 0.000 0.989 337 K CB 0.130 32.647 32.500 0.028 0.000 1.682 337 K HN 0.461 nan 8.250 nan 0.000 0.496 338 G N 2.263 111.112 108.800 0.081 0.000 2.233 338 G HA2 -0.290 3.665 3.960 -0.009 0.000 0.270 338 G HA3 -0.290 3.665 3.960 -0.009 0.000 0.270 338 G C -0.057 174.901 174.900 0.097 0.000 1.011 338 G CA 0.791 45.979 45.100 0.148 0.000 0.762 338 G HN 0.420 nan 8.290 nan 0.000 0.511 339 S N -1.201 114.467 115.700 -0.053 0.000 2.578 339 S HA 0.673 5.138 4.470 -0.009 0.000 0.301 339 S C -0.126 174.158 174.600 -0.528 0.000 1.091 339 S CA -0.957 57.140 58.200 -0.171 0.000 1.032 339 S CB 2.114 65.274 63.200 -0.067 0.000 1.064 339 S HN 1.082 nan 8.310 nan 0.000 0.508 340 Y N 3.291 123.170 120.300 -0.702 0.000 2.578 340 Y HA 0.324 4.868 4.550 -0.009 0.000 0.339 340 Y C -1.434 174.251 175.900 -0.359 0.000 1.231 340 Y CA -1.059 56.585 58.100 -0.759 0.000 1.461 340 Y CB 0.725 38.998 38.460 -0.312 0.000 1.323 340 Y HN 0.574 nan 8.280 nan 0.000 0.590 341 P HA 0.088 nan 4.420 nan 0.000 0.257 341 P C 0.026 177.007 177.300 -0.532 0.000 1.241 341 P CA 0.640 62.974 63.100 -1.276 0.000 0.816 341 P CB 0.547 31.430 31.700 -1.363 0.000 1.150 342 E N -0.522 119.434 120.200 -0.408 0.000 2.158 342 E HA -0.066 4.279 4.350 -0.009 0.000 0.191 342 E C -0.153 176.513 176.600 0.110 0.000 0.982 342 E CA 0.247 56.549 56.400 -0.163 0.000 0.823 342 E CB -0.915 28.704 29.700 -0.135 0.000 0.766 342 E HN 0.153 nan 8.360 nan 0.000 0.468 343 Y N 0.738 121.077 120.300 0.065 0.000 3.037 343 Y HA -0.264 4.280 4.550 -0.009 0.000 0.204 343 Y C 0.018 176.044 175.900 0.209 0.000 1.275 343 Y CA 0.319 58.495 58.100 0.127 0.000 1.066 343 Y CB -1.914 36.611 38.460 0.109 0.000 1.305 343 Y HN -0.075 nan 8.280 nan 0.000 0.499 344 S N 1.720 117.602 115.700 0.303 0.000 2.452 344 S HA 0.595 5.059 4.470 -0.009 0.000 0.284 344 S C 0.243 174.955 174.600 0.186 0.000 1.171 344 S CA -0.731 57.697 58.200 0.380 0.000 1.064 344 S CB 0.252 63.718 63.200 0.443 0.000 0.967 344 S HN 0.323 nan 8.310 nan 0.000 0.484 345 M N 7.158 126.816 119.600 0.096 0.000 2.746 345 M HA 0.280 4.754 4.480 -0.009 0.000 0.209 345 M C -2.370 173.796 176.300 -0.224 0.000 1.077 345 M CA -2.003 53.193 55.300 -0.174 0.000 0.695 345 M CB 0.496 32.800 32.600 -0.492 0.000 1.416 345 M HN 0.332 nan 8.290 nan 0.000 0.459 346 P HA -0.128 nan 4.420 nan 0.000 0.213 346 P C 1.552 178.794 177.300 -0.097 0.000 1.170 346 P CA 1.385 64.426 63.100 -0.099 0.000 0.893 346 P CB 0.285 31.826 31.700 -0.265 0.000 0.784 347 K N -0.800 119.526 120.400 -0.124 0.000 2.103 347 K HA -0.123 4.192 4.320 -0.009 0.000 0.207 347 K C 1.832 178.329 176.600 -0.173 0.000 1.048 347 K CA 1.872 58.080 56.287 -0.131 0.000 0.930 347 K CB -0.596 31.848 32.500 -0.093 0.000 0.716 347 K HN 0.045 nan 8.250 nan 0.000 0.444 348 T N 1.984 116.427 114.554 -0.184 0.000 2.746 348 T HA -0.129 4.215 4.350 -0.009 0.000 0.267 348 T C 1.726 176.301 174.700 -0.208 0.000 1.039 348 T CA 0.998 62.989 62.100 -0.182 0.000 1.142 348 T CB -0.111 68.632 68.868 -0.208 0.000 0.866 348 T HN 0.186 nan 8.240 nan 0.000 0.444 349 L N 0.998 122.064 121.223 -0.262 0.000 1.989 349 L HA -0.139 4.196 4.340 -0.009 0.000 0.211 349 L C 2.575 179.209 176.870 -0.393 0.000 1.071 349 L CA 1.482 56.209 54.840 -0.189 0.000 0.749 349 L CB -0.473 41.582 42.059 -0.007 0.000 0.890 349 L HN 0.153 nan 8.230 nan 0.000 0.431 350 V N -0.289 119.361 119.914 -0.440 0.000 2.287 350 V HA -0.359 3.756 4.120 -0.009 0.000 0.248 350 V C 2.434 178.205 176.094 -0.537 0.000 1.053 350 V CA 1.972 63.864 62.300 -0.679 0.000 1.027 350 V CB -0.722 30.878 31.823 -0.372 0.000 0.646 350 V HN 0.546 nan 8.190 nan 0.000 0.447 351 Q N -0.117 119.410 119.800 -0.455 0.000 2.096 351 Q HA -0.240 4.094 4.340 -0.009 0.000 0.204 351 Q C 2.358 178.201 176.000 -0.261 0.000 0.982 351 Q CA 1.913 57.427 55.803 -0.480 0.000 0.850 351 Q CB -0.393 28.158 28.738 -0.311 0.000 0.901 351 Q HN 0.769 nan 8.270 nan 0.000 0.422 352 N N 0.550 119.123 118.700 -0.211 0.000 2.142 352 N HA -0.144 4.591 4.740 -0.009 0.000 0.186 352 N C 1.844 177.232 175.510 -0.204 0.000 1.023 352 N CA 0.758 53.727 53.050 -0.135 0.000 0.852 352 N CB 0.044 38.487 38.487 -0.072 0.000 0.998 352 N HN 0.198 nan 8.380 nan 0.000 0.424 353 I N 1.122 121.470 120.570 -0.370 0.000 2.252 353 I HA -0.190 3.975 4.170 -0.009 0.000 0.245 353 I C 2.553 178.487 176.117 -0.304 0.000 1.102 353 I CA 0.855 61.907 61.300 -0.414 0.000 1.385 353 I CB -0.359 37.237 38.000 -0.672 0.000 1.064 353 I HN 0.186 nan 8.210 nan 0.000 0.414 354 A N 0.365 123.001 122.820 -0.307 0.000 1.902 354 A HA -0.210 4.104 4.320 -0.009 0.000 0.217 354 A C 2.359 179.893 177.584 -0.084 0.000 1.181 354 A CA 2.443 54.349 52.037 -0.219 0.000 0.623 354 A CB -1.044 17.880 19.000 -0.126 0.000 0.818 354 A HN 0.366 nan 8.150 nan 0.000 0.443 355 T N 0.554 115.091 114.554 -0.027 0.000 2.674 355 T HA -0.118 4.227 4.350 -0.009 0.000 0.265 355 T C 1.835 176.532 174.700 -0.004 0.000 1.039 355 T CA 1.575 63.696 62.100 0.035 0.000 1.150 355 T CB -0.435 68.465 68.868 0.053 0.000 0.864 355 T HN 0.379 nan 8.240 nan 0.000 0.427 356 L N 0.700 121.902 121.223 -0.035 0.000 2.042 356 L HA -0.130 4.204 4.340 -0.009 0.000 0.210 356 L C 3.064 179.913 176.870 -0.035 0.000 1.076 356 L CA 1.315 56.142 54.840 -0.022 0.000 0.749 356 L CB -0.748 41.298 42.059 -0.021 0.000 0.893 356 L HN 0.256 nan 8.230 nan 0.000 0.432 357 A N 0.365 123.135 122.820 -0.083 0.000 1.877 357 A HA -0.218 4.097 4.320 -0.009 0.000 0.216 357 A C 2.072 179.620 177.584 -0.059 0.000 1.186 357 A CA 1.976 53.957 52.037 -0.093 0.000 0.620 357 A CB -0.604 18.296 19.000 -0.166 0.000 0.822 357 A HN 0.449 nan 8.150 nan 0.000 0.443 358 N N -0.199 118.467 118.700 -0.056 0.000 2.166 358 N HA -0.170 4.564 4.740 -0.009 0.000 0.186 358 N C 1.755 177.266 175.510 0.000 0.000 1.019 358 N CA 1.478 54.513 53.050 -0.025 0.000 0.856 358 N CB -0.425 38.058 38.487 -0.008 0.000 0.993 358 N HN 0.825 nan 8.380 nan 0.000 0.426 359 E N 1.404 121.609 120.200 0.008 0.000 2.150 359 E HA -0.134 4.211 4.350 -0.009 0.000 0.193 359 E C 0.936 177.549 176.600 0.022 0.000 0.985 359 E CA 1.026 57.438 56.400 0.021 0.000 0.814 359 E CB 0.089 29.806 29.700 0.027 0.000 0.752 359 E HN 0.263 nan 8.360 nan 0.000 0.466 360 K N -0.624 119.786 120.400 0.017 0.000 2.426 360 K HA 0.117 4.432 4.320 -0.009 0.000 0.193 360 K C 0.831 177.445 176.600 0.024 0.000 1.028 360 K CA 0.450 56.753 56.287 0.026 0.000 1.047 360 K CB 0.544 33.063 32.500 0.032 0.000 0.821 360 K HN 0.294 nan 8.250 nan 0.000 0.513 361 G N 2.152 110.961 108.800 0.014 0.000 2.198 361 G HA2 -0.251 3.703 3.960 -0.009 0.000 0.257 361 G HA3 -0.251 3.703 3.960 -0.009 0.000 0.257 361 G C -0.086 174.824 174.900 0.016 0.000 1.042 361 G CA -0.196 44.912 45.100 0.014 0.000 0.791 361 G HN 0.230 nan 8.290 nan 0.000 0.502 362 I N 0.404 120.978 120.570 0.005 0.000 2.353 362 I HA 0.313 4.478 4.170 -0.009 0.000 0.293 362 I C 0.992 177.102 176.117 -0.012 0.000 0.992 362 I CA -1.160 60.147 61.300 0.011 0.000 1.268 362 I CB 1.741 39.743 38.000 0.004 0.000 1.387 362 I HN -0.125 nan 8.210 nan 0.000 0.478 363 V N 7.028 126.950 119.914 0.014 0.000 2.485 363 V HA -0.018 4.097 4.120 -0.009 0.000 0.287 363 V C 0.053 176.140 176.094 -0.011 0.000 1.022 363 V CA 0.045 62.351 62.300 0.010 0.000 1.067 363 V CB 0.875 32.722 31.823 0.040 0.000 0.967 363 V HN 0.358 nan 8.190 nan 0.000 0.479 364 L N 6.755 127.931 121.223 -0.077 0.000 2.296 364 L HA 0.577 4.912 4.340 -0.009 0.000 0.286 364 L C -0.246 176.602 176.870 -0.037 0.000 1.023 364 L CA 0.276 55.011 54.840 -0.175 0.000 0.812 364 L CB 1.389 43.144 42.059 -0.507 0.000 1.223 364 L HN 0.698 nan 8.230 nan 0.000 0.421 365 N N 2.354 121.150 118.700 0.160 0.000 2.328 365 N HA 0.902 5.636 4.740 -0.009 0.000 0.299 365 N C -0.815 175.054 175.510 0.599 0.000 1.179 365 N CA -0.551 52.749 53.050 0.417 0.000 0.793 365 N CB 2.080 40.797 38.487 0.384 0.000 1.366 365 N HN 0.750 nan 8.380 nan 0.000 0.493 366 G N -0.750 108.450 108.800 0.666 0.000 2.690 366 G HA2 0.667 4.622 3.960 -0.009 0.000 0.291 366 G HA3 0.667 4.622 3.960 -0.009 0.000 0.291 366 G C -1.769 173.346 174.900 0.357 0.000 1.403 366 G CA -0.637 44.808 45.100 0.575 0.000 0.864 366 G HN 0.666 nan 8.290 nan 0.000 0.480 367 E N -0.382 119.982 120.200 0.272 0.000 2.412 367 E HA 0.340 4.685 4.350 -0.009 0.000 0.279 367 E C -0.986 175.762 176.600 0.246 0.000 0.984 367 E CA -1.161 55.279 56.400 0.066 0.000 0.788 367 E CB 1.556 31.207 29.700 -0.081 0.000 1.277 367 E HN 0.532 nan 8.360 nan 0.000 0.455 368 N N 0.768 119.641 118.700 0.290 0.000 2.525 368 N HA 0.147 4.882 4.740 -0.009 0.000 0.271 368 N C 0.267 175.853 175.510 0.128 0.000 1.194 368 N CA 0.242 53.452 53.050 0.268 0.000 0.964 368 N CB 1.661 40.353 38.487 0.342 0.000 1.126 368 N HN 0.612 nan 8.380 nan 0.000 0.452 369 A N 2.283 125.163 122.820 0.100 0.000 1.903 369 A HA 0.182 4.496 4.320 -0.009 0.000 0.213 369 A C 1.035 178.648 177.584 0.049 0.000 1.185 369 A CA 0.571 52.646 52.037 0.063 0.000 0.628 369 A CB -0.073 18.971 19.000 0.072 0.000 0.830 369 A HN 0.655 nan 8.150 nan 0.000 0.446 370 L N -0.965 120.286 121.223 0.048 0.000 2.301 370 L HA 0.385 4.720 4.340 -0.009 0.000 0.264 370 L C -0.182 176.720 176.870 0.052 0.000 1.016 370 L CA -0.951 53.907 54.840 0.031 0.000 0.821 370 L CB 2.020 44.077 42.059 -0.004 0.000 1.346 370 L HN -0.019 nan 8.230 nan 0.000 0.429 371 S N 1.403 117.129 115.700 0.043 0.000 2.552 371 S HA 0.263 4.727 4.470 -0.009 0.000 0.289 371 S C -0.124 174.499 174.600 0.039 0.000 1.304 371 S CA -0.140 58.093 58.200 0.054 0.000 1.063 371 S CB -0.058 63.168 63.200 0.043 0.000 0.848 371 S HN 0.244 nan 8.310 nan 0.000 0.499 372 I N 2.687 123.289 120.570 0.054 0.000 2.315 372 I HA 0.288 4.453 4.170 -0.009 0.000 0.291 372 I C 1.304 177.373 176.117 -0.079 0.000 1.006 372 I CA -0.253 61.029 61.300 -0.030 0.000 1.265 372 I CB 1.260 39.237 38.000 -0.038 0.000 1.387 372 I HN 0.846 nan 8.210 nan 0.000 0.475 373 G N 5.096 113.837 108.800 -0.099 0.000 2.850 373 G HA2 0.024 3.979 3.960 -0.009 0.000 0.211 373 G HA3 0.024 3.979 3.960 -0.009 0.000 0.211 373 G C 0.226 175.057 174.900 -0.115 0.000 1.124 373 G CA -0.031 45.023 45.100 -0.075 0.000 0.769 373 G HN 0.683 nan 8.290 nan 0.000 0.535 374 N N -1.039 117.550 118.700 -0.184 0.000 2.469 374 N HA 0.313 5.048 4.740 -0.009 0.000 0.286 374 N C 0.749 176.077 175.510 -0.303 0.000 1.275 374 N CA -0.412 52.535 53.050 -0.171 0.000 0.790 374 N CB 1.143 39.573 38.487 -0.094 0.000 1.446 374 N HN 0.091 nan 8.380 nan 0.000 0.501 375 E N -0.756 119.344 120.200 -0.167 0.000 2.274 375 E HA -0.120 4.225 4.350 -0.009 0.000 0.194 375 E C 0.487 177.062 176.600 -0.041 0.000 0.996 375 E CA 0.672 57.018 56.400 -0.091 0.000 0.840 375 E CB -0.123 29.617 29.700 0.066 0.000 0.772 375 E HN 0.535 nan 8.360 nan 0.000 0.491 376 E N 1.566 121.732 120.200 -0.056 0.000 2.110 376 E HA -0.191 4.154 4.350 -0.009 0.000 0.193 376 E C 1.822 178.399 176.600 -0.039 0.000 0.988 376 E CA 1.254 57.636 56.400 -0.030 0.000 0.804 376 E CB -0.073 29.610 29.700 -0.029 0.000 0.745 376 E HN 0.568 nan 8.360 nan 0.000 0.458 377 E N -0.254 119.895 120.200 -0.086 0.000 2.150 377 E HA -0.160 4.184 4.350 -0.009 0.000 0.193 377 E C 1.893 178.494 176.600 0.003 0.000 0.985 377 E CA 0.643 57.003 56.400 -0.068 0.000 0.814 377 E CB -0.168 29.470 29.700 -0.103 0.000 0.752 377 E HN 0.253 nan 8.360 nan 0.000 0.466 378 Y N 1.400 121.673 120.300 -0.046 0.000 2.224 378 Y HA -0.128 4.418 4.550 -0.007 0.000 0.289 378 Y C 1.989 177.785 175.900 -0.172 0.000 1.146 378 Y CA 0.746 58.784 58.100 -0.103 0.000 1.182 378 Y CB -0.291 38.136 38.460 -0.056 0.000 0.983 378 Y HN -0.065 nan 8.280 nan 0.000 0.524 379 K N -0.350 120.080 120.400 0.051 0.000 2.147 379 K HA -0.166 4.148 4.320 -0.009 0.000 0.205 379 K C 2.238 178.795 176.600 -0.071 0.000 1.049 379 K CA 1.221 57.497 56.287 -0.019 0.000 0.936 379 K CB -0.117 32.386 32.500 0.006 0.000 0.722 379 K HN 0.137 nan 8.250 nan 0.000 0.446 380 R N 0.375 120.833 120.500 -0.069 0.000 2.075 380 R HA -0.064 4.271 4.340 -0.009 0.000 0.232 380 R C 2.208 178.395 176.300 -0.188 0.000 1.126 380 R CA 0.834 56.877 56.100 -0.094 0.000 0.963 380 R CB -0.266 29.993 30.300 -0.068 0.000 0.858 380 R HN -0.036 nan 8.270 nan 0.000 0.435 381 V N 0.634 120.398 119.914 -0.251 0.000 2.343 381 V HA -0.235 3.879 4.120 -0.009 0.000 0.247 381 V C 2.297 178.009 176.094 -0.636 0.000 1.051 381 V CA 1.943 63.956 62.300 -0.478 0.000 1.036 381 V CB -0.732 30.688 31.823 -0.672 0.000 0.654 381 V HN 0.445 nan 8.190 nan 0.000 0.451 382 A N -0.291 122.202 122.820 -0.546 0.000 1.908 382 A HA -0.317 3.998 4.320 -0.009 0.000 0.218 382 A C 2.298 179.583 177.584 -0.497 0.000 1.181 382 A CA 2.233 53.894 52.037 -0.626 0.000 0.627 382 A CB -0.562 18.285 19.000 -0.256 0.000 0.818 382 A HN 0.658 nan 8.150 nan 0.000 0.445 383 E N -1.074 118.956 120.200 -0.283 0.000 2.051 383 E HA -0.217 4.128 4.350 -0.009 0.000 0.192 383 E C 2.003 178.481 176.600 -0.204 0.000 0.991 383 E CA 1.589 57.872 56.400 -0.196 0.000 0.799 383 E CB -0.174 29.483 29.700 -0.072 0.000 0.748 383 E HN 0.469 nan 8.360 nan 0.000 0.449 384 M N 0.545 120.010 119.600 -0.225 0.000 2.099 384 M HA -0.049 4.426 4.480 -0.009 0.000 0.262 384 M C 2.477 178.628 176.300 -0.249 0.000 1.067 384 M CA 1.506 56.719 55.300 -0.145 0.000 1.124 384 M CB -1.384 30.996 32.600 -0.366 0.000 1.353 384 M HN 0.236 nan 8.290 nan 0.000 0.410 385 A N -0.011 122.415 122.820 -0.658 0.000 1.865 385 A HA -0.156 4.158 4.320 -0.009 0.000 0.217 385 A C 2.045 179.412 177.584 -0.362 0.000 1.191 385 A CA 1.638 53.254 52.037 -0.701 0.000 0.623 385 A CB -1.200 17.131 19.000 -1.116 0.000 0.826 385 A HN 0.480 nan 8.150 nan 0.000 0.444 386 F N -0.686 119.116 119.950 -0.247 0.000 2.710 386 F HA 0.043 4.566 4.527 -0.007 0.000 0.298 386 F C 1.977 177.633 175.800 -0.240 0.000 1.137 386 F CA 0.236 58.081 58.000 -0.259 0.000 1.444 386 F CB 0.079 38.876 39.000 -0.338 0.000 1.111 386 F HN 0.221 nan 8.300 nan 0.000 0.580 387 N N -1.301 117.304 118.700 -0.158 0.000 2.250 387 N HA 0.020 4.755 4.740 -0.009 0.000 0.190 387 N C 0.129 175.340 175.510 -0.498 0.000 1.116 387 N CA 0.480 53.262 53.050 -0.446 0.000 0.881 387 N CB 0.337 38.201 38.487 -1.038 0.000 1.006 387 N HN 0.303 nan 8.380 nan 0.000 0.491 388 Y N 0.428 120.751 120.300 0.039 0.000 2.696 388 Y HA 0.226 4.771 4.550 -0.009 0.000 0.260 388 Y C 0.326 176.298 175.900 0.121 0.000 1.165 388 Y CA -0.512 57.668 58.100 0.134 0.000 1.189 388 Y CB 0.102 38.711 38.460 0.248 0.000 1.180 388 Y HN -0.112 nan 8.280 nan 0.000 0.538 389 N N 0.109 118.922 118.700 0.189 0.000 2.754 389 N HA -0.238 4.496 4.740 -0.009 0.000 0.248 389 N C -1.077 174.516 175.510 0.138 0.000 1.093 389 N CA 0.216 53.343 53.050 0.127 0.000 0.699 389 N CB -1.723 36.789 38.487 0.042 0.000 1.016 389 N HN 0.184 nan 8.380 nan 0.000 0.552 390 F N 0.092 120.110 119.950 0.113 0.000 2.504 390 F HA 0.358 4.878 4.527 -0.011 0.000 0.369 390 F C 1.766 177.715 175.800 0.248 0.000 1.082 390 F CA 0.402 58.499 58.000 0.161 0.000 1.216 390 F CB 0.668 39.757 39.000 0.149 0.000 1.108 390 F HN 0.221 nan 8.300 nan 0.000 0.554 391 A N 3.006 126.014 122.820 0.313 0.000 2.123 391 A HA 0.459 4.774 4.320 -0.009 0.000 0.214 391 A C 1.062 178.788 177.584 0.237 0.000 1.152 391 A CA 0.997 53.188 52.037 0.257 0.000 0.728 391 A CB -0.545 18.543 19.000 0.146 0.000 0.814 391 A HN 0.846 nan 8.150 nan 0.000 0.464 392 G N -2.064 106.937 108.800 0.336 0.000 2.673 392 G HA2 0.470 4.425 3.960 -0.009 0.000 0.292 392 G HA3 0.470 4.425 3.960 -0.009 0.000 0.292 392 G C -1.684 173.440 174.900 0.373 0.000 1.450 392 G CA -0.478 44.701 45.100 0.132 0.000 0.837 392 G HN 0.407 nan 8.290 nan 0.000 0.505 393 F N 1.165 121.143 119.950 0.048 0.000 2.557 393 F HA 0.720 5.240 4.527 -0.011 0.000 0.316 393 F C -0.421 175.519 175.800 0.233 0.000 1.141 393 F CA -0.614 57.503 58.000 0.195 0.000 0.922 393 F CB 2.444 41.563 39.000 0.198 0.000 1.194 393 F HN 0.421 nan 8.300 nan 0.000 0.443 394 T N 7.388 121.550 114.554 -0.653 0.000 2.758 394 T HA 0.447 4.791 4.350 -0.009 0.000 0.285 394 T C -1.027 173.202 174.700 -0.785 0.000 0.981 394 T CA -0.374 61.490 62.100 -0.394 0.000 0.965 394 T CB 1.064 69.894 68.868 -0.064 0.000 0.927 394 T HN 0.563 nan 8.240 nan 0.000 0.448 395 L N 4.951 125.971 121.223 -0.337 0.000 2.265 395 L HA 0.528 4.862 4.340 -0.009 0.000 0.288 395 L C -1.223 175.622 176.870 -0.043 0.000 1.058 395 L CA -0.471 54.309 54.840 -0.101 0.000 0.809 395 L CB 0.334 42.471 42.059 0.130 0.000 1.179 395 L HN 0.474 nan 8.230 nan 0.000 0.429 396 L N 6.819 128.048 121.223 0.010 0.000 2.262 396 L HA 0.661 4.995 4.340 -0.009 0.000 0.288 396 L C 0.002 176.910 176.870 0.063 0.000 1.035 396 L CA 0.154 55.007 54.840 0.023 0.000 0.820 396 L CB 0.723 42.795 42.059 0.022 0.000 1.204 396 L HN 0.780 nan 8.230 nan 0.000 0.424 397 R N 1.483 122.012 120.500 0.047 0.000 2.747 397 R HA 0.312 4.647 4.340 -0.009 0.000 0.272 397 R C 0.527 176.840 176.300 0.023 0.000 1.032 397 R CA -0.858 55.259 56.100 0.028 0.000 0.896 397 R CB 0.336 30.665 30.300 0.048 0.000 1.253 397 R HN 0.210 nan 8.270 nan 0.000 0.461 398 Y N 1.571 121.791 120.300 -0.135 0.000 1.924 398 Y HA -0.490 4.054 4.550 -0.010 0.000 0.194 398 Y C 2.563 178.322 175.900 -0.235 0.000 1.165 398 Y CA 3.461 61.453 58.100 -0.181 0.000 0.921 398 Y CB -0.279 38.124 38.460 -0.094 0.000 0.739 398 Y HN 0.781 nan 8.280 nan 0.000 0.568 399 Q N -0.483 119.304 119.800 -0.020 0.000 2.197 399 Q HA -0.213 4.122 4.340 -0.009 0.000 0.207 399 Q C 1.609 177.498 176.000 -0.186 0.000 0.984 399 Q CA 1.883 57.539 55.803 -0.246 0.000 0.869 399 Q CB -0.823 27.976 28.738 0.102 0.000 0.906 399 Q HN 0.606 nan 8.270 nan 0.000 0.426 400 D N 1.431 121.797 120.400 -0.056 0.000 2.104 400 D HA -0.132 4.503 4.640 -0.009 0.000 0.194 400 D C 2.187 178.492 176.300 0.009 0.000 0.994 400 D CA 2.236 56.244 54.000 0.014 0.000 0.830 400 D CB -0.110 40.721 40.800 0.053 0.000 0.959 400 D HN 0.413 nan 8.370 nan 0.000 0.452 401 V N -2.160 117.719 119.914 -0.057 0.000 3.125 401 V HA 0.077 4.192 4.120 -0.009 0.000 0.249 401 V C 2.162 178.209 176.094 -0.078 0.000 1.113 401 V CA 0.329 62.622 62.300 -0.010 0.000 1.106 401 V CB -0.291 31.529 31.823 -0.004 0.000 0.768 401 V HN -0.084 nan 8.190 nan 0.000 0.468 402 M N 1.153 120.553 119.600 -0.333 0.000 2.108 402 M HA -0.026 4.449 4.480 -0.009 0.000 0.261 402 M C 1.511 177.700 176.300 -0.185 0.000 1.066 402 M CA 1.782 56.813 55.300 -0.449 0.000 1.107 402 M CB -0.797 31.139 32.600 -1.108 0.000 1.356 402 M HN 0.549 nan 8.290 nan 0.000 0.406 403 Y N -1.344 118.968 120.300 0.019 0.000 2.756 403 Y HA 0.343 4.888 4.550 -0.008 0.000 0.300 403 Y C 0.307 176.244 175.900 0.062 0.000 1.113 403 Y CA -0.872 57.253 58.100 0.041 0.000 1.291 403 Y CB 0.015 38.496 38.460 0.035 0.000 1.175 403 Y HN 0.119 nan 8.280 nan 0.000 0.534 404 N N 0.761 119.576 118.700 0.192 0.000 2.827 404 N HA 0.055 4.789 4.740 -0.009 0.000 0.240 404 N C -0.419 175.203 175.510 0.187 0.000 1.352 404 N CA -0.038 53.112 53.050 0.166 0.000 0.760 404 N CB 0.175 38.745 38.487 0.139 0.000 1.426 404 N HN 0.176 nan 8.380 nan 0.000 0.561 405 N N 0.004 118.824 118.700 0.200 0.000 2.137 405 N HA -0.128 4.606 4.740 -0.009 0.000 0.190 405 N C 1.329 176.963 175.510 0.207 0.000 1.017 405 N CA 1.777 54.972 53.050 0.242 0.000 0.859 405 N CB 0.275 38.889 38.487 0.211 0.000 1.002 405 N HN 0.392 nan 8.380 nan 0.000 0.428 406 S N 0.211 116.009 115.700 0.163 0.000 2.348 406 S HA -0.063 4.402 4.470 -0.009 0.000 0.221 406 S C 1.917 176.625 174.600 0.181 0.000 1.033 406 S CA 0.787 59.075 58.200 0.146 0.000 1.010 406 S CB -0.350 62.916 63.200 0.111 0.000 0.891 406 S HN 0.263 nan 8.310 nan 0.000 0.442 407 L N 0.438 121.780 121.223 0.198 0.000 2.056 407 L HA -0.114 4.220 4.340 -0.009 0.000 0.207 407 L C 2.583 179.671 176.870 0.363 0.000 1.078 407 L CA 1.182 56.197 54.840 0.291 0.000 0.749 407 L CB -0.409 41.796 42.059 0.243 0.000 0.901 407 L HN 0.341 nan 8.230 nan 0.000 0.433 408 M N 0.249 120.006 119.600 0.262 0.000 2.108 408 M HA -0.118 4.357 4.480 -0.009 0.000 0.261 408 M C 1.998 178.408 176.300 0.183 0.000 1.066 408 M CA 2.118 57.545 55.300 0.212 0.000 1.107 408 M CB -1.004 31.705 32.600 0.181 0.000 1.356 408 M HN 0.125 nan 8.290 nan 0.000 0.406 409 G N 0.007 108.915 108.800 0.180 0.000 2.418 409 G HA2 -0.191 3.763 3.960 -0.009 0.000 0.217 409 G HA3 -0.191 3.763 3.960 -0.009 0.000 0.217 409 G C 1.609 176.578 174.900 0.115 0.000 1.158 409 G CA 0.744 45.922 45.100 0.131 0.000 0.771 409 G HN 0.365 nan 8.290 nan 0.000 0.545 410 K N 0.082 120.590 120.400 0.180 0.000 2.057 410 K HA 0.009 4.324 4.320 -0.009 0.000 0.206 410 K C 2.058 178.691 176.600 0.055 0.000 1.050 410 K CA 0.533 56.927 56.287 0.179 0.000 0.935 410 K CB -0.736 31.962 32.500 0.329 0.000 0.715 410 K HN 0.412 nan 8.250 nan 0.000 0.439 411 F N 2.562 122.448 119.950 -0.107 0.000 2.102 411 F HA -0.229 4.292 4.527 -0.010 0.000 0.298 411 F C 2.511 178.127 175.800 -0.306 0.000 1.105 411 F CA 1.804 59.536 58.000 -0.448 0.000 1.239 411 F CB -0.079 38.684 39.000 -0.395 0.000 0.991 411 F HN -0.034 nan 8.300 nan 0.000 0.474 412 K N 0.182 120.578 120.400 -0.008 0.000 2.020 412 K HA -0.298 4.016 4.320 -0.009 0.000 0.212 412 K C 1.967 178.458 176.600 -0.182 0.000 1.050 412 K CA 2.243 58.472 56.287 -0.096 0.000 0.929 412 K CB -0.617 31.845 32.500 -0.064 0.000 0.714 412 K HN 0.377 nan 8.250 nan 0.000 0.443 413 D N -0.028 120.293 120.400 -0.132 0.000 2.084 413 D HA -0.165 4.470 4.640 -0.009 0.000 0.194 413 D C 1.929 178.119 176.300 -0.183 0.000 0.990 413 D CA 1.208 55.135 54.000 -0.122 0.000 0.826 413 D CB 0.049 40.816 40.800 -0.055 0.000 0.971 413 D HN 0.131 nan 8.370 nan 0.000 0.453 414 L N -0.343 120.738 121.223 -0.236 0.000 2.068 414 L HA 0.056 4.391 4.340 -0.009 0.000 0.204 414 L C 2.352 179.024 176.870 -0.331 0.000 1.076 414 L CA 1.195 55.884 54.840 -0.252 0.000 0.753 414 L CB -0.939 40.989 42.059 -0.217 0.000 0.910 414 L HN 0.257 nan 8.230 nan 0.000 0.439 415 L N -1.769 119.040 121.223 -0.690 0.000 2.685 415 L HA 0.234 4.569 4.340 -0.009 0.000 0.235 415 L C 1.505 178.062 176.870 -0.523 0.000 1.070 415 L CA 0.218 54.636 54.840 -0.704 0.000 0.888 415 L CB -0.073 41.270 42.059 -1.195 0.000 1.203 415 L HN 0.205 nan 8.230 nan 0.000 0.499 416 G N 1.882 110.278 108.800 -0.673 0.000 3.455 416 G HA2 0.344 4.299 3.960 -0.009 0.000 0.250 416 G HA3 0.344 4.299 3.960 -0.009 0.000 0.250 416 G C 0.109 174.925 174.900 -0.141 0.000 1.071 416 G CA 0.012 44.958 45.100 -0.257 0.000 1.812 416 G HN 0.037 nan 8.290 nan 0.000 0.643 417 V N -2.123 117.755 119.914 -0.061 0.000 2.713 417 V HA 0.763 4.878 4.120 -0.009 0.000 0.307 417 V C 0.003 176.086 176.094 -0.019 0.000 1.052 417 V CA -0.838 61.407 62.300 -0.092 0.000 0.967 417 V CB 1.782 33.471 31.823 -0.224 0.000 1.019 417 V HN 0.034 nan 8.190 nan 0.000 0.459 418 T N 5.581 120.089 114.554 -0.077 0.000 2.753 418 T HA 0.449 4.794 4.350 -0.009 0.000 0.297 418 T C -2.551 172.088 174.700 -0.101 0.000 0.981 418 T CA -0.864 61.199 62.100 -0.063 0.000 0.956 418 T CB 1.109 69.936 68.868 -0.069 0.000 0.936 418 T HN 0.783 nan 8.240 nan 0.000 0.463 419 P HA 0.325 nan 4.420 nan 0.000 0.271 419 P C -0.883 176.351 177.300 -0.111 0.000 1.216 419 P CA -0.273 62.755 63.100 -0.119 0.000 0.771 419 P CB 0.927 32.588 31.700 -0.065 0.000 0.864 420 V N 4.246 124.076 119.914 -0.141 0.000 2.925 420 V HA 0.360 4.475 4.120 -0.009 0.000 0.311 420 V C 0.396 176.419 176.094 -0.118 0.000 1.104 420 V CA -0.806 61.418 62.300 -0.126 0.000 0.954 420 V CB 2.295 34.023 31.823 -0.158 0.000 1.022 420 V HN 0.517 nan 8.190 nan 0.000 0.427 421 M N 4.054 123.606 119.600 -0.081 0.000 2.180 421 M HA 0.479 4.954 4.480 -0.009 0.000 0.358 421 M C -0.611 175.666 176.300 -0.037 0.000 1.233 421 M CA -0.228 55.040 55.300 -0.053 0.000 1.114 421 M CB 1.131 33.714 32.600 -0.029 0.000 1.594 421 M HN 0.601 nan 8.290 nan 0.000 0.467 422 Q N 1.462 121.258 119.800 -0.006 0.000 2.484 422 Q HA 0.546 4.881 4.340 -0.009 0.000 0.285 422 Q C -1.090 174.984 176.000 0.123 0.000 1.097 422 Q CA -0.591 55.263 55.803 0.085 0.000 0.802 422 Q CB 2.528 31.335 28.738 0.115 0.000 1.444 422 Q HN 0.516 nan 8.270 nan 0.000 0.429 423 T N 1.637 116.300 114.554 0.182 0.000 2.786 423 T HA 0.495 4.839 4.350 -0.009 0.000 0.283 423 T C -0.162 174.622 174.700 0.141 0.000 0.992 423 T CA -0.457 61.720 62.100 0.129 0.000 0.954 423 T CB 0.470 69.395 68.868 0.095 0.000 0.934 423 T HN 0.241 nan 8.240 nan 0.000 0.440 424 I N 4.215 124.844 120.570 0.098 0.000 2.331 424 I HA 0.386 4.551 4.170 -0.009 0.000 0.292 424 I C -0.107 176.082 176.117 0.120 0.000 0.998 424 I CA -0.810 60.541 61.300 0.085 0.000 1.267 424 I CB 1.204 39.211 38.000 0.012 0.000 1.386 424 I HN 0.295 nan 8.210 nan 0.000 0.476 425 V N 7.461 127.458 119.914 0.138 0.000 2.376 425 V HA 0.401 4.516 4.120 -0.009 0.000 0.287 425 V C -0.009 176.195 176.094 0.183 0.000 1.015 425 V CA -0.674 61.710 62.300 0.140 0.000 0.834 425 V CB 2.094 33.970 31.823 0.088 0.000 1.001 425 V HN 0.426 nan 8.190 nan 0.000 0.428 426 V N 6.337 126.392 119.914 0.236 0.000 2.384 426 V HA 0.561 4.675 4.120 -0.009 0.000 0.287 426 V C 0.126 176.400 176.094 0.299 0.000 1.020 426 V CA -0.773 61.690 62.300 0.272 0.000 0.850 426 V CB 1.657 33.669 31.823 0.315 0.000 0.987 426 V HN 0.932 nan 8.190 nan 0.000 0.436 427 K N 2.913 123.462 120.400 0.249 0.000 2.306 427 K HA 0.576 4.891 4.320 -0.009 0.000 0.236 427 K C -0.231 176.515 176.600 0.243 0.000 1.013 427 K CA -0.856 55.569 56.287 0.231 0.000 0.857 427 K CB 1.203 33.791 32.500 0.147 0.000 1.214 427 K HN 0.448 nan 8.250 nan 0.000 0.449 428 N N -1.038 117.778 118.700 0.193 0.000 2.776 428 N HA -0.126 4.608 4.740 -0.009 0.000 0.249 428 N C -0.900 174.660 175.510 0.083 0.000 1.111 428 N CA 0.620 53.760 53.050 0.150 0.000 0.711 428 N CB -1.763 36.826 38.487 0.170 0.000 1.065 428 N HN 0.425 nan 8.380 nan 0.000 0.556 429 V N 2.341 122.264 119.914 0.015 0.000 2.427 429 V HA 0.177 4.292 4.120 -0.009 0.000 0.268 429 V C -1.185 174.631 176.094 -0.464 0.000 1.046 429 V CA -0.837 61.202 62.300 -0.436 0.000 0.970 429 V CB 1.140 32.707 31.823 -0.428 0.000 1.001 429 V HN 0.062 nan 8.190 nan 0.000 0.476 430 P HA 0.081 nan 4.420 nan 0.000 0.226 430 P C 0.158 177.224 177.300 -0.391 0.000 1.783 430 P CA 0.089 62.948 63.100 -0.401 0.000 0.980 430 P CB 0.050 31.553 31.700 -0.329 0.000 1.967 431 T N 0.753 115.103 114.554 -0.342 0.000 2.913 431 T HA 0.408 4.752 4.350 -0.009 0.000 0.287 431 T C 0.483 175.091 174.700 -0.154 0.000 1.008 431 T CA 0.001 61.932 62.100 -0.281 0.000 1.067 431 T CB 0.739 69.451 68.868 -0.260 0.000 0.996 431 T HN 0.320 nan 8.240 nan 0.000 0.513 432 T N 1.667 116.147 114.554 -0.123 0.000 2.844 432 T HA 0.599 4.944 4.350 -0.009 0.000 0.274 432 T C 0.085 174.751 174.700 -0.056 0.000 0.991 432 T CA -0.895 61.158 62.100 -0.079 0.000 0.983 432 T CB 0.594 69.424 68.868 -0.063 0.000 1.310 432 T HN 0.484 nan 8.240 nan 0.000 0.596 433 I N 1.244 121.789 120.570 -0.041 0.000 2.517 433 I HA 0.450 4.615 4.170 -0.009 0.000 0.285 433 I C 1.342 177.451 176.117 -0.013 0.000 1.106 433 I CA 1.387 62.672 61.300 -0.026 0.000 1.402 433 I CB -0.082 37.905 38.000 -0.022 0.000 1.399 433 I HN 1.113 nan 8.210 nan 0.000 0.535 434 G N 4.328 113.129 108.800 0.002 0.000 2.213 434 G HA2 -0.210 3.744 3.960 -0.009 0.000 0.226 434 G HA3 -0.210 3.744 3.960 -0.009 0.000 0.226 434 G C 0.163 175.069 174.900 0.009 0.000 0.992 434 G CA -0.026 45.081 45.100 0.012 0.000 0.632 434 G HN 0.561 nan 8.290 nan 0.000 0.511 435 D N 1.062 121.452 120.400 -0.017 0.000 2.377 435 D HA 0.613 5.248 4.640 -0.009 0.000 0.245 435 D C 0.670 176.932 176.300 -0.063 0.000 1.196 435 D CA 1.059 55.023 54.000 -0.060 0.000 0.962 435 D CB 0.935 41.652 40.800 -0.139 0.000 1.127 435 D HN 0.319 nan 8.370 nan 0.000 0.471 436 T N -1.500 112.968 114.554 -0.143 0.000 2.933 436 T HA 0.522 4.867 4.350 -0.009 0.000 0.305 436 T C -0.503 173.903 174.700 -0.490 0.000 1.092 436 T CA -0.837 61.129 62.100 -0.223 0.000 1.008 436 T CB 1.409 70.276 68.868 -0.002 0.000 1.102 436 T HN 0.026 nan 8.240 nan 0.000 0.469 437 V N 2.593 121.986 119.914 -0.868 0.000 2.483 437 V HA 0.673 4.788 4.120 -0.009 0.000 0.295 437 V C -1.241 174.366 176.094 -0.811 0.000 1.035 437 V CA -0.570 61.202 62.300 -0.880 0.000 0.896 437 V CB 0.959 32.011 31.823 -1.285 0.000 0.986 437 V HN 0.884 nan 8.190 nan 0.000 0.447 438 Y N 3.767 123.611 120.300 -0.761 0.000 2.644 438 Y HA 0.764 5.309 4.550 -0.008 0.000 0.338 438 Y C -0.035 175.494 175.900 -0.619 0.000 1.119 438 Y CA -1.074 56.592 58.100 -0.723 0.000 1.060 438 Y CB 2.009 39.876 38.460 -0.990 0.000 1.294 438 Y HN 0.586 nan 8.280 nan 0.000 0.472 439 I N -1.088 119.449 120.570 -0.055 0.000 2.769 439 I HA 0.890 5.055 4.170 -0.009 0.000 0.298 439 I C -0.943 175.346 176.117 0.287 0.000 1.128 439 I CA -0.719 60.673 61.300 0.154 0.000 1.031 439 I CB 2.484 40.568 38.000 0.140 0.000 1.235 439 I HN 0.537 nan 8.210 nan 0.000 0.423 440 T N 2.244 117.029 114.554 0.385 0.000 2.894 440 T HA 0.836 5.181 4.350 -0.009 0.000 0.309 440 T C -0.610 174.031 174.700 -0.099 0.000 1.208 440 T CA -0.155 62.084 62.100 0.233 0.000 1.016 440 T CB 1.902 71.025 68.868 0.424 0.000 1.192 440 T HN 1.217 nan 8.240 nan 0.000 0.491 441 G N 1.692 110.179 108.800 -0.522 0.000 2.827 441 G HA2 0.413 4.368 3.960 -0.009 0.000 0.296 441 G HA3 0.413 4.368 3.960 -0.009 0.000 0.296 441 G C 0.533 174.550 174.900 -1.472 0.000 1.362 441 G CA -0.174 44.254 45.100 -1.121 0.000 0.809 441 G HN 0.679 nan 8.290 nan 0.000 0.522 442 N N -0.386 117.684 118.700 -1.049 0.000 2.188 442 N HA -0.060 4.675 4.740 -0.009 0.000 0.184 442 N C 0.842 176.214 175.510 -0.231 0.000 1.018 442 N CA 0.656 53.428 53.050 -0.464 0.000 0.858 442 N CB -0.185 38.350 38.487 0.080 0.000 0.989 442 N HN 0.431 nan 8.380 nan 0.000 0.426 443 R N -0.274 120.097 120.500 -0.214 0.000 2.615 443 R HA 0.409 4.744 4.340 -0.009 0.000 0.270 443 R C 1.218 177.433 176.300 -0.141 0.000 1.081 443 R CA 0.193 56.204 56.100 -0.148 0.000 1.154 443 R CB 0.493 30.693 30.300 -0.167 0.000 1.063 443 R HN 0.228 nan 8.270 nan 0.000 0.519 444 A N 2.130 124.903 122.820 -0.078 0.000 1.978 444 A HA -0.195 4.120 4.320 -0.009 0.000 0.220 444 A C 1.659 179.204 177.584 -0.065 0.000 1.170 444 A CA 1.551 53.566 52.037 -0.036 0.000 0.636 444 A CB -0.278 18.751 19.000 0.049 0.000 0.810 444 A HN 0.803 nan 8.150 nan 0.000 0.448 445 E N -0.347 119.756 120.200 -0.161 0.000 2.204 445 E HA -0.052 4.293 4.350 -0.009 0.000 0.195 445 E C 1.470 177.950 176.600 -0.200 0.000 0.990 445 E CA 0.843 57.079 56.400 -0.274 0.000 0.821 445 E CB -0.173 29.239 29.700 -0.480 0.000 0.750 445 E HN 0.641 nan 8.360 nan 0.000 0.477 446 L N -1.522 119.590 121.223 -0.186 0.000 2.607 446 L HA 0.284 4.619 4.340 -0.009 0.000 0.228 446 L C 1.223 178.036 176.870 -0.095 0.000 1.123 446 L CA 0.322 55.065 54.840 -0.161 0.000 0.890 446 L CB 0.473 42.398 42.059 -0.223 0.000 1.103 446 L HN 0.342 nan 8.230 nan 0.000 0.468 447 G N -1.188 107.567 108.800 -0.075 0.000 2.179 447 G HA2 -0.282 3.672 3.960 -0.009 0.000 0.220 447 G HA3 -0.282 3.672 3.960 -0.009 0.000 0.220 447 G C 0.551 175.511 174.900 0.101 0.000 0.990 447 G CA -0.007 45.126 45.100 0.055 0.000 0.646 447 G HN 0.141 nan 8.290 nan 0.000 0.517 448 S N -1.627 114.044 115.700 -0.049 0.000 3.682 448 S HA -0.281 4.184 4.470 -0.009 0.000 0.354 448 S C 1.039 175.724 174.600 0.143 0.000 1.034 448 S CA 1.672 59.861 58.200 -0.019 0.000 1.084 448 S CB -2.107 61.150 63.200 0.095 0.000 0.903 448 S HN 1.874 nan 8.310 nan 0.000 0.470 449 W N -1.887 119.488 121.300 0.126 0.000 2.869 449 W HA -0.237 4.420 4.660 -0.005 0.000 0.285 449 W C 0.241 176.826 176.519 0.109 0.000 1.098 449 W CA 0.531 57.951 57.345 0.125 0.000 0.571 449 W CB -1.719 27.769 29.460 0.046 0.000 2.131 449 W HN 0.627 nan 8.180 nan 0.000 1.367 450 D N 0.391 120.949 120.400 0.262 0.000 2.308 450 D HA 0.375 5.010 4.640 -0.009 0.000 0.251 450 D C 1.306 177.657 176.300 0.084 0.000 1.127 450 D CA 1.078 55.160 54.000 0.137 0.000 0.876 450 D CB 1.155 42.001 40.800 0.076 0.000 1.176 450 D HN 0.066 nan 8.370 nan 0.000 0.446 451 T N 0.140 114.668 114.554 -0.043 0.000 3.010 451 T HA 0.144 4.489 4.350 -0.009 0.000 0.257 451 T C 1.437 176.052 174.700 -0.143 0.000 1.020 451 T CA -0.225 61.766 62.100 -0.181 0.000 0.938 451 T CB 0.171 68.689 68.868 -0.584 0.000 1.049 451 T HN 0.207 nan 8.240 nan 0.000 0.522 452 K N 2.065 122.387 120.400 -0.130 0.000 1.991 452 K HA 0.034 4.349 4.320 -0.009 0.000 0.208 452 K C 1.771 178.283 176.600 -0.146 0.000 1.038 452 K CA 1.576 57.779 56.287 -0.139 0.000 0.943 452 K CB 0.125 32.540 32.500 -0.141 0.000 0.736 452 K HN 0.431 nan 8.250 nan 0.000 0.440 453 Q N -2.032 117.642 119.800 -0.211 0.000 2.127 453 Q HA 0.197 4.531 4.340 -0.009 0.000 0.222 453 Q C 0.093 176.101 176.000 0.013 0.000 0.794 453 Q CA 0.022 55.733 55.803 -0.152 0.000 1.010 453 Q CB 0.459 29.096 28.738 -0.169 0.000 1.170 453 Q HN 0.202 nan 8.270 nan 0.000 0.479 454 Y N 0.707 120.993 120.300 -0.023 0.000 2.453 454 Y HA 0.373 4.918 4.550 -0.008 0.000 0.247 454 Y C -1.880 174.034 175.900 0.023 0.000 1.124 454 Y CA -2.315 55.771 58.100 -0.024 0.000 1.243 454 Y CB -0.469 37.977 38.460 -0.025 0.000 1.213 454 Y HN 0.025 nan 8.280 nan 0.000 0.523 455 P HA 0.030 nan 4.420 nan 0.000 0.271 455 P C -0.057 177.397 177.300 0.256 0.000 1.218 455 P CA 0.414 63.660 63.100 0.243 0.000 0.780 455 P CB 1.429 33.319 31.700 0.316 0.000 0.901 456 I N 1.902 122.588 120.570 0.193 0.000 2.371 456 I HA 0.225 4.389 4.170 -0.009 0.000 0.290 456 I C 1.048 177.201 176.117 0.059 0.000 1.028 456 I CA -0.344 61.020 61.300 0.106 0.000 1.345 456 I CB -0.227 37.781 38.000 0.014 0.000 1.407 456 I HN 0.483 nan 8.210 nan 0.000 0.501 457 Q N 5.911 125.656 119.800 -0.092 0.000 2.288 457 Q HA 0.421 4.756 4.340 -0.009 0.000 0.258 457 Q C -0.996 174.596 176.000 -0.680 0.000 0.957 457 Q CA -0.384 55.038 55.803 -0.636 0.000 0.919 457 Q CB 0.980 29.319 28.738 -0.666 0.000 1.185 457 Q HN 0.567 nan 8.270 nan 0.000 0.408 458 L N 3.652 124.485 121.223 -0.651 0.000 2.431 458 L HA 0.445 4.779 4.340 -0.009 0.000 0.260 458 L C -0.787 175.806 176.870 -0.462 0.000 1.098 458 L CA -0.820 53.809 54.840 -0.353 0.000 0.800 458 L CB 0.720 42.759 42.059 -0.033 0.000 1.210 458 L HN 0.682 nan 8.230 nan 0.000 0.465 459 Y N -1.080 119.348 120.300 0.213 0.000 2.499 459 Y HA 0.263 4.807 4.550 -0.011 0.000 0.347 459 Y C -0.638 175.128 175.900 -0.224 0.000 0.987 459 Y CA -0.687 57.462 58.100 0.082 0.000 1.044 459 Y CB 1.686 40.130 38.460 -0.026 0.000 1.245 459 Y HN 0.269 nan 8.280 nan 0.000 0.461 460 Y N 3.268 123.128 120.300 -0.733 0.000 2.486 460 Y HA 0.112 4.658 4.550 -0.007 0.000 0.348 460 Y C 0.190 175.792 175.900 -0.496 0.000 1.000 460 Y CA -0.903 56.496 58.100 -1.168 0.000 1.253 460 Y CB 0.329 37.870 38.460 -1.531 0.000 1.140 460 Y HN 0.548 nan 8.280 nan 0.000 0.526 461 D N 4.915 124.779 120.400 -0.893 0.000 2.455 461 D HA -0.056 4.578 4.640 -0.009 0.000 0.234 461 D C -0.333 175.410 176.300 -0.929 0.000 1.224 461 D CA 0.246 53.864 54.000 -0.637 0.000 0.999 461 D CB 0.381 40.974 40.800 -0.344 0.000 1.072 461 D HN 0.520 nan 8.370 nan 0.000 0.514 462 S N 3.288 118.502 115.700 -0.811 0.000 4.051 462 S HA 0.021 4.485 4.470 -0.009 0.000 0.215 462 S C 0.407 174.910 174.600 -0.161 0.000 1.289 462 S CA 0.047 57.942 58.200 -0.509 0.000 0.907 462 S CB -0.385 62.753 63.200 -0.104 0.000 1.603 462 S HN 0.720 nan 8.310 nan 0.000 0.453 463 H N 0.293 119.187 119.070 -0.292 0.000 1.797 463 H HA 0.096 4.647 4.556 -0.009 0.000 0.115 463 H C 1.263 176.499 175.328 -0.154 0.000 1.072 463 H CA 0.812 56.759 56.048 -0.168 0.000 0.424 463 H CB -0.474 29.199 29.762 -0.148 0.000 0.319 463 H HN 0.355 nan 8.280 nan 0.000 0.211 464 S N 0.724 116.280 115.700 -0.239 0.000 2.548 464 S HA 0.109 4.573 4.470 -0.009 0.000 0.215 464 S C 0.165 174.639 174.600 -0.209 0.000 0.976 464 S CA 0.418 58.482 58.200 -0.227 0.000 0.908 464 S CB -0.046 63.084 63.200 -0.116 0.000 0.781 464 S HN 0.561 nan 8.310 nan 0.000 0.519 465 N N 3.043 121.554 118.700 -0.314 0.000 2.669 465 N HA -0.144 4.590 4.740 -0.009 0.000 0.266 465 N C -1.022 174.453 175.510 -0.058 0.000 1.024 465 N CA 1.377 54.277 53.050 -0.250 0.000 0.766 465 N CB -1.101 37.389 38.487 0.006 0.000 0.898 465 N HN 0.744 nan 8.380 nan 0.000 0.548 466 D N -2.200 118.045 120.400 -0.257 0.000 2.825 466 D HA 0.591 5.225 4.640 -0.009 0.000 0.327 466 D C -1.133 175.067 176.300 -0.166 0.000 1.277 466 D CA -0.706 53.293 54.000 -0.001 0.000 0.950 466 D CB 0.100 40.931 40.800 0.051 0.000 1.438 466 D HN 0.080 nan 8.370 nan 0.000 0.526 467 W N 0.237 121.603 121.300 0.110 0.000 2.532 467 W HA 0.652 5.306 4.660 -0.010 0.000 0.321 467 W C 0.372 176.922 176.519 0.052 0.000 1.037 467 W CA -0.554 56.845 57.345 0.089 0.000 1.220 467 W CB 1.635 31.138 29.460 0.071 0.000 1.361 467 W HN 0.521 nan 8.180 nan 0.000 0.468 468 R N 2.018 122.636 120.500 0.196 0.000 2.795 468 R HA 1.003 5.337 4.340 -0.009 0.000 0.268 468 R C -0.633 175.749 176.300 0.137 0.000 1.041 468 R CA -1.409 54.775 56.100 0.139 0.000 0.927 468 R CB 1.777 32.121 30.300 0.073 0.000 1.235 468 R HN 0.598 nan 8.270 nan 0.000 0.463 469 G N 0.195 109.061 108.800 0.109 0.000 2.655 469 G HA2 0.237 4.192 3.960 -0.009 0.000 0.296 469 G HA3 0.237 4.192 3.960 -0.009 0.000 0.296 469 G C -2.009 172.940 174.900 0.080 0.000 1.485 469 G CA -0.946 44.222 45.100 0.113 0.000 0.869 469 G HN 0.547 nan 8.290 nan 0.000 0.540 470 N N 0.701 119.447 118.700 0.077 0.000 2.469 470 N HA 0.480 5.214 4.740 -0.009 0.000 0.239 470 N C -0.289 175.239 175.510 0.031 0.000 1.053 470 N CA -0.183 52.897 53.050 0.050 0.000 0.937 470 N CB 1.176 39.685 38.487 0.036 0.000 1.163 470 N HN 0.294 nan 8.380 nan 0.000 0.509 471 V N 3.471 123.394 119.914 0.014 0.000 2.435 471 V HA 0.333 4.448 4.120 -0.009 0.000 0.290 471 V C 0.058 176.121 176.094 -0.053 0.000 1.030 471 V CA -0.969 61.316 62.300 -0.025 0.000 0.881 471 V CB 1.666 33.456 31.823 -0.056 0.000 0.983 471 V HN 0.276 nan 8.190 nan 0.000 0.445 472 V N 6.774 126.644 119.914 -0.074 0.000 2.408 472 V HA 0.396 4.510 4.120 -0.009 0.000 0.267 472 V C 0.038 176.031 176.094 -0.169 0.000 1.047 472 V CA -0.016 62.220 62.300 -0.106 0.000 0.937 472 V CB 0.649 32.420 31.823 -0.088 0.000 0.999 472 V HN 0.600 nan 8.190 nan 0.000 0.472 473 L N 6.803 127.906 121.223 -0.201 0.000 2.301 473 L HA 0.622 4.957 4.340 -0.009 0.000 0.264 473 L C -2.442 174.249 176.870 -0.298 0.000 1.016 473 L CA -2.171 52.511 54.840 -0.263 0.000 0.821 473 L CB 2.980 44.884 42.059 -0.258 0.000 1.346 473 L HN 0.364 nan 8.230 nan 0.000 0.429 474 P HA 0.136 nan 4.420 nan 0.000 0.276 474 P C -0.909 176.228 177.300 -0.272 0.000 1.235 474 P CA -0.237 62.665 63.100 -0.331 0.000 0.772 474 P CB 1.265 32.739 31.700 -0.377 0.000 0.871 475 A N 3.652 126.335 122.820 -0.229 0.000 2.440 475 A HA 0.145 4.460 4.320 -0.009 0.000 0.251 475 A C 0.776 178.250 177.584 -0.182 0.000 1.089 475 A CA -0.198 51.712 52.037 -0.211 0.000 0.779 475 A CB -0.679 18.222 19.000 -0.165 0.000 1.022 475 A HN 0.702 nan 8.150 nan 0.000 0.492 476 E N -0.381 119.706 120.200 -0.189 0.000 2.637 476 E HA -0.177 4.168 4.350 -0.009 0.000 0.265 476 E C -0.446 176.083 176.600 -0.118 0.000 1.073 476 E CA 0.600 56.916 56.400 -0.139 0.000 0.778 476 E CB -0.981 28.660 29.700 -0.099 0.000 1.362 476 E HN 0.592 nan 8.360 nan 0.000 0.413 477 R N 0.733 121.148 120.500 -0.142 0.000 2.637 477 R HA 0.368 4.702 4.340 -0.009 0.000 0.291 477 R C -0.030 176.225 176.300 -0.076 0.000 0.963 477 R CA -0.960 55.074 56.100 -0.110 0.000 0.901 477 R CB 0.835 31.049 30.300 -0.144 0.000 1.160 477 R HN -0.003 nan 8.270 nan 0.000 0.457 478 N N 2.839 121.524 118.700 -0.025 0.000 2.488 478 N HA 0.289 5.024 4.740 -0.009 0.000 0.274 478 N C 0.176 175.711 175.510 0.041 0.000 1.111 478 N CA -0.073 52.996 53.050 0.033 0.000 0.974 478 N CB 0.993 39.509 38.487 0.048 0.000 1.089 478 N HN 0.486 nan 8.380 nan 0.000 0.465 479 I N -2.013 118.620 120.570 0.105 0.000 2.785 479 I HA 0.596 4.761 4.170 -0.009 0.000 0.302 479 I C -0.534 175.710 176.117 0.212 0.000 1.069 479 I CA -0.884 60.481 61.300 0.110 0.000 1.045 479 I CB 2.381 40.423 38.000 0.070 0.000 1.236 479 I HN 0.187 nan 8.210 nan 0.000 0.429 480 E N 4.252 124.562 120.200 0.183 0.000 2.234 480 E HA 0.664 5.009 4.350 -0.009 0.000 0.266 480 E C -1.570 175.159 176.600 0.214 0.000 0.877 480 E CA -0.604 55.932 56.400 0.226 0.000 0.758 480 E CB 2.599 32.457 29.700 0.263 0.000 1.170 480 E HN 0.620 nan 8.360 nan 0.000 0.415 481 F N -0.389 119.566 119.950 0.008 0.000 2.711 481 F HA 0.710 5.235 4.527 -0.004 0.000 0.313 481 F C -1.293 174.614 175.800 0.178 0.000 1.141 481 F CA -1.074 56.902 58.000 -0.041 0.000 0.941 481 F CB 1.768 40.704 39.000 -0.107 0.000 1.349 481 F HN 0.101 nan 8.300 nan 0.000 0.464 482 K N 0.903 121.530 120.400 0.378 0.000 2.551 482 K HA 0.764 5.079 4.320 -0.009 0.000 0.269 482 K C -1.558 175.311 176.600 0.447 0.000 0.949 482 K CA -1.067 55.425 56.287 0.342 0.000 0.849 482 K CB 2.690 35.548 32.500 0.598 0.000 1.411 482 K HN 0.990 nan 8.250 nan 0.000 0.432 483 A N 1.916 124.874 122.820 0.231 0.000 2.306 483 A HA 0.881 5.196 4.320 -0.009 0.000 0.330 483 A C -1.013 176.637 177.584 0.110 0.000 1.146 483 A CA -0.459 51.672 52.037 0.156 0.000 0.827 483 A CB 0.152 19.255 19.000 0.172 0.000 1.178 483 A HN 0.604 nan 8.150 nan 0.000 0.490 484 F N -0.911 119.021 119.950 -0.029 0.000 2.668 484 F HA 0.778 5.300 4.527 -0.008 0.000 0.309 484 F C -1.230 174.561 175.800 -0.016 0.000 1.117 484 F CA -1.246 56.652 58.000 -0.171 0.000 0.951 484 F CB 0.930 39.258 39.000 -1.121 0.000 1.323 484 F HN 0.407 nan 8.300 nan 0.000 0.451 485 I N 2.113 122.752 120.570 0.115 0.000 2.498 485 I HA 0.463 4.627 4.170 -0.009 0.000 0.301 485 I C -0.474 175.657 176.117 0.023 0.000 0.984 485 I CA -0.912 60.328 61.300 -0.099 0.000 1.204 485 I CB 2.011 39.891 38.000 -0.200 0.000 1.362 485 I HN 0.561 nan 8.210 nan 0.000 0.471 486 K N 3.258 123.655 120.400 -0.006 0.000 2.324 486 K HA 0.447 4.762 4.320 -0.009 0.000 0.253 486 K C -0.445 176.159 176.600 0.007 0.000 0.932 486 K CA -0.563 55.750 56.287 0.043 0.000 0.799 486 K CB 2.311 34.864 32.500 0.089 0.000 1.154 486 K HN 0.794 nan 8.250 nan 0.000 0.425 487 S N 0.711 116.415 115.700 0.007 0.000 2.652 487 S HA 0.117 4.582 4.470 -0.009 0.000 0.267 487 S C 0.847 175.456 174.600 0.015 0.000 1.201 487 S CA -0.474 57.726 58.200 0.000 0.000 0.996 487 S CB 0.781 63.981 63.200 -0.000 0.000 1.054 487 S HN 0.726 nan 8.310 nan 0.000 0.561 488 K N -0.640 119.768 120.400 0.014 0.000 2.551 488 K HA 0.105 4.419 4.320 -0.009 0.000 0.192 488 K C -0.223 176.390 176.600 0.022 0.000 1.027 488 K CA 0.773 57.073 56.287 0.023 0.000 1.059 488 K CB -0.272 32.240 32.500 0.019 0.000 0.831 488 K HN 0.529 nan 8.250 nan 0.000 0.508 489 D N 0.580 120.990 120.400 0.016 0.000 2.501 489 D HA 0.092 4.727 4.640 -0.009 0.000 0.224 489 D C 0.450 176.756 176.300 0.010 0.000 1.202 489 D CA 0.359 54.367 54.000 0.013 0.000 0.829 489 D CB 0.990 41.796 40.800 0.010 0.000 1.023 489 D HN 0.448 nan 8.370 nan 0.000 0.499 490 G N 1.904 110.711 108.800 0.013 0.000 2.153 490 G HA2 -0.270 3.684 3.960 -0.009 0.000 0.252 490 G HA3 -0.270 3.684 3.960 -0.009 0.000 0.252 490 G C 0.425 175.320 174.900 -0.010 0.000 0.994 490 G CA 0.477 45.577 45.100 -0.000 0.000 0.698 490 G HN 0.275 nan 8.290 nan 0.000 0.521 491 T N 0.549 115.102 114.554 -0.000 0.000 2.771 491 T HA 0.468 4.812 4.350 -0.009 0.000 0.291 491 T C 0.651 175.353 174.700 0.003 0.000 0.954 491 T CA -0.457 61.643 62.100 -0.001 0.000 1.045 491 T CB 2.381 71.252 68.868 0.005 0.000 0.917 491 T HN 0.372 nan 8.240 nan 0.000 0.484 492 V N 5.543 125.452 119.914 -0.009 0.000 2.390 492 V HA 0.026 4.140 4.120 -0.009 0.000 0.260 492 V C 1.601 177.706 176.094 0.018 0.000 1.043 492 V CA 0.279 62.571 62.300 -0.014 0.000 1.047 492 V CB -0.192 31.567 31.823 -0.106 0.000 1.066 492 V HN 0.836 nan 8.190 nan 0.000 0.481 493 K N 2.797 123.216 120.400 0.032 0.000 1.984 493 K HA -0.010 4.304 4.320 -0.009 0.000 0.209 493 K C 0.681 177.339 176.600 0.096 0.000 1.046 493 K CA 1.501 57.815 56.287 0.045 0.000 0.934 493 K CB 0.097 32.606 32.500 0.015 0.000 0.717 493 K HN 0.808 nan 8.250 nan 0.000 0.438 494 S N -1.813 113.968 115.700 0.134 0.000 2.587 494 S HA 0.386 4.851 4.470 -0.009 0.000 0.269 494 S C -1.692 173.080 174.600 0.287 0.000 1.154 494 S CA -1.191 57.165 58.200 0.260 0.000 0.824 494 S CB 0.720 64.118 63.200 0.330 0.000 1.118 494 S HN 0.228 nan 8.310 nan 0.000 0.462 495 W N 1.090 122.511 121.300 0.203 0.000 2.576 495 W HA 0.633 5.287 4.660 -0.010 0.000 0.360 495 W C 0.488 176.696 176.519 -0.518 0.000 1.109 495 W CA -0.541 56.802 57.345 -0.003 0.000 1.237 495 W CB 0.964 30.392 29.460 -0.053 0.000 1.369 495 W HN 0.897 nan 8.180 nan 0.000 0.609 496 Q N 0.604 119.993 119.800 -0.684 0.000 2.364 496 Q HA 0.014 4.349 4.340 -0.009 0.000 0.267 496 Q C 1.412 177.087 176.000 -0.541 0.000 0.999 496 Q CA 0.900 55.952 55.803 -1.252 0.000 0.886 496 Q CB 1.276 29.569 28.738 -0.741 0.000 1.243 496 Q HN 0.711 nan 8.270 nan 0.000 0.415 497 T N 1.962 116.213 114.554 -0.505 0.000 2.708 497 T HA -0.130 4.215 4.350 -0.009 0.000 0.266 497 T C 0.800 175.399 174.700 -0.168 0.000 1.037 497 T CA 0.842 62.809 62.100 -0.222 0.000 1.146 497 T CB -0.002 68.788 68.868 -0.131 0.000 0.865 497 T HN 0.494 nan 8.240 nan 0.000 0.435 498 I N 1.123 121.588 120.570 -0.176 0.000 2.441 498 I HA 0.387 4.551 4.170 -0.009 0.000 0.295 498 I C -0.293 175.732 176.117 -0.152 0.000 0.994 498 I CA -1.580 59.638 61.300 -0.136 0.000 1.144 498 I CB 1.817 39.755 38.000 -0.103 0.000 1.314 498 I HN 0.253 nan 8.210 nan 0.000 0.445 499 Q N 5.658 125.380 119.800 -0.130 0.000 2.296 499 Q HA 0.202 4.537 4.340 -0.009 0.000 0.262 499 Q C -0.813 175.072 176.000 -0.191 0.000 0.981 499 Q CA -0.513 55.216 55.803 -0.123 0.000 0.905 499 Q CB 0.724 29.425 28.738 -0.062 0.000 1.186 499 Q HN 0.560 nan 8.270 nan 0.000 0.399 500 Q N 1.225 120.782 119.800 -0.405 0.000 2.249 500 Q HA 0.477 4.812 4.340 -0.009 0.000 0.226 500 Q C -0.587 175.122 176.000 -0.485 0.000 0.983 500 Q CA -0.196 55.236 55.803 -0.620 0.000 0.930 500 Q CB 1.844 29.751 28.738 -1.386 0.000 1.193 500 Q HN 0.837 nan 8.270 nan 0.000 0.508 501 S N -1.282 114.294 115.700 -0.208 0.000 2.587 501 S HA 0.620 5.085 4.470 -0.009 0.000 0.269 501 S C -1.923 172.894 174.600 0.361 0.000 1.154 501 S CA -0.951 57.337 58.200 0.147 0.000 0.824 501 S CB 1.303 64.579 63.200 0.127 0.000 1.118 501 S HN 0.567 nan 8.310 nan 0.000 0.462 502 W N 2.283 123.715 121.300 0.220 0.000 2.740 502 W HA 0.484 5.138 4.660 -0.009 0.000 0.316 502 W C -1.703 174.879 176.519 0.105 0.000 1.020 502 W CA -1.020 56.445 57.345 0.200 0.000 1.278 502 W CB 1.326 30.879 29.460 0.155 0.000 1.224 502 W HN 0.782 nan 8.180 nan 0.000 0.393 503 N N 6.394 125.316 118.700 0.371 0.000 2.707 503 N HA 0.341 5.075 4.740 -0.009 0.000 0.235 503 N C -2.242 173.352 175.510 0.140 0.000 1.028 503 N CA -0.737 52.428 53.050 0.191 0.000 0.906 503 N CB 1.679 40.253 38.487 0.145 0.000 1.131 503 N HN 0.163 nan 8.380 nan 0.000 0.509 504 P HA 0.311 nan 4.420 nan 0.000 0.307 504 P C -0.315 176.868 177.300 -0.194 0.000 1.307 504 P CA -0.620 62.468 63.100 -0.020 0.000 0.814 504 P CB 1.105 32.767 31.700 -0.064 0.000 1.311 505 V N -1.168 118.527 119.914 -0.367 0.000 2.572 505 V HA 0.265 4.380 4.120 -0.009 0.000 0.291 505 V C -2.512 173.176 176.094 -0.677 0.000 1.039 505 V CA -1.638 60.118 62.300 -0.907 0.000 1.055 505 V CB -0.509 30.870 31.823 -0.739 0.000 0.969 505 V HN 0.379 nan 8.190 nan 0.000 0.482 506 P HA 0.053 nan 4.420 nan 0.000 0.267 506 P C 0.420 177.547 177.300 -0.290 0.000 1.200 506 P CA -0.128 62.751 63.100 -0.370 0.000 0.772 506 P CB 0.614 32.160 31.700 -0.257 0.000 0.855 507 L N 2.215 123.334 121.223 -0.174 0.000 2.291 507 L HA 0.028 4.363 4.340 -0.009 0.000 0.214 507 L C 0.470 177.275 176.870 -0.108 0.000 1.120 507 L CA 1.825 56.584 54.840 -0.134 0.000 0.799 507 L CB -0.454 41.551 42.059 -0.088 0.000 0.925 507 L HN 0.158 nan 8.230 nan 0.000 0.446 508 K N 0.397 120.743 120.400 -0.091 0.000 2.138 508 K HA 0.323 4.638 4.320 -0.009 0.000 0.263 508 K C -0.270 176.298 176.600 -0.052 0.000 0.965 508 K CA -0.443 55.810 56.287 -0.055 0.000 0.868 508 K CB 0.911 33.396 32.500 -0.025 0.000 1.083 508 K HN -0.133 nan 8.250 nan 0.000 0.443 509 T N 2.954 117.489 114.554 -0.032 0.000 2.792 509 T HA 0.082 4.427 4.350 -0.009 0.000 0.286 509 T C 0.576 175.304 174.700 0.046 0.000 0.970 509 T CA 0.465 62.563 62.100 -0.004 0.000 1.187 509 T CB -0.087 68.781 68.868 0.001 0.000 0.915 509 T HN 0.607 nan 8.240 nan 0.000 0.529 510 T N 1.091 115.710 114.554 0.108 0.000 2.511 510 T HA 0.725 5.070 4.350 -0.009 0.000 0.209 510 T C -0.299 174.554 174.700 0.254 0.000 0.805 510 T CA -0.828 61.382 62.100 0.184 0.000 1.241 510 T CB 1.148 70.172 68.868 0.261 0.000 1.785 510 T HN 0.398 nan 8.240 nan 0.000 0.492 511 S N 0.031 115.924 115.700 0.321 0.000 2.537 511 S HA 0.455 4.919 4.470 -0.009 0.000 0.271 511 S C -1.971 172.662 174.600 0.054 0.000 1.148 511 S CA -0.720 57.615 58.200 0.225 0.000 0.868 511 S CB 1.399 64.663 63.200 0.107 0.000 1.115 511 S HN 0.768 nan 8.310 nan 0.000 0.461 512 H N 2.274 121.189 119.070 -0.259 0.000 2.725 512 H HA 0.433 4.982 4.556 -0.012 0.000 0.283 512 H C -1.082 174.127 175.328 -0.197 0.000 1.110 512 H CA -0.043 55.678 56.048 -0.546 0.000 1.289 512 H CB 0.422 29.493 29.762 -1.152 0.000 1.400 512 H HN 0.508 nan 8.280 nan 0.000 0.493 513 T N 3.744 118.177 114.554 -0.202 0.000 2.799 513 T HA 0.398 4.743 4.350 -0.009 0.000 0.286 513 T C -0.151 174.504 174.700 -0.075 0.000 0.973 513 T CA -0.556 61.512 62.100 -0.053 0.000 1.035 513 T CB 0.919 69.759 68.868 -0.046 0.000 0.932 513 T HN 0.659 nan 8.240 nan 0.000 0.469 514 S N 1.725 117.462 115.700 0.061 0.000 2.579 514 S HA 0.724 5.189 4.470 -0.009 0.000 0.272 514 S C -0.793 173.866 174.600 0.098 0.000 1.141 514 S CA -0.995 57.238 58.200 0.055 0.000 0.843 514 S CB 1.689 64.949 63.200 0.100 0.000 1.122 514 S HN 0.453 nan 8.310 nan 0.000 0.468 515 S N 1.766 117.513 115.700 0.078 0.000 2.525 515 S HA 0.448 4.912 4.470 -0.009 0.000 0.290 515 S C -0.200 174.494 174.600 0.157 0.000 1.152 515 S CA -0.777 57.501 58.200 0.130 0.000 1.072 515 S CB 0.510 63.767 63.200 0.094 0.000 1.027 515 S HN 0.683 nan 8.310 nan 0.000 0.500 516 W N 0.000 121.327 121.300 0.045 0.000 2.388 516 W HA 0.000 4.653 4.660 -0.011 0.000 0.303 516 W CA 0.000 57.368 57.345 0.039 0.000 1.226 516 W CB 0.000 29.480 29.460 0.033 0.000 1.126 516 W HN 0.000 nan 8.180 nan 0.000 0.535