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 1j11_1_D 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 0.000 177.596 177.584 0.020 0.000 1.274 1 A CA 0.000 51.991 52.037 -0.076 0.000 0.836 1 A CB 0.000 18.949 19.000 -0.085 0.000 0.831 2 V N 1.179 121.050 119.914 -0.070 0.000 2.872 2 V HA 0.203 4.324 4.120 0.001 0.000 0.307 2 V C 1.003 177.115 176.094 0.030 0.000 1.072 2 V CA 1.331 63.636 62.300 0.008 0.000 1.148 2 V CB 0.217 31.953 31.823 -0.145 0.000 0.954 2 V HN 1.172 nan 8.190 nan 0.000 0.490 3 N N 1.663 120.403 118.700 0.066 0.000 2.850 3 N HA -0.176 4.565 4.740 0.001 0.000 0.249 3 N C 0.887 176.459 175.510 0.104 0.000 1.060 3 N CA 0.886 53.981 53.050 0.075 0.000 0.825 3 N CB -1.294 37.223 38.487 0.051 0.000 1.132 3 N HN 1.512 nan 8.380 nan 0.000 0.564 4 G N -0.267 108.617 108.800 0.140 0.000 2.155 4 G HA2 -0.410 3.551 3.960 0.001 0.000 0.257 4 G HA3 -0.410 3.551 3.960 0.001 0.000 0.257 4 G C 0.210 175.171 174.900 0.102 0.000 0.983 4 G CA 1.246 46.446 45.100 0.168 0.000 0.676 4 G HN 0.817 nan 8.290 nan 0.000 0.528 5 K N -0.625 119.819 120.400 0.073 0.000 2.502 5 K HA 0.844 5.164 4.320 0.001 0.000 0.252 5 K C 0.862 177.474 176.600 0.020 0.000 1.043 5 K CA -0.413 55.900 56.287 0.044 0.000 0.999 5 K CB 1.102 33.619 32.500 0.029 0.000 1.343 5 K HN 0.543 nan 8.250 nan 0.000 0.513 6 G N -0.188 108.611 108.800 -0.003 0.000 3.262 6 G HA2 0.389 4.350 3.960 0.001 0.000 0.229 6 G HA3 0.389 4.350 3.960 0.001 0.000 0.229 6 G C -0.444 174.436 174.900 -0.033 0.000 1.280 6 G CA -1.178 43.902 45.100 -0.032 0.000 0.951 6 G HN 0.770 nan 8.290 nan 0.000 0.589 7 M N 0.194 119.755 119.600 -0.064 0.000 2.245 7 M HA 0.326 4.807 4.480 0.001 0.000 0.330 7 M C -0.018 176.288 176.300 0.011 0.000 1.098 7 M CA -0.491 54.791 55.300 -0.030 0.000 1.172 7 M CB 0.461 32.949 32.600 -0.187 0.000 1.467 7 M HN 0.366 nan 8.290 nan 0.000 0.454 8 N N 3.587 122.341 118.700 0.090 0.000 2.452 8 N HA 0.127 4.868 4.740 0.001 0.000 0.266 8 N C -1.776 173.792 175.510 0.097 0.000 1.209 8 N CA -1.479 51.634 53.050 0.104 0.000 0.929 8 N CB 0.763 39.352 38.487 0.170 0.000 1.063 8 N HN 0.517 nan 8.380 nan 0.000 0.472 9 P HA -0.058 nan 4.420 nan 0.000 0.228 9 P C -0.196 177.123 177.300 0.031 0.000 1.151 9 P CA 0.985 64.098 63.100 0.022 0.000 0.770 9 P CB 0.489 32.188 31.700 -0.001 0.000 0.786 10 D N -1.776 118.654 120.400 0.051 0.000 2.369 10 D HA -0.003 4.638 4.640 0.001 0.000 0.211 10 D C 0.515 176.825 176.300 0.017 0.000 1.077 10 D CA -0.429 53.579 54.000 0.014 0.000 0.842 10 D CB -0.507 40.299 40.800 0.010 0.000 0.947 10 D HN 0.203 nan 8.370 nan 0.000 0.509 11 Y N 2.685 122.980 120.300 -0.008 0.000 2.810 11 Y HA -0.041 4.509 4.550 0.001 0.000 0.332 11 Y C 0.046 175.906 175.900 -0.066 0.000 1.243 11 Y CA 0.310 58.420 58.100 0.017 0.000 1.537 11 Y CB 0.289 38.815 38.460 0.110 0.000 1.265 11 Y HN -0.351 nan 8.280 nan 0.000 0.572 12 K N 4.750 124.540 120.400 -1.017 0.000 2.477 12 K HA 0.753 5.074 4.320 0.001 0.000 0.255 12 K C -1.378 174.453 176.600 -1.281 0.000 0.952 12 K CA -0.761 54.953 56.287 -0.954 0.000 0.826 12 K CB 2.028 34.135 32.500 -0.655 0.000 1.331 12 K HN 0.640 nan 8.250 nan 0.000 0.437 13 A N 2.272 124.627 122.820 -0.775 0.000 2.330 13 A HA 0.777 5.098 4.320 0.001 0.000 0.327 13 A C -1.351 176.149 177.584 -0.140 0.000 1.155 13 A CA -0.544 51.269 52.037 -0.372 0.000 0.803 13 A CB 0.482 19.487 19.000 0.009 0.000 1.208 13 A HN 0.612 nan 8.150 nan 0.000 0.477 14 Y N 0.701 121.194 120.300 0.321 0.000 2.562 14 Y HA 0.665 5.216 4.550 0.001 0.000 0.343 14 Y C -0.348 175.657 175.900 0.175 0.000 1.025 14 Y CA -1.217 57.043 58.100 0.267 0.000 1.082 14 Y CB 2.067 40.595 38.460 0.114 0.000 1.264 14 Y HN 0.600 nan 8.280 nan 0.000 0.478 15 L N 2.487 123.740 121.223 0.050 0.000 2.362 15 L HA 0.533 4.874 4.340 0.001 0.000 0.275 15 L C -1.038 175.763 176.870 -0.116 0.000 0.998 15 L CA -0.859 53.783 54.840 -0.329 0.000 0.820 15 L CB 1.582 43.039 42.059 -1.003 0.000 1.270 15 L HN 0.651 nan 8.230 nan 0.000 0.415 16 M N 4.253 123.797 119.600 -0.093 0.000 2.185 16 M HA 0.438 4.919 4.480 0.001 0.000 0.357 16 M C 0.449 176.760 176.300 0.018 0.000 1.260 16 M CA -0.201 55.067 55.300 -0.053 0.000 1.124 16 M CB 1.210 33.773 32.600 -0.062 0.000 1.600 16 M HN 0.848 nan 8.290 nan 0.000 0.467 17 A N 5.872 128.693 122.820 0.001 0.000 2.313 17 A HA 0.590 4.911 4.320 0.001 0.000 0.261 17 A C -2.459 175.093 177.584 -0.053 0.000 1.090 17 A CA -1.285 50.748 52.037 -0.006 0.000 0.807 17 A CB -0.427 18.591 19.000 0.030 0.000 1.055 17 A HN 0.461 nan 8.150 nan 0.000 0.492 18 P HA 0.047 nan 4.420 nan 0.000 0.271 18 P C 0.694 178.007 177.300 0.021 0.000 1.233 18 P CA -0.407 62.666 63.100 -0.046 0.000 0.789 18 P CB 0.331 31.965 31.700 -0.109 0.000 0.951 19 L N -0.788 120.485 121.223 0.082 0.000 2.131 19 L HA 0.025 4.365 4.340 0.001 0.000 0.206 19 L C 1.094 178.091 176.870 0.213 0.000 1.087 19 L CA 1.811 56.774 54.840 0.206 0.000 0.767 19 L CB -1.165 41.001 42.059 0.179 0.000 0.917 19 L HN 0.357 nan 8.230 nan 0.000 0.441 20 K N 1.132 121.574 120.400 0.069 0.000 2.107 20 K HA 0.180 4.501 4.320 0.001 0.000 0.251 20 K C 0.184 176.770 176.600 -0.023 0.000 1.012 20 K CA -0.442 55.849 56.287 0.007 0.000 0.920 20 K CB 0.726 33.203 32.500 -0.039 0.000 1.033 20 K HN 0.016 nan 8.250 nan 0.000 0.478 21 K N 1.409 121.741 120.400 -0.113 0.000 2.382 21 K HA 0.035 4.356 4.320 0.001 0.000 0.275 21 K C 1.567 178.067 176.600 -0.167 0.000 1.009 21 K CA -0.429 55.726 56.287 -0.221 0.000 0.970 21 K CB 0.378 32.572 32.500 -0.511 0.000 0.934 21 K HN 0.304 nan 8.250 nan 0.000 0.479 22 I N 3.701 124.179 120.570 -0.155 0.000 2.145 22 I HA -0.211 3.960 4.170 0.001 0.000 0.244 22 I C -0.827 174.982 176.117 -0.514 0.000 1.075 22 I CA 1.587 62.591 61.300 -0.493 0.000 1.332 22 I CB -1.913 35.414 38.000 -1.121 0.000 1.033 22 I HN 0.545 nan 8.210 nan 0.000 0.410 23 P HA -0.123 nan 4.420 nan 0.000 0.228 23 P C 1.357 178.538 177.300 -0.197 0.000 1.151 23 P CA 1.189 64.070 63.100 -0.366 0.000 0.770 23 P CB -0.015 31.561 31.700 -0.205 0.000 0.786 24 E N -0.873 119.222 120.200 -0.174 0.000 2.140 24 E HA -0.049 4.302 4.350 0.001 0.000 0.191 24 E C 1.718 178.265 176.600 -0.089 0.000 0.973 24 E CA 1.085 57.418 56.400 -0.112 0.000 0.829 24 E CB -0.149 29.490 29.700 -0.102 0.000 0.781 24 E HN 0.208 nan 8.360 nan 0.000 0.466 25 V N -2.383 117.472 119.914 -0.099 0.000 3.471 25 V HA 0.195 4.316 4.120 0.001 0.000 0.258 25 V C 0.897 176.980 176.094 -0.018 0.000 1.192 25 V CA 0.857 63.133 62.300 -0.041 0.000 1.116 25 V CB 0.684 32.500 31.823 -0.012 0.000 0.792 25 V HN 0.130 nan 8.190 nan 0.000 0.459 26 T N 0.565 115.075 114.554 -0.072 0.000 2.641 26 T HA 0.370 4.721 4.350 0.001 0.000 0.268 26 T C -1.808 172.819 174.700 -0.121 0.000 1.567 26 T CA 0.111 62.189 62.100 -0.037 0.000 1.026 26 T CB 0.670 69.584 68.868 0.077 0.000 2.004 26 T HN 0.796 nan 8.240 nan 0.000 0.423 27 N N -1.018 117.627 118.700 -0.093 0.000 2.416 27 N HA 0.412 5.152 4.740 0.001 0.000 0.276 27 N C 0.115 175.580 175.510 -0.075 0.000 1.261 27 N CA -0.884 52.077 53.050 -0.148 0.000 0.790 27 N CB 0.236 38.712 38.487 -0.018 0.000 1.554 27 N HN 0.744 nan 8.380 nan 0.000 0.481 28 W N -0.060 121.290 121.300 0.082 0.000 2.325 28 W HA -0.116 4.545 4.660 0.001 0.000 0.299 28 W C 1.370 177.984 176.519 0.158 0.000 1.215 28 W CA 0.990 58.403 57.345 0.114 0.000 1.244 28 W CB -0.064 29.433 29.460 0.061 0.000 1.140 28 W HN 0.651 nan 8.180 nan 0.000 0.523 29 E N -0.672 119.713 120.200 0.309 0.000 2.106 29 E HA -0.138 4.213 4.350 0.001 0.000 0.192 29 E C 2.044 178.749 176.600 0.174 0.000 0.984 29 E CA 1.978 58.502 56.400 0.206 0.000 0.806 29 E CB -0.907 28.879 29.700 0.143 0.000 0.750 29 E HN 0.088 nan 8.360 nan 0.000 0.458 30 T N 0.667 115.326 114.554 0.174 0.000 2.770 30 T HA -0.086 4.265 4.350 0.001 0.000 0.263 30 T C 1.481 176.314 174.700 0.222 0.000 1.039 30 T CA 0.874 63.070 62.100 0.161 0.000 1.142 30 T CB -0.450 68.506 68.868 0.146 0.000 0.868 30 T HN 0.155 nan 8.240 nan 0.000 0.435 31 F N 2.379 122.392 119.950 0.105 0.000 2.115 31 F HA -0.175 4.353 4.527 0.001 0.000 0.300 31 F C 2.160 178.034 175.800 0.123 0.000 1.092 31 F CA 1.542 59.615 58.000 0.122 0.000 1.245 31 F CB -0.376 38.646 39.000 0.037 0.000 0.995 31 F HN 0.210 nan 8.300 nan 0.000 0.481 32 E N -0.272 119.963 120.200 0.058 0.000 2.110 32 E HA -0.216 4.135 4.350 0.001 0.000 0.193 32 E C 1.942 178.509 176.600 -0.054 0.000 0.988 32 E CA 1.099 57.455 56.400 -0.073 0.000 0.804 32 E CB -0.264 29.468 29.700 0.052 0.000 0.745 32 E HN 0.418 nan 8.360 nan 0.000 0.458 33 N N 1.079 119.792 118.700 0.021 0.000 2.142 33 N HA -0.136 4.604 4.740 0.001 0.000 0.186 33 N C 1.335 176.874 175.510 0.048 0.000 1.023 33 N CA 1.081 54.151 53.050 0.034 0.000 0.852 33 N CB -0.283 38.227 38.487 0.039 0.000 0.998 33 N HN 0.121 nan 8.380 nan 0.000 0.424 34 D N 0.831 121.257 120.400 0.043 0.000 2.104 34 D HA -0.099 4.542 4.640 0.001 0.000 0.194 34 D C 2.133 178.430 176.300 -0.005 0.000 0.994 34 D CA 0.566 54.603 54.000 0.062 0.000 0.830 34 D CB -0.356 40.512 40.800 0.113 0.000 0.959 34 D HN 0.234 nan 8.370 nan 0.000 0.452 35 L N 0.250 121.371 121.223 -0.170 0.000 2.046 35 L HA -0.132 4.208 4.340 0.001 0.000 0.208 35 L C 2.555 179.388 176.870 -0.061 0.000 1.077 35 L CA 1.101 55.820 54.840 -0.201 0.000 0.747 35 L CB -0.289 41.539 42.059 -0.386 0.000 0.896 35 L HN -0.008 nan 8.230 nan 0.000 0.432 36 R N -0.840 119.656 120.500 -0.007 0.000 2.096 36 R HA -0.213 4.128 4.340 0.001 0.000 0.235 36 R C 2.181 178.575 176.300 0.156 0.000 1.127 36 R CA 1.760 57.894 56.100 0.057 0.000 0.968 36 R CB -0.432 29.905 30.300 0.062 0.000 0.861 36 R HN 0.562 nan 8.270 nan 0.000 0.440 37 W N 1.315 122.594 121.300 -0.036 0.000 2.379 37 W HA -0.174 4.486 4.660 0.001 0.000 0.307 37 W C 1.965 178.497 176.519 0.021 0.000 1.200 37 W CA 1.124 58.462 57.345 -0.012 0.000 1.297 37 W CB -0.100 29.341 29.460 -0.031 0.000 1.140 37 W HN 0.137 nan 8.180 nan 0.000 0.507 38 A N 1.006 123.809 122.820 -0.028 0.000 1.908 38 A HA -0.293 4.027 4.320 0.001 0.000 0.218 38 A C 1.992 179.616 177.584 0.067 0.000 1.181 38 A CA 2.232 54.239 52.037 -0.050 0.000 0.627 38 A CB -1.081 17.843 19.000 -0.126 0.000 0.818 38 A HN 0.396 nan 8.150 nan 0.000 0.445 39 K N -0.891 119.530 120.400 0.035 0.000 2.057 39 K HA -0.184 4.136 4.320 0.001 0.000 0.207 39 K C 2.171 178.768 176.600 -0.006 0.000 1.049 39 K CA 1.434 57.746 56.287 0.040 0.000 0.931 39 K CB -0.151 32.360 32.500 0.018 0.000 0.714 39 K HN 0.444 nan 8.250 nan 0.000 0.440 40 Q N 0.371 120.146 119.800 -0.041 0.000 2.234 40 Q HA -0.111 4.229 4.340 0.001 0.000 0.206 40 Q C 0.895 176.774 176.000 -0.201 0.000 0.980 40 Q CA 1.034 56.788 55.803 -0.080 0.000 0.869 40 Q CB -0.111 28.621 28.738 -0.010 0.000 0.912 40 Q HN 0.442 nan 8.270 nan 0.000 0.436 41 N N -0.861 117.662 118.700 -0.294 0.000 2.276 41 N HA 0.085 4.826 4.740 0.001 0.000 0.212 41 N C 0.619 176.010 175.510 -0.199 0.000 1.127 41 N CA 0.684 53.556 53.050 -0.297 0.000 0.834 41 N CB 1.222 39.450 38.487 -0.431 0.000 1.014 41 N HN 0.344 nan 8.380 nan 0.000 0.491 42 G N 0.755 109.481 108.800 -0.124 0.000 2.194 42 G HA2 -0.254 3.707 3.960 0.001 0.000 0.236 42 G HA3 -0.254 3.707 3.960 0.001 0.000 0.236 42 G C -0.084 174.773 174.900 -0.071 0.000 0.987 42 G CA -0.487 44.548 45.100 -0.109 0.000 0.635 42 G HN 0.235 nan 8.290 nan 0.000 0.520 43 F N 0.320 120.301 119.950 0.052 0.000 2.456 43 F HA 0.530 5.058 4.527 0.001 0.000 0.358 43 F C 1.366 177.230 175.800 0.107 0.000 1.095 43 F CA -0.186 57.856 58.000 0.069 0.000 1.216 43 F CB 0.685 39.676 39.000 -0.016 0.000 1.125 43 F HN 0.103 nan 8.300 nan 0.000 0.549 44 Y N 2.687 123.124 120.300 0.229 0.000 2.347 44 Y HA 0.468 5.019 4.550 0.001 0.000 0.294 44 Y C 0.714 176.754 175.900 0.232 0.000 1.117 44 Y CA 0.767 58.978 58.100 0.186 0.000 1.184 44 Y CB 0.170 38.721 38.460 0.151 0.000 1.047 44 Y HN 0.509 nan 8.280 nan 0.000 0.546 45 A N -0.134 122.924 122.820 0.397 0.000 2.593 45 A HA 0.562 4.883 4.320 0.001 0.000 0.290 45 A C -1.946 175.750 177.584 0.186 0.000 1.126 45 A CA -0.677 51.470 52.037 0.184 0.000 0.695 45 A CB 0.763 19.852 19.000 0.149 0.000 1.290 45 A HN 0.176 nan 8.150 nan 0.000 0.414 46 I N 1.529 122.148 120.570 0.082 0.000 2.389 46 I HA 0.520 4.691 4.170 0.001 0.000 0.288 46 I C 0.333 176.464 176.117 0.023 0.000 0.999 46 I CA -0.221 61.125 61.300 0.078 0.000 1.129 46 I CB 1.834 39.927 38.000 0.154 0.000 1.288 46 I HN 0.857 nan 8.210 nan 0.000 0.444 47 T N 4.636 119.166 114.554 -0.040 0.000 2.889 47 T HA 0.534 4.885 4.350 0.001 0.000 0.291 47 T C -0.610 173.952 174.700 -0.230 0.000 0.995 47 T CA -0.548 61.464 62.100 -0.145 0.000 1.092 47 T CB 1.576 70.353 68.868 -0.151 0.000 0.954 47 T HN 0.433 nan 8.240 nan 0.000 0.506 48 V N 2.577 122.226 119.914 -0.441 0.000 2.733 48 V HA 0.357 4.477 4.120 0.001 0.000 0.306 48 V C -1.309 174.205 176.094 -0.967 0.000 1.084 48 V CA -0.928 60.945 62.300 -0.711 0.000 0.905 48 V CB 2.028 33.182 31.823 -1.113 0.000 1.010 48 V HN 1.062 nan 8.190 nan 0.000 0.424 49 D N 6.040 125.929 120.400 -0.852 0.000 2.343 49 D HA 0.270 4.911 4.640 0.001 0.000 0.255 49 D C -0.769 174.856 176.300 -1.125 0.000 1.187 49 D CA 0.699 54.055 54.000 -1.074 0.000 0.875 49 D CB 0.916 40.874 40.800 -1.402 0.000 1.136 49 D HN 0.494 nan 8.370 nan 0.000 0.469 50 F N 2.157 121.684 119.950 -0.705 0.000 2.325 50 F HA 0.239 4.767 4.527 0.001 0.000 0.369 50 F C 0.091 175.655 175.800 -0.392 0.000 1.095 50 F CA -1.281 56.482 58.000 -0.394 0.000 1.082 50 F CB 0.704 39.605 39.000 -0.165 0.000 1.289 50 F HN 0.214 nan 8.300 nan 0.000 0.462 51 W N 3.643 125.042 121.300 0.164 0.000 2.251 51 W HA -0.012 4.648 4.660 0.001 0.000 0.327 51 W C 0.912 177.550 176.519 0.197 0.000 1.361 51 W CA -0.607 56.788 57.345 0.083 0.000 1.234 51 W CB 0.398 29.867 29.460 0.015 0.000 1.212 51 W HN 0.639 nan 8.180 nan 0.000 0.557 52 W N 2.735 124.154 121.300 0.199 0.000 2.363 52 W HA -0.095 4.565 4.660 0.001 0.000 0.296 52 W C 1.934 178.533 176.519 0.133 0.000 1.212 52 W CA 1.881 59.304 57.345 0.130 0.000 1.260 52 W CB -0.976 28.510 29.460 0.044 0.000 1.131 52 W HN 0.479 nan 8.180 nan 0.000 0.530 53 G N -0.127 108.798 108.800 0.209 0.000 2.479 53 G HA2 -0.270 3.690 3.960 0.001 0.000 0.220 53 G HA3 -0.270 3.690 3.960 0.001 0.000 0.220 53 G C 1.190 176.131 174.900 0.069 0.000 1.115 53 G CA 1.394 46.498 45.100 0.006 0.000 0.757 53 G HN 0.236 nan 8.290 nan 0.000 0.560 54 D N -0.114 120.399 120.400 0.188 0.000 2.369 54 D HA 0.083 4.723 4.640 0.001 0.000 0.231 54 D C 2.677 179.067 176.300 0.150 0.000 0.967 54 D CA 0.288 54.382 54.000 0.157 0.000 0.905 54 D CB -0.174 40.750 40.800 0.207 0.000 1.044 54 D HN 0.258 nan 8.370 nan 0.000 0.487 55 M N 0.007 119.741 119.600 0.224 0.000 2.374 55 M HA -0.046 4.435 4.480 0.001 0.000 0.264 55 M C 0.825 177.261 176.300 0.227 0.000 1.067 55 M CA 1.103 56.496 55.300 0.156 0.000 1.103 55 M CB 0.205 32.947 32.600 0.237 0.000 1.402 55 M HN -0.117 nan 8.290 nan 0.000 0.444 56 E N 0.235 120.622 120.200 0.311 0.000 4.170 56 E HA 0.056 4.407 4.350 0.001 0.000 0.199 56 E C 0.767 177.500 176.600 0.221 0.000 1.080 56 E CA -0.088 56.471 56.400 0.264 0.000 1.446 56 E CB 0.540 30.594 29.700 0.590 0.000 1.170 56 E HN 0.184 nan 8.360 nan 0.000 0.429 57 K N 0.446 120.917 120.400 0.119 0.000 1.991 57 K HA -0.148 4.173 4.320 0.001 0.000 0.212 57 K C 1.097 177.798 176.600 0.169 0.000 1.049 57 K CA 2.275 58.622 56.287 0.100 0.000 0.932 57 K CB 0.072 32.598 32.500 0.043 0.000 0.717 57 K HN 0.181 nan 8.250 nan 0.000 0.441 58 N N -0.816 117.911 118.700 0.046 0.000 2.409 58 N HA 0.063 4.804 4.740 0.001 0.000 0.179 58 N C 0.228 175.611 175.510 -0.212 0.000 1.032 58 N CA 0.606 53.641 53.050 -0.025 0.000 0.898 58 N CB 0.750 39.200 38.487 -0.062 0.000 0.971 58 N HN 0.335 nan 8.380 nan 0.000 0.441 59 G N -0.498 107.995 108.800 -0.512 0.000 2.328 59 G HA2 0.064 4.025 3.960 0.001 0.000 0.295 59 G HA3 0.064 4.025 3.960 0.001 0.000 0.295 59 G C -2.064 172.034 174.900 -1.336 0.000 1.413 59 G CA -0.903 43.501 45.100 -1.160 0.000 0.817 59 G HN -0.053 nan 8.290 nan 0.000 0.546 60 D N 0.544 119.991 120.400 -1.588 0.000 2.487 60 D HA 0.318 4.958 4.640 0.001 0.000 0.243 60 D C 1.016 176.935 176.300 -0.634 0.000 1.154 60 D CA 0.984 54.330 54.000 -1.089 0.000 0.876 60 D CB 0.545 40.901 40.800 -0.739 0.000 1.161 60 D HN 0.448 nan 8.370 nan 0.000 0.478 61 Q N 1.265 120.682 119.800 -0.638 0.000 2.406 61 Q HA -0.266 4.075 4.340 0.001 0.000 0.236 61 Q C -0.557 175.014 176.000 -0.715 0.000 0.799 61 Q CA 0.952 56.328 55.803 -0.713 0.000 1.286 61 Q CB -1.915 26.683 28.738 -0.233 0.000 1.615 61 Q HN 0.758 nan 8.270 nan 0.000 0.621 62 Q N 0.118 119.507 119.800 -0.685 0.000 2.673 62 Q HA 0.449 4.790 4.340 0.001 0.000 0.224 62 Q C -0.394 175.385 176.000 -0.367 0.000 1.226 62 Q CA -0.146 55.423 55.803 -0.391 0.000 1.019 62 Q CB 0.164 28.725 28.738 -0.296 0.000 1.312 62 Q HN 0.134 nan 8.270 nan 0.000 0.566 63 F N 0.637 120.551 119.950 -0.061 0.000 2.371 63 F HA 0.264 4.792 4.527 0.001 0.000 0.329 63 F C 0.670 176.303 175.800 -0.277 0.000 1.107 63 F CA -0.636 57.229 58.000 -0.224 0.000 1.137 63 F CB 1.066 39.919 39.000 -0.244 0.000 1.214 63 F HN 0.247 nan 8.300 nan 0.000 0.536 64 D N 1.843 122.095 120.400 -0.246 0.000 2.330 64 D HA 0.227 4.868 4.640 0.001 0.000 0.249 64 D C -0.681 175.470 176.300 -0.248 0.000 1.306 64 D CA -0.306 53.604 54.000 -0.149 0.000 0.956 64 D CB 0.119 40.902 40.800 -0.028 0.000 1.261 64 D HN 0.318 nan 8.370 nan 0.000 0.544 65 F N 1.118 121.138 119.950 0.117 0.000 2.639 65 F HA 0.080 4.608 4.527 0.001 0.000 0.300 65 F C 2.388 178.171 175.800 -0.029 0.000 1.109 65 F CA -0.188 57.822 58.000 0.017 0.000 1.335 65 F CB 0.355 39.323 39.000 -0.053 0.000 1.014 65 F HN 0.255 nan 8.300 nan 0.000 0.537 66 S N -0.130 115.658 115.700 0.147 0.000 2.370 66 S HA -0.330 4.141 4.470 0.001 0.000 0.226 66 S C 2.002 176.657 174.600 0.092 0.000 1.033 66 S CA 1.330 59.594 58.200 0.106 0.000 1.011 66 S CB -1.013 62.253 63.200 0.111 0.000 0.852 66 S HN 0.523 nan 8.310 nan 0.000 0.457 67 Y N 2.820 123.148 120.300 0.048 0.000 2.200 67 Y HA 0.099 4.649 4.550 0.001 0.000 0.290 67 Y C 2.669 178.592 175.900 0.037 0.000 1.137 67 Y CA 0.823 58.989 58.100 0.110 0.000 1.163 67 Y CB -1.058 37.507 38.460 0.174 0.000 0.988 67 Y HN 0.332 nan 8.280 nan 0.000 0.518 68 A N 0.160 122.804 122.820 -0.293 0.000 1.940 68 A HA -0.251 4.070 4.320 0.001 0.000 0.219 68 A C 2.110 179.401 177.584 -0.487 0.000 1.176 68 A CA 2.018 53.593 52.037 -0.769 0.000 0.631 68 A CB -0.701 17.658 19.000 -1.068 0.000 0.814 68 A HN 0.680 nan 8.150 nan 0.000 0.446 69 Q N -1.443 118.128 119.800 -0.381 0.000 2.123 69 Q HA -0.147 4.194 4.340 0.001 0.000 0.199 69 Q C 2.349 178.017 176.000 -0.554 0.000 0.966 69 Q CA 1.391 56.882 55.803 -0.520 0.000 0.845 69 Q CB -0.134 28.488 28.738 -0.193 0.000 0.907 69 Q HN 0.541 nan 8.270 nan 0.000 0.439 70 R N 0.659 120.919 120.500 -0.400 0.000 2.075 70 R HA -0.134 4.206 4.340 0.001 0.000 0.232 70 R C 1.738 177.593 176.300 -0.742 0.000 1.126 70 R CA 1.342 57.117 56.100 -0.541 0.000 0.963 70 R CB -0.779 29.235 30.300 -0.478 0.000 0.858 70 R HN 0.244 nan 8.270 nan 0.000 0.435 71 F N 0.574 120.095 119.950 -0.714 0.000 2.069 71 F HA -0.167 4.361 4.527 0.001 0.000 0.298 71 F C 2.073 177.731 175.800 -0.237 0.000 1.113 71 F CA 2.024 59.781 58.000 -0.405 0.000 1.214 71 F CB -0.618 38.236 39.000 -0.242 0.000 0.978 71 F HN 0.164 nan 8.300 nan 0.000 0.474 72 A N -0.472 122.300 122.820 -0.081 0.000 1.940 72 A HA -0.299 4.021 4.320 0.001 0.000 0.219 72 A C 2.030 179.465 177.584 -0.248 0.000 1.176 72 A CA 1.922 53.840 52.037 -0.198 0.000 0.631 72 A CB -0.963 17.674 19.000 -0.604 0.000 0.814 72 A HN 0.541 nan 8.150 nan 0.000 0.446 73 Q N 0.106 119.686 119.800 -0.366 0.000 2.084 73 Q HA -0.088 4.253 4.340 0.001 0.000 0.202 73 Q C 2.246 178.161 176.000 -0.141 0.000 0.978 73 Q CA 2.188 57.886 55.803 -0.176 0.000 0.844 73 Q CB -0.533 28.090 28.738 -0.192 0.000 0.898 73 Q HN 0.543 nan 8.270 nan 0.000 0.426 74 S N -0.964 114.604 115.700 -0.219 0.000 2.382 74 S HA -0.097 4.374 4.470 0.001 0.000 0.228 74 S C 1.856 176.437 174.600 -0.032 0.000 1.027 74 S CA 1.118 59.279 58.200 -0.065 0.000 0.991 74 S CB -0.270 63.004 63.200 0.124 0.000 0.823 74 S HN 0.265 nan 8.310 nan 0.000 0.469 75 V N 1.942 121.826 119.914 -0.050 0.000 2.343 75 V HA -0.175 3.946 4.120 0.001 0.000 0.247 75 V C 2.388 178.462 176.094 -0.033 0.000 1.051 75 V CA 1.720 63.990 62.300 -0.049 0.000 1.036 75 V CB -0.496 31.346 31.823 0.031 0.000 0.654 75 V HN 0.444 nan 8.190 nan 0.000 0.451 76 K N 0.184 120.581 120.400 -0.006 0.000 2.026 76 K HA -0.210 4.111 4.320 0.001 0.000 0.208 76 K C 2.058 178.657 176.600 -0.003 0.000 1.048 76 K CA 1.743 58.040 56.287 0.017 0.000 0.929 76 K CB -0.171 32.369 32.500 0.067 0.000 0.713 76 K HN 0.427 nan 8.250 nan 0.000 0.439 77 N N 0.908 119.601 118.700 -0.012 0.000 2.069 77 N HA -0.158 4.583 4.740 0.001 0.000 0.191 77 N C 1.553 177.053 175.510 -0.018 0.000 1.031 77 N CA 1.543 54.587 53.050 -0.010 0.000 0.852 77 N CB -0.431 38.051 38.487 -0.008 0.000 1.018 77 N HN 0.299 nan 8.380 nan 0.000 0.423 78 A N -0.012 122.783 122.820 -0.041 0.000 2.239 78 A HA 0.300 4.621 4.320 0.001 0.000 0.209 78 A C 1.413 178.970 177.584 -0.046 0.000 1.171 78 A CA 0.969 52.972 52.037 -0.056 0.000 0.768 78 A CB -0.634 18.293 19.000 -0.123 0.000 0.790 78 A HN 0.385 nan 8.150 nan 0.000 0.478 79 G N -1.858 106.919 108.800 -0.037 0.000 2.176 79 G HA2 -0.227 3.734 3.960 0.001 0.000 0.252 79 G HA3 -0.227 3.734 3.960 0.001 0.000 0.252 79 G C 0.109 174.972 174.900 -0.061 0.000 1.024 79 G CA 0.709 45.788 45.100 -0.035 0.000 0.755 79 G HN 0.304 nan 8.290 nan 0.000 0.507 80 M N -1.306 118.248 119.600 -0.075 0.000 2.872 80 M HA 0.610 5.091 4.480 0.001 0.000 0.290 80 M C 0.269 176.499 176.300 -0.117 0.000 1.180 80 M CA -0.493 54.741 55.300 -0.111 0.000 0.839 80 M CB 1.483 34.022 32.600 -0.102 0.000 1.667 80 M HN -0.032 nan 8.290 nan 0.000 0.512 81 K N 1.507 121.805 120.400 -0.169 0.000 2.281 81 K HA 0.732 5.053 4.320 0.001 0.000 0.242 81 K C -0.770 175.804 176.600 -0.044 0.000 0.971 81 K CA -0.495 55.708 56.287 -0.142 0.000 0.834 81 K CB 2.279 34.590 32.500 -0.315 0.000 1.181 81 K HN 0.795 nan 8.250 nan 0.000 0.435 82 M N -0.302 119.297 119.600 -0.001 0.000 2.619 82 M HA 0.617 5.097 4.480 0.001 0.000 0.297 82 M C -1.089 175.178 176.300 -0.056 0.000 1.229 82 M CA -0.816 54.503 55.300 0.032 0.000 0.860 82 M CB 1.898 34.592 32.600 0.156 0.000 1.741 82 M HN 0.385 nan 8.290 nan 0.000 0.462 83 I N 2.219 122.723 120.570 -0.109 0.000 2.495 83 I HA 0.425 4.595 4.170 0.001 0.000 0.277 83 I C -2.516 173.484 176.117 -0.196 0.000 1.045 83 I CA -1.860 59.336 61.300 -0.174 0.000 1.135 83 I CB 1.723 39.587 38.000 -0.226 0.000 1.241 83 I HN 0.439 nan 8.210 nan 0.000 0.469 84 P HA 0.258 nan 4.420 nan 0.000 0.271 84 P C -0.605 176.512 177.300 -0.306 0.000 1.216 84 P CA 0.065 63.004 63.100 -0.269 0.000 0.776 84 P CB 0.782 32.500 31.700 0.029 0.000 0.881 85 I N 3.658 123.970 120.570 -0.430 0.000 2.382 85 I HA 0.308 4.479 4.170 0.001 0.000 0.286 85 I C 0.273 176.148 176.117 -0.404 0.000 1.002 85 I CA -0.630 60.463 61.300 -0.345 0.000 1.135 85 I CB 1.174 38.936 38.000 -0.397 0.000 1.288 85 I HN 0.148 nan 8.210 nan 0.000 0.448 86 I N 5.581 125.930 120.570 -0.370 0.000 2.278 86 I HA 0.051 4.222 4.170 0.001 0.000 0.300 86 I C 0.403 176.382 176.117 -0.231 0.000 1.174 86 I CA 0.192 61.269 61.300 -0.371 0.000 1.347 86 I CB -0.059 37.684 38.000 -0.429 0.000 1.473 86 I HN 0.533 nan 8.210 nan 0.000 0.595 87 S N 3.345 118.882 115.700 -0.272 0.000 3.517 87 S HA 0.022 4.492 4.470 0.001 0.000 0.284 87 S C 1.402 175.993 174.600 -0.014 0.000 1.260 87 S CA -0.392 57.665 58.200 -0.238 0.000 0.975 87 S CB -0.344 62.381 63.200 -0.793 0.000 1.540 87 S HN 0.717 nan 8.310 nan 0.000 0.506 88 T N -0.271 114.309 114.554 0.043 0.000 3.317 88 T HA 0.032 4.383 4.350 0.001 0.000 0.250 88 T C 0.510 175.451 174.700 0.401 0.000 1.106 88 T CA -0.284 61.886 62.100 0.116 0.000 0.986 88 T CB -0.572 67.999 68.868 -0.496 0.000 1.010 88 T HN 0.762 nan 8.240 nan 0.000 0.560 89 H N -0.927 118.354 119.070 0.352 0.000 2.771 89 H HA 0.517 5.074 4.556 0.001 0.000 0.367 89 H C -0.702 174.836 175.328 0.351 0.000 1.172 89 H CA -1.105 55.147 56.048 0.339 0.000 1.186 89 H CB 1.364 31.291 29.762 0.276 0.000 1.790 89 H HN 0.208 nan 8.280 nan 0.000 0.556 90 Q N 0.814 120.787 119.800 0.290 0.000 2.340 90 Q HA 0.256 4.597 4.340 0.001 0.000 0.249 90 Q C -0.982 174.984 176.000 -0.057 0.000 0.957 90 Q CA -0.529 55.312 55.803 0.063 0.000 0.882 90 Q CB 0.874 29.655 28.738 0.071 0.000 1.235 90 Q HN 0.594 nan 8.270 nan 0.000 0.439 91 c N 3.737 122.044 118.600 -0.487 0.000 2.255 91 c HA 0.890 5.461 4.570 0.001 0.000 0.326 91 c C 0.038 173.930 174.090 -0.330 0.000 1.258 91 c CA 0.984 56.917 56.329 -0.659 0.000 1.676 91 c CB -0.814 40.767 42.510 -1.549 0.000 2.314 91 c HN 0.950 nan 8.230 nan 0.000 0.509 92 G N 3.591 112.300 108.800 -0.151 0.000 2.348 92 G HA2 0.481 4.442 3.960 0.001 0.000 0.606 92 G HA3 0.481 4.442 3.960 0.001 0.000 0.606 92 G C 0.384 175.259 174.900 -0.041 0.000 1.466 92 G CA 0.327 45.368 45.100 -0.098 0.000 0.950 92 G HN 2.172 nan 8.290 nan 0.000 0.657 93 G N 0.461 109.243 108.800 -0.030 0.000 2.498 93 G HA2 -0.296 3.665 3.960 0.001 0.000 0.229 93 G HA3 -0.296 3.665 3.960 0.001 0.000 0.229 93 G C 0.546 175.447 174.900 0.003 0.000 1.156 93 G CA 0.880 45.971 45.100 -0.015 0.000 0.680 93 G HN 1.395 nan 8.290 nan 0.000 0.512 94 N N 0.793 119.502 118.700 0.015 0.000 2.424 94 N HA 0.371 5.112 4.740 0.001 0.000 0.257 94 N C 0.713 176.246 175.510 0.039 0.000 1.250 94 N CA 0.127 53.197 53.050 0.033 0.000 0.946 94 N CB 1.120 39.634 38.487 0.045 0.000 1.175 94 N HN 0.252 nan 8.380 nan 0.000 0.477 95 V N 1.022 120.968 119.914 0.054 0.000 2.539 95 V HA 0.072 4.193 4.120 0.001 0.000 0.300 95 V C 1.550 177.664 176.094 0.034 0.000 1.019 95 V CA 1.256 63.579 62.300 0.038 0.000 1.160 95 V CB -0.208 31.636 31.823 0.034 0.000 0.901 95 V HN 1.035 nan 8.190 nan 0.000 0.481 96 G N 3.929 112.743 108.800 0.024 0.000 2.179 96 G HA2 -0.209 3.752 3.960 0.001 0.000 0.260 96 G HA3 -0.209 3.752 3.960 0.001 0.000 0.260 96 G C -0.082 174.836 174.900 0.031 0.000 0.977 96 G CA 0.072 45.189 45.100 0.027 0.000 0.641 96 G HN 0.718 nan 8.290 nan 0.000 0.533 97 D N 1.109 121.525 120.400 0.026 0.000 2.358 97 D HA 0.431 5.072 4.640 0.001 0.000 0.258 97 D C -0.200 176.097 176.300 -0.005 0.000 1.223 97 D CA 0.260 54.270 54.000 0.017 0.000 0.886 97 D CB 1.213 42.015 40.800 0.003 0.000 1.120 97 D HN 0.193 nan 8.370 nan 0.000 0.482 98 D N 2.267 122.667 120.400 -0.001 0.000 2.460 98 D HA 0.300 4.941 4.640 0.001 0.000 0.268 98 D C -0.827 175.450 176.300 -0.039 0.000 1.153 98 D CA -0.437 53.555 54.000 -0.013 0.000 0.929 98 D CB -0.277 40.528 40.800 0.009 0.000 1.015 98 D HN 0.453 nan 8.370 nan 0.000 0.502 99 c N 0.962 119.512 118.600 -0.083 0.000 3.167 99 c HA 0.697 5.268 4.570 0.001 0.000 0.348 99 c C -1.318 172.662 174.090 -0.183 0.000 1.394 99 c CA -1.154 55.087 56.329 -0.147 0.000 1.204 99 c CB 1.075 43.457 42.510 -0.213 0.000 1.467 99 c HN 0.422 nan 8.230 nan 0.000 0.446 100 N N -0.293 118.262 118.700 -0.241 0.000 2.976 100 N HA 0.513 5.254 4.740 0.001 0.000 0.220 100 N C -1.676 173.669 175.510 -0.274 0.000 1.428 100 N CA -0.141 52.777 53.050 -0.221 0.000 0.748 100 N CB 1.175 39.577 38.487 -0.142 0.000 1.484 100 N HN 0.938 nan 8.380 nan 0.000 0.578 101 V N 3.519 123.193 119.914 -0.400 0.000 2.380 101 V HA 0.483 4.604 4.120 0.001 0.000 0.268 101 V C -2.194 173.720 176.094 -0.299 0.000 1.008 101 V CA -1.275 60.784 62.300 -0.402 0.000 0.823 101 V CB 1.204 32.600 31.823 -0.710 0.000 1.053 101 V HN 0.387 nan 8.190 nan 0.000 0.446 102 P HA 0.332 nan 4.420 nan 0.000 0.274 102 P C 0.242 177.503 177.300 -0.064 0.000 1.256 102 P CA -0.323 62.737 63.100 -0.067 0.000 0.795 102 P CB 0.721 32.404 31.700 -0.028 0.000 1.038 103 I N -2.531 118.023 120.570 -0.026 0.000 2.945 103 I HA 0.393 4.564 4.170 0.001 0.000 0.292 103 I C -2.289 173.556 176.117 -0.454 0.000 1.093 103 I CA -2.694 58.476 61.300 -0.216 0.000 1.336 103 I CB -0.338 37.547 38.000 -0.192 0.000 1.435 103 I HN 0.108 nan 8.210 nan 0.000 0.593 104 P HA -0.074 nan 4.420 nan 0.000 0.257 104 P C 0.650 177.413 177.300 -0.895 0.000 1.162 104 P CA 0.486 63.041 63.100 -0.908 0.000 0.762 104 P CB 0.668 31.493 31.700 -1.459 0.000 0.753 105 S N 4.553 120.014 115.700 -0.397 0.000 2.383 105 S HA -0.145 4.326 4.470 0.001 0.000 0.229 105 S C 1.483 175.973 174.600 -0.183 0.000 1.030 105 S CA 1.164 59.288 58.200 -0.126 0.000 1.002 105 S CB -0.679 62.537 63.200 0.028 0.000 0.829 105 S HN 0.661 nan 8.310 nan 0.000 0.467 106 W N 1.058 122.266 121.300 -0.153 0.000 2.468 106 W HA 0.021 4.682 4.660 0.001 0.000 0.262 106 W C 1.376 177.778 176.519 -0.194 0.000 1.241 106 W CA 0.670 57.935 57.345 -0.133 0.000 1.232 106 W CB -1.137 28.244 29.460 -0.132 0.000 1.124 106 W HN 0.126 nan 8.180 nan 0.000 0.597 107 V N 0.795 120.062 119.914 -1.078 0.000 2.407 107 V HA -0.285 3.836 4.120 0.001 0.000 0.248 107 V C 2.083 177.803 176.094 -0.623 0.000 1.055 107 V CA 2.258 63.917 62.300 -1.068 0.000 1.049 107 V CB -1.005 29.887 31.823 -1.551 0.000 0.662 107 V HN 0.207 nan 8.190 nan 0.000 0.455 108 W N -0.064 121.124 121.300 -0.188 0.000 2.467 108 W HA -0.034 4.627 4.660 0.001 0.000 0.275 108 W C 1.956 178.468 176.519 -0.012 0.000 1.239 108 W CA 0.303 57.604 57.345 -0.072 0.000 1.266 108 W CB -0.447 28.972 29.460 -0.067 0.000 1.112 108 W HN 0.222 nan 8.180 nan 0.000 0.576 109 N N 0.424 119.221 118.700 0.162 0.000 2.434 109 N HA -0.072 4.668 4.740 0.001 0.000 0.196 109 N C 1.498 177.075 175.510 0.112 0.000 1.183 109 N CA 0.569 53.704 53.050 0.141 0.000 0.849 109 N CB -0.244 38.325 38.487 0.137 0.000 0.992 109 N HN 0.326 nan 8.380 nan 0.000 0.460 110 Q N 0.186 120.040 119.800 0.089 0.000 2.137 110 Q HA 0.067 4.408 4.340 0.001 0.000 0.198 110 Q C 0.135 176.164 176.000 0.049 0.000 0.960 110 Q CA 1.089 56.934 55.803 0.071 0.000 0.847 110 Q CB 0.429 29.191 28.738 0.040 0.000 0.915 110 Q HN 0.203 nan 8.270 nan 0.000 0.448 111 K N -0.886 119.543 120.400 0.049 0.000 2.395 111 K HA 0.314 4.635 4.320 0.001 0.000 0.247 111 K C 0.396 177.029 176.600 0.055 0.000 0.973 111 K CA -0.384 55.918 56.287 0.025 0.000 0.828 111 K CB 1.887 34.364 32.500 -0.039 0.000 1.272 111 K HN -0.266 nan 8.250 nan 0.000 0.439 112 S N 0.295 116.021 115.700 0.043 0.000 2.497 112 S HA -0.026 4.445 4.470 0.001 0.000 0.218 112 S C 0.300 174.934 174.600 0.057 0.000 1.023 112 S CA 0.360 58.595 58.200 0.058 0.000 0.913 112 S CB 0.161 63.392 63.200 0.052 0.000 0.800 112 S HN 0.699 nan 8.310 nan 0.000 0.505 113 D N 1.483 121.899 120.400 0.028 0.000 2.376 113 D HA 0.115 4.755 4.640 0.001 0.000 0.281 113 D C -0.117 176.165 176.300 -0.031 0.000 1.215 113 D CA -0.110 53.904 54.000 0.022 0.000 1.062 113 D CB -0.115 40.705 40.800 0.033 0.000 1.124 113 D HN 0.207 nan 8.370 nan 0.000 0.550 114 D N -2.466 117.867 120.400 -0.112 0.000 2.772 114 D HA 0.090 4.730 4.640 0.001 0.000 0.272 114 D C 0.617 176.591 176.300 -0.544 0.000 1.314 114 D CA -0.379 53.380 54.000 -0.401 0.000 0.835 114 D CB -0.279 40.293 40.800 -0.379 0.000 1.080 114 D HN 0.214 nan 8.370 nan 0.000 0.482 115 S N -0.428 114.928 115.700 -0.573 0.000 2.489 115 S HA -0.025 4.445 4.470 0.001 0.000 0.228 115 S C 1.674 175.890 174.600 -0.641 0.000 0.995 115 S CA 0.129 57.696 58.200 -1.054 0.000 0.934 115 S CB -0.446 61.639 63.200 -1.857 0.000 0.771 115 S HN 0.344 nan 8.310 nan 0.000 0.522 116 L N -0.150 120.844 121.223 -0.382 0.000 2.375 116 L HA 0.259 4.600 4.340 0.001 0.000 0.215 116 L C 1.116 178.001 176.870 0.026 0.000 1.108 116 L CA 0.071 54.845 54.840 -0.109 0.000 0.830 116 L CB -0.400 41.749 42.059 0.149 0.000 0.959 116 L HN 0.501 nan 8.230 nan 0.000 0.457 117 Y N -2.374 117.890 120.300 -0.061 0.000 2.772 117 Y HA 0.695 5.245 4.550 0.001 0.000 0.324 117 Y C -0.577 175.146 175.900 -0.296 0.000 1.169 117 Y CA -2.270 55.742 58.100 -0.147 0.000 1.198 117 Y CB 0.196 38.600 38.460 -0.092 0.000 1.402 117 Y HN -0.296 nan 8.280 nan 0.000 0.577 118 F N 0.412 120.624 119.950 0.437 0.000 2.492 118 F HA 0.630 5.157 4.527 0.001 0.000 0.327 118 F C -0.052 175.976 175.800 0.379 0.000 1.079 118 F CA -0.915 57.284 58.000 0.331 0.000 0.967 118 F CB 2.084 41.237 39.000 0.255 0.000 1.169 118 F HN 0.338 nan 8.300 nan 0.000 0.472 119 K N 1.406 122.120 120.400 0.524 0.000 2.507 119 K HA 0.451 4.771 4.320 0.001 0.000 0.251 119 K C -0.572 176.285 176.600 0.428 0.000 0.943 119 K CA -0.508 56.028 56.287 0.415 0.000 0.794 119 K CB 1.744 34.477 32.500 0.388 0.000 1.188 119 K HN 0.831 nan 8.250 nan 0.000 0.428 120 S N 1.987 117.857 115.700 0.283 0.000 2.652 120 S HA 0.152 4.622 4.470 0.001 0.000 0.267 120 S C 0.938 175.471 174.600 -0.111 0.000 1.201 120 S CA -0.328 57.992 58.200 0.200 0.000 0.996 120 S CB 0.845 64.100 63.200 0.093 0.000 1.054 120 S HN 0.700 nan 8.310 nan 0.000 0.561 121 E N 0.405 120.353 120.200 -0.421 0.000 2.150 121 E HA -0.086 4.264 4.350 0.001 0.000 0.193 121 E C 1.533 177.895 176.600 -0.396 0.000 0.985 121 E CA 1.521 57.393 56.400 -0.880 0.000 0.814 121 E CB -0.445 28.957 29.700 -0.498 0.000 0.752 121 E HN 0.893 nan 8.360 nan 0.000 0.466 122 T N -2.827 111.619 114.554 -0.180 0.000 3.188 122 T HA 0.338 4.689 4.350 0.001 0.000 0.250 122 T C 1.326 176.002 174.700 -0.040 0.000 1.077 122 T CA 0.180 62.227 62.100 -0.089 0.000 0.967 122 T CB 0.632 69.472 68.868 -0.047 0.000 1.006 122 T HN 0.264 nan 8.240 nan 0.000 0.552 123 G N 1.138 109.925 108.800 -0.023 0.000 2.143 123 G HA2 -0.247 3.714 3.960 0.001 0.000 0.249 123 G HA3 -0.247 3.714 3.960 0.001 0.000 0.249 123 G C 0.107 175.041 174.900 0.056 0.000 0.981 123 G CA 0.016 45.139 45.100 0.039 0.000 0.665 123 G HN 0.673 nan 8.290 nan 0.000 0.528 124 T N 0.931 115.516 114.554 0.052 0.000 2.814 124 T HA 0.460 4.810 4.350 0.001 0.000 0.297 124 T C 0.576 175.330 174.700 0.089 0.000 0.956 124 T CA -0.113 62.016 62.100 0.047 0.000 1.123 124 T CB 2.250 71.140 68.868 0.036 0.000 0.902 124 T HN 0.356 nan 8.240 nan 0.000 0.528 125 V N 5.118 125.054 119.914 0.036 0.000 2.439 125 V HA 0.361 4.481 4.120 0.001 0.000 0.282 125 V C 0.407 176.499 176.094 -0.003 0.000 1.039 125 V CA -0.816 61.495 62.300 0.018 0.000 0.913 125 V CB 1.369 33.069 31.823 -0.205 0.000 0.983 125 V HN 0.814 nan 8.190 nan 0.000 0.460 126 N N 4.115 122.892 118.700 0.128 0.000 2.314 126 N HA 0.424 5.165 4.740 0.001 0.000 0.294 126 N C -0.567 175.051 175.510 0.180 0.000 1.029 126 N CA -0.554 52.580 53.050 0.139 0.000 0.845 126 N CB 1.923 40.530 38.487 0.199 0.000 1.321 126 N HN 0.626 nan 8.380 nan 0.000 0.481 127 K N 2.233 122.637 120.400 0.007 0.000 2.972 127 K HA 0.088 4.408 4.320 0.001 0.000 0.209 127 K C 0.356 177.079 176.600 0.205 0.000 1.128 127 K CA -0.038 56.202 56.287 -0.079 0.000 1.024 127 K CB 0.616 32.626 32.500 -0.817 0.000 0.754 127 K HN 0.641 nan 8.250 nan 0.000 0.454 128 E N 0.170 120.523 120.200 0.255 0.000 2.489 128 E HA 0.012 4.363 4.350 0.001 0.000 0.193 128 E C 0.195 177.018 176.600 0.371 0.000 1.057 128 E CA 0.325 56.878 56.400 0.254 0.000 0.866 128 E CB 0.528 30.314 29.700 0.143 0.000 0.916 128 E HN -0.053 nan 8.360 nan 0.000 0.500 129 T N -0.377 114.481 114.554 0.506 0.000 2.770 129 T HA 0.252 4.603 4.350 0.001 0.000 0.323 129 T C -1.636 173.392 174.700 0.547 0.000 1.683 129 T CA -0.775 61.629 62.100 0.507 0.000 1.024 129 T CB 0.792 69.921 68.868 0.434 0.000 1.557 129 T HN 0.151 nan 8.240 nan 0.000 0.494 130 L N 3.459 124.906 121.223 0.374 0.000 2.367 130 L HA 0.373 4.714 4.340 0.001 0.000 0.275 130 L C 0.948 177.806 176.870 -0.021 0.000 1.129 130 L CA -0.697 54.244 54.840 0.168 0.000 0.839 130 L CB 0.571 42.682 42.059 0.087 0.000 1.133 130 L HN 0.616 nan 8.230 nan 0.000 0.453 131 N N 6.203 124.705 118.700 -0.329 0.000 2.440 131 N HA 0.008 4.749 4.740 0.001 0.000 0.265 131 N C -1.549 173.755 175.510 -0.343 0.000 1.239 131 N CA -1.236 51.427 53.050 -0.645 0.000 0.909 131 N CB 1.178 39.225 38.487 -0.732 0.000 1.066 131 N HN 0.341 nan 8.380 nan 0.000 0.474 132 P HA -0.131 nan 4.420 nan 0.000 0.229 132 P C 1.482 178.641 177.300 -0.234 0.000 1.150 132 P CA 0.767 63.572 63.100 -0.491 0.000 0.765 132 P CB 0.365 31.612 31.700 -0.755 0.000 0.783 133 L N -0.499 120.647 121.223 -0.129 0.000 2.141 133 L HA -0.048 4.292 4.340 0.001 0.000 0.209 133 L C 1.785 178.733 176.870 0.131 0.000 1.094 133 L CA 0.832 55.722 54.840 0.083 0.000 0.763 133 L CB -0.711 41.535 42.059 0.311 0.000 0.908 133 L HN -0.082 nan 8.230 nan 0.000 0.437 134 A N -0.293 122.488 122.820 -0.065 0.000 3.118 134 A HA 0.164 4.484 4.320 0.001 0.000 0.256 134 A C 1.656 179.185 177.584 -0.091 0.000 1.667 134 A CA 0.272 52.234 52.037 -0.125 0.000 1.338 134 A CB -0.439 18.418 19.000 -0.239 0.000 1.127 134 A HN 0.411 nan 8.150 nan 0.000 0.634 135 S N 0.628 116.310 115.700 -0.030 0.000 2.442 135 S HA -0.202 4.269 4.470 0.001 0.000 0.236 135 S C 1.417 175.988 174.600 -0.049 0.000 1.007 135 S CA 1.169 59.344 58.200 -0.043 0.000 0.965 135 S CB -0.287 62.914 63.200 0.002 0.000 0.773 135 S HN 0.769 nan 8.310 nan 0.000 0.504 136 D N 2.247 122.633 120.400 -0.023 0.000 2.084 136 D HA -0.084 4.556 4.640 0.001 0.000 0.196 136 D C 2.010 178.291 176.300 -0.033 0.000 0.985 136 D CA 1.059 55.050 54.000 -0.014 0.000 0.826 136 D CB -0.975 39.831 40.800 0.011 0.000 0.978 136 D HN 0.389 nan 8.370 nan 0.000 0.456 137 V N 1.186 121.071 119.914 -0.048 0.000 2.343 137 V HA -0.201 3.920 4.120 0.001 0.000 0.247 137 V C 2.781 178.835 176.094 -0.067 0.000 1.051 137 V CA 1.182 63.461 62.300 -0.034 0.000 1.036 137 V CB -0.476 31.315 31.823 -0.052 0.000 0.654 137 V HN 0.191 nan 8.190 nan 0.000 0.451 138 I N -0.220 120.244 120.570 -0.175 0.000 2.179 138 I HA -0.269 3.902 4.170 0.001 0.000 0.242 138 I C 2.750 178.675 176.117 -0.320 0.000 1.088 138 I CA 1.897 62.953 61.300 -0.408 0.000 1.357 138 I CB -0.480 37.206 38.000 -0.523 0.000 1.051 138 I HN 0.238 nan 8.210 nan 0.000 0.409 139 R N 1.550 121.942 120.500 -0.180 0.000 2.103 139 R HA -0.257 4.084 4.340 0.001 0.000 0.242 139 R C 2.320 178.580 176.300 -0.068 0.000 1.142 139 R CA 2.010 58.041 56.100 -0.115 0.000 0.960 139 R CB -0.172 30.091 30.300 -0.062 0.000 0.858 139 R HN 0.268 nan 8.270 nan 0.000 0.439 140 K N 0.026 120.411 120.400 -0.024 0.000 1.973 140 K HA -0.142 4.179 4.320 0.001 0.000 0.210 140 K C 1.870 178.514 176.600 0.074 0.000 1.045 140 K CA 1.594 57.900 56.287 0.032 0.000 0.937 140 K CB -0.034 32.503 32.500 0.061 0.000 0.721 140 K HN 0.109 nan 8.250 nan 0.000 0.438 141 E N 0.170 120.448 120.200 0.130 0.000 2.058 141 E HA -0.203 4.148 4.350 0.001 0.000 0.194 141 E C 2.176 178.825 176.600 0.081 0.000 0.997 141 E CA 1.372 57.913 56.400 0.236 0.000 0.801 141 E CB -0.513 29.440 29.700 0.421 0.000 0.746 141 E HN 0.434 nan 8.360 nan 0.000 0.450 142 Y N 0.837 120.919 120.300 -0.363 0.000 2.242 142 Y HA -0.007 4.544 4.550 0.001 0.000 0.291 142 Y C 2.596 178.028 175.900 -0.779 0.000 1.137 142 Y CA 0.795 58.458 58.100 -0.729 0.000 1.181 142 Y CB -1.164 36.828 38.460 -0.780 0.000 0.989 142 Y HN 0.095 nan 8.280 nan 0.000 0.527 143 G N -0.248 108.403 108.800 -0.250 0.000 2.446 143 G HA2 -0.245 3.715 3.960 0.001 0.000 0.217 143 G HA3 -0.245 3.715 3.960 0.001 0.000 0.217 143 G C 1.551 176.412 174.900 -0.066 0.000 1.168 143 G CA 1.023 46.022 45.100 -0.168 0.000 0.771 143 G HN 0.409 nan 8.290 nan 0.000 0.551 144 E N -0.442 119.778 120.200 0.032 0.000 2.106 144 E HA -0.060 4.291 4.350 0.001 0.000 0.192 144 E C 2.369 179.080 176.600 0.186 0.000 0.984 144 E CA 0.571 57.068 56.400 0.163 0.000 0.806 144 E CB -0.140 29.733 29.700 0.288 0.000 0.750 144 E HN 0.325 nan 8.360 nan 0.000 0.458 145 L N 0.263 121.568 121.223 0.137 0.000 2.027 145 L HA -0.170 4.171 4.340 0.001 0.000 0.206 145 L C 1.951 178.926 176.870 0.175 0.000 1.074 145 L CA 1.696 56.614 54.840 0.130 0.000 0.745 145 L CB -0.559 41.473 42.059 -0.045 0.000 0.898 145 L HN 0.233 nan 8.230 nan 0.000 0.433 146 Y N -0.997 119.276 120.300 -0.044 0.000 2.181 146 Y HA -0.277 4.273 4.550 0.001 0.000 0.288 146 Y C 2.456 178.264 175.900 -0.152 0.000 1.146 146 Y CA 1.048 59.101 58.100 -0.078 0.000 1.164 146 Y CB -0.565 37.730 38.460 -0.275 0.000 0.982 146 Y HN 0.232 nan 8.280 nan 0.000 0.515 147 T N 0.078 114.641 114.554 0.015 0.000 2.737 147 T HA -0.182 4.169 4.350 0.001 0.000 0.265 147 T C 2.135 176.800 174.700 -0.059 0.000 1.038 147 T CA 1.176 63.248 62.100 -0.047 0.000 1.144 147 T CB -0.500 68.355 68.868 -0.022 0.000 0.866 147 T HN 0.449 nan 8.240 nan 0.000 0.434 148 A N 0.820 123.576 122.820 -0.106 0.000 1.933 148 A HA -0.033 4.287 4.320 0.001 0.000 0.218 148 A C 2.020 179.260 177.584 -0.573 0.000 1.175 148 A CA 1.330 53.196 52.037 -0.285 0.000 0.628 148 A CB -0.945 17.668 19.000 -0.644 0.000 0.814 148 A HN 0.491 nan 8.150 nan 0.000 0.444 149 F N 0.867 120.464 119.950 -0.589 0.000 2.146 149 F HA -0.022 4.506 4.527 0.001 0.000 0.298 149 F C 2.523 178.167 175.800 -0.261 0.000 1.096 149 F CA 1.129 58.712 58.000 -0.695 0.000 1.275 149 F CB -0.380 38.530 39.000 -0.151 0.000 1.008 149 F HN 0.246 nan 8.300 nan 0.000 0.480 150 A N 0.353 123.280 122.820 0.178 0.000 1.908 150 A HA -0.106 4.215 4.320 0.001 0.000 0.218 150 A C 2.389 180.005 177.584 0.054 0.000 1.181 150 A CA 1.851 54.117 52.037 0.381 0.000 0.627 150 A CB -1.546 17.686 19.000 0.386 0.000 0.818 150 A HN 0.493 nan 8.150 nan 0.000 0.445 151 A N -0.306 122.447 122.820 -0.112 0.000 1.898 151 A HA 0.212 4.533 4.320 0.001 0.000 0.216 151 A C 2.483 179.950 177.584 -0.195 0.000 1.181 151 A CA 1.939 53.890 52.037 -0.144 0.000 0.620 151 A CB -0.918 18.009 19.000 -0.121 0.000 0.819 151 A HN 1.024 nan 8.150 nan 0.000 0.442 152 A N -1.039 121.557 122.820 -0.372 0.000 1.930 152 A HA -0.034 4.287 4.320 0.001 0.000 0.217 152 A C 1.963 179.410 177.584 -0.227 0.000 1.175 152 A CA 1.786 53.603 52.037 -0.367 0.000 0.627 152 A CB -0.353 18.196 19.000 -0.752 0.000 0.815 152 A HN 0.407 nan 8.150 nan 0.000 0.443 153 M N -0.546 118.878 119.600 -0.293 0.000 2.561 153 M HA 0.099 4.580 4.480 0.001 0.000 0.238 153 M C 1.627 178.057 176.300 0.216 0.000 1.131 153 M CA 0.611 55.895 55.300 -0.026 0.000 1.046 153 M CB -0.948 31.452 32.600 -0.333 0.000 1.532 153 M HN 0.554 nan 8.290 nan 0.000 0.497 154 K N 1.536 121.955 120.400 0.031 0.000 2.059 154 K HA -0.186 4.135 4.320 0.001 0.000 0.212 154 K C -0.962 175.536 176.600 -0.169 0.000 1.050 154 K CA 1.761 57.954 56.287 -0.157 0.000 0.927 154 K CB -0.797 31.576 32.500 -0.213 0.000 0.714 154 K HN 0.143 nan 8.250 nan 0.000 0.447 155 P HA -0.130 nan 4.420 nan 0.000 0.220 155 P C 0.013 176.981 177.300 -0.553 0.000 1.148 155 P CA 1.204 64.011 63.100 -0.488 0.000 0.803 155 P CB 0.033 31.277 31.700 -0.761 0.000 0.782 156 Y N -1.016 119.283 120.300 -0.003 0.000 2.532 156 Y HA 0.228 4.779 4.550 0.001 0.000 0.283 156 Y C 2.057 178.014 175.900 0.095 0.000 1.181 156 Y CA -0.355 57.759 58.100 0.023 0.000 1.256 156 Y CB -0.510 37.948 38.460 -0.003 0.000 1.112 156 Y HN -0.106 nan 8.280 nan 0.000 0.521 157 K N 1.612 122.137 120.400 0.209 0.000 2.127 157 K HA -0.251 4.070 4.320 0.001 0.000 0.208 157 K C 1.200 177.914 176.600 0.190 0.000 1.047 157 K CA 2.288 58.749 56.287 0.290 0.000 0.927 157 K CB -0.231 32.297 32.500 0.047 0.000 0.716 157 K HN 0.549 nan 8.250 nan 0.000 0.450 158 D N 0.587 121.049 120.400 0.103 0.000 2.309 158 D HA -0.123 4.517 4.640 0.001 0.000 0.212 158 D C 1.686 178.033 176.300 0.078 0.000 0.968 158 D CA 1.368 55.412 54.000 0.074 0.000 0.882 158 D CB 0.007 40.828 40.800 0.036 0.000 0.918 158 D HN 0.352 nan 8.370 nan 0.000 0.503 159 V N -2.138 117.838 119.914 0.104 0.000 3.643 159 V HA 0.284 4.405 4.120 0.001 0.000 0.280 159 V C 0.872 176.997 176.094 0.053 0.000 1.351 159 V CA -0.496 61.847 62.300 0.071 0.000 1.073 159 V CB -0.298 31.577 31.823 0.087 0.000 0.863 159 V HN -0.052 nan 8.190 nan 0.000 0.436 160 I N 1.900 122.509 120.570 0.065 0.000 2.312 160 I HA 0.518 4.689 4.170 0.001 0.000 0.291 160 I C 1.376 177.489 176.117 -0.008 0.000 1.031 160 I CA 0.252 61.544 61.300 -0.012 0.000 1.293 160 I CB 1.534 39.461 38.000 -0.123 0.000 1.403 160 I HN 0.210 nan 8.210 nan 0.000 0.484 161 A N 6.528 129.334 122.820 -0.024 0.000 2.147 161 A HA 0.156 4.477 4.320 0.001 0.000 0.211 161 A C 0.754 178.301 177.584 -0.061 0.000 1.160 161 A CA 0.668 52.721 52.037 0.026 0.000 0.781 161 A CB 0.274 19.364 19.000 0.149 0.000 0.842 161 A HN 0.746 nan 8.150 nan 0.000 0.475 162 K N -1.214 119.083 120.400 -0.170 0.000 2.685 162 K HA 0.544 4.865 4.320 0.001 0.000 0.290 162 K C -2.310 174.077 176.600 -0.355 0.000 1.018 162 K CA -0.684 55.447 56.287 -0.260 0.000 0.860 162 K CB 0.710 33.031 32.500 -0.299 0.000 1.498 162 K HN 0.084 nan 8.250 nan 0.000 0.390 163 I N 2.480 122.787 120.570 -0.438 0.000 2.533 163 I HA 0.344 4.515 4.170 0.001 0.000 0.290 163 I C -1.243 174.603 176.117 -0.451 0.000 1.056 163 I CA -0.848 60.153 61.300 -0.498 0.000 1.057 163 I CB 1.758 39.287 38.000 -0.784 0.000 1.240 163 I HN 0.524 nan 8.210 nan 0.000 0.423 164 Y N 5.709 125.802 120.300 -0.345 0.000 2.361 164 Y HA 0.589 5.140 4.550 0.001 0.000 0.332 164 Y C -0.214 175.523 175.900 -0.271 0.000 1.101 164 Y CA -0.528 57.422 58.100 -0.250 0.000 1.137 164 Y CB 1.634 39.968 38.460 -0.209 0.000 1.207 164 Y HN 0.282 nan 8.280 nan 0.000 0.463 165 L N 2.205 123.439 121.223 0.018 0.000 2.334 165 L HA 0.435 4.776 4.340 0.001 0.000 0.276 165 L C -0.102 176.812 176.870 0.073 0.000 1.014 165 L CA -0.889 53.931 54.840 -0.033 0.000 0.815 165 L CB 1.875 43.910 42.059 -0.040 0.000 1.268 165 L HN 0.478 nan 8.230 nan 0.000 0.428 166 S N 0.783 116.534 115.700 0.085 0.000 2.416 166 S HA 0.315 4.785 4.470 0.001 0.000 0.287 166 S C 0.957 175.687 174.600 0.216 0.000 1.139 166 S CA -0.341 57.953 58.200 0.158 0.000 1.058 166 S CB 0.910 64.284 63.200 0.289 0.000 0.967 166 S HN 0.805 nan 8.310 nan 0.000 0.495 167 G N 2.992 111.905 108.800 0.188 0.000 2.985 167 G HA2 0.515 4.476 3.960 0.001 0.000 0.209 167 G HA3 0.515 4.476 3.960 0.001 0.000 0.209 167 G C 0.706 175.766 174.900 0.268 0.000 1.165 167 G CA 0.263 45.511 45.100 0.246 0.000 0.776 167 G HN 1.165 nan 8.290 nan 0.000 0.541 168 G N -0.744 108.166 108.800 0.184 0.000 2.513 168 G HA2 0.301 4.262 3.960 0.001 0.000 0.182 168 G HA3 0.301 4.262 3.960 0.001 0.000 0.182 168 G C -3.211 171.710 174.900 0.035 0.000 1.190 168 G CA -0.752 44.426 45.100 0.130 0.000 0.987 168 G HN -0.041 nan 8.290 nan 0.000 0.479 169 P HA 0.372 nan 4.420 nan 0.000 0.261 169 P C 0.607 177.800 177.300 -0.178 0.000 1.183 169 P CA 1.956 65.008 63.100 -0.081 0.000 0.761 169 P CB 1.058 32.654 31.700 -0.173 0.000 0.785 170 A N 3.964 126.639 122.820 -0.242 0.000 2.816 170 A HA -0.098 4.223 4.320 0.001 0.000 0.270 170 A C 1.507 178.728 177.584 -0.605 0.000 1.413 170 A CA 1.413 53.267 52.037 -0.305 0.000 0.866 170 A CB -2.415 16.545 19.000 -0.067 0.000 1.032 170 A HN 1.062 nan 8.150 nan 0.000 0.642 171 G N -2.376 105.823 108.800 -1.002 0.000 2.143 171 G HA2 -0.141 3.820 3.960 0.001 0.000 0.249 171 G HA3 -0.141 3.820 3.960 0.001 0.000 0.249 171 G C -0.267 174.555 174.900 -0.130 0.000 0.981 171 G CA 1.046 45.843 45.100 -0.506 0.000 0.665 171 G HN 1.294 nan 8.290 nan 0.000 0.528 172 E N -1.009 119.148 120.200 -0.071 0.000 2.207 172 E HA 0.618 4.969 4.350 0.001 0.000 0.270 172 E C -0.046 176.631 176.600 0.128 0.000 0.927 172 E CA -1.107 55.340 56.400 0.078 0.000 0.799 172 E CB 1.965 31.733 29.700 0.113 0.000 1.172 172 E HN 0.209 nan 8.360 nan 0.000 0.404 173 L N 4.471 125.836 121.223 0.236 0.000 2.536 173 L HA 0.230 4.571 4.340 0.001 0.000 0.282 173 L C -0.555 176.436 176.870 0.201 0.000 1.147 173 L CA 0.828 55.810 54.840 0.237 0.000 0.936 173 L CB -0.942 41.327 42.059 0.350 0.000 1.279 173 L HN 0.581 nan 8.230 nan 0.000 0.461 174 R N 2.127 122.608 120.500 -0.031 0.000 2.764 174 R HA 0.414 4.755 4.340 0.001 0.000 0.276 174 R C -1.539 174.540 176.300 -0.369 0.000 1.021 174 R CA -1.075 54.890 56.100 -0.225 0.000 0.870 174 R CB 0.451 30.670 30.300 -0.134 0.000 1.293 174 R HN 0.142 nan 8.270 nan 0.000 0.469 175 Y N 0.368 120.469 120.300 -0.332 0.000 2.419 175 Y HA 0.418 4.969 4.550 0.001 0.000 0.328 175 Y C -1.702 173.917 175.900 -0.468 0.000 1.162 175 Y CA -2.290 55.554 58.100 -0.428 0.000 1.174 175 Y CB 1.632 39.907 38.460 -0.309 0.000 1.228 175 Y HN 0.400 nan 8.280 nan 0.000 0.473 176 P HA 0.024 nan 4.420 nan 0.000 0.220 176 P C 0.141 177.296 177.300 -0.242 0.000 1.806 176 P CA 0.163 63.013 63.100 -0.417 0.000 0.976 176 P CB -0.107 31.315 31.700 -0.463 0.000 1.952 177 S N -0.025 115.584 115.700 -0.152 0.000 2.461 177 S HA -0.092 4.378 4.470 0.001 0.000 0.228 177 S C 0.706 175.393 174.600 0.145 0.000 1.005 177 S CA 0.046 58.255 58.200 0.016 0.000 0.942 177 S CB -1.036 62.197 63.200 0.054 0.000 0.776 177 S HN 0.404 nan 8.310 nan 0.000 0.514 178 Y N 2.013 122.358 120.300 0.074 0.000 2.712 178 Y HA 0.733 5.284 4.550 0.001 0.000 0.328 178 Y C -0.331 175.635 175.900 0.110 0.000 0.995 178 Y CA -1.014 57.180 58.100 0.156 0.000 1.283 178 Y CB 0.142 38.819 38.460 0.363 0.000 1.092 178 Y HN 0.107 nan 8.280 nan 0.000 0.519 179 T N -1.691 112.937 114.554 0.124 0.000 2.900 179 T HA 0.274 4.624 4.350 0.001 0.000 0.295 179 T C 0.654 175.392 174.700 0.063 0.000 1.044 179 T CA -0.628 61.506 62.100 0.056 0.000 0.995 179 T CB 1.768 70.632 68.868 -0.007 0.000 1.072 179 T HN 0.452 nan 8.240 nan 0.000 0.473 180 T N 1.914 116.495 114.554 0.045 0.000 2.699 180 T HA -0.142 4.209 4.350 0.001 0.000 0.268 180 T C 2.188 176.899 174.700 0.018 0.000 1.036 180 T CA 2.127 64.245 62.100 0.030 0.000 1.147 180 T CB -0.578 68.300 68.868 0.017 0.000 0.862 180 T HN 0.744 nan 8.240 nan 0.000 0.446 181 S N 1.278 116.984 115.700 0.010 0.000 2.382 181 S HA -0.115 4.356 4.470 0.001 0.000 0.228 181 S C 1.736 176.341 174.600 0.010 0.000 1.027 181 S CA 1.047 59.248 58.200 0.002 0.000 0.991 181 S CB -0.329 62.866 63.200 -0.008 0.000 0.823 181 S HN 0.422 nan 8.310 nan 0.000 0.469 182 D N 0.555 120.968 120.400 0.021 0.000 2.340 182 D HA 0.165 4.805 4.640 0.001 0.000 0.220 182 D C 1.319 177.639 176.300 0.034 0.000 1.039 182 D CA 0.539 54.556 54.000 0.028 0.000 0.866 182 D CB -0.437 40.386 40.800 0.038 0.000 0.913 182 D HN 0.398 nan 8.370 nan 0.000 0.523 183 G N 0.628 109.448 108.800 0.034 0.000 2.258 183 G HA2 -0.315 3.645 3.960 0.001 0.000 0.274 183 G HA3 -0.315 3.645 3.960 0.001 0.000 0.274 183 G C 0.902 175.835 174.900 0.055 0.000 1.021 183 G CA 1.137 46.258 45.100 0.033 0.000 0.798 183 G HN 0.447 nan 8.290 nan 0.000 0.507 184 T N -2.147 112.460 114.554 0.089 0.000 3.129 184 T HA 0.552 4.903 4.350 0.001 0.000 0.267 184 T C 1.337 176.173 174.700 0.227 0.000 1.018 184 T CA 0.627 62.814 62.100 0.145 0.000 0.903 184 T CB 1.031 69.992 68.868 0.155 0.000 1.067 184 T HN 1.251 nan 8.240 nan 0.000 0.549 185 G N 1.093 109.986 108.800 0.155 0.000 2.554 185 G HA2 0.337 4.298 3.960 0.001 0.000 0.238 185 G HA3 0.337 4.298 3.960 0.001 0.000 0.238 185 G C -0.345 174.566 174.900 0.019 0.000 1.259 185 G CA -0.750 44.441 45.100 0.152 0.000 0.843 185 G HN 0.561 nan 8.290 nan 0.000 0.582 186 Y N 2.979 123.058 120.300 -0.368 0.000 2.805 186 Y HA 0.178 4.729 4.550 0.001 0.000 0.337 186 Y C -0.975 174.616 175.900 -0.516 0.000 1.252 186 Y CA -0.909 56.571 58.100 -1.033 0.000 1.515 186 Y CB 0.963 38.383 38.460 -1.735 0.000 1.305 186 Y HN 0.365 nan 8.280 nan 0.000 0.600 187 P HA 0.123 nan 4.420 nan 0.000 0.258 187 P C -0.577 176.583 177.300 -0.232 0.000 1.416 187 P CA -0.001 62.392 63.100 -1.180 0.000 0.927 187 P CB 0.172 31.197 31.700 -1.124 0.000 1.444 188 S N 1.252 116.885 115.700 -0.111 0.000 2.589 188 S HA 0.192 4.662 4.470 0.001 0.000 0.265 188 S C 0.742 175.483 174.600 0.236 0.000 1.342 188 S CA -0.556 57.685 58.200 0.068 0.000 1.005 188 S CB 0.464 63.687 63.200 0.038 0.000 0.909 188 S HN 0.335 nan 8.310 nan 0.000 0.555 189 R N 0.380 120.966 120.500 0.144 0.000 2.694 189 R HA 0.494 4.835 4.340 0.001 0.000 0.268 189 R C 0.427 176.787 176.300 0.100 0.000 1.061 189 R CA -0.397 55.766 56.100 0.104 0.000 1.133 189 R CB -0.060 30.273 30.300 0.057 0.000 1.020 189 R HN 0.580 nan 8.270 nan 0.000 0.475 190 G N 1.634 110.455 108.800 0.034 0.000 2.476 190 G HA2 0.293 4.254 3.960 0.001 0.000 0.286 190 G HA3 0.293 4.254 3.960 0.001 0.000 0.286 190 G C -0.925 173.929 174.900 -0.077 0.000 1.177 190 G CA -0.968 44.150 45.100 0.030 0.000 0.870 190 G HN 0.538 nan 8.290 nan 0.000 0.528 191 K N -0.004 120.372 120.400 -0.039 0.000 2.123 191 K HA 0.375 4.696 4.320 0.001 0.000 0.259 191 K C -0.782 175.776 176.600 -0.069 0.000 0.960 191 K CA -0.458 55.809 56.287 -0.034 0.000 0.872 191 K CB 1.587 34.108 32.500 0.035 0.000 1.079 191 K HN 0.359 nan 8.250 nan 0.000 0.440 192 F N 1.619 121.630 119.950 0.101 0.000 2.518 192 F HA 0.004 4.531 4.527 0.001 0.000 0.359 192 F C 1.381 177.382 175.800 0.334 0.000 1.118 192 F CA 0.227 58.304 58.000 0.129 0.000 1.287 192 F CB 0.676 39.710 39.000 0.057 0.000 1.132 192 F HN 0.259 nan 8.300 nan 0.000 0.587 193 Q N 3.030 123.090 119.800 0.432 0.000 2.302 193 Q HA 0.343 4.684 4.340 0.001 0.000 0.332 193 Q C -0.063 176.218 176.000 0.468 0.000 0.913 193 Q CA -0.083 55.981 55.803 0.436 0.000 1.098 193 Q CB 1.061 29.986 28.738 0.312 0.000 1.236 193 Q HN 0.646 nan 8.270 nan 0.000 0.436 194 A N 0.106 123.131 122.820 0.343 0.000 2.985 194 A HA 0.356 4.676 4.320 0.001 0.000 0.303 194 A C -0.361 177.129 177.584 -0.158 0.000 1.048 194 A CA -0.325 51.829 52.037 0.195 0.000 1.016 194 A CB -0.084 19.141 19.000 0.375 0.000 1.118 194 A HN 0.234 nan 8.150 nan 0.000 0.529 195 Y N 0.539 120.988 120.300 0.248 0.000 2.607 195 Y HA 0.151 4.701 4.550 0.001 0.000 0.266 195 Y C 1.363 177.365 175.900 0.169 0.000 1.178 195 Y CA 0.130 58.335 58.100 0.175 0.000 1.226 195 Y CB 0.136 38.676 38.460 0.134 0.000 1.144 195 Y HN 0.405 nan 8.280 nan 0.000 0.528 196 T N -2.848 111.855 114.554 0.249 0.000 2.909 196 T HA 0.116 4.467 4.350 0.001 0.000 0.289 196 T C 1.120 175.922 174.700 0.170 0.000 1.005 196 T CA -0.646 61.566 62.100 0.185 0.000 1.084 196 T CB 1.506 70.427 68.868 0.089 0.000 0.975 196 T HN 0.088 nan 8.240 nan 0.000 0.509 197 E N 0.734 121.024 120.200 0.151 0.000 2.160 197 E HA -0.108 4.243 4.350 0.001 0.000 0.195 197 E C 1.345 178.031 176.600 0.144 0.000 0.991 197 E CA 0.915 57.395 56.400 0.133 0.000 0.810 197 E CB -0.404 29.367 29.700 0.119 0.000 0.742 197 E HN 0.822 nan 8.360 nan 0.000 0.466 198 F N 1.322 121.291 119.950 0.032 0.000 2.146 198 F HA -0.114 4.414 4.527 0.001 0.000 0.298 198 F C 2.247 178.112 175.800 0.108 0.000 1.096 198 F CA 1.378 59.402 58.000 0.040 0.000 1.275 198 F CB -0.242 38.746 39.000 -0.019 0.000 1.008 198 F HN -0.008 nan 8.300 nan 0.000 0.480 199 A N 0.213 123.164 122.820 0.220 0.000 1.933 199 A HA -0.183 4.138 4.320 0.001 0.000 0.218 199 A C 2.224 179.912 177.584 0.174 0.000 1.175 199 A CA 1.766 53.971 52.037 0.280 0.000 0.628 199 A CB -0.619 18.584 19.000 0.338 0.000 0.814 199 A HN 0.449 nan 8.150 nan 0.000 0.444 200 K N 0.416 120.868 120.400 0.086 0.000 2.026 200 K HA -0.130 4.191 4.320 0.001 0.000 0.208 200 K C 2.436 179.040 176.600 0.006 0.000 1.048 200 K CA 1.697 58.011 56.287 0.045 0.000 0.929 200 K CB -0.253 32.281 32.500 0.057 0.000 0.713 200 K HN 0.654 nan 8.250 nan 0.000 0.439 201 S N 1.412 117.089 115.700 -0.038 0.000 2.382 201 S HA -0.114 4.357 4.470 0.001 0.000 0.228 201 S C 1.806 176.342 174.600 -0.107 0.000 1.027 201 S CA 0.887 59.039 58.200 -0.080 0.000 0.991 201 S CB -0.141 62.997 63.200 -0.104 0.000 0.823 201 S HN 0.174 nan 8.310 nan 0.000 0.469 202 K N 0.391 120.715 120.400 -0.127 0.000 2.057 202 K HA -0.006 4.314 4.320 0.001 0.000 0.206 202 K C 1.892 178.495 176.600 0.005 0.000 1.050 202 K CA 1.203 57.489 56.287 -0.000 0.000 0.935 202 K CB -0.532 32.039 32.500 0.118 0.000 0.715 202 K HN 0.474 nan 8.250 nan 0.000 0.439 203 F N 2.759 122.391 119.950 -0.531 0.000 2.075 203 F HA -0.177 4.351 4.527 0.001 0.000 0.297 203 F C 2.559 178.166 175.800 -0.321 0.000 1.113 203 F CA 1.461 58.772 58.000 -1.149 0.000 1.218 203 F CB -0.458 37.744 39.000 -1.331 0.000 0.984 203 F HN -0.114 nan 8.300 nan 0.000 0.472 204 R N 0.475 120.768 120.500 -0.346 0.000 2.096 204 R HA -0.196 4.145 4.340 0.001 0.000 0.240 204 R C 2.340 178.520 176.300 -0.201 0.000 1.139 204 R CA 2.237 58.163 56.100 -0.290 0.000 0.952 204 R CB -0.620 29.610 30.300 -0.117 0.000 0.854 204 R HN 0.468 nan 8.270 nan 0.000 0.436 205 L N -1.044 120.115 121.223 -0.107 0.000 2.046 205 L HA -0.191 4.150 4.340 0.001 0.000 0.208 205 L C 2.389 179.258 176.870 -0.002 0.000 1.077 205 L CA 1.465 56.278 54.840 -0.045 0.000 0.747 205 L CB -0.633 41.423 42.059 -0.005 0.000 0.896 205 L HN 0.403 nan 8.230 nan 0.000 0.432 206 W N 0.320 121.526 121.300 -0.157 0.000 2.358 206 W HA -0.170 4.490 4.660 0.001 0.000 0.303 206 W C 2.198 178.615 176.519 -0.171 0.000 1.208 206 W CA 1.472 58.766 57.345 -0.086 0.000 1.274 206 W CB -0.191 29.297 29.460 0.047 0.000 1.138 206 W HN -0.213 nan 8.180 nan 0.000 0.515 207 V N 1.357 121.220 119.914 -0.085 0.000 2.223 207 V HA -0.342 3.779 4.120 0.001 0.000 0.244 207 V C 2.375 178.295 176.094 -0.291 0.000 1.045 207 V CA 2.248 64.402 62.300 -0.243 0.000 1.000 207 V CB -1.221 30.417 31.823 -0.308 0.000 0.635 207 V HN 0.218 nan 8.190 nan 0.000 0.445 208 L N 0.790 121.878 121.223 -0.224 0.000 2.187 208 L HA -0.215 4.126 4.340 0.001 0.000 0.213 208 L C 2.412 179.169 176.870 -0.189 0.000 1.100 208 L CA 1.863 56.596 54.840 -0.179 0.000 0.765 208 L CB -0.742 41.232 42.059 -0.141 0.000 0.904 208 L HN 0.539 nan 8.230 nan 0.000 0.437 209 N N 0.486 119.046 118.700 -0.232 0.000 2.376 209 N HA -0.182 4.559 4.740 0.001 0.000 0.177 209 N C 1.873 177.173 175.510 -0.350 0.000 1.024 209 N CA 0.753 53.662 53.050 -0.235 0.000 0.893 209 N CB 0.228 38.606 38.487 -0.183 0.000 0.980 209 N HN 0.346 nan 8.380 nan 0.000 0.439 210 K N -0.419 119.640 120.400 -0.567 0.000 2.116 210 K HA -0.083 4.238 4.320 0.001 0.000 0.203 210 K C 0.898 177.092 176.600 -0.678 0.000 1.052 210 K CA 0.907 56.741 56.287 -0.755 0.000 0.952 210 K CB 0.031 31.807 32.500 -1.206 0.000 0.729 210 K HN 0.235 nan 8.250 nan 0.000 0.446 211 Y N -0.918 119.213 120.300 -0.282 0.000 2.449 211 Y HA 0.184 4.735 4.550 0.001 0.000 0.254 211 Y C 1.532 177.320 175.900 -0.187 0.000 1.140 211 Y CA 0.107 58.070 58.100 -0.228 0.000 1.272 211 Y CB 1.031 39.322 38.460 -0.282 0.000 1.114 211 Y HN 0.341 nan 8.280 nan 0.000 0.525 212 G N 0.906 109.657 108.800 -0.083 0.000 2.322 212 G HA2 -0.351 3.610 3.960 0.001 0.000 0.264 212 G HA3 -0.351 3.610 3.960 0.001 0.000 0.264 212 G C 0.286 175.146 174.900 -0.067 0.000 0.992 212 G CA 0.731 45.785 45.100 -0.077 0.000 0.624 212 G HN 0.573 nan 8.290 nan 0.000 0.543 213 S N -1.604 114.058 115.700 -0.063 0.000 2.537 213 S HA 0.642 5.112 4.470 0.001 0.000 0.271 213 S C 0.611 175.135 174.600 -0.128 0.000 1.148 213 S CA 0.099 58.248 58.200 -0.085 0.000 0.868 213 S CB 1.640 64.797 63.200 -0.072 0.000 1.115 213 S HN 0.654 nan 8.310 nan 0.000 0.461 214 L N 1.453 122.595 121.223 -0.134 0.000 2.129 214 L HA -0.165 4.176 4.340 0.001 0.000 0.212 214 L C 2.287 179.045 176.870 -0.186 0.000 1.087 214 L CA 2.043 56.780 54.840 -0.172 0.000 0.757 214 L CB -0.558 41.428 42.059 -0.123 0.000 0.896 214 L HN 0.933 nan 8.230 nan 0.000 0.434 215 N N 0.113 118.729 118.700 -0.141 0.000 2.028 215 N HA -0.236 4.504 4.740 0.001 0.000 0.194 215 N C 1.708 177.112 175.510 -0.176 0.000 1.050 215 N CA 1.712 54.684 53.050 -0.129 0.000 0.848 215 N CB -0.069 38.364 38.487 -0.090 0.000 1.038 215 N HN 0.194 nan 8.380 nan 0.000 0.423 216 E N -0.049 120.048 120.200 -0.171 0.000 2.160 216 E HA -0.115 4.235 4.350 0.001 0.000 0.195 216 E C 2.096 178.397 176.600 -0.499 0.000 0.991 216 E CA 0.623 56.892 56.400 -0.218 0.000 0.810 216 E CB -0.357 29.294 29.700 -0.082 0.000 0.742 216 E HN 0.264 nan 8.360 nan 0.000 0.466 217 V N 2.160 121.740 119.914 -0.557 0.000 2.270 217 V HA -0.227 3.894 4.120 0.001 0.000 0.245 217 V C 2.060 177.708 176.094 -0.744 0.000 1.043 217 V CA 1.653 63.379 62.300 -0.958 0.000 1.014 217 V CB -0.543 30.800 31.823 -0.800 0.000 0.645 217 V HN 0.191 nan 8.190 nan 0.000 0.447 218 N N 0.167 118.625 118.700 -0.403 0.000 2.149 218 N HA -0.160 4.581 4.740 0.001 0.000 0.188 218 N C 1.812 177.240 175.510 -0.137 0.000 1.019 218 N CA 1.358 54.292 53.050 -0.193 0.000 0.857 218 N CB -0.215 38.196 38.487 -0.126 0.000 0.997 218 N HN 0.532 nan 8.380 nan 0.000 0.426 219 K N 0.547 120.832 120.400 -0.191 0.000 2.007 219 K HA 0.072 4.393 4.320 0.001 0.000 0.206 219 K C 2.086 178.612 176.600 -0.122 0.000 1.047 219 K CA 1.029 57.239 56.287 -0.129 0.000 0.937 219 K CB -0.196 32.228 32.500 -0.126 0.000 0.718 219 K HN 0.080 nan 8.250 nan 0.000 0.438 220 A N 0.861 123.514 122.820 -0.278 0.000 1.940 220 A HA -0.175 4.146 4.320 0.001 0.000 0.219 220 A C 1.469 179.113 177.584 0.100 0.000 1.176 220 A CA 1.336 53.237 52.037 -0.226 0.000 0.631 220 A CB -0.678 17.861 19.000 -0.769 0.000 0.814 220 A HN 0.410 nan 8.150 nan 0.000 0.446 221 W N -1.166 120.043 121.300 -0.151 0.000 3.139 221 W HA 0.363 5.024 4.660 0.001 0.000 0.260 221 W C 1.588 178.094 176.519 -0.022 0.000 1.312 221 W CA 0.079 57.409 57.345 -0.026 0.000 1.606 221 W CB -1.044 28.419 29.460 0.006 0.000 1.118 221 W HN 0.611 nan 8.180 nan 0.000 0.675 222 G N 1.562 110.454 108.800 0.155 0.000 2.249 222 G HA2 -0.271 3.690 3.960 0.001 0.000 0.273 222 G HA3 -0.271 3.690 3.960 0.001 0.000 0.273 222 G C 0.375 175.322 174.900 0.078 0.000 1.036 222 G CA 0.825 45.973 45.100 0.081 0.000 0.824 222 G HN 0.283 nan 8.290 nan 0.000 0.504 223 T N -3.558 111.055 114.554 0.099 0.000 2.927 223 T HA 0.762 5.113 4.350 0.001 0.000 0.286 223 T C -0.045 174.671 174.700 0.028 0.000 1.040 223 T CA -0.645 61.502 62.100 0.077 0.000 1.010 223 T CB 2.592 71.552 68.868 0.153 0.000 1.177 223 T HN 0.212 nan 8.240 nan 0.000 0.546 224 K N 1.153 121.562 120.400 0.016 0.000 2.954 224 K HA 0.410 4.731 4.320 0.001 0.000 0.171 224 K C -0.807 175.790 176.600 -0.006 0.000 1.079 224 K CA -0.380 55.904 56.287 -0.005 0.000 0.908 224 K CB 0.064 32.560 32.500 -0.008 0.000 1.142 224 K HN 0.550 nan 8.250 nan 0.000 0.613 225 L N 2.794 124.014 121.223 -0.005 0.000 2.426 225 L HA 0.115 4.456 4.340 0.001 0.000 0.271 225 L C 1.622 178.480 176.870 -0.021 0.000 1.169 225 L CA -0.299 54.538 54.840 -0.005 0.000 0.836 225 L CB 0.443 42.504 42.059 0.002 0.000 1.112 225 L HN 0.469 nan 8.230 nan 0.000 0.465 226 I N 1.747 122.308 120.570 -0.015 0.000 2.133 226 I HA -0.131 4.039 4.170 0.001 0.000 0.238 226 I C 1.158 177.260 176.117 -0.025 0.000 1.074 226 I CA 1.389 62.678 61.300 -0.018 0.000 1.342 226 I CB 0.172 38.165 38.000 -0.011 0.000 1.053 226 I HN 0.786 nan 8.210 nan 0.000 0.404 227 S N -1.035 114.651 115.700 -0.023 0.000 2.732 227 S HA 0.373 4.843 4.470 0.001 0.000 0.293 227 S C 0.616 175.195 174.600 -0.036 0.000 1.159 227 S CA -0.461 57.721 58.200 -0.030 0.000 0.847 227 S CB 1.023 64.211 63.200 -0.020 0.000 1.169 227 S HN 0.308 nan 8.310 nan 0.000 0.501 228 E N 0.776 120.950 120.200 -0.045 0.000 2.204 228 E HA -0.073 4.278 4.350 0.001 0.000 0.195 228 E C 1.711 178.294 176.600 -0.029 0.000 0.990 228 E CA 0.813 57.179 56.400 -0.056 0.000 0.821 228 E CB -0.727 28.934 29.700 -0.064 0.000 0.750 228 E HN 0.646 nan 8.360 nan 0.000 0.477 229 L N 0.633 121.848 121.223 -0.013 0.000 2.549 229 L HA -0.002 4.339 4.340 0.001 0.000 0.229 229 L C 2.282 179.165 176.870 0.022 0.000 1.158 229 L CA 0.652 55.495 54.840 0.005 0.000 0.842 229 L CB -0.435 41.628 42.059 0.006 0.000 0.952 229 L HN 0.069 nan 8.230 nan 0.000 0.452 230 A N -0.098 122.735 122.820 0.021 0.000 2.218 230 A HA 0.174 4.495 4.320 0.001 0.000 0.209 230 A C 1.143 178.774 177.584 0.078 0.000 1.168 230 A CA -0.077 51.981 52.037 0.035 0.000 0.804 230 A CB -0.259 18.754 19.000 0.021 0.000 0.834 230 A HN 0.284 nan 8.150 nan 0.000 0.482 231 I N 1.812 122.443 120.570 0.101 0.000 2.406 231 I HA 0.220 4.391 4.170 0.001 0.000 0.293 231 I C -0.485 175.775 176.117 0.239 0.000 1.101 231 I CA 0.462 61.894 61.300 0.219 0.000 1.334 231 I CB 0.006 38.068 38.000 0.103 0.000 1.421 231 I HN 0.192 nan 8.210 nan 0.000 0.513 232 L N 7.881 129.274 121.223 0.283 0.000 2.322 232 L HA 0.638 4.979 4.340 0.001 0.000 0.252 232 L C -2.394 174.543 176.870 0.111 0.000 1.055 232 L CA -1.932 53.028 54.840 0.201 0.000 0.849 232 L CB 2.396 44.496 42.059 0.069 0.000 1.446 232 L HN 0.294 nan 8.230 nan 0.000 0.416 233 P HA 0.218 nan 4.420 nan 0.000 0.276 233 P C -2.730 174.233 177.300 -0.563 0.000 1.261 233 P CA -1.545 61.059 63.100 -0.826 0.000 0.800 233 P CB -0.381 30.744 31.700 -0.958 0.000 1.066 234 P HA -0.008 nan 4.420 nan 0.000 0.262 234 P C 0.641 177.862 177.300 -0.132 0.000 1.182 234 P CA 0.468 63.280 63.100 -0.481 0.000 0.761 234 P CB 0.206 31.361 31.700 -0.907 0.000 0.795 235 S N 1.187 116.852 115.700 -0.058 0.000 2.377 235 S HA -0.066 4.405 4.470 0.001 0.000 0.223 235 S C 0.818 175.409 174.600 -0.016 0.000 1.030 235 S CA 0.969 59.163 58.200 -0.010 0.000 0.970 235 S CB -0.139 63.051 63.200 -0.016 0.000 0.830 235 S HN 0.596 nan 8.310 nan 0.000 0.473 236 D N 0.529 120.935 120.400 0.011 0.000 2.460 236 D HA 0.374 5.014 4.640 0.001 0.000 0.232 236 D C 0.940 177.308 176.300 0.113 0.000 1.079 236 D CA -0.181 53.847 54.000 0.046 0.000 0.864 236 D CB 1.334 42.166 40.800 0.053 0.000 1.048 236 D HN 0.209 nan 8.370 nan 0.000 0.523 237 G N 3.141 112.023 108.800 0.138 0.000 2.442 237 G HA2 -0.282 3.679 3.960 0.001 0.000 0.219 237 G HA3 -0.282 3.679 3.960 0.001 0.000 0.219 237 G C 1.182 176.277 174.900 0.325 0.000 1.141 237 G CA 0.622 45.905 45.100 0.305 0.000 0.763 237 G HN 0.587 nan 8.290 nan 0.000 0.554 238 E N -0.210 120.106 120.200 0.194 0.000 2.038 238 E HA -0.205 4.146 4.350 0.001 0.000 0.195 238 E C 2.566 179.259 176.600 0.155 0.000 1.000 238 E CA 1.190 57.680 56.400 0.151 0.000 0.803 238 E CB -0.079 29.679 29.700 0.096 0.000 0.750 238 E HN 0.311 nan 8.360 nan 0.000 0.448 239 Q N -0.218 119.668 119.800 0.143 0.000 2.124 239 Q HA -0.178 4.162 4.340 0.001 0.000 0.202 239 Q C 2.040 178.135 176.000 0.158 0.000 0.977 239 Q CA 1.168 57.044 55.803 0.121 0.000 0.850 239 Q CB -0.559 28.235 28.738 0.093 0.000 0.901 239 Q HN 0.374 nan 8.270 nan 0.000 0.429 240 F N 1.103 121.105 119.950 0.085 0.000 2.134 240 F HA -0.165 4.363 4.527 0.002 0.000 0.299 240 F C 1.948 177.887 175.800 0.231 0.000 1.097 240 F CA 1.111 59.170 58.000 0.100 0.000 1.264 240 F CB -0.134 38.854 39.000 -0.020 0.000 1.001 240 F HN -0.025 nan 8.300 nan 0.000 0.479 241 L N -0.656 120.723 121.223 0.260 0.000 2.217 241 L HA -0.185 4.156 4.340 0.001 0.000 0.211 241 L C 2.397 179.311 176.870 0.074 0.000 1.107 241 L CA 0.890 55.796 54.840 0.110 0.000 0.783 241 L CB -0.520 41.621 42.059 0.137 0.000 0.919 241 L HN 0.239 nan 8.230 nan 0.000 0.442 242 M N 0.207 119.887 119.600 0.134 0.000 2.156 242 M HA -0.129 4.352 4.480 0.001 0.000 0.264 242 M C 1.319 177.747 176.300 0.214 0.000 1.067 242 M CA 2.098 57.477 55.300 0.132 0.000 1.131 242 M CB -0.109 32.538 32.600 0.079 0.000 1.368 242 M HN 0.474 nan 8.290 nan 0.000 0.416 243 N N -2.800 115.971 118.700 0.119 0.000 1.895 243 N HA 0.068 4.809 4.740 0.001 0.000 0.243 243 N C 1.298 176.621 175.510 -0.312 0.000 1.350 243 N CA 0.405 53.383 53.050 -0.120 0.000 0.789 243 N CB -0.861 37.571 38.487 -0.091 0.000 1.195 243 N HN 0.103 nan 8.380 nan 0.000 0.489 244 G N 1.128 109.808 108.800 -0.200 0.000 2.469 244 G HA2 -0.346 3.615 3.960 0.001 0.000 0.220 244 G HA3 -0.346 3.615 3.960 0.001 0.000 0.220 244 G C 1.277 175.803 174.900 -0.623 0.000 1.136 244 G CA 1.369 46.300 45.100 -0.281 0.000 0.759 244 G HN 0.607 nan 8.290 nan 0.000 0.562 245 Y N 0.056 119.737 120.300 -1.031 0.000 2.465 245 Y HA 0.131 4.682 4.550 0.001 0.000 0.289 245 Y C 2.182 177.888 175.900 -0.323 0.000 1.150 245 Y CA 0.557 58.136 58.100 -0.868 0.000 1.293 245 Y CB -0.398 37.686 38.460 -0.628 0.000 0.977 245 Y HN 0.135 nan 8.280 nan 0.000 0.556 246 L N 0.793 121.466 121.223 -0.916 0.000 2.240 246 L HA -0.045 4.296 4.340 0.001 0.000 0.211 246 L C 1.598 178.315 176.870 -0.256 0.000 1.106 246 L CA 0.517 54.998 54.840 -0.599 0.000 0.793 246 L CB -0.569 41.126 42.059 -0.607 0.000 0.927 246 L HN 0.355 nan 8.230 nan 0.000 0.446 247 S N -0.673 114.907 115.700 -0.200 0.000 2.584 247 S HA -0.022 4.449 4.470 0.001 0.000 0.270 247 S C 0.973 175.566 174.600 -0.012 0.000 1.346 247 S CA -0.528 57.631 58.200 -0.068 0.000 1.018 247 S CB 1.094 64.284 63.200 -0.016 0.000 0.899 247 S HN 0.134 nan 8.310 nan 0.000 0.542 248 M N 1.874 121.502 119.600 0.046 0.000 2.149 248 M HA -0.083 4.398 4.480 0.001 0.000 0.261 248 M C 1.643 177.981 176.300 0.064 0.000 1.064 248 M CA 1.771 57.150 55.300 0.131 0.000 1.102 248 M CB -1.354 31.388 32.600 0.237 0.000 1.369 248 M HN 0.920 nan 8.290 nan 0.000 0.408 249 Y N -0.161 119.920 120.300 -0.365 0.000 2.145 249 Y HA -0.025 4.526 4.550 0.001 0.000 0.286 249 Y C 2.063 177.867 175.900 -0.160 0.000 1.145 249 Y CA 2.070 59.674 58.100 -0.826 0.000 1.148 249 Y CB -1.166 36.655 38.460 -1.065 0.000 0.981 249 Y HN 0.234 nan 8.280 nan 0.000 0.507 250 G N 0.307 108.969 108.800 -0.229 0.000 2.440 250 G HA2 -0.298 3.663 3.960 0.001 0.000 0.218 250 G HA3 -0.298 3.663 3.960 0.001 0.000 0.218 250 G C 1.643 176.603 174.900 0.099 0.000 1.154 250 G CA 1.155 46.243 45.100 -0.020 0.000 0.767 250 G HN 0.447 nan 8.290 nan 0.000 0.552 251 K N 0.114 120.566 120.400 0.087 0.000 2.211 251 K HA -0.006 4.315 4.320 0.001 0.000 0.203 251 K C 1.966 178.725 176.600 0.265 0.000 1.050 251 K CA 1.108 57.501 56.287 0.177 0.000 0.945 251 K CB 0.039 32.641 32.500 0.169 0.000 0.732 251 K HN 0.146 nan 8.250 nan 0.000 0.451 252 D N -0.202 120.387 120.400 0.314 0.000 2.120 252 D HA -0.137 4.504 4.640 0.001 0.000 0.202 252 D C 1.687 178.260 176.300 0.456 0.000 0.972 252 D CA 0.876 55.228 54.000 0.587 0.000 0.837 252 D CB -0.210 41.115 40.800 0.876 0.000 0.989 252 D HN 0.117 nan 8.370 nan 0.000 0.469 253 Y N 1.712 122.043 120.300 0.052 0.000 2.097 253 Y HA -0.171 4.379 4.550 0.001 0.000 0.282 253 Y C 2.182 178.048 175.900 -0.057 0.000 1.152 253 Y CA 1.439 59.382 58.100 -0.263 0.000 1.136 253 Y CB -0.517 37.419 38.460 -0.872 0.000 0.975 253 Y HN -0.099 nan 8.280 nan 0.000 0.498 254 L N 0.177 121.411 121.223 0.018 0.000 2.131 254 L HA -0.208 4.132 4.340 0.001 0.000 0.210 254 L C 2.541 179.449 176.870 0.062 0.000 1.092 254 L CA 1.859 56.728 54.840 0.048 0.000 0.759 254 L CB -0.597 41.596 42.059 0.224 0.000 0.903 254 L HN 0.352 nan 8.230 nan 0.000 0.435 255 E N -0.298 119.968 120.200 0.109 0.000 2.106 255 E HA -0.265 4.086 4.350 0.001 0.000 0.192 255 E C 2.098 178.661 176.600 -0.061 0.000 0.984 255 E CA 1.255 57.730 56.400 0.125 0.000 0.806 255 E CB -0.147 29.737 29.700 0.306 0.000 0.750 255 E HN 0.504 nan 8.360 nan 0.000 0.458 256 W N 0.123 121.088 121.300 -0.559 0.000 2.408 256 W HA -0.198 4.463 4.660 0.001 0.000 0.311 256 W C 1.904 178.171 176.519 -0.420 0.000 1.190 256 W CA 1.548 58.378 57.345 -0.859 0.000 1.321 256 W CB -0.797 28.013 29.460 -1.084 0.000 1.143 256 W HN 0.114 nan 8.180 nan 0.000 0.501 257 Y N 1.627 121.614 120.300 -0.522 0.000 2.040 257 Y HA -0.408 4.143 4.550 0.001 0.000 0.275 257 Y C 2.886 178.594 175.900 -0.319 0.000 1.171 257 Y CA 3.152 60.867 58.100 -0.641 0.000 1.123 257 Y CB -1.146 36.927 38.460 -0.645 0.000 0.963 257 Y HN 0.245 nan 8.280 nan 0.000 0.493 258 Q N -0.745 119.014 119.800 -0.069 0.000 2.119 258 Q HA -0.087 4.254 4.340 0.001 0.000 0.201 258 Q C 2.424 178.362 176.000 -0.104 0.000 0.972 258 Q CA 1.355 57.140 55.803 -0.030 0.000 0.847 258 Q CB -0.610 28.174 28.738 0.076 0.000 0.903 258 Q HN 0.583 nan 8.270 nan 0.000 0.433 259 G N 1.590 110.295 108.800 -0.158 0.000 2.469 259 G HA2 -0.246 3.715 3.960 0.001 0.000 0.220 259 G HA3 -0.246 3.715 3.960 0.001 0.000 0.220 259 G C 1.345 176.118 174.900 -0.211 0.000 1.136 259 G CA 0.982 45.991 45.100 -0.152 0.000 0.759 259 G HN 0.354 nan 8.290 nan 0.000 0.562 260 I N 0.920 121.259 120.570 -0.384 0.000 2.163 260 I HA -0.120 4.051 4.170 0.001 0.000 0.243 260 I C 2.843 178.824 176.117 -0.226 0.000 1.085 260 I CA 0.887 61.968 61.300 -0.364 0.000 1.347 260 I CB -1.275 36.416 38.000 -0.514 0.000 1.044 260 I HN 0.189 nan 8.210 nan 0.000 0.408 261 L N 0.171 121.256 121.223 -0.230 0.000 2.093 261 L HA -0.169 4.171 4.340 0.001 0.000 0.208 261 L C 2.497 179.365 176.870 -0.003 0.000 1.085 261 L CA 1.205 55.971 54.840 -0.125 0.000 0.755 261 L CB -0.612 41.373 42.059 -0.123 0.000 0.904 261 L HN 0.277 nan 8.230 nan 0.000 0.435 262 E N 0.158 120.353 120.200 -0.008 0.000 2.072 262 E HA -0.178 4.173 4.350 0.001 0.000 0.191 262 E C 1.941 178.539 176.600 -0.003 0.000 0.985 262 E CA 1.026 57.439 56.400 0.022 0.000 0.801 262 E CB -0.038 29.683 29.700 0.034 0.000 0.750 262 E HN 0.463 nan 8.360 nan 0.000 0.452 263 N N 0.239 118.932 118.700 -0.012 0.000 2.188 263 N HA -0.161 4.579 4.740 0.001 0.000 0.184 263 N C 1.736 177.255 175.510 0.014 0.000 1.018 263 N CA 1.022 54.071 53.050 -0.002 0.000 0.858 263 N CB -0.448 38.036 38.487 -0.006 0.000 0.989 263 N HN 0.234 nan 8.380 nan 0.000 0.426 264 H N 0.952 119.963 119.070 -0.099 0.000 2.319 264 H HA -0.027 4.530 4.556 0.001 0.000 0.299 264 H C 1.626 176.902 175.328 -0.087 0.000 1.092 264 H CA 2.100 58.087 56.048 -0.102 0.000 1.302 264 H CB -0.458 29.232 29.762 -0.120 0.000 1.373 264 H HN 0.065 nan 8.280 nan 0.000 0.497 265 T N 0.578 115.055 114.554 -0.129 0.000 2.720 265 T HA -0.151 4.199 4.350 0.001 0.000 0.268 265 T C 1.940 176.518 174.700 -0.204 0.000 1.037 265 T CA 1.838 63.780 62.100 -0.263 0.000 1.144 265 T CB -0.095 68.565 68.868 -0.347 0.000 0.864 265 T HN 0.384 nan 8.240 nan 0.000 0.444 266 K N 0.262 120.591 120.400 -0.117 0.000 2.097 266 K HA 0.019 4.340 4.320 0.001 0.000 0.205 266 K C 2.163 178.734 176.600 -0.049 0.000 1.050 266 K CA 0.734 56.982 56.287 -0.065 0.000 0.938 266 K CB -0.304 32.178 32.500 -0.030 0.000 0.718 266 K HN 0.134 nan 8.250 nan 0.000 0.442 267 L N 1.985 123.167 121.223 -0.067 0.000 1.976 267 L HA -0.134 4.207 4.340 0.001 0.000 0.209 267 L C 2.037 178.872 176.870 -0.057 0.000 1.071 267 L CA 1.529 56.333 54.840 -0.059 0.000 0.746 267 L CB -0.511 41.509 42.059 -0.066 0.000 0.890 267 L HN 0.253 nan 8.230 nan 0.000 0.432 268 I N -2.912 117.584 120.570 -0.123 0.000 2.361 268 I HA -0.021 4.150 4.170 0.001 0.000 0.251 268 I C 2.216 178.389 176.117 0.094 0.000 1.133 268 I CA 1.379 62.681 61.300 0.003 0.000 1.413 268 I CB -1.438 36.532 38.000 -0.051 0.000 1.073 268 I HN 0.252 nan 8.210 nan 0.000 0.424 269 G N 0.964 109.776 108.800 0.019 0.000 2.408 269 G HA2 -0.239 3.722 3.960 0.001 0.000 0.217 269 G HA3 -0.239 3.722 3.960 0.001 0.000 0.217 269 G C 1.586 176.613 174.900 0.211 0.000 1.150 269 G CA 0.798 45.957 45.100 0.097 0.000 0.776 269 G HN 0.601 nan 8.290 nan 0.000 0.542 270 E N 0.214 120.488 120.200 0.123 0.000 2.031 270 E HA -0.086 4.265 4.350 0.001 0.000 0.193 270 E C 2.529 179.199 176.600 0.117 0.000 0.994 270 E CA 0.675 57.141 56.400 0.110 0.000 0.800 270 E CB -0.212 29.516 29.700 0.046 0.000 0.752 270 E HN 0.444 nan 8.360 nan 0.000 0.447 271 L N 0.523 121.811 121.223 0.108 0.000 2.017 271 L HA -0.169 4.171 4.340 0.001 0.000 0.208 271 L C 2.794 179.776 176.870 0.187 0.000 1.073 271 L CA 1.169 56.081 54.840 0.120 0.000 0.745 271 L CB -0.601 41.503 42.059 0.074 0.000 0.894 271 L HN 0.201 nan 8.230 nan 0.000 0.432 272 A N -0.771 122.191 122.820 0.237 0.000 1.877 272 A HA -0.235 4.086 4.320 0.001 0.000 0.216 272 A C 2.174 179.714 177.584 -0.073 0.000 1.186 272 A CA 1.506 53.544 52.037 0.001 0.000 0.620 272 A CB -0.861 18.100 19.000 -0.065 0.000 0.822 272 A HN 0.422 nan 8.150 nan 0.000 0.443 273 H N -0.067 119.044 119.070 0.069 0.000 2.387 273 H HA -0.087 4.470 4.556 0.001 0.000 0.299 273 H C 1.927 177.266 175.328 0.017 0.000 1.090 273 H CA 1.638 57.726 56.048 0.066 0.000 1.332 273 H CB -0.167 29.624 29.762 0.048 0.000 1.386 273 H HN 0.436 nan 8.280 nan 0.000 0.516 274 N N 0.703 119.459 118.700 0.094 0.000 2.120 274 N HA -0.096 4.644 4.740 0.001 0.000 0.188 274 N C 2.055 177.531 175.510 -0.056 0.000 1.024 274 N CA 1.271 54.336 53.050 0.024 0.000 0.852 274 N CB -0.341 38.153 38.487 0.012 0.000 1.003 274 N HN 0.325 nan 8.380 nan 0.000 0.424 275 A N -0.550 122.150 122.820 -0.200 0.000 1.970 275 A HA 0.069 4.390 4.320 0.001 0.000 0.216 275 A C 1.621 178.983 177.584 -0.369 0.000 1.170 275 A CA 0.806 52.604 52.037 -0.398 0.000 0.645 275 A CB -0.442 18.144 19.000 -0.689 0.000 0.816 275 A HN 0.291 nan 8.150 nan 0.000 0.447 276 F N -1.000 119.018 119.950 0.114 0.000 2.694 276 F HA 0.095 4.623 4.527 0.001 0.000 0.292 276 F C 1.701 177.609 175.800 0.179 0.000 1.121 276 F CA -0.137 57.988 58.000 0.209 0.000 1.352 276 F CB 0.107 39.187 39.000 0.134 0.000 1.107 276 F HN 0.034 nan 8.300 nan 0.000 0.597 277 D N 0.867 121.425 120.400 0.264 0.000 2.103 277 D HA -0.183 4.457 4.640 0.001 0.000 0.190 277 D C 2.377 178.750 176.300 0.122 0.000 0.997 277 D CA 2.545 56.666 54.000 0.202 0.000 0.833 277 D CB -0.826 40.088 40.800 0.190 0.000 0.961 277 D HN 0.252 nan 8.370 nan 0.000 0.447 278 T N -1.850 112.742 114.554 0.064 0.000 2.821 278 T HA -0.099 4.252 4.350 0.001 0.000 0.267 278 T C 2.025 176.695 174.700 -0.049 0.000 1.046 278 T CA 1.791 63.895 62.100 0.006 0.000 1.139 278 T CB -0.755 68.104 68.868 -0.014 0.000 0.871 278 T HN 0.035 nan 8.240 nan 0.000 0.454 279 T N 1.171 115.661 114.554 -0.106 0.000 2.770 279 T HA 0.181 4.532 4.350 0.001 0.000 0.258 279 T C 1.499 175.952 174.700 -0.412 0.000 1.039 279 T CA 0.985 62.878 62.100 -0.345 0.000 1.143 279 T CB -0.435 68.068 68.868 -0.609 0.000 0.866 279 T HN 0.437 nan 8.240 nan 0.000 0.428 280 F N 0.940 120.926 119.950 0.061 0.000 2.317 280 F HA 0.212 4.740 4.527 0.001 0.000 0.290 280 F C 1.083 176.900 175.800 0.028 0.000 1.075 280 F CA -0.224 57.797 58.000 0.035 0.000 1.380 280 F CB -0.425 38.589 39.000 0.022 0.000 1.093 280 F HN 0.007 nan 8.300 nan 0.000 0.524 281 Q N 0.693 120.621 119.800 0.212 0.000 2.463 281 Q HA -0.140 4.201 4.340 0.001 0.000 0.299 281 Q C -0.897 175.173 176.000 0.117 0.000 1.353 281 Q CA 0.298 56.182 55.803 0.135 0.000 0.828 281 Q CB -2.162 26.626 28.738 0.085 0.000 1.157 281 Q HN 0.356 nan 8.270 nan 0.000 0.436 282 V N -4.732 115.249 119.914 0.111 0.000 3.074 282 V HA 0.854 4.975 4.120 0.001 0.000 0.314 282 V C -2.460 173.630 176.094 -0.007 0.000 1.117 282 V CA -2.701 59.622 62.300 0.038 0.000 1.014 282 V CB 1.802 33.619 31.823 -0.010 0.000 1.057 282 V HN -0.068 nan 8.190 nan 0.000 0.438 283 P HA 0.467 nan 4.420 nan 0.000 0.269 283 P C -0.854 176.349 177.300 -0.162 0.000 1.209 283 P CA 0.178 63.242 63.100 -0.061 0.000 0.776 283 P CB 0.329 31.987 31.700 -0.070 0.000 0.876 284 I N 1.411 121.888 120.570 -0.155 0.000 2.465 284 I HA 0.593 4.763 4.170 0.001 0.000 0.291 284 I C 0.649 176.644 176.117 -0.203 0.000 1.014 284 I CA -0.305 60.842 61.300 -0.254 0.000 1.093 284 I CB 2.197 40.004 38.000 -0.322 0.000 1.267 284 I HN 0.376 nan 8.210 nan 0.000 0.431 285 G N 3.636 112.249 108.800 -0.312 0.000 2.630 285 G HA2 0.889 4.850 3.960 0.001 0.000 0.296 285 G HA3 0.889 4.850 3.960 0.001 0.000 0.296 285 G C -1.636 173.287 174.900 0.039 0.000 1.285 285 G CA -0.621 44.365 45.100 -0.189 0.000 0.958 285 G HN 0.780 nan 8.290 nan 0.000 0.479 286 A N -0.038 122.958 122.820 0.293 0.000 2.532 286 A HA 0.902 5.223 4.320 0.001 0.000 0.290 286 A C -0.748 177.135 177.584 0.499 0.000 1.143 286 A CA -0.799 51.482 52.037 0.406 0.000 0.728 286 A CB 1.769 20.960 19.000 0.319 0.000 1.317 286 A HN 0.596 nan 8.150 nan 0.000 0.414 287 K N 0.207 120.840 120.400 0.389 0.000 2.318 287 K HA 0.725 5.046 4.320 0.001 0.000 0.249 287 K C -1.461 175.312 176.600 0.287 0.000 0.942 287 K CA -0.343 56.112 56.287 0.281 0.000 0.808 287 K CB 2.362 34.940 32.500 0.130 0.000 1.189 287 K HN 0.545 nan 8.250 nan 0.000 0.428 288 I N 2.011 122.710 120.570 0.214 0.000 2.389 288 I HA 0.300 4.470 4.170 0.001 0.000 0.288 288 I C -0.159 176.040 176.117 0.137 0.000 0.999 288 I CA -0.888 60.545 61.300 0.222 0.000 1.129 288 I CB 1.880 39.953 38.000 0.121 0.000 1.288 288 I HN 0.691 nan 8.210 nan 0.000 0.444 289 A N 4.301 127.263 122.820 0.236 0.000 2.371 289 A HA 0.565 4.886 4.320 0.001 0.000 0.257 289 A C 0.630 178.214 177.584 0.002 0.000 1.089 289 A CA -0.254 51.861 52.037 0.130 0.000 0.794 289 A CB 0.369 19.577 19.000 0.346 0.000 1.029 289 A HN 0.894 nan 8.150 nan 0.000 0.488 290 G N 0.961 109.592 108.800 -0.281 0.000 2.663 290 G HA2 0.465 4.425 3.960 0.001 0.000 0.320 290 G HA3 0.465 4.425 3.960 0.001 0.000 0.320 290 G C -0.376 174.588 174.900 0.107 0.000 0.937 290 G CA -0.203 44.782 45.100 -0.191 0.000 1.332 290 G HN 0.692 nan 8.290 nan 0.000 0.461 291 V N 3.978 123.934 119.914 0.069 0.000 2.221 291 V HA 0.109 4.230 4.120 0.001 0.000 0.258 291 V C 1.048 176.957 176.094 -0.309 0.000 1.179 291 V CA -0.511 61.520 62.300 -0.449 0.000 1.022 291 V CB -0.715 30.823 31.823 -0.476 0.000 1.228 291 V HN 0.951 nan 8.190 nan 0.000 0.487 292 H N 0.863 119.952 119.070 0.032 0.000 2.548 292 H HA 0.077 4.634 4.556 0.001 0.000 0.268 292 H C 0.653 176.186 175.328 0.342 0.000 0.975 292 H CA -0.442 55.736 56.048 0.217 0.000 1.195 292 H CB -0.169 29.723 29.762 0.216 0.000 1.397 292 H HN 0.654 nan 8.280 nan 0.000 0.572 293 W N 0.493 121.757 121.300 -0.061 0.000 2.215 293 W HA 0.390 5.050 4.660 0.001 0.000 0.342 293 W C 0.034 176.656 176.519 0.171 0.000 1.237 293 W CA -1.106 56.318 57.345 0.133 0.000 1.283 293 W CB 0.888 30.411 29.460 0.106 0.000 1.131 293 W HN -0.034 nan 8.180 nan 0.000 0.606 294 Q N 0.135 120.160 119.800 0.375 0.000 2.452 294 Q HA -0.355 3.986 4.340 0.001 0.000 0.248 294 Q C 0.557 176.623 176.000 0.111 0.000 0.874 294 Q CA 1.717 57.647 55.803 0.210 0.000 1.208 294 Q CB -2.824 25.968 28.738 0.090 0.000 1.569 294 Q HN 0.927 nan 8.270 nan 0.000 0.579 295 Y N 2.300 122.665 120.300 0.108 0.000 2.070 295 Y HA -0.169 4.382 4.550 0.001 0.000 0.279 295 Y C 1.683 177.482 175.900 -0.168 0.000 1.134 295 Y CA 2.338 60.488 58.100 0.085 0.000 1.113 295 Y CB 0.064 38.650 38.460 0.209 0.000 0.981 295 Y HN 0.438 nan 8.280 nan 0.000 0.487 296 N N 0.587 119.433 118.700 0.243 0.000 2.451 296 N HA -0.028 4.712 4.740 0.001 0.000 0.264 296 N C -0.908 174.465 175.510 -0.229 0.000 1.167 296 N CA -0.068 53.010 53.050 0.046 0.000 0.898 296 N CB -0.936 37.716 38.487 0.275 0.000 1.176 296 N HN 0.305 nan 8.380 nan 0.000 0.507 297 N N 2.291 120.706 118.700 -0.475 0.000 2.513 297 N HA 0.081 4.821 4.740 0.001 0.000 0.268 297 N C -1.357 173.873 175.510 -0.467 0.000 1.180 297 N CA -1.079 51.442 53.050 -0.882 0.000 0.948 297 N CB 1.651 39.760 38.487 -0.630 0.000 1.083 297 N HN 0.073 nan 8.380 nan 0.000 0.455 298 P HA -0.096 nan 4.420 nan 0.000 0.216 298 P C 1.107 178.338 177.300 -0.115 0.000 1.153 298 P CA 1.638 64.636 63.100 -0.170 0.000 0.844 298 P CB 0.084 31.729 31.700 -0.092 0.000 0.787 299 T N -1.254 113.237 114.554 -0.106 0.000 2.939 299 T HA 0.048 4.399 4.350 0.001 0.000 0.254 299 T C 1.419 176.091 174.700 -0.046 0.000 1.041 299 T CA 0.317 62.390 62.100 -0.046 0.000 1.142 299 T CB -0.906 67.954 68.868 -0.012 0.000 0.874 299 T HN 0.206 nan 8.240 nan 0.000 0.452 300 I N 0.752 121.267 120.570 -0.091 0.000 2.620 300 I HA 0.481 4.652 4.170 0.001 0.000 0.280 300 I C -2.954 173.050 176.117 -0.190 0.000 1.143 300 I CA -3.004 58.239 61.300 -0.096 0.000 1.163 300 I CB 1.191 39.169 38.000 -0.036 0.000 1.461 300 I HN -0.135 nan 8.210 nan 0.000 0.530 301 P HA -0.021 nan 4.420 nan 0.000 0.266 301 P C -0.258 176.815 177.300 -0.379 0.000 1.215 301 P CA 0.738 63.595 63.100 -0.406 0.000 0.763 301 P CB 0.142 31.619 31.700 -0.372 0.000 0.806 302 H N 1.702 120.633 119.070 -0.231 0.000 2.826 302 H HA -0.129 4.428 4.556 0.002 0.000 0.306 302 H C 1.513 176.735 175.328 -0.178 0.000 1.235 302 H CA 0.931 56.852 56.048 -0.213 0.000 1.150 302 H CB -2.268 27.347 29.762 -0.244 0.000 1.409 302 H HN 0.705 nan 8.280 nan 0.000 0.420 303 G N -0.439 108.311 108.800 -0.083 0.000 2.586 303 G HA2 0.045 4.006 3.960 0.001 0.000 0.215 303 G HA3 0.045 4.006 3.960 0.001 0.000 0.215 303 G C 1.438 176.269 174.900 -0.115 0.000 1.128 303 G CA 0.989 46.044 45.100 -0.075 0.000 0.774 303 G HN 0.627 nan 8.290 nan 0.000 0.543 304 A N 0.225 122.933 122.820 -0.187 0.000 1.984 304 A HA 0.356 4.677 4.320 0.001 0.000 0.203 304 A C 1.980 179.395 177.584 -0.283 0.000 1.292 304 A CA 1.052 52.871 52.037 -0.363 0.000 0.782 304 A CB 0.165 18.602 19.000 -0.937 0.000 0.924 304 A HN 0.285 nan 8.150 nan 0.000 0.475 305 E N 0.791 120.899 120.200 -0.153 0.000 2.047 305 E HA -0.136 4.215 4.350 0.001 0.000 0.191 305 E C 1.873 178.448 176.600 -0.042 0.000 0.987 305 E CA 1.472 57.868 56.400 -0.006 0.000 0.799 305 E CB -0.146 29.613 29.700 0.098 0.000 0.752 305 E HN 0.511 nan 8.360 nan 0.000 0.449 306 K N 0.069 120.434 120.400 -0.059 0.000 2.032 306 K HA -0.135 4.186 4.320 0.001 0.000 0.209 306 K C -0.769 175.756 176.600 -0.124 0.000 1.048 306 K CA 1.536 57.811 56.287 -0.020 0.000 0.927 306 K CB -0.876 31.659 32.500 0.057 0.000 0.712 306 K HN 0.098 nan 8.250 nan 0.000 0.441 307 P HA -0.082 nan 4.420 nan 0.000 0.223 307 P C 0.561 177.790 177.300 -0.119 0.000 1.151 307 P CA 1.104 63.820 63.100 -0.639 0.000 0.787 307 P CB 0.142 31.451 31.700 -0.652 0.000 0.788 308 A N -0.883 121.880 122.820 -0.094 0.000 2.167 308 A HA 0.376 4.697 4.320 0.001 0.000 0.214 308 A C 1.755 179.222 177.584 -0.195 0.000 1.151 308 A CA 1.133 53.097 52.037 -0.121 0.000 0.735 308 A CB -1.155 17.716 19.000 -0.214 0.000 0.802 308 A HN 0.255 nan 8.150 nan 0.000 0.467 309 G N -2.690 106.104 108.800 -0.010 0.000 2.179 309 G HA2 -0.212 3.749 3.960 0.001 0.000 0.220 309 G HA3 -0.212 3.749 3.960 0.001 0.000 0.220 309 G C -0.202 174.706 174.900 0.013 0.000 0.990 309 G CA 0.078 45.219 45.100 0.068 0.000 0.646 309 G HN 0.364 nan 8.290 nan 0.000 0.517 310 Y N 1.894 122.202 120.300 0.014 0.000 2.751 310 Y HA 0.439 4.990 4.550 0.001 0.000 0.333 310 Y C 1.170 176.873 175.900 -0.329 0.000 1.122 310 Y CA -1.225 56.734 58.100 -0.235 0.000 1.367 310 Y CB 0.126 38.409 38.460 -0.295 0.000 1.242 310 Y HN 0.284 nan 8.280 nan 0.000 0.505 311 N N 0.982 119.638 118.700 -0.074 0.000 2.436 311 N HA -0.085 4.656 4.740 0.001 0.000 0.178 311 N C -0.670 174.740 175.510 -0.166 0.000 1.026 311 N CA 0.553 53.555 53.050 -0.081 0.000 0.880 311 N CB 0.596 39.120 38.487 0.063 0.000 1.061 311 N HN 0.442 nan 8.380 nan 0.000 0.434 312 D N -0.340 119.970 120.400 -0.150 0.000 2.402 312 D HA 0.108 4.748 4.640 0.001 0.000 0.252 312 D C 0.102 176.327 176.300 -0.125 0.000 1.294 312 D CA -0.545 53.371 54.000 -0.140 0.000 0.948 312 D CB 0.333 41.079 40.800 -0.090 0.000 1.202 312 D HN 0.056 nan 8.370 nan 0.000 0.561 313 Y N 1.600 121.882 120.300 -0.030 0.000 2.274 313 Y HA -0.201 4.350 4.550 0.001 0.000 0.290 313 Y C 2.638 178.522 175.900 -0.027 0.000 1.145 313 Y CA 1.299 59.372 58.100 -0.046 0.000 1.203 313 Y CB 0.094 38.484 38.460 -0.116 0.000 0.984 313 Y HN 0.363 nan 8.280 nan 0.000 0.533 314 S N -0.745 115.005 115.700 0.083 0.000 2.370 314 S HA -0.234 4.237 4.470 0.001 0.000 0.226 314 S C 1.870 176.550 174.600 0.134 0.000 1.033 314 S CA 1.598 59.826 58.200 0.046 0.000 1.011 314 S CB -0.326 62.845 63.200 -0.048 0.000 0.852 314 S HN 0.466 nan 8.310 nan 0.000 0.457 315 H N 0.569 119.694 119.070 0.091 0.000 2.357 315 H HA 0.058 4.614 4.556 0.001 0.000 0.301 315 H C 2.076 177.480 175.328 0.128 0.000 1.082 315 H CA 1.353 57.459 56.048 0.098 0.000 1.342 315 H CB -0.960 28.854 29.762 0.087 0.000 1.389 315 H HN 0.318 nan 8.280 nan 0.000 0.511 316 L N 0.618 122.002 121.223 0.269 0.000 2.013 316 L HA -0.171 4.170 4.340 0.001 0.000 0.212 316 L C 2.327 179.404 176.870 0.345 0.000 1.073 316 L CA 1.369 56.379 54.840 0.284 0.000 0.753 316 L CB -0.787 41.425 42.059 0.255 0.000 0.890 316 L HN 0.173 nan 8.230 nan 0.000 0.432 317 L N -1.081 120.277 121.223 0.225 0.000 2.131 317 L HA -0.212 4.129 4.340 0.001 0.000 0.210 317 L C 2.180 179.195 176.870 0.241 0.000 1.092 317 L CA 1.061 56.003 54.840 0.169 0.000 0.759 317 L CB -0.811 41.268 42.059 0.033 0.000 0.903 317 L HN 0.301 nan 8.230 nan 0.000 0.435 318 D N 0.369 120.896 120.400 0.212 0.000 2.149 318 D HA -0.183 4.458 4.640 0.001 0.000 0.198 318 D C 2.210 178.616 176.300 0.177 0.000 0.990 318 D CA 1.513 55.619 54.000 0.177 0.000 0.839 318 D CB 0.064 40.967 40.800 0.171 0.000 0.948 318 D HN 0.337 nan 8.370 nan 0.000 0.460 319 A N 0.065 123.011 122.820 0.210 0.000 1.933 319 A HA -0.150 4.171 4.320 0.001 0.000 0.218 319 A C 2.008 179.659 177.584 0.111 0.000 1.175 319 A CA 0.897 53.016 52.037 0.137 0.000 0.628 319 A CB -0.815 18.253 19.000 0.114 0.000 0.814 319 A HN 0.120 nan 8.150 nan 0.000 0.444 320 F N 0.013 120.005 119.950 0.070 0.000 2.146 320 F HA -0.070 4.457 4.527 0.001 0.000 0.298 320 F C 2.259 178.093 175.800 0.058 0.000 1.096 320 F CA 1.798 59.840 58.000 0.069 0.000 1.275 320 F CB -0.269 38.774 39.000 0.071 0.000 1.008 320 F HN 0.137 nan 8.300 nan 0.000 0.480 321 K N 0.927 121.475 120.400 0.248 0.000 2.032 321 K HA -0.169 4.152 4.320 0.001 0.000 0.209 321 K C 2.202 178.854 176.600 0.087 0.000 1.048 321 K CA 2.072 58.444 56.287 0.142 0.000 0.927 321 K CB -0.655 31.913 32.500 0.114 0.000 0.712 321 K HN 0.257 nan 8.250 nan 0.000 0.441 322 S N -0.184 115.561 115.700 0.074 0.000 2.368 322 S HA -0.046 4.425 4.470 0.001 0.000 0.224 322 S C 2.196 176.802 174.600 0.009 0.000 1.029 322 S CA 0.871 59.091 58.200 0.034 0.000 0.988 322 S CB -0.620 62.599 63.200 0.032 0.000 0.838 322 S HN 0.341 nan 8.310 nan 0.000 0.462 323 A N 1.514 124.341 122.820 0.012 0.000 2.168 323 A HA 0.168 4.488 4.320 0.001 0.000 0.215 323 A C 0.868 178.481 177.584 0.048 0.000 1.152 323 A CA 0.555 52.596 52.037 0.006 0.000 0.716 323 A CB -0.690 18.282 19.000 -0.046 0.000 0.794 323 A HN 0.558 nan 8.150 nan 0.000 0.465 324 K N -1.392 119.039 120.400 0.052 0.000 3.162 324 K HA -0.142 4.178 4.320 0.001 0.000 0.268 324 K C -1.045 175.709 176.600 0.256 0.000 1.062 324 K CA 0.597 56.931 56.287 0.078 0.000 0.769 324 K CB -2.139 30.267 32.500 -0.156 0.000 1.274 324 K HN 0.499 nan 8.250 nan 0.000 0.478 325 L N 0.812 122.156 121.223 0.201 0.000 2.346 325 L HA 0.385 4.726 4.340 0.001 0.000 0.276 325 L C 0.281 177.308 176.870 0.261 0.000 1.006 325 L CA -1.142 53.816 54.840 0.196 0.000 0.817 325 L CB 1.536 43.654 42.059 0.098 0.000 1.272 325 L HN 0.004 nan 8.230 nan 0.000 0.421 326 D N 1.355 121.854 120.400 0.165 0.000 2.313 326 D HA 0.296 4.936 4.640 0.001 0.000 0.247 326 D C -0.477 175.940 176.300 0.194 0.000 1.094 326 D CA -0.033 54.043 54.000 0.128 0.000 0.925 326 D CB 2.461 43.281 40.800 0.033 0.000 1.188 326 D HN 0.068 nan 8.370 nan 0.000 0.430 327 V N 1.212 121.183 119.914 0.095 0.000 2.581 327 V HA 0.503 4.623 4.120 0.001 0.000 0.303 327 V C -0.534 175.616 176.094 0.093 0.000 1.041 327 V CA -0.111 62.196 62.300 0.011 0.000 0.907 327 V CB 1.943 33.548 31.823 -0.364 0.000 0.994 327 V HN 0.548 nan 8.190 nan 0.000 0.442 328 T N 7.024 121.690 114.554 0.187 0.000 2.824 328 T HA 0.552 4.902 4.350 0.001 0.000 0.282 328 T C -1.255 173.605 174.700 0.266 0.000 0.993 328 T CA -0.060 62.202 62.100 0.270 0.000 0.967 328 T CB 1.140 70.225 68.868 0.361 0.000 0.960 328 T HN 0.528 nan 8.240 nan 0.000 0.441 329 F N 2.949 122.982 119.950 0.138 0.000 2.508 329 F HA 0.610 5.138 4.527 0.001 0.000 0.325 329 F C 0.645 176.521 175.800 0.126 0.000 1.090 329 F CA -0.623 57.434 58.000 0.095 0.000 0.945 329 F CB 1.547 40.587 39.000 0.066 0.000 1.156 329 F HN 0.626 nan 8.300 nan 0.000 0.463 330 T N -0.013 114.154 114.554 -0.644 0.000 2.897 330 T HA 0.370 4.721 4.350 0.001 0.000 0.278 330 T C 0.395 174.844 174.700 -0.418 0.000 0.981 330 T CA 0.033 61.904 62.100 -0.381 0.000 0.973 330 T CB 1.082 69.793 68.868 -0.262 0.000 1.092 330 T HN 1.029 nan 8.240 nan 0.000 0.543 331 C N -0.177 119.041 119.300 -0.135 0.000 4.761 331 C HA -0.113 4.348 4.460 0.001 0.000 0.250 331 C C 1.965 176.952 174.990 -0.005 0.000 1.232 331 C CA 0.212 59.196 59.018 -0.057 0.000 1.596 331 C CB -2.883 24.828 27.740 -0.049 0.000 1.604 331 C HN 0.921 nan 8.230 nan 0.000 0.685 332 L N 1.395 122.639 121.223 0.035 0.000 2.349 332 L HA -0.148 4.193 4.340 0.001 0.000 0.220 332 L C 2.556 179.381 176.870 -0.074 0.000 1.130 332 L CA 2.224 57.047 54.840 -0.028 0.000 0.791 332 L CB -0.315 41.698 42.059 -0.076 0.000 0.918 332 L HN 0.702 nan 8.230 nan 0.000 0.444 333 E N -0.099 120.085 120.200 -0.027 0.000 2.478 333 E HA -0.024 4.327 4.350 0.001 0.000 0.194 333 E C 0.746 177.307 176.600 -0.065 0.000 1.045 333 E CA 0.090 56.465 56.400 -0.041 0.000 0.868 333 E CB 0.193 29.903 29.700 0.016 0.000 0.885 333 E HN 0.414 nan 8.360 nan 0.000 0.505 334 M N 1.113 120.661 119.600 -0.087 0.000 2.494 334 M HA 0.306 4.787 4.480 0.001 0.000 0.300 334 M C 0.112 176.352 176.300 -0.101 0.000 1.189 334 M CA -0.498 54.734 55.300 -0.114 0.000 0.982 334 M CB 1.868 34.351 32.600 -0.196 0.000 1.534 334 M HN -0.093 nan 8.290 nan 0.000 0.488 335 T N -3.026 111.473 114.554 -0.093 0.000 2.916 335 T HA 0.420 4.771 4.350 0.001 0.000 0.292 335 T C -0.782 173.879 174.700 -0.065 0.000 1.055 335 T CA -1.197 60.864 62.100 -0.066 0.000 1.009 335 T CB 1.275 70.119 68.868 -0.040 0.000 1.118 335 T HN 0.447 nan 8.240 nan 0.000 0.497 336 D N 1.090 121.461 120.400 -0.048 0.000 2.443 336 D HA 0.164 4.804 4.640 0.001 0.000 0.239 336 D C 0.586 176.883 176.300 -0.004 0.000 1.136 336 D CA 0.014 53.994 54.000 -0.034 0.000 0.879 336 D CB 1.671 42.455 40.800 -0.027 0.000 1.195 336 D HN 0.648 nan 8.370 nan 0.000 0.443 337 K N 0.505 120.917 120.400 0.021 0.000 2.431 337 K HA 0.120 4.440 4.320 0.001 0.000 0.213 337 K C 1.006 177.639 176.600 0.055 0.000 1.258 337 K CA 0.524 56.831 56.287 0.033 0.000 0.845 337 K CB 0.244 32.770 32.500 0.043 0.000 1.498 337 K HN 0.533 nan 8.250 nan 0.000 0.451 338 G N 2.177 111.035 108.800 0.096 0.000 2.203 338 G HA2 -0.271 3.690 3.960 0.001 0.000 0.263 338 G HA3 -0.271 3.690 3.960 0.001 0.000 0.263 338 G C -0.024 174.961 174.900 0.143 0.000 1.012 338 G CA 0.896 46.095 45.100 0.166 0.000 0.749 338 G HN 0.546 nan 8.290 nan 0.000 0.512 339 S N -1.514 114.170 115.700 -0.027 0.000 2.798 339 S HA 0.734 5.205 4.470 0.001 0.000 0.312 339 S C -0.183 174.051 174.600 -0.610 0.000 1.122 339 S CA -0.958 57.154 58.200 -0.145 0.000 0.949 339 S CB 1.802 64.975 63.200 -0.046 0.000 1.235 339 S HN 1.018 nan 8.310 nan 0.000 0.552 340 Y N 2.616 122.560 120.300 -0.593 0.000 2.346 340 Y HA 0.441 4.993 4.550 0.002 0.000 0.330 340 Y C -1.568 174.129 175.900 -0.339 0.000 1.178 340 Y CA -1.503 56.207 58.100 -0.650 0.000 1.331 340 Y CB 1.118 39.445 38.460 -0.222 0.000 1.253 340 Y HN 0.532 nan 8.280 nan 0.000 0.529 341 P HA 0.110 nan 4.420 nan 0.000 0.264 341 P C 0.082 177.011 177.300 -0.619 0.000 1.259 341 P CA 0.539 62.849 63.100 -1.316 0.000 0.841 341 P CB 0.679 31.554 31.700 -1.375 0.000 1.232 342 E N -0.212 119.720 120.200 -0.447 0.000 2.072 342 E HA -0.079 4.271 4.350 0.001 0.000 0.190 342 E C -0.082 176.590 176.600 0.120 0.000 0.982 342 E CA 0.543 56.857 56.400 -0.144 0.000 0.803 342 E CB -0.969 28.705 29.700 -0.044 0.000 0.755 342 E HN 0.182 nan 8.360 nan 0.000 0.453 343 Y N 0.202 120.567 120.300 0.109 0.000 3.389 343 Y HA -0.244 4.306 4.550 0.001 0.000 0.213 343 Y C -0.443 175.604 175.900 0.245 0.000 1.272 343 Y CA 0.165 58.362 58.100 0.162 0.000 1.444 343 Y CB -2.341 36.205 38.460 0.143 0.000 1.445 343 Y HN -0.158 nan 8.280 nan 0.000 0.583 344 S N 2.034 117.927 115.700 0.323 0.000 2.481 344 S HA 0.420 4.891 4.470 0.001 0.000 0.276 344 S C 0.637 175.350 174.600 0.189 0.000 1.247 344 S CA -0.420 58.012 58.200 0.387 0.000 1.053 344 S CB 0.446 63.890 63.200 0.407 0.000 0.925 344 S HN 0.269 nan 8.310 nan 0.000 0.491 345 M N 4.715 124.371 119.600 0.093 0.000 3.124 345 M HA 0.261 4.742 4.480 0.001 0.000 0.298 345 M C -2.401 173.771 176.300 -0.213 0.000 1.403 345 M CA -2.176 53.012 55.300 -0.186 0.000 0.651 345 M CB 0.224 32.480 32.600 -0.575 0.000 1.412 345 M HN 0.217 nan 8.290 nan 0.000 0.477 346 P HA -0.147 nan 4.420 nan 0.000 0.215 346 P C 1.564 178.816 177.300 -0.080 0.000 1.157 346 P CA 1.374 64.418 63.100 -0.094 0.000 0.863 346 P CB 0.336 31.860 31.700 -0.294 0.000 0.787 347 K N -0.405 119.929 120.400 -0.110 0.000 2.032 347 K HA -0.118 4.202 4.320 0.001 0.000 0.209 347 K C 1.892 178.410 176.600 -0.137 0.000 1.048 347 K CA 2.238 58.461 56.287 -0.105 0.000 0.927 347 K CB -1.366 31.087 32.500 -0.078 0.000 0.712 347 K HN 0.011 nan 8.250 nan 0.000 0.441 348 T N 1.362 115.818 114.554 -0.162 0.000 2.746 348 T HA -0.115 4.236 4.350 0.001 0.000 0.267 348 T C 1.734 176.322 174.700 -0.187 0.000 1.039 348 T CA 1.342 63.342 62.100 -0.167 0.000 1.142 348 T CB -0.275 68.469 68.868 -0.207 0.000 0.866 348 T HN 0.157 nan 8.240 nan 0.000 0.444 349 L N 0.932 122.016 121.223 -0.232 0.000 2.012 349 L HA -0.146 4.195 4.340 0.001 0.000 0.210 349 L C 2.575 179.247 176.870 -0.330 0.000 1.073 349 L CA 1.332 56.063 54.840 -0.181 0.000 0.748 349 L CB -0.422 41.636 42.059 -0.003 0.000 0.891 349 L HN 0.148 nan 8.230 nan 0.000 0.431 350 V N -0.335 119.453 119.914 -0.210 0.000 2.255 350 V HA -0.358 3.763 4.120 0.001 0.000 0.247 350 V C 2.405 178.283 176.094 -0.359 0.000 1.051 350 V CA 2.059 64.198 62.300 -0.269 0.000 1.018 350 V CB -0.723 31.080 31.823 -0.033 0.000 0.641 350 V HN 0.550 nan 8.190 nan 0.000 0.445 351 Q N -0.057 119.525 119.800 -0.362 0.000 2.135 351 Q HA -0.252 4.089 4.340 0.001 0.000 0.204 351 Q C 2.250 178.122 176.000 -0.213 0.000 0.981 351 Q CA 1.735 57.291 55.803 -0.411 0.000 0.856 351 Q CB -0.391 28.175 28.738 -0.287 0.000 0.902 351 Q HN 0.688 nan 8.270 nan 0.000 0.425 352 N N 1.033 119.603 118.700 -0.217 0.000 2.058 352 N HA -0.158 4.583 4.740 0.001 0.000 0.191 352 N C 1.583 176.928 175.510 -0.274 0.000 1.037 352 N CA 1.308 54.246 53.050 -0.185 0.000 0.848 352 N CB -0.101 38.283 38.487 -0.172 0.000 1.021 352 N HN 0.100 nan 8.380 nan 0.000 0.422 353 I N 1.207 121.490 120.570 -0.480 0.000 2.142 353 I HA -0.165 4.006 4.170 0.001 0.000 0.240 353 I C 2.429 178.340 176.117 -0.343 0.000 1.078 353 I CA 1.207 62.183 61.300 -0.541 0.000 1.343 353 I CB -1.930 35.497 38.000 -0.956 0.000 1.046 353 I HN 0.186 nan 8.210 nan 0.000 0.405 354 A N 0.694 123.337 122.820 -0.295 0.000 1.903 354 A HA -0.273 4.048 4.320 0.001 0.000 0.219 354 A C 2.462 179.993 177.584 -0.088 0.000 1.191 354 A CA 2.916 54.840 52.037 -0.189 0.000 0.638 354 A CB -1.293 17.684 19.000 -0.038 0.000 0.823 354 A HN 0.459 nan 8.150 nan 0.000 0.451 355 T N 0.472 115.007 114.554 -0.032 0.000 2.652 355 T HA -0.135 4.215 4.350 0.001 0.000 0.267 355 T C 1.843 176.526 174.700 -0.029 0.000 1.039 355 T CA 1.600 63.705 62.100 0.008 0.000 1.153 355 T CB -0.457 68.430 68.868 0.033 0.000 0.863 355 T HN 0.383 nan 8.240 nan 0.000 0.428 356 L N 0.731 121.916 121.223 -0.065 0.000 2.017 356 L HA -0.112 4.229 4.340 0.001 0.000 0.208 356 L C 3.120 179.955 176.870 -0.057 0.000 1.073 356 L CA 1.300 56.110 54.840 -0.051 0.000 0.745 356 L CB -0.824 41.197 42.059 -0.063 0.000 0.894 356 L HN 0.255 nan 8.230 nan 0.000 0.432 357 A N 0.447 123.203 122.820 -0.106 0.000 1.873 357 A HA -0.249 4.072 4.320 0.001 0.000 0.218 357 A C 2.085 179.626 177.584 -0.072 0.000 1.193 357 A CA 2.179 54.150 52.037 -0.110 0.000 0.629 357 A CB -0.698 18.193 19.000 -0.182 0.000 0.826 357 A HN 0.475 nan 8.150 nan 0.000 0.447 358 N N 0.201 118.859 118.700 -0.070 0.000 2.244 358 N HA -0.158 4.583 4.740 0.001 0.000 0.183 358 N C 1.704 177.206 175.510 -0.014 0.000 1.016 358 N CA 1.616 54.642 53.050 -0.041 0.000 0.866 358 N CB -0.401 38.067 38.487 -0.031 0.000 0.980 358 N HN 0.870 nan 8.380 nan 0.000 0.430 359 E N 0.915 121.111 120.200 -0.006 0.000 2.274 359 E HA -0.070 4.280 4.350 0.001 0.000 0.194 359 E C 1.081 177.688 176.600 0.012 0.000 0.996 359 E CA 0.832 57.237 56.400 0.008 0.000 0.840 359 E CB -0.116 29.593 29.700 0.015 0.000 0.772 359 E HN 0.237 nan 8.360 nan 0.000 0.491 360 K N 0.186 120.591 120.400 0.008 0.000 2.426 360 K HA 0.119 4.440 4.320 0.001 0.000 0.193 360 K C 0.865 177.476 176.600 0.019 0.000 1.028 360 K CA 0.430 56.729 56.287 0.021 0.000 1.047 360 K CB 0.522 33.038 32.500 0.028 0.000 0.821 360 K HN 0.300 nan 8.250 nan 0.000 0.513 361 G N 2.179 110.983 108.800 0.007 0.000 2.160 361 G HA2 -0.251 3.710 3.960 0.001 0.000 0.244 361 G HA3 -0.251 3.710 3.960 0.001 0.000 0.244 361 G C -0.060 174.845 174.900 0.010 0.000 1.022 361 G CA -0.214 44.890 45.100 0.008 0.000 0.741 361 G HN 0.229 nan 8.290 nan 0.000 0.508 362 I N 0.654 121.224 120.570 -0.001 0.000 2.331 362 I HA 0.300 4.471 4.170 0.001 0.000 0.292 362 I C 0.978 177.082 176.117 -0.022 0.000 0.998 362 I CA -1.094 60.209 61.300 0.004 0.000 1.267 362 I CB 1.714 39.715 38.000 0.002 0.000 1.386 362 I HN -0.119 nan 8.210 nan 0.000 0.476 363 V N 7.267 127.182 119.914 0.000 0.000 2.485 363 V HA -0.003 4.117 4.120 0.001 0.000 0.287 363 V C 0.065 176.144 176.094 -0.025 0.000 1.022 363 V CA 0.057 62.353 62.300 -0.006 0.000 1.067 363 V CB 0.878 32.714 31.823 0.021 0.000 0.967 363 V HN 0.364 nan 8.190 nan 0.000 0.479 364 L N 6.609 127.784 121.223 -0.080 0.000 2.317 364 L HA 0.606 4.947 4.340 0.001 0.000 0.281 364 L C -0.262 176.604 176.870 -0.007 0.000 1.024 364 L CA 0.255 55.009 54.840 -0.143 0.000 0.810 364 L CB 1.692 43.495 42.059 -0.426 0.000 1.240 364 L HN 0.734 nan 8.230 nan 0.000 0.427 365 N N 2.069 120.876 118.700 0.179 0.000 2.405 365 N HA 0.900 5.641 4.740 0.001 0.000 0.285 365 N C -1.035 174.827 175.510 0.586 0.000 1.262 365 N CA -0.659 52.645 53.050 0.423 0.000 0.773 365 N CB 2.100 40.796 38.487 0.348 0.000 1.490 365 N HN 0.765 nan 8.380 nan 0.000 0.486 366 G N -0.730 108.417 108.800 0.578 0.000 2.690 366 G HA2 0.653 4.614 3.960 0.001 0.000 0.291 366 G HA3 0.653 4.614 3.960 0.001 0.000 0.291 366 G C -1.819 173.197 174.900 0.193 0.000 1.403 366 G CA -0.643 44.718 45.100 0.435 0.000 0.864 366 G HN 0.655 nan 8.290 nan 0.000 0.480 367 E N -0.302 119.961 120.200 0.105 0.000 2.413 367 E HA 0.361 4.712 4.350 0.001 0.000 0.277 367 E C -0.946 175.718 176.600 0.106 0.000 0.958 367 E CA -1.172 55.162 56.400 -0.111 0.000 0.779 367 E CB 1.745 31.343 29.700 -0.170 0.000 1.278 367 E HN 0.528 nan 8.360 nan 0.000 0.456 368 N N 0.752 119.548 118.700 0.160 0.000 2.530 368 N HA 0.114 4.855 4.740 0.001 0.000 0.273 368 N C 0.387 175.937 175.510 0.066 0.000 1.173 368 N CA 0.261 53.428 53.050 0.195 0.000 0.967 368 N CB 1.674 40.336 38.487 0.293 0.000 1.109 368 N HN 0.624 nan 8.380 nan 0.000 0.453 369 A N 2.747 125.590 122.820 0.038 0.000 1.897 369 A HA 0.108 4.428 4.320 0.001 0.000 0.215 369 A C 1.031 178.627 177.584 0.020 0.000 1.181 369 A CA 0.707 52.753 52.037 0.015 0.000 0.620 369 A CB -0.169 18.838 19.000 0.013 0.000 0.821 369 A HN 0.683 nan 8.150 nan 0.000 0.443 370 L N -1.266 119.970 121.223 0.021 0.000 2.333 370 L HA 0.387 4.728 4.340 0.001 0.000 0.263 370 L C -0.143 176.751 176.870 0.041 0.000 1.014 370 L CA -0.930 53.920 54.840 0.016 0.000 0.820 370 L CB 2.007 44.057 42.059 -0.015 0.000 1.352 370 L HN -0.042 nan 8.230 nan 0.000 0.421 371 S N 1.398 117.122 115.700 0.040 0.000 2.552 371 S HA 0.244 4.714 4.470 0.001 0.000 0.289 371 S C -0.118 174.511 174.600 0.048 0.000 1.304 371 S CA -0.067 58.167 58.200 0.057 0.000 1.063 371 S CB -0.065 63.164 63.200 0.049 0.000 0.848 371 S HN 0.256 nan 8.310 nan 0.000 0.499 372 I N 2.616 123.231 120.570 0.075 0.000 2.312 372 I HA 0.305 4.475 4.170 0.001 0.000 0.290 372 I C 1.212 177.298 176.117 -0.052 0.000 1.008 372 I CA -0.254 61.049 61.300 0.005 0.000 1.226 372 I CB 1.207 39.232 38.000 0.042 0.000 1.371 372 I HN 0.828 nan 8.210 nan 0.000 0.468 373 G N 4.436 113.188 108.800 -0.080 0.000 3.324 373 G HA2 0.029 3.990 3.960 0.001 0.000 0.251 373 G HA3 0.029 3.990 3.960 0.001 0.000 0.251 373 G C 0.104 174.933 174.900 -0.118 0.000 1.072 373 G CA -0.006 45.054 45.100 -0.067 0.000 0.787 373 G HN 0.523 nan 8.290 nan 0.000 0.537 374 N N -0.054 118.521 118.700 -0.208 0.000 2.260 374 N HA 0.130 4.871 4.740 0.001 0.000 0.293 374 N C 0.638 175.935 175.510 -0.354 0.000 1.058 374 N CA -0.658 52.268 53.050 -0.206 0.000 0.824 374 N CB 2.122 40.535 38.487 -0.124 0.000 1.551 374 N HN -0.030 nan 8.380 nan 0.000 0.475 375 E N 1.489 121.536 120.200 -0.254 0.000 2.209 375 E HA -0.200 4.150 4.350 0.001 0.000 0.196 375 E C 0.218 176.744 176.600 -0.123 0.000 0.993 375 E CA 1.115 57.394 56.400 -0.202 0.000 0.819 375 E CB 0.316 30.002 29.700 -0.023 0.000 0.745 375 E HN 0.543 nan 8.360 nan 0.000 0.477 376 E N 0.667 120.803 120.200 -0.107 0.000 2.110 376 E HA -0.198 4.152 4.350 0.001 0.000 0.193 376 E C 1.860 178.420 176.600 -0.067 0.000 0.988 376 E CA 1.088 57.451 56.400 -0.063 0.000 0.804 376 E CB -0.115 29.553 29.700 -0.052 0.000 0.745 376 E HN 0.364 nan 8.360 nan 0.000 0.458 377 E N -0.306 119.824 120.200 -0.117 0.000 2.106 377 E HA -0.141 4.209 4.350 0.001 0.000 0.192 377 E C 1.856 178.458 176.600 0.003 0.000 0.984 377 E CA 0.619 56.971 56.400 -0.079 0.000 0.806 377 E CB -0.242 29.400 29.700 -0.097 0.000 0.750 377 E HN 0.271 nan 8.360 nan 0.000 0.458 378 Y N 1.120 121.385 120.300 -0.058 0.000 2.224 378 Y HA -0.141 4.409 4.550 0.001 0.000 0.289 378 Y C 1.848 177.642 175.900 -0.178 0.000 1.146 378 Y CA 0.866 58.898 58.100 -0.114 0.000 1.182 378 Y CB -0.437 37.986 38.460 -0.062 0.000 0.983 378 Y HN -0.006 nan 8.280 nan 0.000 0.524 379 K N -0.187 120.239 120.400 0.043 0.000 2.097 379 K HA -0.148 4.173 4.320 0.001 0.000 0.206 379 K C 2.200 178.757 176.600 -0.071 0.000 1.049 379 K CA 1.210 57.485 56.287 -0.022 0.000 0.933 379 K CB -0.136 32.362 32.500 -0.002 0.000 0.717 379 K HN 0.281 nan 8.250 nan 0.000 0.442 380 R N 0.431 120.887 120.500 -0.074 0.000 2.075 380 R HA -0.064 4.277 4.340 0.001 0.000 0.232 380 R C 2.345 178.532 176.300 -0.188 0.000 1.126 380 R CA 1.094 57.136 56.100 -0.098 0.000 0.963 380 R CB -0.496 29.758 30.300 -0.076 0.000 0.858 380 R HN -0.005 nan 8.270 nan 0.000 0.435 381 V N 1.443 121.204 119.914 -0.254 0.000 2.287 381 V HA -0.272 3.849 4.120 0.001 0.000 0.248 381 V C 2.549 178.269 176.094 -0.622 0.000 1.053 381 V CA 2.039 64.051 62.300 -0.480 0.000 1.027 381 V CB -0.823 30.590 31.823 -0.684 0.000 0.646 381 V HN 0.405 nan 8.190 nan 0.000 0.447 382 A N -0.540 121.957 122.820 -0.540 0.000 1.908 382 A HA -0.318 4.003 4.320 0.001 0.000 0.218 382 A C 2.306 179.630 177.584 -0.433 0.000 1.181 382 A CA 2.214 53.886 52.037 -0.608 0.000 0.627 382 A CB -0.585 18.281 19.000 -0.222 0.000 0.818 382 A HN 0.646 nan 8.150 nan 0.000 0.445 383 E N -1.148 118.907 120.200 -0.242 0.000 2.058 383 E HA -0.215 4.136 4.350 0.001 0.000 0.194 383 E C 1.995 178.497 176.600 -0.163 0.000 0.997 383 E CA 1.542 57.852 56.400 -0.149 0.000 0.801 383 E CB -0.152 29.517 29.700 -0.051 0.000 0.746 383 E HN 0.479 nan 8.360 nan 0.000 0.450 384 M N 0.289 119.766 119.600 -0.204 0.000 2.123 384 M HA -0.038 4.443 4.480 0.001 0.000 0.263 384 M C 2.460 178.640 176.300 -0.200 0.000 1.069 384 M CA 1.405 56.629 55.300 -0.126 0.000 1.133 384 M CB -1.307 31.117 32.600 -0.293 0.000 1.356 384 M HN 0.192 nan 8.290 nan 0.000 0.415 385 A N -0.141 122.306 122.820 -0.622 0.000 1.883 385 A HA -0.154 4.166 4.320 0.001 0.000 0.217 385 A C 2.019 179.423 177.584 -0.301 0.000 1.186 385 A CA 1.589 53.220 52.037 -0.676 0.000 0.624 385 A CB -1.171 17.176 19.000 -1.090 0.000 0.822 385 A HN 0.483 nan 8.150 nan 0.000 0.444 386 F N -0.642 119.179 119.950 -0.215 0.000 2.710 386 F HA 0.041 4.568 4.527 0.001 0.000 0.298 386 F C 2.003 177.677 175.800 -0.209 0.000 1.137 386 F CA 0.194 58.055 58.000 -0.233 0.000 1.444 386 F CB 0.094 38.904 39.000 -0.316 0.000 1.111 386 F HN 0.226 nan 8.300 nan 0.000 0.580 387 N N -1.250 117.385 118.700 -0.109 0.000 2.348 387 N HA 0.006 4.747 4.740 0.001 0.000 0.183 387 N C 0.206 175.451 175.510 -0.443 0.000 1.094 387 N CA 0.492 53.296 53.050 -0.409 0.000 0.885 387 N CB 0.212 38.084 38.487 -1.025 0.000 1.065 387 N HN 0.280 nan 8.380 nan 0.000 0.472 388 Y N 0.971 121.294 120.300 0.038 0.000 2.708 388 Y HA 0.216 4.766 4.550 0.001 0.000 0.287 388 Y C 0.355 176.304 175.900 0.081 0.000 1.145 388 Y CA -0.574 57.597 58.100 0.119 0.000 1.249 388 Y CB -0.259 38.349 38.460 0.247 0.000 1.152 388 Y HN -0.072 nan 8.280 nan 0.000 0.532 389 N N 0.114 118.904 118.700 0.150 0.000 2.735 389 N HA -0.257 4.484 4.740 0.001 0.000 0.248 389 N C -0.955 174.613 175.510 0.098 0.000 1.083 389 N CA 0.214 53.320 53.050 0.094 0.000 0.703 389 N CB -1.571 36.922 38.487 0.010 0.000 1.005 389 N HN 0.208 nan 8.380 nan 0.000 0.550 390 F N -0.191 119.822 119.950 0.106 0.000 2.538 390 F HA 0.293 4.821 4.527 0.001 0.000 0.371 390 F C 1.776 177.711 175.800 0.225 0.000 1.087 390 F CA 0.479 58.569 58.000 0.150 0.000 1.250 390 F CB 0.600 39.685 39.000 0.142 0.000 1.110 390 F HN 0.217 nan 8.300 nan 0.000 0.570 391 A N 2.806 125.806 122.820 0.300 0.000 2.123 391 A HA 0.487 4.808 4.320 0.001 0.000 0.214 391 A C 1.025 178.736 177.584 0.212 0.000 1.152 391 A CA 0.966 53.142 52.037 0.231 0.000 0.728 391 A CB -0.495 18.580 19.000 0.125 0.000 0.814 391 A HN 0.862 nan 8.150 nan 0.000 0.464 392 G N -2.045 106.935 108.800 0.300 0.000 2.673 392 G HA2 0.471 4.432 3.960 0.001 0.000 0.292 392 G HA3 0.471 4.432 3.960 0.001 0.000 0.292 392 G C -1.719 173.357 174.900 0.292 0.000 1.450 392 G CA -0.472 44.675 45.100 0.078 0.000 0.837 392 G HN 0.416 nan 8.290 nan 0.000 0.505 393 F N 1.104 121.028 119.950 -0.043 0.000 2.561 393 F HA 0.722 5.249 4.527 0.001 0.000 0.313 393 F C -0.459 175.418 175.800 0.128 0.000 1.126 393 F CA -0.558 57.502 58.000 0.099 0.000 0.918 393 F CB 2.460 41.529 39.000 0.115 0.000 1.199 393 F HN 0.445 nan 8.300 nan 0.000 0.444 394 T N 7.228 121.315 114.554 -0.779 0.000 2.779 394 T HA 0.448 4.798 4.350 0.001 0.000 0.280 394 T C -1.082 173.160 174.700 -0.763 0.000 0.987 394 T CA -0.420 61.414 62.100 -0.444 0.000 0.966 394 T CB 1.250 70.065 68.868 -0.088 0.000 0.933 394 T HN 0.569 nan 8.240 nan 0.000 0.442 395 L N 4.713 125.757 121.223 -0.299 0.000 2.260 395 L HA 0.535 4.875 4.340 0.001 0.000 0.289 395 L C -0.612 176.219 176.870 -0.065 0.000 1.057 395 L CA -0.502 54.286 54.840 -0.087 0.000 0.811 395 L CB 0.450 42.568 42.059 0.100 0.000 1.184 395 L HN 0.634 nan 8.230 nan 0.000 0.429 396 L N 6.790 128.004 121.223 -0.016 0.000 2.257 396 L HA 0.592 4.933 4.340 0.001 0.000 0.290 396 L C -0.493 176.407 176.870 0.051 0.000 1.044 396 L CA -0.261 54.581 54.840 0.003 0.000 0.810 396 L CB 0.291 42.352 42.059 0.003 0.000 1.193 396 L HN 0.837 nan 8.230 nan 0.000 0.425 397 R N 2.875 123.400 120.500 0.042 0.000 2.739 397 R HA 0.122 4.463 4.340 0.001 0.000 0.271 397 R C 0.231 176.552 176.300 0.035 0.000 1.010 397 R CA -0.583 55.536 56.100 0.031 0.000 0.897 397 R CB 1.096 31.430 30.300 0.056 0.000 1.236 397 R HN 0.577 nan 8.270 nan 0.000 0.466 398 Y N 2.035 122.257 120.300 -0.130 0.000 2.044 398 Y HA -0.529 4.022 4.550 0.001 0.000 0.212 398 Y C 2.300 178.063 175.900 -0.228 0.000 1.239 398 Y CA 3.181 61.174 58.100 -0.178 0.000 0.969 398 Y CB -0.070 38.336 38.460 -0.090 0.000 0.768 398 Y HN 0.698 nan 8.280 nan 0.000 0.544 399 Q N -0.418 119.408 119.800 0.043 0.000 2.197 399 Q HA -0.223 4.118 4.340 0.001 0.000 0.207 399 Q C 1.606 177.511 176.000 -0.158 0.000 0.984 399 Q CA 1.908 57.605 55.803 -0.177 0.000 0.869 399 Q CB -0.882 27.982 28.738 0.211 0.000 0.906 399 Q HN 0.599 nan 8.270 nan 0.000 0.426 400 D N 1.365 121.743 120.400 -0.036 0.000 2.116 400 D HA -0.138 4.503 4.640 0.001 0.000 0.193 400 D C 2.168 178.477 176.300 0.015 0.000 0.998 400 D CA 2.320 56.335 54.000 0.025 0.000 0.836 400 D CB -0.090 40.748 40.800 0.064 0.000 0.951 400 D HN 0.425 nan 8.370 nan 0.000 0.449 401 V N -2.302 117.578 119.914 -0.057 0.000 3.125 401 V HA 0.095 4.216 4.120 0.001 0.000 0.249 401 V C 2.132 178.180 176.094 -0.077 0.000 1.113 401 V CA 0.320 62.613 62.300 -0.011 0.000 1.106 401 V CB -0.237 31.576 31.823 -0.016 0.000 0.768 401 V HN -0.083 nan 8.190 nan 0.000 0.468 402 M N 1.031 120.429 119.600 -0.338 0.000 2.159 402 M HA 0.017 4.497 4.480 0.001 0.000 0.263 402 M C 1.650 177.787 176.300 -0.272 0.000 1.063 402 M CA 1.867 56.886 55.300 -0.469 0.000 1.110 402 M CB -0.740 31.201 32.600 -1.099 0.000 1.374 402 M HN 0.547 nan 8.290 nan 0.000 0.411 403 Y N -1.782 118.539 120.300 0.035 0.000 2.607 403 Y HA 0.330 4.881 4.550 0.001 0.000 0.266 403 Y C 0.375 176.314 175.900 0.064 0.000 1.178 403 Y CA -0.819 57.309 58.100 0.048 0.000 1.226 403 Y CB 0.145 38.632 38.460 0.045 0.000 1.144 403 Y HN 0.111 nan 8.280 nan 0.000 0.528 404 N N 0.772 119.575 118.700 0.171 0.000 2.640 404 N HA 0.089 4.830 4.740 0.001 0.000 0.262 404 N C -0.510 175.106 175.510 0.177 0.000 1.174 404 N CA -0.082 53.061 53.050 0.155 0.000 0.791 404 N CB 0.327 38.893 38.487 0.132 0.000 1.279 404 N HN 0.094 nan 8.380 nan 0.000 0.535 405 N N 0.101 118.916 118.700 0.192 0.000 2.289 405 N HA -0.161 4.580 4.740 0.001 0.000 0.184 405 N C 1.719 177.355 175.510 0.211 0.000 1.016 405 N CA 1.584 54.783 53.050 0.247 0.000 0.872 405 N CB 0.199 38.818 38.487 0.220 0.000 0.973 405 N HN 0.654 nan 8.380 nan 0.000 0.433 406 S N 0.227 116.023 115.700 0.161 0.000 2.357 406 S HA -0.010 4.461 4.470 0.001 0.000 0.221 406 S C 1.910 176.613 174.600 0.172 0.000 1.031 406 S CA 0.531 58.817 58.200 0.142 0.000 0.982 406 S CB -0.637 62.626 63.200 0.105 0.000 0.853 406 S HN 0.214 nan 8.310 nan 0.000 0.458 407 L N 0.083 121.420 121.223 0.189 0.000 2.046 407 L HA -0.045 4.296 4.340 0.001 0.000 0.208 407 L C 2.868 179.945 176.870 0.344 0.000 1.077 407 L CA 1.687 56.696 54.840 0.281 0.000 0.747 407 L CB -0.516 41.697 42.059 0.256 0.000 0.896 407 L HN 0.384 nan 8.230 nan 0.000 0.432 408 M N 0.270 120.017 119.600 0.246 0.000 2.108 408 M HA -0.141 4.339 4.480 0.001 0.000 0.261 408 M C 1.982 178.376 176.300 0.156 0.000 1.066 408 M CA 2.159 57.573 55.300 0.189 0.000 1.107 408 M CB -0.948 31.755 32.600 0.172 0.000 1.356 408 M HN 0.129 nan 8.290 nan 0.000 0.406 409 G N -0.086 108.810 108.800 0.160 0.000 2.422 409 G HA2 -0.182 3.778 3.960 0.001 0.000 0.218 409 G HA3 -0.182 3.778 3.960 0.001 0.000 0.218 409 G C 1.582 176.542 174.900 0.099 0.000 1.146 409 G CA 0.745 45.911 45.100 0.110 0.000 0.769 409 G HN 0.380 nan 8.290 nan 0.000 0.547 410 K N 0.085 120.589 120.400 0.174 0.000 2.062 410 K HA 0.031 4.352 4.320 0.001 0.000 0.205 410 K C 2.054 178.705 176.600 0.086 0.000 1.051 410 K CA 0.470 56.871 56.287 0.191 0.000 0.941 410 K CB -0.720 31.985 32.500 0.341 0.000 0.719 410 K HN 0.410 nan 8.250 nan 0.000 0.440 411 F N 2.717 122.604 119.950 -0.105 0.000 2.102 411 F HA -0.213 4.315 4.527 0.001 0.000 0.298 411 F C 2.516 178.125 175.800 -0.319 0.000 1.105 411 F CA 1.766 59.485 58.000 -0.469 0.000 1.239 411 F CB -0.101 38.609 39.000 -0.483 0.000 0.991 411 F HN -0.052 nan 8.300 nan 0.000 0.474 412 K N 0.195 120.557 120.400 -0.063 0.000 2.020 412 K HA -0.314 4.006 4.320 0.001 0.000 0.212 412 K C 1.957 178.426 176.600 -0.218 0.000 1.050 412 K CA 2.315 58.513 56.287 -0.148 0.000 0.929 412 K CB -0.636 31.803 32.500 -0.102 0.000 0.714 412 K HN 0.411 nan 8.250 nan 0.000 0.443 413 D N -0.019 120.289 120.400 -0.154 0.000 2.084 413 D HA -0.158 4.483 4.640 0.001 0.000 0.194 413 D C 2.013 178.201 176.300 -0.187 0.000 0.990 413 D CA 1.565 55.485 54.000 -0.134 0.000 0.826 413 D CB -0.005 40.757 40.800 -0.064 0.000 0.971 413 D HN 0.281 nan 8.370 nan 0.000 0.453 414 L N -0.781 120.304 121.223 -0.230 0.000 2.068 414 L HA 0.033 4.373 4.340 0.001 0.000 0.204 414 L C 2.131 178.819 176.870 -0.303 0.000 1.076 414 L CA 0.675 55.377 54.840 -0.231 0.000 0.753 414 L CB -0.092 41.860 42.059 -0.178 0.000 0.910 414 L HN 0.131 nan 8.230 nan 0.000 0.439 415 L N -1.523 119.295 121.223 -0.674 0.000 2.781 415 L HA 0.254 4.595 4.340 0.001 0.000 0.245 415 L C 1.454 177.963 176.870 -0.602 0.000 1.118 415 L CA -0.041 54.367 54.840 -0.722 0.000 0.918 415 L CB 0.246 41.586 42.059 -1.199 0.000 1.246 415 L HN 0.126 nan 8.230 nan 0.000 0.526 416 G N 1.458 109.841 108.800 -0.694 0.000 3.741 416 G HA2 0.378 4.339 3.960 0.001 0.000 0.263 416 G HA3 0.378 4.339 3.960 0.001 0.000 0.263 416 G C 0.125 174.930 174.900 -0.158 0.000 1.175 416 G CA -0.025 44.879 45.100 -0.327 0.000 1.642 416 G HN 0.020 nan 8.290 nan 0.000 0.644 417 V N -2.550 117.326 119.914 -0.065 0.000 2.837 417 V HA 0.797 4.917 4.120 0.001 0.000 0.310 417 V C -0.045 176.049 176.094 0.000 0.000 1.059 417 V CA -0.733 61.520 62.300 -0.079 0.000 1.004 417 V CB 1.805 33.509 31.823 -0.198 0.000 1.045 417 V HN -0.013 nan 8.190 nan 0.000 0.465 418 T N 4.864 119.384 114.554 -0.056 0.000 2.772 418 T HA 0.486 4.836 4.350 0.001 0.000 0.288 418 T C -2.683 171.972 174.700 -0.075 0.000 0.994 418 T CA -0.863 61.215 62.100 -0.037 0.000 0.951 418 T CB 1.383 70.224 68.868 -0.045 0.000 0.933 418 T HN 0.803 nan 8.240 nan 0.000 0.447 419 P HA 0.308 nan 4.420 nan 0.000 0.276 419 P C -0.813 176.437 177.300 -0.083 0.000 1.235 419 P CA -0.332 62.714 63.100 -0.091 0.000 0.772 419 P CB 1.193 32.866 31.700 -0.045 0.000 0.871 420 V N 5.267 125.117 119.914 -0.108 0.000 2.709 420 V HA 0.402 4.523 4.120 0.001 0.000 0.308 420 V C -0.385 175.657 176.094 -0.086 0.000 1.062 420 V CA -1.164 61.079 62.300 -0.095 0.000 0.901 420 V CB 2.117 33.868 31.823 -0.121 0.000 1.003 420 V HN 0.492 nan 8.190 nan 0.000 0.425 421 M N 5.582 125.148 119.600 -0.057 0.000 2.185 421 M HA 0.488 4.968 4.480 0.001 0.000 0.357 421 M C -0.972 175.320 176.300 -0.014 0.000 1.260 421 M CA 0.146 55.425 55.300 -0.036 0.000 1.124 421 M CB 1.050 33.635 32.600 -0.026 0.000 1.600 421 M HN 0.742 nan 8.290 nan 0.000 0.467 422 Q N 2.639 122.451 119.800 0.020 0.000 2.421 422 Q HA 0.456 4.797 4.340 0.001 0.000 0.280 422 Q C -1.136 174.930 176.000 0.110 0.000 1.085 422 Q CA -0.538 55.330 55.803 0.109 0.000 0.807 422 Q CB 2.265 31.135 28.738 0.221 0.000 1.405 422 Q HN 0.610 nan 8.270 nan 0.000 0.419 423 T N 2.131 116.769 114.554 0.140 0.000 2.749 423 T HA 0.456 4.806 4.350 0.001 0.000 0.287 423 T C 0.152 174.909 174.700 0.094 0.000 0.970 423 T CA -0.423 61.730 62.100 0.089 0.000 0.980 423 T CB 0.300 69.207 68.868 0.066 0.000 0.924 423 T HN 0.237 nan 8.240 nan 0.000 0.456 424 I N 4.663 125.266 120.570 0.054 0.000 2.315 424 I HA 0.359 4.529 4.170 0.001 0.000 0.291 424 I C -0.066 176.107 176.117 0.093 0.000 1.006 424 I CA -0.705 60.617 61.300 0.037 0.000 1.265 424 I CB 1.070 39.034 38.000 -0.059 0.000 1.387 424 I HN 0.306 nan 8.210 nan 0.000 0.475 425 V N 7.326 127.315 119.914 0.125 0.000 2.448 425 V HA 0.517 4.638 4.120 0.001 0.000 0.295 425 V C -0.026 176.183 176.094 0.191 0.000 1.025 425 V CA -0.738 61.644 62.300 0.136 0.000 0.859 425 V CB 2.355 34.231 31.823 0.087 0.000 0.988 425 V HN 0.414 nan 8.190 nan 0.000 0.431 426 V N 4.943 124.998 119.914 0.234 0.000 2.444 426 V HA 0.548 4.669 4.120 0.001 0.000 0.294 426 V C -0.120 176.142 176.094 0.280 0.000 1.022 426 V CA -0.916 61.551 62.300 0.278 0.000 0.850 426 V CB 1.820 33.844 31.823 0.336 0.000 0.992 426 V HN 0.767 nan 8.190 nan 0.000 0.426 427 K N 2.861 123.405 120.400 0.241 0.000 2.106 427 K HA 0.480 4.800 4.320 0.001 0.000 0.246 427 K C 0.451 177.194 176.600 0.239 0.000 0.987 427 K CA -0.665 55.749 56.287 0.212 0.000 0.904 427 K CB 0.652 33.241 32.500 0.149 0.000 1.071 427 K HN 0.723 nan 8.250 nan 0.000 0.453 428 N N -0.978 117.836 118.700 0.189 0.000 2.708 428 N HA -0.163 4.578 4.740 0.001 0.000 0.249 428 N C -0.546 174.990 175.510 0.043 0.000 1.097 428 N CA 0.477 53.614 53.050 0.145 0.000 0.710 428 N CB -1.838 36.750 38.487 0.168 0.000 1.032 428 N HN 0.226 nan 8.380 nan 0.000 0.551 429 V N 1.901 121.786 119.914 -0.047 0.000 2.470 429 V HA 0.171 4.292 4.120 0.001 0.000 0.276 429 V C -1.179 174.616 176.094 -0.499 0.000 1.040 429 V CA -0.886 61.073 62.300 -0.569 0.000 1.008 429 V CB 1.061 32.528 31.823 -0.593 0.000 0.990 429 V HN 0.086 nan 8.190 nan 0.000 0.477 430 P HA 0.155 nan 4.420 nan 0.000 0.231 430 P C 0.091 177.186 177.300 -0.341 0.000 1.811 430 P CA -0.153 62.730 63.100 -0.361 0.000 1.051 430 P CB -0.247 31.293 31.700 -0.267 0.000 1.951 431 T N -0.295 114.085 114.554 -0.290 0.000 2.918 431 T HA 0.557 4.908 4.350 0.001 0.000 0.283 431 T C 0.565 175.184 174.700 -0.135 0.000 1.001 431 T CA -0.424 61.531 62.100 -0.242 0.000 1.041 431 T CB 1.159 69.891 68.868 -0.228 0.000 1.028 431 T HN 0.322 nan 8.240 nan 0.000 0.511 432 T N -1.253 113.234 114.554 -0.112 0.000 2.910 432 T HA 0.635 4.985 4.350 0.001 0.000 0.287 432 T C 0.010 174.676 174.700 -0.057 0.000 1.050 432 T CA -1.045 61.011 62.100 -0.074 0.000 1.011 432 T CB 0.554 69.385 68.868 -0.061 0.000 1.195 432 T HN 0.483 nan 8.240 nan 0.000 0.540 433 I N 1.926 122.470 120.570 -0.043 0.000 2.741 433 I HA 0.332 4.503 4.170 0.001 0.000 0.288 433 I C 1.566 177.670 176.117 -0.022 0.000 1.192 433 I CA 1.994 63.276 61.300 -0.029 0.000 1.426 433 I CB 0.034 38.020 38.000 -0.024 0.000 1.367 433 I HN 1.143 nan 8.210 nan 0.000 0.563 434 G N 3.800 112.594 108.800 -0.010 0.000 2.232 434 G HA2 -0.204 3.756 3.960 0.001 0.000 0.226 434 G HA3 -0.204 3.756 3.960 0.001 0.000 0.226 434 G C 0.067 174.959 174.900 -0.014 0.000 0.996 434 G CA -0.330 44.766 45.100 -0.005 0.000 0.626 434 G HN 0.528 nan 8.290 nan 0.000 0.509 435 D N 1.958 122.335 120.400 -0.040 0.000 2.350 435 D HA 0.532 5.173 4.640 0.001 0.000 0.249 435 D C 0.805 177.033 176.300 -0.120 0.000 1.119 435 D CA 1.154 55.096 54.000 -0.096 0.000 0.886 435 D CB 1.370 42.070 40.800 -0.166 0.000 1.195 435 D HN 0.486 nan 8.370 nan 0.000 0.437 436 T N -1.804 112.653 114.554 -0.161 0.000 2.863 436 T HA 0.606 4.957 4.350 0.001 0.000 0.285 436 T C -0.200 174.227 174.700 -0.455 0.000 1.009 436 T CA -0.902 61.053 62.100 -0.243 0.000 0.989 436 T CB 1.332 70.163 68.868 -0.061 0.000 1.004 436 T HN 0.004 nan 8.240 nan 0.000 0.455 437 V N 2.901 122.313 119.914 -0.838 0.000 2.483 437 V HA 0.602 4.723 4.120 0.001 0.000 0.295 437 V C -1.137 174.586 176.094 -0.618 0.000 1.035 437 V CA -0.660 61.179 62.300 -0.769 0.000 0.896 437 V CB 0.695 31.837 31.823 -1.136 0.000 0.986 437 V HN 0.901 nan 8.190 nan 0.000 0.447 438 Y N 3.735 123.594 120.300 -0.736 0.000 2.609 438 Y HA 0.759 5.310 4.550 0.001 0.000 0.342 438 Y C 0.029 175.626 175.900 -0.505 0.000 1.058 438 Y CA -1.150 56.553 58.100 -0.662 0.000 1.055 438 Y CB 1.962 39.849 38.460 -0.956 0.000 1.292 438 Y HN 0.640 nan 8.280 nan 0.000 0.476 439 I N -1.108 119.475 120.570 0.022 0.000 2.785 439 I HA 0.930 5.101 4.170 0.001 0.000 0.302 439 I C -0.789 175.524 176.117 0.326 0.000 1.069 439 I CA -0.644 60.786 61.300 0.217 0.000 1.045 439 I CB 2.532 40.630 38.000 0.163 0.000 1.236 439 I HN 0.547 nan 8.210 nan 0.000 0.429 440 T N 2.377 117.200 114.554 0.447 0.000 2.894 440 T HA 0.832 5.183 4.350 0.001 0.000 0.309 440 T C -0.629 174.100 174.700 0.049 0.000 1.208 440 T CA -0.184 62.108 62.100 0.321 0.000 1.016 440 T CB 1.747 70.926 68.868 0.518 0.000 1.192 440 T HN 1.225 nan 8.240 nan 0.000 0.491 441 G N 1.730 110.302 108.800 -0.378 0.000 2.788 441 G HA2 0.421 4.382 3.960 0.001 0.000 0.293 441 G HA3 0.421 4.382 3.960 0.001 0.000 0.293 441 G C 0.574 174.627 174.900 -1.411 0.000 1.392 441 G CA -0.218 44.302 45.100 -0.967 0.000 0.810 441 G HN 0.692 nan 8.290 nan 0.000 0.508 442 N N -0.404 117.567 118.700 -1.215 0.000 2.166 442 N HA -0.082 4.658 4.740 0.001 0.000 0.186 442 N C 0.797 176.115 175.510 -0.319 0.000 1.019 442 N CA 0.779 53.425 53.050 -0.672 0.000 0.856 442 N CB -0.155 38.303 38.487 -0.049 0.000 0.993 442 N HN 0.445 nan 8.380 nan 0.000 0.426 443 R N -0.370 119.978 120.500 -0.253 0.000 2.531 443 R HA 0.437 4.778 4.340 0.001 0.000 0.273 443 R C 1.184 177.393 176.300 -0.152 0.000 1.070 443 R CA 0.157 56.159 56.100 -0.164 0.000 1.112 443 R CB 0.624 30.826 30.300 -0.162 0.000 1.049 443 R HN 0.220 nan 8.270 nan 0.000 0.508 444 A N 2.261 125.031 122.820 -0.083 0.000 1.978 444 A HA -0.203 4.117 4.320 0.001 0.000 0.220 444 A C 1.611 179.159 177.584 -0.060 0.000 1.170 444 A CA 1.586 53.604 52.037 -0.031 0.000 0.636 444 A CB -0.288 18.747 19.000 0.058 0.000 0.810 444 A HN 0.806 nan 8.150 nan 0.000 0.448 445 E N -0.564 119.531 120.200 -0.175 0.000 2.265 445 E HA -0.047 4.304 4.350 0.001 0.000 0.196 445 E C 1.054 177.539 176.600 -0.191 0.000 0.996 445 E CA 0.750 56.975 56.400 -0.292 0.000 0.832 445 E CB -0.158 29.242 29.700 -0.500 0.000 0.756 445 E HN 0.630 nan 8.360 nan 0.000 0.491 446 L N -1.194 119.929 121.223 -0.167 0.000 2.818 446 L HA 0.333 4.674 4.340 0.001 0.000 0.243 446 L C 1.068 177.895 176.870 -0.073 0.000 1.185 446 L CA 0.089 54.848 54.840 -0.136 0.000 0.988 446 L CB 0.577 42.522 42.059 -0.191 0.000 1.292 446 L HN 0.245 nan 8.230 nan 0.000 0.519 447 G N -0.826 107.950 108.800 -0.040 0.000 2.162 447 G HA2 -0.336 3.625 3.960 0.001 0.000 0.260 447 G HA3 -0.336 3.625 3.960 0.001 0.000 0.260 447 G C 0.571 175.540 174.900 0.116 0.000 0.976 447 G CA 0.182 45.338 45.100 0.093 0.000 0.655 447 G HN 0.288 nan 8.290 nan 0.000 0.533 448 S N -1.816 113.858 115.700 -0.044 0.000 3.550 448 S HA -0.289 4.181 4.470 0.001 0.000 0.372 448 S C 1.096 175.751 174.600 0.092 0.000 0.966 448 S CA 1.658 59.824 58.200 -0.057 0.000 1.229 448 S CB -2.122 61.120 63.200 0.069 0.000 0.917 448 S HN 1.843 nan 8.310 nan 0.000 0.496 449 W N -2.086 119.289 121.300 0.126 0.000 2.902 449 W HA -0.273 4.388 4.660 0.001 0.000 0.278 449 W C 0.380 176.968 176.519 0.116 0.000 1.066 449 W CA 0.637 58.054 57.345 0.120 0.000 0.570 449 W CB -1.709 27.774 29.460 0.038 0.000 2.092 449 W HN 0.686 nan 8.180 nan 0.000 1.423 450 D N 0.347 120.910 120.400 0.272 0.000 2.389 450 D HA 0.312 4.953 4.640 0.001 0.000 0.247 450 D C 1.354 177.724 176.300 0.116 0.000 1.128 450 D CA 1.307 55.399 54.000 0.153 0.000 0.884 450 D CB 1.038 41.895 40.800 0.094 0.000 1.194 450 D HN 0.075 nan 8.370 nan 0.000 0.441 451 T N -0.048 114.498 114.554 -0.014 0.000 3.003 451 T HA 0.149 4.500 4.350 0.001 0.000 0.261 451 T C 1.301 175.936 174.700 -0.108 0.000 1.003 451 T CA -0.390 61.631 62.100 -0.132 0.000 0.917 451 T CB 0.228 68.776 68.868 -0.534 0.000 1.084 451 T HN 0.144 nan 8.240 nan 0.000 0.522 452 K N 2.063 122.394 120.400 -0.115 0.000 2.029 452 K HA 0.070 4.391 4.320 0.001 0.000 0.205 452 K C 2.322 178.842 176.600 -0.133 0.000 1.042 452 K CA 1.620 57.830 56.287 -0.128 0.000 0.949 452 K CB -0.113 32.308 32.500 -0.132 0.000 0.740 452 K HN 0.750 nan 8.250 nan 0.000 0.442 453 Q N -1.951 117.725 119.800 -0.206 0.000 2.288 453 Q HA 0.118 4.459 4.340 0.001 0.000 0.256 453 Q C 1.042 177.044 176.000 0.003 0.000 0.835 453 Q CA 0.037 55.737 55.803 -0.171 0.000 0.958 453 Q CB 0.137 28.712 28.738 -0.271 0.000 1.125 453 Q HN 0.107 nan 8.270 nan 0.000 0.513 454 Y N 2.120 122.422 120.300 0.004 0.000 2.462 454 Y HA 0.350 4.900 4.550 0.001 0.000 0.261 454 Y C -1.712 174.224 175.900 0.059 0.000 1.146 454 Y CA -2.471 55.631 58.100 0.002 0.000 1.283 454 Y CB -0.883 37.573 38.460 -0.006 0.000 1.090 454 Y HN 0.122 nan 8.280 nan 0.000 0.526 455 P HA 0.030 nan 4.420 nan 0.000 0.270 455 P C -0.128 177.356 177.300 0.307 0.000 1.223 455 P CA 0.433 63.710 63.100 0.296 0.000 0.785 455 P CB 1.532 33.440 31.700 0.347 0.000 0.923 456 I N 1.176 121.899 120.570 0.255 0.000 2.354 456 I HA 0.250 4.421 4.170 0.001 0.000 0.292 456 I C 0.981 177.113 176.117 0.025 0.000 0.989 456 I CA -0.681 60.701 61.300 0.137 0.000 1.188 456 I CB 1.245 39.273 38.000 0.048 0.000 1.342 456 I HN 0.346 nan 8.210 nan 0.000 0.457 457 Q N 6.083 125.773 119.800 -0.182 0.000 2.293 457 Q HA 0.499 4.840 4.340 0.001 0.000 0.251 457 Q C -1.220 174.530 176.000 -0.416 0.000 0.930 457 Q CA -0.357 55.026 55.803 -0.700 0.000 0.893 457 Q CB 1.148 29.359 28.738 -0.878 0.000 1.215 457 Q HN 0.580 nan 8.270 nan 0.000 0.425 458 L N 2.861 123.824 121.223 -0.432 0.000 2.331 458 L HA 0.519 4.860 4.340 0.001 0.000 0.268 458 L C -1.080 175.709 176.870 -0.134 0.000 1.015 458 L CA -1.092 53.709 54.840 -0.064 0.000 0.807 458 L CB 1.031 43.171 42.059 0.135 0.000 1.293 458 L HN 0.676 nan 8.230 nan 0.000 0.451 459 Y N -0.917 119.478 120.300 0.158 0.000 2.462 459 Y HA 0.297 4.848 4.550 0.001 0.000 0.346 459 Y C -0.372 175.331 175.900 -0.327 0.000 0.976 459 Y CA -0.681 57.412 58.100 -0.010 0.000 1.044 459 Y CB 1.496 39.910 38.460 -0.078 0.000 1.230 459 Y HN 0.260 nan 8.280 nan 0.000 0.455 460 Y N 3.029 122.788 120.300 -0.902 0.000 2.526 460 Y HA 0.132 4.682 4.550 0.001 0.000 0.330 460 Y C -0.052 175.536 175.900 -0.519 0.000 1.156 460 Y CA -0.256 57.112 58.100 -1.220 0.000 1.419 460 Y CB 0.464 38.093 38.460 -1.385 0.000 1.250 460 Y HN 0.555 nan 8.280 nan 0.000 0.540 461 D N 3.680 123.433 120.400 -1.080 0.000 2.454 461 D HA 0.110 4.751 4.640 0.001 0.000 0.225 461 D C 0.627 176.299 176.300 -1.048 0.000 1.081 461 D CA 0.038 53.588 54.000 -0.749 0.000 0.864 461 D CB 1.015 41.551 40.800 -0.440 0.000 1.040 461 D HN 0.677 nan 8.370 nan 0.000 0.517 462 S N 2.837 118.133 115.700 -0.674 0.000 2.423 462 S HA -0.142 4.329 4.470 0.001 0.000 0.231 462 S C 1.519 176.064 174.600 -0.091 0.000 1.014 462 S CA 0.743 58.741 58.200 -0.336 0.000 0.965 462 S CB -0.422 62.791 63.200 0.023 0.000 0.785 462 S HN 0.634 nan 8.310 nan 0.000 0.495 463 H N 1.072 119.990 119.070 -0.253 0.000 2.372 463 H HA 0.137 4.694 4.556 0.001 0.000 0.301 463 H C 1.726 176.965 175.328 -0.148 0.000 1.065 463 H CA 1.237 57.191 56.048 -0.157 0.000 1.364 463 H CB 0.064 29.749 29.762 -0.127 0.000 1.406 463 H HN 0.456 nan 8.280 nan 0.000 0.521 464 S N 0.327 115.989 115.700 -0.064 0.000 2.524 464 S HA -0.056 4.414 4.470 0.001 0.000 0.216 464 S C 0.467 175.008 174.600 -0.100 0.000 0.987 464 S CA 0.071 58.225 58.200 -0.076 0.000 0.909 464 S CB 0.034 63.185 63.200 -0.082 0.000 0.781 464 S HN 0.458 nan 8.310 nan 0.000 0.521 465 N N 2.265 120.839 118.700 -0.210 0.000 2.681 465 N HA -0.159 4.582 4.740 0.001 0.000 0.259 465 N C -1.369 174.131 175.510 -0.016 0.000 1.066 465 N CA 1.140 54.120 53.050 -0.116 0.000 0.717 465 N CB -1.405 37.108 38.487 0.043 0.000 0.885 465 N HN 0.641 nan 8.380 nan 0.000 0.547 466 D N -1.642 118.649 120.400 -0.180 0.000 2.713 466 D HA 0.528 5.169 4.640 0.001 0.000 0.306 466 D C -1.282 174.968 176.300 -0.083 0.000 1.299 466 D CA -0.623 53.405 54.000 0.047 0.000 0.823 466 D CB -0.196 40.649 40.800 0.075 0.000 1.353 466 D HN 0.121 nan 8.370 nan 0.000 0.447 467 W N 0.440 121.792 121.300 0.087 0.000 2.417 467 W HA 0.641 5.301 4.660 0.001 0.000 0.315 467 W C 0.289 176.836 176.519 0.046 0.000 1.045 467 W CA -0.515 56.875 57.345 0.076 0.000 1.221 467 W CB 1.499 30.997 29.460 0.062 0.000 1.309 467 W HN 0.519 nan 8.180 nan 0.000 0.453 468 R N 2.265 122.871 120.500 0.175 0.000 2.799 468 R HA 1.006 5.347 4.340 0.001 0.000 0.270 468 R C -0.567 175.816 176.300 0.138 0.000 1.010 468 R CA -1.403 54.774 56.100 0.128 0.000 0.916 468 R CB 1.902 32.232 30.300 0.050 0.000 1.228 468 R HN 0.570 nan 8.270 nan 0.000 0.469 469 G N 0.670 109.533 108.800 0.105 0.000 2.702 469 G HA2 0.266 4.227 3.960 0.001 0.000 0.296 469 G HA3 0.266 4.227 3.960 0.001 0.000 0.296 469 G C -1.839 173.092 174.900 0.052 0.000 1.463 469 G CA -0.933 44.234 45.100 0.111 0.000 0.890 469 G HN 0.413 nan 8.290 nan 0.000 0.534 470 N N 0.169 118.884 118.700 0.026 0.000 2.408 470 N HA 0.496 5.236 4.740 0.001 0.000 0.257 470 N C -0.186 175.326 175.510 0.002 0.000 1.064 470 N CA -0.151 52.904 53.050 0.008 0.000 0.952 470 N CB 1.830 40.309 38.487 -0.013 0.000 1.093 470 N HN 0.312 nan 8.380 nan 0.000 0.490 471 V N 2.145 122.056 119.914 -0.006 0.000 2.555 471 V HA 0.375 4.496 4.120 0.001 0.000 0.302 471 V C 0.139 176.204 176.094 -0.048 0.000 1.038 471 V CA -0.988 61.292 62.300 -0.033 0.000 0.887 471 V CB 2.086 33.870 31.823 -0.065 0.000 0.991 471 V HN 0.253 nan 8.190 nan 0.000 0.434 472 V N 5.990 125.865 119.914 -0.065 0.000 2.408 472 V HA 0.351 4.471 4.120 0.001 0.000 0.267 472 V C -0.138 175.875 176.094 -0.136 0.000 1.047 472 V CA -0.155 62.094 62.300 -0.086 0.000 0.937 472 V CB 0.872 32.650 31.823 -0.075 0.000 0.999 472 V HN 0.466 nan 8.190 nan 0.000 0.472 473 L N 7.536 128.669 121.223 -0.150 0.000 2.301 473 L HA 0.684 5.025 4.340 0.001 0.000 0.264 473 L C -2.408 174.322 176.870 -0.233 0.000 1.016 473 L CA -2.514 52.209 54.840 -0.196 0.000 0.821 473 L CB 2.387 44.352 42.059 -0.156 0.000 1.346 473 L HN 0.360 nan 8.230 nan 0.000 0.429 474 P HA 0.210 nan 4.420 nan 0.000 0.281 474 P C -0.827 176.341 177.300 -0.220 0.000 1.286 474 P CA -0.383 62.551 63.100 -0.277 0.000 0.772 474 P CB 0.846 32.346 31.700 -0.333 0.000 0.862 475 A N 4.127 126.831 122.820 -0.193 0.000 2.498 475 A HA 0.045 4.366 4.320 0.001 0.000 0.239 475 A C 0.871 178.354 177.584 -0.167 0.000 1.068 475 A CA 0.018 51.943 52.037 -0.187 0.000 0.766 475 A CB -0.709 18.202 19.000 -0.149 0.000 1.003 475 A HN 0.693 nan 8.150 nan 0.000 0.497 476 E N -0.397 119.696 120.200 -0.179 0.000 2.476 476 E HA -0.188 4.163 4.350 0.001 0.000 0.251 476 E C -0.449 176.082 176.600 -0.114 0.000 1.130 476 E CA 0.632 56.950 56.400 -0.138 0.000 0.736 476 E CB -1.045 28.593 29.700 -0.103 0.000 1.298 476 E HN 0.579 nan 8.360 nan 0.000 0.400 477 R N 0.448 120.873 120.500 -0.126 0.000 2.750 477 R HA 0.380 4.721 4.340 0.001 0.000 0.281 477 R C -0.194 176.072 176.300 -0.057 0.000 0.972 477 R CA -1.116 54.927 56.100 -0.094 0.000 0.912 477 R CB 1.067 31.293 30.300 -0.123 0.000 1.187 477 R HN -0.046 nan 8.270 nan 0.000 0.464 478 N N 2.041 120.732 118.700 -0.015 0.000 2.520 478 N HA 0.356 5.097 4.740 0.001 0.000 0.273 478 N C -0.057 175.485 175.510 0.054 0.000 1.155 478 N CA -0.099 52.976 53.050 0.042 0.000 0.967 478 N CB 0.678 39.193 38.487 0.047 0.000 1.092 478 N HN 0.462 nan 8.380 nan 0.000 0.457 479 I N -2.070 118.577 120.570 0.128 0.000 2.828 479 I HA 0.621 4.792 4.170 0.001 0.000 0.302 479 I C -0.755 175.486 176.117 0.208 0.000 1.101 479 I CA -0.879 60.502 61.300 0.136 0.000 1.031 479 I CB 2.530 40.615 38.000 0.141 0.000 1.231 479 I HN 0.044 nan 8.210 nan 0.000 0.427 480 E N 4.797 125.092 120.200 0.158 0.000 2.210 480 E HA 0.603 4.954 4.350 0.001 0.000 0.266 480 E C -1.444 175.251 176.600 0.158 0.000 0.883 480 E CA -0.369 56.130 56.400 0.165 0.000 0.761 480 E CB 2.732 32.582 29.700 0.250 0.000 1.156 480 E HN 0.663 nan 8.360 nan 0.000 0.412 481 F N -0.657 119.323 119.950 0.049 0.000 2.686 481 F HA 0.702 5.230 4.527 0.001 0.000 0.311 481 F C -1.027 174.913 175.800 0.233 0.000 1.128 481 F CA -1.063 56.952 58.000 0.025 0.000 0.946 481 F CB 1.926 40.890 39.000 -0.060 0.000 1.336 481 F HN 0.078 nan 8.300 nan 0.000 0.457 482 K N 1.495 122.211 120.400 0.526 0.000 2.501 482 K HA 0.768 5.089 4.320 0.001 0.000 0.252 482 K C -1.256 175.705 176.600 0.603 0.000 0.934 482 K CA -0.997 55.566 56.287 0.460 0.000 0.797 482 K CB 2.492 35.309 32.500 0.529 0.000 1.270 482 K HN 1.023 nan 8.250 nan 0.000 0.431 483 A N 2.714 125.781 122.820 0.411 0.000 2.302 483 A HA 0.752 5.073 4.320 0.001 0.000 0.285 483 A C -0.796 177.029 177.584 0.402 0.000 1.105 483 A CA -0.255 52.006 52.037 0.374 0.000 0.816 483 A CB -0.052 19.173 19.000 0.375 0.000 1.067 483 A HN 0.624 nan 8.150 nan 0.000 0.489 484 F N -0.693 119.338 119.950 0.136 0.000 2.654 484 F HA 0.762 5.290 4.527 0.001 0.000 0.308 484 F C -1.248 174.534 175.800 -0.030 0.000 1.108 484 F CA -1.297 56.650 58.000 -0.087 0.000 0.957 484 F CB 0.987 39.374 39.000 -1.021 0.000 1.309 484 F HN 0.399 nan 8.300 nan 0.000 0.446 485 I N 2.427 123.062 120.570 0.108 0.000 2.437 485 I HA 0.438 4.609 4.170 0.001 0.000 0.298 485 I C -0.488 175.613 176.117 -0.026 0.000 0.984 485 I CA -0.808 60.416 61.300 -0.125 0.000 1.214 485 I CB 1.988 39.868 38.000 -0.200 0.000 1.365 485 I HN 0.620 nan 8.210 nan 0.000 0.469 486 K N 3.702 124.055 120.400 -0.077 0.000 2.270 486 K HA 0.442 4.763 4.320 0.001 0.000 0.255 486 K C -0.319 176.256 176.600 -0.043 0.000 0.936 486 K CA -0.506 55.765 56.287 -0.027 0.000 0.809 486 K CB 1.826 34.300 32.500 -0.044 0.000 1.131 486 K HN 0.768 nan 8.250 nan 0.000 0.427 487 S N 1.926 117.607 115.700 -0.033 0.000 2.681 487 S HA 0.191 4.661 4.470 0.001 0.000 0.270 487 S C 0.842 175.432 174.600 -0.016 0.000 1.209 487 S CA -0.470 57.711 58.200 -0.031 0.000 0.988 487 S CB 1.145 64.329 63.200 -0.026 0.000 1.006 487 S HN 0.514 nan 8.310 nan 0.000 0.558 488 K N 1.434 121.826 120.400 -0.013 0.000 2.089 488 K HA -0.145 4.176 4.320 0.001 0.000 0.210 488 K C 1.561 178.162 176.600 0.001 0.000 1.048 488 K CA 2.093 58.378 56.287 -0.002 0.000 0.926 488 K CB -0.632 31.867 32.500 -0.002 0.000 0.714 488 K HN 0.814 nan 8.250 nan 0.000 0.448 489 D N -1.046 119.351 120.400 -0.004 0.000 2.378 489 D HA -0.005 4.636 4.640 0.001 0.000 0.227 489 D C 0.783 177.078 176.300 -0.009 0.000 1.012 489 D CA 0.926 54.923 54.000 -0.004 0.000 0.905 489 D CB 0.011 40.808 40.800 -0.006 0.000 0.895 489 D HN 0.319 nan 8.370 nan 0.000 0.532 490 G N 1.351 110.144 108.800 -0.013 0.000 2.165 490 G HA2 -0.220 3.740 3.960 0.001 0.000 0.226 490 G HA3 -0.220 3.740 3.960 0.001 0.000 0.226 490 G C 0.238 175.115 174.900 -0.039 0.000 1.035 490 G CA 0.305 45.389 45.100 -0.026 0.000 0.744 490 G HN 0.672 nan 8.290 nan 0.000 0.501 491 T N -2.480 112.054 114.554 -0.033 0.000 2.856 491 T HA 0.677 5.028 4.350 0.001 0.000 0.283 491 T C 0.188 174.864 174.700 -0.040 0.000 1.008 491 T CA -0.579 61.497 62.100 -0.038 0.000 0.997 491 T CB 2.628 71.480 68.868 -0.026 0.000 0.992 491 T HN 0.855 nan 8.240 nan 0.000 0.454 492 V N 3.815 123.689 119.914 -0.067 0.000 2.493 492 V HA 0.098 4.219 4.120 0.001 0.000 0.292 492 V C 1.609 177.674 176.094 -0.049 0.000 1.016 492 V CA 0.178 62.421 62.300 -0.095 0.000 1.097 492 V CB 0.286 31.962 31.823 -0.244 0.000 0.947 492 V HN 0.993 nan 8.190 nan 0.000 0.479 493 K N 2.690 123.075 120.400 -0.024 0.000 2.099 493 K HA 0.095 4.416 4.320 0.001 0.000 0.203 493 K C 0.709 177.340 176.600 0.051 0.000 1.047 493 K CA 1.068 57.358 56.287 0.005 0.000 0.963 493 K CB 0.414 32.907 32.500 -0.011 0.000 0.759 493 K HN 0.882 nan 8.250 nan 0.000 0.451 494 S N -2.057 113.687 115.700 0.073 0.000 2.636 494 S HA 0.436 4.907 4.470 0.001 0.000 0.268 494 S C -1.781 172.933 174.600 0.190 0.000 1.159 494 S CA -1.157 57.167 58.200 0.206 0.000 0.815 494 S CB 0.765 64.168 63.200 0.338 0.000 1.130 494 S HN 0.225 nan 8.310 nan 0.000 0.471 495 W N 0.755 122.157 121.300 0.170 0.000 2.882 495 W HA 0.611 5.272 4.660 0.001 0.000 0.345 495 W C -0.035 176.101 176.519 -0.638 0.000 1.125 495 W CA -0.600 56.713 57.345 -0.053 0.000 1.167 495 W CB 1.635 31.041 29.460 -0.090 0.000 1.431 495 W HN 0.929 nan 8.180 nan 0.000 0.543 496 Q N 1.061 120.472 119.800 -0.648 0.000 2.330 496 Q HA 0.019 4.359 4.340 0.001 0.000 0.279 496 Q C 1.418 177.094 176.000 -0.540 0.000 1.024 496 Q CA 1.058 56.170 55.803 -1.152 0.000 0.900 496 Q CB 1.370 29.781 28.738 -0.545 0.000 1.221 496 Q HN 0.725 nan 8.270 nan 0.000 0.396 497 T N 2.124 116.354 114.554 -0.541 0.000 2.622 497 T HA -0.109 4.242 4.350 0.001 0.000 0.266 497 T C 0.904 175.482 174.700 -0.203 0.000 1.047 497 T CA 1.039 62.975 62.100 -0.272 0.000 1.159 497 T CB -0.132 68.622 68.868 -0.190 0.000 0.863 497 T HN 0.538 nan 8.240 nan 0.000 0.422 498 I N 2.062 122.521 120.570 -0.184 0.000 2.385 498 I HA 0.299 4.470 4.170 0.001 0.000 0.294 498 I C 0.239 176.263 176.117 -0.156 0.000 0.988 498 I CA -0.864 60.348 61.300 -0.146 0.000 1.265 498 I CB 1.557 39.492 38.000 -0.107 0.000 1.388 498 I HN 0.318 nan 8.210 nan 0.000 0.480 499 Q N 5.570 125.282 119.800 -0.148 0.000 2.297 499 Q HA 0.091 4.432 4.340 0.001 0.000 0.267 499 Q C -0.783 175.095 176.000 -0.202 0.000 1.006 499 Q CA -0.390 55.328 55.803 -0.142 0.000 0.896 499 Q CB 0.780 29.458 28.738 -0.101 0.000 1.186 499 Q HN 0.429 nan 8.270 nan 0.000 0.392 500 Q N 1.549 121.107 119.800 -0.404 0.000 2.221 500 Q HA 0.472 4.813 4.340 0.001 0.000 0.242 500 Q C -0.775 174.883 176.000 -0.570 0.000 0.940 500 Q CA -0.263 55.168 55.803 -0.619 0.000 0.896 500 Q CB 1.980 29.958 28.738 -1.266 0.000 1.226 500 Q HN 0.816 nan 8.270 nan 0.000 0.463 501 S N -0.627 114.912 115.700 -0.270 0.000 2.579 501 S HA 0.657 5.127 4.470 0.001 0.000 0.272 501 S C -1.731 173.037 174.600 0.280 0.000 1.141 501 S CA -0.898 57.321 58.200 0.032 0.000 0.843 501 S CB 1.567 64.809 63.200 0.070 0.000 1.122 501 S HN 0.576 nan 8.310 nan 0.000 0.468 502 W N 2.202 123.626 121.300 0.205 0.000 2.631 502 W HA 0.487 5.148 4.660 0.001 0.000 0.321 502 W C -1.610 174.979 176.519 0.117 0.000 1.004 502 W CA -1.389 56.089 57.345 0.220 0.000 1.291 502 W CB 0.810 30.416 29.460 0.244 0.000 1.300 502 W HN 0.895 nan 8.180 nan 0.000 0.422 503 N N 6.561 125.485 118.700 0.374 0.000 2.706 503 N HA 0.363 5.103 4.740 0.001 0.000 0.240 503 N C -2.283 173.293 175.510 0.110 0.000 1.039 503 N CA -0.908 52.248 53.050 0.177 0.000 0.888 503 N CB 1.911 40.481 38.487 0.138 0.000 1.128 503 N HN 0.082 nan 8.380 nan 0.000 0.512 504 P HA 0.332 nan 4.420 nan 0.000 0.307 504 P C -0.481 176.659 177.300 -0.266 0.000 1.307 504 P CA -0.559 62.510 63.100 -0.051 0.000 0.814 504 P CB 1.103 32.756 31.700 -0.079 0.000 1.311 505 V N 2.939 122.641 119.914 -0.354 0.000 2.529 505 V HA 0.114 4.235 4.120 0.001 0.000 0.292 505 V C -1.647 174.063 176.094 -0.641 0.000 1.028 505 V CA -0.909 60.936 62.300 -0.759 0.000 1.074 505 V CB -0.023 31.525 31.823 -0.459 0.000 0.958 505 V HN 0.595 nan 8.190 nan 0.000 0.481 506 P HA 0.016 nan 4.420 nan 0.000 0.269 506 P C 0.588 177.708 177.300 -0.301 0.000 1.215 506 P CA -0.330 62.522 63.100 -0.413 0.000 0.780 506 P CB 1.122 32.622 31.700 -0.334 0.000 0.898 507 L N 1.354 122.466 121.223 -0.185 0.000 2.275 507 L HA -0.074 4.267 4.340 0.001 0.000 0.215 507 L C 0.910 177.714 176.870 -0.110 0.000 1.119 507 L CA 1.835 56.595 54.840 -0.134 0.000 0.790 507 L CB -1.086 40.919 42.059 -0.090 0.000 0.919 507 L HN 0.374 nan 8.230 nan 0.000 0.443 508 K N -1.594 118.745 120.400 -0.102 0.000 2.118 508 K HA 0.413 4.734 4.320 0.001 0.000 0.254 508 K C -0.173 176.389 176.600 -0.064 0.000 0.961 508 K CA -0.570 55.678 56.287 -0.065 0.000 0.876 508 K CB -0.046 32.432 32.500 -0.036 0.000 1.077 508 K HN -0.199 nan 8.250 nan 0.000 0.440 509 T N 2.528 117.062 114.554 -0.033 0.000 2.870 509 T HA 0.328 4.679 4.350 0.001 0.000 0.300 509 T C -0.263 174.461 174.700 0.040 0.000 0.989 509 T CA 0.048 62.146 62.100 -0.004 0.000 1.139 509 T CB 0.131 68.999 68.868 -0.001 0.000 0.920 509 T HN 0.782 nan 8.240 nan 0.000 0.537 510 T N 0.552 115.168 114.554 0.104 0.000 2.606 510 T HA 0.687 5.038 4.350 0.001 0.000 0.280 510 T C -0.778 174.068 174.700 0.243 0.000 1.074 510 T CA -0.974 61.227 62.100 0.167 0.000 1.140 510 T CB 1.126 70.133 68.868 0.231 0.000 1.631 510 T HN 0.627 nan 8.240 nan 0.000 0.464 511 S N 0.338 116.204 115.700 0.276 0.000 2.541 511 S HA 0.574 5.044 4.470 0.001 0.000 0.271 511 S C -1.599 173.050 174.600 0.081 0.000 1.133 511 S CA -0.839 57.485 58.200 0.207 0.000 0.876 511 S CB 1.658 64.916 63.200 0.097 0.000 1.105 511 S HN 0.912 nan 8.310 nan 0.000 0.470 512 H N 1.800 120.727 119.070 -0.238 0.000 2.595 512 H HA 0.524 5.081 4.556 0.001 0.000 0.313 512 H C -1.017 174.188 175.328 -0.205 0.000 1.023 512 H CA 0.029 55.748 56.048 -0.548 0.000 1.218 512 H CB 1.052 30.129 29.762 -1.142 0.000 1.403 512 H HN 0.746 nan 8.280 nan 0.000 0.477 513 T N 3.967 118.390 114.554 -0.218 0.000 2.824 513 T HA 0.465 4.816 4.350 0.001 0.000 0.280 513 T C -0.373 174.307 174.700 -0.033 0.000 0.995 513 T CA -0.643 61.437 62.100 -0.033 0.000 1.009 513 T CB 1.118 69.961 68.868 -0.041 0.000 0.955 513 T HN 0.704 nan 8.240 nan 0.000 0.452 514 S N 1.372 117.137 115.700 0.109 0.000 2.596 514 S HA 0.741 5.212 4.470 0.001 0.000 0.270 514 S C -0.973 173.709 174.600 0.137 0.000 1.155 514 S CA -0.950 57.314 58.200 0.107 0.000 0.827 514 S CB 1.637 64.940 63.200 0.171 0.000 1.130 514 S HN 0.471 nan 8.310 nan 0.000 0.467 515 S N 1.149 116.919 115.700 0.118 0.000 2.593 515 S HA 0.509 4.980 4.470 0.001 0.000 0.297 515 S C -0.314 174.408 174.600 0.204 0.000 1.112 515 S CA -0.774 57.526 58.200 0.167 0.000 1.043 515 S CB 0.652 63.928 63.200 0.126 0.000 1.054 515 S HN 0.669 nan 8.310 nan 0.000 0.516 516 W N 0.000 121.340 121.300 0.067 0.000 2.388 516 W HA 0.000 4.661 4.660 0.001 0.000 0.303 516 W CA 0.000 57.383 57.345 0.063 0.000 1.226 516 W CB 0.000 29.493 29.460 0.055 0.000 1.126 516 W HN 0.000 nan 8.180 nan 0.000 0.535