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 3l9i_1_A DATA FIRST_RESID 3 DATA SEQUENCE DGKPVWAPHP TDGFQVGNIV DIGPDSLTIE PLNXXGKTFL ALINQVFPAE DATA SEQUENCE EDSKKDVEDN CSLMYLNEAT LLHNIKVRYS KDRIYTYVAN ILIAVNPYFD DATA SEQUENCE IPKIYSSETI KSYQGKSLGT MPPHVFAIAD KAFRDMKVLK LSQSIIVSGE DATA SEQUENCE SGAGKTENTK FVLRYLTESY GTGQDIDDRI VEANPLLEAF GNAKTVRNNN DATA SEQUENCE SSRFGKFVEI HFNEKSSVVG GFVSHYLLEK SRICVQGKEE RNYHIFYRLC DATA SEQUENCE AGASEDIRER LHLSSPDNFR YLNRGCTRYF ANKETDKQIL QNRKSPEYLK DATA SEQUENCE AGSLKDPGLD DHGDFIRMCT AMKKIGLDDE EKLDLFRVVA GVLHLGNIDF DATA SEQUENCE EEAGSXXGGC NLKNKSTQAL EYCAELLGLD QDDLRVSLTT RVMLTTAGGA DATA SEQUENCE KGTVIKVPLK VEQANNARDA LAKTVYSHLF DHVVNRVNQC FPFETSSYFI DATA SEQUENCE GVLDIAGFEY FEHNSFEQFC INYCNEKLQQ FFNERILKEE QELYQKEGLG DATA SEQUENCE VNEVHYVDNQ DCIDLIEARL VGILDILDEE NRLPQPSDQH FTSAVHQKHK DATA SEQUENCE DHFRLSIPRK SKLAIHRNIR DDEGFIIRHF AGAVCYETTQ FVEKNNDALH DATA SEQUENCE MSLESLICES RDKFIRELFE XXXXXXXXXX XXXXXXXFIS VGNKFKTQLN DATA SEQUENCE LLLDKLRSTG ASFIRCIKPN LKMTSHHFEG AQILSQLQCS GMVSVLDLMQ DATA SEQUENCE GGFPSRASFH ELYNMYKKYM PDKLARLDPR LFCKALFKAL GLNEIDYKFG DATA SEQUENCE LTKVFFRPGK FAEFDQIMKS DPDHLAELVK RVNHWLICSR WKKVQWCSLS DATA SEQUENCE VIKLKNKIKY RA 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.280 176.300 -0.033 0.000 2.045 3 D CA 0.000 53.986 54.000 -0.023 0.000 0.868 3 D CB 0.000 40.790 40.800 -0.017 0.000 0.688 4 G N 1.296 110.077 108.800 -0.033 0.000 3.678 4 G HA2 0.440 4.594 3.960 0.323 0.000 0.287 4 G HA3 0.440 4.594 3.960 0.323 0.000 0.287 4 G C 0.281 175.150 174.900 -0.052 0.000 1.280 4 G CA 0.464 45.539 45.100 -0.041 0.000 1.118 4 G HN 0.635 nan 8.290 nan 0.000 0.563 5 K N 1.307 121.674 120.400 -0.055 0.000 2.202 5 K HA 0.377 4.891 4.320 0.323 0.000 0.264 5 K C -2.499 174.034 176.600 -0.111 0.000 1.010 5 K CA -1.733 54.513 56.287 -0.069 0.000 0.940 5 K CB 0.780 33.250 32.500 -0.050 0.000 0.983 5 K HN -0.035 nan 8.250 nan 0.000 0.475 6 P HA -0.022 nan 4.420 nan 0.000 0.271 6 P C -0.438 176.697 177.300 -0.275 0.000 1.216 6 P CA -0.345 62.616 63.100 -0.231 0.000 0.771 6 P CB 0.938 32.462 31.700 -0.294 0.000 0.864 7 V N 0.216 119.970 119.914 -0.266 0.000 3.046 7 V HA 0.617 4.931 4.120 0.323 0.000 0.316 7 V C -0.955 174.979 176.094 -0.266 0.000 1.104 7 V CA -1.355 60.803 62.300 -0.237 0.000 1.006 7 V CB 1.697 33.455 31.823 -0.108 0.000 1.058 7 V HN 0.424 nan 8.190 nan 0.000 0.440 8 W N 1.424 122.721 121.300 -0.006 0.000 2.351 8 W HA 0.802 5.657 4.660 0.325 0.000 0.311 8 W C 0.260 176.927 176.519 0.247 0.000 1.168 8 W CA 0.132 57.518 57.345 0.069 0.000 1.200 8 W CB 1.713 31.074 29.460 -0.164 0.000 1.221 8 W HN 1.021 nan 8.180 nan 0.000 0.519 9 A N 4.640 127.874 122.820 0.691 0.000 2.479 9 A HA 0.828 5.342 4.320 0.323 0.000 0.296 9 A C -2.811 175.235 177.584 0.769 0.000 1.121 9 A CA -2.034 50.406 52.037 0.671 0.000 0.743 9 A CB 1.171 20.437 19.000 0.444 0.000 1.323 9 A HN 0.340 nan 8.150 nan 0.000 0.415 10 P HA 0.319 nan 4.420 nan 0.000 0.268 10 P C -0.989 176.386 177.300 0.124 0.000 1.205 10 P CA 0.727 63.930 63.100 0.172 0.000 0.771 10 P CB 0.274 32.038 31.700 0.106 0.000 0.858 11 H N 3.239 122.257 119.070 -0.087 0.000 2.771 11 H HA 0.329 5.078 4.556 0.323 0.000 0.361 11 H C -1.861 173.398 175.328 -0.115 0.000 1.108 11 H CA -2.086 53.904 56.048 -0.097 0.000 1.201 11 H CB 1.921 31.687 29.762 0.006 0.000 1.681 11 H HN 0.207 nan 8.280 nan 0.000 0.534 12 P HA -0.096 nan 4.420 nan 0.000 0.223 12 P C 0.813 178.125 177.300 0.021 0.000 1.151 12 P CA 1.432 64.458 63.100 -0.123 0.000 0.787 12 P CB 0.440 32.024 31.700 -0.194 0.000 0.788 13 T N -5.653 109.035 114.554 0.223 0.000 2.964 13 T HA 0.122 4.665 4.350 0.323 0.000 0.249 13 T C 1.198 175.972 174.700 0.124 0.000 1.000 13 T CA 0.026 62.222 62.100 0.161 0.000 0.992 13 T CB -0.419 68.539 68.868 0.150 0.000 1.087 13 T HN -0.156 nan 8.240 nan 0.000 0.489 14 D N 1.213 121.704 120.400 0.153 0.000 2.349 14 D HA 0.291 5.125 4.640 0.323 0.000 0.215 14 D C 1.865 178.182 176.300 0.030 0.000 1.016 14 D CA 1.077 55.080 54.000 0.003 0.000 0.870 14 D CB 0.301 40.985 40.800 -0.193 0.000 0.917 14 D HN 0.627 nan 8.370 nan 0.000 0.524 15 G N 0.384 109.186 108.800 0.002 0.000 3.329 15 G HA2 -0.276 3.878 3.960 0.323 0.000 0.220 15 G HA3 -0.276 3.878 3.960 0.323 0.000 0.220 15 G C 0.141 174.784 174.900 -0.428 0.000 1.358 15 G CA 0.051 45.035 45.100 -0.194 0.000 0.856 15 G HN 0.282 nan 8.290 nan 0.000 0.551 16 F N 1.771 121.778 119.950 0.095 0.000 2.603 16 F HA 0.718 5.438 4.527 0.323 0.000 0.317 16 F C 0.251 176.239 175.800 0.315 0.000 1.066 16 F CA -0.263 57.863 58.000 0.211 0.000 0.941 16 F CB 2.114 41.165 39.000 0.086 0.000 1.291 16 F HN 0.572 nan 8.300 nan 0.000 0.472 17 Q N 0.144 120.370 119.800 0.710 0.000 2.451 17 Q HA 0.798 5.332 4.340 0.323 0.000 0.281 17 Q C -1.899 174.402 176.000 0.502 0.000 1.099 17 Q CA -1.189 54.956 55.803 0.570 0.000 0.806 17 Q CB 2.399 31.372 28.738 0.392 0.000 1.419 17 Q HN 0.394 nan 8.270 nan 0.000 0.427 18 V N 0.835 120.835 119.914 0.144 0.000 2.583 18 V HA 0.750 5.064 4.120 0.323 0.000 0.287 18 V C 0.452 176.524 176.094 -0.037 0.000 1.051 18 V CA 0.524 62.690 62.300 -0.223 0.000 1.010 18 V CB 0.662 32.242 31.823 -0.405 0.000 0.988 18 V HN 0.908 nan 8.190 nan 0.000 0.478 19 G N 3.462 112.217 108.800 -0.074 0.000 2.645 19 G HA2 0.548 4.702 3.960 0.323 0.000 0.292 19 G HA3 0.548 4.702 3.960 0.323 0.000 0.292 19 G C -1.596 173.257 174.900 -0.078 0.000 1.415 19 G CA -0.940 44.150 45.100 -0.017 0.000 0.785 19 G HN 0.627 nan 8.290 nan 0.000 0.483 20 N N -1.035 117.625 118.700 -0.067 0.000 2.314 20 N HA 0.529 5.463 4.740 0.323 0.000 0.304 20 N C -0.725 174.731 175.510 -0.091 0.000 1.073 20 N CA -0.667 52.335 53.050 -0.080 0.000 0.822 20 N CB 2.662 41.111 38.487 -0.063 0.000 1.280 20 N HN 0.338 nan 8.380 nan 0.000 0.489 21 I N 2.251 122.767 120.570 -0.090 0.000 2.379 21 I HA 0.027 4.390 4.170 0.323 0.000 0.290 21 I C 1.234 177.304 176.117 -0.078 0.000 1.063 21 I CA -0.199 61.044 61.300 -0.095 0.000 1.351 21 I CB 0.706 38.655 38.000 -0.086 0.000 1.410 21 I HN 0.511 nan 8.210 nan 0.000 0.505 22 V N 0.853 120.718 119.914 -0.082 0.000 3.570 22 V HA 0.382 4.695 4.120 0.323 0.000 0.257 22 V C 0.233 176.294 176.094 -0.055 0.000 1.272 22 V CA 0.472 62.735 62.300 -0.061 0.000 1.079 22 V CB 0.381 32.172 31.823 -0.055 0.000 0.829 22 V HN 0.660 nan 8.190 nan 0.000 0.454 23 D N 0.168 120.529 120.400 -0.065 0.000 2.570 23 D HA 0.620 5.453 4.640 0.323 0.000 0.244 23 D C -1.302 174.962 176.300 -0.058 0.000 1.178 23 D CA -0.299 53.669 54.000 -0.053 0.000 0.881 23 D CB 2.762 43.534 40.800 -0.047 0.000 1.453 23 D HN 0.319 nan 8.370 nan 0.000 0.447 24 I N -1.223 119.319 120.570 -0.046 0.000 2.740 24 I HA 0.972 5.336 4.170 0.323 0.000 0.303 24 I C 0.080 176.176 176.117 -0.035 0.000 1.044 24 I CA -0.679 60.594 61.300 -0.044 0.000 1.064 24 I CB 1.778 39.754 38.000 -0.039 0.000 1.249 24 I HN 0.309 nan 8.210 nan 0.000 0.433 25 G N 2.814 111.594 108.800 -0.033 0.000 2.949 25 G HA2 0.680 4.833 3.960 0.323 0.000 0.285 25 G HA3 0.680 4.833 3.960 0.323 0.000 0.285 25 G C -2.422 172.464 174.900 -0.022 0.000 1.395 25 G CA -1.128 43.957 45.100 -0.025 0.000 0.901 25 G HN 0.469 nan 8.290 nan 0.000 0.519 26 P HA 0.027 nan 4.420 nan 0.000 0.215 26 P C 0.829 178.120 177.300 -0.015 0.000 1.157 26 P CA 1.720 64.811 63.100 -0.014 0.000 0.863 26 P CB 0.283 31.977 31.700 -0.010 0.000 0.787 27 D N -1.864 118.527 120.400 -0.014 0.000 2.479 27 D HA 0.045 4.879 4.640 0.323 0.000 0.221 27 D C 0.577 176.866 176.300 -0.018 0.000 1.104 27 D CA 0.200 54.192 54.000 -0.014 0.000 0.849 27 D CB -0.007 40.789 40.800 -0.007 0.000 1.072 27 D HN 0.237 nan 8.370 nan 0.000 0.502 28 S N -0.316 115.372 115.700 -0.021 0.000 2.709 28 S HA 0.734 5.397 4.470 0.323 0.000 0.302 28 S C -0.753 173.820 174.600 -0.045 0.000 1.127 28 S CA -0.843 57.341 58.200 -0.027 0.000 0.905 28 S CB 1.972 65.163 63.200 -0.014 0.000 1.151 28 S HN 0.110 nan 8.310 nan 0.000 0.510 29 L N 0.901 122.085 121.223 -0.065 0.000 2.370 29 L HA 0.542 5.076 4.340 0.323 0.000 0.266 29 L C -0.479 176.310 176.870 -0.135 0.000 1.002 29 L CA -0.771 54.014 54.840 -0.091 0.000 0.818 29 L CB 2.562 44.562 42.059 -0.100 0.000 1.325 29 L HN 0.717 nan 8.230 nan 0.000 0.418 30 T N 3.620 118.091 114.554 -0.138 0.000 2.744 30 T HA 0.505 5.049 4.350 0.323 0.000 0.291 30 T C -0.173 174.377 174.700 -0.250 0.000 0.957 30 T CA -0.284 61.707 62.100 -0.182 0.000 1.002 30 T CB 0.586 69.388 68.868 -0.109 0.000 0.919 30 T HN 0.130 nan 8.240 nan 0.000 0.468 31 I N 3.083 123.378 120.570 -0.459 0.000 2.377 31 I HA 0.356 4.720 4.170 0.323 0.000 0.293 31 I C 0.458 176.370 176.117 -0.342 0.000 0.987 31 I CA -1.003 59.998 61.300 -0.498 0.000 1.185 31 I CB 1.574 39.048 38.000 -0.877 0.000 1.341 31 I HN 0.694 nan 8.210 nan 0.000 0.455 32 E N 8.138 128.256 120.200 -0.137 0.000 2.055 32 E HA 0.399 4.943 4.350 0.323 0.000 0.274 32 E C -2.445 174.190 176.600 0.060 0.000 0.949 32 E CA -1.820 54.572 56.400 -0.014 0.000 0.775 32 E CB 1.212 30.900 29.700 -0.020 0.000 1.097 32 E HN 0.258 nan 8.360 nan 0.000 0.404 33 P HA -0.052 nan 4.420 nan 0.000 0.268 33 P C 0.449 177.808 177.300 0.097 0.000 1.205 33 P CA -0.142 63.077 63.100 0.198 0.000 0.771 33 P CB 0.714 32.566 31.700 0.253 0.000 0.858 34 L N 1.868 123.129 121.223 0.063 0.000 2.261 34 L HA -0.127 4.407 4.340 0.323 0.000 0.216 34 L C 1.274 178.163 176.870 0.032 0.000 1.114 34 L CA 1.351 56.202 54.840 0.019 0.000 0.777 34 L CB -0.740 41.309 42.059 -0.018 0.000 0.910 34 L HN 0.416 nan 8.230 nan 0.000 0.440 39 K N 2.777 123.221 120.400 0.072 0.000 2.502 39 K HA 0.336 4.850 4.320 0.323 0.000 0.244 39 K C 1.237 177.932 176.600 0.158 0.000 1.249 39 K CA -0.069 56.274 56.287 0.094 0.000 1.193 39 K CB -0.159 32.392 32.500 0.084 0.000 1.674 39 K HN 0.496 nan 8.250 nan 0.000 0.302 40 T N -0.694 113.930 114.554 0.116 0.000 2.855 40 T HA 0.302 4.846 4.350 0.323 0.000 0.322 40 T C 0.230 175.057 174.700 0.212 0.000 1.088 40 T CA -0.438 61.725 62.100 0.105 0.000 1.104 40 T CB 0.123 68.994 68.868 0.005 0.000 0.996 40 T HN 0.303 nan 8.240 nan 0.000 0.549 41 F N -0.961 118.998 119.950 0.014 0.000 2.662 41 F HA 0.720 5.441 4.527 0.323 0.000 0.312 41 F C -1.567 174.241 175.800 0.013 0.000 1.113 41 F CA -1.855 56.151 58.000 0.011 0.000 0.951 41 F CB 1.138 40.145 39.000 0.011 0.000 1.344 41 F HN 0.520 nan 8.300 nan 0.000 0.462 42 L N 2.371 123.659 121.223 0.108 0.000 2.334 42 L HA 0.819 5.352 4.340 0.323 0.000 0.277 42 L C -0.147 176.779 176.870 0.094 0.000 1.075 42 L CA -0.904 53.939 54.840 0.006 0.000 0.804 42 L CB 1.544 43.626 42.059 0.038 0.000 1.174 42 L HN 0.954 nan 8.230 nan 0.000 0.438 43 A N 3.748 126.564 122.820 -0.005 0.000 2.422 43 A HA 0.645 5.159 4.320 0.323 0.000 0.302 43 A C -0.746 176.853 177.584 0.025 0.000 1.041 43 A CA -0.644 51.438 52.037 0.074 0.000 0.708 43 A CB 1.104 20.160 19.000 0.092 0.000 1.257 43 A HN 0.607 nan 8.150 nan 0.000 0.414 44 L N 2.749 123.998 121.223 0.042 0.000 2.514 44 L HA 0.052 4.586 4.340 0.323 0.000 0.280 44 L C 1.447 178.305 176.870 -0.020 0.000 1.223 44 L CA 0.002 54.849 54.840 0.012 0.000 0.864 44 L CB 0.270 42.343 42.059 0.023 0.000 1.118 44 L HN 0.797 nan 8.230 nan 0.000 0.494 45 I N 1.979 122.523 120.570 -0.044 0.000 2.264 45 I HA -0.297 4.067 4.170 0.323 0.000 0.248 45 I C 1.866 177.896 176.117 -0.145 0.000 1.111 45 I CA 1.374 62.624 61.300 -0.083 0.000 1.382 45 I CB -0.241 37.719 38.000 -0.067 0.000 1.060 45 I HN 0.871 nan 8.210 nan 0.000 0.418 46 N N 0.520 119.150 118.700 -0.118 0.000 2.461 46 N HA -0.133 4.801 4.740 0.323 0.000 0.188 46 N C 1.073 176.446 175.510 -0.228 0.000 1.134 46 N CA 0.597 53.545 53.050 -0.170 0.000 0.878 46 N CB -0.288 38.166 38.487 -0.055 0.000 0.972 46 N HN 0.480 nan 8.380 nan 0.000 0.456 47 Q N -0.165 119.552 119.800 -0.138 0.000 2.198 47 Q HA 0.277 4.811 4.340 0.323 0.000 0.209 47 Q C -0.695 175.338 176.000 0.054 0.000 0.848 47 Q CA -0.096 55.745 55.803 0.064 0.000 0.974 47 Q CB 1.393 30.250 28.738 0.200 0.000 1.115 47 Q HN 0.137 nan 8.270 nan 0.000 0.494 48 V N 1.143 120.872 119.914 -0.309 0.000 2.495 48 V HA 0.477 4.791 4.120 0.323 0.000 0.298 48 V C -0.772 175.043 176.094 -0.466 0.000 1.031 48 V CA -0.515 61.690 62.300 -0.159 0.000 0.871 48 V CB 1.049 32.825 31.823 -0.079 0.000 0.988 48 V HN 0.072 nan 8.190 nan 0.000 0.432 49 F N 4.982 124.941 119.950 0.014 0.000 2.576 49 F HA 0.623 5.344 4.527 0.324 0.000 0.313 49 F C -2.280 173.451 175.800 -0.115 0.000 1.078 49 F CA -2.517 55.447 58.000 -0.059 0.000 0.921 49 F CB 2.475 41.407 39.000 -0.114 0.000 1.232 49 F HN 0.295 nan 8.300 nan 0.000 0.459 50 P HA 0.255 nan 4.420 nan 0.000 0.271 50 P C -1.171 175.942 177.300 -0.312 0.000 1.218 50 P CA -0.144 62.689 63.100 -0.445 0.000 0.780 50 P CB 0.945 31.967 31.700 -1.130 0.000 0.901 51 A N 2.317 124.953 122.820 -0.307 0.000 2.340 51 A HA 0.414 4.927 4.320 0.323 0.000 0.331 51 A C 0.099 177.719 177.584 0.059 0.000 1.140 51 A CA -0.684 51.246 52.037 -0.177 0.000 0.801 51 A CB 0.554 19.125 19.000 -0.715 0.000 1.234 51 A HN 0.453 nan 8.150 nan 0.000 0.469 52 E N 1.291 121.616 120.200 0.209 0.000 2.384 52 E HA 0.012 4.556 4.350 0.323 0.000 0.266 52 E C 0.424 177.058 176.600 0.056 0.000 1.012 52 E CA -0.124 56.389 56.400 0.189 0.000 0.901 52 E CB 0.769 30.578 29.700 0.183 0.000 0.967 52 E HN 0.665 nan 8.360 nan 0.000 0.435 53 E N 1.159 121.387 120.200 0.047 0.000 2.110 53 E HA -0.150 4.393 4.350 0.323 0.000 0.193 53 E C 0.214 176.812 176.600 -0.004 0.000 0.988 53 E CA 0.872 57.272 56.400 -0.001 0.000 0.804 53 E CB 0.164 29.869 29.700 0.008 0.000 0.745 53 E HN 0.374 nan 8.360 nan 0.000 0.458 54 D N 0.522 120.934 120.400 0.021 0.000 2.393 54 D HA 0.020 4.854 4.640 0.323 0.000 0.232 54 D C 0.842 177.193 176.300 0.086 0.000 1.192 54 D CA -0.055 53.965 54.000 0.035 0.000 0.882 54 D CB 0.781 41.596 40.800 0.024 0.000 1.038 54 D HN -0.120 nan 8.370 nan 0.000 0.499 55 S N 3.460 119.211 115.700 0.084 0.000 2.515 55 S HA -0.047 4.617 4.470 0.323 0.000 0.231 55 S C 1.157 175.928 174.600 0.285 0.000 0.987 55 S CA 0.398 58.711 58.200 0.189 0.000 0.936 55 S CB 0.145 63.394 63.200 0.082 0.000 0.766 55 S HN 0.323 nan 8.310 nan 0.000 0.528 56 K N 1.203 121.689 120.400 0.142 0.000 2.358 56 K HA 0.259 4.773 4.320 0.323 0.000 0.200 56 K C 0.351 176.984 176.600 0.055 0.000 1.030 56 K CA -0.082 56.258 56.287 0.087 0.000 1.097 56 K CB 0.151 32.680 32.500 0.049 0.000 0.862 56 K HN 0.515 nan 8.250 nan 0.000 0.534 57 K N 2.857 123.301 120.400 0.073 0.000 2.485 57 K HA -0.083 4.431 4.320 0.323 0.000 0.277 57 K C -0.609 176.010 176.600 0.032 0.000 0.990 57 K CA 0.390 56.706 56.287 0.049 0.000 0.994 57 K CB 0.413 32.949 32.500 0.059 0.000 0.906 57 K HN -0.095 nan 8.250 nan 0.000 0.488 58 D N 3.604 124.012 120.400 0.014 0.000 2.855 58 D HA 0.270 5.104 4.640 0.323 0.000 0.241 58 D C -1.362 174.950 176.300 0.020 0.000 1.277 58 D CA -0.737 53.263 54.000 0.000 0.000 0.918 58 D CB 1.496 42.283 40.800 -0.022 0.000 1.462 58 D HN 0.295 nan 8.370 nan 0.000 0.559 59 V N 0.886 120.820 119.914 0.033 0.000 2.715 59 V HA 0.583 4.897 4.120 0.323 0.000 0.310 59 V C 0.944 177.071 176.094 0.055 0.000 1.054 59 V CA -0.611 61.721 62.300 0.053 0.000 0.928 59 V CB 1.841 33.709 31.823 0.074 0.000 1.007 59 V HN 0.578 nan 8.190 nan 0.000 0.437 60 E N 0.804 121.046 120.200 0.070 0.000 2.158 60 E HA -0.019 4.525 4.350 0.323 0.000 0.191 60 E C -0.090 176.586 176.600 0.127 0.000 0.982 60 E CA 1.122 57.565 56.400 0.071 0.000 0.823 60 E CB 0.304 30.060 29.700 0.094 0.000 0.766 60 E HN 0.860 nan 8.360 nan 0.000 0.468 61 D N -0.280 120.215 120.400 0.159 0.000 2.481 61 D HA 0.093 4.927 4.640 0.323 0.000 0.246 61 D C 0.286 176.670 176.300 0.140 0.000 1.109 61 D CA -0.345 53.772 54.000 0.194 0.000 0.845 61 D CB 0.736 41.648 40.800 0.188 0.000 1.160 61 D HN -0.169 nan 8.370 nan 0.000 0.534 62 N N 2.187 120.968 118.700 0.135 0.000 2.430 62 N HA -0.129 4.804 4.740 0.323 0.000 0.186 62 N C 1.421 177.004 175.510 0.122 0.000 1.032 62 N CA 0.596 53.715 53.050 0.115 0.000 0.893 62 N CB -0.000 38.548 38.487 0.102 0.000 0.957 62 N HN 0.469 nan 8.380 nan 0.000 0.442 63 C N 0.356 119.730 119.300 0.124 0.000 2.449 63 C HA 0.036 4.689 4.460 0.323 0.000 0.283 63 C C 2.483 177.552 174.990 0.133 0.000 1.453 63 C CA 0.325 59.416 59.018 0.121 0.000 1.779 63 C CB -1.145 26.654 27.740 0.098 0.000 1.779 63 C HN 0.378 nan 8.230 nan 0.000 0.546 64 S N 0.375 116.160 115.700 0.140 0.000 2.562 64 S HA 0.160 4.824 4.470 0.323 0.000 0.221 64 S C 0.667 175.416 174.600 0.247 0.000 0.975 64 S CA 0.195 58.514 58.200 0.199 0.000 0.918 64 S CB -0.137 63.158 63.200 0.157 0.000 0.772 64 S HN 0.555 nan 8.310 nan 0.000 0.531 65 L N 1.178 122.500 121.223 0.165 0.000 2.467 65 L HA 0.193 4.727 4.340 0.323 0.000 0.270 65 L C 1.552 178.457 176.870 0.058 0.000 1.205 65 L CA -0.051 54.847 54.840 0.097 0.000 0.828 65 L CB 0.236 42.363 42.059 0.114 0.000 1.101 65 L HN 0.199 nan 8.230 nan 0.000 0.479 66 M N 0.907 120.394 119.600 -0.188 0.000 2.349 66 M HA 0.002 4.675 4.480 0.323 0.000 0.266 66 M C -0.567 175.441 176.300 -0.486 0.000 1.076 66 M CA 1.301 56.309 55.300 -0.488 0.000 1.126 66 M CB 0.220 32.353 32.600 -0.779 0.000 1.392 66 M HN 0.363 nan 8.290 nan 0.000 0.440 67 Y N 0.012 120.330 120.300 0.030 0.000 2.338 67 Y HA 0.465 5.209 4.550 0.323 0.000 0.333 67 Y C -0.833 175.113 175.900 0.078 0.000 0.968 67 Y CA -1.348 56.795 58.100 0.071 0.000 1.123 67 Y CB 1.215 39.724 38.460 0.082 0.000 1.165 67 Y HN -0.126 nan 8.280 nan 0.000 0.452 68 L N 6.133 127.491 121.223 0.224 0.000 2.277 68 L HA 0.540 5.074 4.340 0.323 0.000 0.284 68 L C -0.976 175.960 176.870 0.110 0.000 1.028 68 L CA -0.449 54.478 54.840 0.146 0.000 0.835 68 L CB -0.265 41.874 42.059 0.132 0.000 1.215 68 L HN 0.891 nan 8.230 nan 0.000 0.425 69 N N 0.922 119.635 118.700 0.022 0.000 2.934 69 N HA 0.264 5.198 4.740 0.323 0.000 0.253 69 N C 0.155 175.491 175.510 -0.290 0.000 1.466 69 N CA -0.287 52.696 53.050 -0.112 0.000 0.858 69 N CB 0.394 38.829 38.487 -0.087 0.000 1.459 69 N HN 0.429 nan 8.380 nan 0.000 0.532 70 E N -0.889 119.021 120.200 -0.483 0.000 2.160 70 E HA -0.202 4.342 4.350 0.323 0.000 0.195 70 E C 1.287 177.603 176.600 -0.475 0.000 0.991 70 E CA 1.471 57.642 56.400 -0.381 0.000 0.810 70 E CB -0.280 29.259 29.700 -0.267 0.000 0.742 70 E HN 0.569 nan 8.360 nan 0.000 0.466 71 A N 1.827 124.088 122.820 -0.932 0.000 1.898 71 A HA -0.116 4.398 4.320 0.323 0.000 0.214 71 A C 2.536 179.616 177.584 -0.840 0.000 1.183 71 A CA 1.846 53.176 52.037 -1.179 0.000 0.622 71 A CB -1.001 16.925 19.000 -1.791 0.000 0.824 71 A HN 0.469 nan 8.150 nan 0.000 0.444 72 T N -1.475 112.820 114.554 -0.432 0.000 2.867 72 T HA -0.079 4.465 4.350 0.323 0.000 0.268 72 T C 1.872 176.540 174.700 -0.055 0.000 1.057 72 T CA 1.339 63.389 62.100 -0.084 0.000 1.136 72 T CB -0.501 68.446 68.868 0.131 0.000 0.874 72 T HN 0.278 nan 8.240 nan 0.000 0.466 73 L N -0.021 121.144 121.223 -0.098 0.000 2.056 73 L HA 0.118 4.652 4.340 0.323 0.000 0.207 73 L C 2.476 179.324 176.870 -0.038 0.000 1.078 73 L CA 1.144 55.962 54.840 -0.036 0.000 0.749 73 L CB -0.476 41.570 42.059 -0.021 0.000 0.901 73 L HN 0.244 nan 8.230 nan 0.000 0.433 74 L N -0.309 120.864 121.223 -0.084 0.000 2.013 74 L HA -0.310 4.223 4.340 0.323 0.000 0.212 74 L C 2.505 179.356 176.870 -0.031 0.000 1.073 74 L CA 2.378 57.214 54.840 -0.007 0.000 0.753 74 L CB -0.765 41.292 42.059 -0.002 0.000 0.890 74 L HN 0.452 nan 8.230 nan 0.000 0.432 75 H N -1.017 117.895 119.070 -0.263 0.000 2.357 75 H HA -0.141 4.609 4.556 0.323 0.000 0.301 75 H C 2.156 177.421 175.328 -0.104 0.000 1.082 75 H CA 1.958 57.875 56.048 -0.218 0.000 1.342 75 H CB -0.123 29.522 29.762 -0.194 0.000 1.389 75 H HN 0.489 nan 8.280 nan 0.000 0.511 76 N N 0.341 118.990 118.700 -0.085 0.000 2.069 76 N HA -0.146 4.788 4.740 0.323 0.000 0.191 76 N C 2.121 177.547 175.510 -0.140 0.000 1.031 76 N CA 1.887 54.874 53.050 -0.105 0.000 0.852 76 N CB -0.351 38.141 38.487 0.008 0.000 1.018 76 N HN 0.671 nan 8.380 nan 0.000 0.423 77 I N -1.872 118.648 120.570 -0.083 0.000 2.493 77 I HA -0.108 4.256 4.170 0.323 0.000 0.254 77 I C 2.135 178.158 176.117 -0.157 0.000 1.160 77 I CA 1.162 62.441 61.300 -0.035 0.000 1.445 77 I CB -0.270 37.771 38.000 0.069 0.000 1.086 77 I HN 0.095 nan 8.210 nan 0.000 0.433 78 K N 1.460 121.574 120.400 -0.477 0.000 2.025 78 K HA -0.093 4.421 4.320 0.323 0.000 0.207 78 K C 2.077 178.357 176.600 -0.532 0.000 1.049 78 K CA 1.884 57.533 56.287 -1.063 0.000 0.933 78 K CB -0.043 31.770 32.500 -1.145 0.000 0.714 78 K HN 0.292 nan 8.250 nan 0.000 0.438 79 V N 1.562 121.207 119.914 -0.449 0.000 2.295 79 V HA -0.248 4.066 4.120 0.323 0.000 0.246 79 V C 2.398 178.400 176.094 -0.154 0.000 1.049 79 V CA 1.909 64.032 62.300 -0.295 0.000 1.024 79 V CB -0.505 31.126 31.823 -0.319 0.000 0.648 79 V HN 0.352 nan 8.190 nan 0.000 0.447 80 R N -1.432 118.995 120.500 -0.120 0.000 2.075 80 R HA -0.175 4.358 4.340 0.323 0.000 0.232 80 R C 2.338 178.640 176.300 0.004 0.000 1.126 80 R CA 1.827 57.898 56.100 -0.048 0.000 0.963 80 R CB -0.516 29.766 30.300 -0.030 0.000 0.858 80 R HN 0.560 nan 8.270 nan 0.000 0.435 81 Y N 1.706 121.933 120.300 -0.121 0.000 2.207 81 Y HA -0.254 4.489 4.550 0.322 0.000 0.287 81 Y C 2.523 178.417 175.900 -0.010 0.000 1.156 81 Y CA 1.673 59.743 58.100 -0.049 0.000 1.182 81 Y CB -0.250 38.228 38.460 0.030 0.000 0.979 81 Y HN 0.090 nan 8.280 nan 0.000 0.521 82 S N -0.785 114.913 115.700 -0.004 0.000 2.474 82 S HA -0.122 4.542 4.470 0.323 0.000 0.235 82 S C 1.371 175.952 174.600 -0.030 0.000 0.997 82 S CA 1.028 59.215 58.200 -0.022 0.000 0.949 82 S CB -0.378 62.804 63.200 -0.030 0.000 0.766 82 S HN 0.513 nan 8.310 nan 0.000 0.517 83 K N 0.742 121.116 120.400 -0.043 0.000 2.440 83 K HA 0.176 4.690 4.320 0.323 0.000 0.206 83 K C -0.625 175.954 176.600 -0.035 0.000 1.025 83 K CA 0.171 56.440 56.287 -0.031 0.000 1.135 83 K CB 0.290 32.772 32.500 -0.030 0.000 0.856 83 K HN 0.093 nan 8.250 nan 0.000 0.502 84 D N 1.203 121.558 120.400 -0.075 0.000 2.911 84 D HA -0.181 4.652 4.640 0.323 0.000 0.227 84 D C -0.623 175.598 176.300 -0.132 0.000 1.164 84 D CA 0.992 54.930 54.000 -0.103 0.000 0.782 84 D CB -0.944 39.886 40.800 0.050 0.000 1.094 84 D HN 0.302 nan 8.370 nan 0.000 0.425 85 R N 0.771 121.209 120.500 -0.103 0.000 2.391 85 R HA 0.328 4.861 4.340 0.323 0.000 0.310 85 R C 2.023 178.258 176.300 -0.108 0.000 1.174 85 R CA -0.243 55.794 56.100 -0.106 0.000 1.118 85 R CB 0.061 30.326 30.300 -0.058 0.000 1.134 85 R HN 0.366 nan 8.270 nan 0.000 0.524 86 I N -1.761 118.657 120.570 -0.252 0.000 3.111 86 I HA 0.024 4.388 4.170 0.323 0.000 0.272 86 I C -0.277 175.621 176.117 -0.366 0.000 1.268 86 I CA 0.566 61.691 61.300 -0.293 0.000 1.467 86 I CB 0.111 37.820 38.000 -0.485 0.000 1.087 86 I HN 0.242 nan 8.210 nan 0.000 0.467 87 Y N 1.048 121.252 120.300 -0.159 0.000 2.393 87 Y HA 0.641 5.384 4.550 0.321 0.000 0.341 87 Y C -0.134 175.626 175.900 -0.234 0.000 0.988 87 Y CA -0.944 57.021 58.100 -0.224 0.000 1.078 87 Y CB 2.081 40.328 38.460 -0.354 0.000 1.203 87 Y HN -0.112 nan 8.280 nan 0.000 0.453 88 T N 1.658 116.175 114.554 -0.061 0.000 2.982 88 T HA 0.333 4.876 4.350 0.323 0.000 0.321 88 T C -1.349 173.302 174.700 -0.082 0.000 1.229 88 T CA -1.090 60.944 62.100 -0.108 0.000 1.044 88 T CB 0.806 69.674 68.868 0.001 0.000 1.184 88 T HN 0.377 nan 8.240 nan 0.000 0.477 89 Y N 0.448 120.801 120.300 0.088 0.000 2.335 89 Y HA 0.588 5.331 4.550 0.322 0.000 0.323 89 Y C 0.292 176.244 175.900 0.085 0.000 1.224 89 Y CA -1.119 57.032 58.100 0.085 0.000 1.241 89 Y CB 1.235 39.740 38.460 0.076 0.000 1.235 89 Y HN 0.271 nan 8.280 nan 0.000 0.492 90 V N 3.249 123.334 119.914 0.286 0.000 2.304 90 V HA 0.509 4.823 4.120 0.323 0.000 0.278 90 V C 0.469 176.657 176.094 0.157 0.000 1.018 90 V CA -0.180 62.234 62.300 0.190 0.000 0.814 90 V CB -0.159 31.755 31.823 0.151 0.000 1.021 90 V HN 1.137 nan 8.190 nan 0.000 0.440 91 A N 5.496 128.387 122.820 0.119 0.000 5.295 91 A HA -0.285 4.229 4.320 0.323 0.000 0.313 91 A C 1.425 178.980 177.584 -0.047 0.000 1.912 91 A CA 1.815 53.880 52.037 0.047 0.000 0.714 91 A CB -1.381 17.655 19.000 0.060 0.000 1.319 91 A HN 0.692 nan 8.150 nan 0.000 0.375 92 N N 0.544 119.227 118.700 -0.029 0.000 2.336 92 N HA 0.266 5.200 4.740 0.323 0.000 0.189 92 N C 0.169 175.724 175.510 0.075 0.000 1.113 92 N CA 0.744 53.743 53.050 -0.085 0.000 0.858 92 N CB -0.186 38.286 38.487 -0.024 0.000 0.970 92 N HN 0.625 nan 8.380 nan 0.000 0.471 93 I N 1.523 122.206 120.570 0.189 0.000 2.371 93 I HA 0.089 4.452 4.170 0.323 0.000 0.290 93 I C -0.044 176.278 176.117 0.340 0.000 1.028 93 I CA -0.700 60.773 61.300 0.288 0.000 1.345 93 I CB 0.967 39.155 38.000 0.312 0.000 1.407 93 I HN -0.148 nan 8.210 nan 0.000 0.501 94 L N 8.593 130.005 121.223 0.315 0.000 2.275 94 L HA 0.522 5.056 4.340 0.323 0.000 0.288 94 L C -0.496 176.490 176.870 0.194 0.000 1.046 94 L CA 0.108 55.120 54.840 0.286 0.000 0.805 94 L CB 0.700 42.881 42.059 0.202 0.000 1.193 94 L HN 0.390 nan 8.230 nan 0.000 0.426 95 I N 5.233 125.899 120.570 0.160 0.000 2.359 95 I HA 0.609 4.973 4.170 0.323 0.000 0.294 95 I C -0.098 176.096 176.117 0.129 0.000 0.987 95 I CA -0.456 60.919 61.300 0.125 0.000 1.225 95 I CB 1.624 39.684 38.000 0.101 0.000 1.366 95 I HN 0.787 nan 8.210 nan 0.000 0.466 96 A N 6.680 129.564 122.820 0.108 0.000 2.410 96 A HA 0.658 5.172 4.320 0.323 0.000 0.289 96 A C -0.836 176.725 177.584 -0.038 0.000 1.200 96 A CA -0.463 51.625 52.037 0.086 0.000 0.751 96 A CB 0.954 20.086 19.000 0.221 0.000 1.161 96 A HN 0.420 nan 8.150 nan 0.000 0.459 97 V N 3.266 123.121 119.914 -0.098 0.000 2.383 97 V HA 0.193 4.506 4.120 0.323 0.000 0.275 97 V C 0.500 176.533 176.094 -0.101 0.000 1.036 97 V CA -0.924 61.297 62.300 -0.131 0.000 0.889 97 V CB 1.218 32.915 31.823 -0.210 0.000 0.985 97 V HN 0.886 nan 8.190 nan 0.000 0.459 98 N N 8.130 126.726 118.700 -0.174 0.000 2.440 98 N HA 0.085 5.019 4.740 0.323 0.000 0.265 98 N C -1.163 174.265 175.510 -0.137 0.000 1.239 98 N CA -1.544 51.354 53.050 -0.254 0.000 0.909 98 N CB 1.459 39.653 38.487 -0.488 0.000 1.066 98 N HN 0.335 nan 8.380 nan 0.000 0.474 99 P HA -0.099 nan 4.420 nan 0.000 0.221 99 P C -0.243 177.142 177.300 0.141 0.000 1.150 99 P CA 0.787 63.862 63.100 -0.041 0.000 0.800 99 P CB -0.013 31.426 31.700 -0.435 0.000 0.787 100 Y N -1.772 118.575 120.300 0.079 0.000 4.079 100 Y HA -0.255 4.487 4.550 0.320 0.000 0.223 100 Y C 0.379 176.411 175.900 0.221 0.000 1.155 100 Y CA 0.157 58.329 58.100 0.120 0.000 1.805 100 Y CB -2.357 36.185 38.460 0.136 0.000 1.571 100 Y HN 0.132 nan 8.280 nan 0.000 0.654 101 F N -2.859 117.151 119.950 0.101 0.000 2.713 101 F HA 0.628 5.349 4.527 0.324 0.000 0.311 101 F C -1.201 174.647 175.800 0.079 0.000 1.141 101 F CA -1.729 56.320 58.000 0.081 0.000 0.939 101 F CB 1.031 40.064 39.000 0.056 0.000 1.325 101 F HN -0.324 nan 8.300 nan 0.000 0.453 102 D N 2.832 123.276 120.400 0.073 0.000 2.316 102 D HA 0.360 5.193 4.640 0.323 0.000 0.245 102 D C -0.135 176.125 176.300 -0.067 0.000 1.171 102 D CA 0.351 54.361 54.000 0.018 0.000 0.856 102 D CB 1.693 42.573 40.800 0.133 0.000 1.090 102 D HN 0.495 nan 8.370 nan 0.000 0.476 103 I N 4.450 124.917 120.570 -0.173 0.000 2.325 103 I HA 0.145 4.509 4.170 0.323 0.000 0.291 103 I C -1.941 174.169 176.117 -0.012 0.000 1.019 103 I CA -1.778 59.407 61.300 -0.192 0.000 1.302 103 I CB 1.014 38.807 38.000 -0.346 0.000 1.401 103 I HN 0.018 nan 8.210 nan 0.000 0.485 104 P HA 0.246 nan 4.420 nan 0.000 0.271 104 P C 0.399 177.704 177.300 0.008 0.000 1.216 104 P CA 0.212 63.349 63.100 0.062 0.000 0.771 104 P CB 0.914 32.665 31.700 0.084 0.000 0.864 105 K N 1.591 122.007 120.400 0.027 0.000 3.159 105 K HA -0.245 4.269 4.320 0.323 0.000 0.417 105 K C 1.319 177.907 176.600 -0.021 0.000 0.448 105 K CA 1.668 57.965 56.287 0.016 0.000 1.840 105 K CB -3.030 29.476 32.500 0.009 0.000 0.822 105 K HN 0.661 nan 8.250 nan 0.000 0.428 106 I N -2.413 118.054 120.570 -0.173 0.000 2.830 106 I HA 0.183 4.547 4.170 0.323 0.000 0.263 106 I C 1.953 177.856 176.117 -0.357 0.000 1.230 106 I CA 1.496 62.614 61.300 -0.303 0.000 1.480 106 I CB -0.031 37.642 38.000 -0.545 0.000 1.095 106 I HN 0.521 nan 8.210 nan 0.000 0.455 107 Y N 1.865 122.206 120.300 0.069 0.000 2.584 107 Y HA 0.302 5.050 4.550 0.329 0.000 0.254 107 Y C 1.614 177.676 175.900 0.270 0.000 1.177 107 Y CA -0.515 57.685 58.100 0.167 0.000 1.216 107 Y CB 0.073 38.557 38.460 0.040 0.000 1.172 107 Y HN 0.180 nan 8.280 nan 0.000 0.529 108 S N -0.957 114.912 115.700 0.283 0.000 2.600 108 S HA 0.041 4.705 4.470 0.323 0.000 0.265 108 S C 1.433 176.136 174.600 0.172 0.000 1.325 108 S CA -0.151 58.168 58.200 0.199 0.000 1.002 108 S CB 1.493 64.769 63.200 0.128 0.000 0.921 108 S HN 0.244 nan 8.310 nan 0.000 0.554 109 S N 0.503 116.261 115.700 0.096 0.000 2.383 109 S HA -0.163 4.501 4.470 0.323 0.000 0.229 109 S C 1.760 176.372 174.600 0.020 0.000 1.030 109 S CA 1.538 59.756 58.200 0.029 0.000 1.002 109 S CB -0.604 62.598 63.200 0.002 0.000 0.829 109 S HN 0.876 nan 8.310 nan 0.000 0.467 110 E N 0.422 120.649 120.200 0.045 0.000 2.072 110 E HA -0.139 4.405 4.350 0.323 0.000 0.191 110 E C 1.817 178.459 176.600 0.070 0.000 0.985 110 E CA 1.473 57.895 56.400 0.038 0.000 0.801 110 E CB -0.083 29.640 29.700 0.038 0.000 0.750 110 E HN 0.452 nan 8.360 nan 0.000 0.452 111 T N 1.379 116.013 114.554 0.134 0.000 2.777 111 T HA -0.106 4.438 4.350 0.323 0.000 0.266 111 T C 1.941 176.834 174.700 0.321 0.000 1.040 111 T CA 1.158 63.399 62.100 0.235 0.000 1.141 111 T CB -0.202 68.829 68.868 0.271 0.000 0.868 111 T HN 0.172 nan 8.240 nan 0.000 0.444 112 I N 1.087 121.774 120.570 0.196 0.000 2.113 112 I HA -0.286 4.078 4.170 0.323 0.000 0.242 112 I C 2.642 178.762 176.117 0.005 0.000 1.064 112 I CA 1.615 62.883 61.300 -0.055 0.000 1.320 112 I CB -0.353 37.476 38.000 -0.285 0.000 1.028 112 I HN 0.216 nan 8.210 nan 0.000 0.406 113 K N 1.043 121.419 120.400 -0.040 0.000 2.103 113 K HA -0.204 4.309 4.320 0.323 0.000 0.207 113 K C 2.216 178.814 176.600 -0.004 0.000 1.048 113 K CA 1.893 58.141 56.287 -0.064 0.000 0.930 113 K CB -0.111 32.350 32.500 -0.066 0.000 0.716 113 K HN 0.401 nan 8.250 nan 0.000 0.444 114 S N -0.841 114.873 115.700 0.024 0.000 2.474 114 S HA -0.143 4.521 4.470 0.323 0.000 0.235 114 S C 1.592 176.113 174.600 -0.131 0.000 0.997 114 S CA 0.665 58.830 58.200 -0.059 0.000 0.949 114 S CB -0.385 62.749 63.200 -0.109 0.000 0.766 114 S HN 0.407 nan 8.310 nan 0.000 0.517 115 Y N 1.630 121.973 120.300 0.072 0.000 2.500 115 Y HA 0.328 5.073 4.550 0.325 0.000 0.270 115 Y C 1.196 177.190 175.900 0.156 0.000 1.134 115 Y CA -0.330 57.829 58.100 0.099 0.000 1.293 115 Y CB -0.069 38.438 38.460 0.079 0.000 1.063 115 Y HN 0.333 nan 8.280 nan 0.000 0.534 116 Q N 0.068 120.014 119.800 0.243 0.000 2.274 116 Q HA 0.226 4.760 4.340 0.323 0.000 0.280 116 Q C 1.262 177.369 176.000 0.179 0.000 1.047 116 Q CA 0.949 56.883 55.803 0.218 0.000 0.907 116 Q CB 0.469 29.218 28.738 0.018 0.000 1.171 116 Q HN 0.590 nan 8.270 nan 0.000 0.381 117 G N 2.385 111.326 108.800 0.236 0.000 2.189 117 G HA2 -0.280 3.874 3.960 0.323 0.000 0.267 117 G HA3 -0.280 3.874 3.960 0.323 0.000 0.267 117 G C -0.107 174.856 174.900 0.104 0.000 0.975 117 G CA -0.012 45.184 45.100 0.160 0.000 0.644 117 G HN 0.450 nan 8.290 nan 0.000 0.537 118 K N 1.377 121.839 120.400 0.104 0.000 2.234 118 K HA 0.479 4.993 4.320 0.323 0.000 0.282 118 K C 0.571 177.212 176.600 0.068 0.000 1.039 118 K CA -0.310 56.011 56.287 0.056 0.000 0.928 118 K CB 1.437 33.941 32.500 0.006 0.000 1.039 118 K HN 0.161 nan 8.250 nan 0.000 0.470 119 S N 2.255 117.976 115.700 0.035 0.000 2.563 119 S HA -0.043 4.621 4.470 0.323 0.000 0.284 119 S C 1.686 176.306 174.600 0.033 0.000 1.331 119 S CA -0.331 57.882 58.200 0.022 0.000 1.047 119 S CB 0.414 63.613 63.200 -0.001 0.000 0.859 119 S HN 0.606 nan 8.310 nan 0.000 0.514 120 L N 3.392 124.616 121.223 0.001 0.000 2.012 120 L HA -0.080 4.454 4.340 0.323 0.000 0.210 120 L C 2.285 179.154 176.870 -0.002 0.000 1.073 120 L CA 2.008 56.833 54.840 -0.024 0.000 0.748 120 L CB -0.972 40.977 42.059 -0.183 0.000 0.891 120 L HN 0.852 nan 8.230 nan 0.000 0.431 121 G N -1.958 106.823 108.800 -0.031 0.000 2.535 121 G HA2 -0.264 3.890 3.960 0.323 0.000 0.218 121 G HA3 -0.264 3.890 3.960 0.323 0.000 0.218 121 G C 1.380 176.313 174.900 0.055 0.000 1.122 121 G CA 1.095 46.204 45.100 0.015 0.000 0.769 121 G HN 0.547 nan 8.290 nan 0.000 0.549 122 T N -3.248 111.333 114.554 0.045 0.000 3.060 122 T HA 0.473 5.016 4.350 0.323 0.000 0.249 122 T C 0.802 175.505 174.700 0.005 0.000 1.079 122 T CA -0.115 61.994 62.100 0.016 0.000 1.013 122 T CB 0.200 69.063 68.868 -0.009 0.000 0.975 122 T HN -0.036 nan 8.240 nan 0.000 0.518 123 M N 1.189 120.819 119.600 0.049 0.000 2.690 123 M HA 0.568 5.242 4.480 0.323 0.000 0.302 123 M C -2.884 173.514 176.300 0.163 0.000 1.234 123 M CA -2.718 52.588 55.300 0.009 0.000 0.853 123 M CB 1.313 33.800 32.600 -0.188 0.000 1.748 123 M HN -0.227 nan 8.290 nan 0.000 0.469 124 P HA 0.199 nan 4.420 nan 0.000 0.268 124 P C -2.501 174.928 177.300 0.215 0.000 1.208 124 P CA -0.619 62.586 63.100 0.175 0.000 0.777 124 P CB -0.643 31.146 31.700 0.148 0.000 0.875 125 P HA 0.009 nan 4.420 nan 0.000 0.264 125 P C -0.501 176.634 177.300 -0.276 0.000 1.183 125 P CA 1.179 63.968 63.100 -0.520 0.000 0.763 125 P CB 0.219 31.415 31.700 -0.840 0.000 0.807 126 H N 1.359 120.104 119.070 -0.543 0.000 3.121 126 H HA 0.041 4.790 4.556 0.322 0.000 0.337 126 H C 0.496 175.249 175.328 -0.958 0.000 1.198 126 H CA -0.508 54.952 56.048 -0.980 0.000 1.274 126 H CB 1.628 30.811 29.762 -0.965 0.000 1.954 126 H HN 0.127 nan 8.280 nan 0.000 0.531 127 V N 4.567 123.815 119.914 -1.109 0.000 2.380 127 V HA -0.255 4.059 4.120 0.323 0.000 0.251 127 V C 1.625 177.620 176.094 -0.166 0.000 1.063 127 V CA 2.216 64.251 62.300 -0.442 0.000 1.055 127 V CB -0.729 30.945 31.823 -0.248 0.000 0.657 127 V HN 0.566 nan 8.190 nan 0.000 0.455 128 F N 1.116 120.857 119.950 -0.350 0.000 2.202 128 F HA -0.059 4.660 4.527 0.320 0.000 0.301 128 F C 2.519 177.872 175.800 -0.745 0.000 1.082 128 F CA 1.021 58.494 58.000 -0.879 0.000 1.313 128 F CB -1.706 36.541 39.000 -1.254 0.000 1.024 128 F HN 0.284 nan 8.300 nan 0.000 0.495 129 A N 0.164 122.816 122.820 -0.281 0.000 1.969 129 A HA -0.102 4.412 4.320 0.323 0.000 0.218 129 A C 2.277 179.865 177.584 0.007 0.000 1.169 129 A CA 1.170 53.217 52.037 0.016 0.000 0.635 129 A CB -0.712 18.430 19.000 0.237 0.000 0.810 129 A HN 0.210 nan 8.150 nan 0.000 0.445 130 I N -0.085 120.478 120.570 -0.011 0.000 2.252 130 I HA -0.198 4.166 4.170 0.323 0.000 0.245 130 I C 2.949 179.065 176.117 -0.002 0.000 1.102 130 I CA 1.374 62.679 61.300 0.008 0.000 1.385 130 I CB -1.583 36.431 38.000 0.024 0.000 1.064 130 I HN 0.359 nan 8.210 nan 0.000 0.414 131 A N 0.549 123.349 122.820 -0.033 0.000 1.908 131 A HA -0.297 4.217 4.320 0.323 0.000 0.218 131 A C 2.136 179.788 177.584 0.113 0.000 1.181 131 A CA 2.386 54.444 52.037 0.036 0.000 0.627 131 A CB -0.935 18.080 19.000 0.025 0.000 0.818 131 A HN 0.425 nan 8.150 nan 0.000 0.445 132 D N -1.213 119.207 120.400 0.034 0.000 2.144 132 D HA -0.118 4.716 4.640 0.323 0.000 0.200 132 D C 2.006 178.405 176.300 0.164 0.000 0.978 132 D CA 1.404 55.545 54.000 0.235 0.000 0.833 132 D CB -0.019 40.928 40.800 0.245 0.000 0.961 132 D HN 0.486 nan 8.370 nan 0.000 0.470 133 K N -0.106 120.338 120.400 0.073 0.000 2.057 133 K HA -0.106 4.407 4.320 0.323 0.000 0.206 133 K C 2.024 178.613 176.600 -0.017 0.000 1.050 133 K CA 1.044 57.343 56.287 0.020 0.000 0.935 133 K CB -0.119 32.375 32.500 -0.010 0.000 0.715 133 K HN 0.109 nan 8.250 nan 0.000 0.439 134 A N 1.021 123.837 122.820 -0.006 0.000 1.873 134 A HA -0.233 4.281 4.320 0.323 0.000 0.218 134 A C 2.039 179.561 177.584 -0.103 0.000 1.193 134 A CA 1.765 53.773 52.037 -0.049 0.000 0.629 134 A CB -1.024 17.973 19.000 -0.004 0.000 0.826 134 A HN 0.529 nan 8.150 nan 0.000 0.447 135 F N 0.564 120.400 119.950 -0.191 0.000 2.095 135 F HA -0.226 4.494 4.527 0.322 0.000 0.298 135 F C 2.537 178.111 175.800 -0.376 0.000 1.104 135 F CA 2.194 59.975 58.000 -0.365 0.000 1.232 135 F CB -0.156 38.596 39.000 -0.414 0.000 0.987 135 F HN 0.126 nan 8.300 nan 0.000 0.475 136 R N 0.082 120.472 120.500 -0.184 0.000 2.096 136 R HA -0.154 4.380 4.340 0.323 0.000 0.235 136 R C 1.781 177.879 176.300 -0.336 0.000 1.127 136 R CA 1.544 57.492 56.100 -0.253 0.000 0.968 136 R CB -0.611 29.651 30.300 -0.063 0.000 0.861 136 R HN 0.337 nan 8.270 nan 0.000 0.440 137 D N 0.545 120.778 120.400 -0.279 0.000 2.178 137 D HA -0.153 4.681 4.640 0.323 0.000 0.202 137 D C 1.792 177.851 176.300 -0.401 0.000 0.974 137 D CA 0.911 54.744 54.000 -0.278 0.000 0.841 137 D CB -0.097 40.581 40.800 -0.204 0.000 0.953 137 D HN 0.177 nan 8.370 nan 0.000 0.478 138 M N 0.590 119.873 119.600 -0.528 0.000 2.067 138 M HA -0.198 4.476 4.480 0.323 0.000 0.260 138 M C 2.110 177.879 176.300 -0.884 0.000 1.069 138 M CA 1.526 56.392 55.300 -0.723 0.000 1.117 138 M CB 0.097 32.220 32.600 -0.794 0.000 1.334 138 M HN -0.190 nan 8.290 nan 0.000 0.407 139 K N -0.445 119.415 120.400 -0.899 0.000 2.026 139 K HA -0.131 4.383 4.320 0.323 0.000 0.208 139 K C 1.596 177.905 176.600 -0.486 0.000 1.048 139 K CA 1.796 57.629 56.287 -0.758 0.000 0.929 139 K CB -0.077 31.919 32.500 -0.841 0.000 0.713 139 K HN 0.293 nan 8.250 nan 0.000 0.439 140 V N 1.266 120.941 119.914 -0.398 0.000 2.488 140 V HA -0.146 4.168 4.120 0.323 0.000 0.246 140 V C 1.985 177.936 176.094 -0.238 0.000 1.046 140 V CA 1.304 63.448 62.300 -0.261 0.000 1.053 140 V CB -0.142 31.561 31.823 -0.201 0.000 0.679 140 V HN 0.310 nan 8.190 nan 0.000 0.458 141 L N -0.895 120.158 121.223 -0.282 0.000 2.585 141 L HA 0.211 4.744 4.340 0.323 0.000 0.226 141 L C 0.698 177.418 176.870 -0.251 0.000 1.113 141 L CA 0.091 54.795 54.840 -0.228 0.000 0.876 141 L CB -0.251 41.685 42.059 -0.205 0.000 1.072 141 L HN 0.270 nan 8.230 nan 0.000 0.468 142 K N 1.006 121.171 120.400 -0.392 0.000 3.244 142 K HA -0.187 4.327 4.320 0.323 0.000 0.270 142 K C -0.665 175.745 176.600 -0.316 0.000 1.016 142 K CA 0.304 56.337 56.287 -0.422 0.000 0.754 142 K CB -1.380 31.073 32.500 -0.079 0.000 1.326 142 K HN 0.077 nan 8.250 nan 0.000 0.465 143 L N 0.157 121.105 121.223 -0.457 0.000 2.439 143 L HA 0.318 4.851 4.340 0.323 0.000 0.270 143 L C -0.096 176.551 176.870 -0.371 0.000 0.972 143 L CA -0.172 54.494 54.840 -0.290 0.000 0.836 143 L CB 2.200 44.124 42.059 -0.226 0.000 1.255 143 L HN 0.134 nan 8.230 nan 0.000 0.404 144 S N 2.985 118.480 115.700 -0.342 0.000 2.566 144 S HA 0.310 4.974 4.470 0.323 0.000 0.280 144 S C -0.420 173.911 174.600 -0.448 0.000 1.343 144 S CA -0.280 57.564 58.200 -0.593 0.000 1.036 144 S CB 0.300 62.784 63.200 -1.194 0.000 0.866 144 S HN 0.542 nan 8.310 nan 0.000 0.526 145 Q N 1.114 120.684 119.800 -0.383 0.000 2.375 145 Q HA 0.491 5.025 4.340 0.323 0.000 0.271 145 Q C -0.858 175.191 176.000 0.081 0.000 1.074 145 Q CA -0.625 55.095 55.803 -0.137 0.000 0.808 145 Q CB 2.129 30.787 28.738 -0.133 0.000 1.327 145 Q HN 0.766 nan 8.270 nan 0.000 0.441 146 S N 1.049 116.819 115.700 0.118 0.000 2.482 146 S HA 0.748 5.412 4.470 0.323 0.000 0.303 146 S C -0.212 174.422 174.600 0.056 0.000 1.091 146 S CA -0.718 57.637 58.200 0.257 0.000 1.057 146 S CB 0.886 64.226 63.200 0.233 0.000 1.031 146 S HN 0.511 nan 8.310 nan 0.000 0.485 147 I N 2.978 123.602 120.570 0.090 0.000 2.354 147 I HA 0.378 4.742 4.170 0.323 0.000 0.286 147 I C -0.984 175.136 176.117 0.005 0.000 1.007 147 I CA -0.672 60.616 61.300 -0.020 0.000 1.167 147 I CB 1.153 39.161 38.000 0.014 0.000 1.320 147 I HN 0.599 nan 8.210 nan 0.000 0.458 148 I N 7.368 127.861 120.570 -0.128 0.000 2.307 148 I HA 0.292 4.655 4.170 0.323 0.000 0.289 148 I C -0.378 175.741 176.117 0.003 0.000 1.021 148 I CA -0.590 60.682 61.300 -0.047 0.000 1.224 148 I CB 1.311 39.256 38.000 -0.091 0.000 1.376 148 I HN 0.176 nan 8.210 nan 0.000 0.470 149 V N 5.494 125.431 119.914 0.039 0.000 2.398 149 V HA 0.445 4.759 4.120 0.323 0.000 0.286 149 V C 0.284 176.405 176.094 0.045 0.000 1.026 149 V CA -0.508 61.818 62.300 0.044 0.000 0.868 149 V CB 1.551 33.403 31.823 0.047 0.000 0.982 149 V HN 0.842 nan 8.190 nan 0.000 0.443 150 S N 3.160 118.887 115.700 0.045 0.000 2.651 150 S HA 1.004 5.667 4.470 0.323 0.000 0.291 150 S C -0.009 174.626 174.600 0.057 0.000 1.141 150 S CA -0.044 58.192 58.200 0.059 0.000 1.027 150 S CB 2.008 65.252 63.200 0.074 0.000 1.043 150 S HN 1.770 nan 8.310 nan 0.000 0.530 151 G N 0.477 109.313 108.800 0.061 0.000 2.350 151 G HA2 0.290 4.444 3.960 0.323 0.000 0.305 151 G HA3 0.290 4.444 3.960 0.323 0.000 0.305 151 G C -1.603 173.322 174.900 0.042 0.000 1.479 151 G CA -1.046 44.081 45.100 0.046 0.000 0.949 151 G HN 0.761 nan 8.290 nan 0.000 0.651 152 E N 0.134 120.351 120.200 0.028 0.000 2.408 152 E HA 0.362 4.906 4.350 0.323 0.000 0.259 152 E C 0.684 177.301 176.600 0.029 0.000 1.110 152 E CA 0.047 56.462 56.400 0.026 0.000 0.929 152 E CB 0.807 30.514 29.700 0.011 0.000 0.971 152 E HN 0.421 nan 8.360 nan 0.000 0.438 153 S N 0.564 116.287 115.700 0.038 0.000 2.575 153 S HA 0.184 4.848 4.470 0.323 0.000 0.295 153 S C 1.014 175.643 174.600 0.049 0.000 1.267 153 S CA 0.977 59.204 58.200 0.044 0.000 1.074 153 S CB -0.362 62.872 63.200 0.057 0.000 0.829 153 S HN 0.777 nan 8.310 nan 0.000 0.497 154 G N 3.189 112.015 108.800 0.044 0.000 2.175 154 G HA2 -0.213 3.941 3.960 0.323 0.000 0.244 154 G HA3 -0.213 3.941 3.960 0.323 0.000 0.244 154 G C 0.651 175.572 174.900 0.036 0.000 0.982 154 G CA 0.088 45.226 45.100 0.063 0.000 0.641 154 G HN 1.420 nan 8.290 nan 0.000 0.527 155 A N 0.257 123.077 122.820 0.001 0.000 2.265 155 A HA 0.564 5.078 4.320 0.323 0.000 0.213 155 A C 2.361 179.892 177.584 -0.088 0.000 1.255 155 A CA 1.773 53.782 52.037 -0.047 0.000 0.862 155 A CB -0.784 18.200 19.000 -0.027 0.000 0.852 155 A HN 2.469 nan 8.150 nan 0.000 0.484 156 G N -0.699 108.049 108.800 -0.086 0.000 2.157 156 G HA2 -0.256 3.898 3.960 0.323 0.000 0.239 156 G HA3 -0.256 3.898 3.960 0.323 0.000 0.239 156 G C 0.968 175.842 174.900 -0.043 0.000 0.982 156 G CA 0.546 45.593 45.100 -0.089 0.000 0.650 156 G HN 0.496 nan 8.290 nan 0.000 0.527 157 K N -0.546 119.838 120.400 -0.026 0.000 2.026 157 K HA -0.062 4.452 4.320 0.323 0.000 0.208 157 K C 2.555 179.133 176.600 -0.037 0.000 1.048 157 K CA 1.698 57.978 56.287 -0.012 0.000 0.929 157 K CB -0.341 32.159 32.500 -0.001 0.000 0.713 157 K HN 0.299 nan 8.250 nan 0.000 0.439 158 T N 1.072 115.596 114.554 -0.051 0.000 2.746 158 T HA -0.136 4.407 4.350 0.323 0.000 0.267 158 T C 1.478 176.080 174.700 -0.163 0.000 1.039 158 T CA 1.581 63.635 62.100 -0.078 0.000 1.142 158 T CB -0.039 68.797 68.868 -0.054 0.000 0.866 158 T HN 0.192 nan 8.240 nan 0.000 0.444 159 E N 1.241 121.315 120.200 -0.211 0.000 2.072 159 E HA -0.065 4.478 4.350 0.323 0.000 0.191 159 E C 2.225 178.496 176.600 -0.548 0.000 0.985 159 E CA 0.884 57.014 56.400 -0.451 0.000 0.801 159 E CB -0.361 29.127 29.700 -0.354 0.000 0.750 159 E HN 0.515 nan 8.360 nan 0.000 0.452 160 N N -0.004 118.618 118.700 -0.131 0.000 2.061 160 N HA -0.185 4.749 4.740 0.323 0.000 0.193 160 N C 1.442 176.976 175.510 0.040 0.000 1.030 160 N CA 1.889 54.994 53.050 0.091 0.000 0.856 160 N CB 0.003 38.554 38.487 0.107 0.000 1.023 160 N HN 0.136 nan 8.380 nan 0.000 0.424 161 T N 1.270 115.802 114.554 -0.037 0.000 2.708 161 T HA -0.074 4.470 4.350 0.323 0.000 0.266 161 T C 1.837 176.504 174.700 -0.055 0.000 1.037 161 T CA 1.087 63.171 62.100 -0.027 0.000 1.146 161 T CB -0.102 68.742 68.868 -0.041 0.000 0.865 161 T HN 0.327 nan 8.240 nan 0.000 0.435 162 K N 0.334 120.628 120.400 -0.176 0.000 2.074 162 K HA -0.085 4.428 4.320 0.323 0.000 0.209 162 K C 1.989 178.520 176.600 -0.115 0.000 1.048 162 K CA 1.537 57.694 56.287 -0.216 0.000 0.926 162 K CB -0.384 31.891 32.500 -0.374 0.000 0.713 162 K HN 0.399 nan 8.250 nan 0.000 0.444 163 F N 0.276 120.245 119.950 0.032 0.000 2.186 163 F HA -0.204 4.523 4.527 0.333 0.000 0.299 163 F C 2.332 178.307 175.800 0.292 0.000 1.090 163 F CA 0.403 58.505 58.000 0.169 0.000 1.307 163 F CB -0.347 38.723 39.000 0.116 0.000 1.019 163 F HN -0.197 nan 8.300 nan 0.000 0.489 164 V N 0.714 120.843 119.914 0.358 0.000 2.295 164 V HA -0.288 4.026 4.120 0.323 0.000 0.246 164 V C 2.264 178.500 176.094 0.237 0.000 1.049 164 V CA 1.682 64.153 62.300 0.285 0.000 1.024 164 V CB -0.633 31.293 31.823 0.170 0.000 0.648 164 V HN 0.317 nan 8.190 nan 0.000 0.447 165 L N -0.430 120.874 121.223 0.134 0.000 2.056 165 L HA -0.150 4.384 4.340 0.323 0.000 0.207 165 L C 2.729 179.640 176.870 0.069 0.000 1.078 165 L CA 1.555 56.437 54.840 0.070 0.000 0.749 165 L CB -0.684 41.365 42.059 -0.016 0.000 0.901 165 L HN 0.259 nan 8.230 nan 0.000 0.433 166 R N 0.096 120.652 120.500 0.094 0.000 2.083 166 R HA -0.259 4.275 4.340 0.323 0.000 0.237 166 R C 2.316 178.634 176.300 0.030 0.000 1.137 166 R CA 1.817 57.961 56.100 0.073 0.000 0.951 166 R CB -1.130 29.255 30.300 0.141 0.000 0.851 166 R HN 0.347 nan 8.270 nan 0.000 0.434 167 Y N 0.204 120.481 120.300 -0.038 0.000 2.165 167 Y HA -0.179 4.564 4.550 0.321 0.000 0.286 167 Y C 1.812 177.617 175.900 -0.157 0.000 1.155 167 Y CA 2.073 60.019 58.100 -0.258 0.000 1.164 167 Y CB -0.116 38.163 38.460 -0.302 0.000 0.978 167 Y HN 0.080 nan 8.280 nan 0.000 0.513 168 L N -0.719 120.565 121.223 0.101 0.000 2.072 168 L HA -0.167 4.367 4.340 0.323 0.000 0.205 168 L C 2.622 179.496 176.870 0.005 0.000 1.079 168 L CA 1.757 56.690 54.840 0.154 0.000 0.752 168 L CB -0.904 41.351 42.059 0.327 0.000 0.906 168 L HN 0.389 nan 8.230 nan 0.000 0.436 169 T N -3.487 111.037 114.554 -0.050 0.000 2.770 169 T HA -0.216 4.328 4.350 0.323 0.000 0.263 169 T C 1.678 176.283 174.700 -0.159 0.000 1.039 169 T CA 1.068 63.112 62.100 -0.093 0.000 1.142 169 T CB -0.265 68.552 68.868 -0.086 0.000 0.868 169 T HN 0.286 nan 8.240 nan 0.000 0.435 170 E N 0.810 120.883 120.200 -0.211 0.000 2.150 170 E HA -0.099 4.445 4.350 0.323 0.000 0.193 170 E C 2.182 178.536 176.600 -0.409 0.000 0.985 170 E CA 1.101 57.344 56.400 -0.261 0.000 0.814 170 E CB -0.067 29.489 29.700 -0.239 0.000 0.752 170 E HN 0.550 nan 8.360 nan 0.000 0.466 171 S N -0.881 114.428 115.700 -0.652 0.000 2.388 171 S HA -0.022 4.642 4.470 0.323 0.000 0.223 171 S C 0.795 174.815 174.600 -0.967 0.000 1.034 171 S CA 0.649 58.217 58.200 -1.054 0.000 0.963 171 S CB 0.047 62.144 63.200 -1.838 0.000 0.827 171 S HN 0.378 nan 8.310 nan 0.000 0.481 172 Y N 0.671 120.791 120.300 -0.300 0.000 2.641 172 Y HA 0.446 5.189 4.550 0.322 0.000 0.248 172 Y C 1.036 176.912 175.900 -0.040 0.000 1.170 172 Y CA -0.719 57.267 58.100 -0.189 0.000 1.201 172 Y CB 0.560 38.801 38.460 -0.364 0.000 1.232 172 Y HN 0.208 nan 8.280 nan 0.000 0.537 173 G N 0.156 108.946 108.800 -0.016 0.000 2.509 173 G HA2 0.442 4.596 3.960 0.323 0.000 0.328 173 G HA3 0.442 4.596 3.960 0.323 0.000 0.328 173 G C -0.189 174.688 174.900 -0.038 0.000 1.194 173 G CA -0.657 44.423 45.100 -0.033 0.000 0.967 173 G HN 0.051 nan 8.290 nan 0.000 0.488 174 T N -2.520 112.017 114.554 -0.028 0.000 3.390 174 T HA 0.478 5.022 4.350 0.323 0.000 0.315 174 T C 1.301 175.985 174.700 -0.025 0.000 1.799 174 T CA 0.486 62.574 62.100 -0.019 0.000 1.553 174 T CB 0.261 69.130 68.868 0.001 0.000 1.002 174 T HN 2.094 nan 8.240 nan 0.000 0.715 175 G N 1.302 110.079 108.800 -0.039 0.000 2.184 175 G HA2 -0.307 3.847 3.960 0.323 0.000 0.264 175 G HA3 -0.307 3.847 3.960 0.323 0.000 0.264 175 G C -0.041 174.842 174.900 -0.029 0.000 0.975 175 G CA 0.415 45.495 45.100 -0.034 0.000 0.642 175 G HN 0.907 nan 8.290 nan 0.000 0.536 176 Q N 1.100 120.882 119.800 -0.030 0.000 2.303 176 Q HA 0.497 5.031 4.340 0.323 0.000 0.257 176 Q C -0.600 175.379 176.000 -0.035 0.000 0.941 176 Q CA -0.264 55.525 55.803 -0.023 0.000 0.931 176 Q CB 0.635 29.365 28.738 -0.013 0.000 1.215 176 Q HN 0.345 nan 8.270 nan 0.000 0.437 177 D N 5.289 125.673 120.400 -0.027 0.000 2.767 177 D HA 0.074 4.908 4.640 0.323 0.000 0.241 177 D C 0.831 177.105 176.300 -0.043 0.000 1.187 177 D CA -0.324 53.654 54.000 -0.037 0.000 0.999 177 D CB 0.253 41.037 40.800 -0.026 0.000 1.042 177 D HN 0.480 nan 8.370 nan 0.000 0.510 178 I N 1.900 122.429 120.570 -0.067 0.000 2.151 178 I HA -0.296 4.068 4.170 0.323 0.000 0.243 178 I C 1.946 177.954 176.117 -0.181 0.000 1.080 178 I CA 1.448 62.675 61.300 -0.121 0.000 1.339 178 I CB -0.777 37.129 38.000 -0.157 0.000 1.039 178 I HN 0.323 nan 8.210 nan 0.000 0.409 179 D N 0.828 121.146 120.400 -0.137 0.000 2.133 179 D HA -0.258 4.575 4.640 0.323 0.000 0.195 179 D C 1.500 177.738 176.300 -0.104 0.000 0.997 179 D CA 1.673 55.598 54.000 -0.125 0.000 0.840 179 D CB -0.837 39.918 40.800 -0.074 0.000 0.947 179 D HN 0.315 nan 8.370 nan 0.000 0.452 180 D N 0.140 120.499 120.400 -0.067 0.000 2.144 180 D HA -0.068 4.766 4.640 0.323 0.000 0.200 180 D C 2.296 178.583 176.300 -0.021 0.000 0.978 180 D CA 0.636 54.612 54.000 -0.039 0.000 0.833 180 D CB -0.093 40.694 40.800 -0.021 0.000 0.961 180 D HN 0.316 nan 8.370 nan 0.000 0.470 181 R N 0.169 120.663 120.500 -0.010 0.000 2.073 181 R HA 0.040 4.574 4.340 0.323 0.000 0.229 181 R C 2.567 178.931 176.300 0.107 0.000 1.120 181 R CA 0.317 56.468 56.100 0.084 0.000 0.967 181 R CB -0.327 30.092 30.300 0.199 0.000 0.862 181 R HN 0.224 nan 8.270 nan 0.000 0.436 182 I N 0.513 120.997 120.570 -0.143 0.000 2.151 182 I HA -0.295 4.069 4.170 0.323 0.000 0.243 182 I C 2.328 178.428 176.117 -0.028 0.000 1.080 182 I CA 1.334 62.517 61.300 -0.194 0.000 1.339 182 I CB -0.234 37.515 38.000 -0.418 0.000 1.039 182 I HN -0.066 nan 8.210 nan 0.000 0.409 183 V N 0.247 120.133 119.914 -0.046 0.000 2.427 183 V HA -0.248 4.066 4.120 0.323 0.000 0.248 183 V C 2.245 178.341 176.094 0.004 0.000 1.051 183 V CA 1.751 64.036 62.300 -0.026 0.000 1.048 183 V CB -0.651 31.144 31.823 -0.046 0.000 0.666 183 V HN 0.426 nan 8.190 nan 0.000 0.456 184 E N 0.427 120.636 120.200 0.015 0.000 2.209 184 E HA -0.192 4.352 4.350 0.323 0.000 0.196 184 E C 2.056 178.672 176.600 0.027 0.000 0.993 184 E CA 1.266 57.677 56.400 0.019 0.000 0.819 184 E CB -0.250 29.463 29.700 0.022 0.000 0.745 184 E HN 0.622 nan 8.360 nan 0.000 0.477 185 A N 0.584 123.433 122.820 0.048 0.000 2.218 185 A HA -0.020 4.494 4.320 0.323 0.000 0.209 185 A C 1.673 179.288 177.584 0.052 0.000 1.168 185 A CA 0.370 52.433 52.037 0.043 0.000 0.804 185 A CB -0.195 18.845 19.000 0.067 0.000 0.834 185 A HN 0.103 nan 8.150 nan 0.000 0.482 186 N N 0.866 119.600 118.700 0.056 0.000 2.149 186 N HA -0.093 4.841 4.740 0.323 0.000 0.188 186 N C -1.191 174.380 175.510 0.101 0.000 1.019 186 N CA 1.676 54.774 53.050 0.080 0.000 0.857 186 N CB -0.634 37.888 38.487 0.059 0.000 0.997 186 N HN 0.248 nan 8.380 nan 0.000 0.426 187 P HA -0.122 nan 4.420 nan 0.000 0.218 187 P C 1.220 178.597 177.300 0.128 0.000 1.146 187 P CA 0.719 63.869 63.100 0.083 0.000 0.813 187 P CB 0.100 31.824 31.700 0.040 0.000 0.778 188 L N -1.495 119.804 121.223 0.126 0.000 2.102 188 L HA 0.005 4.539 4.340 0.323 0.000 0.202 188 L C 2.113 179.146 176.870 0.271 0.000 1.076 188 L CA 1.514 56.466 54.840 0.185 0.000 0.761 188 L CB -1.232 40.868 42.059 0.069 0.000 0.921 188 L HN -0.139 nan 8.230 nan 0.000 0.444 189 L N -0.632 120.706 121.223 0.192 0.000 2.017 189 L HA -0.203 4.331 4.340 0.323 0.000 0.208 189 L C 2.478 179.593 176.870 0.409 0.000 1.073 189 L CA 1.473 56.469 54.840 0.259 0.000 0.745 189 L CB -0.678 41.531 42.059 0.251 0.000 0.894 189 L HN 0.318 nan 8.230 nan 0.000 0.432 190 E N 0.237 120.647 120.200 0.349 0.000 2.110 190 E HA -0.218 4.326 4.350 0.323 0.000 0.193 190 E C 2.328 179.160 176.600 0.386 0.000 0.988 190 E CA 1.105 57.729 56.400 0.373 0.000 0.804 190 E CB -0.182 29.692 29.700 0.290 0.000 0.745 190 E HN 0.512 nan 8.360 nan 0.000 0.458 191 A N 0.741 123.746 122.820 0.307 0.000 1.908 191 A HA -0.171 4.342 4.320 0.323 0.000 0.218 191 A C 1.780 179.383 177.584 0.032 0.000 1.181 191 A CA 1.367 53.507 52.037 0.171 0.000 0.627 191 A CB -0.567 18.461 19.000 0.045 0.000 0.818 191 A HN 0.185 nan 8.150 nan 0.000 0.445 192 F N -1.269 118.817 119.950 0.226 0.000 2.619 192 F HA 0.253 4.919 4.527 0.231 0.000 0.293 192 F C 2.258 178.020 175.800 -0.065 0.000 1.119 192 F CA 0.753 58.850 58.000 0.163 0.000 1.445 192 F CB 0.175 39.257 39.000 0.138 0.000 1.119 192 F HN 0.287 nan 8.300 nan 0.000 0.573 193 G N -1.157 107.778 108.800 0.224 0.000 3.228 193 G HA2 0.130 4.284 3.960 0.323 0.000 0.245 193 G HA3 0.130 4.284 3.960 0.323 0.000 0.245 193 G C 0.174 175.401 174.900 0.545 0.000 1.051 193 G CA -0.224 44.921 45.100 0.074 0.000 0.809 193 G HN 0.132 nan 8.290 nan 0.000 0.531 194 N N 0.147 119.117 118.700 0.451 0.000 2.384 194 N HA 0.683 5.617 4.740 0.323 0.000 0.301 194 N C -0.947 174.412 175.510 -0.251 0.000 1.133 194 N CA -0.273 52.901 53.050 0.206 0.000 0.853 194 N CB 2.199 40.834 38.487 0.246 0.000 1.241 194 N HN 0.169 nan 8.380 nan 0.000 0.502 195 A N 0.842 123.441 122.820 -0.368 0.000 2.612 195 A HA 0.298 4.812 4.320 0.323 0.000 0.293 195 A C -1.151 176.365 177.584 -0.114 0.000 1.075 195 A CA -0.733 51.029 52.037 -0.458 0.000 0.680 195 A CB 1.447 20.199 19.000 -0.414 0.000 1.279 195 A HN 0.586 nan 8.150 nan 0.000 0.411 196 K N 1.234 121.666 120.400 0.055 0.000 2.379 196 K HA 0.435 4.949 4.320 0.323 0.000 0.284 196 K C 0.116 176.736 176.600 0.034 0.000 1.044 196 K CA 0.647 57.026 56.287 0.154 0.000 0.974 196 K CB 0.335 32.981 32.500 0.244 0.000 0.962 196 K HN 0.907 nan 8.250 nan 0.000 0.474 197 T N -0.790 113.794 114.554 0.050 0.000 2.905 197 T HA 0.183 4.727 4.350 0.323 0.000 0.283 197 T C 1.399 176.116 174.700 0.029 0.000 1.031 197 T CA -0.964 61.144 62.100 0.013 0.000 1.002 197 T CB 1.237 70.124 68.868 0.031 0.000 1.200 197 T HN 0.220 nan 8.240 nan 0.000 0.560 198 V N 1.023 120.934 119.914 -0.005 0.000 2.282 198 V HA -0.171 4.143 4.120 0.323 0.000 0.249 198 V C 2.799 178.938 176.094 0.075 0.000 1.057 198 V CA 2.004 64.310 62.300 0.011 0.000 1.032 198 V CB -0.868 30.934 31.823 -0.035 0.000 0.645 198 V HN 0.801 nan 8.190 nan 0.000 0.447 199 R N -0.568 120.005 120.500 0.121 0.000 2.254 199 R HA 0.178 4.712 4.340 0.323 0.000 0.195 199 R C 0.081 176.437 176.300 0.094 0.000 0.957 199 R CA 0.241 56.409 56.100 0.113 0.000 1.024 199 R CB 0.152 30.528 30.300 0.128 0.000 0.952 199 R HN 0.575 nan 8.270 nan 0.000 0.484 200 N N 0.109 118.870 118.700 0.101 0.000 2.430 200 N HA 0.162 5.096 4.740 0.323 0.000 0.290 200 N C -0.611 174.974 175.510 0.126 0.000 1.063 200 N CA -0.513 52.596 53.050 0.099 0.000 0.883 200 N CB 1.558 40.098 38.487 0.088 0.000 1.465 200 N HN -0.152 nan 8.380 nan 0.000 0.493 201 N N 0.838 119.619 118.700 0.134 0.000 2.309 201 N HA -0.121 4.812 4.740 0.323 0.000 0.182 201 N C -0.296 175.303 175.510 0.147 0.000 1.018 201 N CA 1.081 54.239 53.050 0.181 0.000 0.876 201 N CB 0.012 38.544 38.487 0.076 0.000 0.972 201 N HN 0.596 nan 8.380 nan 0.000 0.434 202 N N 0.268 119.036 118.700 0.113 0.000 2.765 202 N HA 0.066 5.000 4.740 0.323 0.000 0.277 202 N C -1.374 174.228 175.510 0.153 0.000 1.750 202 N CA 0.006 53.167 53.050 0.184 0.000 0.827 202 N CB 0.367 38.902 38.487 0.081 0.000 1.200 202 N HN -0.147 nan 8.380 nan 0.000 0.494 203 S N 0.685 116.460 115.700 0.126 0.000 2.475 203 S HA 0.173 4.837 4.470 0.323 0.000 0.281 203 S C 0.015 174.673 174.600 0.098 0.000 1.198 203 S CA -0.341 57.913 58.200 0.090 0.000 1.063 203 S CB 1.160 64.403 63.200 0.072 0.000 0.972 203 S HN 0.393 nan 8.310 nan 0.000 0.486 204 S N 4.013 119.761 115.700 0.081 0.000 2.510 204 S HA 0.270 4.933 4.470 0.323 0.000 0.279 204 S C 0.588 175.247 174.600 0.097 0.000 1.284 204 S CA -0.578 57.664 58.200 0.070 0.000 1.059 204 S CB 0.062 63.188 63.200 -0.122 0.000 0.901 204 S HN 0.702 nan 8.310 nan 0.000 0.491 205 R N 4.103 124.768 120.500 0.276 0.000 2.586 205 R HA 0.264 4.798 4.340 0.323 0.000 0.306 205 R C -0.569 175.964 176.300 0.388 0.000 1.079 205 R CA -0.045 56.237 56.100 0.305 0.000 1.083 205 R CB -1.233 29.296 30.300 0.381 0.000 1.306 205 R HN 0.686 nan 8.270 nan 0.000 0.567 206 F N -3.736 116.305 119.950 0.151 0.000 2.662 206 F HA 0.764 5.429 4.527 0.229 0.000 0.312 206 F C 0.112 176.036 175.800 0.208 0.000 1.113 206 F CA -1.832 56.270 58.000 0.170 0.000 0.951 206 F CB 0.837 39.937 39.000 0.166 0.000 1.344 206 F HN -0.112 nan 8.300 nan 0.000 0.462 207 G N 1.613 110.595 108.800 0.303 0.000 2.339 207 G HA2 0.475 4.629 3.960 0.323 0.000 0.287 207 G HA3 0.475 4.629 3.960 0.323 0.000 0.287 207 G C -1.565 173.571 174.900 0.393 0.000 1.163 207 G CA -0.729 44.502 45.100 0.218 0.000 0.872 207 G HN 0.867 nan 8.290 nan 0.000 0.464 208 K N 2.075 122.603 120.400 0.212 0.000 2.463 208 K HA 0.506 5.020 4.320 0.323 0.000 0.255 208 K C -1.850 174.967 176.600 0.362 0.000 0.942 208 K CA -0.848 55.627 56.287 0.314 0.000 0.814 208 K CB 1.238 33.778 32.500 0.068 0.000 1.122 208 K HN 0.271 nan 8.250 nan 0.000 0.425 209 F N 5.491 125.586 119.950 0.241 0.000 2.434 209 F HA 0.335 5.053 4.527 0.320 0.000 0.355 209 F C -1.165 174.728 175.800 0.156 0.000 1.115 209 F CA -0.820 57.291 58.000 0.185 0.000 1.010 209 F CB 1.158 40.305 39.000 0.244 0.000 1.234 209 F HN 0.148 nan 8.300 nan 0.000 0.439 210 V N 6.032 125.800 119.914 -0.244 0.000 2.348 210 V HA 0.269 4.583 4.120 0.323 0.000 0.270 210 V C -0.297 175.600 176.094 -0.329 0.000 1.037 210 V CA -0.566 61.625 62.300 -0.180 0.000 0.872 210 V CB 0.799 32.556 31.823 -0.110 0.000 1.002 210 V HN 0.607 nan 8.190 nan 0.000 0.464 211 E N 5.172 125.256 120.200 -0.193 0.000 2.175 211 E HA 0.478 5.022 4.350 0.323 0.000 0.278 211 E C -0.892 175.700 176.600 -0.014 0.000 0.969 211 E CA -0.763 55.534 56.400 -0.173 0.000 0.796 211 E CB 1.944 31.534 29.700 -0.183 0.000 1.104 211 E HN 0.394 nan 8.360 nan 0.000 0.395 212 I N 3.576 124.141 120.570 -0.007 0.000 2.315 212 I HA 0.151 4.515 4.170 0.323 0.000 0.291 212 I C 0.296 176.374 176.117 -0.066 0.000 1.006 212 I CA -0.328 60.948 61.300 -0.040 0.000 1.265 212 I CB 0.294 38.290 38.000 -0.006 0.000 1.387 212 I HN 0.466 nan 8.210 nan 0.000 0.475 213 H N 6.255 125.167 119.070 -0.264 0.000 2.467 213 H HA 0.459 5.207 4.556 0.320 0.000 0.331 213 H C -1.050 174.032 175.328 -0.409 0.000 1.120 213 H CA -0.098 55.781 56.048 -0.282 0.000 1.270 213 H CB 1.727 30.990 29.762 -0.832 0.000 1.466 213 H HN 0.291 nan 8.280 nan 0.000 0.504 214 F N 1.597 121.559 119.950 0.019 0.000 2.563 214 F HA 0.113 4.834 4.527 0.323 0.000 0.316 214 F C 0.684 176.474 175.800 -0.017 0.000 1.076 214 F CA -1.004 57.031 58.000 0.057 0.000 0.921 214 F CB 1.325 40.429 39.000 0.172 0.000 1.209 214 F HN 0.592 nan 8.300 nan 0.000 0.462 215 N N 0.443 119.254 118.700 0.186 0.000 2.418 215 N HA 0.106 5.040 4.740 0.323 0.000 0.283 215 N C 0.661 176.208 175.510 0.062 0.000 1.267 215 N CA -0.409 52.678 53.050 0.061 0.000 0.975 215 N CB 0.149 38.673 38.487 0.062 0.000 1.167 215 N HN 0.634 nan 8.380 nan 0.000 0.581 216 E N -0.328 119.872 120.200 0.000 0.000 2.418 216 E HA -0.141 4.402 4.350 0.323 0.000 0.197 216 E C 0.072 176.741 176.600 0.115 0.000 1.026 216 E CA 1.053 57.472 56.400 0.031 0.000 0.862 216 E CB -0.323 29.374 29.700 -0.006 0.000 0.799 216 E HN 0.692 nan 8.360 nan 0.000 0.518 217 K N 0.822 121.292 120.400 0.117 0.000 2.437 217 K HA 0.165 4.679 4.320 0.323 0.000 0.198 217 K C -0.159 176.545 176.600 0.174 0.000 1.024 217 K CA 0.200 56.560 56.287 0.121 0.000 1.148 217 K CB 0.281 32.844 32.500 0.104 0.000 0.860 217 K HN -0.082 nan 8.250 nan 0.000 0.515 218 S N 0.820 116.658 115.700 0.230 0.000 3.628 218 S HA -0.163 4.501 4.470 0.323 0.000 0.373 218 S C -0.300 174.647 174.600 0.578 0.000 0.968 218 S CA 0.652 59.029 58.200 0.295 0.000 1.215 218 S CB -1.213 61.936 63.200 -0.085 0.000 0.912 218 S HN 0.437 nan 8.310 nan 0.000 0.495 219 S N 0.106 116.121 115.700 0.526 0.000 2.526 219 S HA 0.632 5.296 4.470 0.323 0.000 0.293 219 S C 0.211 174.919 174.600 0.180 0.000 1.092 219 S CA -0.657 57.785 58.200 0.403 0.000 0.980 219 S CB 1.388 64.715 63.200 0.212 0.000 1.048 219 S HN 0.325 nan 8.310 nan 0.000 0.483 220 V N 5.156 125.018 119.914 -0.087 0.000 2.540 220 V HA 0.068 4.382 4.120 0.323 0.000 0.297 220 V C 1.337 177.301 176.094 -0.217 0.000 1.024 220 V CA 0.629 62.654 62.300 -0.458 0.000 1.105 220 V CB 0.831 32.428 31.823 -0.377 0.000 0.938 220 V HN 0.846 nan 8.190 nan 0.000 0.482 221 V N 1.731 121.501 119.914 -0.240 0.000 3.570 221 V HA 0.790 5.104 4.120 0.323 0.000 0.257 221 V C 0.724 176.778 176.094 -0.066 0.000 1.272 221 V CA 0.958 63.194 62.300 -0.106 0.000 1.079 221 V CB 0.106 31.892 31.823 -0.062 0.000 0.829 221 V HN 1.081 nan 8.190 nan 0.000 0.454 222 G N -1.097 107.596 108.800 -0.177 0.000 2.348 222 G HA2 0.578 4.732 3.960 0.323 0.000 0.296 222 G HA3 0.578 4.732 3.960 0.323 0.000 0.296 222 G C -0.800 174.087 174.900 -0.021 0.000 1.258 222 G CA -0.044 45.066 45.100 0.016 0.000 0.868 222 G HN 0.989 nan 8.290 nan 0.000 0.488 223 G N -1.513 107.460 108.800 0.288 0.000 2.660 223 G HA2 0.751 4.905 3.960 0.323 0.000 0.294 223 G HA3 0.751 4.905 3.960 0.323 0.000 0.294 223 G C -2.174 173.158 174.900 0.720 0.000 1.369 223 G CA -0.655 44.588 45.100 0.239 0.000 0.912 223 G HN 1.129 nan 8.290 nan 0.000 0.479 224 F N 1.277 121.461 119.950 0.390 0.000 2.574 224 F HA 0.530 5.263 4.527 0.342 0.000 0.313 224 F C -0.748 175.183 175.800 0.218 0.000 1.130 224 F CA -0.783 57.444 58.000 0.378 0.000 0.936 224 F CB 2.325 41.533 39.000 0.347 0.000 1.219 224 F HN 0.377 nan 8.300 nan 0.000 0.445 225 V N 4.955 124.722 119.914 -0.246 0.000 2.353 225 V HA 0.312 4.626 4.120 0.323 0.000 0.264 225 V C -0.052 175.901 176.094 -0.235 0.000 1.049 225 V CA -0.339 61.872 62.300 -0.149 0.000 0.896 225 V CB 0.620 32.392 31.823 -0.085 0.000 1.025 225 V HN 0.782 nan 8.190 nan 0.000 0.475 226 S N 5.093 120.932 115.700 0.231 0.000 2.537 226 S HA 0.494 5.158 4.470 0.323 0.000 0.275 226 S C -0.210 174.518 174.600 0.214 0.000 1.272 226 S CA -0.526 57.851 58.200 0.295 0.000 1.050 226 S CB 0.367 63.848 63.200 0.468 0.000 0.961 226 S HN 0.942 nan 8.310 nan 0.000 0.496 227 H N 0.729 119.683 119.070 -0.193 0.000 2.768 227 H HA 0.628 5.387 4.556 0.339 0.000 0.371 227 H C -1.994 173.129 175.328 -0.342 0.000 1.151 227 H CA -0.808 55.239 56.048 -0.003 0.000 1.165 227 H CB 0.663 30.470 29.762 0.074 0.000 1.722 227 H HN 0.578 nan 8.280 nan 0.000 0.543 228 Y N 0.773 121.197 120.300 0.207 0.000 2.562 228 Y HA 0.276 5.020 4.550 0.322 0.000 0.345 228 Y C 0.404 176.385 175.900 0.135 0.000 1.045 228 Y CA -1.386 56.735 58.100 0.036 0.000 1.028 228 Y CB 1.825 40.267 38.460 -0.031 0.000 1.297 228 Y HN 0.670 nan 8.280 nan 0.000 0.463 229 L N 1.222 122.559 121.223 0.190 0.000 3.634 229 L HA -0.245 4.289 4.340 0.323 0.000 0.423 229 L C -0.362 176.657 176.870 0.247 0.000 1.253 229 L CA 0.003 54.923 54.840 0.134 0.000 0.885 229 L CB -1.195 40.853 42.059 -0.018 0.000 1.789 229 L HN 0.496 nan 8.230 nan 0.000 0.904 230 L N 1.510 122.876 121.223 0.238 0.000 2.601 230 L HA 0.003 4.537 4.340 0.323 0.000 0.277 230 L C 1.217 178.212 176.870 0.208 0.000 1.219 230 L CA 0.815 55.749 54.840 0.157 0.000 0.915 230 L CB 0.484 42.499 42.059 -0.072 0.000 1.160 230 L HN 0.229 nan 8.230 nan 0.000 0.494 231 E N 4.104 124.467 120.200 0.271 0.000 2.238 231 E HA -0.019 4.525 4.350 0.323 0.000 0.264 231 E C 0.186 176.938 176.600 0.253 0.000 1.136 231 E CA -0.374 56.185 56.400 0.265 0.000 0.929 231 E CB 0.524 30.367 29.700 0.238 0.000 1.010 231 E HN 0.513 nan 8.360 nan 0.000 0.440 232 K N 1.863 122.380 120.400 0.196 0.000 2.243 232 K HA -0.056 4.458 4.320 0.323 0.000 0.201 232 K C 1.943 178.602 176.600 0.097 0.000 1.051 232 K CA 1.039 57.421 56.287 0.158 0.000 0.970 232 K CB -0.138 32.451 32.500 0.148 0.000 0.755 232 K HN 0.518 nan 8.250 nan 0.000 0.465 233 S N 0.946 116.695 115.700 0.082 0.000 2.402 233 S HA -0.115 4.548 4.470 0.323 0.000 0.229 233 S C 2.101 176.679 174.600 -0.036 0.000 1.021 233 S CA 0.699 58.914 58.200 0.026 0.000 0.974 233 S CB -0.194 63.032 63.200 0.044 0.000 0.800 233 S HN 0.251 nan 8.310 nan 0.000 0.484 234 R N 1.089 121.565 120.500 -0.040 0.000 2.193 234 R HA 0.066 4.600 4.340 0.323 0.000 0.229 234 R C 1.938 178.130 176.300 -0.181 0.000 1.110 234 R CA 1.195 57.211 56.100 -0.140 0.000 0.988 234 R CB -0.544 29.597 30.300 -0.265 0.000 0.871 234 R HN 0.507 nan 8.270 nan 0.000 0.458 235 I N -0.306 120.192 120.570 -0.119 0.000 2.335 235 I HA -0.356 4.007 4.170 0.323 0.000 0.251 235 I C 1.760 177.581 176.117 -0.493 0.000 1.129 235 I CA 1.095 62.245 61.300 -0.250 0.000 1.402 235 I CB -0.018 37.872 38.000 -0.182 0.000 1.069 235 I HN 0.314 nan 8.210 nan 0.000 0.424 236 C N -1.405 117.631 119.300 -0.441 0.000 3.097 236 C HA 0.464 5.118 4.460 0.323 0.000 0.335 236 C C 0.673 175.554 174.990 -0.181 0.000 1.283 236 C CA -0.340 58.316 59.018 -0.605 0.000 1.778 236 C CB 0.516 27.957 27.740 -0.498 0.000 2.365 236 C HN 0.262 nan 8.230 nan 0.000 0.627 237 V N 0.736 120.572 119.914 -0.130 0.000 3.147 237 V HA 0.570 4.884 4.120 0.323 0.000 0.299 237 V C -2.253 173.798 176.094 -0.071 0.000 1.302 237 V CA -0.117 62.151 62.300 -0.054 0.000 1.015 237 V CB 2.433 34.247 31.823 -0.015 0.000 1.086 237 V HN 0.422 nan 8.190 nan 0.000 0.437 238 Q N 2.094 121.862 119.800 -0.053 0.000 2.456 238 Q HA 0.738 5.272 4.340 0.323 0.000 0.284 238 Q C -0.054 175.914 176.000 -0.054 0.000 1.061 238 Q CA 0.118 55.882 55.803 -0.065 0.000 0.799 238 Q CB 1.932 30.628 28.738 -0.069 0.000 1.445 238 Q HN 1.072 nan 8.270 nan 0.000 0.411 239 G N 0.208 108.967 108.800 -0.069 0.000 2.616 239 G HA2 0.242 4.396 3.960 0.323 0.000 0.268 239 G HA3 0.242 4.396 3.960 0.323 0.000 0.268 239 G C 0.250 175.113 174.900 -0.062 0.000 1.213 239 G CA -0.361 44.698 45.100 -0.068 0.000 0.926 239 G HN 0.731 nan 8.290 nan 0.000 0.523 240 K N -0.997 119.369 120.400 -0.057 0.000 2.362 240 K HA 0.027 4.541 4.320 0.323 0.000 0.200 240 K C 0.831 177.397 176.600 -0.056 0.000 1.046 240 K CA 1.287 57.544 56.287 -0.050 0.000 0.952 240 K CB 0.275 32.750 32.500 -0.043 0.000 0.753 240 K HN 0.370 nan 8.250 nan 0.000 0.466 241 E N 1.247 121.410 120.200 -0.062 0.000 2.465 241 E HA 0.138 4.682 4.350 0.323 0.000 0.195 241 E C -0.459 176.103 176.600 -0.063 0.000 1.028 241 E CA 0.167 56.532 56.400 -0.060 0.000 0.899 241 E CB 0.411 30.082 29.700 -0.048 0.000 1.032 241 E HN 0.440 nan 8.360 nan 0.000 0.468 242 E N 0.745 120.902 120.200 -0.072 0.000 2.359 242 E HA 0.507 5.051 4.350 0.323 0.000 0.266 242 E C -0.098 176.452 176.600 -0.082 0.000 0.920 242 E CA -0.730 55.625 56.400 -0.074 0.000 0.788 242 E CB 2.385 32.033 29.700 -0.087 0.000 1.279 242 E HN -0.101 nan 8.360 nan 0.000 0.438 243 R N 0.690 121.136 120.500 -0.090 0.000 2.919 243 R HA 0.368 4.902 4.340 0.323 0.000 0.260 243 R C 0.099 176.374 176.300 -0.041 0.000 1.067 243 R CA -0.983 55.070 56.100 -0.078 0.000 1.003 243 R CB 1.115 31.239 30.300 -0.293 0.000 1.192 243 R HN 0.407 nan 8.270 nan 0.000 0.488 244 N N 0.288 119.071 118.700 0.138 0.000 2.285 244 N HA 0.024 4.958 4.740 0.323 0.000 0.262 244 N C -0.646 174.939 175.510 0.125 0.000 1.299 244 N CA 0.138 53.196 53.050 0.013 0.000 0.930 244 N CB 0.204 38.652 38.487 -0.066 0.000 1.157 244 N HN 0.233 nan 8.380 nan 0.000 0.532 245 Y N 0.894 121.367 120.300 0.288 0.000 2.805 245 Y HA -0.089 4.649 4.550 0.314 0.000 0.337 245 Y C 1.944 178.075 175.900 0.386 0.000 1.252 245 Y CA 0.715 58.951 58.100 0.227 0.000 1.515 245 Y CB 0.010 38.579 38.460 0.182 0.000 1.305 245 Y HN 0.626 nan 8.280 nan 0.000 0.600 246 H N 1.453 120.783 119.070 0.433 0.000 2.390 246 H HA -0.224 4.502 4.556 0.285 0.000 0.298 246 H C 2.078 177.578 175.328 0.288 0.000 1.106 246 H CA 1.386 57.664 56.048 0.384 0.000 1.297 246 H CB 0.023 29.927 29.762 0.236 0.000 1.375 246 H HN 0.715 nan 8.280 nan 0.000 0.509 247 I N 0.731 121.372 120.570 0.119 0.000 2.185 247 I HA -0.321 4.043 4.170 0.323 0.000 0.246 247 I C 1.491 177.515 176.117 -0.156 0.000 1.088 247 I CA 1.462 62.643 61.300 -0.199 0.000 1.347 247 I CB -0.445 37.078 38.000 -0.795 0.000 1.041 247 I HN 0.128 nan 8.210 nan 0.000 0.415 248 F N -0.712 119.218 119.950 -0.033 0.000 2.134 248 F HA -0.257 4.471 4.527 0.335 0.000 0.299 248 F C 2.072 177.667 175.800 -0.341 0.000 1.097 248 F CA 1.798 59.633 58.000 -0.276 0.000 1.264 248 F CB -0.810 37.900 39.000 -0.485 0.000 1.001 248 F HN 0.113 nan 8.300 nan 0.000 0.479 249 Y N -0.695 119.768 120.300 0.272 0.000 2.365 249 Y HA 0.015 4.752 4.550 0.312 0.000 0.293 249 Y C 2.314 178.286 175.900 0.121 0.000 1.119 249 Y CA 0.394 58.667 58.100 0.290 0.000 1.203 249 Y CB -0.673 38.022 38.460 0.393 0.000 1.026 249 Y HN -0.158 nan 8.280 nan 0.000 0.549 250 R N -0.254 120.377 120.500 0.217 0.000 2.081 250 R HA -0.153 4.381 4.340 0.323 0.000 0.235 250 R C 2.067 178.241 176.300 -0.209 0.000 1.131 250 R CA 1.447 57.599 56.100 0.088 0.000 0.960 250 R CB -0.651 29.787 30.300 0.230 0.000 0.856 250 R HN 0.261 nan 8.270 nan 0.000 0.436 251 L N 0.588 121.670 121.223 -0.234 0.000 2.005 251 L HA -0.171 4.363 4.340 0.323 0.000 0.207 251 L C 2.116 178.689 176.870 -0.496 0.000 1.072 251 L CA 1.705 56.230 54.840 -0.526 0.000 0.744 251 L CB -0.550 41.266 42.059 -0.404 0.000 0.895 251 L HN 0.193 nan 8.230 nan 0.000 0.433 252 C N -0.496 118.652 119.300 -0.252 0.000 2.425 252 C HA -0.065 4.589 4.460 0.323 0.000 0.277 252 C C 2.966 177.827 174.990 -0.216 0.000 1.280 252 C CA 0.623 59.556 59.018 -0.142 0.000 1.744 252 C CB -1.658 26.119 27.740 0.061 0.000 1.989 252 C HN 0.704 nan 8.230 nan 0.000 0.491 253 A N 0.165 122.757 122.820 -0.379 0.000 1.929 253 A HA 0.213 4.727 4.320 0.323 0.000 0.216 253 A C 2.283 179.607 177.584 -0.432 0.000 1.176 253 A CA 1.959 53.620 52.037 -0.627 0.000 0.628 253 A CB -0.782 17.650 19.000 -0.946 0.000 0.816 253 A HN 0.562 nan 8.150 nan 0.000 0.444 254 G N -1.428 106.988 108.800 -0.640 0.000 2.781 254 G HA2 0.432 4.585 3.960 0.323 0.000 0.208 254 G HA3 0.432 4.585 3.960 0.323 0.000 0.208 254 G C 0.675 174.984 174.900 -0.984 0.000 1.099 254 G CA 0.628 45.217 45.100 -0.852 0.000 0.776 254 G HN 0.737 nan 8.290 nan 0.000 0.532 255 A N 1.356 123.519 122.820 -1.095 0.000 2.511 255 A HA 0.497 5.011 4.320 0.323 0.000 0.242 255 A C 1.165 178.557 177.584 -0.319 0.000 1.069 255 A CA 0.394 51.994 52.037 -0.728 0.000 0.763 255 A CB 0.018 18.661 19.000 -0.595 0.000 1.001 255 A HN 1.008 nan 8.150 nan 0.000 0.498 256 S N 1.881 117.488 115.700 -0.155 0.000 2.566 256 S HA 0.037 4.701 4.470 0.323 0.000 0.280 256 S C 0.826 175.377 174.600 -0.081 0.000 1.343 256 S CA 0.167 58.324 58.200 -0.072 0.000 1.036 256 S CB 0.553 63.745 63.200 -0.013 0.000 0.866 256 S HN 0.692 nan 8.310 nan 0.000 0.526 257 E N 0.943 121.110 120.200 -0.055 0.000 2.171 257 E HA -0.205 4.339 4.350 0.323 0.000 0.197 257 E C 1.486 178.054 176.600 -0.053 0.000 0.997 257 E CA 1.539 57.908 56.400 -0.052 0.000 0.810 257 E CB -0.417 29.264 29.700 -0.033 0.000 0.738 257 E HN 0.898 nan 8.360 nan 0.000 0.467 258 D N 0.739 121.115 120.400 -0.040 0.000 2.087 258 D HA -0.140 4.694 4.640 0.323 0.000 0.192 258 D C 2.041 178.310 176.300 -0.052 0.000 0.993 258 D CA 1.068 55.046 54.000 -0.037 0.000 0.828 258 D CB -0.287 40.504 40.800 -0.015 0.000 0.968 258 D HN 0.144 nan 8.370 nan 0.000 0.448 259 I N 0.014 120.558 120.570 -0.043 0.000 2.226 259 I HA -0.215 4.149 4.170 0.323 0.000 0.245 259 I C 2.750 178.813 176.117 -0.090 0.000 1.100 259 I CA 0.620 61.895 61.300 -0.042 0.000 1.374 259 I CB -0.369 37.625 38.000 -0.010 0.000 1.057 259 I HN 0.064 nan 8.210 nan 0.000 0.413 260 R N 1.463 121.897 120.500 -0.110 0.000 2.094 260 R HA -0.235 4.298 4.340 0.323 0.000 0.239 260 R C 1.992 178.209 176.300 -0.139 0.000 1.137 260 R CA 2.095 58.129 56.100 -0.111 0.000 0.943 260 R CB -0.408 29.836 30.300 -0.093 0.000 0.850 260 R HN 0.463 nan 8.270 nan 0.000 0.433 261 E N -0.399 119.710 120.200 -0.152 0.000 2.077 261 E HA -0.191 4.353 4.350 0.323 0.000 0.193 261 E C 2.248 178.584 176.600 -0.440 0.000 0.989 261 E CA 0.936 57.198 56.400 -0.229 0.000 0.800 261 E CB -0.162 29.454 29.700 -0.138 0.000 0.746 261 E HN 0.288 nan 8.360 nan 0.000 0.452 262 R N 0.584 120.906 120.500 -0.297 0.000 2.096 262 R HA -0.071 4.462 4.340 0.323 0.000 0.235 262 R C 1.889 177.982 176.300 -0.346 0.000 1.127 262 R CA 0.938 56.864 56.100 -0.289 0.000 0.968 262 R CB 0.080 30.315 30.300 -0.110 0.000 0.861 262 R HN 0.160 nan 8.270 nan 0.000 0.440 263 L N -0.625 120.460 121.223 -0.231 0.000 2.585 263 L HA 0.124 4.658 4.340 0.323 0.000 0.226 263 L C -0.152 176.786 176.870 0.113 0.000 1.113 263 L CA -0.110 54.727 54.840 -0.005 0.000 0.876 263 L CB 0.023 42.104 42.059 0.037 0.000 1.072 263 L HN 0.368 nan 8.230 nan 0.000 0.468 264 H N -0.694 118.334 119.070 -0.070 0.000 2.791 264 H HA -0.130 4.619 4.556 0.322 0.000 0.302 264 H C 0.308 175.724 175.328 0.146 0.000 1.198 264 H CA 0.189 56.148 56.048 -0.147 0.000 1.145 264 H CB -2.049 27.230 29.762 -0.804 0.000 1.385 264 H HN 0.299 nan 8.280 nan 0.000 0.409 265 L N 0.604 121.927 121.223 0.166 0.000 2.472 265 L HA 0.337 4.871 4.340 0.323 0.000 0.260 265 L C 1.192 178.183 176.870 0.202 0.000 1.209 265 L CA 0.649 55.607 54.840 0.197 0.000 0.817 265 L CB 1.165 43.237 42.059 0.021 0.000 1.106 265 L HN 0.446 nan 8.230 nan 0.000 0.479 266 S N -0.791 115.078 115.700 0.282 0.000 2.661 266 S HA 0.385 5.049 4.470 0.323 0.000 0.268 266 S C -0.643 174.077 174.600 0.199 0.000 1.162 266 S CA -0.430 57.870 58.200 0.165 0.000 0.817 266 S CB 0.973 64.217 63.200 0.075 0.000 1.141 266 S HN 0.700 nan 8.310 nan 0.000 0.477 267 S N 0.530 116.294 115.700 0.107 0.000 2.566 267 S HA 0.322 4.986 4.470 0.323 0.000 0.280 267 S C -2.036 172.653 174.600 0.149 0.000 1.343 267 S CA -0.292 57.972 58.200 0.106 0.000 1.036 267 S CB -0.171 63.053 63.200 0.040 0.000 0.866 267 S HN 0.611 nan 8.310 nan 0.000 0.526 268 P HA 0.006 nan 4.420 nan 0.000 0.236 268 P C 0.894 178.270 177.300 0.127 0.000 1.177 268 P CA 0.673 63.893 63.100 0.199 0.000 0.773 268 P CB -0.167 31.590 31.700 0.096 0.000 0.878 269 D N -0.280 120.140 120.400 0.034 0.000 2.311 269 D HA -0.183 4.651 4.640 0.323 0.000 0.212 269 D C 0.786 177.044 176.300 -0.071 0.000 0.972 269 D CA 0.923 54.918 54.000 -0.009 0.000 0.887 269 D CB -1.269 39.516 40.800 -0.024 0.000 0.915 269 D HN 0.262 nan 8.370 nan 0.000 0.497 270 N N -1.238 117.365 118.700 -0.162 0.000 2.398 270 N HA 0.087 5.021 4.740 0.323 0.000 0.188 270 N C -0.679 174.438 175.510 -0.654 0.000 1.122 270 N CA -0.068 52.736 53.050 -0.409 0.000 0.866 270 N CB 0.104 38.262 38.487 -0.548 0.000 0.970 270 N HN 0.061 nan 8.380 nan 0.000 0.462 271 F N -0.168 119.738 119.950 -0.073 0.000 2.460 271 F HA 0.383 5.108 4.527 0.330 0.000 0.341 271 F C 1.288 177.026 175.800 -0.103 0.000 1.130 271 F CA -1.206 56.725 58.000 -0.114 0.000 0.962 271 F CB 1.404 40.314 39.000 -0.149 0.000 1.171 271 F HN -0.250 nan 8.300 nan 0.000 0.436 272 R N 2.300 122.806 120.500 0.010 0.000 2.140 272 R HA -0.229 4.305 4.340 0.323 0.000 0.250 272 R C 1.260 177.638 176.300 0.131 0.000 1.150 272 R CA 2.033 58.139 56.100 0.009 0.000 0.966 272 R CB -0.395 29.863 30.300 -0.071 0.000 0.869 272 R HN 0.785 nan 8.270 nan 0.000 0.445 273 Y N -0.491 119.796 120.300 -0.022 0.000 2.632 273 Y HA -0.067 4.677 4.550 0.324 0.000 0.301 273 Y C 1.475 177.248 175.900 -0.211 0.000 1.172 273 Y CA -0.051 57.965 58.100 -0.140 0.000 1.328 273 Y CB 0.319 38.641 38.460 -0.230 0.000 1.016 273 Y HN 0.167 nan 8.280 nan 0.000 0.529 274 L N -1.156 120.088 121.223 0.036 0.000 2.730 274 L HA 0.014 4.548 4.340 0.323 0.000 0.236 274 L C 1.580 178.488 176.870 0.064 0.000 1.061 274 L CA 0.123 54.968 54.840 0.010 0.000 0.898 274 L CB -0.174 41.864 42.059 -0.034 0.000 1.270 274 L HN 0.116 nan 8.230 nan 0.000 0.500 275 N N 0.255 118.990 118.700 0.059 0.000 2.467 275 N HA -0.112 4.822 4.740 0.323 0.000 0.184 275 N C 1.591 177.111 175.510 0.018 0.000 1.106 275 N CA 0.558 53.630 53.050 0.036 0.000 0.892 275 N CB -0.060 38.437 38.487 0.016 0.000 0.969 275 N HN 0.053 nan 8.380 nan 0.000 0.454 276 R N -0.050 120.462 120.500 0.019 0.000 2.193 276 R HA 0.290 4.824 4.340 0.323 0.000 0.213 276 R C 1.262 177.558 176.300 -0.007 0.000 1.055 276 R CA 0.688 56.790 56.100 0.004 0.000 0.995 276 R CB -0.415 29.888 30.300 0.005 0.000 0.893 276 R HN 0.355 nan 8.270 nan 0.000 0.459 277 G N -1.197 107.605 108.800 0.002 0.000 2.532 277 G HA2 0.132 4.286 3.960 0.323 0.000 0.291 277 G HA3 0.132 4.286 3.960 0.323 0.000 0.291 277 G C -0.789 174.101 174.900 -0.017 0.000 1.349 277 G CA -0.612 44.481 45.100 -0.012 0.000 1.038 277 G HN 0.299 nan 8.290 nan 0.000 0.518 278 C N 0.860 120.131 119.300 -0.048 0.000 2.627 278 C HA 0.434 5.088 4.460 0.323 0.000 0.404 278 C C 1.966 176.914 174.990 -0.070 0.000 1.340 278 C CA 0.322 59.294 59.018 -0.078 0.000 1.758 278 C CB -0.868 26.796 27.740 -0.126 0.000 2.501 278 C HN 0.750 nan 8.230 nan 0.000 0.588 279 T N 3.399 117.926 114.554 -0.045 0.000 3.122 279 T HA 0.195 4.739 4.350 0.323 0.000 0.250 279 T C 0.646 175.248 174.700 -0.164 0.000 1.067 279 T CA -0.059 62.031 62.100 -0.018 0.000 0.966 279 T CB -0.230 68.633 68.868 -0.009 0.000 1.002 279 T HN 0.788 nan 8.240 nan 0.000 0.542 280 R N 0.902 121.301 120.500 -0.169 0.000 2.441 280 R HA 0.409 4.943 4.340 0.323 0.000 0.284 280 R C -0.846 175.321 176.300 -0.222 0.000 1.070 280 R CA -0.542 55.487 56.100 -0.119 0.000 1.047 280 R CB 0.451 30.711 30.300 -0.067 0.000 1.016 280 R HN 0.279 nan 8.270 nan 0.000 0.477 281 Y N 1.122 121.499 120.300 0.129 0.000 2.301 281 Y HA 0.181 4.922 4.550 0.320 0.000 0.325 281 Y C 0.379 176.280 175.900 0.001 0.000 1.203 281 Y CA -0.715 57.413 58.100 0.046 0.000 1.255 281 Y CB 0.424 38.907 38.460 0.039 0.000 1.232 281 Y HN 0.356 nan 8.280 nan 0.000 0.501 282 F N 1.891 122.001 119.950 0.265 0.000 2.502 282 F HA 0.460 5.187 4.527 0.332 0.000 0.371 282 F C 0.472 176.385 175.800 0.187 0.000 1.083 282 F CA 0.166 58.265 58.000 0.165 0.000 1.174 282 F CB 0.015 39.060 39.000 0.075 0.000 1.096 282 F HN 0.515 nan 8.300 nan 0.000 0.545 283 A N 3.311 126.324 122.820 0.323 0.000 2.604 283 A HA 0.630 5.144 4.320 0.323 0.000 0.295 283 A C -1.115 176.569 177.584 0.166 0.000 1.067 283 A CA -1.009 51.173 52.037 0.243 0.000 0.683 283 A CB 1.340 20.518 19.000 0.296 0.000 1.281 283 A HN 0.677 nan 8.150 nan 0.000 0.407 284 N N 0.288 119.059 118.700 0.118 0.000 2.741 284 N HA 0.377 5.311 4.740 0.323 0.000 0.310 284 N C 0.581 176.126 175.510 0.059 0.000 1.295 284 N CA -0.271 52.825 53.050 0.077 0.000 0.893 284 N CB 0.674 39.197 38.487 0.061 0.000 1.247 284 N HN 0.629 nan 8.380 nan 0.000 0.596 285 K N -0.535 119.888 120.400 0.037 0.000 2.097 285 K HA -0.148 4.366 4.320 0.323 0.000 0.206 285 K C 0.955 177.568 176.600 0.021 0.000 1.049 285 K CA 1.589 57.892 56.287 0.027 0.000 0.933 285 K CB -0.036 32.474 32.500 0.016 0.000 0.717 285 K HN 0.599 nan 8.250 nan 0.000 0.442 286 E N -0.351 119.858 120.200 0.015 0.000 2.033 286 E HA -0.123 4.421 4.350 0.323 0.000 0.189 286 E C 2.048 178.633 176.600 -0.024 0.000 0.979 286 E CA 1.846 58.245 56.400 -0.002 0.000 0.802 286 E CB -0.327 29.373 29.700 0.001 0.000 0.763 286 E HN 0.499 nan 8.360 nan 0.000 0.449 287 T N -0.568 113.978 114.554 -0.014 0.000 2.867 287 T HA -0.188 4.356 4.350 0.323 0.000 0.268 287 T C 1.693 176.354 174.700 -0.064 0.000 1.057 287 T CA 1.412 63.473 62.100 -0.065 0.000 1.136 287 T CB -0.356 68.515 68.868 0.006 0.000 0.874 287 T HN 0.103 nan 8.240 nan 0.000 0.466 288 D N 1.492 121.912 120.400 0.034 0.000 2.158 288 D HA -0.136 4.698 4.640 0.323 0.000 0.197 288 D C 2.105 178.424 176.300 0.031 0.000 0.995 288 D CA 1.125 55.183 54.000 0.097 0.000 0.846 288 D CB -0.219 40.673 40.800 0.153 0.000 0.941 288 D HN 0.437 nan 8.370 nan 0.000 0.456 289 K N -0.619 119.775 120.400 -0.010 0.000 2.365 289 K HA -0.045 4.469 4.320 0.323 0.000 0.199 289 K C 1.863 178.415 176.600 -0.079 0.000 1.045 289 K CA 0.685 56.956 56.287 -0.026 0.000 0.962 289 K CB 0.068 32.554 32.500 -0.022 0.000 0.759 289 K HN 0.416 nan 8.250 nan 0.000 0.469 290 Q N 0.181 119.876 119.800 -0.175 0.000 2.392 290 Q HA 0.137 4.671 4.340 0.323 0.000 0.203 290 Q C 0.050 175.895 176.000 -0.259 0.000 0.917 290 Q CA 0.183 55.808 55.803 -0.297 0.000 0.939 290 Q CB 0.363 28.727 28.738 -0.624 0.000 1.063 290 Q HN 0.257 nan 8.270 nan 0.000 0.516 291 I N 2.049 122.527 120.570 -0.155 0.000 2.325 291 I HA 0.070 4.434 4.170 0.323 0.000 0.291 291 I C -0.383 175.711 176.117 -0.038 0.000 1.019 291 I CA -0.792 60.461 61.300 -0.078 0.000 1.302 291 I CB 0.727 38.653 38.000 -0.123 0.000 1.401 291 I HN -0.027 nan 8.210 nan 0.000 0.485 292 L N 6.299 127.506 121.223 -0.026 0.000 2.514 292 L HA -0.062 4.472 4.340 0.323 0.000 0.280 292 L C 1.699 178.571 176.870 0.003 0.000 1.223 292 L CA 0.796 55.629 54.840 -0.010 0.000 0.864 292 L CB -0.037 42.014 42.059 -0.013 0.000 1.118 292 L HN 0.641 nan 8.230 nan 0.000 0.494 293 Q N 1.906 121.716 119.800 0.017 0.000 2.291 293 Q HA -0.178 4.355 4.340 0.323 0.000 0.206 293 Q C 1.240 177.259 176.000 0.031 0.000 0.976 293 Q CA 1.372 57.195 55.803 0.033 0.000 0.875 293 Q CB 0.032 28.791 28.738 0.034 0.000 0.927 293 Q HN 0.846 nan 8.270 nan 0.000 0.450 294 N N -0.500 118.212 118.700 0.021 0.000 2.461 294 N HA -0.084 4.849 4.740 0.323 0.000 0.188 294 N C 0.806 176.336 175.510 0.033 0.000 1.134 294 N CA 0.323 53.386 53.050 0.022 0.000 0.878 294 N CB 0.000 38.495 38.487 0.013 0.000 0.972 294 N HN 0.043 nan 8.380 nan 0.000 0.456 295 R N 0.395 120.919 120.500 0.041 0.000 2.290 295 R HA 0.215 4.748 4.340 0.323 0.000 0.197 295 R C -0.040 176.342 176.300 0.137 0.000 0.913 295 R CA 0.113 56.266 56.100 0.089 0.000 1.040 295 R CB 0.199 30.526 30.300 0.045 0.000 0.992 295 R HN 0.325 nan 8.270 nan 0.000 0.500 296 K N 1.741 122.173 120.400 0.054 0.000 2.211 296 K HA 0.188 4.701 4.320 0.323 0.000 0.275 296 K C 0.275 176.874 176.600 -0.002 0.000 1.024 296 K CA -0.200 56.071 56.287 -0.027 0.000 0.887 296 K CB 1.617 34.127 32.500 0.017 0.000 1.084 296 K HN -0.010 nan 8.250 nan 0.000 0.463 297 S N 2.293 117.964 115.700 -0.048 0.000 2.614 297 S HA 0.215 4.879 4.470 0.323 0.000 0.265 297 S C -1.836 172.794 174.600 0.051 0.000 1.303 297 S CA -1.167 57.029 58.200 -0.007 0.000 1.000 297 S CB 0.983 64.157 63.200 -0.043 0.000 0.935 297 S HN 0.287 nan 8.310 nan 0.000 0.551 298 P HA -0.074 nan 4.420 nan 0.000 0.217 298 P C 1.413 178.730 177.300 0.027 0.000 1.150 298 P CA 1.115 64.232 63.100 0.028 0.000 0.832 298 P CB 0.015 31.718 31.700 0.006 0.000 0.787 299 E N -1.456 118.755 120.200 0.018 0.000 2.106 299 E HA -0.226 4.317 4.350 0.323 0.000 0.192 299 E C 1.887 178.495 176.600 0.013 0.000 0.984 299 E CA 0.832 57.231 56.400 -0.001 0.000 0.806 299 E CB -0.439 29.252 29.700 -0.016 0.000 0.750 299 E HN 0.202 nan 8.360 nan 0.000 0.458 300 Y N 0.985 121.234 120.300 -0.084 0.000 2.200 300 Y HA -0.161 4.583 4.550 0.322 0.000 0.290 300 Y C 2.014 177.892 175.900 -0.036 0.000 1.137 300 Y CA 1.558 59.611 58.100 -0.079 0.000 1.163 300 Y CB -0.076 38.321 38.460 -0.105 0.000 0.988 300 Y HN 0.010 nan 8.280 nan 0.000 0.518 301 L N 0.185 121.489 121.223 0.135 0.000 2.141 301 L HA -0.186 4.348 4.340 0.323 0.000 0.209 301 L C 2.487 179.343 176.870 -0.024 0.000 1.094 301 L CA 1.745 56.626 54.840 0.069 0.000 0.763 301 L CB -0.427 41.689 42.059 0.095 0.000 0.908 301 L HN 0.162 nan 8.230 nan 0.000 0.437 302 K N 0.235 120.616 120.400 -0.032 0.000 2.067 302 K HA -0.023 4.490 4.320 0.323 0.000 0.203 302 K C 1.970 178.522 176.600 -0.080 0.000 1.048 302 K CA 1.086 57.345 56.287 -0.046 0.000 0.954 302 K CB 0.045 32.526 32.500 -0.031 0.000 0.737 302 K HN 0.188 nan 8.250 nan 0.000 0.444 303 A N 0.484 123.238 122.820 -0.110 0.000 2.169 303 A HA 0.357 4.871 4.320 0.323 0.000 0.210 303 A C 0.781 178.245 177.584 -0.200 0.000 1.168 303 A CA 0.723 52.682 52.037 -0.129 0.000 0.813 303 A CB -0.206 18.729 19.000 -0.110 0.000 0.861 303 A HN 0.558 nan 8.150 nan 0.000 0.481 304 G N -0.492 108.108 108.800 -0.333 0.000 2.728 304 G HA2 0.082 4.236 3.960 0.323 0.000 0.294 304 G HA3 0.082 4.236 3.960 0.323 0.000 0.294 304 G C 0.148 174.657 174.900 -0.651 0.000 1.342 304 G CA -0.057 44.747 45.100 -0.493 0.000 0.866 304 G HN 1.632 nan 8.290 nan 0.000 0.534 305 S N -0.945 114.427 115.700 -0.548 0.000 2.614 305 S HA 0.676 5.340 4.470 0.323 0.000 0.265 305 S C 0.617 175.140 174.600 -0.129 0.000 1.303 305 S CA -0.390 57.672 58.200 -0.231 0.000 1.000 305 S CB 1.045 64.268 63.200 0.040 0.000 0.935 305 S HN 1.024 nan 8.310 nan 0.000 0.551 306 L N 1.590 122.737 121.223 -0.126 0.000 2.371 306 L HA 0.415 4.949 4.340 0.323 0.000 0.272 306 L C 0.273 177.173 176.870 0.051 0.000 1.124 306 L CA -0.662 54.068 54.840 -0.184 0.000 0.816 306 L CB 0.537 42.193 42.059 -0.672 0.000 1.129 306 L HN 0.558 nan 8.230 nan 0.000 0.448 307 K N 2.992 123.455 120.400 0.106 0.000 2.213 307 K HA 0.421 4.935 4.320 0.323 0.000 0.270 307 K C -0.999 175.736 176.600 0.224 0.000 1.002 307 K CA -0.379 56.000 56.287 0.152 0.000 0.868 307 K CB 1.622 34.165 32.500 0.072 0.000 1.093 307 K HN 0.502 nan 8.250 nan 0.000 0.454 308 D N 3.318 123.843 120.400 0.208 0.000 2.937 308 D HA 0.159 4.992 4.640 0.323 0.000 0.215 308 D C -1.868 174.462 176.300 0.050 0.000 1.274 308 D CA -1.254 52.811 54.000 0.108 0.000 0.869 308 D CB 2.263 43.082 40.800 0.031 0.000 1.675 308 D HN 0.147 nan 8.370 nan 0.000 0.538 309 P HA 0.092 nan 4.420 nan 0.000 0.226 309 P C 0.821 178.121 177.300 0.001 0.000 1.153 309 P CA 0.467 63.575 63.100 0.015 0.000 0.777 309 P CB 0.480 32.184 31.700 0.007 0.000 0.794 310 G N -0.620 108.164 108.800 -0.026 0.000 3.863 310 G HA2 0.492 4.645 3.960 0.323 0.000 0.290 310 G HA3 0.492 4.645 3.960 0.323 0.000 0.290 310 G C -0.154 174.688 174.900 -0.096 0.000 1.018 310 G CA -0.112 44.964 45.100 -0.041 0.000 0.824 310 G HN 0.145 nan 8.290 nan 0.000 0.507 311 L N 0.153 121.294 121.223 -0.137 0.000 2.482 311 L HA 0.602 5.135 4.340 0.323 0.000 0.263 311 L C -1.933 174.870 176.870 -0.111 0.000 0.957 311 L CA -0.910 53.780 54.840 -0.250 0.000 0.836 311 L CB 3.039 44.724 42.059 -0.622 0.000 1.324 311 L HN -0.062 nan 8.230 nan 0.000 0.406 312 D N 1.352 121.733 120.400 -0.031 0.000 2.688 312 D HA 0.091 4.925 4.640 0.323 0.000 0.210 312 D C -0.511 175.863 176.300 0.123 0.000 1.333 312 D CA -0.318 53.751 54.000 0.116 0.000 0.920 312 D CB 2.296 43.157 40.800 0.101 0.000 1.554 312 D HN 0.552 nan 8.370 nan 0.000 0.579 313 D N 1.170 121.686 120.400 0.193 0.000 2.097 313 D HA -0.183 4.651 4.640 0.323 0.000 0.195 313 D C 1.502 177.845 176.300 0.071 0.000 0.989 313 D CA 0.919 55.006 54.000 0.146 0.000 0.827 313 D CB 0.056 40.963 40.800 0.178 0.000 0.966 313 D HN 0.592 nan 8.370 nan 0.000 0.456 314 H N 0.662 119.709 119.070 -0.038 0.000 2.299 314 H HA -0.061 4.691 4.556 0.326 0.000 0.302 314 H C 2.075 177.445 175.328 0.070 0.000 1.078 314 H CA 2.004 58.029 56.048 -0.037 0.000 1.323 314 H CB -0.271 29.446 29.762 -0.074 0.000 1.381 314 H HN 0.153 nan 8.280 nan 0.000 0.498 315 G N 0.202 109.141 108.800 0.231 0.000 2.422 315 G HA2 -0.197 3.957 3.960 0.323 0.000 0.218 315 G HA3 -0.197 3.957 3.960 0.323 0.000 0.218 315 G C 1.344 176.294 174.900 0.083 0.000 1.140 315 G CA 0.717 45.919 45.100 0.169 0.000 0.775 315 G HN 0.400 nan 8.290 nan 0.000 0.545 316 D N -0.023 120.420 120.400 0.072 0.000 2.178 316 D HA -0.071 4.763 4.640 0.323 0.000 0.202 316 D C 1.877 178.205 176.300 0.047 0.000 0.974 316 D CA 0.207 54.231 54.000 0.039 0.000 0.841 316 D CB -0.276 40.531 40.800 0.011 0.000 0.953 316 D HN 0.294 nan 8.370 nan 0.000 0.478 317 F N 1.621 121.527 119.950 -0.074 0.000 2.069 317 F HA -0.189 4.533 4.527 0.324 0.000 0.298 317 F C 2.125 177.882 175.800 -0.071 0.000 1.113 317 F CA 1.283 59.222 58.000 -0.102 0.000 1.214 317 F CB -0.335 38.536 39.000 -0.215 0.000 0.978 317 F HN -0.148 nan 8.300 nan 0.000 0.474 318 I N 0.148 120.669 120.570 -0.082 0.000 2.179 318 I HA -0.320 4.043 4.170 0.323 0.000 0.242 318 I C 2.578 178.619 176.117 -0.126 0.000 1.088 318 I CA 1.507 62.736 61.300 -0.118 0.000 1.357 318 I CB -0.532 37.475 38.000 0.011 0.000 1.051 318 I HN 0.074 nan 8.210 nan 0.000 0.409 319 R N 0.117 120.577 120.500 -0.067 0.000 2.091 319 R HA -0.212 4.321 4.340 0.323 0.000 0.238 319 R C 2.385 178.641 176.300 -0.074 0.000 1.136 319 R CA 1.747 57.817 56.100 -0.050 0.000 0.959 319 R CB -0.388 29.902 30.300 -0.017 0.000 0.856 319 R HN 0.406 nan 8.270 nan 0.000 0.437 320 M N 0.108 119.645 119.600 -0.106 0.000 2.117 320 M HA -0.200 4.474 4.480 0.323 0.000 0.262 320 M C 1.990 178.205 176.300 -0.142 0.000 1.065 320 M CA 1.635 56.880 55.300 -0.092 0.000 1.114 320 M CB -0.101 32.454 32.600 -0.075 0.000 1.361 320 M HN 0.275 nan 8.290 nan 0.000 0.408 321 C N 0.326 119.462 119.300 -0.273 0.000 2.429 321 C HA -0.116 4.538 4.460 0.323 0.000 0.277 321 C C 2.631 177.542 174.990 -0.131 0.000 1.262 321 C CA 1.592 60.468 59.018 -0.237 0.000 1.733 321 C CB -1.300 26.232 27.740 -0.347 0.000 2.010 321 C HN 0.608 nan 8.230 nan 0.000 0.483 322 T N 1.110 115.599 114.554 -0.107 0.000 2.759 322 T HA -0.138 4.405 4.350 0.323 0.000 0.269 322 T C 2.019 176.687 174.700 -0.053 0.000 1.042 322 T CA 1.723 63.784 62.100 -0.064 0.000 1.140 322 T CB -0.321 68.521 68.868 -0.044 0.000 0.864 322 T HN 0.660 nan 8.240 nan 0.000 0.455 323 A N 0.938 123.727 122.820 -0.052 0.000 1.930 323 A HA 0.127 4.641 4.320 0.323 0.000 0.215 323 A C 2.291 179.846 177.584 -0.049 0.000 1.176 323 A CA 0.947 52.962 52.037 -0.037 0.000 0.632 323 A CB -0.566 18.422 19.000 -0.019 0.000 0.819 323 A HN 0.429 nan 8.150 nan 0.000 0.445 324 M N -0.646 118.916 119.600 -0.063 0.000 2.149 324 M HA -0.174 4.500 4.480 0.323 0.000 0.261 324 M C 2.165 178.416 176.300 -0.082 0.000 1.064 324 M CA 1.593 56.844 55.300 -0.082 0.000 1.102 324 M CB -0.245 32.294 32.600 -0.102 0.000 1.369 324 M HN 0.320 nan 8.290 nan 0.000 0.408 325 K N 0.029 120.386 120.400 -0.072 0.000 2.031 325 K HA -0.159 4.354 4.320 0.323 0.000 0.205 325 K C 2.011 178.580 176.600 -0.051 0.000 1.049 325 K CA 1.056 57.306 56.287 -0.061 0.000 0.939 325 K CB -0.045 32.424 32.500 -0.052 0.000 0.717 325 K HN -0.054 nan 8.250 nan 0.000 0.438 326 K N 1.735 122.109 120.400 -0.043 0.000 2.280 326 K HA -0.114 4.400 4.320 0.323 0.000 0.202 326 K C 1.470 178.049 176.600 -0.035 0.000 1.047 326 K CA 1.045 57.313 56.287 -0.032 0.000 0.942 326 K CB -0.065 32.421 32.500 -0.024 0.000 0.739 326 K HN 0.309 nan 8.250 nan 0.000 0.457 327 I N -4.579 115.962 120.570 -0.048 0.000 3.927 327 I HA 0.488 4.852 4.170 0.323 0.000 0.332 327 I C 0.827 176.894 176.117 -0.083 0.000 1.485 327 I CA 0.254 61.518 61.300 -0.061 0.000 1.131 327 I CB 0.820 38.780 38.000 -0.067 0.000 1.092 327 I HN 0.113 nan 8.210 nan 0.000 0.410 328 G N 1.223 109.979 108.800 -0.075 0.000 2.213 328 G HA2 -0.236 3.918 3.960 0.323 0.000 0.236 328 G HA3 -0.236 3.918 3.960 0.323 0.000 0.236 328 G C -0.069 174.778 174.900 -0.089 0.000 0.991 328 G CA -0.106 44.947 45.100 -0.079 0.000 0.629 328 G HN 0.269 nan 8.290 nan 0.000 0.517 329 L N 3.606 124.768 121.223 -0.101 0.000 2.638 329 L HA 0.272 4.806 4.340 0.323 0.000 0.273 329 L C 0.962 177.770 176.870 -0.104 0.000 1.147 329 L CA -0.085 54.688 54.840 -0.111 0.000 0.941 329 L CB 0.039 42.020 42.059 -0.130 0.000 1.251 329 L HN 0.446 nan 8.230 nan 0.000 0.479 330 D N 1.450 121.793 120.400 -0.096 0.000 2.357 330 D HA -0.035 4.799 4.640 0.323 0.000 0.242 330 D C 0.353 176.586 176.300 -0.111 0.000 1.153 330 D CA -0.426 53.522 54.000 -0.088 0.000 0.918 330 D CB 0.890 41.646 40.800 -0.073 0.000 1.181 330 D HN 0.391 nan 8.370 nan 0.000 0.435 331 D N 0.460 120.804 120.400 -0.094 0.000 2.263 331 D HA -0.131 4.703 4.640 0.323 0.000 0.208 331 D C 1.483 177.707 176.300 -0.127 0.000 0.971 331 D CA 1.176 55.116 54.000 -0.100 0.000 0.867 331 D CB 0.092 40.858 40.800 -0.057 0.000 0.929 331 D HN 0.500 nan 8.370 nan 0.000 0.492 332 E N 0.221 120.348 120.200 -0.122 0.000 2.112 332 E HA -0.067 4.477 4.350 0.323 0.000 0.190 332 E C 1.805 178.270 176.600 -0.226 0.000 0.979 332 E CA 0.539 56.855 56.400 -0.140 0.000 0.814 332 E CB -0.019 29.622 29.700 -0.100 0.000 0.762 332 E HN 0.284 nan 8.360 nan 0.000 0.460 333 E N 0.840 120.906 120.200 -0.223 0.000 2.150 333 E HA -0.195 4.348 4.350 0.323 0.000 0.193 333 E C 1.868 178.221 176.600 -0.412 0.000 0.985 333 E CA 0.712 56.933 56.400 -0.298 0.000 0.814 333 E CB 0.116 29.726 29.700 -0.150 0.000 0.752 333 E HN 0.062 nan 8.360 nan 0.000 0.466 334 K N 0.447 120.619 120.400 -0.380 0.000 2.001 334 K HA -0.207 4.306 4.320 0.323 0.000 0.214 334 K C 2.229 178.347 176.600 -0.803 0.000 1.050 334 K CA 1.375 57.314 56.287 -0.580 0.000 0.934 334 K CB -0.203 32.046 32.500 -0.418 0.000 0.718 334 K HN 0.088 nan 8.250 nan 0.000 0.443 335 L N 1.642 122.591 121.223 -0.457 0.000 2.141 335 L HA -0.141 4.393 4.340 0.323 0.000 0.209 335 L C 1.326 178.024 176.870 -0.287 0.000 1.094 335 L CA 1.855 56.542 54.840 -0.255 0.000 0.763 335 L CB -0.557 41.446 42.059 -0.094 0.000 0.908 335 L HN 0.191 nan 8.230 nan 0.000 0.437 336 D N -0.395 119.717 120.400 -0.480 0.000 2.097 336 D HA -0.195 4.639 4.640 0.323 0.000 0.195 336 D C 2.310 178.202 176.300 -0.680 0.000 0.989 336 D CA 1.644 55.197 54.000 -0.744 0.000 0.827 336 D CB -0.224 39.743 40.800 -1.389 0.000 0.966 336 D HN 0.358 nan 8.370 nan 0.000 0.456 337 L N -0.356 120.501 121.223 -0.611 0.000 2.012 337 L HA -0.155 4.379 4.340 0.323 0.000 0.210 337 L C 2.520 179.429 176.870 0.063 0.000 1.073 337 L CA 1.112 55.818 54.840 -0.223 0.000 0.748 337 L CB -0.571 41.371 42.059 -0.195 0.000 0.891 337 L HN 0.048 nan 8.230 nan 0.000 0.431 338 F N -0.441 119.510 119.950 0.002 0.000 2.234 338 F HA -0.176 4.536 4.527 0.307 0.000 0.299 338 F C 2.871 178.692 175.800 0.035 0.000 1.087 338 F CA 0.425 58.449 58.000 0.040 0.000 1.340 338 F CB -0.215 38.811 39.000 0.043 0.000 1.031 338 F HN 0.012 nan 8.300 nan 0.000 0.500 339 R N 0.768 121.377 120.500 0.182 0.000 2.081 339 R HA -0.131 4.402 4.340 0.323 0.000 0.235 339 R C 1.984 178.392 176.300 0.180 0.000 1.131 339 R CA 1.357 57.544 56.100 0.145 0.000 0.960 339 R CB -0.379 29.960 30.300 0.066 0.000 0.856 339 R HN 0.121 nan 8.270 nan 0.000 0.436 340 V N 0.020 120.045 119.914 0.185 0.000 2.358 340 V HA -0.190 4.124 4.120 0.323 0.000 0.246 340 V C 2.328 178.578 176.094 0.260 0.000 1.047 340 V CA 1.443 63.884 62.300 0.236 0.000 1.035 340 V CB -0.177 31.806 31.823 0.267 0.000 0.658 340 V HN 0.176 nan 8.190 nan 0.000 0.452 341 V N 0.524 120.587 119.914 0.248 0.000 2.255 341 V HA -0.281 4.033 4.120 0.323 0.000 0.247 341 V C 2.720 178.957 176.094 0.239 0.000 1.051 341 V CA 2.276 64.715 62.300 0.231 0.000 1.018 341 V CB -1.102 30.759 31.823 0.064 0.000 0.641 341 V HN 0.563 nan 8.190 nan 0.000 0.445 342 A N 0.242 123.157 122.820 0.157 0.000 1.969 342 A HA -0.019 4.495 4.320 0.323 0.000 0.218 342 A C 2.410 180.100 177.584 0.175 0.000 1.169 342 A CA 1.655 53.735 52.037 0.072 0.000 0.635 342 A CB -1.164 17.889 19.000 0.088 0.000 0.810 342 A HN 0.538 nan 8.150 nan 0.000 0.445 343 G N -0.248 108.708 108.800 0.260 0.000 2.469 343 G HA2 -0.207 3.947 3.960 0.323 0.000 0.219 343 G HA3 -0.207 3.947 3.960 0.323 0.000 0.219 343 G C 1.519 176.591 174.900 0.287 0.000 1.150 343 G CA 1.387 46.663 45.100 0.293 0.000 0.763 343 G HN 0.320 nan 8.290 nan 0.000 0.561 344 V N 0.787 120.888 119.914 0.311 0.000 2.343 344 V HA -0.113 4.201 4.120 0.323 0.000 0.247 344 V C 2.935 179.224 176.094 0.325 0.000 1.051 344 V CA 1.482 64.011 62.300 0.381 0.000 1.036 344 V CB -0.391 31.731 31.823 0.499 0.000 0.654 344 V HN 0.360 nan 8.190 nan 0.000 0.451 345 L N -0.872 120.448 121.223 0.161 0.000 2.042 345 L HA -0.211 4.323 4.340 0.323 0.000 0.210 345 L C 2.669 179.505 176.870 -0.057 0.000 1.076 345 L CA 1.617 56.378 54.840 -0.131 0.000 0.749 345 L CB -0.816 40.818 42.059 -0.710 0.000 0.893 345 L HN 0.437 nan 8.230 nan 0.000 0.432 346 H N -0.919 118.261 119.070 0.184 0.000 2.395 346 H HA -0.114 4.637 4.556 0.325 0.000 0.299 346 H C 2.101 177.477 175.328 0.079 0.000 1.070 346 H CA 1.161 57.340 56.048 0.219 0.000 1.356 346 H CB -0.141 29.783 29.762 0.269 0.000 1.401 346 H HN 0.164 nan 8.280 nan 0.000 0.524 347 L N 1.086 122.425 121.223 0.193 0.000 2.021 347 L HA -0.116 4.417 4.340 0.323 0.000 0.215 347 L C 2.474 179.303 176.870 -0.067 0.000 1.074 347 L CA 2.195 57.107 54.840 0.119 0.000 0.760 347 L CB -1.155 41.038 42.059 0.223 0.000 0.889 347 L HN 0.274 nan 8.230 nan 0.000 0.433 348 G N -1.267 107.273 108.800 -0.433 0.000 2.498 348 G HA2 -0.267 3.886 3.960 0.323 0.000 0.219 348 G HA3 -0.267 3.886 3.960 0.323 0.000 0.219 348 G C 1.323 175.914 174.900 -0.515 0.000 1.119 348 G CA 0.750 45.160 45.100 -1.149 0.000 0.766 348 G HN 0.491 nan 8.290 nan 0.000 0.552 349 N N 0.177 118.732 118.700 -0.241 0.000 2.412 349 N HA 0.101 5.034 4.740 0.323 0.000 0.184 349 N C 0.743 176.153 175.510 -0.167 0.000 1.101 349 N CA -0.087 52.874 53.050 -0.148 0.000 0.881 349 N CB 0.258 38.719 38.487 -0.043 0.000 0.969 349 N HN 0.295 nan 8.380 nan 0.000 0.459 350 I N 1.833 122.292 120.570 -0.184 0.000 2.587 350 I HA -0.040 4.323 4.170 0.323 0.000 0.284 350 I C 0.143 175.940 176.117 -0.534 0.000 1.134 350 I CA 0.510 61.627 61.300 -0.305 0.000 1.410 350 I CB 0.301 38.166 38.000 -0.224 0.000 1.392 350 I HN -0.158 nan 8.210 nan 0.000 0.545 351 D N 6.415 126.460 120.400 -0.591 0.000 2.340 351 D HA 0.584 5.418 4.640 0.323 0.000 0.243 351 D C -0.760 175.024 176.300 -0.859 0.000 0.988 351 D CA -0.189 53.452 54.000 -0.598 0.000 0.959 351 D CB 2.172 42.814 40.800 -0.264 0.000 1.226 351 D HN 0.137 nan 8.370 nan 0.000 0.509 352 F N -0.059 119.892 119.950 0.001 0.000 2.588 352 F HA 0.302 5.022 4.527 0.322 0.000 0.314 352 F C 0.261 176.061 175.800 -0.000 0.000 1.069 352 F CA -0.992 57.010 58.000 0.003 0.000 0.931 352 F CB 2.013 41.020 39.000 0.011 0.000 1.260 352 F HN 0.165 nan 8.300 nan 0.000 0.465 353 E N 0.117 120.433 120.200 0.194 0.000 2.317 353 E HA 0.318 4.862 4.350 0.323 0.000 0.270 353 E C -1.333 175.317 176.600 0.083 0.000 0.885 353 E CA -1.070 55.390 56.400 0.100 0.000 0.760 353 E CB 2.433 32.165 29.700 0.052 0.000 1.227 353 E HN 0.638 nan 8.360 nan 0.000 0.434 354 E N 1.332 121.565 120.200 0.054 0.000 2.415 354 E HA 0.048 4.592 4.350 0.323 0.000 0.263 354 E C 0.336 176.952 176.600 0.027 0.000 0.995 354 E CA 0.466 56.886 56.400 0.034 0.000 0.915 354 E CB 0.962 30.675 29.700 0.022 0.000 0.951 354 E HN 0.668 nan 8.360 nan 0.000 0.449 355 A N 3.859 126.691 122.820 0.020 0.000 1.826 355 A HA 0.103 4.617 4.320 0.323 0.000 0.214 355 A C 1.675 179.264 177.584 0.008 0.000 1.212 355 A CA 1.293 53.339 52.037 0.015 0.000 0.605 355 A CB -0.892 18.114 19.000 0.010 0.000 0.861 355 A HN 1.095 nan 8.150 nan 0.000 0.447 356 G N -2.376 106.427 108.800 0.004 0.000 2.143 356 G HA2 0.053 4.207 3.960 0.323 0.000 0.249 356 G HA3 0.053 4.207 3.960 0.323 0.000 0.249 356 G C 0.619 175.519 174.900 0.000 0.000 0.981 356 G CA 1.049 46.150 45.100 0.002 0.000 0.665 356 G HN 1.506 nan 8.290 nan 0.000 0.528 361 G N -1.736 107.051 108.800 -0.022 0.000 2.516 361 G HA2 0.383 4.537 3.960 0.323 0.000 0.220 361 G HA3 0.383 4.537 3.960 0.323 0.000 0.220 361 G C 0.419 175.307 174.900 -0.020 0.000 1.165 361 G CA 0.793 45.874 45.100 -0.032 0.000 1.013 361 G HN 2.757 nan 8.290 nan 0.000 0.590 362 C N -0.653 118.634 119.300 -0.021 0.000 3.241 362 C HA 0.920 5.574 4.460 0.323 0.000 0.312 362 C C -0.536 174.484 174.990 0.050 0.000 1.350 362 C CA -1.137 57.891 59.018 0.017 0.000 1.415 362 C CB 1.510 29.252 27.740 0.004 0.000 1.770 362 C HN 1.035 nan 8.230 nan 0.000 0.466 363 N N 0.534 119.297 118.700 0.105 0.000 2.292 363 N HA 0.588 5.522 4.740 0.323 0.000 0.303 363 N C -1.214 174.437 175.510 0.234 0.000 1.140 363 N CA -0.397 52.731 53.050 0.130 0.000 0.788 363 N CB 1.714 40.243 38.487 0.071 0.000 1.361 363 N HN 0.687 nan 8.380 nan 0.000 0.489 364 L N 1.804 123.165 121.223 0.230 0.000 2.584 364 L HA 0.010 4.544 4.340 0.323 0.000 0.272 364 L C 1.090 177.962 176.870 0.004 0.000 1.195 364 L CA 0.718 55.621 54.840 0.105 0.000 0.920 364 L CB -0.349 41.737 42.059 0.046 0.000 1.173 364 L HN 0.254 nan 8.230 nan 0.000 0.489 365 K N 2.520 122.882 120.400 -0.062 0.000 2.559 365 K HA -0.151 4.363 4.320 0.323 0.000 0.279 365 K C 1.019 177.577 176.600 -0.071 0.000 0.967 365 K CA 0.297 56.547 56.287 -0.062 0.000 1.000 365 K CB 0.287 32.732 32.500 -0.091 0.000 0.890 365 K HN 0.478 nan 8.250 nan 0.000 0.501 366 N N 1.739 120.407 118.700 -0.053 0.000 2.270 366 N HA -0.140 4.794 4.740 0.323 0.000 0.181 366 N C 1.217 176.682 175.510 -0.075 0.000 1.016 366 N CA 1.042 54.058 53.050 -0.056 0.000 0.870 366 N CB 0.123 38.585 38.487 -0.041 0.000 0.979 366 N HN 0.487 nan 8.380 nan 0.000 0.431 367 K N -0.638 119.716 120.400 -0.076 0.000 2.585 367 K HA 0.038 4.551 4.320 0.323 0.000 0.194 367 K C 0.431 176.963 176.600 -0.112 0.000 1.037 367 K CA 1.070 57.305 56.287 -0.087 0.000 0.964 367 K CB 0.064 32.518 32.500 -0.077 0.000 0.787 367 K HN -0.027 nan 8.250 nan 0.000 0.488 368 S N 0.642 116.265 115.700 -0.128 0.000 2.554 368 S HA 0.053 4.717 4.470 0.323 0.000 0.226 368 S C 0.931 175.436 174.600 -0.158 0.000 0.980 368 S CA -0.095 58.012 58.200 -0.155 0.000 0.939 368 S CB 0.652 63.731 63.200 -0.201 0.000 0.832 368 S HN 0.386 nan 8.310 nan 0.000 0.486 369 T N 3.150 117.613 114.554 -0.152 0.000 2.777 369 T HA -0.196 4.348 4.350 0.323 0.000 0.266 369 T C 2.100 176.646 174.700 -0.257 0.000 1.040 369 T CA 1.463 63.466 62.100 -0.163 0.000 1.141 369 T CB -0.242 68.547 68.868 -0.131 0.000 0.868 369 T HN 0.703 nan 8.240 nan 0.000 0.444 370 Q N 1.580 121.183 119.800 -0.329 0.000 2.046 370 Q HA 0.104 4.638 4.340 0.323 0.000 0.200 370 Q C 2.596 178.132 176.000 -0.772 0.000 0.975 370 Q CA 1.247 56.664 55.803 -0.643 0.000 0.836 370 Q CB -0.649 27.725 28.738 -0.606 0.000 0.896 370 Q HN 0.446 nan 8.270 nan 0.000 0.428 371 A N 1.847 124.450 122.820 -0.361 0.000 1.892 371 A HA -0.221 4.293 4.320 0.323 0.000 0.218 371 A C 2.196 179.709 177.584 -0.118 0.000 1.188 371 A CA 1.758 53.716 52.037 -0.132 0.000 0.631 371 A CB -0.897 18.081 19.000 -0.037 0.000 0.822 371 A HN 0.453 nan 8.150 nan 0.000 0.447 372 L N 0.064 121.201 121.223 -0.144 0.000 2.042 372 L HA -0.174 4.360 4.340 0.323 0.000 0.210 372 L C 2.282 179.085 176.870 -0.112 0.000 1.076 372 L CA 2.847 57.634 54.840 -0.089 0.000 0.749 372 L CB -0.705 41.306 42.059 -0.081 0.000 0.893 372 L HN 0.623 nan 8.230 nan 0.000 0.432 373 E N -1.229 118.829 120.200 -0.236 0.000 2.051 373 E HA -0.270 4.274 4.350 0.323 0.000 0.192 373 E C 2.225 178.724 176.600 -0.168 0.000 0.991 373 E CA 1.871 58.126 56.400 -0.241 0.000 0.799 373 E CB -0.494 28.981 29.700 -0.376 0.000 0.748 373 E HN 0.728 nan 8.360 nan 0.000 0.449 374 Y N -0.055 120.087 120.300 -0.263 0.000 2.145 374 Y HA -0.273 4.471 4.550 0.324 0.000 0.286 374 Y C 3.007 178.843 175.900 -0.106 0.000 1.145 374 Y CA 0.529 58.410 58.100 -0.366 0.000 1.148 374 Y CB -0.442 37.498 38.460 -0.866 0.000 0.981 374 Y HN 0.329 nan 8.280 nan 0.000 0.507 375 C N 0.470 119.850 119.300 0.133 0.000 2.432 375 C HA -0.139 4.515 4.460 0.323 0.000 0.277 375 C C 2.976 178.049 174.990 0.139 0.000 1.249 375 C CA 1.296 60.429 59.018 0.192 0.000 1.725 375 C CB -1.339 26.508 27.740 0.178 0.000 2.028 375 C HN 0.558 nan 8.230 nan 0.000 0.477 376 A N -0.040 122.830 122.820 0.083 0.000 1.902 376 A HA -0.197 4.317 4.320 0.323 0.000 0.217 376 A C 2.285 179.914 177.584 0.075 0.000 1.181 376 A CA 1.907 53.984 52.037 0.066 0.000 0.623 376 A CB -0.910 18.109 19.000 0.032 0.000 0.818 376 A HN 0.820 nan 8.150 nan 0.000 0.443 377 E N 0.043 120.292 120.200 0.082 0.000 2.031 377 E HA -0.169 4.375 4.350 0.323 0.000 0.193 377 E C 2.000 178.672 176.600 0.121 0.000 0.994 377 E CA 1.273 57.731 56.400 0.097 0.000 0.800 377 E CB -0.231 29.540 29.700 0.118 0.000 0.752 377 E HN 0.627 nan 8.360 nan 0.000 0.447 378 L N 0.544 121.862 121.223 0.157 0.000 2.083 378 L HA -0.169 4.364 4.340 0.323 0.000 0.209 378 L C 2.430 179.393 176.870 0.154 0.000 1.083 378 L CA 0.859 55.802 54.840 0.172 0.000 0.752 378 L CB -0.234 41.963 42.059 0.231 0.000 0.899 378 L HN 0.225 nan 8.230 nan 0.000 0.433 379 L N -0.535 120.777 121.223 0.148 0.000 2.592 379 L HA 0.214 4.748 4.340 0.323 0.000 0.227 379 L C 1.079 178.005 176.870 0.094 0.000 1.127 379 L CA 0.256 55.177 54.840 0.134 0.000 0.884 379 L CB -0.389 41.753 42.059 0.138 0.000 1.065 379 L HN 0.417 nan 8.230 nan 0.000 0.457 380 G N 1.543 110.393 108.800 0.084 0.000 2.324 380 G HA2 -0.245 3.909 3.960 0.323 0.000 0.292 380 G HA3 -0.245 3.909 3.960 0.323 0.000 0.292 380 G C -0.388 174.534 174.900 0.037 0.000 1.079 380 G CA -0.071 45.064 45.100 0.059 0.000 1.026 380 G HN 0.230 nan 8.290 nan 0.000 0.506 381 L N -0.212 121.033 121.223 0.037 0.000 2.388 381 L HA 0.482 5.016 4.340 0.323 0.000 0.264 381 L C 0.044 176.927 176.870 0.021 0.000 0.998 381 L CA -1.243 53.610 54.840 0.022 0.000 0.817 381 L CB 1.893 43.966 42.059 0.023 0.000 1.338 381 L HN 0.238 nan 8.230 nan 0.000 0.414 382 D N 1.765 122.172 120.400 0.012 0.000 2.417 382 D HA -0.005 4.829 4.640 0.323 0.000 0.250 382 D C 0.674 176.981 176.300 0.012 0.000 1.166 382 D CA 0.267 54.273 54.000 0.010 0.000 0.881 382 D CB 1.411 42.215 40.800 0.006 0.000 1.164 382 D HN 0.579 nan 8.370 nan 0.000 0.467 383 Q N 2.459 122.263 119.800 0.006 0.000 2.234 383 Q HA -0.157 4.377 4.340 0.323 0.000 0.206 383 Q C 1.183 177.189 176.000 0.009 0.000 0.980 383 Q CA 0.973 56.777 55.803 0.003 0.000 0.869 383 Q CB 0.283 29.012 28.738 -0.016 0.000 0.912 383 Q HN 0.585 nan 8.270 nan 0.000 0.436 384 D N 0.496 120.901 120.400 0.008 0.000 2.162 384 D HA -0.110 4.724 4.640 0.323 0.000 0.205 384 D C 1.090 177.402 176.300 0.020 0.000 0.964 384 D CA 0.737 54.744 54.000 0.012 0.000 0.847 384 D CB 0.244 41.048 40.800 0.006 0.000 0.988 384 D HN 0.084 nan 8.370 nan 0.000 0.480 385 D N 0.503 120.913 120.400 0.016 0.000 2.158 385 D HA -0.163 4.671 4.640 0.323 0.000 0.197 385 D C 1.949 178.267 176.300 0.030 0.000 0.995 385 D CA 0.452 54.463 54.000 0.019 0.000 0.846 385 D CB -0.160 40.646 40.800 0.009 0.000 0.941 385 D HN 0.202 nan 8.370 nan 0.000 0.456 386 L N 0.377 121.620 121.223 0.035 0.000 2.095 386 L HA 0.033 4.567 4.340 0.323 0.000 0.204 386 L C 2.141 179.058 176.870 0.078 0.000 1.080 386 L CA 1.425 56.296 54.840 0.053 0.000 0.759 386 L CB -0.346 41.745 42.059 0.053 0.000 0.914 386 L HN -0.156 nan 8.230 nan 0.000 0.439 387 R N -1.064 119.477 120.500 0.068 0.000 2.091 387 R HA -0.133 4.401 4.340 0.323 0.000 0.238 387 R C 2.024 178.376 176.300 0.086 0.000 1.136 387 R CA 1.884 58.037 56.100 0.088 0.000 0.959 387 R CB -0.201 30.134 30.300 0.058 0.000 0.856 387 R HN 0.342 nan 8.270 nan 0.000 0.437 388 V N -0.190 119.760 119.914 0.059 0.000 2.323 388 V HA -0.158 4.156 4.120 0.323 0.000 0.244 388 V C 2.123 178.255 176.094 0.063 0.000 1.041 388 V CA 1.932 64.260 62.300 0.048 0.000 1.025 388 V CB -0.181 31.661 31.823 0.032 0.000 0.656 388 V HN 0.325 nan 8.190 nan 0.000 0.451 389 S N -0.203 115.548 115.700 0.084 0.000 2.447 389 S HA 0.013 4.677 4.470 0.323 0.000 0.233 389 S C 1.824 176.540 174.600 0.193 0.000 1.006 389 S CA 0.993 59.280 58.200 0.145 0.000 0.957 389 S CB -0.231 63.027 63.200 0.096 0.000 0.773 389 S HN 0.425 nan 8.310 nan 0.000 0.507 390 L N 1.160 122.464 121.223 0.135 0.000 2.217 390 L HA -0.048 4.486 4.340 0.323 0.000 0.211 390 L C 2.429 179.277 176.870 -0.036 0.000 1.107 390 L CA 1.412 56.327 54.840 0.124 0.000 0.783 390 L CB -0.478 41.723 42.059 0.237 0.000 0.919 390 L HN 0.456 nan 8.230 nan 0.000 0.442 391 T N -5.663 108.874 114.554 -0.028 0.000 3.023 391 T HA 0.098 4.642 4.350 0.323 0.000 0.253 391 T C 0.635 175.276 174.700 -0.098 0.000 1.038 391 T CA 0.265 62.294 62.100 -0.118 0.000 0.962 391 T CB 0.117 68.961 68.868 -0.040 0.000 1.018 391 T HN 0.268 nan 8.240 nan 0.000 0.521 392 T N 0.214 114.727 114.554 -0.069 0.000 2.900 392 T HA 0.731 5.275 4.350 0.323 0.000 0.303 392 T C -1.054 173.536 174.700 -0.183 0.000 1.142 392 T CA -1.184 60.850 62.100 -0.110 0.000 1.007 392 T CB 2.914 71.749 68.868 -0.054 0.000 1.156 392 T HN 0.660 nan 8.240 nan 0.000 0.490 393 R N 0.061 120.404 120.500 -0.261 0.000 2.888 393 R HA 0.869 5.403 4.340 0.323 0.000 0.264 393 R C -0.704 175.527 176.300 -0.114 0.000 1.045 393 R CA -1.118 54.796 56.100 -0.309 0.000 0.962 393 R CB 1.568 31.504 30.300 -0.607 0.000 1.210 393 R HN 0.709 nan 8.270 nan 0.000 0.479 394 V N -0.866 119.023 119.914 -0.041 0.000 2.612 394 V HA 0.683 4.997 4.120 0.323 0.000 0.301 394 V C -0.221 175.864 176.094 -0.015 0.000 1.046 394 V CA -0.837 61.454 62.300 -0.015 0.000 0.946 394 V CB 1.414 33.245 31.823 0.012 0.000 1.003 394 V HN 0.804 nan 8.190 nan 0.000 0.459 395 M N 3.787 123.378 119.600 -0.015 0.000 2.484 395 M HA 0.493 5.167 4.480 0.323 0.000 0.289 395 M C -1.295 175.003 176.300 -0.004 0.000 1.206 395 M CA -0.721 54.573 55.300 -0.010 0.000 0.892 395 M CB 2.447 35.036 32.600 -0.019 0.000 1.712 395 M HN 0.728 nan 8.290 nan 0.000 0.462 396 L N 1.362 122.585 121.223 0.001 0.000 2.436 396 L HA 0.343 4.877 4.340 0.323 0.000 0.265 396 L C 1.348 178.218 176.870 -0.001 0.000 1.168 396 L CA 0.705 55.546 54.840 0.002 0.000 0.815 396 L CB 1.372 43.434 42.059 0.005 0.000 1.109 396 L HN 0.920 nan 8.230 nan 0.000 0.462 397 T N -2.039 112.515 114.554 -0.001 0.000 3.160 397 T HA 0.089 4.633 4.350 0.323 0.000 0.257 397 T C 0.570 175.270 174.700 0.000 0.000 1.147 397 T CA 0.556 62.654 62.100 -0.002 0.000 1.064 397 T CB -0.810 68.057 68.868 -0.002 0.000 0.949 397 T HN 0.750 nan 8.240 nan 0.000 0.526 398 T N -2.958 111.597 114.554 0.002 0.000 2.865 398 T HA 0.798 5.342 4.350 0.323 0.000 0.294 398 T C 0.422 175.126 174.700 0.006 0.000 1.119 398 T CA -0.390 61.712 62.100 0.004 0.000 1.007 398 T CB 1.791 70.661 68.868 0.004 0.000 1.225 398 T HN 0.030 nan 8.240 nan 0.000 0.515 399 A N -0.500 122.324 122.820 0.007 0.000 2.340 399 A HA 0.676 5.190 4.320 0.323 0.000 0.213 399 A C 1.448 179.039 177.584 0.011 0.000 1.299 399 A CA 0.357 52.400 52.037 0.009 0.000 0.994 399 A CB 0.115 19.121 19.000 0.010 0.000 1.132 399 A HN 1.297 nan 8.150 nan 0.000 0.519 400 G N -1.355 107.451 108.800 0.009 0.000 4.331 400 G HA2 0.475 4.629 3.960 0.323 0.000 0.299 400 G HA3 0.475 4.629 3.960 0.323 0.000 0.299 400 G C 0.942 175.848 174.900 0.009 0.000 1.158 400 G CA 0.385 45.492 45.100 0.010 0.000 0.916 400 G HN 1.486 nan 8.290 nan 0.000 0.553 401 G N -0.517 108.288 108.800 0.009 0.000 2.258 401 G HA2 0.086 4.239 3.960 0.323 0.000 0.233 401 G HA3 0.086 4.239 3.960 0.323 0.000 0.233 401 G C 0.862 175.767 174.900 0.007 0.000 1.006 401 G CA 0.178 45.283 45.100 0.009 0.000 0.620 401 G HN 1.544 nan 8.290 nan 0.000 0.511 402 A N 0.550 123.373 122.820 0.007 0.000 2.445 402 A HA 0.566 5.080 4.320 0.323 0.000 0.242 402 A C 0.711 178.298 177.584 0.005 0.000 1.075 402 A CA 1.048 53.088 52.037 0.005 0.000 0.777 402 A CB 0.226 19.229 19.000 0.005 0.000 1.013 402 A HN 1.226 nan 8.150 nan 0.000 0.493 403 K N 1.567 121.969 120.400 0.004 0.000 2.447 403 K HA 0.354 4.868 4.320 0.323 0.000 0.281 403 K C 0.377 176.979 176.600 0.003 0.000 1.031 403 K CA 0.783 57.072 56.287 0.004 0.000 1.019 403 K CB 0.110 32.612 32.500 0.003 0.000 0.918 403 K HN 0.768 nan 8.250 nan 0.000 0.476 404 G N 1.973 110.775 108.800 0.003 0.000 2.685 404 G HA2 0.482 4.636 3.960 0.323 0.000 0.298 404 G HA3 0.482 4.636 3.960 0.323 0.000 0.298 404 G C -1.201 173.700 174.900 0.002 0.000 1.277 404 G CA -0.702 44.400 45.100 0.003 0.000 0.986 404 G HN 0.562 nan 8.290 nan 0.000 0.487 405 T N -0.191 114.363 114.554 0.001 0.000 2.885 405 T HA 0.451 4.995 4.350 0.323 0.000 0.285 405 T C -0.176 174.524 174.700 -0.001 0.000 1.019 405 T CA -0.252 61.848 62.100 0.000 0.000 1.010 405 T CB 1.822 70.689 68.868 -0.001 0.000 1.022 405 T HN 0.294 nan 8.240 nan 0.000 0.466 406 V N 4.993 124.907 119.914 -0.000 0.000 2.427 406 V HA 0.324 4.638 4.120 0.323 0.000 0.268 406 V C 0.347 176.439 176.094 -0.004 0.000 1.046 406 V CA -0.208 62.091 62.300 -0.001 0.000 0.970 406 V CB -0.473 31.351 31.823 0.001 0.000 1.001 406 V HN 0.643 nan 8.190 nan 0.000 0.476 407 I N 2.679 123.244 120.570 -0.007 0.000 2.863 407 I HA 0.668 5.032 4.170 0.323 0.000 0.311 407 I C -0.221 175.886 176.117 -0.017 0.000 1.026 407 I CA -1.077 60.216 61.300 -0.012 0.000 1.077 407 I CB 1.666 39.658 38.000 -0.013 0.000 1.262 407 I HN 0.305 nan 8.210 nan 0.000 0.461 408 K N 2.787 123.175 120.400 -0.020 0.000 2.185 408 K HA 0.649 5.163 4.320 0.323 0.000 0.269 408 K C -1.360 175.217 176.600 -0.039 0.000 0.987 408 K CA -0.760 55.511 56.287 -0.028 0.000 0.865 408 K CB 2.341 34.828 32.500 -0.021 0.000 1.090 408 K HN 0.453 nan 8.250 nan 0.000 0.450 409 V N 5.028 124.907 119.914 -0.059 0.000 2.376 409 V HA 0.238 4.552 4.120 0.323 0.000 0.287 409 V C -2.371 173.672 176.094 -0.086 0.000 1.015 409 V CA -2.308 59.953 62.300 -0.067 0.000 0.834 409 V CB 1.317 33.096 31.823 -0.073 0.000 1.001 409 V HN 0.661 nan 8.190 nan 0.000 0.428 410 P HA 0.232 nan 4.420 nan 0.000 0.268 410 P C -0.510 176.733 177.300 -0.094 0.000 1.205 410 P CA 0.001 63.056 63.100 -0.074 0.000 0.771 410 P CB 0.613 32.283 31.700 -0.049 0.000 0.858 411 L N 2.701 123.852 121.223 -0.120 0.000 2.357 411 L HA 0.345 4.879 4.340 0.323 0.000 0.273 411 L C 1.063 177.865 176.870 -0.115 0.000 1.080 411 L CA -0.788 53.971 54.840 -0.134 0.000 0.803 411 L CB 0.596 42.545 42.059 -0.183 0.000 1.174 411 L HN 0.295 nan 8.230 nan 0.000 0.443 412 K N 0.703 121.047 120.400 -0.093 0.000 2.187 412 K HA 0.089 4.603 4.320 0.323 0.000 0.247 412 K C 1.058 177.596 176.600 -0.104 0.000 1.019 412 K CA -0.580 55.664 56.287 -0.072 0.000 0.893 412 K CB 0.856 33.328 32.500 -0.046 0.000 1.025 412 K HN 0.312 nan 8.250 nan 0.000 0.500 413 V N 1.590 121.470 119.914 -0.056 0.000 2.282 413 V HA -0.276 4.037 4.120 0.323 0.000 0.249 413 V C 1.756 177.829 176.094 -0.035 0.000 1.057 413 V CA 1.956 64.238 62.300 -0.029 0.000 1.032 413 V CB -0.652 31.214 31.823 0.071 0.000 0.645 413 V HN 0.686 nan 8.190 nan 0.000 0.447 414 E N 0.019 120.212 120.200 -0.011 0.000 2.110 414 E HA -0.217 4.327 4.350 0.323 0.000 0.193 414 E C 2.254 178.842 176.600 -0.020 0.000 0.988 414 E CA 1.165 57.568 56.400 0.005 0.000 0.804 414 E CB -0.345 29.358 29.700 0.006 0.000 0.745 414 E HN 0.673 nan 8.360 nan 0.000 0.458 415 Q N -0.207 119.559 119.800 -0.057 0.000 2.167 415 Q HA 0.007 4.541 4.340 0.323 0.000 0.202 415 Q C 2.110 178.046 176.000 -0.106 0.000 0.970 415 Q CA 1.189 56.954 55.803 -0.063 0.000 0.855 415 Q CB -0.082 28.609 28.738 -0.077 0.000 0.911 415 Q HN 0.315 nan 8.270 nan 0.000 0.438 416 A N 1.262 123.929 122.820 -0.255 0.000 1.897 416 A HA -0.181 4.332 4.320 0.323 0.000 0.215 416 A C 1.612 179.021 177.584 -0.292 0.000 1.181 416 A CA 1.399 53.105 52.037 -0.551 0.000 0.620 416 A CB -0.606 17.571 19.000 -1.372 0.000 0.821 416 A HN 0.389 nan 8.150 nan 0.000 0.443 417 N N 0.255 118.947 118.700 -0.013 0.000 2.061 417 N HA -0.217 4.717 4.740 0.323 0.000 0.193 417 N C 1.535 177.146 175.510 0.169 0.000 1.030 417 N CA 1.717 54.913 53.050 0.244 0.000 0.856 417 N CB -0.365 38.241 38.487 0.200 0.000 1.023 417 N HN 0.667 nan 8.380 nan 0.000 0.424 418 N N 0.477 119.230 118.700 0.090 0.000 2.166 418 N HA -0.086 4.848 4.740 0.323 0.000 0.186 418 N C 1.787 177.362 175.510 0.108 0.000 1.019 418 N CA 0.813 53.916 53.050 0.088 0.000 0.856 418 N CB -0.064 38.457 38.487 0.056 0.000 0.993 418 N HN 0.239 nan 8.380 nan 0.000 0.426 419 A N 1.728 124.610 122.820 0.103 0.000 1.929 419 A HA -0.104 4.410 4.320 0.323 0.000 0.216 419 A C 2.165 179.831 177.584 0.138 0.000 1.176 419 A CA 0.839 52.948 52.037 0.121 0.000 0.628 419 A CB -0.367 18.733 19.000 0.166 0.000 0.816 419 A HN 0.151 nan 8.150 nan 0.000 0.444 420 R N 0.186 120.808 120.500 0.202 0.000 2.073 420 R HA -0.164 4.370 4.340 0.323 0.000 0.234 420 R C 1.132 177.603 176.300 0.285 0.000 1.134 420 R CA 2.097 58.359 56.100 0.270 0.000 0.952 420 R CB -0.637 29.887 30.300 0.373 0.000 0.850 420 R HN 0.421 nan 8.270 nan 0.000 0.433 421 D N 0.659 121.221 120.400 0.271 0.000 2.144 421 D HA -0.083 4.751 4.640 0.323 0.000 0.200 421 D C 1.809 178.191 176.300 0.138 0.000 0.978 421 D CA 1.480 55.610 54.000 0.217 0.000 0.833 421 D CB -0.334 40.566 40.800 0.165 0.000 0.961 421 D HN 0.371 nan 8.370 nan 0.000 0.470 422 A N 0.807 123.705 122.820 0.129 0.000 1.908 422 A HA -0.152 4.362 4.320 0.323 0.000 0.218 422 A C 2.140 179.806 177.584 0.137 0.000 1.181 422 A CA 1.113 53.220 52.037 0.115 0.000 0.627 422 A CB -0.700 18.357 19.000 0.094 0.000 0.818 422 A HN 0.252 nan 8.150 nan 0.000 0.445 423 L N -0.343 120.966 121.223 0.142 0.000 2.056 423 L HA 0.016 4.550 4.340 0.323 0.000 0.207 423 L C 2.659 179.663 176.870 0.225 0.000 1.078 423 L CA 2.095 57.032 54.840 0.162 0.000 0.749 423 L CB -0.923 41.214 42.059 0.131 0.000 0.901 423 L HN 0.341 nan 8.230 nan 0.000 0.433 424 A N -0.171 122.794 122.820 0.242 0.000 1.873 424 A HA -0.292 4.221 4.320 0.323 0.000 0.218 424 A C 2.332 180.052 177.584 0.226 0.000 1.193 424 A CA 2.365 54.562 52.037 0.266 0.000 0.629 424 A CB -0.627 18.515 19.000 0.237 0.000 0.826 424 A HN 0.537 nan 8.150 nan 0.000 0.447 425 K N -0.944 119.550 120.400 0.157 0.000 2.057 425 K HA -0.133 4.380 4.320 0.323 0.000 0.207 425 K C 2.333 179.075 176.600 0.235 0.000 1.049 425 K CA 1.854 58.243 56.287 0.170 0.000 0.931 425 K CB -0.445 32.126 32.500 0.118 0.000 0.714 425 K HN 0.741 nan 8.250 nan 0.000 0.440 426 T N -0.897 113.807 114.554 0.250 0.000 2.857 426 T HA -0.057 4.487 4.350 0.323 0.000 0.266 426 T C 2.052 176.958 174.700 0.342 0.000 1.048 426 T CA 0.918 63.209 62.100 0.318 0.000 1.139 426 T CB -0.348 68.726 68.868 0.343 0.000 0.874 426 T HN -0.076 nan 8.240 nan 0.000 0.455 427 V N 0.404 120.513 119.914 0.326 0.000 2.261 427 V HA -0.083 4.231 4.120 0.323 0.000 0.246 427 V C 2.294 178.513 176.094 0.208 0.000 1.047 427 V CA 2.041 64.506 62.300 0.276 0.000 1.015 427 V CB -0.990 31.035 31.823 0.337 0.000 0.642 427 V HN 0.575 nan 8.190 nan 0.000 0.446 428 Y N 0.733 121.143 120.300 0.183 0.000 2.181 428 Y HA -0.267 4.468 4.550 0.308 0.000 0.288 428 Y C 2.951 178.914 175.900 0.105 0.000 1.146 428 Y CA 2.003 60.205 58.100 0.169 0.000 1.164 428 Y CB -0.331 38.255 38.460 0.210 0.000 0.982 428 Y HN 0.241 nan 8.280 nan 0.000 0.515 429 S N -1.046 114.792 115.700 0.229 0.000 2.368 429 S HA -0.257 4.407 4.470 0.323 0.000 0.225 429 S C 1.741 176.290 174.600 -0.083 0.000 1.030 429 S CA 1.859 60.114 58.200 0.092 0.000 0.999 429 S CB -0.548 62.700 63.200 0.078 0.000 0.844 429 S HN 0.706 nan 8.310 nan 0.000 0.459 430 H N 0.187 119.159 119.070 -0.163 0.000 2.389 430 H HA 0.065 4.815 4.556 0.324 0.000 0.299 430 H C 1.897 177.042 175.328 -0.305 0.000 1.081 430 H CA 1.433 57.293 56.048 -0.314 0.000 1.345 430 H CB -0.298 29.072 29.762 -0.653 0.000 1.393 430 H HN 0.259 nan 8.280 nan 0.000 0.520 431 L N -0.321 120.791 121.223 -0.184 0.000 2.012 431 L HA -0.162 4.372 4.340 0.323 0.000 0.210 431 L C 2.040 178.697 176.870 -0.356 0.000 1.073 431 L CA 1.437 56.122 54.840 -0.258 0.000 0.748 431 L CB -0.826 41.075 42.059 -0.264 0.000 0.891 431 L HN 0.201 nan 8.230 nan 0.000 0.431 432 F N 0.772 120.397 119.950 -0.541 0.000 2.091 432 F HA -0.279 4.387 4.527 0.232 0.000 0.299 432 F C 2.243 177.717 175.800 -0.543 0.000 1.103 432 F CA 2.102 59.767 58.000 -0.559 0.000 1.228 432 F CB -0.596 38.127 39.000 -0.462 0.000 0.984 432 F HN 0.241 nan 8.300 nan 0.000 0.477 433 D N -1.189 118.949 120.400 -0.436 0.000 2.158 433 D HA -0.256 4.577 4.640 0.323 0.000 0.197 433 D C 2.078 178.084 176.300 -0.490 0.000 0.995 433 D CA 1.909 55.628 54.000 -0.469 0.000 0.846 433 D CB -0.714 39.955 40.800 -0.217 0.000 0.941 433 D HN 0.512 nan 8.370 nan 0.000 0.456 434 H N 0.433 119.217 119.070 -0.477 0.000 2.326 434 H HA -0.044 4.706 4.556 0.323 0.000 0.301 434 H C 1.969 177.001 175.328 -0.492 0.000 1.081 434 H CA 1.464 57.254 56.048 -0.429 0.000 1.334 434 H CB -0.247 29.281 29.762 -0.390 0.000 1.385 434 H HN -0.089 nan 8.280 nan 0.000 0.504 435 V N -0.048 119.454 119.914 -0.687 0.000 2.332 435 V HA -0.251 4.063 4.120 0.323 0.000 0.248 435 V C 2.547 178.199 176.094 -0.736 0.000 1.055 435 V CA 1.603 63.454 62.300 -0.748 0.000 1.038 435 V CB -0.529 30.785 31.823 -0.848 0.000 0.651 435 V HN 0.367 nan 8.190 nan 0.000 0.450 436 V N 0.543 119.919 119.914 -0.895 0.000 2.358 436 V HA -0.255 4.059 4.120 0.323 0.000 0.246 436 V C 2.329 178.043 176.094 -0.632 0.000 1.047 436 V CA 2.265 64.077 62.300 -0.814 0.000 1.035 436 V CB -0.969 30.181 31.823 -1.121 0.000 0.658 436 V HN 0.697 nan 8.190 nan 0.000 0.452 437 N N 0.535 118.880 118.700 -0.592 0.000 2.104 437 N HA -0.266 4.667 4.740 0.323 0.000 0.190 437 N C 2.082 177.302 175.510 -0.483 0.000 1.024 437 N CA 1.701 54.471 53.050 -0.467 0.000 0.853 437 N CB -0.006 38.259 38.487 -0.371 0.000 1.008 437 N HN 0.287 nan 8.380 nan 0.000 0.424 438 R N 0.940 121.097 120.500 -0.572 0.000 2.081 438 R HA 0.003 4.537 4.340 0.323 0.000 0.235 438 R C 2.208 178.237 176.300 -0.450 0.000 1.131 438 R CA 1.024 56.819 56.100 -0.509 0.000 0.960 438 R CB -0.798 29.148 30.300 -0.590 0.000 0.856 438 R HN 0.071 nan 8.270 nan 0.000 0.436 439 V N 1.490 121.131 119.914 -0.455 0.000 2.343 439 V HA -0.252 4.062 4.120 0.323 0.000 0.247 439 V C 1.698 177.393 176.094 -0.666 0.000 1.051 439 V CA 2.103 64.156 62.300 -0.411 0.000 1.036 439 V CB -0.615 31.046 31.823 -0.271 0.000 0.654 439 V HN 0.407 nan 8.190 nan 0.000 0.451 440 N N 0.117 118.436 118.700 -0.635 0.000 2.289 440 N HA -0.165 4.769 4.740 0.323 0.000 0.184 440 N C 1.682 176.757 175.510 -0.724 0.000 1.016 440 N CA 0.919 53.526 53.050 -0.738 0.000 0.872 440 N CB -0.304 37.841 38.487 -0.570 0.000 0.973 440 N HN 0.613 nan 8.380 nan 0.000 0.433 441 Q N -0.674 118.795 119.800 -0.551 0.000 2.491 441 Q HA 0.067 4.601 4.340 0.323 0.000 0.214 441 Q C 0.647 176.390 176.000 -0.427 0.000 0.970 441 Q CA 0.143 55.700 55.803 -0.410 0.000 0.960 441 Q CB -0.044 28.509 28.738 -0.308 0.000 0.996 441 Q HN 0.386 nan 8.270 nan 0.000 0.524 442 C N -0.633 118.251 119.300 -0.694 0.000 3.183 442 C HA 0.196 4.850 4.460 0.323 0.000 0.285 442 C C 0.130 174.923 174.990 -0.328 0.000 1.313 442 C CA -0.484 58.230 59.018 -0.507 0.000 1.711 442 C CB -0.340 27.131 27.740 -0.450 0.000 2.135 442 C HN 0.519 nan 8.230 nan 0.000 0.651 443 F N -0.273 119.665 119.950 -0.020 0.000 2.526 443 F HA 0.368 5.078 4.527 0.304 0.000 0.379 443 F C -2.739 173.125 175.800 0.107 0.000 1.506 443 F CA -2.366 55.657 58.000 0.040 0.000 1.076 443 F CB -1.187 37.842 39.000 0.048 0.000 1.746 443 F HN -0.171 nan 8.300 nan 0.000 0.520 444 P HA 0.367 nan 4.420 nan 0.000 0.272 444 P C -0.800 176.563 177.300 0.106 0.000 1.240 444 P CA 0.121 63.189 63.100 -0.052 0.000 0.791 444 P CB 1.176 32.783 31.700 -0.154 0.000 0.978 445 F N -2.814 117.131 119.950 -0.008 0.000 2.591 445 F HA 0.516 5.234 4.527 0.319 0.000 0.309 445 F C 1.076 176.851 175.800 -0.041 0.000 1.098 445 F CA -1.115 56.874 58.000 -0.019 0.000 0.937 445 F CB 0.858 39.847 39.000 -0.018 0.000 1.250 445 F HN 0.192 nan 8.300 nan 0.000 0.447 446 E N 0.704 120.968 120.200 0.107 0.000 2.031 446 E HA 0.017 4.561 4.350 0.323 0.000 0.193 446 E C 0.380 177.026 176.600 0.077 0.000 0.994 446 E CA 2.167 58.585 56.400 0.030 0.000 0.800 446 E CB 0.092 29.813 29.700 0.035 0.000 0.752 446 E HN 0.825 nan 8.360 nan 0.000 0.447 447 T N -2.518 112.156 114.554 0.199 0.000 2.754 447 T HA 0.589 5.133 4.350 0.323 0.000 0.296 447 T C -0.734 174.110 174.700 0.240 0.000 1.205 447 T CA -0.642 61.577 62.100 0.199 0.000 1.009 447 T CB 1.969 70.886 68.868 0.081 0.000 1.368 447 T HN 0.137 nan 8.240 nan 0.000 0.509 448 S N -0.947 114.841 115.700 0.146 0.000 2.565 448 S HA 0.583 5.247 4.470 0.323 0.000 0.274 448 S C 0.123 174.717 174.600 -0.010 0.000 1.144 448 S CA -0.492 57.743 58.200 0.058 0.000 0.849 448 S CB 1.320 64.558 63.200 0.063 0.000 1.103 448 S HN 0.649 nan 8.310 nan 0.000 0.455 449 S N 0.135 115.708 115.700 -0.211 0.000 2.468 449 S HA 0.394 5.057 4.470 0.323 0.000 0.226 449 S C -0.615 173.601 174.600 -0.640 0.000 1.051 449 S CA 0.507 58.370 58.200 -0.561 0.000 0.943 449 S CB -0.325 62.233 63.200 -1.070 0.000 0.810 449 S HN 0.752 nan 8.310 nan 0.000 0.509 450 Y N -0.209 120.148 120.300 0.096 0.000 2.670 450 Y HA 0.645 5.388 4.550 0.322 0.000 0.334 450 Y C -0.811 175.122 175.900 0.054 0.000 1.185 450 Y CA -2.368 55.723 58.100 -0.016 0.000 1.053 450 Y CB 0.757 39.111 38.460 -0.177 0.000 1.298 450 Y HN 0.098 nan 8.280 nan 0.000 0.459 451 F N -0.827 119.171 119.950 0.080 0.000 2.613 451 F HA 0.909 5.633 4.527 0.328 0.000 0.314 451 F C -1.680 174.132 175.800 0.021 0.000 1.075 451 F CA -1.662 56.278 58.000 -0.100 0.000 0.945 451 F CB 1.599 40.217 39.000 -0.637 0.000 1.310 451 F HN 0.303 nan 8.300 nan 0.000 0.467 452 I N 2.030 122.805 120.570 0.342 0.000 2.389 452 I HA 0.616 4.980 4.170 0.323 0.000 0.288 452 I C 0.014 176.255 176.117 0.207 0.000 0.999 452 I CA -0.811 60.631 61.300 0.237 0.000 1.129 452 I CB 1.618 39.736 38.000 0.196 0.000 1.288 452 I HN 0.953 nan 8.210 nan 0.000 0.444 453 G N 5.189 114.073 108.800 0.141 0.000 2.448 453 G HA2 0.641 4.795 3.960 0.323 0.000 0.324 453 G HA3 0.641 4.795 3.960 0.323 0.000 0.324 453 G C -1.044 173.626 174.900 -0.384 0.000 1.203 453 G CA -0.447 44.342 45.100 -0.518 0.000 0.954 453 G HN 0.304 nan 8.290 nan 0.000 0.480 454 V N 2.369 122.039 119.914 -0.407 0.000 2.370 454 V HA 0.369 4.683 4.120 0.323 0.000 0.283 454 V C -0.160 175.960 176.094 0.043 0.000 1.023 454 V CA -0.766 61.481 62.300 -0.088 0.000 0.857 454 V CB 1.134 32.933 31.823 -0.041 0.000 0.985 454 V HN 0.661 nan 8.190 nan 0.000 0.443 455 L N 4.482 125.882 121.223 0.295 0.000 2.312 455 L HA 0.579 5.113 4.340 0.323 0.000 0.281 455 L C -0.209 176.748 176.870 0.145 0.000 1.070 455 L CA 0.613 55.663 54.840 0.349 0.000 0.805 455 L CB 1.160 43.386 42.059 0.278 0.000 1.174 455 L HN 0.752 nan 8.230 nan 0.000 0.434 456 D N 6.120 126.585 120.400 0.109 0.000 2.620 456 D HA 0.386 5.220 4.640 0.323 0.000 0.252 456 D C -1.493 174.809 176.300 0.004 0.000 1.207 456 D CA -0.250 53.770 54.000 0.034 0.000 0.884 456 D CB 1.521 42.316 40.800 -0.009 0.000 1.262 456 D HN 0.602 nan 8.370 nan 0.000 0.552 457 I N 1.769 122.347 120.570 0.013 0.000 2.827 457 I HA 0.457 4.821 4.170 0.323 0.000 0.298 457 I C -0.699 175.442 176.117 0.042 0.000 1.235 457 I CA -0.685 60.624 61.300 0.016 0.000 1.021 457 I CB 2.018 40.033 38.000 0.026 0.000 1.259 457 I HN 0.466 nan 8.210 nan 0.000 0.427 458 A N 4.486 127.339 122.820 0.056 0.000 2.566 458 A HA 0.446 4.960 4.320 0.323 0.000 0.245 458 A C 0.535 178.182 177.584 0.106 0.000 1.056 458 A CA 0.780 52.864 52.037 0.079 0.000 0.757 458 A CB -0.456 18.602 19.000 0.096 0.000 0.979 458 A HN 0.914 nan 8.150 nan 0.000 0.508 459 G N 0.669 109.538 108.800 0.115 0.000 2.588 459 G HA2 0.446 4.600 3.960 0.323 0.000 0.281 459 G HA3 0.446 4.600 3.960 0.323 0.000 0.281 459 G C -0.104 174.919 174.900 0.206 0.000 1.236 459 G CA -0.728 44.477 45.100 0.176 0.000 0.969 459 G HN 0.827 nan 8.290 nan 0.000 0.504 460 F N 0.892 120.924 119.950 0.137 0.000 2.607 460 F HA 0.332 5.053 4.527 0.322 0.000 0.374 460 F C 0.721 176.525 175.800 0.006 0.000 1.104 460 F CA 0.143 58.199 58.000 0.095 0.000 1.296 460 F CB 0.484 39.565 39.000 0.136 0.000 1.085 460 F HN 0.623 nan 8.300 nan 0.000 0.584 461 E N 5.285 125.080 120.200 -0.674 0.000 2.412 461 E HA 0.524 5.068 4.350 0.323 0.000 0.279 461 E C -2.007 174.194 176.600 -0.666 0.000 0.984 461 E CA -1.035 55.012 56.400 -0.587 0.000 0.788 461 E CB 2.131 31.628 29.700 -0.340 0.000 1.277 461 E HN 0.625 nan 8.360 nan 0.000 0.455 462 Y N -0.496 119.363 120.300 -0.735 0.000 2.581 462 Y HA 0.762 5.507 4.550 0.324 0.000 0.337 462 Y C -1.810 173.631 175.900 -0.764 0.000 1.108 462 Y CA -1.366 56.399 58.100 -0.557 0.000 1.033 462 Y CB 1.104 39.338 38.460 -0.376 0.000 1.318 462 Y HN 0.508 nan 8.280 nan 0.000 0.459 463 F N 0.135 120.124 119.950 0.065 0.000 2.764 463 F HA 0.496 5.215 4.527 0.320 0.000 0.347 463 F C 1.401 177.244 175.800 0.071 0.000 1.151 463 F CA -1.121 56.898 58.000 0.032 0.000 1.021 463 F CB 1.328 40.339 39.000 0.019 0.000 1.438 463 F HN 0.634 nan 8.300 nan 0.000 0.516 464 E N -0.711 119.609 120.200 0.200 0.000 2.097 464 E HA -0.183 4.360 4.350 0.323 0.000 0.196 464 E C -0.435 176.030 176.600 -0.225 0.000 1.000 464 E CA 1.534 57.901 56.400 -0.056 0.000 0.804 464 E CB -0.159 29.429 29.700 -0.186 0.000 0.740 464 E HN 0.435 nan 8.360 nan 0.000 0.454 465 H N -0.137 119.049 119.070 0.194 0.000 2.587 465 H HA 0.299 5.048 4.556 0.322 0.000 0.325 465 H C -0.735 174.696 175.328 0.171 0.000 1.012 465 H CA -0.700 55.435 56.048 0.145 0.000 1.213 465 H CB 0.840 30.653 29.762 0.084 0.000 1.431 465 H HN -0.060 nan 8.280 nan 0.000 0.492 466 N N 1.825 120.676 118.700 0.252 0.000 2.392 466 N HA 0.258 5.192 4.740 0.323 0.000 0.283 466 N C -0.507 175.238 175.510 0.392 0.000 1.003 466 N CA -0.245 52.971 53.050 0.277 0.000 0.892 466 N CB 2.438 40.965 38.487 0.066 0.000 1.193 466 N HN 0.468 nan 8.380 nan 0.000 0.487 467 S N 0.686 116.626 115.700 0.400 0.000 2.786 467 S HA 0.383 5.047 4.470 0.323 0.000 0.302 467 S C 0.875 175.715 174.600 0.400 0.000 1.080 467 S CA -0.496 57.977 58.200 0.455 0.000 0.925 467 S CB 0.321 63.686 63.200 0.275 0.000 1.325 467 S HN 0.404 nan 8.310 nan 0.000 0.576 468 F N 1.876 121.726 119.950 -0.166 0.000 2.216 468 F HA 0.027 4.748 4.527 0.323 0.000 0.300 468 F C 1.959 177.653 175.800 -0.176 0.000 1.085 468 F CA 2.041 59.682 58.000 -0.599 0.000 1.326 468 F CB -0.514 37.973 39.000 -0.856 0.000 1.027 468 F HN 0.596 nan 8.300 nan 0.000 0.497 469 E N 0.065 120.237 120.200 -0.046 0.000 2.058 469 E HA -0.261 4.283 4.350 0.323 0.000 0.194 469 E C 2.103 178.676 176.600 -0.045 0.000 0.997 469 E CA 1.771 58.121 56.400 -0.083 0.000 0.801 469 E CB -0.385 29.319 29.700 0.007 0.000 0.746 469 E HN 0.383 nan 8.360 nan 0.000 0.450 470 Q N -0.614 119.260 119.800 0.123 0.000 2.119 470 Q HA -0.061 4.473 4.340 0.323 0.000 0.201 470 Q C 1.880 178.029 176.000 0.249 0.000 0.972 470 Q CA 1.064 57.000 55.803 0.222 0.000 0.847 470 Q CB -0.394 28.566 28.738 0.371 0.000 0.903 470 Q HN 0.337 nan 8.270 nan 0.000 0.433 471 F N -0.202 119.795 119.950 0.080 0.000 2.095 471 F HA -0.308 4.413 4.527 0.322 0.000 0.298 471 F C 1.857 177.525 175.800 -0.220 0.000 1.104 471 F CA 1.396 59.292 58.000 -0.174 0.000 1.232 471 F CB -0.221 38.560 39.000 -0.365 0.000 0.987 471 F HN 0.082 nan 8.300 nan 0.000 0.475 472 C N 0.502 119.540 119.300 -0.436 0.000 2.453 472 C HA -0.121 4.533 4.460 0.323 0.000 0.277 472 C C 2.707 177.464 174.990 -0.388 0.000 1.262 472 C CA 0.927 59.490 59.018 -0.759 0.000 1.718 472 C CB -1.256 25.584 27.740 -1.501 0.000 2.031 472 C HN 0.520 nan 8.230 nan 0.000 0.480 473 I N 1.826 122.287 120.570 -0.181 0.000 2.163 473 I HA -0.228 4.136 4.170 0.323 0.000 0.243 473 I C 2.113 178.279 176.117 0.082 0.000 1.085 473 I CA 1.564 62.891 61.300 0.045 0.000 1.347 473 I CB -0.520 37.512 38.000 0.055 0.000 1.044 473 I HN 0.398 nan 8.210 nan 0.000 0.408 474 N N -0.158 118.555 118.700 0.021 0.000 2.270 474 N HA -0.200 4.734 4.740 0.323 0.000 0.181 474 N C 1.724 177.336 175.510 0.169 0.000 1.016 474 N CA 0.940 54.015 53.050 0.041 0.000 0.870 474 N CB -0.494 37.840 38.487 -0.255 0.000 0.979 474 N HN 0.397 nan 8.380 nan 0.000 0.431 475 Y N 1.656 121.927 120.300 -0.048 0.000 2.097 475 Y HA -0.245 4.500 4.550 0.324 0.000 0.282 475 Y C 2.639 178.625 175.900 0.144 0.000 1.152 475 Y CA 1.085 59.184 58.100 -0.001 0.000 1.136 475 Y CB -1.069 37.260 38.460 -0.219 0.000 0.975 475 Y HN 0.183 nan 8.280 nan 0.000 0.498 476 C N 1.853 121.130 119.300 -0.038 0.000 2.393 476 C HA -0.239 4.415 4.460 0.323 0.000 0.276 476 C C 2.609 177.594 174.990 -0.007 0.000 1.215 476 C CA 2.143 61.110 59.018 -0.085 0.000 1.743 476 C CB -1.590 26.234 27.740 0.139 0.000 2.044 476 C HN 0.718 nan 8.230 nan 0.000 0.464 477 N N 0.374 119.155 118.700 0.135 0.000 2.244 477 N HA -0.148 4.786 4.740 0.323 0.000 0.183 477 N C 1.692 177.274 175.510 0.119 0.000 1.016 477 N CA 1.547 54.710 53.050 0.188 0.000 0.866 477 N CB -0.505 38.228 38.487 0.411 0.000 0.980 477 N HN 0.678 nan 8.380 nan 0.000 0.430 478 E N 1.662 122.025 120.200 0.272 0.000 2.085 478 E HA -0.108 4.436 4.350 0.323 0.000 0.194 478 E C 1.671 178.321 176.600 0.082 0.000 0.994 478 E CA 1.364 57.919 56.400 0.258 0.000 0.801 478 E CB 0.097 30.066 29.700 0.447 0.000 0.743 478 E HN 0.241 nan 8.360 nan 0.000 0.453 479 K N -0.374 120.054 120.400 0.047 0.000 2.103 479 K HA -0.034 4.480 4.320 0.323 0.000 0.204 479 K C 2.193 178.809 176.600 0.027 0.000 1.052 479 K CA 1.020 57.318 56.287 0.019 0.000 0.945 479 K CB -0.101 32.349 32.500 -0.083 0.000 0.722 479 K HN 0.202 nan 8.250 nan 0.000 0.443 480 L N 0.713 121.931 121.223 -0.009 0.000 2.141 480 L HA -0.181 4.352 4.340 0.323 0.000 0.209 480 L C 2.616 179.545 176.870 0.098 0.000 1.094 480 L CA 0.917 55.788 54.840 0.052 0.000 0.763 480 L CB -0.270 41.797 42.059 0.013 0.000 0.908 480 L HN 0.154 nan 8.230 nan 0.000 0.437 481 Q N 0.313 120.048 119.800 -0.107 0.000 2.119 481 Q HA -0.251 4.283 4.340 0.323 0.000 0.201 481 Q C 2.156 178.132 176.000 -0.041 0.000 0.972 481 Q CA 1.621 57.295 55.803 -0.215 0.000 0.847 481 Q CB -0.141 28.068 28.738 -0.881 0.000 0.903 481 Q HN 0.437 nan 8.270 nan 0.000 0.433 482 Q N -1.141 118.678 119.800 0.031 0.000 2.084 482 Q HA -0.189 4.345 4.340 0.323 0.000 0.202 482 Q C 1.848 177.935 176.000 0.145 0.000 0.978 482 Q CA 1.519 57.388 55.803 0.109 0.000 0.844 482 Q CB -0.312 28.511 28.738 0.141 0.000 0.898 482 Q HN 0.512 nan 8.270 nan 0.000 0.426 483 F N 0.523 120.507 119.950 0.058 0.000 2.102 483 F HA -0.223 4.499 4.527 0.325 0.000 0.298 483 F C 1.895 177.798 175.800 0.171 0.000 1.105 483 F CA 1.693 59.752 58.000 0.098 0.000 1.239 483 F CB -0.590 38.465 39.000 0.091 0.000 0.991 483 F HN 0.204 nan 8.300 nan 0.000 0.474 484 F N 1.120 121.043 119.950 -0.045 0.000 2.065 484 F HA -0.342 4.381 4.527 0.326 0.000 0.298 484 F C 2.184 177.716 175.800 -0.445 0.000 1.112 484 F CA 2.055 59.788 58.000 -0.445 0.000 1.212 484 F CB -0.607 38.135 39.000 -0.430 0.000 0.975 484 F HN 0.056 nan 8.300 nan 0.000 0.476 485 N N 0.086 118.632 118.700 -0.255 0.000 2.069 485 N HA -0.237 4.697 4.740 0.323 0.000 0.191 485 N C 1.528 176.875 175.510 -0.272 0.000 1.031 485 N CA 1.623 54.511 53.050 -0.270 0.000 0.852 485 N CB -0.241 38.239 38.487 -0.011 0.000 1.018 485 N HN 0.446 nan 8.380 nan 0.000 0.423 486 E N 0.528 120.580 120.200 -0.247 0.000 2.058 486 E HA -0.138 4.406 4.350 0.323 0.000 0.194 486 E C 2.026 178.447 176.600 -0.299 0.000 0.997 486 E CA 0.852 57.063 56.400 -0.316 0.000 0.801 486 E CB 0.135 29.701 29.700 -0.223 0.000 0.746 486 E HN 0.246 nan 8.360 nan 0.000 0.450 487 R N 0.383 120.701 120.500 -0.303 0.000 2.092 487 R HA -0.082 4.452 4.340 0.323 0.000 0.231 487 R C 2.224 178.450 176.300 -0.124 0.000 1.119 487 R CA 0.777 56.759 56.100 -0.196 0.000 0.970 487 R CB -0.521 29.710 30.300 -0.115 0.000 0.864 487 R HN 0.244 nan 8.270 nan 0.000 0.440 488 I N 0.912 121.374 120.570 -0.180 0.000 2.252 488 I HA -0.199 4.164 4.170 0.323 0.000 0.245 488 I C 2.370 178.370 176.117 -0.194 0.000 1.102 488 I CA 0.655 61.849 61.300 -0.177 0.000 1.385 488 I CB -1.178 36.648 38.000 -0.290 0.000 1.064 488 I HN 0.067 nan 8.210 nan 0.000 0.414 489 L N 1.329 122.406 121.223 -0.243 0.000 1.989 489 L HA -0.236 4.298 4.340 0.323 0.000 0.211 489 L C 2.614 179.342 176.870 -0.236 0.000 1.071 489 L CA 2.077 56.764 54.840 -0.254 0.000 0.749 489 L CB -0.804 41.028 42.059 -0.379 0.000 0.890 489 L HN 0.164 nan 8.230 nan 0.000 0.431 490 K N -0.556 119.712 120.400 -0.221 0.000 2.032 490 K HA -0.235 4.278 4.320 0.323 0.000 0.209 490 K C 1.985 178.478 176.600 -0.178 0.000 1.048 490 K CA 2.013 58.189 56.287 -0.184 0.000 0.927 490 K CB -0.221 32.184 32.500 -0.157 0.000 0.712 490 K HN 0.508 nan 8.250 nan 0.000 0.441 491 E N 0.092 120.200 120.200 -0.154 0.000 2.085 491 E HA -0.196 4.348 4.350 0.323 0.000 0.194 491 E C 2.065 178.530 176.600 -0.225 0.000 0.994 491 E CA 1.189 57.504 56.400 -0.142 0.000 0.801 491 E CB 0.074 29.728 29.700 -0.078 0.000 0.743 491 E HN 0.340 nan 8.360 nan 0.000 0.453 492 E N 0.501 120.521 120.200 -0.299 0.000 2.046 492 E HA -0.152 4.391 4.350 0.323 0.000 0.190 492 E C 2.179 178.213 176.600 -0.944 0.000 0.982 492 E CA 0.665 56.727 56.400 -0.564 0.000 0.800 492 E CB -0.101 29.339 29.700 -0.433 0.000 0.756 492 E HN 0.244 nan 8.360 nan 0.000 0.449 493 Q N 0.930 120.396 119.800 -0.556 0.000 2.077 493 Q HA -0.194 4.339 4.340 0.323 0.000 0.206 493 Q C 2.039 177.868 176.000 -0.285 0.000 0.989 493 Q CA 1.408 56.993 55.803 -0.363 0.000 0.853 493 Q CB -0.357 28.264 28.738 -0.195 0.000 0.907 493 Q HN 0.458 nan 8.270 nan 0.000 0.418 494 E N 0.214 120.268 120.200 -0.244 0.000 2.077 494 E HA -0.174 4.370 4.350 0.323 0.000 0.193 494 E C 2.048 178.550 176.600 -0.164 0.000 0.989 494 E CA 0.774 57.074 56.400 -0.166 0.000 0.800 494 E CB -0.153 29.466 29.700 -0.135 0.000 0.746 494 E HN 0.129 nan 8.360 nan 0.000 0.452 495 L N 0.436 121.527 121.223 -0.220 0.000 2.017 495 L HA -0.207 4.327 4.340 0.323 0.000 0.208 495 L C 1.985 178.785 176.870 -0.116 0.000 1.073 495 L CA 1.721 56.478 54.840 -0.139 0.000 0.745 495 L CB -0.572 41.434 42.059 -0.089 0.000 0.894 495 L HN 0.099 nan 8.230 nan 0.000 0.432 496 Y N -0.363 119.804 120.300 -0.222 0.000 2.224 496 Y HA -0.213 4.531 4.550 0.324 0.000 0.289 496 Y C 2.769 178.507 175.900 -0.269 0.000 1.146 496 Y CA 1.280 59.167 58.100 -0.355 0.000 1.182 496 Y CB -1.246 37.086 38.460 -0.215 0.000 0.983 496 Y HN 0.329 nan 8.280 nan 0.000 0.524 497 Q N 0.384 120.161 119.800 -0.039 0.000 2.049 497 Q HA -0.124 4.410 4.340 0.323 0.000 0.198 497 Q C 2.376 178.331 176.000 -0.074 0.000 0.971 497 Q CA 1.595 57.363 55.803 -0.057 0.000 0.833 497 Q CB -0.302 28.404 28.738 -0.053 0.000 0.896 497 Q HN 0.395 nan 8.270 nan 0.000 0.434 498 K N 0.249 120.604 120.400 -0.076 0.000 2.152 498 K HA -0.182 4.332 4.320 0.323 0.000 0.206 498 K C 1.111 177.671 176.600 -0.066 0.000 1.048 498 K CA 1.251 57.500 56.287 -0.063 0.000 0.933 498 K CB 0.143 32.610 32.500 -0.056 0.000 0.721 498 K HN 0.126 nan 8.250 nan 0.000 0.447 499 E N -0.660 119.476 120.200 -0.106 0.000 2.478 499 E HA 0.003 4.547 4.350 0.323 0.000 0.194 499 E C 0.697 177.215 176.600 -0.136 0.000 1.045 499 E CA 0.749 57.075 56.400 -0.125 0.000 0.868 499 E CB 0.571 30.120 29.700 -0.250 0.000 0.885 499 E HN 0.580 nan 8.360 nan 0.000 0.505 500 G N 1.781 110.504 108.800 -0.127 0.000 2.182 500 G HA2 -0.263 3.891 3.960 0.323 0.000 0.248 500 G HA3 -0.263 3.891 3.960 0.323 0.000 0.248 500 G C 0.778 175.592 174.900 -0.145 0.000 1.042 500 G CA 0.379 45.416 45.100 -0.105 0.000 0.775 500 G HN 0.304 nan 8.290 nan 0.000 0.501 501 L N -0.284 120.806 121.223 -0.220 0.000 2.492 501 L HA 0.370 4.904 4.340 0.323 0.000 0.223 501 L C 1.947 178.715 176.870 -0.171 0.000 1.132 501 L CA 0.853 55.513 54.840 -0.300 0.000 0.850 501 L CB -0.681 41.030 42.059 -0.581 0.000 0.966 501 L HN 1.233 nan 8.230 nan 0.000 0.454 502 G N -0.061 108.681 108.800 -0.097 0.000 2.508 502 G HA2 -0.221 3.933 3.960 0.323 0.000 0.220 502 G HA3 -0.221 3.933 3.960 0.323 0.000 0.220 502 G C -0.545 174.347 174.900 -0.013 0.000 1.287 502 G CA -0.548 44.524 45.100 -0.046 0.000 0.916 502 G HN -0.152 nan 8.290 nan 0.000 0.574 503 V N 2.744 122.660 119.914 0.004 0.000 2.498 503 V HA 0.603 4.917 4.120 0.323 0.000 0.279 503 V C 0.018 176.138 176.094 0.043 0.000 1.048 503 V CA -0.193 62.118 62.300 0.019 0.000 0.967 503 V CB 1.146 32.975 31.823 0.011 0.000 0.988 503 V HN 0.758 nan 8.190 nan 0.000 0.473 504 N N 3.408 122.139 118.700 0.051 0.000 2.666 504 N HA 0.209 5.143 4.740 0.323 0.000 0.260 504 N C -1.513 174.006 175.510 0.016 0.000 1.077 504 N CA -0.707 52.380 53.050 0.062 0.000 1.026 504 N CB 2.103 40.691 38.487 0.168 0.000 1.653 504 N HN 0.496 nan 8.380 nan 0.000 0.533 505 E N 1.271 121.428 120.200 -0.071 0.000 2.174 505 E HA 0.176 4.720 4.350 0.323 0.000 0.282 505 E C -0.446 176.030 176.600 -0.207 0.000 0.992 505 E CA -0.569 55.735 56.400 -0.160 0.000 0.803 505 E CB 2.601 32.133 29.700 -0.281 0.000 1.090 505 E HN 0.328 nan 8.360 nan 0.000 0.396 506 V N 6.319 126.169 119.914 -0.107 0.000 2.353 506 V HA 0.075 4.389 4.120 0.323 0.000 0.264 506 V C -0.158 175.908 176.094 -0.046 0.000 1.049 506 V CA -0.473 61.795 62.300 -0.053 0.000 0.896 506 V CB -0.045 31.805 31.823 0.045 0.000 1.025 506 V HN 0.542 nan 8.190 nan 0.000 0.475 507 H N 6.350 125.447 119.070 0.044 0.000 3.091 507 H HA 0.047 4.796 4.556 0.323 0.000 0.289 507 H C -0.711 174.681 175.328 0.107 0.000 0.995 507 H CA 0.727 56.809 56.048 0.057 0.000 1.461 507 H CB 0.230 30.002 29.762 0.017 0.000 1.510 507 H HN 0.825 nan 8.280 nan 0.000 0.546 508 Y N 4.018 124.373 120.300 0.092 0.000 2.417 508 Y HA 0.252 4.995 4.550 0.322 0.000 0.336 508 Y C -0.649 175.272 175.900 0.035 0.000 0.961 508 Y CA -0.848 57.274 58.100 0.037 0.000 1.215 508 Y CB 0.609 39.070 38.460 0.003 0.000 1.120 508 Y HN 0.270 nan 8.280 nan 0.000 0.499 509 V N 6.740 126.460 119.914 -0.324 0.000 2.352 509 V HA 0.017 4.331 4.120 0.323 0.000 0.253 509 V C 0.221 175.886 176.094 -0.716 0.000 1.083 509 V CA -0.208 61.852 62.300 -0.400 0.000 0.993 509 V CB -0.000 31.707 31.823 -0.192 0.000 1.111 509 V HN 0.740 nan 8.190 nan 0.000 0.490 510 D N 4.027 123.939 120.400 -0.813 0.000 2.360 510 D HA 0.047 4.881 4.640 0.323 0.000 0.242 510 D C 1.034 177.216 176.300 -0.197 0.000 1.184 510 D CA -0.182 53.428 54.000 -0.650 0.000 0.930 510 D CB 0.839 41.481 40.800 -0.264 0.000 1.161 510 D HN 0.597 nan 8.370 nan 0.000 0.447 511 N N 1.597 120.275 118.700 -0.037 0.000 2.238 511 N HA -0.058 4.876 4.740 0.323 0.000 0.222 511 N C 0.950 176.526 175.510 0.110 0.000 1.133 511 N CA -0.109 52.984 53.050 0.072 0.000 0.854 511 N CB 0.396 38.957 38.487 0.124 0.000 1.041 511 N HN 0.244 nan 8.380 nan 0.000 0.510 512 Q N 1.919 121.775 119.800 0.092 0.000 2.152 512 Q HA -0.204 4.330 4.340 0.323 0.000 0.206 512 Q C 1.165 177.241 176.000 0.127 0.000 0.985 512 Q CA 2.212 58.083 55.803 0.114 0.000 0.863 512 Q CB -0.233 28.565 28.738 0.100 0.000 0.904 512 Q HN 0.568 nan 8.270 nan 0.000 0.422 513 D N -0.910 119.568 120.400 0.130 0.000 2.117 513 D HA -0.183 4.651 4.640 0.323 0.000 0.197 513 D C 1.975 178.428 176.300 0.254 0.000 0.987 513 D CA 1.289 55.411 54.000 0.203 0.000 0.829 513 D CB -1.252 39.655 40.800 0.178 0.000 0.961 513 D HN 0.371 nan 8.370 nan 0.000 0.460 514 C N 0.256 119.672 119.300 0.192 0.000 2.429 514 C HA -0.032 4.621 4.460 0.323 0.000 0.277 514 C C 2.961 177.987 174.990 0.060 0.000 1.262 514 C CA 0.263 59.335 59.018 0.089 0.000 1.733 514 C CB -1.376 26.434 27.740 0.117 0.000 2.010 514 C HN 0.322 nan 8.230 nan 0.000 0.483 515 I N 0.838 121.487 120.570 0.132 0.000 2.179 515 I HA -0.174 4.190 4.170 0.323 0.000 0.242 515 I C 2.175 178.352 176.117 0.101 0.000 1.088 515 I CA 1.897 63.295 61.300 0.163 0.000 1.357 515 I CB -0.497 37.621 38.000 0.197 0.000 1.051 515 I HN 0.336 nan 8.210 nan 0.000 0.409 516 D N 0.454 120.916 120.400 0.102 0.000 2.144 516 D HA -0.171 4.663 4.640 0.323 0.000 0.199 516 D C 2.022 178.334 176.300 0.019 0.000 0.984 516 D CA 0.997 55.053 54.000 0.092 0.000 0.834 516 D CB -0.335 40.547 40.800 0.137 0.000 0.955 516 D HN 0.170 nan 8.370 nan 0.000 0.465 517 L N 0.743 121.913 121.223 -0.089 0.000 2.043 517 L HA -0.158 4.376 4.340 0.323 0.000 0.212 517 L C 1.974 178.664 176.870 -0.299 0.000 1.075 517 L CA 1.523 56.127 54.840 -0.395 0.000 0.752 517 L CB -0.395 41.263 42.059 -0.668 0.000 0.891 517 L HN 0.006 nan 8.230 nan 0.000 0.432 518 I N -0.733 119.727 120.570 -0.183 0.000 2.339 518 I HA -0.145 4.219 4.170 0.323 0.000 0.245 518 I C 2.169 178.197 176.117 -0.149 0.000 1.096 518 I CA 1.363 62.562 61.300 -0.168 0.000 1.408 518 I CB -0.202 37.575 38.000 -0.372 0.000 1.092 518 I HN 0.412 nan 8.210 nan 0.000 0.423 519 E N 1.486 121.616 120.200 -0.117 0.000 2.526 519 E HA 0.290 4.834 4.350 0.323 0.000 0.208 519 E C 0.716 177.350 176.600 0.057 0.000 0.997 519 E CA -0.256 56.120 56.400 -0.040 0.000 0.961 519 E CB 0.291 30.020 29.700 0.048 0.000 1.030 519 E HN 0.223 nan 8.360 nan 0.000 0.483 520 A N 2.207 125.066 122.820 0.065 0.000 2.546 520 A HA 0.098 4.611 4.320 0.323 0.000 0.243 520 A C 0.183 177.823 177.584 0.094 0.000 1.063 520 A CA -0.221 51.871 52.037 0.092 0.000 0.757 520 A CB 0.025 19.090 19.000 0.109 0.000 0.991 520 A HN 0.271 nan 8.150 nan 0.000 0.503 521 R N 1.457 122.011 120.500 0.090 0.000 2.619 521 R HA 0.092 4.626 4.340 0.323 0.000 0.268 521 R C 0.807 177.157 176.300 0.084 0.000 0.990 521 R CA 0.551 56.702 56.100 0.084 0.000 1.092 521 R CB -0.079 30.266 30.300 0.075 0.000 0.935 521 R HN 0.893 nan 8.270 nan 0.000 0.415 522 L N 0.909 122.181 121.223 0.082 0.000 3.530 522 L HA -0.425 4.109 4.340 0.323 0.000 0.357 522 L C 1.631 178.554 176.870 0.089 0.000 2.051 522 L CA 2.054 56.940 54.840 0.077 0.000 2.804 522 L CB -1.239 40.857 42.059 0.062 0.000 1.640 522 L HN 0.676 nan 8.230 nan 0.000 0.757 523 V N -3.250 116.726 119.914 0.103 0.000 3.565 523 V HA 0.427 4.741 4.120 0.323 0.000 0.260 523 V C 1.292 177.536 176.094 0.251 0.000 1.231 523 V CA 0.728 63.103 62.300 0.126 0.000 1.100 523 V CB -0.007 31.872 31.823 0.094 0.000 0.807 523 V HN 0.395 nan 8.190 nan 0.000 0.454 524 G N 0.111 109.017 108.800 0.177 0.000 2.554 524 G HA2 0.325 4.479 3.960 0.323 0.000 0.238 524 G HA3 0.325 4.479 3.960 0.323 0.000 0.238 524 G C 0.719 175.692 174.900 0.122 0.000 1.259 524 G CA -0.060 45.109 45.100 0.116 0.000 0.843 524 G HN 0.291 nan 8.290 nan 0.000 0.582 525 I N 0.648 121.248 120.570 0.049 0.000 2.248 525 I HA -0.219 4.145 4.170 0.323 0.000 0.248 525 I C 2.567 178.840 176.117 0.260 0.000 1.107 525 I CA 0.980 62.359 61.300 0.131 0.000 1.373 525 I CB -0.158 37.878 38.000 0.060 0.000 1.055 525 I HN 0.427 nan 8.210 nan 0.000 0.418 526 L N -0.035 121.306 121.223 0.196 0.000 2.093 526 L HA -0.205 4.329 4.340 0.323 0.000 0.208 526 L C 1.986 178.944 176.870 0.146 0.000 1.085 526 L CA 1.157 56.110 54.840 0.189 0.000 0.755 526 L CB -0.569 41.583 42.059 0.155 0.000 0.904 526 L HN 0.211 nan 8.230 nan 0.000 0.435 527 D N 0.091 120.572 120.400 0.135 0.000 2.183 527 D HA -0.087 4.746 4.640 0.323 0.000 0.203 527 D C 2.255 178.637 176.300 0.136 0.000 0.969 527 D CA 1.004 55.076 54.000 0.120 0.000 0.842 527 D CB 0.039 40.903 40.800 0.107 0.000 0.957 527 D HN 0.268 nan 8.370 nan 0.000 0.484 528 I N 0.182 120.864 120.570 0.187 0.000 2.394 528 I HA -0.197 4.167 4.170 0.323 0.000 0.251 528 I C 2.129 178.420 176.117 0.290 0.000 1.136 528 I CA 0.363 61.805 61.300 0.237 0.000 1.425 528 I CB -0.008 38.145 38.000 0.255 0.000 1.079 528 I HN 0.035 nan 8.210 nan 0.000 0.425 529 L N 0.908 122.255 121.223 0.207 0.000 2.056 529 L HA -0.198 4.336 4.340 0.323 0.000 0.207 529 L C 1.847 178.661 176.870 -0.093 0.000 1.078 529 L CA 2.007 56.735 54.840 -0.186 0.000 0.749 529 L CB -0.740 41.061 42.059 -0.429 0.000 0.901 529 L HN 0.132 nan 8.230 nan 0.000 0.433 530 D N -0.543 119.856 120.400 -0.002 0.000 2.117 530 D HA -0.222 4.612 4.640 0.323 0.000 0.197 530 D C 2.066 178.387 176.300 0.035 0.000 0.987 530 D CA 1.319 55.328 54.000 0.015 0.000 0.829 530 D CB -0.019 40.809 40.800 0.048 0.000 0.961 530 D HN 0.473 nan 8.370 nan 0.000 0.460 531 E N 0.973 121.215 120.200 0.070 0.000 2.085 531 E HA -0.233 4.311 4.350 0.323 0.000 0.194 531 E C 1.783 178.432 176.600 0.082 0.000 0.994 531 E CA 1.337 57.786 56.400 0.082 0.000 0.801 531 E CB -0.121 29.645 29.700 0.110 0.000 0.743 531 E HN 0.055 nan 8.360 nan 0.000 0.453 532 E N 0.443 120.704 120.200 0.102 0.000 2.118 532 E HA -0.198 4.346 4.350 0.323 0.000 0.195 532 E C 1.546 178.163 176.600 0.028 0.000 0.992 532 E CA 1.529 57.989 56.400 0.099 0.000 0.804 532 E CB -0.380 29.393 29.700 0.123 0.000 0.741 532 E HN 0.305 nan 8.360 nan 0.000 0.458 533 N N 0.187 118.887 118.700 0.001 0.000 2.272 533 N HA -0.148 4.786 4.740 0.323 0.000 0.185 533 N C 1.355 176.864 175.510 -0.001 0.000 1.014 533 N CA 1.044 54.087 53.050 -0.010 0.000 0.870 533 N CB -0.145 38.334 38.487 -0.013 0.000 0.975 533 N HN 0.254 nan 8.380 nan 0.000 0.433 534 R N -0.241 120.265 120.500 0.009 0.000 2.276 534 R HA 0.202 4.735 4.340 0.323 0.000 0.196 534 R C 0.412 176.711 176.300 -0.003 0.000 0.961 534 R CA 0.025 56.129 56.100 0.008 0.000 1.024 534 R CB 0.176 30.487 30.300 0.020 0.000 0.940 534 R HN 0.140 nan 8.270 nan 0.000 0.480 535 L N 1.137 122.352 121.223 -0.013 0.000 2.453 535 L HA 0.159 4.693 4.340 0.323 0.000 0.261 535 L C -1.352 175.492 176.870 -0.043 0.000 1.179 535 L CA -1.926 52.889 54.840 -0.041 0.000 0.813 535 L CB 0.256 42.261 42.059 -0.090 0.000 1.110 535 L HN -0.227 nan 8.230 nan 0.000 0.466 536 P HA -0.150 nan 4.420 nan 0.000 0.215 536 P C -0.175 177.103 177.300 -0.038 0.000 1.157 536 P CA 1.385 64.462 63.100 -0.038 0.000 0.874 536 P CB 0.207 31.884 31.700 -0.039 0.000 0.790 537 Q N -0.770 118.998 119.800 -0.053 0.000 2.700 537 Q HA 0.333 4.867 4.340 0.323 0.000 0.249 537 Q C -2.482 173.491 176.000 -0.045 0.000 1.033 537 Q CA -2.033 53.745 55.803 -0.041 0.000 0.804 537 Q CB 0.322 29.039 28.738 -0.036 0.000 1.164 537 Q HN 0.206 nan 8.270 nan 0.000 0.500 538 P HA 0.009 nan 4.420 nan 0.000 0.264 538 P C -0.339 176.971 177.300 0.017 0.000 1.183 538 P CA 0.454 63.548 63.100 -0.010 0.000 0.763 538 P CB 0.681 32.375 31.700 -0.011 0.000 0.807 539 S N 0.874 116.612 115.700 0.065 0.000 2.536 539 S HA 0.288 4.952 4.470 0.323 0.000 0.271 539 S C 0.475 175.171 174.600 0.160 0.000 1.134 539 S CA -0.740 57.517 58.200 0.094 0.000 0.897 539 S CB 1.427 64.684 63.200 0.096 0.000 1.094 539 S HN 0.226 nan 8.310 nan 0.000 0.473 540 D N 2.132 122.610 120.400 0.131 0.000 2.149 540 D HA -0.116 4.718 4.640 0.323 0.000 0.198 540 D C 1.583 178.005 176.300 0.203 0.000 0.990 540 D CA 1.675 55.788 54.000 0.189 0.000 0.839 540 D CB -0.025 40.842 40.800 0.111 0.000 0.948 540 D HN 0.665 nan 8.370 nan 0.000 0.460 541 Q N -0.555 119.323 119.800 0.131 0.000 2.083 541 Q HA -0.102 4.431 4.340 0.323 0.000 0.198 541 Q C 2.121 178.180 176.000 0.098 0.000 0.969 541 Q CA 0.835 56.690 55.803 0.086 0.000 0.838 541 Q CB -0.298 28.483 28.738 0.073 0.000 0.900 541 Q HN 0.465 nan 8.270 nan 0.000 0.436 542 H N -0.415 118.699 119.070 0.073 0.000 2.357 542 H HA -0.145 4.604 4.556 0.323 0.000 0.301 542 H C 1.858 177.243 175.328 0.095 0.000 1.082 542 H CA 1.561 57.652 56.048 0.071 0.000 1.342 542 H CB -0.166 29.639 29.762 0.071 0.000 1.389 542 H HN 0.342 nan 8.280 nan 0.000 0.511 543 F N 1.849 121.863 119.950 0.106 0.000 2.091 543 F HA -0.243 4.478 4.527 0.323 0.000 0.299 543 F C 2.247 178.031 175.800 -0.027 0.000 1.103 543 F CA 2.319 60.346 58.000 0.045 0.000 1.228 543 F CB -0.864 38.169 39.000 0.054 0.000 0.984 543 F HN 0.044 nan 8.300 nan 0.000 0.477 544 T N -0.171 114.129 114.554 -0.422 0.000 2.812 544 T HA -0.136 4.408 4.350 0.323 0.000 0.264 544 T C 2.149 176.671 174.700 -0.297 0.000 1.042 544 T CA 1.586 63.356 62.100 -0.549 0.000 1.140 544 T CB -0.556 68.168 68.868 -0.240 0.000 0.870 544 T HN 0.313 nan 8.240 nan 0.000 0.445 545 S N 1.767 117.380 115.700 -0.144 0.000 2.383 545 S HA -0.063 4.601 4.470 0.323 0.000 0.229 545 S C 2.591 177.096 174.600 -0.159 0.000 1.030 545 S CA 0.959 59.113 58.200 -0.076 0.000 1.002 545 S CB -0.597 62.540 63.200 -0.106 0.000 0.829 545 S HN 0.594 nan 8.310 nan 0.000 0.467 546 A N 1.156 123.809 122.820 -0.278 0.000 1.933 546 A HA -0.050 4.464 4.320 0.323 0.000 0.218 546 A C 2.340 179.817 177.584 -0.178 0.000 1.175 546 A CA 1.461 53.368 52.037 -0.216 0.000 0.628 546 A CB -0.870 18.029 19.000 -0.169 0.000 0.814 546 A HN 0.348 nan 8.150 nan 0.000 0.444 547 V N -0.297 119.433 119.914 -0.308 0.000 2.295 547 V HA -0.245 4.068 4.120 0.323 0.000 0.246 547 V C 2.461 178.436 176.094 -0.199 0.000 1.049 547 V CA 2.100 64.216 62.300 -0.306 0.000 1.024 547 V CB -0.992 30.435 31.823 -0.659 0.000 0.648 547 V HN 0.655 nan 8.190 nan 0.000 0.447 548 H N -0.407 118.594 119.070 -0.116 0.000 2.389 548 H HA -0.159 4.591 4.556 0.323 0.000 0.299 548 H C 2.339 177.637 175.328 -0.049 0.000 1.081 548 H CA 2.052 58.064 56.048 -0.061 0.000 1.345 548 H CB -0.173 29.554 29.762 -0.059 0.000 1.393 548 H HN 0.481 nan 8.280 nan 0.000 0.520 549 Q N 1.800 121.622 119.800 0.038 0.000 1.993 549 Q HA -0.156 4.378 4.340 0.323 0.000 0.202 549 Q C 2.283 178.248 176.000 -0.059 0.000 0.984 549 Q CA 2.055 57.850 55.803 -0.015 0.000 0.837 549 Q CB -0.119 28.592 28.738 -0.044 0.000 0.902 549 Q HN 0.088 nan 8.270 nan 0.000 0.423 550 K N -0.587 119.738 120.400 -0.126 0.000 2.211 550 K HA -0.146 4.368 4.320 0.323 0.000 0.204 550 K C 0.621 176.962 176.600 -0.431 0.000 1.047 550 K CA 1.597 57.712 56.287 -0.286 0.000 0.935 550 K CB -0.101 32.168 32.500 -0.384 0.000 0.728 550 K HN 0.481 nan 8.250 nan 0.000 0.452 551 H N -0.835 118.236 119.070 0.003 0.000 2.510 551 H HA 0.212 4.963 4.556 0.324 0.000 0.266 551 H C 0.613 175.990 175.328 0.082 0.000 1.146 551 H CA -0.172 55.908 56.048 0.053 0.000 0.993 551 H CB 0.596 30.351 29.762 -0.011 0.000 1.727 551 H HN 0.139 nan 8.280 nan 0.000 0.590 552 K N 0.639 121.103 120.400 0.106 0.000 2.090 552 K HA -0.197 4.317 4.320 0.323 0.000 0.218 552 K C 0.631 177.292 176.600 0.101 0.000 1.055 552 K CA 2.026 58.365 56.287 0.086 0.000 0.941 552 K CB 0.134 32.657 32.500 0.039 0.000 0.722 552 K HN 0.227 nan 8.250 nan 0.000 0.458 553 D N -0.687 119.775 120.400 0.102 0.000 2.342 553 D HA -0.026 4.808 4.640 0.323 0.000 0.221 553 D C -0.066 176.308 176.300 0.123 0.000 1.101 553 D CA 0.183 54.236 54.000 0.088 0.000 0.837 553 D CB -0.009 40.818 40.800 0.045 0.000 0.938 553 D HN 0.209 nan 8.370 nan 0.000 0.508 554 H N 0.466 119.605 119.070 0.114 0.000 2.767 554 H HA -0.023 4.727 4.556 0.323 0.000 0.316 554 H C 0.799 176.207 175.328 0.132 0.000 1.059 554 H CA -0.115 56.012 56.048 0.131 0.000 1.461 554 H CB 0.472 30.300 29.762 0.111 0.000 1.475 554 H HN 0.036 nan 8.280 nan 0.000 0.531 555 F N 4.897 124.884 119.950 0.061 0.000 2.192 555 F HA -0.205 4.516 4.527 0.323 0.000 0.301 555 F C 1.613 177.518 175.800 0.175 0.000 1.079 555 F CA 1.268 59.322 58.000 0.090 0.000 1.303 555 F CB 0.384 39.383 39.000 -0.002 0.000 1.024 555 F HN 0.377 nan 8.300 nan 0.000 0.494 556 R N 0.150 120.849 120.500 0.333 0.000 2.359 556 R HA 0.265 4.799 4.340 0.323 0.000 0.231 556 R C -0.701 175.542 176.300 -0.095 0.000 0.913 556 R CA 0.008 56.111 56.100 0.005 0.000 1.075 556 R CB -0.156 30.182 30.300 0.063 0.000 1.087 556 R HN 0.249 nan 8.270 nan 0.000 0.515 557 L N -0.272 120.929 121.223 -0.037 0.000 2.408 557 L HA 0.485 5.019 4.340 0.323 0.000 0.268 557 L C -0.986 175.902 176.870 0.030 0.000 0.986 557 L CA -0.153 54.657 54.840 -0.049 0.000 0.820 557 L CB 2.471 44.455 42.059 -0.126 0.000 1.303 557 L HN -0.141 nan 8.230 nan 0.000 0.411 558 S N 3.539 119.280 115.700 0.069 0.000 2.579 558 S HA 0.638 5.302 4.470 0.323 0.000 0.272 558 S C -0.648 174.035 174.600 0.139 0.000 1.141 558 S CA -0.688 57.553 58.200 0.069 0.000 0.843 558 S CB 1.626 64.832 63.200 0.010 0.000 1.122 558 S HN 0.751 nan 8.310 nan 0.000 0.468 559 I N -0.123 120.460 120.570 0.022 0.000 3.004 559 I HA 0.345 4.709 4.170 0.323 0.000 0.287 559 I C -2.072 174.045 176.117 -0.000 0.000 1.144 559 I CA -1.698 59.569 61.300 -0.055 0.000 1.353 559 I CB 0.206 38.054 38.000 -0.254 0.000 1.417 559 I HN 0.334 nan 8.210 nan 0.000 0.602 560 P HA -0.045 nan 4.420 nan 0.000 0.217 560 P C 1.482 178.783 177.300 0.002 0.000 1.151 560 P CA 1.346 64.433 63.100 -0.021 0.000 0.828 560 P CB -0.015 31.670 31.700 -0.025 0.000 0.788 561 R N 0.255 120.751 120.500 -0.005 0.000 2.178 561 R HA -0.189 4.345 4.340 0.323 0.000 0.257 561 R C 1.879 178.183 176.300 0.007 0.000 1.163 561 R CA 1.566 57.667 56.100 0.001 0.000 0.981 561 R CB -0.432 29.856 30.300 -0.021 0.000 0.878 561 R HN 0.202 nan 8.270 nan 0.000 0.454 562 K N 0.431 120.829 120.400 -0.004 0.000 2.486 562 K HA 0.026 4.540 4.320 0.323 0.000 0.194 562 K C 0.824 177.430 176.600 0.009 0.000 1.033 562 K CA 0.207 56.492 56.287 -0.003 0.000 1.004 562 K CB 0.074 32.566 32.500 -0.013 0.000 0.798 562 K HN 0.058 nan 8.250 nan 0.000 0.495 563 S N 1.991 117.709 115.700 0.029 0.000 2.558 563 S HA -0.070 4.593 4.470 0.323 0.000 0.287 563 S C 1.239 175.871 174.600 0.054 0.000 1.321 563 S CA -0.063 58.175 58.200 0.064 0.000 1.048 563 S CB 0.849 64.164 63.200 0.192 0.000 0.844 563 S HN 0.369 nan 8.310 nan 0.000 0.512 564 K N 3.976 124.399 120.400 0.038 0.000 2.147 564 K HA 0.053 4.567 4.320 0.323 0.000 0.205 564 K C 0.592 177.198 176.600 0.010 0.000 1.049 564 K CA 0.781 57.079 56.287 0.018 0.000 0.936 564 K CB -0.510 31.994 32.500 0.006 0.000 0.722 564 K HN 0.516 nan 8.250 nan 0.000 0.446 565 L N 1.118 122.353 121.223 0.019 0.000 2.439 565 L HA 0.094 4.628 4.340 0.323 0.000 0.269 565 L C 1.513 178.319 176.870 -0.105 0.000 1.179 565 L CA -0.256 54.539 54.840 -0.075 0.000 0.828 565 L CB 0.869 42.804 42.059 -0.205 0.000 1.106 565 L HN 0.274 nan 8.230 nan 0.000 0.467 566 A N 3.642 126.390 122.820 -0.120 0.000 1.968 566 A HA -0.098 4.416 4.320 0.323 0.000 0.217 566 A C 1.894 179.396 177.584 -0.137 0.000 1.169 566 A CA 1.141 53.121 52.037 -0.095 0.000 0.638 566 A CB -0.561 18.398 19.000 -0.068 0.000 0.812 566 A HN 0.855 nan 8.150 nan 0.000 0.446 567 I N -3.287 117.128 120.570 -0.257 0.000 2.700 567 I HA -0.206 4.158 4.170 0.323 0.000 0.261 567 I C 1.569 177.557 176.117 -0.214 0.000 1.219 567 I CA 1.710 62.850 61.300 -0.266 0.000 1.463 567 I CB -0.779 37.015 38.000 -0.342 0.000 1.092 567 I HN 0.406 nan 8.210 nan 0.000 0.452 568 H N -0.199 118.855 119.070 -0.027 0.000 2.551 568 H HA 0.202 4.952 4.556 0.323 0.000 0.271 568 H C 1.858 177.179 175.328 -0.012 0.000 0.984 568 H CA -0.373 55.662 56.048 -0.021 0.000 1.164 568 H CB 0.220 29.965 29.762 -0.029 0.000 1.437 568 H HN 0.150 nan 8.280 nan 0.000 0.550 569 R N 1.622 122.157 120.500 0.059 0.000 2.091 569 R HA -0.074 4.460 4.340 0.323 0.000 0.238 569 R C 0.639 176.959 176.300 0.033 0.000 1.136 569 R CA 1.611 57.732 56.100 0.035 0.000 0.959 569 R CB -0.226 30.079 30.300 0.007 0.000 0.856 569 R HN 0.350 nan 8.270 nan 0.000 0.437 570 N N -0.790 117.931 118.700 0.036 0.000 2.235 570 N HA 0.210 5.143 4.740 0.323 0.000 0.209 570 N C -0.694 174.838 175.510 0.036 0.000 1.122 570 N CA -0.221 52.847 53.050 0.029 0.000 0.845 570 N CB 0.549 39.051 38.487 0.024 0.000 1.004 570 N HN 0.118 nan 8.380 nan 0.000 0.499 571 I N 1.891 122.492 120.570 0.050 0.000 2.452 571 I HA 0.069 4.433 4.170 0.323 0.000 0.287 571 I C 0.609 176.736 176.117 0.016 0.000 1.079 571 I CA -0.261 61.063 61.300 0.041 0.000 1.387 571 I CB 0.490 38.521 38.000 0.052 0.000 1.404 571 I HN 0.003 nan 8.210 nan 0.000 0.522 572 R N 4.029 124.533 120.500 0.007 0.000 2.738 572 R HA 0.021 4.555 4.340 0.323 0.000 0.268 572 R C 0.619 176.908 176.300 -0.018 0.000 1.062 572 R CA -0.514 55.582 56.100 -0.007 0.000 1.158 572 R CB 0.451 30.750 30.300 -0.003 0.000 1.046 572 R HN 0.515 nan 8.270 nan 0.000 0.493 573 D N 0.882 121.254 120.400 -0.048 0.000 2.182 573 D HA -0.165 4.669 4.640 0.323 0.000 0.201 573 D C 0.944 177.249 176.300 0.007 0.000 0.986 573 D CA 1.502 55.439 54.000 -0.105 0.000 0.847 573 D CB -0.078 40.619 40.800 -0.172 0.000 0.942 573 D HN 0.581 nan 8.370 nan 0.000 0.467 574 D N -0.509 119.901 120.400 0.018 0.000 2.342 574 D HA -0.017 4.817 4.640 0.323 0.000 0.221 574 D C 0.820 177.122 176.300 0.004 0.000 1.101 574 D CA 0.148 54.170 54.000 0.037 0.000 0.837 574 D CB -0.249 40.563 40.800 0.021 0.000 0.938 574 D HN 0.176 nan 8.370 nan 0.000 0.508 575 E N -0.361 119.835 120.200 -0.008 0.000 2.489 575 E HA 0.372 4.916 4.350 0.323 0.000 0.204 575 E C 0.618 177.154 176.600 -0.107 0.000 1.006 575 E CA -0.090 56.286 56.400 -0.040 0.000 0.936 575 E CB 1.156 30.849 29.700 -0.012 0.000 1.002 575 E HN 0.332 nan 8.360 nan 0.000 0.488 576 G N 0.927 109.662 108.800 -0.109 0.000 2.495 576 G HA2 0.474 4.628 3.960 0.323 0.000 0.294 576 G HA3 0.474 4.628 3.960 0.323 0.000 0.294 576 G C -1.697 173.157 174.900 -0.078 0.000 1.397 576 G CA -0.924 44.027 45.100 -0.248 0.000 0.790 576 G HN 0.110 nan 8.290 nan 0.000 0.486 577 F N -1.741 118.217 119.950 0.012 0.000 2.668 577 F HA 0.819 5.539 4.527 0.322 0.000 0.309 577 F C -1.056 174.805 175.800 0.101 0.000 1.117 577 F CA -1.565 56.477 58.000 0.070 0.000 0.951 577 F CB 1.646 40.592 39.000 -0.090 0.000 1.323 577 F HN 0.405 nan 8.300 nan 0.000 0.451 578 I N 3.042 123.829 120.570 0.361 0.000 2.354 578 I HA 0.436 4.800 4.170 0.323 0.000 0.292 578 I C -0.685 175.566 176.117 0.223 0.000 0.989 578 I CA -0.663 60.767 61.300 0.217 0.000 1.188 578 I CB 1.810 39.836 38.000 0.044 0.000 1.342 578 I HN 0.503 nan 8.210 nan 0.000 0.457 579 I N 6.203 126.927 120.570 0.258 0.000 2.404 579 I HA 0.367 4.731 4.170 0.323 0.000 0.293 579 I C 0.119 176.192 176.117 -0.074 0.000 0.992 579 I CA -0.761 60.562 61.300 0.038 0.000 1.149 579 I CB 1.398 39.407 38.000 0.014 0.000 1.315 579 I HN 0.438 nan 8.210 nan 0.000 0.446 580 R N 5.746 126.168 120.500 -0.131 0.000 2.608 580 R HA 0.270 4.804 4.340 0.323 0.000 0.277 580 R C -0.191 176.077 176.300 -0.054 0.000 1.341 580 R CA -0.492 55.551 56.100 -0.096 0.000 1.199 580 R CB -0.192 30.012 30.300 -0.159 0.000 1.156 580 R HN 0.519 nan 8.270 nan 0.000 0.558 581 H N 1.998 121.113 119.070 0.075 0.000 2.639 581 H HA -0.039 4.711 4.556 0.325 0.000 0.373 581 H C 1.520 176.823 175.328 -0.041 0.000 1.372 581 H CA 0.090 56.190 56.048 0.086 0.000 1.448 581 H CB 0.520 30.367 29.762 0.142 0.000 1.544 581 H HN 0.462 nan 8.280 nan 0.000 0.615 582 F N -0.321 119.680 119.950 0.085 0.000 2.202 582 F HA -0.058 4.662 4.527 0.321 0.000 0.301 582 F C 1.960 177.684 175.800 -0.127 0.000 1.082 582 F CA 1.048 59.033 58.000 -0.024 0.000 1.313 582 F CB -0.439 38.545 39.000 -0.027 0.000 1.024 582 F HN 0.347 nan 8.300 nan 0.000 0.495 583 A N 0.213 122.250 122.820 -1.305 0.000 2.275 583 A HA 0.609 5.123 4.320 0.323 0.000 0.212 583 A C 1.169 178.438 177.584 -0.525 0.000 1.201 583 A CA 0.516 51.871 52.037 -1.136 0.000 0.843 583 A CB -0.933 16.777 19.000 -2.150 0.000 0.873 583 A HN 1.000 nan 8.150 nan 0.000 0.492 584 G N -2.146 106.465 108.800 -0.315 0.000 2.354 584 G HA2 0.500 4.654 3.960 0.323 0.000 0.582 584 G HA3 0.500 4.654 3.960 0.323 0.000 0.582 584 G C -0.330 174.557 174.900 -0.023 0.000 1.316 584 G CA -0.385 44.641 45.100 -0.123 0.000 0.995 584 G HN 1.336 nan 8.290 nan 0.000 0.573 585 A N -0.820 121.964 122.820 -0.061 0.000 2.401 585 A HA 0.704 5.218 4.320 0.323 0.000 0.259 585 A C 0.197 177.730 177.584 -0.085 0.000 1.103 585 A CA 0.013 52.026 52.037 -0.041 0.000 0.789 585 A CB 0.884 19.840 19.000 -0.072 0.000 1.035 585 A HN 1.824 nan 8.150 nan 0.000 0.491 586 V N 2.309 122.222 119.914 -0.002 0.000 2.531 586 V HA 0.293 4.607 4.120 0.323 0.000 0.301 586 V C -0.250 175.693 176.094 -0.251 0.000 1.034 586 V CA -0.721 61.479 62.300 -0.167 0.000 0.865 586 V CB 1.421 33.180 31.823 -0.106 0.000 0.995 586 V HN 1.030 nan 8.190 nan 0.000 0.424 587 C N 6.882 125.953 119.300 -0.380 0.000 2.246 587 C HA 0.628 5.282 4.460 0.323 0.000 0.329 587 C C -0.394 174.356 174.990 -0.401 0.000 1.221 587 C CA -0.547 58.232 59.018 -0.398 0.000 1.697 587 C CB -1.185 26.065 27.740 -0.815 0.000 2.312 587 C HN 0.742 nan 8.230 nan 0.000 0.509 588 Y N 3.885 124.140 120.300 -0.074 0.000 2.320 588 Y HA 0.420 5.163 4.550 0.322 0.000 0.334 588 Y C 0.694 176.413 175.900 -0.301 0.000 1.055 588 Y CA -0.180 57.857 58.100 -0.104 0.000 1.143 588 Y CB 0.761 39.148 38.460 -0.121 0.000 1.193 588 Y HN 0.611 nan 8.280 nan 0.000 0.477 589 E N 0.834 121.033 120.200 -0.001 0.000 2.227 589 E HA 0.179 4.723 4.350 0.323 0.000 0.282 589 E C 0.240 176.741 176.600 -0.166 0.000 1.015 589 E CA -0.211 56.145 56.400 -0.072 0.000 0.823 589 E CB 0.976 30.721 29.700 0.075 0.000 1.081 589 E HN 0.734 nan 8.360 nan 0.000 0.396 590 T N -1.258 113.071 114.554 -0.376 0.000 3.069 590 T HA -0.006 4.538 4.350 0.323 0.000 0.252 590 T C 1.041 175.662 174.700 -0.132 0.000 1.053 590 T CA -0.417 61.261 62.100 -0.705 0.000 0.964 590 T CB 0.270 68.656 68.868 -0.804 0.000 1.005 590 T HN 0.355 nan 8.240 nan 0.000 0.532 591 T N 2.669 117.218 114.554 -0.009 0.000 2.849 591 T HA -0.016 4.528 4.350 0.323 0.000 0.289 591 T C 0.600 175.390 174.700 0.150 0.000 1.010 591 T CA 0.977 63.116 62.100 0.065 0.000 1.161 591 T CB -0.322 68.572 68.868 0.044 0.000 0.989 591 T HN 0.664 nan 8.240 nan 0.000 0.523 592 Q N 2.010 121.874 119.800 0.108 0.000 2.385 592 Q HA -0.208 4.325 4.340 0.323 0.000 0.215 592 Q C 0.843 176.869 176.000 0.044 0.000 0.671 592 Q CA 1.247 57.090 55.803 0.067 0.000 1.335 592 Q CB -2.102 26.666 28.738 0.050 0.000 1.425 592 Q HN 0.851 nan 8.270 nan 0.000 0.781 593 F N -0.184 119.650 119.950 -0.194 0.000 2.171 593 F HA -0.224 4.498 4.527 0.326 0.000 0.300 593 F C 2.341 177.796 175.800 -0.576 0.000 1.090 593 F CA 1.446 59.187 58.000 -0.431 0.000 1.293 593 F CB 0.114 38.887 39.000 -0.378 0.000 1.013 593 F HN 0.027 nan 8.300 nan 0.000 0.486 594 V N 0.776 120.569 119.914 -0.201 0.000 2.307 594 V HA -0.285 4.029 4.120 0.323 0.000 0.245 594 V C 2.218 178.186 176.094 -0.211 0.000 1.045 594 V CA 2.272 64.429 62.300 -0.238 0.000 1.024 594 V CB -0.843 30.908 31.823 -0.121 0.000 0.651 594 V HN 0.444 nan 8.190 nan 0.000 0.449 595 E N 0.623 120.736 120.200 -0.144 0.000 2.106 595 E HA -0.254 4.290 4.350 0.323 0.000 0.192 595 E C 2.027 178.532 176.600 -0.158 0.000 0.984 595 E CA 1.266 57.599 56.400 -0.111 0.000 0.806 595 E CB -0.372 29.295 29.700 -0.054 0.000 0.750 595 E HN 0.522 nan 8.360 nan 0.000 0.458 596 K N 0.413 120.660 120.400 -0.254 0.000 2.362 596 K HA -0.074 4.440 4.320 0.323 0.000 0.200 596 K C 1.578 177.928 176.600 -0.418 0.000 1.046 596 K CA 1.025 57.128 56.287 -0.306 0.000 0.952 596 K CB -0.105 32.177 32.500 -0.364 0.000 0.753 596 K HN 0.057 nan 8.250 nan 0.000 0.466 597 N N 0.909 119.291 118.700 -0.529 0.000 2.461 597 N HA -0.037 4.897 4.740 0.323 0.000 0.188 597 N C -0.773 174.659 175.510 -0.131 0.000 1.134 597 N CA 0.265 53.084 53.050 -0.384 0.000 0.878 597 N CB 0.272 38.498 38.487 -0.435 0.000 0.972 597 N HN 0.054 nan 8.380 nan 0.000 0.456 598 N N 0.663 119.303 118.700 -0.099 0.000 2.407 598 N HA 0.130 5.064 4.740 0.323 0.000 0.277 598 N C -1.130 174.386 175.510 0.010 0.000 0.995 598 N CA -0.251 52.783 53.050 -0.027 0.000 0.903 598 N CB 1.731 40.199 38.487 -0.031 0.000 1.218 598 N HN 0.253 nan 8.380 nan 0.000 0.487 599 D N -0.719 119.708 120.400 0.045 0.000 2.672 599 D HA 0.107 4.940 4.640 0.323 0.000 0.287 599 D C -0.128 176.221 176.300 0.080 0.000 1.559 599 D CA -0.421 53.618 54.000 0.065 0.000 0.796 599 D CB -0.327 40.519 40.800 0.078 0.000 1.181 599 D HN 0.382 nan 8.370 nan 0.000 0.458 600 A N 0.647 123.511 122.820 0.074 0.000 2.511 600 A HA 0.411 4.925 4.320 0.323 0.000 0.242 600 A C -0.195 177.440 177.584 0.086 0.000 1.069 600 A CA -0.283 51.803 52.037 0.082 0.000 0.763 600 A CB 0.209 19.254 19.000 0.076 0.000 1.001 600 A HN 0.384 nan 8.150 nan 0.000 0.498 601 L N 4.219 125.488 121.223 0.077 0.000 2.262 601 L HA 0.399 4.933 4.340 0.323 0.000 0.288 601 L C 0.448 177.327 176.870 0.015 0.000 1.035 601 L CA -0.371 54.486 54.840 0.028 0.000 0.820 601 L CB 0.224 42.299 42.059 0.027 0.000 1.204 601 L HN 0.854 nan 8.230 nan 0.000 0.424 602 H N 2.224 121.314 119.070 0.034 0.000 2.929 602 H HA 0.027 4.778 4.556 0.324 0.000 0.358 602 H C 1.188 176.526 175.328 0.016 0.000 1.111 602 H CA 0.626 56.686 56.048 0.020 0.000 1.409 602 H CB 0.458 30.224 29.762 0.006 0.000 1.373 602 H HN 0.796 nan 8.280 nan 0.000 0.610 603 M N 1.836 121.520 119.600 0.139 0.000 2.159 603 M HA -0.211 4.462 4.480 0.323 0.000 0.263 603 M C 2.008 178.321 176.300 0.022 0.000 1.063 603 M CA 2.159 57.492 55.300 0.055 0.000 1.110 603 M CB -0.212 32.425 32.600 0.061 0.000 1.374 603 M HN 0.845 nan 8.290 nan 0.000 0.411 604 S N 0.496 116.263 115.700 0.113 0.000 2.368 604 S HA -0.161 4.502 4.470 0.323 0.000 0.224 604 S C 1.808 176.386 174.600 -0.037 0.000 1.029 604 S CA 1.213 59.453 58.200 0.067 0.000 0.988 604 S CB -0.879 62.407 63.200 0.144 0.000 0.838 604 S HN 0.561 nan 8.310 nan 0.000 0.462 605 L N 2.055 123.162 121.223 -0.193 0.000 2.093 605 L HA 0.127 4.661 4.340 0.323 0.000 0.208 605 L C 2.572 179.324 176.870 -0.198 0.000 1.085 605 L CA 2.102 56.794 54.840 -0.246 0.000 0.755 605 L CB -0.947 40.822 42.059 -0.482 0.000 0.904 605 L HN 0.522 nan 8.230 nan 0.000 0.435 606 E N -1.403 118.680 120.200 -0.194 0.000 2.106 606 E HA -0.169 4.375 4.350 0.323 0.000 0.192 606 E C 2.061 178.526 176.600 -0.226 0.000 0.984 606 E CA 1.130 57.421 56.400 -0.181 0.000 0.806 606 E CB 0.064 29.710 29.700 -0.091 0.000 0.750 606 E HN 0.523 nan 8.360 nan 0.000 0.458 607 S N 0.669 116.280 115.700 -0.147 0.000 2.355 607 S HA -0.149 4.515 4.470 0.323 0.000 0.222 607 S C 1.796 176.303 174.600 -0.155 0.000 1.031 607 S CA 0.797 58.918 58.200 -0.132 0.000 0.993 607 S CB -0.337 62.822 63.200 -0.068 0.000 0.859 607 S HN 0.228 nan 8.310 nan 0.000 0.453 608 L N 1.555 122.702 121.223 -0.127 0.000 1.991 608 L HA -0.160 4.374 4.340 0.323 0.000 0.221 608 L C 2.099 178.865 176.870 -0.173 0.000 1.079 608 L CA 1.761 56.534 54.840 -0.112 0.000 0.778 608 L CB -0.694 41.321 42.059 -0.075 0.000 0.893 608 L HN 0.296 nan 8.230 nan 0.000 0.437 609 I N -1.374 119.040 120.570 -0.261 0.000 2.394 609 I HA -0.290 4.074 4.170 0.323 0.000 0.251 609 I C 2.333 178.100 176.117 -0.584 0.000 1.136 609 I CA 1.248 62.317 61.300 -0.385 0.000 1.425 609 I CB -0.292 37.441 38.000 -0.445 0.000 1.079 609 I HN 0.389 nan 8.210 nan 0.000 0.425 610 C N 0.212 119.136 119.300 -0.626 0.000 2.419 610 C HA -0.053 4.601 4.460 0.323 0.000 0.283 610 C C 1.563 176.411 174.990 -0.236 0.000 1.373 610 C CA 0.418 59.132 59.018 -0.506 0.000 1.781 610 C CB -1.374 26.166 27.740 -0.333 0.000 1.886 610 C HN 0.417 nan 8.230 nan 0.000 0.520 611 E N 0.451 120.540 120.200 -0.184 0.000 3.582 611 E HA 0.195 4.738 4.350 0.323 0.000 0.217 611 E C 0.158 176.710 176.600 -0.081 0.000 1.092 611 E CA -0.026 56.313 56.400 -0.102 0.000 1.365 611 E CB 0.180 29.835 29.700 -0.075 0.000 1.278 611 E HN 0.258 nan 8.360 nan 0.000 0.439 612 S N -0.102 115.546 115.700 -0.086 0.000 2.566 612 S HA 0.043 4.706 4.470 0.323 0.000 0.280 612 S C 1.408 176.001 174.600 -0.012 0.000 1.343 612 S CA -0.033 58.143 58.200 -0.039 0.000 1.036 612 S CB 0.695 63.886 63.200 -0.015 0.000 0.866 612 S HN 0.442 nan 8.310 nan 0.000 0.526 613 R N 1.361 121.864 120.500 0.005 0.000 2.091 613 R HA -0.047 4.487 4.340 0.323 0.000 0.238 613 R C -0.085 176.230 176.300 0.024 0.000 1.136 613 R CA 1.456 57.564 56.100 0.013 0.000 0.959 613 R CB -0.198 30.114 30.300 0.020 0.000 0.856 613 R HN 0.612 nan 8.270 nan 0.000 0.437 614 D N 0.523 120.948 120.400 0.042 0.000 2.343 614 D HA -0.021 4.813 4.640 0.323 0.000 0.255 614 D C 0.603 176.943 176.300 0.068 0.000 1.187 614 D CA 0.249 54.288 54.000 0.064 0.000 0.875 614 D CB 1.284 42.139 40.800 0.093 0.000 1.136 614 D HN 0.048 nan 8.370 nan 0.000 0.469 615 K N 2.990 123.428 120.400 0.062 0.000 2.152 615 K HA -0.202 4.312 4.320 0.323 0.000 0.206 615 K C 1.672 178.307 176.600 0.058 0.000 1.048 615 K CA 0.878 57.194 56.287 0.048 0.000 0.933 615 K CB -0.113 32.411 32.500 0.041 0.000 0.721 615 K HN 0.385 nan 8.250 nan 0.000 0.447 616 F N 1.637 121.560 119.950 -0.045 0.000 2.102 616 F HA -0.156 4.560 4.527 0.315 0.000 0.298 616 F C 1.734 177.489 175.800 -0.075 0.000 1.105 616 F CA 1.492 59.438 58.000 -0.089 0.000 1.239 616 F CB -0.160 38.773 39.000 -0.112 0.000 0.991 616 F HN -0.049 nan 8.300 nan 0.000 0.474 617 I N 0.181 120.775 120.570 0.040 0.000 2.163 617 I HA -0.326 4.038 4.170 0.323 0.000 0.243 617 I C 2.612 178.755 176.117 0.043 0.000 1.085 617 I CA 1.374 62.691 61.300 0.028 0.000 1.347 617 I CB -0.553 37.530 38.000 0.138 0.000 1.044 617 I HN 0.103 nan 8.210 nan 0.000 0.408 618 R N 0.749 121.255 120.500 0.010 0.000 2.096 618 R HA -0.228 4.306 4.340 0.323 0.000 0.240 618 R C 2.153 178.450 176.300 -0.004 0.000 1.139 618 R CA 1.849 57.953 56.100 0.007 0.000 0.952 618 R CB -0.471 29.820 30.300 -0.015 0.000 0.854 618 R HN 0.501 nan 8.270 nan 0.000 0.436 619 E N 0.600 120.740 120.200 -0.100 0.000 2.153 619 E HA -0.143 4.401 4.350 0.323 0.000 0.194 619 E C 2.120 178.593 176.600 -0.211 0.000 0.988 619 E CA 0.677 56.988 56.400 -0.148 0.000 0.811 619 E CB -0.085 29.502 29.700 -0.188 0.000 0.746 619 E HN 0.305 nan 8.360 nan 0.000 0.466 620 L N -0.183 120.838 121.223 -0.337 0.000 2.043 620 L HA -0.194 4.340 4.340 0.323 0.000 0.212 620 L C 1.601 178.281 176.870 -0.317 0.000 1.075 620 L CA 1.203 55.803 54.840 -0.400 0.000 0.752 620 L CB -0.276 41.487 42.059 -0.494 0.000 0.891 620 L HN 0.148 nan 8.230 nan 0.000 0.432 621 F N -0.192 119.629 119.950 -0.215 0.000 2.676 621 F HA 0.087 4.811 4.527 0.330 0.000 0.300 621 F C 1.179 176.919 175.800 -0.100 0.000 1.160 621 F CA -0.140 57.721 58.000 -0.232 0.000 1.401 621 F CB -0.193 38.641 39.000 -0.277 0.000 1.037 621 F HN 0.238 nan 8.300 nan 0.000 0.522 641 I N 2.343 122.955 120.570 0.071 0.000 2.533 641 I HA 0.456 4.820 4.170 0.323 0.000 0.290 641 I C 0.520 176.689 176.117 0.086 0.000 1.056 641 I CA -0.959 60.389 61.300 0.079 0.000 1.057 641 I CB 2.158 40.210 38.000 0.087 0.000 1.240 641 I HN 0.353 nan 8.210 nan 0.000 0.423 642 S N 4.252 120.003 115.700 0.085 0.000 2.589 642 S HA 0.185 4.849 4.470 0.323 0.000 0.265 642 S C 1.143 175.824 174.600 0.134 0.000 1.342 642 S CA -0.705 57.546 58.200 0.085 0.000 1.005 642 S CB 1.495 64.736 63.200 0.068 0.000 0.909 642 S HN 0.394 nan 8.310 nan 0.000 0.555 643 V N 2.404 122.403 119.914 0.142 0.000 2.287 643 V HA -0.100 4.214 4.120 0.323 0.000 0.248 643 V C 2.792 179.076 176.094 0.317 0.000 1.053 643 V CA 2.410 64.844 62.300 0.224 0.000 1.027 643 V CB -1.846 30.115 31.823 0.230 0.000 0.646 643 V HN 1.070 nan 8.190 nan 0.000 0.447 644 G N -0.209 108.800 108.800 0.348 0.000 2.422 644 G HA2 -0.252 3.902 3.960 0.323 0.000 0.218 644 G HA3 -0.252 3.902 3.960 0.323 0.000 0.218 644 G C 1.459 176.557 174.900 0.330 0.000 1.146 644 G CA 0.863 46.195 45.100 0.387 0.000 0.769 644 G HN 0.509 nan 8.290 nan 0.000 0.547 645 N N 0.362 119.208 118.700 0.244 0.000 2.333 645 N HA 0.001 4.935 4.740 0.323 0.000 0.178 645 N C 2.151 177.783 175.510 0.203 0.000 1.018 645 N CA 0.527 53.702 53.050 0.209 0.000 0.882 645 N CB -0.089 38.488 38.487 0.150 0.000 0.984 645 N HN 0.353 nan 8.380 nan 0.000 0.434 646 K N 0.143 120.664 120.400 0.202 0.000 2.097 646 K HA -0.115 4.399 4.320 0.323 0.000 0.206 646 K C 1.836 178.558 176.600 0.203 0.000 1.049 646 K CA 0.816 57.209 56.287 0.177 0.000 0.933 646 K CB -0.252 32.348 32.500 0.166 0.000 0.717 646 K HN 0.070 nan 8.250 nan 0.000 0.442 647 F N 2.554 122.592 119.950 0.147 0.000 2.069 647 F HA -0.250 4.469 4.527 0.320 0.000 0.298 647 F C 2.499 178.394 175.800 0.159 0.000 1.113 647 F CA 1.688 59.776 58.000 0.146 0.000 1.214 647 F CB -0.117 38.977 39.000 0.158 0.000 0.978 647 F HN -0.121 nan 8.300 nan 0.000 0.474 648 K N -0.586 120.066 120.400 0.419 0.000 2.044 648 K HA -0.216 4.298 4.320 0.323 0.000 0.210 648 K C 1.947 178.622 176.600 0.125 0.000 1.049 648 K CA 2.243 58.734 56.287 0.340 0.000 0.927 648 K CB -0.515 32.196 32.500 0.351 0.000 0.713 648 K HN 0.275 nan 8.250 nan 0.000 0.443 649 T N 1.276 115.893 114.554 0.105 0.000 2.708 649 T HA -0.117 4.427 4.350 0.323 0.000 0.266 649 T C 1.839 176.539 174.700 -0.000 0.000 1.037 649 T CA 1.160 63.294 62.100 0.057 0.000 1.146 649 T CB -0.121 68.789 68.868 0.070 0.000 0.865 649 T HN 0.297 nan 8.240 nan 0.000 0.435 650 Q N 0.505 120.282 119.800 -0.038 0.000 2.119 650 Q HA 0.037 4.570 4.340 0.323 0.000 0.201 650 Q C 2.419 178.322 176.000 -0.163 0.000 0.972 650 Q CA 0.800 56.563 55.803 -0.067 0.000 0.847 650 Q CB -0.804 27.890 28.738 -0.074 0.000 0.903 650 Q HN 0.375 nan 8.270 nan 0.000 0.433 651 L N 1.755 122.802 121.223 -0.294 0.000 2.042 651 L HA -0.165 4.368 4.340 0.323 0.000 0.210 651 L C 1.626 178.348 176.870 -0.247 0.000 1.076 651 L CA 1.735 56.361 54.840 -0.356 0.000 0.749 651 L CB -0.743 41.055 42.059 -0.435 0.000 0.893 651 L HN 0.110 nan 8.230 nan 0.000 0.432 652 N N -0.434 118.184 118.700 -0.136 0.000 2.223 652 N HA -0.143 4.791 4.740 0.323 0.000 0.185 652 N C 1.901 177.350 175.510 -0.102 0.000 1.016 652 N CA 1.547 54.544 53.050 -0.089 0.000 0.863 652 N CB -0.325 38.156 38.487 -0.012 0.000 0.983 652 N HN 0.398 nan 8.380 nan 0.000 0.429 653 L N 0.139 121.313 121.223 -0.082 0.000 2.046 653 L HA -0.148 4.385 4.340 0.323 0.000 0.208 653 L C 2.246 179.018 176.870 -0.163 0.000 1.077 653 L CA 0.622 55.432 54.840 -0.050 0.000 0.747 653 L CB -0.461 41.628 42.059 0.050 0.000 0.896 653 L HN 0.148 nan 8.230 nan 0.000 0.432 654 L N -0.268 120.725 121.223 -0.383 0.000 2.012 654 L HA -0.218 4.316 4.340 0.323 0.000 0.210 654 L C 2.302 178.855 176.870 -0.528 0.000 1.073 654 L CA 1.817 56.202 54.840 -0.759 0.000 0.748 654 L CB -0.492 41.005 42.059 -0.935 0.000 0.891 654 L HN 0.047 nan 8.230 nan 0.000 0.431 655 L N -0.217 120.771 121.223 -0.391 0.000 2.046 655 L HA -0.189 4.345 4.340 0.323 0.000 0.208 655 L C 2.301 179.003 176.870 -0.279 0.000 1.077 655 L CA 1.574 56.197 54.840 -0.361 0.000 0.747 655 L CB -1.330 40.585 42.059 -0.240 0.000 0.896 655 L HN 0.309 nan 8.230 nan 0.000 0.432 656 D N -0.395 119.901 120.400 -0.174 0.000 2.133 656 D HA -0.247 4.587 4.640 0.323 0.000 0.195 656 D C 2.198 178.440 176.300 -0.097 0.000 0.997 656 D CA 1.253 55.196 54.000 -0.095 0.000 0.840 656 D CB 0.013 40.785 40.800 -0.048 0.000 0.947 656 D HN 0.282 nan 8.370 nan 0.000 0.452 657 K N 0.443 120.758 120.400 -0.140 0.000 1.985 657 K HA -0.095 4.419 4.320 0.323 0.000 0.210 657 K C 2.365 178.865 176.600 -0.167 0.000 1.047 657 K CA 0.802 57.025 56.287 -0.107 0.000 0.932 657 K CB -0.231 32.170 32.500 -0.165 0.000 0.716 657 K HN 0.052 nan 8.250 nan 0.000 0.439 658 L N 0.557 121.552 121.223 -0.380 0.000 2.013 658 L HA -0.223 4.311 4.340 0.323 0.000 0.212 658 L C 2.594 179.323 176.870 -0.235 0.000 1.073 658 L CA 1.483 56.044 54.840 -0.465 0.000 0.753 658 L CB -0.446 41.051 42.059 -0.937 0.000 0.890 658 L HN 0.227 nan 8.230 nan 0.000 0.432 659 R N -0.684 119.707 120.500 -0.181 0.000 2.241 659 R HA -0.069 4.465 4.340 0.323 0.000 0.224 659 R C 1.996 178.356 176.300 0.099 0.000 1.101 659 R CA 0.990 57.161 56.100 0.119 0.000 0.995 659 R CB -0.159 30.197 30.300 0.093 0.000 0.870 659 R HN 0.240 nan 8.270 nan 0.000 0.463 660 S N -0.050 115.674 115.700 0.039 0.000 2.575 660 S HA -0.001 4.663 4.470 0.323 0.000 0.215 660 S C 0.553 175.162 174.600 0.015 0.000 0.966 660 S CA 0.251 58.474 58.200 0.038 0.000 0.911 660 S CB 0.435 63.664 63.200 0.049 0.000 0.780 660 S HN 0.427 nan 8.310 nan 0.000 0.514 661 T N -1.197 113.375 114.554 0.029 0.000 2.942 661 T HA 0.711 5.255 4.350 0.323 0.000 0.289 661 T C 0.325 175.031 174.700 0.010 0.000 1.044 661 T CA -0.734 61.353 62.100 -0.022 0.000 1.023 661 T CB 1.540 70.411 68.868 0.006 0.000 1.123 661 T HN 0.044 nan 8.240 nan 0.000 0.512 662 G N -0.033 108.733 108.800 -0.057 0.000 2.483 662 G HA2 0.534 4.688 3.960 0.323 0.000 0.248 662 G HA3 0.534 4.688 3.960 0.323 0.000 0.248 662 G C -0.239 174.638 174.900 -0.038 0.000 1.248 662 G CA -0.417 44.651 45.100 -0.054 0.000 0.838 662 G HN 1.143 nan 8.290 nan 0.000 0.566 663 A N 1.507 124.293 122.820 -0.056 0.000 2.342 663 A HA 0.831 5.345 4.320 0.323 0.000 0.323 663 A C 0.077 177.458 177.584 -0.339 0.000 1.125 663 A CA -0.519 51.402 52.037 -0.192 0.000 0.785 663 A CB 1.672 20.584 19.000 -0.147 0.000 1.221 663 A HN 0.779 nan 8.150 nan 0.000 0.463 664 S N 0.095 115.511 115.700 -0.472 0.000 2.634 664 S HA 0.869 5.533 4.470 0.323 0.000 0.296 664 S C -1.302 172.905 174.600 -0.655 0.000 1.104 664 S CA -0.268 57.703 58.200 -0.383 0.000 0.920 664 S CB 0.998 64.120 63.200 -0.131 0.000 1.111 664 S HN 0.485 nan 8.310 nan 0.000 0.493 665 F N 1.025 120.969 119.950 -0.009 0.000 2.547 665 F HA 0.603 5.324 4.527 0.323 0.000 0.316 665 F C -0.361 175.419 175.800 -0.033 0.000 1.121 665 F CA -0.614 57.324 58.000 -0.103 0.000 0.911 665 F CB 1.122 39.958 39.000 -0.274 0.000 1.179 665 F HN 0.273 nan 8.300 nan 0.000 0.443 666 I N 3.976 124.616 120.570 0.117 0.000 2.509 666 I HA 0.521 4.885 4.170 0.323 0.000 0.293 666 I C -0.738 175.434 176.117 0.091 0.000 1.020 666 I CA -1.024 60.342 61.300 0.110 0.000 1.088 666 I CB 1.878 39.929 38.000 0.086 0.000 1.267 666 I HN 0.424 nan 8.210 nan 0.000 0.430 667 R N 4.611 125.175 120.500 0.106 0.000 2.320 667 R HA 0.424 4.958 4.340 0.323 0.000 0.319 667 R C -1.344 174.999 176.300 0.072 0.000 0.969 667 R CA -0.563 55.591 56.100 0.089 0.000 0.857 667 R CB 1.307 31.675 30.300 0.113 0.000 1.160 667 R HN 0.557 nan 8.270 nan 0.000 0.491 668 C N 4.159 123.490 119.300 0.052 0.000 2.452 668 C HA 0.551 5.205 4.460 0.323 0.000 0.379 668 C C 0.449 175.434 174.990 -0.007 0.000 1.275 668 C CA -0.537 58.495 59.018 0.024 0.000 2.056 668 C CB 0.029 27.781 27.740 0.020 0.000 2.506 668 C HN 0.568 nan 8.230 nan 0.000 0.560 669 I N 3.194 123.734 120.570 -0.051 0.000 2.466 669 I HA 0.366 4.730 4.170 0.323 0.000 0.289 669 I C -0.012 176.019 176.117 -0.143 0.000 1.026 669 I CA -0.516 60.726 61.300 -0.096 0.000 1.078 669 I CB 1.513 39.434 38.000 -0.130 0.000 1.249 669 I HN 0.659 nan 8.210 nan 0.000 0.429 670 K N 8.483 128.810 120.400 -0.123 0.000 2.262 670 K HA 0.363 4.877 4.320 0.323 0.000 0.282 670 K C -1.672 174.842 176.600 -0.142 0.000 1.066 670 K CA -1.384 54.845 56.287 -0.098 0.000 0.901 670 K CB 1.567 34.060 32.500 -0.013 0.000 1.089 670 K HN 0.251 nan 8.250 nan 0.000 0.476 671 P HA -0.098 nan 4.420 nan 0.000 0.225 671 P C -0.929 176.279 177.300 -0.154 0.000 1.156 671 P CA 0.919 63.846 63.100 -0.288 0.000 0.787 671 P CB 0.025 31.586 31.700 -0.232 0.000 0.802 672 N N -2.364 116.363 118.700 0.045 0.000 3.116 672 N HA 0.171 5.105 4.740 0.323 0.000 0.244 672 N C -0.202 175.364 175.510 0.094 0.000 1.485 672 N CA -0.868 52.217 53.050 0.058 0.000 0.884 672 N CB 0.017 38.607 38.487 0.173 0.000 1.415 672 N HN -0.315 nan 8.380 nan 0.000 0.524 673 L N -0.829 120.431 121.223 0.061 0.000 2.629 673 L HA 0.331 4.865 4.340 0.323 0.000 0.230 673 L C 0.591 177.468 176.870 0.012 0.000 1.151 673 L CA 0.233 55.098 54.840 0.042 0.000 0.924 673 L CB -0.196 41.880 42.059 0.029 0.000 1.137 673 L HN 0.477 nan 8.230 nan 0.000 0.457 674 K N 0.334 120.726 120.400 -0.012 0.000 2.506 674 K HA 0.331 4.845 4.320 0.323 0.000 0.204 674 K C 0.626 177.104 176.600 -0.204 0.000 1.045 674 K CA -0.269 55.979 56.287 -0.065 0.000 1.074 674 K CB 0.694 33.181 32.500 -0.022 0.000 0.842 674 K HN 0.172 nan 8.250 nan 0.000 0.514 675 M N 0.879 120.211 119.600 -0.447 0.000 2.503 675 M HA -0.194 4.480 4.480 0.323 0.000 0.199 675 M C -0.665 175.190 176.300 -0.742 0.000 0.466 675 M CA 1.002 55.637 55.300 -1.107 0.000 0.510 675 M CB -1.909 30.312 32.600 -0.632 0.000 1.858 675 M HN -0.087 nan 8.290 nan 0.000 0.799 676 T N 0.525 114.890 114.554 -0.315 0.000 2.799 676 T HA 0.443 4.987 4.350 0.323 0.000 0.286 676 T C 0.627 175.453 174.700 0.210 0.000 0.973 676 T CA -0.290 61.801 62.100 -0.015 0.000 1.035 676 T CB 1.467 70.356 68.868 0.036 0.000 0.932 676 T HN 0.478 nan 8.240 nan 0.000 0.469 677 S N 2.914 118.745 115.700 0.219 0.000 2.593 677 S HA 0.122 4.786 4.470 0.323 0.000 0.269 677 S C 0.335 175.061 174.600 0.210 0.000 1.334 677 S CA -0.550 57.769 58.200 0.198 0.000 1.015 677 S CB -0.076 63.163 63.200 0.065 0.000 0.912 677 S HN 0.891 nan 8.310 nan 0.000 0.541 678 H N -0.688 118.537 119.070 0.258 0.000 2.713 678 H HA -0.196 4.554 4.556 0.324 0.000 0.311 678 H C -0.336 175.208 175.328 0.361 0.000 1.175 678 H CA 1.434 57.600 56.048 0.196 0.000 1.143 678 H CB -2.151 27.637 29.762 0.043 0.000 1.434 678 H HN 0.934 nan 8.280 nan 0.000 0.418 679 H N -0.530 118.789 119.070 0.415 0.000 2.974 679 H HA 0.313 5.062 4.556 0.322 0.000 0.285 679 H C -1.368 174.156 175.328 0.326 0.000 1.227 679 H CA -0.739 55.500 56.048 0.318 0.000 1.569 679 H CB -0.165 29.719 29.762 0.203 0.000 1.648 679 H HN 0.226 nan 8.280 nan 0.000 0.521 680 F N 4.003 123.930 119.950 -0.038 0.000 2.404 680 F HA 0.284 5.005 4.527 0.324 0.000 0.359 680 F C -0.081 175.552 175.800 -0.278 0.000 1.134 680 F CA -0.357 57.554 58.000 -0.148 0.000 1.160 680 F CB 0.540 39.530 39.000 -0.017 0.000 1.186 680 F HN 0.393 nan 8.300 nan 0.000 0.526 681 E N 4.881 124.816 120.200 -0.442 0.000 2.001 681 E HA 0.143 4.687 4.350 0.323 0.000 0.279 681 E C 1.006 177.408 176.600 -0.331 0.000 1.045 681 E CA -0.003 56.206 56.400 -0.319 0.000 0.833 681 E CB 1.301 30.852 29.700 -0.248 0.000 1.077 681 E HN 0.967 nan 8.360 nan 0.000 0.397 682 G N 3.219 111.946 108.800 -0.122 0.000 2.491 682 G HA2 -0.342 3.812 3.960 0.323 0.000 0.218 682 G HA3 -0.342 3.812 3.960 0.323 0.000 0.218 682 G C 1.420 176.260 174.900 -0.101 0.000 1.180 682 G CA 1.044 46.114 45.100 -0.050 0.000 0.774 682 G HN 0.551 nan 8.290 nan 0.000 0.562 683 A N 0.165 122.939 122.820 -0.076 0.000 1.933 683 A HA -0.078 4.436 4.320 0.323 0.000 0.218 683 A C 2.356 179.877 177.584 -0.105 0.000 1.175 683 A CA 1.977 53.964 52.037 -0.084 0.000 0.628 683 A CB -0.388 18.581 19.000 -0.052 0.000 0.814 683 A HN 0.499 nan 8.150 nan 0.000 0.444 684 Q N -0.708 119.014 119.800 -0.131 0.000 2.119 684 Q HA -0.016 4.518 4.340 0.323 0.000 0.201 684 Q C 1.962 177.860 176.000 -0.169 0.000 0.972 684 Q CA 1.331 57.051 55.803 -0.137 0.000 0.847 684 Q CB -0.216 28.438 28.738 -0.140 0.000 0.903 684 Q HN 0.736 nan 8.270 nan 0.000 0.433 685 I N 0.168 120.585 120.570 -0.256 0.000 2.333 685 I HA -0.216 4.148 4.170 0.323 0.000 0.246 685 I C 2.152 178.183 176.117 -0.143 0.000 1.106 685 I CA 0.296 61.426 61.300 -0.284 0.000 1.411 685 I CB -0.118 37.538 38.000 -0.574 0.000 1.082 685 I HN 0.215 nan 8.210 nan 0.000 0.420 686 L N 0.595 121.757 121.223 -0.102 0.000 1.990 686 L HA -0.274 4.260 4.340 0.323 0.000 0.213 686 L C 2.677 179.534 176.870 -0.022 0.000 1.072 686 L CA 2.234 57.053 54.840 -0.035 0.000 0.755 686 L CB -0.930 41.099 42.059 -0.050 0.000 0.889 686 L HN 0.205 nan 8.230 nan 0.000 0.432 687 S N -1.393 114.284 115.700 -0.039 0.000 2.383 687 S HA -0.265 4.399 4.470 0.323 0.000 0.229 687 S C 1.938 176.541 174.600 0.005 0.000 1.030 687 S CA 1.700 59.895 58.200 -0.010 0.000 1.002 687 S CB -0.232 62.947 63.200 -0.034 0.000 0.829 687 S HN 0.709 nan 8.310 nan 0.000 0.467 688 Q N 0.221 120.008 119.800 -0.022 0.000 2.079 688 Q HA 0.050 4.584 4.340 0.323 0.000 0.200 688 Q C 2.315 178.336 176.000 0.037 0.000 0.974 688 Q CA 1.424 57.228 55.803 0.002 0.000 0.840 688 Q CB -0.284 28.433 28.738 -0.035 0.000 0.898 688 Q HN 0.515 nan 8.270 nan 0.000 0.430 689 L N 0.534 121.770 121.223 0.022 0.000 2.042 689 L HA -0.269 4.264 4.340 0.323 0.000 0.210 689 L C 2.426 179.342 176.870 0.076 0.000 1.076 689 L CA 1.406 56.276 54.840 0.052 0.000 0.749 689 L CB -0.412 41.668 42.059 0.034 0.000 0.893 689 L HN 0.315 nan 8.230 nan 0.000 0.432 690 Q N -1.056 118.779 119.800 0.057 0.000 2.016 690 Q HA -0.199 4.335 4.340 0.323 0.000 0.200 690 Q C 2.448 178.466 176.000 0.031 0.000 0.978 690 Q CA 1.857 57.687 55.803 0.045 0.000 0.833 690 Q CB -0.314 28.443 28.738 0.031 0.000 0.895 690 Q HN 0.541 nan 8.270 nan 0.000 0.427 691 C N 0.159 119.494 119.300 0.059 0.000 2.432 691 C HA -0.029 4.625 4.460 0.323 0.000 0.280 691 C C 2.542 177.684 174.990 0.254 0.000 1.353 691 C CA 0.623 59.698 59.018 0.095 0.000 1.766 691 C CB -0.644 27.232 27.740 0.226 0.000 1.924 691 C HN 0.428 nan 8.230 nan 0.000 0.509 692 S N -0.558 115.281 115.700 0.233 0.000 2.603 692 S HA 0.267 4.931 4.470 0.323 0.000 0.220 692 S C 1.680 176.483 174.600 0.339 0.000 0.967 692 S CA 0.905 59.262 58.200 0.261 0.000 0.920 692 S CB -0.018 63.286 63.200 0.173 0.000 0.773 692 S HN 0.858 nan 8.310 nan 0.000 0.529 693 G N 1.057 110.097 108.800 0.399 0.000 2.175 693 G HA2 -0.262 3.892 3.960 0.323 0.000 0.244 693 G HA3 -0.262 3.892 3.960 0.323 0.000 0.244 693 G C 0.855 175.878 174.900 0.206 0.000 0.982 693 G CA 0.440 45.755 45.100 0.358 0.000 0.641 693 G HN 0.298 nan 8.290 nan 0.000 0.527 694 M N 0.168 119.890 119.600 0.204 0.000 2.117 694 M HA 0.032 4.705 4.480 0.323 0.000 0.262 694 M C 2.743 179.073 176.300 0.050 0.000 1.065 694 M CA 1.783 57.158 55.300 0.125 0.000 1.114 694 M CB -1.106 31.571 32.600 0.128 0.000 1.361 694 M HN 0.234 nan 8.290 nan 0.000 0.408 695 V N -0.411 119.543 119.914 0.066 0.000 2.427 695 V HA -0.223 4.091 4.120 0.323 0.000 0.248 695 V C 2.368 178.486 176.094 0.041 0.000 1.051 695 V CA 1.724 64.053 62.300 0.047 0.000 1.048 695 V CB -0.894 30.964 31.823 0.058 0.000 0.666 695 V HN 0.423 nan 8.190 nan 0.000 0.456 696 S N 0.002 115.737 115.700 0.058 0.000 2.370 696 S HA -0.184 4.480 4.470 0.323 0.000 0.226 696 S C 2.030 176.589 174.600 -0.068 0.000 1.033 696 S CA 1.545 59.764 58.200 0.032 0.000 1.011 696 S CB -0.315 62.936 63.200 0.085 0.000 0.852 696 S HN 0.390 nan 8.310 nan 0.000 0.457 697 V N 2.183 121.994 119.914 -0.171 0.000 2.343 697 V HA -0.140 4.174 4.120 0.323 0.000 0.247 697 V C 2.149 178.176 176.094 -0.110 0.000 1.051 697 V CA 1.435 63.572 62.300 -0.271 0.000 1.036 697 V CB -0.711 30.825 31.823 -0.477 0.000 0.654 697 V HN 0.436 nan 8.190 nan 0.000 0.451 698 L N -0.369 120.828 121.223 -0.042 0.000 2.046 698 L HA -0.170 4.364 4.340 0.323 0.000 0.208 698 L C 2.377 179.265 176.870 0.030 0.000 1.077 698 L CA 1.512 56.358 54.840 0.008 0.000 0.747 698 L CB -0.831 41.240 42.059 0.020 0.000 0.896 698 L HN 0.338 nan 8.230 nan 0.000 0.432 699 D N 0.330 120.750 120.400 0.033 0.000 2.097 699 D HA -0.209 4.625 4.640 0.323 0.000 0.195 699 D C 2.200 178.526 176.300 0.044 0.000 0.989 699 D CA 1.103 55.134 54.000 0.052 0.000 0.827 699 D CB -0.260 40.574 40.800 0.057 0.000 0.966 699 D HN 0.250 nan 8.370 nan 0.000 0.456 700 L N 0.070 121.307 121.223 0.023 0.000 2.012 700 L HA -0.185 4.349 4.340 0.323 0.000 0.210 700 L C 2.310 179.207 176.870 0.044 0.000 1.073 700 L CA 1.225 56.091 54.840 0.043 0.000 0.748 700 L CB -0.149 41.915 42.059 0.009 0.000 0.891 700 L HN -0.010 nan 8.230 nan 0.000 0.431 701 M N -0.920 118.698 119.600 0.030 0.000 2.358 701 M HA -0.194 4.480 4.480 0.323 0.000 0.264 701 M C 1.980 178.326 176.300 0.077 0.000 1.064 701 M CA 1.117 56.456 55.300 0.065 0.000 1.093 701 M CB -0.200 32.441 32.600 0.069 0.000 1.401 701 M HN 0.328 nan 8.290 nan 0.000 0.440 702 Q N -0.432 119.407 119.800 0.064 0.000 2.364 702 Q HA -0.032 4.502 4.340 0.323 0.000 0.207 702 Q C 2.038 178.049 176.000 0.018 0.000 0.970 702 Q CA 1.425 57.261 55.803 0.054 0.000 0.888 702 Q CB -0.731 28.047 28.738 0.067 0.000 0.951 702 Q HN 0.628 nan 8.270 nan 0.000 0.469 703 G N -0.153 108.665 108.800 0.029 0.000 2.650 703 G HA2 0.122 4.276 3.960 0.323 0.000 0.214 703 G HA3 0.122 4.276 3.960 0.323 0.000 0.214 703 G C 0.839 175.692 174.900 -0.079 0.000 1.136 703 G CA 0.654 45.761 45.100 0.012 0.000 0.789 703 G HN 0.435 nan 8.290 nan 0.000 0.536 704 G N -0.296 108.459 108.800 -0.076 0.000 3.410 704 G HA2 0.496 4.650 3.960 0.323 0.000 0.189 704 G HA3 0.496 4.650 3.960 0.323 0.000 0.189 704 G C -0.899 173.637 174.900 -0.607 0.000 1.404 704 G CA -0.768 44.211 45.100 -0.202 0.000 0.898 704 G HN 0.051 nan 8.290 nan 0.000 0.650 705 F N 1.642 121.601 119.950 0.015 0.000 2.564 705 F HA 0.376 5.097 4.527 0.323 0.000 0.368 705 F C -1.616 174.315 175.800 0.218 0.000 1.127 705 F CA -1.806 56.221 58.000 0.046 0.000 1.170 705 F CB 2.514 41.474 39.000 -0.067 0.000 1.397 705 F HN 0.143 nan 8.300 nan 0.000 0.493 706 P HA 0.029 nan 4.420 nan 0.000 0.230 706 P C 0.076 177.505 177.300 0.216 0.000 1.168 706 P CA 0.535 63.774 63.100 0.232 0.000 0.793 706 P CB 0.586 32.385 31.700 0.164 0.000 0.851 707 S N 1.549 117.396 115.700 0.246 0.000 2.451 707 S HA 0.535 5.199 4.470 0.323 0.000 0.301 707 S C 0.164 174.877 174.600 0.188 0.000 1.116 707 S CA -0.538 57.806 58.200 0.241 0.000 1.093 707 S CB 1.191 64.563 63.200 0.287 0.000 1.017 707 S HN 0.150 nan 8.310 nan 0.000 0.482 708 R N 0.506 120.993 120.500 -0.022 0.000 2.663 708 R HA 0.828 5.362 4.340 0.323 0.000 0.267 708 R C -1.882 174.224 176.300 -0.323 0.000 1.038 708 R CA -1.033 54.837 56.100 -0.383 0.000 0.886 708 R CB 1.109 30.779 30.300 -1.050 0.000 1.249 708 R HN 0.579 nan 8.270 nan 0.000 0.463 709 A N 1.041 123.611 122.820 -0.417 0.000 2.486 709 A HA 0.566 5.079 4.320 0.323 0.000 0.300 709 A C -0.315 177.058 177.584 -0.352 0.000 1.048 709 A CA -0.469 51.410 52.037 -0.264 0.000 0.696 709 A CB 1.724 20.625 19.000 -0.165 0.000 1.278 709 A HN 0.948 nan 8.150 nan 0.000 0.405 710 S N 0.742 116.288 115.700 -0.256 0.000 2.584 710 S HA 0.408 5.071 4.470 0.323 0.000 0.270 710 S C 0.623 175.112 174.600 -0.186 0.000 1.346 710 S CA -0.105 57.891 58.200 -0.339 0.000 1.018 710 S CB -0.151 62.959 63.200 -0.151 0.000 0.899 710 S HN 0.566 nan 8.310 nan 0.000 0.542 711 F N 0.665 120.617 119.950 0.004 0.000 2.161 711 F HA -0.006 4.715 4.527 0.324 0.000 0.300 711 F C 2.535 178.434 175.800 0.166 0.000 1.089 711 F CA 1.836 59.889 58.000 0.089 0.000 1.282 711 F CB -1.619 37.431 39.000 0.083 0.000 1.010 711 F HN 0.852 nan 8.300 nan 0.000 0.485 712 H N 0.013 119.207 119.070 0.205 0.000 2.353 712 H HA -0.109 4.640 4.556 0.323 0.000 0.300 712 H C 2.016 177.449 175.328 0.175 0.000 1.090 712 H CA 2.161 58.306 56.048 0.161 0.000 1.327 712 H CB -0.136 29.674 29.762 0.080 0.000 1.383 712 H HN 0.335 nan 8.280 nan 0.000 0.508 713 E N -0.286 119.959 120.200 0.076 0.000 2.107 713 E HA -0.092 4.452 4.350 0.323 0.000 0.191 713 E C 2.299 178.948 176.600 0.081 0.000 0.982 713 E CA 0.967 57.382 56.400 0.025 0.000 0.809 713 E CB 0.048 29.793 29.700 0.076 0.000 0.756 713 E HN 0.455 nan 8.360 nan 0.000 0.459 714 L N -0.009 121.341 121.223 0.212 0.000 2.093 714 L HA -0.190 4.344 4.340 0.323 0.000 0.208 714 L C 2.448 179.558 176.870 0.401 0.000 1.085 714 L CA 1.099 56.180 54.840 0.402 0.000 0.755 714 L CB -0.449 41.904 42.059 0.490 0.000 0.904 714 L HN 0.230 nan 8.230 nan 0.000 0.435 715 Y N 1.390 121.762 120.300 0.121 0.000 2.128 715 Y HA -0.282 4.462 4.550 0.323 0.000 0.284 715 Y C 2.491 178.210 175.900 -0.302 0.000 1.154 715 Y CA 1.824 59.780 58.100 -0.239 0.000 1.149 715 Y CB -0.251 38.041 38.460 -0.280 0.000 0.976 715 Y HN 0.203 nan 8.280 nan 0.000 0.505 716 N N 0.026 118.555 118.700 -0.285 0.000 2.223 716 N HA -0.168 4.766 4.740 0.323 0.000 0.185 716 N C 1.765 177.078 175.510 -0.329 0.000 1.016 716 N CA 1.858 54.692 53.050 -0.360 0.000 0.863 716 N CB -0.342 37.969 38.487 -0.294 0.000 0.983 716 N HN 0.506 nan 8.380 nan 0.000 0.429 717 M N -1.130 118.293 119.600 -0.295 0.000 2.236 717 M HA -0.066 4.608 4.480 0.323 0.000 0.266 717 M C 0.833 176.778 176.300 -0.591 0.000 1.070 717 M CA 1.283 56.288 55.300 -0.493 0.000 1.137 717 M CB 0.026 32.203 32.600 -0.705 0.000 1.378 717 M HN 0.070 nan 8.290 nan 0.000 0.426 718 Y N -0.312 119.983 120.300 -0.009 0.000 2.445 718 Y HA 0.135 4.879 4.550 0.323 0.000 0.247 718 Y C 2.019 177.956 175.900 0.061 0.000 1.129 718 Y CA -0.188 57.964 58.100 0.087 0.000 1.251 718 Y CB -0.295 38.419 38.460 0.422 0.000 1.176 718 Y HN 0.164 nan 8.280 nan 0.000 0.522 719 K N 1.846 122.177 120.400 -0.115 0.000 2.152 719 K HA -0.230 4.284 4.320 0.323 0.000 0.206 719 K C 1.613 178.164 176.600 -0.082 0.000 1.048 719 K CA 1.869 58.032 56.287 -0.207 0.000 0.933 719 K CB -0.393 31.580 32.500 -0.878 0.000 0.721 719 K HN 0.384 nan 8.250 nan 0.000 0.447 720 K N 0.282 120.544 120.400 -0.229 0.000 2.211 720 K HA -0.184 4.330 4.320 0.323 0.000 0.204 720 K C 1.165 177.726 176.600 -0.065 0.000 1.047 720 K CA 1.478 57.634 56.287 -0.218 0.000 0.935 720 K CB -0.433 31.849 32.500 -0.362 0.000 0.728 720 K HN 0.406 nan 8.250 nan 0.000 0.452 721 Y N 0.297 120.668 120.300 0.117 0.000 2.466 721 Y HA 0.205 4.949 4.550 0.323 0.000 0.272 721 Y C 0.827 176.792 175.900 0.109 0.000 1.169 721 Y CA -1.099 57.067 58.100 0.111 0.000 1.285 721 Y CB 0.384 38.923 38.460 0.133 0.000 1.078 721 Y HN 0.013 nan 8.280 nan 0.000 0.523 722 M N 0.799 120.564 119.600 0.275 0.000 2.478 722 M HA 0.354 5.028 4.480 0.323 0.000 0.327 722 M C -2.436 173.966 176.300 0.170 0.000 1.187 722 M CA -2.876 52.561 55.300 0.229 0.000 1.022 722 M CB 0.277 33.083 32.600 0.343 0.000 1.629 722 M HN -0.181 nan 8.290 nan 0.000 0.461 723 P HA 0.024 nan 4.420 nan 0.000 0.267 723 P C 0.171 177.550 177.300 0.131 0.000 1.201 723 P CA 0.042 63.209 63.100 0.111 0.000 0.775 723 P CB 0.507 32.261 31.700 0.090 0.000 0.854 724 D N 1.181 121.643 120.400 0.102 0.000 2.190 724 D HA -0.177 4.656 4.640 0.323 0.000 0.200 724 D C 1.666 178.038 176.300 0.120 0.000 0.992 724 D CA 1.331 55.392 54.000 0.101 0.000 0.854 724 D CB -0.117 40.726 40.800 0.073 0.000 0.936 724 D HN 0.463 nan 8.370 nan 0.000 0.462 725 K N -0.404 120.062 120.400 0.111 0.000 2.127 725 K HA -0.180 4.334 4.320 0.323 0.000 0.208 725 K C 1.769 178.463 176.600 0.157 0.000 1.047 725 K CA 0.834 57.188 56.287 0.111 0.000 0.927 725 K CB -0.002 32.554 32.500 0.094 0.000 0.716 725 K HN 0.082 nan 8.250 nan 0.000 0.450 726 L N -0.748 120.601 121.223 0.211 0.000 2.298 726 L HA 0.085 4.619 4.340 0.323 0.000 0.209 726 L C 2.061 179.240 176.870 0.516 0.000 1.084 726 L CA 0.974 56.011 54.840 0.328 0.000 0.816 726 L CB -0.344 41.881 42.059 0.276 0.000 0.967 726 L HN 0.052 nan 8.230 nan 0.000 0.460 727 A N -0.490 122.557 122.820 0.378 0.000 2.024 727 A HA -0.194 4.320 4.320 0.323 0.000 0.220 727 A C 2.364 180.142 177.584 0.324 0.000 1.164 727 A CA 1.413 53.626 52.037 0.294 0.000 0.643 727 A CB -0.461 18.617 19.000 0.131 0.000 0.806 727 A HN 0.337 nan 8.150 nan 0.000 0.451 728 R N -0.920 119.722 120.500 0.236 0.000 2.275 728 R HA 0.210 4.744 4.340 0.323 0.000 0.199 728 R C -0.114 176.267 176.300 0.136 0.000 0.989 728 R CA -0.194 56.002 56.100 0.161 0.000 1.016 728 R CB -0.259 30.106 30.300 0.109 0.000 0.918 728 R HN 0.446 nan 8.270 nan 0.000 0.473 729 L N 2.016 123.362 121.223 0.206 0.000 2.464 729 L HA 0.010 4.544 4.340 0.323 0.000 0.264 729 L C 0.732 177.623 176.870 0.036 0.000 1.199 729 L CA -0.300 54.633 54.840 0.154 0.000 0.818 729 L CB 0.230 42.441 42.059 0.253 0.000 1.102 729 L HN 0.223 nan 8.230 nan 0.000 0.473 730 D N 1.054 121.447 120.400 -0.011 0.000 2.368 730 D HA 0.024 4.858 4.640 0.323 0.000 0.240 730 D C -2.160 174.076 176.300 -0.107 0.000 1.169 730 D CA -1.333 52.606 54.000 -0.102 0.000 0.906 730 D CB 0.968 41.737 40.800 -0.051 0.000 1.187 730 D HN 0.217 nan 8.370 nan 0.000 0.435 731 P HA -0.157 nan 4.420 nan 0.000 0.215 731 P C 1.626 178.998 177.300 0.119 0.000 1.153 731 P CA 1.401 64.473 63.100 -0.046 0.000 0.853 731 P CB -0.001 31.726 31.700 0.045 0.000 0.788 732 R N -0.461 120.004 120.500 -0.058 0.000 2.073 732 R HA -0.146 4.388 4.340 0.323 0.000 0.234 732 R C 2.032 178.241 176.300 -0.152 0.000 1.134 732 R CA 1.374 57.203 56.100 -0.451 0.000 0.952 732 R CB -1.016 29.023 30.300 -0.435 0.000 0.850 732 R HN 0.079 nan 8.270 nan 0.000 0.433 733 L N 0.338 121.554 121.223 -0.011 0.000 2.156 733 L HA -0.034 4.500 4.340 0.323 0.000 0.208 733 L C 1.898 178.864 176.870 0.161 0.000 1.095 733 L CA 1.387 56.258 54.840 0.051 0.000 0.770 733 L CB -0.730 41.353 42.059 0.040 0.000 0.914 733 L HN 0.189 nan 8.230 nan 0.000 0.439 734 F N -0.209 119.800 119.950 0.099 0.000 2.065 734 F HA -0.355 4.366 4.527 0.323 0.000 0.298 734 F C 2.508 178.450 175.800 0.237 0.000 1.112 734 F CA 2.325 60.449 58.000 0.206 0.000 1.212 734 F CB -0.698 38.504 39.000 0.336 0.000 0.975 734 F HN 0.169 nan 8.300 nan 0.000 0.476 735 C N 0.822 120.378 119.300 0.426 0.000 2.440 735 C HA -0.119 4.535 4.460 0.323 0.000 0.278 735 C C 2.699 177.882 174.990 0.321 0.000 1.295 735 C CA 0.895 60.171 59.018 0.430 0.000 1.738 735 C CB -1.077 27.005 27.740 0.569 0.000 1.987 735 C HN 0.442 nan 8.230 nan 0.000 0.492 736 K N 1.192 121.648 120.400 0.092 0.000 2.057 736 K HA -0.133 4.381 4.320 0.323 0.000 0.207 736 K C 2.303 178.838 176.600 -0.108 0.000 1.049 736 K CA 1.622 57.728 56.287 -0.301 0.000 0.931 736 K CB -0.373 32.013 32.500 -0.190 0.000 0.714 736 K HN 0.494 nan 8.250 nan 0.000 0.440 737 A N 1.541 124.378 122.820 0.029 0.000 1.865 737 A HA -0.186 4.328 4.320 0.323 0.000 0.217 737 A C 2.120 179.611 177.584 -0.155 0.000 1.191 737 A CA 1.302 53.326 52.037 -0.022 0.000 0.623 737 A CB -0.619 18.399 19.000 0.031 0.000 0.826 737 A HN 0.225 nan 8.150 nan 0.000 0.444 738 L N -1.682 119.455 121.223 -0.143 0.000 2.017 738 L HA -0.064 4.469 4.340 0.323 0.000 0.208 738 L C 2.241 179.113 176.870 0.003 0.000 1.073 738 L CA 2.150 56.924 54.840 -0.110 0.000 0.745 738 L CB -0.859 41.145 42.059 -0.091 0.000 0.894 738 L HN 0.434 nan 8.230 nan 0.000 0.432 739 F N 0.328 120.251 119.950 -0.045 0.000 2.091 739 F HA -0.324 4.397 4.527 0.323 0.000 0.299 739 F C 2.568 178.228 175.800 -0.233 0.000 1.103 739 F CA 2.250 60.220 58.000 -0.050 0.000 1.228 739 F CB -0.093 38.916 39.000 0.016 0.000 0.984 739 F HN 0.117 nan 8.300 nan 0.000 0.477 740 K N 0.643 120.946 120.400 -0.161 0.000 2.031 740 K HA -0.025 4.488 4.320 0.323 0.000 0.205 740 K C 2.065 178.415 176.600 -0.416 0.000 1.049 740 K CA 1.407 57.416 56.287 -0.463 0.000 0.939 740 K CB -0.755 31.035 32.500 -1.184 0.000 0.717 740 K HN 0.194 nan 8.250 nan 0.000 0.438 741 A N 0.760 123.370 122.820 -0.350 0.000 1.978 741 A HA -0.108 4.406 4.320 0.323 0.000 0.220 741 A C 2.085 179.510 177.584 -0.264 0.000 1.170 741 A CA 1.656 53.532 52.037 -0.269 0.000 0.636 741 A CB -0.702 18.174 19.000 -0.207 0.000 0.810 741 A HN 0.352 nan 8.150 nan 0.000 0.448 742 L N -1.249 119.803 121.223 -0.285 0.000 2.418 742 L HA 0.146 4.680 4.340 0.323 0.000 0.218 742 L C 1.523 178.210 176.870 -0.305 0.000 1.125 742 L CA 0.418 55.066 54.840 -0.320 0.000 0.835 742 L CB -0.620 41.229 42.059 -0.351 0.000 0.953 742 L HN 0.566 nan 8.230 nan 0.000 0.454 743 G N 1.695 110.316 108.800 -0.297 0.000 2.351 743 G HA2 -0.265 3.889 3.960 0.323 0.000 0.297 743 G HA3 -0.265 3.889 3.960 0.323 0.000 0.297 743 G C -0.069 174.675 174.900 -0.261 0.000 1.054 743 G CA -0.196 44.762 45.100 -0.237 0.000 1.123 743 G HN 0.203 nan 8.290 nan 0.000 0.512 744 L N 0.041 121.015 121.223 -0.416 0.000 2.397 744 L HA 0.240 4.774 4.340 0.323 0.000 0.271 744 L C 1.092 177.859 176.870 -0.171 0.000 1.148 744 L CA -0.882 53.667 54.840 -0.485 0.000 0.825 744 L CB 0.722 42.132 42.059 -1.081 0.000 1.117 744 L HN 0.465 nan 8.230 nan 0.000 0.456 745 N N 1.806 120.529 118.700 0.038 0.000 2.412 745 N HA -0.115 4.819 4.740 0.323 0.000 0.258 745 N C 1.051 176.702 175.510 0.234 0.000 1.236 745 N CA 0.225 53.367 53.050 0.155 0.000 0.882 745 N CB 0.689 39.303 38.487 0.211 0.000 1.066 745 N HN 0.687 nan 8.380 nan 0.000 0.465 746 E N 3.279 123.577 120.200 0.164 0.000 2.347 746 E HA -0.123 4.421 4.350 0.323 0.000 0.196 746 E C 1.027 177.740 176.600 0.188 0.000 1.008 746 E CA 0.793 57.304 56.400 0.184 0.000 0.852 746 E CB -0.202 29.573 29.700 0.125 0.000 0.783 746 E HN 0.732 nan 8.360 nan 0.000 0.505 747 I N 1.429 122.100 120.570 0.169 0.000 2.480 747 I HA -0.123 4.241 4.170 0.323 0.000 0.251 747 I C 1.468 177.682 176.117 0.161 0.000 1.124 747 I CA 0.797 62.185 61.300 0.148 0.000 1.444 747 I CB 0.050 38.112 38.000 0.104 0.000 1.098 747 I HN -0.027 nan 8.210 nan 0.000 0.428 748 D N -0.450 120.029 120.400 0.132 0.000 2.305 748 D HA 0.033 4.867 4.640 0.323 0.000 0.206 748 D C -0.306 175.838 176.300 -0.260 0.000 0.974 748 D CA 0.963 54.913 54.000 -0.083 0.000 0.871 748 D CB 0.338 41.019 40.800 -0.198 0.000 0.947 748 D HN 0.195 nan 8.370 nan 0.000 0.516 749 Y N -0.210 120.214 120.300 0.206 0.000 2.406 749 Y HA 0.486 5.229 4.550 0.323 0.000 0.340 749 Y C -0.155 175.869 175.900 0.206 0.000 0.975 749 Y CA -1.063 57.139 58.100 0.171 0.000 1.056 749 Y CB 1.844 40.382 38.460 0.130 0.000 1.210 749 Y HN -0.487 nan 8.280 nan 0.000 0.448 750 K N 2.765 123.238 120.400 0.122 0.000 2.507 750 K HA 0.398 4.912 4.320 0.323 0.000 0.252 750 K C -1.807 174.702 176.600 -0.153 0.000 0.943 750 K CA -0.756 55.484 56.287 -0.078 0.000 0.808 750 K CB 1.091 33.292 32.500 -0.497 0.000 1.142 750 K HN 0.556 nan 8.250 nan 0.000 0.426 751 F N 2.942 122.660 119.950 -0.386 0.000 2.368 751 F HA 0.462 5.183 4.527 0.324 0.000 0.362 751 F C 0.905 176.588 175.800 -0.195 0.000 1.137 751 F CA 0.043 57.767 58.000 -0.459 0.000 1.161 751 F CB 0.450 38.938 39.000 -0.852 0.000 1.265 751 F HN 0.626 nan 8.300 nan 0.000 0.530 752 G N 4.716 113.413 108.800 -0.171 0.000 2.510 752 G HA2 0.123 4.277 3.960 0.323 0.000 0.280 752 G HA3 0.123 4.277 3.960 0.323 0.000 0.280 752 G C 0.756 175.699 174.900 0.071 0.000 1.386 752 G CA -0.593 44.477 45.100 -0.050 0.000 1.047 752 G HN 0.676 nan 8.290 nan 0.000 0.527 753 L N -0.706 120.556 121.223 0.065 0.000 2.068 753 L HA 0.015 4.549 4.340 0.323 0.000 0.204 753 L C 2.677 179.664 176.870 0.196 0.000 1.076 753 L CA 2.223 57.139 54.840 0.126 0.000 0.753 753 L CB -0.160 41.931 42.059 0.053 0.000 0.910 753 L HN 0.742 nan 8.230 nan 0.000 0.439 754 T N -4.763 109.767 114.554 -0.039 0.000 3.043 754 T HA 0.233 4.777 4.350 0.323 0.000 0.272 754 T C 0.421 174.515 174.700 -1.010 0.000 0.990 754 T CA -0.400 61.522 62.100 -0.296 0.000 0.897 754 T CB 0.654 69.436 68.868 -0.143 0.000 1.111 754 T HN 0.061 nan 8.240 nan 0.000 0.529 755 K N 0.536 120.399 120.400 -0.896 0.000 2.556 755 K HA 0.634 5.148 4.320 0.323 0.000 0.274 755 K C -1.674 174.482 176.600 -0.740 0.000 0.966 755 K CA -0.883 54.834 56.287 -0.950 0.000 0.865 755 K CB 3.079 35.132 32.500 -0.745 0.000 1.444 755 K HN -0.084 nan 8.250 nan 0.000 0.433 756 V N 2.455 121.924 119.914 -0.741 0.000 2.465 756 V HA 0.386 4.700 4.120 0.323 0.000 0.279 756 V C -0.667 174.897 176.094 -0.883 0.000 1.045 756 V CA -0.379 61.507 62.300 -0.690 0.000 0.938 756 V CB 0.233 31.672 31.823 -0.639 0.000 0.986 756 V HN 0.502 nan 8.190 nan 0.000 0.467 757 F N 4.258 123.751 119.950 -0.763 0.000 2.443 757 F HA 0.693 5.413 4.527 0.323 0.000 0.335 757 F C -0.256 175.152 175.800 -0.654 0.000 1.104 757 F CA -0.387 57.252 58.000 -0.602 0.000 1.013 757 F CB 1.569 40.186 39.000 -0.640 0.000 1.136 757 F HN 0.302 nan 8.300 nan 0.000 0.470 758 F N 2.459 122.477 119.950 0.113 0.000 2.520 758 F HA 0.544 5.264 4.527 0.323 0.000 0.322 758 F C 0.309 176.229 175.800 0.201 0.000 1.103 758 F CA -1.225 56.823 58.000 0.079 0.000 0.926 758 F CB 1.127 40.115 39.000 -0.020 0.000 1.154 758 F HN 0.229 nan 8.300 nan 0.000 0.453 759 R N 1.663 122.324 120.500 0.269 0.000 2.827 759 R HA 0.217 4.751 4.340 0.323 0.000 0.269 759 R C -2.484 173.876 176.300 0.100 0.000 1.048 759 R CA -1.643 54.503 56.100 0.077 0.000 1.173 759 R CB -0.207 30.080 30.300 -0.022 0.000 1.070 759 R HN 0.234 nan 8.270 nan 0.000 0.498 760 P HA -0.026 nan 4.420 nan 0.000 0.264 760 P C 0.641 178.011 177.300 0.116 0.000 1.183 760 P CA 1.041 64.204 63.100 0.105 0.000 0.763 760 P CB 0.336 32.090 31.700 0.090 0.000 0.807 761 G N 2.958 111.843 108.800 0.141 0.000 2.257 761 G HA2 -0.324 3.830 3.960 0.323 0.000 0.267 761 G HA3 -0.324 3.830 3.960 0.323 0.000 0.267 761 G C 1.227 176.146 174.900 0.032 0.000 0.984 761 G CA 0.196 45.370 45.100 0.124 0.000 0.626 761 G HN 0.484 nan 8.290 nan 0.000 0.540 762 K N -0.410 120.016 120.400 0.045 0.000 2.366 762 K HA 0.225 4.739 4.320 0.323 0.000 0.198 762 K C 1.851 178.499 176.600 0.079 0.000 1.044 762 K CA 0.523 56.835 56.287 0.041 0.000 0.973 762 K CB -0.233 32.179 32.500 -0.147 0.000 0.767 762 K HN 0.443 nan 8.250 nan 0.000 0.475 763 F N 2.173 121.820 119.950 -0.506 0.000 2.163 763 F HA -0.023 4.697 4.527 0.323 0.000 0.297 763 F C 2.065 177.664 175.800 -0.334 0.000 1.094 763 F CA 0.547 57.963 58.000 -0.974 0.000 1.290 763 F CB -0.698 37.614 39.000 -1.146 0.000 1.017 763 F HN -0.030 nan 8.300 nan 0.000 0.483 764 A N 0.024 122.677 122.820 -0.279 0.000 1.908 764 A HA -0.258 4.256 4.320 0.323 0.000 0.218 764 A C 2.300 179.862 177.584 -0.038 0.000 1.181 764 A CA 1.858 53.706 52.037 -0.314 0.000 0.627 764 A CB -1.043 17.601 19.000 -0.594 0.000 0.818 764 A HN 0.518 nan 8.150 nan 0.000 0.445 765 E N -1.436 118.806 120.200 0.069 0.000 2.077 765 E HA -0.202 4.342 4.350 0.323 0.000 0.193 765 E C 1.781 178.499 176.600 0.197 0.000 0.989 765 E CA 1.228 57.719 56.400 0.152 0.000 0.800 765 E CB -0.253 29.576 29.700 0.216 0.000 0.746 765 E HN 0.597 nan 8.360 nan 0.000 0.452 766 F N 1.946 122.010 119.950 0.190 0.000 2.095 766 F HA -0.244 4.477 4.527 0.323 0.000 0.298 766 F C 1.981 177.801 175.800 0.033 0.000 1.104 766 F CA 2.301 60.391 58.000 0.149 0.000 1.232 766 F CB -0.393 38.812 39.000 0.342 0.000 0.987 766 F HN 0.080 nan 8.300 nan 0.000 0.475 767 D N -0.503 120.023 120.400 0.210 0.000 2.123 767 D HA -0.227 4.607 4.640 0.323 0.000 0.196 767 D C 2.121 178.415 176.300 -0.011 0.000 0.992 767 D CA 1.717 55.799 54.000 0.136 0.000 0.833 767 D CB -0.137 40.733 40.800 0.117 0.000 0.954 767 D HN 0.476 nan 8.370 nan 0.000 0.455 768 Q N -0.343 119.441 119.800 -0.025 0.000 2.050 768 Q HA -0.088 4.445 4.340 0.323 0.000 0.202 768 Q C 2.480 178.411 176.000 -0.115 0.000 0.980 768 Q CA 1.238 57.015 55.803 -0.044 0.000 0.840 768 Q CB -0.104 28.630 28.738 -0.007 0.000 0.898 768 Q HN 0.413 nan 8.270 nan 0.000 0.424 769 I N 0.214 120.683 120.570 -0.168 0.000 2.185 769 I HA -0.323 4.040 4.170 0.323 0.000 0.246 769 I C 2.044 177.957 176.117 -0.339 0.000 1.088 769 I CA 0.933 62.079 61.300 -0.258 0.000 1.347 769 I CB -0.257 37.527 38.000 -0.360 0.000 1.041 769 I HN 0.339 nan 8.210 nan 0.000 0.415 770 M N -0.069 119.268 119.600 -0.438 0.000 2.460 770 M HA -0.135 4.539 4.480 0.323 0.000 0.263 770 M C 1.860 177.948 176.300 -0.355 0.000 1.071 770 M CA 1.647 56.702 55.300 -0.409 0.000 1.096 770 M CB -0.856 31.480 32.600 -0.439 0.000 1.408 770 M HN 0.239 nan 8.290 nan 0.000 0.463 771 K N -1.130 119.120 120.400 -0.250 0.000 2.399 771 K HA 0.103 4.617 4.320 0.323 0.000 0.196 771 K C 1.804 178.297 176.600 -0.179 0.000 1.103 771 K CA 0.627 56.770 56.287 -0.240 0.000 0.986 771 K CB 0.429 32.876 32.500 -0.088 0.000 0.952 771 K HN 0.261 nan 8.250 nan 0.000 0.541 772 S N 0.365 115.982 115.700 -0.137 0.000 2.528 772 S HA -0.018 4.646 4.470 0.323 0.000 0.219 772 S C 0.274 174.831 174.600 -0.072 0.000 0.985 772 S CA 0.430 58.578 58.200 -0.086 0.000 0.914 772 S CB 0.215 63.379 63.200 -0.061 0.000 0.776 772 S HN 0.100 nan 8.310 nan 0.000 0.526 773 D N 0.625 120.974 120.400 -0.085 0.000 2.881 773 D HA 0.307 5.141 4.640 0.323 0.000 0.238 773 D C -2.608 173.662 176.300 -0.050 0.000 1.368 773 D CA -1.360 52.614 54.000 -0.042 0.000 0.871 773 D CB 1.152 41.960 40.800 0.014 0.000 1.516 773 D HN -0.103 nan 8.370 nan 0.000 0.544 774 P HA -0.086 nan 4.420 nan 0.000 0.217 774 P C 0.787 178.069 177.300 -0.030 0.000 1.148 774 P CA 0.986 64.039 63.100 -0.079 0.000 0.828 774 P CB 0.503 32.162 31.700 -0.069 0.000 0.783 775 D N -2.498 117.899 120.400 -0.004 0.000 2.123 775 D HA -0.143 4.691 4.640 0.323 0.000 0.200 775 D C 1.930 178.266 176.300 0.060 0.000 0.976 775 D CA 1.021 55.030 54.000 0.016 0.000 0.831 775 D CB -0.943 39.861 40.800 0.006 0.000 0.974 775 D HN 0.373 nan 8.370 nan 0.000 0.469 776 H N -0.092 118.940 119.070 -0.064 0.000 2.321 776 H HA -0.115 4.635 4.556 0.323 0.000 0.300 776 H C 2.167 177.446 175.328 -0.082 0.000 1.087 776 H CA 0.689 56.695 56.048 -0.070 0.000 1.319 776 H CB 0.020 29.734 29.762 -0.081 0.000 1.379 776 H HN -0.001 nan 8.280 nan 0.000 0.501 777 L N 1.210 122.383 121.223 -0.082 0.000 2.013 777 L HA -0.171 4.363 4.340 0.323 0.000 0.212 777 L C 2.627 179.437 176.870 -0.099 0.000 1.073 777 L CA 2.051 56.787 54.840 -0.173 0.000 0.753 777 L CB -1.066 40.892 42.059 -0.168 0.000 0.890 777 L HN 0.363 nan 8.230 nan 0.000 0.432 778 A N -1.032 121.765 122.820 -0.040 0.000 1.908 778 A HA -0.256 4.257 4.320 0.323 0.000 0.218 778 A C 2.258 179.837 177.584 -0.009 0.000 1.181 778 A CA 1.815 53.845 52.037 -0.013 0.000 0.627 778 A CB -0.702 18.302 19.000 0.006 0.000 0.818 778 A HN 0.561 nan 8.150 nan 0.000 0.445 779 E N 0.190 120.392 120.200 0.003 0.000 2.047 779 E HA -0.089 4.455 4.350 0.323 0.000 0.191 779 E C 1.849 178.441 176.600 -0.013 0.000 0.987 779 E CA 1.151 57.560 56.400 0.015 0.000 0.799 779 E CB -0.435 29.299 29.700 0.056 0.000 0.752 779 E HN 0.580 nan 8.360 nan 0.000 0.449 780 L N -0.379 120.806 121.223 -0.063 0.000 2.042 780 L HA -0.185 4.348 4.340 0.323 0.000 0.210 780 L C 2.402 179.213 176.870 -0.098 0.000 1.076 780 L CA 1.008 55.776 54.840 -0.120 0.000 0.749 780 L CB -0.468 41.439 42.059 -0.254 0.000 0.893 780 L HN 0.094 nan 8.230 nan 0.000 0.432 781 V N -0.297 119.566 119.914 -0.084 0.000 2.515 781 V HA -0.267 4.047 4.120 0.323 0.000 0.250 781 V C 2.524 178.612 176.094 -0.011 0.000 1.058 781 V CA 1.611 63.878 62.300 -0.056 0.000 1.064 781 V CB -0.473 31.324 31.823 -0.043 0.000 0.675 781 V HN 0.402 nan 8.190 nan 0.000 0.461 782 K N 0.320 120.720 120.400 -0.001 0.000 2.032 782 K HA -0.172 4.342 4.320 0.323 0.000 0.209 782 K C 2.316 178.935 176.600 0.032 0.000 1.048 782 K CA 1.574 57.874 56.287 0.022 0.000 0.927 782 K CB -0.122 32.390 32.500 0.020 0.000 0.712 782 K HN 0.321 nan 8.250 nan 0.000 0.441 783 R N -0.284 120.225 120.500 0.015 0.000 2.280 783 R HA -0.022 4.512 4.340 0.323 0.000 0.207 783 R C 1.811 178.136 176.300 0.042 0.000 1.043 783 R CA 0.405 56.520 56.100 0.025 0.000 1.006 783 R CB 0.133 30.435 30.300 0.003 0.000 0.885 783 R HN 0.069 nan 8.270 nan 0.000 0.467 784 V N 1.139 121.068 119.914 0.025 0.000 3.623 784 V HA -0.067 4.247 4.120 0.323 0.000 0.271 784 V C 1.418 177.607 176.094 0.159 0.000 1.248 784 V CA 0.675 63.003 62.300 0.046 0.000 1.156 784 V CB -0.295 31.497 31.823 -0.053 0.000 0.870 784 V HN 0.287 nan 8.190 nan 0.000 0.453 785 N N 0.709 119.493 118.700 0.140 0.000 2.094 785 N HA -0.270 4.664 4.740 0.323 0.000 0.191 785 N C 1.826 177.467 175.510 0.218 0.000 1.023 785 N CA 2.340 55.485 53.050 0.159 0.000 0.857 785 N CB -0.227 38.337 38.487 0.129 0.000 1.013 785 N HN 0.717 nan 8.380 nan 0.000 0.426 786 H N -1.380 117.777 119.070 0.144 0.000 2.307 786 H HA -0.080 4.670 4.556 0.323 0.000 0.303 786 H C 1.770 177.203 175.328 0.176 0.000 1.073 786 H CA 2.040 58.173 56.048 0.140 0.000 1.338 786 H CB -1.006 28.826 29.762 0.116 0.000 1.389 786 H HN 0.454 nan 8.280 nan 0.000 0.503 787 W N 0.509 121.744 121.300 -0.108 0.000 2.308 787 W HA -0.267 4.587 4.660 0.323 0.000 0.301 787 W C 2.066 178.516 176.519 -0.115 0.000 1.220 787 W CA 2.007 59.262 57.345 -0.150 0.000 1.240 787 W CB -0.349 29.074 29.460 -0.063 0.000 1.142 787 W HN 0.392 nan 8.180 nan 0.000 0.521 788 L N 0.351 121.734 121.223 0.267 0.000 2.131 788 L HA 0.016 4.550 4.340 0.323 0.000 0.206 788 L C 2.134 178.999 176.870 -0.008 0.000 1.087 788 L CA 1.761 56.696 54.840 0.158 0.000 0.767 788 L CB -0.900 41.311 42.059 0.253 0.000 0.917 788 L HN 0.079 nan 8.230 nan 0.000 0.441 789 I N -0.981 119.606 120.570 0.028 0.000 2.163 789 I HA -0.379 3.985 4.170 0.323 0.000 0.243 789 I C 2.522 178.696 176.117 0.095 0.000 1.085 789 I CA 1.551 62.888 61.300 0.061 0.000 1.347 789 I CB -0.581 37.509 38.000 0.150 0.000 1.044 789 I HN 0.359 nan 8.210 nan 0.000 0.408 790 C N -0.530 118.744 119.300 -0.042 0.000 2.436 790 C HA -0.181 4.473 4.460 0.323 0.000 0.277 790 C C 3.276 178.186 174.990 -0.134 0.000 1.241 790 C CA 1.423 60.397 59.018 -0.073 0.000 1.721 790 C CB -1.017 26.505 27.740 -0.364 0.000 2.043 790 C HN 0.539 nan 8.230 nan 0.000 0.472 791 S N -0.336 115.115 115.700 -0.415 0.000 2.400 791 S HA -0.195 4.468 4.470 0.323 0.000 0.232 791 S C 2.136 176.620 174.600 -0.194 0.000 1.025 791 S CA 1.400 59.314 58.200 -0.476 0.000 0.993 791 S CB -0.377 62.307 63.200 -0.860 0.000 0.808 791 S HN 0.616 nan 8.310 nan 0.000 0.478 792 R N -1.375 119.060 120.500 -0.108 0.000 2.119 792 R HA -0.009 4.525 4.340 0.323 0.000 0.222 792 R C 1.952 178.259 176.300 0.010 0.000 1.088 792 R CA 1.023 57.093 56.100 -0.050 0.000 0.984 792 R CB -0.236 30.029 30.300 -0.058 0.000 0.884 792 R HN 0.515 nan 8.270 nan 0.000 0.447 793 W N 1.380 122.632 121.300 -0.080 0.000 2.329 793 W HA -0.194 4.660 4.660 0.323 0.000 0.324 793 W C 2.155 178.675 176.519 0.001 0.000 1.222 793 W CA 1.451 58.772 57.345 -0.041 0.000 1.270 793 W CB -0.076 29.354 29.460 -0.051 0.000 1.167 793 W HN -0.025 nan 8.180 nan 0.000 0.467 794 K N 0.206 120.795 120.400 0.314 0.000 2.160 794 K HA -0.262 4.252 4.320 0.323 0.000 0.206 794 K C 1.837 178.610 176.600 0.287 0.000 1.047 794 K CA 1.680 58.166 56.287 0.331 0.000 0.930 794 K CB -0.379 32.212 32.500 0.153 0.000 0.720 794 K HN 0.169 nan 8.250 nan 0.000 0.450 795 K N 1.332 121.800 120.400 0.113 0.000 1.985 795 K HA -0.157 4.357 4.320 0.323 0.000 0.210 795 K C 2.114 178.779 176.600 0.107 0.000 1.047 795 K CA 1.780 58.108 56.287 0.067 0.000 0.932 795 K CB -0.081 32.418 32.500 -0.001 0.000 0.716 795 K HN 0.104 nan 8.250 nan 0.000 0.439 796 V N -0.912 119.050 119.914 0.079 0.000 2.548 796 V HA -0.174 4.139 4.120 0.323 0.000 0.249 796 V C 2.104 178.252 176.094 0.090 0.000 1.055 796 V CA 1.273 63.606 62.300 0.055 0.000 1.065 796 V CB -0.763 31.057 31.823 -0.005 0.000 0.681 796 V HN 0.350 nan 8.190 nan 0.000 0.462 797 Q N -0.358 119.532 119.800 0.150 0.000 1.948 797 Q HA -0.189 4.345 4.340 0.323 0.000 0.205 797 Q C 1.985 178.020 176.000 0.058 0.000 0.992 797 Q CA 2.559 58.427 55.803 0.108 0.000 0.849 797 Q CB -0.349 28.475 28.738 0.144 0.000 0.918 797 Q HN 0.785 nan 8.270 nan 0.000 0.421 798 W N -0.361 120.946 121.300 0.012 0.000 2.468 798 W HA -0.128 4.726 4.660 0.323 0.000 0.262 798 W C 2.366 178.880 176.519 -0.008 0.000 1.241 798 W CA 0.190 57.532 57.345 -0.006 0.000 1.232 798 W CB -0.590 28.858 29.460 -0.019 0.000 1.124 798 W HN 0.346 nan 8.180 nan 0.000 0.597 799 C N 0.187 119.599 119.300 0.186 0.000 2.467 799 C HA -0.118 4.535 4.460 0.323 0.000 0.279 799 C C 3.084 178.108 174.990 0.057 0.000 1.347 799 C CA 1.661 60.739 59.018 0.100 0.000 1.748 799 C CB -1.456 26.324 27.740 0.067 0.000 1.977 799 C HN 0.381 nan 8.230 nan 0.000 0.501 800 S N 0.902 116.624 115.700 0.038 0.000 2.345 800 S HA -0.179 4.485 4.470 0.323 0.000 0.220 800 S C 1.898 176.491 174.600 -0.011 0.000 1.031 800 S CA 1.586 59.789 58.200 0.005 0.000 0.996 800 S CB -0.933 62.263 63.200 -0.008 0.000 0.882 800 S HN 0.530 nan 8.310 nan 0.000 0.445 801 L N 2.193 123.394 121.223 -0.037 0.000 2.127 801 L HA 0.013 4.547 4.340 0.323 0.000 0.211 801 L C 2.343 179.212 176.870 -0.002 0.000 1.089 801 L CA 1.925 56.726 54.840 -0.064 0.000 0.757 801 L CB -1.428 40.527 42.059 -0.174 0.000 0.899 801 L HN 0.382 nan 8.230 nan 0.000 0.434 802 S N -1.396 114.331 115.700 0.045 0.000 2.387 802 S HA -0.086 4.578 4.470 0.323 0.000 0.226 802 S C 1.938 176.552 174.600 0.023 0.000 1.026 802 S CA 1.165 59.395 58.200 0.050 0.000 0.972 802 S CB -0.218 63.024 63.200 0.071 0.000 0.814 802 S HN 0.349 nan 8.310 nan 0.000 0.477 803 V N 1.658 121.581 119.914 0.017 0.000 2.515 803 V HA -0.081 4.233 4.120 0.323 0.000 0.250 803 V C 1.904 177.999 176.094 0.002 0.000 1.058 803 V CA 1.269 63.574 62.300 0.008 0.000 1.064 803 V CB -0.475 31.352 31.823 0.006 0.000 0.675 803 V HN 0.444 nan 8.190 nan 0.000 0.461 804 I N -0.672 119.896 120.570 -0.004 0.000 2.353 804 I HA -0.189 4.175 4.170 0.323 0.000 0.248 804 I C 2.467 178.580 176.117 -0.006 0.000 1.119 804 I CA 1.379 62.674 61.300 -0.009 0.000 1.417 804 I CB -0.200 37.788 38.000 -0.021 0.000 1.078 804 I HN 0.208 nan 8.210 nan 0.000 0.421 805 K N 0.514 120.910 120.400 -0.006 0.000 2.097 805 K HA -0.093 4.421 4.320 0.323 0.000 0.205 805 K C 2.047 178.641 176.600 -0.012 0.000 1.050 805 K CA 1.132 57.413 56.287 -0.009 0.000 0.938 805 K CB -0.024 32.472 32.500 -0.006 0.000 0.718 805 K HN 0.253 nan 8.250 nan 0.000 0.442 806 L N 0.995 122.215 121.223 -0.005 0.000 2.005 806 L HA -0.201 4.333 4.340 0.323 0.000 0.207 806 L C 2.573 179.444 176.870 0.002 0.000 1.072 806 L CA 1.319 56.156 54.840 -0.004 0.000 0.744 806 L CB -0.495 41.565 42.059 0.000 0.000 0.895 806 L HN 0.170 nan 8.230 nan 0.000 0.433 807 K N 0.349 120.752 120.400 0.005 0.000 2.077 807 K HA -0.263 4.251 4.320 0.323 0.000 0.213 807 K C 1.899 178.510 176.600 0.018 0.000 1.051 807 K CA 2.182 58.474 56.287 0.010 0.000 0.929 807 K CB -0.060 32.444 32.500 0.006 0.000 0.715 807 K HN 0.281 nan 8.250 nan 0.000 0.451 808 N N 0.845 119.556 118.700 0.018 0.000 2.142 808 N HA -0.134 4.800 4.740 0.323 0.000 0.186 808 N C 1.563 177.107 175.510 0.057 0.000 1.023 808 N CA 0.806 53.878 53.050 0.038 0.000 0.852 808 N CB -0.224 38.282 38.487 0.032 0.000 0.998 808 N HN 0.116 nan 8.380 nan 0.000 0.424 809 K N 1.292 121.701 120.400 0.016 0.000 2.103 809 K HA -0.018 4.496 4.320 0.323 0.000 0.207 809 K C 1.830 178.468 176.600 0.063 0.000 1.048 809 K CA 0.694 56.979 56.287 -0.002 0.000 0.930 809 K CB -0.366 32.105 32.500 -0.047 0.000 0.716 809 K HN 0.278 nan 8.250 nan 0.000 0.444 810 I N 0.332 120.931 120.570 0.048 0.000 2.394 810 I HA -0.226 4.138 4.170 0.323 0.000 0.251 810 I C 2.375 178.533 176.117 0.069 0.000 1.136 810 I CA 0.943 62.273 61.300 0.051 0.000 1.425 810 I CB -0.191 37.827 38.000 0.030 0.000 1.079 810 I HN 0.102 nan 8.210 nan 0.000 0.425 811 K N 0.469 120.915 120.400 0.077 0.000 2.365 811 K HA -0.183 4.331 4.320 0.323 0.000 0.199 811 K C 2.121 178.789 176.600 0.115 0.000 1.045 811 K CA 0.855 57.188 56.287 0.076 0.000 0.962 811 K CB -0.116 32.421 32.500 0.062 0.000 0.759 811 K HN 0.246 nan 8.250 nan 0.000 0.469 812 Y N 1.053 121.352 120.300 -0.002 0.000 2.274 812 Y HA -0.208 4.536 4.550 0.323 0.000 0.290 812 Y C 2.010 177.909 175.900 -0.002 0.000 1.145 812 Y CA 1.199 59.298 58.100 -0.002 0.000 1.203 812 Y CB 0.151 38.611 38.460 -0.001 0.000 0.984 812 Y HN 0.047 nan 8.280 nan 0.000 0.533 813 R N 0.448 121.005 120.500 0.096 0.000 2.174 813 R HA -0.233 4.301 4.340 0.323 0.000 0.253 813 R C 1.270 177.549 176.300 -0.035 0.000 1.165 813 R CA 0.610 56.724 56.100 0.023 0.000 0.984 813 R CB -0.604 29.715 30.300 0.032 0.000 0.873 813 R HN 0.289 nan 8.270 nan 0.000 0.456 814 A N 0.000 122.793 122.820 -0.045 0.000 2.254 814 A HA 0.000 4.514 4.320 0.323 0.000 0.244 814 A CA 0.000 51.997 52.037 -0.067 0.000 0.836 814 A CB 0.000 18.971 19.000 -0.048 0.000 0.831 814 A HN 0.000 nan 8.150 nan 0.000 0.486