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 2uxt_1_A DATA FIRST_RESID 30 DATA SEQUENCE QQQPLPVPPL LESRRGQPLF MTVQRAHWSF TPGTRASVWG INGRYLGPTI DATA SEQUENCE RVWKGDDVKL IYSNRLTENV SMTVAGLQVP GPLMGGPARM MSPNADWAPV DATA SEQUENCE LPIRQNAATL WYHANTPNRT AQQVYNGLAG MWLVEDEVSK SLPIPNHYGV DATA SEQUENCE DDFPVIIQDK RLDNFGTPEY NEPGSGGFVG DTLLVNGVQS PYVEVSRGWV DATA SEQUENCE RLRLLNASNS RRYQLQMNDG RPLHVISGDQ GFLPAPVSVK QLSLAPGERR DATA SEQUENCE EILVDMSNGD EVSITCXXXX XXXXXXXXXX XXSSILVSTL VLTLRPTGLL DATA SEQUENCE PXXXXSLPMR LLPTEIMAGS PIRSRDISLG DDPGINGQLW DVNRIDVTAQ DATA SEQUENCE QGTWERWTVR ADEPQAFHIE GVMFQIRNVN GAMPFPEDRG WKDTVWVDGQ DATA SEQUENCE VELLVYFGQP SWAHFPFYFN SQTLEMADRG SIGQLLVNPV PR 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 30 Q HA 0.000 nan 4.340 nan 0.000 0.214 30 Q C 0.000 176.036 176.000 0.060 0.000 1.003 30 Q CA 0.000 55.812 55.803 0.016 0.000 1.022 30 Q CB 0.000 28.744 28.738 0.009 0.000 1.108 31 Q N 2.241 122.104 119.800 0.105 0.000 2.249 31 Q HA 0.416 4.739 4.340 -0.028 0.000 0.226 31 Q C -0.594 175.580 176.000 0.289 0.000 0.983 31 Q CA -0.718 55.192 55.803 0.178 0.000 0.930 31 Q CB 1.290 30.152 28.738 0.208 0.000 1.193 31 Q HN 0.576 nan 8.270 nan 0.000 0.508 32 Q N 0.167 120.046 119.800 0.132 0.000 2.215 32 Q HA 0.462 4.786 4.340 -0.028 0.000 0.256 32 Q C -2.387 173.366 176.000 -0.411 0.000 0.972 32 Q CA -2.326 53.479 55.803 0.004 0.000 0.889 32 Q CB 0.803 29.530 28.738 -0.017 0.000 1.281 32 Q HN 0.405 nan 8.270 nan 0.000 0.456 33 P HA -0.016 nan 4.420 nan 0.000 0.271 33 P C -0.874 176.141 177.300 -0.475 0.000 1.216 33 P CA -0.474 62.079 63.100 -0.912 0.000 0.776 33 P CB 0.384 31.805 31.700 -0.465 0.000 0.881 34 L N 5.758 126.701 121.223 -0.466 0.000 2.534 34 L HA 0.247 4.570 4.340 -0.028 0.000 0.271 34 L C -2.272 174.510 176.870 -0.147 0.000 1.178 34 L CA -1.351 53.330 54.840 -0.266 0.000 0.907 34 L CB -0.728 41.148 42.059 -0.304 0.000 1.164 34 L HN 0.279 nan 8.230 nan 0.000 0.482 35 P HA 0.144 nan 4.420 nan 0.000 0.276 35 P C -1.212 176.125 177.300 0.062 0.000 1.230 35 P CA -0.175 62.946 63.100 0.035 0.000 0.776 35 P CB 0.948 32.706 31.700 0.096 0.000 0.888 36 V N 6.344 126.323 119.914 0.108 0.000 2.328 36 V HA 0.264 4.368 4.120 -0.028 0.000 0.278 36 V C -2.015 174.196 176.094 0.195 0.000 1.021 36 V CA -1.823 60.559 62.300 0.137 0.000 0.838 36 V CB 0.953 32.851 31.823 0.124 0.000 0.999 36 V HN 0.530 nan 8.190 nan 0.000 0.447 37 P HA 0.170 nan 4.420 nan 0.000 0.266 37 P C -2.497 174.961 177.300 0.264 0.000 1.195 37 P CA -0.899 62.326 63.100 0.209 0.000 0.768 37 P CB -0.068 31.750 31.700 0.198 0.000 0.838 38 P HA 0.027 nan 4.420 nan 0.000 0.268 38 P C -0.564 176.762 177.300 0.043 0.000 1.205 38 P CA -0.132 63.052 63.100 0.140 0.000 0.771 38 P CB 0.480 32.236 31.700 0.094 0.000 0.858 39 L N 4.195 125.385 121.223 -0.056 0.000 2.313 39 L HA 0.239 4.562 4.340 -0.028 0.000 0.282 39 L C -0.358 176.416 176.870 -0.160 0.000 1.092 39 L CA -0.321 54.350 54.840 -0.283 0.000 0.831 39 L CB -0.072 41.724 42.059 -0.438 0.000 1.159 39 L HN 0.219 nan 8.230 nan 0.000 0.442 40 L N 6.323 127.438 121.223 -0.179 0.000 2.294 40 L HA 0.548 4.871 4.340 -0.028 0.000 0.283 40 L C -0.550 176.201 176.870 -0.197 0.000 1.015 40 L CA 0.075 54.827 54.840 -0.147 0.000 0.831 40 L CB 0.867 42.848 42.059 -0.130 0.000 1.217 40 L HN 0.811 nan 8.230 nan 0.000 0.420 41 E N 1.892 122.008 120.200 -0.140 0.000 2.416 41 E HA 0.581 4.914 4.350 -0.028 0.000 0.273 41 E C -0.700 175.854 176.600 -0.078 0.000 0.935 41 E CA -0.321 56.002 56.400 -0.128 0.000 0.784 41 E CB 1.457 31.110 29.700 -0.078 0.000 1.301 41 E HN 0.411 nan 8.360 nan 0.000 0.454 42 S N 1.016 116.678 115.700 -0.064 0.000 2.460 42 S HA 0.239 4.692 4.470 -0.028 0.000 0.185 42 S C 1.227 175.810 174.600 -0.030 0.000 0.908 42 S CA 0.521 58.695 58.200 -0.044 0.000 0.894 42 S CB 0.056 63.223 63.200 -0.056 0.000 0.855 42 S HN 0.760 nan 8.310 nan 0.000 0.574 43 R N 0.099 120.582 120.500 -0.029 0.000 2.707 43 R HA -0.121 4.203 4.340 -0.028 0.000 0.241 43 R C 0.977 177.247 176.300 -0.050 0.000 0.746 43 R CA 1.578 57.649 56.100 -0.049 0.000 1.713 43 R CB -1.361 28.907 30.300 -0.054 0.000 1.214 43 R HN 0.541 nan 8.270 nan 0.000 0.559 44 R N 1.291 121.768 120.500 -0.037 0.000 2.363 44 R HA 0.155 4.478 4.340 -0.028 0.000 0.236 44 R C 1.191 177.473 176.300 -0.030 0.000 0.966 44 R CA 0.818 56.898 56.100 -0.033 0.000 1.100 44 R CB 0.351 30.637 30.300 -0.023 0.000 1.125 44 R HN 0.589 nan 8.270 nan 0.000 0.514 45 G N 1.253 110.032 108.800 -0.035 0.000 2.175 45 G HA2 -0.278 3.666 3.960 -0.028 0.000 0.265 45 G HA3 -0.278 3.666 3.960 -0.028 0.000 0.265 45 G C 0.175 175.052 174.900 -0.039 0.000 0.979 45 G CA 0.340 45.419 45.100 -0.036 0.000 0.663 45 G HN 0.271 nan 8.290 nan 0.000 0.533 46 Q N 0.501 120.282 119.800 -0.031 0.000 2.260 46 Q HA 0.486 4.809 4.340 -0.028 0.000 0.238 46 Q C -1.925 174.043 176.000 -0.054 0.000 0.948 46 Q CA -1.979 53.812 55.803 -0.020 0.000 0.895 46 Q CB 0.672 29.422 28.738 0.020 0.000 1.218 46 Q HN 0.347 nan 8.270 nan 0.000 0.470 47 P HA 0.145 nan 4.420 nan 0.000 0.272 47 P C -0.629 176.542 177.300 -0.215 0.000 1.223 47 P CA -0.056 62.897 63.100 -0.245 0.000 0.784 47 P CB 0.652 32.065 31.700 -0.480 0.000 0.923 48 L N 2.522 123.560 121.223 -0.309 0.000 2.265 48 L HA 0.358 4.681 4.340 -0.028 0.000 0.289 48 L C 0.127 176.805 176.870 -0.319 0.000 1.033 48 L CA -0.678 54.030 54.840 -0.220 0.000 0.814 48 L CB -0.054 41.844 42.059 -0.267 0.000 1.203 48 L HN 0.223 nan 8.230 nan 0.000 0.423 49 F N 4.273 124.134 119.950 -0.148 0.000 2.424 49 F HA 0.376 4.885 4.527 -0.029 0.000 0.356 49 F C 0.458 176.187 175.800 -0.119 0.000 1.110 49 F CA -0.265 57.660 58.000 -0.124 0.000 1.161 49 F CB 0.966 39.923 39.000 -0.072 0.000 1.115 49 F HN 0.320 nan 8.300 nan 0.000 0.507 50 M N 3.824 123.414 119.600 -0.016 0.000 2.018 50 M HA 0.229 4.693 4.480 -0.028 0.000 0.311 50 M C -0.639 175.744 176.300 0.138 0.000 0.928 50 M CA -0.333 54.978 55.300 0.017 0.000 0.911 50 M CB 1.116 33.644 32.600 -0.119 0.000 1.447 50 M HN 0.381 nan 8.290 nan 0.000 0.407 51 T N 2.742 117.373 114.554 0.128 0.000 2.733 51 T HA 0.434 4.767 4.350 -0.028 0.000 0.294 51 T C 0.458 175.217 174.700 0.099 0.000 0.956 51 T CA -0.393 61.778 62.100 0.117 0.000 0.987 51 T CB 1.147 70.066 68.868 0.085 0.000 0.920 51 T HN 0.356 nan 8.240 nan 0.000 0.470 52 V N 6.294 126.268 119.914 0.099 0.000 2.439 52 V HA 0.356 4.459 4.120 -0.028 0.000 0.271 52 V C 0.315 176.382 176.094 -0.045 0.000 1.040 52 V CA -0.023 62.306 62.300 0.049 0.000 1.002 52 V CB -0.104 31.737 31.823 0.030 0.000 1.000 52 V HN 0.978 nan 8.190 nan 0.000 0.477 53 Q N 4.196 123.958 119.800 -0.064 0.000 2.738 53 Q HA 0.553 4.876 4.340 -0.028 0.000 0.301 53 Q C -0.967 174.979 176.000 -0.089 0.000 0.901 53 Q CA -1.246 54.487 55.803 -0.116 0.000 0.756 53 Q CB 1.592 30.307 28.738 -0.038 0.000 1.463 53 Q HN 0.493 nan 8.270 nan 0.000 0.432 54 R N 0.338 120.799 120.500 -0.064 0.000 2.623 54 R HA 0.440 4.763 4.340 -0.028 0.000 0.271 54 R C -0.103 176.288 176.300 0.152 0.000 1.043 54 R CA 0.616 56.795 56.100 0.132 0.000 1.083 54 R CB 0.593 31.005 30.300 0.187 0.000 0.974 54 R HN 0.627 nan 8.270 nan 0.000 0.436 55 A N 2.713 125.660 122.820 0.211 0.000 2.386 55 A HA 0.133 4.437 4.320 -0.028 0.000 0.248 55 A C -0.436 177.310 177.584 0.270 0.000 1.082 55 A CA -0.339 51.778 52.037 0.133 0.000 0.789 55 A CB 0.126 19.230 19.000 0.174 0.000 1.025 55 A HN 0.799 nan 8.150 nan 0.000 0.490 56 H N 0.104 119.366 119.070 0.321 0.000 2.871 56 H HA -0.026 4.514 4.556 -0.026 0.000 0.355 56 H C 0.038 175.646 175.328 0.468 0.000 1.092 56 H CA -0.206 56.060 56.048 0.362 0.000 1.420 56 H CB 0.442 30.422 29.762 0.363 0.000 1.400 56 H HN 0.820 nan 8.280 nan 0.000 0.604 57 W N 0.965 122.410 121.300 0.242 0.000 2.325 57 W HA -0.219 4.427 4.660 -0.024 0.000 0.299 57 W C 2.531 179.120 176.519 0.117 0.000 1.215 57 W CA 1.418 58.843 57.345 0.132 0.000 1.244 57 W CB -1.253 28.251 29.460 0.074 0.000 1.140 57 W HN 0.607 nan 8.180 nan 0.000 0.523 58 S N -1.505 114.406 115.700 0.351 0.000 2.469 58 S HA -0.148 4.305 4.470 -0.028 0.000 0.238 58 S C 1.490 176.095 174.600 0.009 0.000 0.998 58 S CA 0.882 59.158 58.200 0.127 0.000 0.957 58 S CB -0.954 62.254 63.200 0.013 0.000 0.764 58 S HN 0.189 nan 8.310 nan 0.000 0.514 59 F N 1.579 121.651 119.950 0.204 0.000 2.678 59 F HA 0.296 4.806 4.527 -0.028 0.000 0.305 59 F C 0.658 176.523 175.800 0.108 0.000 1.090 59 F CA -0.247 57.854 58.000 0.168 0.000 1.272 59 F CB 0.526 39.639 39.000 0.187 0.000 1.060 59 F HN 0.036 nan 8.300 nan 0.000 0.576 60 T N 3.786 118.471 114.554 0.219 0.000 2.799 60 T HA 0.337 4.670 4.350 -0.028 0.000 0.286 60 T C -2.575 172.121 174.700 -0.007 0.000 0.973 60 T CA -1.297 60.823 62.100 0.033 0.000 1.035 60 T CB 1.452 70.327 68.868 0.012 0.000 0.932 60 T HN -0.158 nan 8.240 nan 0.000 0.469 61 P HA 0.436 nan 4.420 nan 0.000 0.306 61 P C 0.397 177.668 177.300 -0.049 0.000 1.399 61 P CA -0.561 62.524 63.100 -0.026 0.000 0.992 61 P CB 2.218 33.927 31.700 0.015 0.000 1.148 62 G N 1.153 109.955 108.800 0.002 0.000 2.695 62 G HA2 0.098 4.041 3.960 -0.028 0.000 0.219 62 G HA3 0.098 4.041 3.960 -0.028 0.000 0.219 62 G C -0.022 174.879 174.900 0.002 0.000 1.295 62 G CA 0.593 45.711 45.100 0.030 0.000 0.882 62 G HN 0.587 nan 8.290 nan 0.000 0.570 63 T N -1.247 113.299 114.554 -0.013 0.000 4.076 63 T HA 0.567 4.900 4.350 -0.028 0.000 0.222 63 T C 0.413 174.980 174.700 -0.222 0.000 1.008 63 T CA -0.393 61.657 62.100 -0.084 0.000 1.486 63 T CB -0.007 68.849 68.868 -0.019 0.000 0.828 63 T HN 0.267 nan 8.240 nan 0.000 0.625 64 R N 0.378 120.694 120.500 -0.305 0.000 4.335 64 R HA 0.546 4.869 4.340 -0.028 0.000 0.050 64 R C 0.230 176.301 176.300 -0.382 0.000 0.766 64 R CA 0.399 56.227 56.100 -0.452 0.000 2.101 64 R CB -0.063 29.776 30.300 -0.769 0.000 1.383 64 R HN 0.363 nan 8.270 nan 0.000 0.441 65 A N 0.878 123.542 122.820 -0.260 0.000 2.340 65 A HA 0.632 4.936 4.320 -0.028 0.000 0.268 65 A C -0.123 177.349 177.584 -0.186 0.000 1.100 65 A CA 0.048 51.976 52.037 -0.181 0.000 0.803 65 A CB 0.905 19.853 19.000 -0.087 0.000 1.043 65 A HN 0.227 nan 8.150 nan 0.000 0.488 66 S N -1.156 114.461 115.700 -0.138 0.000 2.652 66 S HA 0.627 5.080 4.470 -0.028 0.000 0.270 66 S C 0.109 174.650 174.600 -0.098 0.000 1.243 66 S CA 0.080 58.232 58.200 -0.079 0.000 0.999 66 S CB 1.054 64.284 63.200 0.049 0.000 0.973 66 S HN 1.493 nan 8.310 nan 0.000 0.544 67 V N -0.768 119.114 119.914 -0.053 0.000 3.167 67 V HA 0.786 4.889 4.120 -0.028 0.000 0.310 67 V C -1.599 174.646 176.094 0.251 0.000 1.207 67 V CA -0.946 61.265 62.300 -0.148 0.000 1.059 67 V CB 1.260 32.758 31.823 -0.542 0.000 1.079 67 V HN 0.843 nan 8.190 nan 0.000 0.446 68 W N -0.385 120.960 121.300 0.075 0.000 2.869 68 W HA 0.977 5.654 4.660 0.028 0.000 0.345 68 W C 0.516 177.140 176.519 0.176 0.000 1.191 68 W CA -0.241 57.170 57.345 0.111 0.000 1.104 68 W CB 1.500 31.018 29.460 0.096 0.000 1.471 68 W HN 1.238 nan 8.180 nan 0.000 0.612 69 G N -0.325 108.693 108.800 0.364 0.000 2.356 69 G HA2 0.410 4.353 3.960 -0.028 0.000 0.281 69 G HA3 0.410 4.353 3.960 -0.028 0.000 0.281 69 G C -2.170 172.824 174.900 0.157 0.000 1.246 69 G CA -0.904 44.336 45.100 0.234 0.000 0.889 69 G HN 0.187 nan 8.290 nan 0.000 0.486 70 I N 1.320 121.962 120.570 0.120 0.000 2.474 70 I HA 0.373 4.526 4.170 -0.028 0.000 0.294 70 I C -0.086 176.041 176.117 0.015 0.000 1.005 70 I CA -0.538 60.830 61.300 0.114 0.000 1.113 70 I CB 1.449 39.578 38.000 0.215 0.000 1.289 70 I HN 0.658 nan 8.210 nan 0.000 0.436 71 N N 4.565 123.268 118.700 0.005 0.000 2.725 71 N HA -0.208 4.515 4.740 -0.028 0.000 0.249 71 N C 0.977 176.391 175.510 -0.160 0.000 1.103 71 N CA 1.352 54.381 53.050 -0.035 0.000 0.707 71 N CB -1.149 37.338 38.487 -0.000 0.000 1.043 71 N HN 1.146 nan 8.380 nan 0.000 0.553 72 G N -1.782 106.851 108.800 -0.278 0.000 2.194 72 G HA2 -0.335 3.608 3.960 -0.028 0.000 0.236 72 G HA3 -0.335 3.608 3.960 -0.028 0.000 0.236 72 G C 0.218 174.730 174.900 -0.646 0.000 0.987 72 G CA 0.409 45.075 45.100 -0.724 0.000 0.635 72 G HN 0.558 nan 8.290 nan 0.000 0.520 73 R N -0.836 119.363 120.500 -0.502 0.000 2.553 73 R HA 0.556 4.880 4.340 -0.028 0.000 0.263 73 R C -0.314 175.912 176.300 -0.124 0.000 1.066 73 R CA -0.866 54.835 56.100 -0.664 0.000 1.135 73 R CB 0.748 30.703 30.300 -0.575 0.000 1.148 73 R HN 0.127 nan 8.270 nan 0.000 0.558 74 Y N 2.433 122.645 120.300 -0.146 0.000 2.336 74 Y HA 0.237 4.765 4.550 -0.037 0.000 0.335 74 Y C 0.410 176.313 175.900 0.004 0.000 1.046 74 Y CA -0.443 57.671 58.100 0.022 0.000 1.198 74 Y CB -0.434 38.084 38.460 0.097 0.000 1.182 74 Y HN 0.596 nan 8.280 nan 0.000 0.502 75 L N 2.954 124.228 121.223 0.085 0.000 5.621 75 L HA -0.202 4.122 4.340 -0.028 0.000 0.281 75 L C 0.433 177.333 176.870 0.050 0.000 1.106 75 L CA 0.947 55.767 54.840 -0.032 0.000 1.259 75 L CB -1.425 40.522 42.059 -0.188 0.000 2.049 75 L HN 0.869 nan 8.230 nan 0.000 0.852 76 G N -1.158 107.685 108.800 0.072 0.000 2.818 76 G HA2 0.804 4.747 3.960 -0.028 0.000 0.286 76 G HA3 0.804 4.747 3.960 -0.028 0.000 0.286 76 G C -2.952 172.057 174.900 0.182 0.000 1.364 76 G CA -0.696 44.513 45.100 0.180 0.000 0.938 76 G HN 0.463 nan 8.290 nan 0.000 0.490 77 P HA 0.234 nan 4.420 nan 0.000 0.274 77 P C -0.322 177.098 177.300 0.200 0.000 1.246 77 P CA 0.020 63.206 63.100 0.143 0.000 0.795 77 P CB 0.758 32.499 31.700 0.069 0.000 1.006 78 T N 2.139 116.753 114.554 0.100 0.000 2.723 78 T HA 0.344 4.677 4.350 -0.028 0.000 0.297 78 T C 0.656 175.288 174.700 -0.113 0.000 0.925 78 T CA -0.082 62.054 62.100 0.059 0.000 1.030 78 T CB -0.485 68.390 68.868 0.010 0.000 0.905 78 T HN 0.194 nan 8.240 nan 0.000 0.502 79 I N 3.412 123.912 120.570 -0.117 0.000 2.519 79 I HA 0.368 4.522 4.170 -0.028 0.000 0.287 79 I C 0.703 176.491 176.117 -0.548 0.000 1.047 79 I CA -0.248 60.785 61.300 -0.444 0.000 1.381 79 I CB 0.757 38.270 38.000 -0.812 0.000 1.417 79 I HN 0.367 nan 8.210 nan 0.000 0.540 80 R N 5.996 126.182 120.500 -0.524 0.000 2.502 80 R HA 0.687 5.011 4.340 -0.028 0.000 0.300 80 R C -1.480 174.574 176.300 -0.409 0.000 0.984 80 R CA -0.561 55.266 56.100 -0.455 0.000 0.882 80 R CB 1.563 31.668 30.300 -0.326 0.000 1.180 80 R HN 0.510 nan 8.270 nan 0.000 0.444 81 V N 0.451 120.106 119.914 -0.430 0.000 3.126 81 V HA 0.774 4.877 4.120 -0.028 0.000 0.314 81 V C -1.458 174.483 176.094 -0.255 0.000 1.138 81 V CA -1.142 61.027 62.300 -0.218 0.000 1.034 81 V CB 1.808 33.536 31.823 -0.159 0.000 1.075 81 V HN 0.748 nan 8.190 nan 0.000 0.442 82 W N 0.626 121.897 121.300 -0.047 0.000 2.632 82 W HA 0.625 5.269 4.660 -0.027 0.000 0.328 82 W C 0.228 176.753 176.519 0.010 0.000 1.044 82 W CA -0.610 56.726 57.345 -0.015 0.000 1.225 82 W CB 1.727 31.172 29.460 -0.024 0.000 1.396 82 W HN 0.763 nan 8.180 nan 0.000 0.499 83 K N 1.615 122.136 120.400 0.201 0.000 2.491 83 K HA 0.268 4.571 4.320 -0.028 0.000 0.279 83 K C 1.095 177.791 176.600 0.160 0.000 1.026 83 K CA 1.815 58.189 56.287 0.145 0.000 1.070 83 K CB -0.037 32.535 32.500 0.121 0.000 0.887 83 K HN 0.857 nan 8.250 nan 0.000 0.481 84 G N 3.088 111.954 108.800 0.109 0.000 2.213 84 G HA2 -0.191 3.753 3.960 -0.028 0.000 0.226 84 G HA3 -0.191 3.753 3.960 -0.028 0.000 0.226 84 G C -0.344 174.600 174.900 0.073 0.000 0.992 84 G CA 0.064 45.213 45.100 0.083 0.000 0.632 84 G HN 0.691 nan 8.290 nan 0.000 0.511 85 D N 1.254 121.712 120.400 0.097 0.000 2.329 85 D HA 0.514 5.137 4.640 -0.028 0.000 0.246 85 D C -0.349 175.980 176.300 0.048 0.000 1.111 85 D CA 0.033 54.077 54.000 0.073 0.000 0.941 85 D CB 0.801 41.661 40.800 0.100 0.000 1.169 85 D HN 0.160 nan 8.370 nan 0.000 0.441 86 D N 1.018 121.431 120.400 0.022 0.000 2.446 86 D HA 0.165 4.788 4.640 -0.028 0.000 0.251 86 D C -0.381 175.911 176.300 -0.014 0.000 1.137 86 D CA -0.392 53.611 54.000 0.005 0.000 0.890 86 D CB 1.532 42.328 40.800 -0.008 0.000 1.071 86 D HN 0.097 nan 8.370 nan 0.000 0.528 87 V N 0.740 120.650 119.914 -0.006 0.000 2.465 87 V HA 0.440 4.544 4.120 -0.028 0.000 0.279 87 V C -0.058 175.980 176.094 -0.094 0.000 1.045 87 V CA -0.523 61.753 62.300 -0.040 0.000 0.938 87 V CB 1.592 33.406 31.823 -0.016 0.000 0.986 87 V HN 0.193 nan 8.190 nan 0.000 0.467 88 K N 5.406 125.721 120.400 -0.142 0.000 2.267 88 K HA 0.574 4.877 4.320 -0.028 0.000 0.282 88 K C -1.144 175.276 176.600 -0.300 0.000 1.078 88 K CA -0.372 55.788 56.287 -0.211 0.000 0.903 88 K CB 0.921 33.302 32.500 -0.198 0.000 1.111 88 K HN 0.812 nan 8.250 nan 0.000 0.475 89 L N 6.239 127.243 121.223 -0.365 0.000 2.307 89 L HA 0.536 4.860 4.340 -0.028 0.000 0.284 89 L C -0.968 175.556 176.870 -0.576 0.000 1.023 89 L CA -0.423 54.118 54.840 -0.499 0.000 0.810 89 L CB 1.179 42.919 42.059 -0.533 0.000 1.231 89 L HN 0.708 nan 8.230 nan 0.000 0.423 90 I N 5.419 125.615 120.570 -0.623 0.000 2.437 90 I HA 0.262 4.415 4.170 -0.028 0.000 0.279 90 I C -0.986 174.947 176.117 -0.306 0.000 1.028 90 I CA -0.506 60.501 61.300 -0.488 0.000 1.142 90 I CB 0.581 38.187 38.000 -0.657 0.000 1.266 90 I HN 0.465 nan 8.210 nan 0.000 0.461 91 Y N 3.609 123.850 120.300 -0.097 0.000 2.301 91 Y HA 0.408 4.944 4.550 -0.024 0.000 0.325 91 Y C 0.810 176.749 175.900 0.065 0.000 1.203 91 Y CA 0.003 58.115 58.100 0.020 0.000 1.255 91 Y CB 1.687 40.222 38.460 0.125 0.000 1.232 91 Y HN 0.450 nan 8.280 nan 0.000 0.501 92 S N 2.712 118.564 115.700 0.253 0.000 2.614 92 S HA 0.289 4.743 4.470 -0.028 0.000 0.288 92 S C -1.499 173.173 174.600 0.120 0.000 1.137 92 S CA -0.890 57.410 58.200 0.165 0.000 0.992 92 S CB 0.618 63.903 63.200 0.141 0.000 1.026 92 S HN 0.676 nan 8.310 nan 0.000 0.486 93 N N 3.120 121.865 118.700 0.075 0.000 2.439 93 N HA 0.378 5.101 4.740 -0.028 0.000 0.249 93 N C 0.031 175.532 175.510 -0.016 0.000 1.003 93 N CA -0.486 52.572 53.050 0.013 0.000 0.942 93 N CB 0.545 39.026 38.487 -0.009 0.000 1.115 93 N HN 0.469 nan 8.380 nan 0.000 0.505 94 R N 3.175 123.649 120.500 -0.044 0.000 2.609 94 R HA 0.325 4.649 4.340 -0.028 0.000 0.326 94 R C -0.166 176.063 176.300 -0.119 0.000 1.090 94 R CA -0.225 55.844 56.100 -0.052 0.000 1.072 94 R CB -0.376 29.909 30.300 -0.024 0.000 1.330 94 R HN 0.520 nan 8.270 nan 0.000 0.572 95 L N -0.186 120.927 121.223 -0.183 0.000 2.376 95 L HA 0.326 4.650 4.340 -0.028 0.000 0.267 95 L C 1.558 178.327 176.870 -0.167 0.000 1.035 95 L CA -0.384 54.280 54.840 -0.292 0.000 0.800 95 L CB 1.331 43.066 42.059 -0.541 0.000 1.290 95 L HN 0.027 nan 8.230 nan 0.000 0.462 96 T N -3.352 111.117 114.554 -0.142 0.000 3.188 96 T HA 0.154 4.487 4.350 -0.028 0.000 0.250 96 T C 0.087 174.767 174.700 -0.033 0.000 1.077 96 T CA -0.285 61.784 62.100 -0.053 0.000 0.967 96 T CB -0.417 68.448 68.868 -0.005 0.000 1.006 96 T HN 0.694 nan 8.240 nan 0.000 0.552 97 E N 0.093 120.256 120.200 -0.062 0.000 2.433 97 E HA 0.453 4.786 4.350 -0.028 0.000 0.273 97 E C -1.311 175.263 176.600 -0.043 0.000 0.950 97 E CA -1.278 55.108 56.400 -0.023 0.000 0.796 97 E CB 0.717 30.434 29.700 0.028 0.000 1.330 97 E HN -0.114 nan 8.360 nan 0.000 0.455 98 N N -0.044 118.643 118.700 -0.022 0.000 2.441 98 N HA 0.249 4.972 4.740 -0.028 0.000 0.251 98 N C -0.953 174.536 175.510 -0.035 0.000 1.242 98 N CA 0.049 53.079 53.050 -0.032 0.000 0.898 98 N CB 1.181 39.652 38.487 -0.027 0.000 1.100 98 N HN 0.324 nan 8.380 nan 0.000 0.443 99 V N 0.541 120.423 119.914 -0.054 0.000 2.733 99 V HA 0.402 4.505 4.120 -0.028 0.000 0.306 99 V C -0.508 175.525 176.094 -0.100 0.000 1.084 99 V CA -0.865 61.399 62.300 -0.059 0.000 0.905 99 V CB 1.877 33.662 31.823 -0.064 0.000 1.010 99 V HN 0.811 nan 8.190 nan 0.000 0.424 100 S N 5.627 121.260 115.700 -0.112 0.000 2.503 100 S HA 0.891 5.345 4.470 -0.028 0.000 0.301 100 S C -0.865 173.623 174.600 -0.186 0.000 1.087 100 S CA -0.842 57.249 58.200 -0.182 0.000 1.042 100 S CB 2.004 65.104 63.200 -0.167 0.000 1.043 100 S HN 0.465 nan 8.310 nan 0.000 0.489 101 M N 2.295 121.739 119.600 -0.260 0.000 2.465 101 M HA 0.597 5.060 4.480 -0.028 0.000 0.316 101 M C -0.235 175.976 176.300 -0.150 0.000 1.121 101 M CA -0.268 54.871 55.300 -0.267 0.000 0.934 101 M CB 1.852 34.074 32.600 -0.632 0.000 1.692 101 M HN 0.957 nan 8.290 nan 0.000 0.444 102 T N 1.118 115.539 114.554 -0.220 0.000 2.896 102 T HA 0.729 5.063 4.350 -0.028 0.000 0.297 102 T C -1.501 173.015 174.700 -0.306 0.000 1.108 102 T CA -0.445 61.525 62.100 -0.216 0.000 1.004 102 T CB 1.607 70.298 68.868 -0.296 0.000 1.159 102 T HN 0.380 nan 8.240 nan 0.000 0.499 103 V N 3.321 123.056 119.914 -0.299 0.000 2.293 103 V HA 0.647 4.750 4.120 -0.028 0.000 0.275 103 V C 0.687 176.549 176.094 -0.387 0.000 1.021 103 V CA -0.994 61.055 62.300 -0.419 0.000 0.815 103 V CB 0.506 31.854 31.823 -0.792 0.000 1.025 103 V HN 1.100 nan 8.190 nan 0.000 0.448 104 A N 3.730 126.271 122.820 -0.464 0.000 2.492 104 A HA 0.547 4.850 4.320 -0.028 0.000 0.254 104 A C 1.523 179.058 177.584 -0.080 0.000 1.091 104 A CA 0.806 52.654 52.037 -0.315 0.000 0.768 104 A CB -0.233 18.434 19.000 -0.555 0.000 1.028 104 A HN 2.030 nan 8.150 nan 0.000 0.498 105 G N 0.985 109.804 108.800 0.032 0.000 2.217 105 G HA2 -0.161 3.782 3.960 -0.028 0.000 0.246 105 G HA3 -0.161 3.782 3.960 -0.028 0.000 0.246 105 G C 0.174 175.008 174.900 -0.111 0.000 0.990 105 G CA 0.260 45.364 45.100 0.006 0.000 0.627 105 G HN 1.446 nan 8.290 nan 0.000 0.522 106 L N 1.837 122.951 121.223 -0.182 0.000 2.410 106 L HA 0.470 4.793 4.340 -0.028 0.000 0.273 106 L C 0.418 177.190 176.870 -0.165 0.000 1.152 106 L CA -0.078 54.630 54.840 -0.220 0.000 0.855 106 L CB 0.693 42.531 42.059 -0.368 0.000 1.129 106 L HN 0.239 nan 8.230 nan 0.000 0.463 107 Q N 6.314 126.031 119.800 -0.137 0.000 2.490 107 Q HA 0.421 4.744 4.340 -0.028 0.000 0.226 107 Q C -0.665 175.301 176.000 -0.057 0.000 1.132 107 Q CA -0.163 55.560 55.803 -0.133 0.000 0.928 107 Q CB 0.846 29.502 28.738 -0.138 0.000 1.299 107 Q HN 0.563 nan 8.270 nan 0.000 0.528 108 V N -0.658 119.255 119.914 -0.002 0.000 3.181 108 V HA 0.719 4.822 4.120 -0.028 0.000 0.308 108 V C -2.915 173.306 176.094 0.212 0.000 1.214 108 V CA -3.037 59.308 62.300 0.075 0.000 1.053 108 V CB 1.911 33.767 31.823 0.054 0.000 1.069 108 V HN 0.236 nan 8.190 nan 0.000 0.441 109 P HA 0.256 nan 4.420 nan 0.000 0.272 109 P C 1.089 178.529 177.300 0.233 0.000 1.223 109 P CA 0.812 64.073 63.100 0.270 0.000 0.784 109 P CB 0.935 32.798 31.700 0.271 0.000 0.923 110 G N 3.347 112.132 108.800 -0.025 0.000 2.556 110 G HA2 -0.227 3.716 3.960 -0.028 0.000 0.220 110 G HA3 -0.227 3.716 3.960 -0.028 0.000 0.220 110 G C -1.030 173.935 174.900 0.108 0.000 1.156 110 G CA 1.001 45.982 45.100 -0.199 0.000 0.766 110 G HN 0.474 nan 8.290 nan 0.000 0.583 111 P HA 0.051 nan 4.420 nan 0.000 0.228 111 P C 1.386 178.725 177.300 0.065 0.000 1.151 111 P CA 0.725 63.677 63.100 -0.246 0.000 0.770 111 P CB -0.024 31.247 31.700 -0.715 0.000 0.786 112 L N -2.942 118.382 121.223 0.168 0.000 2.693 112 L HA 0.151 4.474 4.340 -0.028 0.000 0.235 112 L C 2.007 179.091 176.870 0.356 0.000 1.127 112 L CA -0.116 54.887 54.840 0.271 0.000 0.914 112 L CB -0.436 41.700 42.059 0.129 0.000 1.193 112 L HN -0.060 nan 8.230 nan 0.000 0.502 113 M N 0.197 119.984 119.600 0.312 0.000 2.066 113 M HA -0.079 4.384 4.480 -0.028 0.000 0.259 113 M C 1.872 178.342 176.300 0.283 0.000 1.074 113 M CA 2.265 57.724 55.300 0.265 0.000 1.114 113 M CB -1.072 31.685 32.600 0.261 0.000 1.306 113 M HN 0.319 nan 8.290 nan 0.000 0.411 114 G N -2.591 106.335 108.800 0.210 0.000 2.472 114 G HA2 0.495 4.439 3.960 -0.028 0.000 0.199 114 G HA3 0.495 4.439 3.960 -0.028 0.000 0.199 114 G C 0.508 175.476 174.900 0.113 0.000 1.547 114 G CA 0.695 45.878 45.100 0.138 0.000 0.701 114 G HN 0.698 nan 8.290 nan 0.000 0.623 115 G N -0.175 108.593 108.800 -0.052 0.000 2.233 115 G HA2 0.108 4.052 3.960 -0.028 0.000 0.162 115 G HA3 0.108 4.052 3.960 -0.028 0.000 0.162 115 G C -2.093 172.771 174.900 -0.059 0.000 1.327 115 G CA 0.364 45.472 45.100 0.013 0.000 1.187 115 G HN 0.271 nan 8.290 nan 0.000 0.479 116 P HA 0.078 nan 4.420 nan 0.000 0.220 116 P C 1.624 178.876 177.300 -0.080 0.000 1.148 116 P CA 2.402 65.494 63.100 -0.015 0.000 0.803 116 P CB -0.114 31.622 31.700 0.061 0.000 0.782 117 A N -0.458 122.306 122.820 -0.093 0.000 2.208 117 A HA 0.036 4.339 4.320 -0.028 0.000 0.209 117 A C 1.703 179.202 177.584 -0.142 0.000 1.161 117 A CA 0.588 52.527 52.037 -0.164 0.000 0.782 117 A CB -0.314 18.456 19.000 -0.384 0.000 0.816 117 A HN -0.020 nan 8.150 nan 0.000 0.477 118 R N -1.109 119.234 120.500 -0.262 0.000 2.659 118 R HA 0.299 4.623 4.340 -0.028 0.000 0.418 118 R C -0.244 175.709 176.300 -0.577 0.000 1.076 118 R CA -0.203 55.557 56.100 -0.566 0.000 1.093 118 R CB -0.451 29.181 30.300 -1.113 0.000 1.400 118 R HN 0.535 nan 8.270 nan 0.000 0.583 119 M N 1.061 120.476 119.600 -0.309 0.000 2.248 119 M HA 0.228 4.691 4.480 -0.028 0.000 0.337 119 M C -0.227 175.975 176.300 -0.164 0.000 1.121 119 M CA 0.635 55.803 55.300 -0.220 0.000 1.155 119 M CB 0.628 33.148 32.600 -0.133 0.000 1.514 119 M HN -0.042 nan 8.290 nan 0.000 0.452 120 M N 3.456 122.987 119.600 -0.115 0.000 2.129 120 M HA 0.269 4.732 4.480 -0.028 0.000 0.348 120 M C 0.047 176.323 176.300 -0.039 0.000 1.116 120 M CA -0.568 54.703 55.300 -0.049 0.000 1.022 120 M CB 1.544 34.142 32.600 -0.002 0.000 1.599 120 M HN 0.748 nan 8.290 nan 0.000 0.449 121 S N 3.290 118.974 115.700 -0.026 0.000 2.614 121 S HA 0.513 4.967 4.470 -0.028 0.000 0.265 121 S C -2.647 171.942 174.600 -0.018 0.000 1.303 121 S CA -1.342 56.844 58.200 -0.023 0.000 1.000 121 S CB 0.039 63.228 63.200 -0.017 0.000 0.935 121 S HN 0.369 nan 8.310 nan 0.000 0.551 122 P HA 0.181 nan 4.420 nan 0.000 0.261 122 P C -0.018 177.277 177.300 -0.008 0.000 1.183 122 P CA 0.574 63.660 63.100 -0.025 0.000 0.761 122 P CB -0.028 31.657 31.700 -0.025 0.000 0.785 123 N N -1.015 117.683 118.700 -0.003 0.000 2.965 123 N HA -0.170 4.553 4.740 -0.028 0.000 0.232 123 N C 0.106 175.634 175.510 0.029 0.000 0.913 123 N CA 1.443 54.502 53.050 0.014 0.000 0.981 123 N CB -1.554 36.940 38.487 0.011 0.000 1.077 123 N HN 0.534 nan 8.380 nan 0.000 0.589 124 A N 0.504 123.343 122.820 0.032 0.000 2.256 124 A HA 0.641 4.944 4.320 -0.028 0.000 0.318 124 A C 0.086 177.721 177.584 0.085 0.000 1.103 124 A CA 0.136 52.203 52.037 0.051 0.000 0.860 124 A CB 0.781 19.803 19.000 0.037 0.000 1.182 124 A HN 0.296 nan 8.150 nan 0.000 0.501 125 D N -2.312 118.159 120.400 0.118 0.000 2.531 125 D HA 0.579 5.202 4.640 -0.028 0.000 0.244 125 D C -1.230 175.239 176.300 0.282 0.000 1.090 125 D CA -0.299 53.809 54.000 0.179 0.000 0.989 125 D CB 0.919 41.803 40.800 0.140 0.000 1.433 125 D HN 0.617 nan 8.370 nan 0.000 0.492 126 W N 0.442 121.797 121.300 0.092 0.000 3.132 126 W HA 0.655 5.299 4.660 -0.028 0.000 0.337 126 W C -1.788 174.787 176.519 0.094 0.000 1.082 126 W CA -1.281 56.122 57.345 0.097 0.000 1.242 126 W CB 1.838 31.368 29.460 0.118 0.000 1.354 126 W HN 0.676 nan 8.180 nan 0.000 0.461 127 A N 8.301 130.989 122.820 -0.220 0.000 2.938 127 A HA 0.559 4.862 4.320 -0.028 0.000 0.344 127 A C -2.582 174.712 177.584 -0.483 0.000 1.142 127 A CA -1.171 50.647 52.037 -0.366 0.000 0.841 127 A CB 0.003 18.884 19.000 -0.199 0.000 1.083 127 A HN 0.287 nan 8.150 nan 0.000 0.479 128 P HA 0.390 nan 4.420 nan 0.000 0.279 128 P C -0.489 176.596 177.300 -0.359 0.000 1.252 128 P CA -0.231 62.517 63.100 -0.587 0.000 0.811 128 P CB 1.764 32.926 31.700 -0.897 0.000 1.035 129 V N 3.366 123.152 119.914 -0.212 0.000 2.334 129 V HA 0.256 4.359 4.120 -0.028 0.000 0.281 129 V C 0.328 176.366 176.094 -0.094 0.000 1.016 129 V CA -0.530 61.684 62.300 -0.143 0.000 0.832 129 V CB 0.849 32.610 31.823 -0.104 0.000 0.999 129 V HN 0.330 nan 8.190 nan 0.000 0.439 130 L N 7.586 128.767 121.223 -0.069 0.000 2.265 130 L HA 0.463 4.787 4.340 -0.028 0.000 0.289 130 L C -2.473 174.407 176.870 0.016 0.000 1.033 130 L CA -1.758 53.071 54.840 -0.018 0.000 0.814 130 L CB 1.542 43.606 42.059 0.009 0.000 1.203 130 L HN 0.389 nan 8.230 nan 0.000 0.423 131 P HA 0.172 nan 4.420 nan 0.000 0.284 131 P C -0.540 176.785 177.300 0.042 0.000 1.343 131 P CA -0.302 62.814 63.100 0.027 0.000 0.826 131 P CB 0.324 32.038 31.700 0.023 0.000 0.956 132 I N 5.176 125.784 120.570 0.064 0.000 2.363 132 I HA 0.160 4.313 4.170 -0.028 0.000 0.292 132 I C 1.399 177.552 176.117 0.059 0.000 1.075 132 I CA 0.257 61.605 61.300 0.080 0.000 1.333 132 I CB 0.144 38.217 38.000 0.121 0.000 1.415 132 I HN 0.316 nan 8.210 nan 0.000 0.502 133 R N 4.098 124.620 120.500 0.037 0.000 2.517 133 R HA 0.119 4.443 4.340 -0.028 0.000 0.265 133 R C 0.573 176.878 176.300 0.008 0.000 0.921 133 R CA -0.058 56.058 56.100 0.026 0.000 1.054 133 R CB 0.416 30.726 30.300 0.017 0.000 1.340 133 R HN 0.722 nan 8.270 nan 0.000 0.551 134 Q N 1.142 120.939 119.800 -0.006 0.000 2.318 134 Q HA 0.251 4.574 4.340 -0.028 0.000 0.222 134 Q C -0.500 175.493 176.000 -0.011 0.000 1.003 134 Q CA -0.589 55.193 55.803 -0.035 0.000 0.936 134 Q CB 0.682 29.381 28.738 -0.064 0.000 1.204 134 Q HN -0.183 nan 8.270 nan 0.000 0.524 135 N N 0.011 118.697 118.700 -0.022 0.000 2.326 135 N HA 0.200 4.923 4.740 -0.028 0.000 0.239 135 N C -0.560 174.941 175.510 -0.016 0.000 1.301 135 N CA 0.220 53.277 53.050 0.012 0.000 0.909 135 N CB 0.130 38.643 38.487 0.043 0.000 1.156 135 N HN 0.775 nan 8.380 nan 0.000 0.462 136 A N -0.265 122.548 122.820 -0.012 0.000 2.540 136 A HA 0.477 4.781 4.320 -0.028 0.000 0.239 136 A C 0.174 177.623 177.584 -0.225 0.000 1.061 136 A CA 0.408 52.378 52.037 -0.111 0.000 0.758 136 A CB -0.506 18.459 19.000 -0.059 0.000 0.991 136 A HN 0.798 nan 8.150 nan 0.000 0.502 137 A N 1.719 124.422 122.820 -0.194 0.000 2.586 137 A HA 0.675 4.979 4.320 -0.028 0.000 0.291 137 A C -0.324 177.212 177.584 -0.080 0.000 1.062 137 A CA -0.398 51.532 52.037 -0.179 0.000 0.666 137 A CB 0.540 19.485 19.000 -0.091 0.000 1.281 137 A HN 0.910 nan 8.150 nan 0.000 0.421 138 T N 2.194 116.716 114.554 -0.052 0.000 2.762 138 T HA 0.556 4.889 4.350 -0.028 0.000 0.303 138 T C 0.084 174.855 174.700 0.119 0.000 0.977 138 T CA 0.123 62.245 62.100 0.037 0.000 0.961 138 T CB -0.505 68.371 68.868 0.012 0.000 0.944 138 T HN 0.432 nan 8.240 nan 0.000 0.481 139 L N 2.583 123.943 121.223 0.228 0.000 2.491 139 L HA 0.816 5.140 4.340 -0.028 0.000 0.264 139 L C -0.426 176.727 176.870 0.472 0.000 1.053 139 L CA -1.281 53.738 54.840 0.298 0.000 0.858 139 L CB 1.241 43.416 42.059 0.193 0.000 1.519 139 L HN 0.649 nan 8.230 nan 0.000 0.508 140 W N 0.254 121.634 121.300 0.133 0.000 3.137 140 W HA 0.521 5.159 4.660 -0.037 0.000 0.324 140 W C -2.210 174.419 176.519 0.182 0.000 1.253 140 W CA -1.442 55.996 57.345 0.156 0.000 1.183 140 W CB 0.391 29.883 29.460 0.054 0.000 1.424 140 W HN 0.476 nan 8.180 nan 0.000 0.566 141 Y N 0.441 120.823 120.300 0.135 0.000 2.524 141 Y HA 0.824 5.358 4.550 -0.028 0.000 0.344 141 Y C -0.661 175.189 175.900 -0.084 0.000 1.012 141 Y CA -1.171 56.853 58.100 -0.127 0.000 1.068 141 Y CB 1.733 40.255 38.460 0.103 0.000 1.249 141 Y HN 0.762 nan 8.280 nan 0.000 0.468 142 H N -0.219 118.759 119.070 -0.154 0.000 2.950 142 H HA 0.740 5.278 4.556 -0.030 0.000 0.307 142 H C -1.617 173.658 175.328 -0.089 0.000 1.403 142 H CA -1.080 54.867 56.048 -0.168 0.000 1.145 142 H CB 0.616 30.122 29.762 -0.426 0.000 1.844 142 H HN 1.023 nan 8.280 nan 0.000 0.515 143 A N 1.206 124.103 122.820 0.129 0.000 2.462 143 A HA 0.273 4.576 4.320 -0.028 0.000 0.243 143 A C 0.385 178.023 177.584 0.089 0.000 1.076 143 A CA 0.049 52.123 52.037 0.061 0.000 0.773 143 A CB -0.253 18.815 19.000 0.113 0.000 1.010 143 A HN 0.918 nan 8.150 nan 0.000 0.493 144 N N 0.934 119.614 118.700 -0.033 0.000 2.377 144 N HA 0.040 4.763 4.740 -0.028 0.000 0.259 144 N C -0.723 174.762 175.510 -0.042 0.000 1.332 144 N CA -0.173 52.858 53.050 -0.032 0.000 0.877 144 N CB -0.400 38.017 38.487 -0.117 0.000 1.299 144 N HN 0.305 nan 8.380 nan 0.000 0.501 145 T N 3.151 117.696 114.554 -0.015 0.000 2.822 145 T HA 0.107 4.441 4.350 -0.028 0.000 0.288 145 T C -2.520 172.192 174.700 0.020 0.000 0.991 145 T CA -0.219 61.878 62.100 -0.005 0.000 1.176 145 T CB 0.463 69.338 68.868 0.012 0.000 0.951 145 T HN 0.214 nan 8.240 nan 0.000 0.526 146 P HA 0.095 nan 4.420 nan 0.000 0.262 146 P C 0.609 177.962 177.300 0.089 0.000 1.182 146 P CA 0.201 63.375 63.100 0.124 0.000 0.761 146 P CB 0.287 32.098 31.700 0.185 0.000 0.795 147 N N 1.436 120.198 118.700 0.105 0.000 2.951 147 N HA -0.202 4.522 4.740 -0.028 0.000 0.213 147 N C 0.341 175.880 175.510 0.049 0.000 0.877 147 N CA 1.465 54.559 53.050 0.074 0.000 1.042 147 N CB -1.193 37.327 38.487 0.054 0.000 1.005 147 N HN 0.555 nan 8.380 nan 0.000 0.604 148 R N -0.537 119.987 120.500 0.039 0.000 2.565 148 R HA 0.314 4.637 4.340 -0.028 0.000 0.347 148 R C 0.901 177.207 176.300 0.010 0.000 1.010 148 R CA 0.393 56.507 56.100 0.023 0.000 1.126 148 R CB 0.324 30.653 30.300 0.047 0.000 1.331 148 R HN 0.093 nan 8.270 nan 0.000 0.552 149 T N 1.202 115.764 114.554 0.014 0.000 2.708 149 T HA -0.171 4.162 4.350 -0.028 0.000 0.266 149 T C 2.091 176.784 174.700 -0.013 0.000 1.037 149 T CA 1.770 63.881 62.100 0.019 0.000 1.146 149 T CB -0.090 68.790 68.868 0.020 0.000 0.865 149 T HN 0.372 nan 8.240 nan 0.000 0.435 150 A N 1.212 124.010 122.820 -0.038 0.000 1.908 150 A HA -0.204 4.099 4.320 -0.028 0.000 0.218 150 A C 2.273 179.665 177.584 -0.321 0.000 1.181 150 A CA 2.155 54.142 52.037 -0.084 0.000 0.627 150 A CB -0.767 18.235 19.000 0.004 0.000 0.818 150 A HN 0.488 nan 8.150 nan 0.000 0.445 151 Q N -0.466 119.068 119.800 -0.443 0.000 2.083 151 Q HA -0.133 4.190 4.340 -0.028 0.000 0.198 151 Q C 2.114 177.935 176.000 -0.298 0.000 0.969 151 Q CA 2.022 57.431 55.803 -0.657 0.000 0.838 151 Q CB -0.312 28.131 28.738 -0.491 0.000 0.900 151 Q HN 0.748 nan 8.270 nan 0.000 0.436 152 Q N -0.941 118.814 119.800 -0.074 0.000 2.123 152 Q HA -0.066 4.257 4.340 -0.028 0.000 0.199 152 Q C 2.091 178.162 176.000 0.118 0.000 0.966 152 Q CA 1.448 57.322 55.803 0.120 0.000 0.845 152 Q CB 0.202 29.071 28.738 0.219 0.000 0.907 152 Q HN 0.268 nan 8.270 nan 0.000 0.439 153 V N 0.006 119.963 119.914 0.071 0.000 2.307 153 V HA -0.263 3.840 4.120 -0.028 0.000 0.245 153 V C 1.874 178.007 176.094 0.065 0.000 1.045 153 V CA 1.740 64.097 62.300 0.094 0.000 1.024 153 V CB -0.645 31.224 31.823 0.077 0.000 0.651 153 V HN 0.375 nan 8.190 nan 0.000 0.449 154 Y N 1.876 122.096 120.300 -0.133 0.000 2.151 154 Y HA -0.270 4.284 4.550 0.007 0.000 0.284 154 Y C 2.403 178.229 175.900 -0.123 0.000 1.166 154 Y CA 2.069 60.070 58.100 -0.165 0.000 1.163 154 Y CB -0.230 38.017 38.460 -0.355 0.000 0.974 154 Y HN 0.296 nan 8.280 nan 0.000 0.511 155 N N -0.185 118.472 118.700 -0.073 0.000 2.520 155 N HA -0.004 4.720 4.740 -0.028 0.000 0.185 155 N C 1.314 176.848 175.510 0.039 0.000 1.068 155 N CA 1.439 54.349 53.050 -0.233 0.000 0.911 155 N CB -0.049 37.948 38.487 -0.816 0.000 0.961 155 N HN 0.580 nan 8.380 nan 0.000 0.446 156 G N -0.996 107.888 108.800 0.141 0.000 2.198 156 G HA2 -0.158 3.786 3.960 -0.028 0.000 0.156 156 G HA3 -0.158 3.786 3.960 -0.028 0.000 0.156 156 G C -0.173 174.857 174.900 0.217 0.000 1.012 156 G CA -0.518 44.717 45.100 0.224 0.000 0.692 156 G HN 0.204 nan 8.290 nan 0.000 0.492 157 L N 1.308 122.678 121.223 0.244 0.000 2.423 157 L HA 0.622 4.945 4.340 -0.028 0.000 0.249 157 L C 0.662 177.641 176.870 0.182 0.000 1.276 157 L CA 0.524 55.511 54.840 0.246 0.000 1.199 157 L CB -0.117 42.110 42.059 0.280 0.000 1.407 157 L HN 0.520 nan 8.230 nan 0.000 0.410 158 A N 1.003 123.884 122.820 0.101 0.000 2.608 158 A HA 0.894 5.197 4.320 -0.028 0.000 0.292 158 A C -0.551 176.879 177.584 -0.255 0.000 1.066 158 A CA -0.054 51.977 52.037 -0.010 0.000 0.676 158 A CB 1.727 20.844 19.000 0.194 0.000 1.277 158 A HN 0.456 nan 8.150 nan 0.000 0.413 159 G N -0.422 107.981 108.800 -0.661 0.000 2.559 159 G HA2 0.610 4.553 3.960 -0.028 0.000 0.291 159 G HA3 0.610 4.553 3.960 -0.028 0.000 0.291 159 G C -1.042 173.670 174.900 -0.313 0.000 1.424 159 G CA -0.272 44.482 45.100 -0.577 0.000 0.786 159 G HN 1.130 nan 8.290 nan 0.000 0.485 160 M N 0.943 120.591 119.600 0.080 0.000 2.274 160 M HA 0.636 5.100 4.480 -0.028 0.000 0.344 160 M C -1.148 175.433 176.300 0.468 0.000 1.161 160 M CA -0.777 54.681 55.300 0.264 0.000 1.126 160 M CB 1.318 34.036 32.600 0.196 0.000 1.522 160 M HN 0.593 nan 8.290 nan 0.000 0.461 161 W N 7.807 129.259 121.300 0.254 0.000 2.587 161 W HA 0.450 5.093 4.660 -0.029 0.000 0.324 161 W C -2.560 174.003 176.519 0.073 0.000 1.008 161 W CA -0.843 56.622 57.345 0.199 0.000 1.265 161 W CB 0.900 30.510 29.460 0.251 0.000 1.328 161 W HN 0.538 nan 8.180 nan 0.000 0.432 162 L N 6.519 127.726 121.223 -0.026 0.000 2.295 162 L HA 0.508 4.831 4.340 -0.028 0.000 0.285 162 L C 0.022 176.807 176.870 -0.142 0.000 1.035 162 L CA -1.115 53.694 54.840 -0.051 0.000 0.806 162 L CB 1.487 43.468 42.059 -0.131 0.000 1.214 162 L HN -0.032 nan 8.230 nan 0.000 0.426 163 V N 2.928 122.809 119.914 -0.055 0.000 2.370 163 V HA 0.362 4.465 4.120 -0.028 0.000 0.283 163 V C -0.004 175.922 176.094 -0.280 0.000 1.023 163 V CA -0.691 61.540 62.300 -0.115 0.000 0.857 163 V CB 1.594 33.432 31.823 0.024 0.000 0.985 163 V HN 0.663 nan 8.190 nan 0.000 0.443 164 E N 3.616 123.490 120.200 -0.543 0.000 2.221 164 E HA 0.630 4.963 4.350 -0.028 0.000 0.268 164 E C -1.160 175.170 176.600 -0.450 0.000 0.933 164 E CA -0.550 55.400 56.400 -0.750 0.000 0.809 164 E CB 2.702 31.358 29.700 -1.740 0.000 1.190 164 E HN 0.929 nan 8.360 nan 0.000 0.406 165 D N -1.316 118.995 120.400 -0.147 0.000 2.744 165 D HA 0.123 4.746 4.640 -0.028 0.000 0.304 165 D C 0.436 176.912 176.300 0.293 0.000 1.179 165 D CA -0.592 53.509 54.000 0.169 0.000 1.024 165 D CB 0.291 41.167 40.800 0.127 0.000 1.453 165 D HN 0.234 nan 8.370 nan 0.000 0.529 166 E N -0.713 119.643 120.200 0.261 0.000 2.153 166 E HA -0.095 4.238 4.350 -0.028 0.000 0.194 166 E C 1.863 178.552 176.600 0.149 0.000 0.988 166 E CA 1.054 57.577 56.400 0.205 0.000 0.811 166 E CB 0.037 29.815 29.700 0.131 0.000 0.746 166 E HN 0.272 nan 8.360 nan 0.000 0.466 167 V N 1.295 121.290 119.914 0.135 0.000 2.270 167 V HA -0.270 3.833 4.120 -0.028 0.000 0.245 167 V C 2.568 178.705 176.094 0.072 0.000 1.043 167 V CA 2.034 64.385 62.300 0.085 0.000 1.014 167 V CB -0.640 31.241 31.823 0.096 0.000 0.645 167 V HN 0.382 nan 8.190 nan 0.000 0.447 168 S N 0.318 116.138 115.700 0.199 0.000 2.400 168 S HA -0.279 4.174 4.470 -0.028 0.000 0.232 168 S C 1.944 176.623 174.600 0.132 0.000 1.025 168 S CA 1.816 60.159 58.200 0.238 0.000 0.993 168 S CB -0.422 62.979 63.200 0.335 0.000 0.808 168 S HN 0.451 nan 8.310 nan 0.000 0.478 169 K N 2.143 122.640 120.400 0.161 0.000 2.211 169 K HA 0.050 4.353 4.320 -0.028 0.000 0.203 169 K C 2.217 178.877 176.600 0.100 0.000 1.050 169 K CA 1.461 57.862 56.287 0.189 0.000 0.945 169 K CB -0.545 32.149 32.500 0.324 0.000 0.732 169 K HN 0.605 nan 8.250 nan 0.000 0.451 170 S N -0.604 115.131 115.700 0.058 0.000 2.503 170 S HA 0.161 4.614 4.470 -0.028 0.000 0.217 170 S C 0.661 175.244 174.600 -0.028 0.000 0.999 170 S CA -0.461 57.748 58.200 0.015 0.000 0.914 170 S CB -0.316 62.889 63.200 0.010 0.000 0.782 170 S HN 0.130 nan 8.310 nan 0.000 0.520 171 L N 2.783 123.967 121.223 -0.065 0.000 2.490 171 L HA 0.220 4.543 4.340 -0.028 0.000 0.274 171 L C -2.065 174.755 176.870 -0.083 0.000 1.201 171 L CA -1.374 53.391 54.840 -0.125 0.000 0.869 171 L CB 0.056 41.970 42.059 -0.242 0.000 1.123 171 L HN 0.119 nan 8.230 nan 0.000 0.484 172 P HA 0.167 nan 4.420 nan 0.000 0.218 172 P C -0.583 176.656 177.300 -0.101 0.000 1.793 172 P CA 0.140 63.194 63.100 -0.077 0.000 0.941 172 P CB -0.521 31.129 31.700 -0.083 0.000 1.919 173 I N -3.546 116.979 120.570 -0.075 0.000 2.957 173 I HA 0.745 4.899 4.170 -0.028 0.000 0.310 173 I C -2.780 173.345 176.117 0.014 0.000 1.063 173 I CA -3.669 57.590 61.300 -0.069 0.000 1.033 173 I CB 1.726 39.685 38.000 -0.068 0.000 1.230 173 I HN -0.316 nan 8.210 nan 0.000 0.447 174 P HA 0.183 nan 4.420 nan 0.000 0.268 174 P C -0.922 176.429 177.300 0.085 0.000 1.204 174 P CA 0.119 63.276 63.100 0.096 0.000 0.768 174 P CB 0.174 31.957 31.700 0.138 0.000 0.842 175 N N -1.286 117.469 118.700 0.091 0.000 2.162 175 N HA -0.007 4.716 4.740 -0.028 0.000 0.232 175 N C -0.489 175.098 175.510 0.128 0.000 1.361 175 N CA -0.396 52.711 53.050 0.094 0.000 0.786 175 N CB -0.501 38.037 38.487 0.085 0.000 1.290 175 N HN 0.387 nan 8.380 nan 0.000 0.505 176 H N 0.850 119.921 119.070 0.002 0.000 2.969 176 H HA 0.084 4.623 4.556 -0.028 0.000 0.269 176 H C -0.739 174.541 175.328 -0.081 0.000 1.223 176 H CA -0.997 55.048 56.048 -0.005 0.000 1.400 176 H CB 0.225 29.981 29.762 -0.009 0.000 1.500 176 H HN 0.249 nan 8.280 nan 0.000 0.486 177 Y N 4.359 124.703 120.300 0.073 0.000 2.802 177 Y HA -0.007 4.526 4.550 -0.029 0.000 0.333 177 Y C 1.341 177.102 175.900 -0.233 0.000 1.244 177 Y CA 1.675 59.710 58.100 -0.108 0.000 1.558 177 Y CB 0.093 38.532 38.460 -0.034 0.000 1.233 177 Y HN 0.998 nan 8.280 nan 0.000 0.547 178 G N 3.034 111.196 108.800 -1.064 0.000 2.179 178 G HA2 -0.279 3.665 3.960 -0.028 0.000 0.260 178 G HA3 -0.279 3.665 3.960 -0.028 0.000 0.260 178 G C 0.304 174.845 174.900 -0.599 0.000 0.977 178 G CA 0.425 45.046 45.100 -0.799 0.000 0.641 178 G HN 0.725 nan 8.290 nan 0.000 0.533 179 V N 0.138 119.607 119.914 -0.743 0.000 3.054 179 V HA 0.255 4.358 4.120 -0.028 0.000 0.227 179 V C 1.473 177.451 176.094 -0.195 0.000 1.252 179 V CA 1.832 63.904 62.300 -0.381 0.000 1.279 179 V CB 0.561 32.038 31.823 -0.576 0.000 1.118 179 V HN 0.484 nan 8.190 nan 0.000 0.504 180 D N -1.659 118.573 120.400 -0.281 0.000 2.556 180 D HA 0.185 4.808 4.640 -0.028 0.000 0.237 180 D C -0.351 175.890 176.300 -0.099 0.000 1.296 180 D CA 0.049 54.042 54.000 -0.012 0.000 0.807 180 D CB 0.449 41.303 40.800 0.091 0.000 1.084 180 D HN 0.345 nan 8.370 nan 0.000 0.510 181 D N 0.192 120.280 120.400 -0.520 0.000 2.602 181 D HA 0.337 4.960 4.640 -0.028 0.000 0.245 181 D C -1.617 174.252 176.300 -0.719 0.000 1.325 181 D CA -0.337 53.462 54.000 -0.335 0.000 0.952 181 D CB 0.620 41.344 40.800 -0.128 0.000 1.317 181 D HN -0.106 nan 8.370 nan 0.000 0.577 182 F N 2.912 122.793 119.950 -0.116 0.000 2.563 182 F HA 0.538 5.048 4.527 -0.029 0.000 0.316 182 F C -2.035 173.711 175.800 -0.090 0.000 1.076 182 F CA -2.040 55.845 58.000 -0.192 0.000 0.921 182 F CB 2.203 41.110 39.000 -0.154 0.000 1.209 182 F HN 0.035 nan 8.300 nan 0.000 0.462 183 P HA 0.286 nan 4.420 nan 0.000 0.279 183 P C -0.928 176.406 177.300 0.057 0.000 1.239 183 P CA -0.311 62.852 63.100 0.104 0.000 0.789 183 P CB 1.243 33.031 31.700 0.146 0.000 0.933 184 V N 5.264 125.180 119.914 0.004 0.000 2.320 184 V HA 0.275 4.379 4.120 -0.028 0.000 0.268 184 V C 0.090 176.122 176.094 -0.104 0.000 1.021 184 V CA -0.238 62.029 62.300 -0.054 0.000 0.813 184 V CB 0.289 32.074 31.823 -0.063 0.000 1.054 184 V HN 0.450 nan 8.190 nan 0.000 0.444 185 I N 5.239 125.744 120.570 -0.108 0.000 2.291 185 I HA 0.370 4.523 4.170 -0.028 0.000 0.292 185 I C -0.108 175.900 176.117 -0.181 0.000 1.064 185 I CA -0.006 61.203 61.300 -0.152 0.000 1.269 185 I CB 0.748 38.671 38.000 -0.129 0.000 1.418 185 I HN 0.388 nan 8.210 nan 0.000 0.485 186 I N 6.984 127.421 120.570 -0.221 0.000 2.342 186 I HA 0.324 4.477 4.170 -0.028 0.000 0.291 186 I C -0.099 175.931 176.117 -0.146 0.000 1.010 186 I CA -0.315 60.835 61.300 -0.251 0.000 1.308 186 I CB 0.827 38.549 38.000 -0.463 0.000 1.400 186 I HN 0.560 nan 8.210 nan 0.000 0.488 187 Q N 5.090 124.841 119.800 -0.082 0.000 2.315 187 Q HA 0.293 4.616 4.340 -0.028 0.000 0.273 187 Q C -1.622 174.447 176.000 0.115 0.000 1.053 187 Q CA -1.003 54.816 55.803 0.028 0.000 0.817 187 Q CB 3.027 31.728 28.738 -0.062 0.000 1.326 187 Q HN 0.623 nan 8.270 nan 0.000 0.423 188 D N 2.155 122.703 120.400 0.247 0.000 2.193 188 D HA 0.416 5.040 4.640 -0.028 0.000 0.244 188 D C -0.584 175.933 176.300 0.362 0.000 1.064 188 D CA -0.444 53.718 54.000 0.270 0.000 0.845 188 D CB 1.715 42.683 40.800 0.280 0.000 1.148 188 D HN 0.263 nan 8.370 nan 0.000 0.464 189 K N 1.795 122.385 120.400 0.318 0.000 2.372 189 K HA 0.561 4.864 4.320 -0.028 0.000 0.251 189 K C -0.213 176.634 176.600 0.412 0.000 1.055 189 K CA -1.023 55.545 56.287 0.467 0.000 0.879 189 K CB 2.264 34.885 32.500 0.201 0.000 1.384 189 K HN 0.297 nan 8.250 nan 0.000 0.465 190 R N 1.194 121.997 120.500 0.505 0.000 2.439 190 R HA 0.425 4.749 4.340 -0.028 0.000 0.310 190 R C -0.579 175.872 176.300 0.251 0.000 0.955 190 R CA -0.583 55.702 56.100 0.309 0.000 0.853 190 R CB 1.044 31.525 30.300 0.302 0.000 1.171 190 R HN 0.395 nan 8.270 nan 0.000 0.449 191 L N 2.930 124.245 121.223 0.153 0.000 2.357 191 L HA 0.263 4.587 4.340 -0.028 0.000 0.273 191 L C 0.592 177.514 176.870 0.087 0.000 1.080 191 L CA -0.792 54.118 54.840 0.116 0.000 0.803 191 L CB 0.796 42.904 42.059 0.081 0.000 1.174 191 L HN 0.630 nan 8.230 nan 0.000 0.443 192 D N 0.592 121.047 120.400 0.092 0.000 2.398 192 D HA -0.017 4.606 4.640 -0.028 0.000 0.264 192 D C 0.519 176.808 176.300 -0.018 0.000 1.263 192 D CA -0.453 53.590 54.000 0.072 0.000 1.037 192 D CB 0.259 41.149 40.800 0.150 0.000 1.101 192 D HN 0.283 nan 8.370 nan 0.000 0.551 193 N N -1.262 117.344 118.700 -0.156 0.000 2.609 193 N HA -0.019 4.704 4.740 -0.028 0.000 0.190 193 N C 0.285 175.385 175.510 -0.682 0.000 1.157 193 N CA 0.423 53.200 53.050 -0.454 0.000 0.918 193 N CB -0.247 37.870 38.487 -0.616 0.000 0.978 193 N HN 0.371 nan 8.380 nan 0.000 0.448 194 F N -1.397 118.550 119.950 -0.005 0.000 2.682 194 F HA 0.365 4.872 4.527 -0.034 0.000 0.308 194 F C 1.586 177.379 175.800 -0.010 0.000 1.093 194 F CA -0.180 57.812 58.000 -0.013 0.000 1.244 194 F CB 0.348 39.331 39.000 -0.028 0.000 1.052 194 F HN -0.035 nan 8.300 nan 0.000 0.573 195 G N 0.851 109.714 108.800 0.105 0.000 2.131 195 G HA2 -0.226 3.717 3.960 -0.028 0.000 0.223 195 G HA3 -0.226 3.717 3.960 -0.028 0.000 0.223 195 G C 0.019 174.964 174.900 0.074 0.000 0.990 195 G CA 0.062 45.207 45.100 0.074 0.000 0.671 195 G HN 0.219 nan 8.290 nan 0.000 0.521 196 T N 2.305 116.913 114.554 0.090 0.000 2.771 196 T HA 0.551 4.884 4.350 -0.028 0.000 0.281 196 T C -2.425 172.312 174.700 0.061 0.000 0.982 196 T CA -1.094 61.031 62.100 0.041 0.000 0.978 196 T CB 2.308 71.187 68.868 0.018 0.000 0.930 196 T HN 0.013 nan 8.240 nan 0.000 0.447 197 P HA 0.106 nan 4.420 nan 0.000 0.265 197 P C -0.324 177.081 177.300 0.175 0.000 1.193 197 P CA -0.033 63.131 63.100 0.107 0.000 0.765 197 P CB 0.351 32.044 31.700 -0.011 0.000 0.823 198 E N 2.474 122.849 120.200 0.290 0.000 2.312 198 E HA 0.457 4.790 4.350 -0.028 0.000 0.267 198 E C -1.687 175.069 176.600 0.261 0.000 0.894 198 E CA -0.976 55.573 56.400 0.248 0.000 0.773 198 E CB 1.461 31.249 29.700 0.147 0.000 1.241 198 E HN 0.294 nan 8.360 nan 0.000 0.432 199 Y N 1.896 122.142 120.300 -0.091 0.000 2.393 199 Y HA 0.477 4.964 4.550 -0.106 0.000 0.341 199 Y C -1.516 174.267 175.900 -0.195 0.000 0.988 199 Y CA -0.726 57.082 58.100 -0.487 0.000 1.078 199 Y CB 2.031 40.032 38.460 -0.765 0.000 1.203 199 Y HN 0.672 nan 8.280 nan 0.000 0.453 200 N N 4.076 122.357 118.700 -0.698 0.000 2.480 200 N HA 0.158 4.881 4.740 -0.028 0.000 0.289 200 N C -1.784 173.343 175.510 -0.637 0.000 1.073 200 N CA -0.938 51.869 53.050 -0.405 0.000 0.885 200 N CB 1.601 40.002 38.487 -0.143 0.000 1.421 200 N HN 0.633 nan 8.380 nan 0.000 0.503 201 E N 2.824 122.788 120.200 -0.394 0.000 2.480 201 E HA 0.069 4.402 4.350 -0.028 0.000 0.258 201 E C -2.074 174.468 176.600 -0.098 0.000 0.984 201 E CA -1.142 55.154 56.400 -0.173 0.000 0.930 201 E CB 0.441 30.191 29.700 0.084 0.000 0.936 201 E HN 0.268 nan 8.360 nan 0.000 0.466 202 P HA 0.102 nan 4.420 nan 0.000 0.275 202 P C 0.439 177.736 177.300 -0.004 0.000 1.228 202 P CA -0.244 62.837 63.100 -0.031 0.000 0.786 202 P CB 1.224 32.922 31.700 -0.003 0.000 0.927 203 G N 0.612 109.403 108.800 -0.015 0.000 2.448 203 G HA2 0.005 3.948 3.960 -0.028 0.000 0.218 203 G HA3 0.005 3.948 3.960 -0.028 0.000 0.218 203 G C 0.382 175.287 174.900 0.008 0.000 1.135 203 G CA 0.662 45.761 45.100 -0.002 0.000 0.784 203 G HN 0.681 nan 8.290 nan 0.000 0.543 204 S N -1.850 113.853 115.700 0.006 0.000 2.533 204 S HA 0.589 5.043 4.470 -0.028 0.000 0.271 204 S C 0.094 174.705 174.600 0.019 0.000 1.143 204 S CA 0.747 58.956 58.200 0.015 0.000 0.891 204 S CB 1.209 64.413 63.200 0.007 0.000 1.105 204 S HN 1.818 nan 8.310 nan 0.000 0.468 205 G N 2.135 110.956 108.800 0.034 0.000 2.645 205 G HA2 0.195 4.138 3.960 -0.028 0.000 0.239 205 G HA3 0.195 4.138 3.960 -0.028 0.000 0.239 205 G C 0.331 175.272 174.900 0.069 0.000 1.331 205 G CA -0.090 45.037 45.100 0.045 0.000 0.890 205 G HN 1.743 nan 8.290 nan 0.000 0.572 206 G N -1.289 107.559 108.800 0.080 0.000 2.477 206 G HA2 0.672 4.616 3.960 -0.028 0.000 0.304 206 G HA3 0.672 4.616 3.960 -0.028 0.000 0.304 206 G C -0.388 174.588 174.900 0.127 0.000 1.175 206 G CA 0.090 45.267 45.100 0.128 0.000 0.907 206 G HN 1.249 nan 8.290 nan 0.000 0.509 207 F N 0.996 120.972 119.950 0.044 0.000 2.443 207 F HA 0.500 5.039 4.527 0.020 0.000 0.353 207 F C -0.134 175.683 175.800 0.028 0.000 1.101 207 F CA -0.123 57.875 58.000 -0.003 0.000 1.226 207 F CB 1.110 40.117 39.000 0.013 0.000 1.140 207 F HN 0.191 nan 8.300 nan 0.000 0.557 208 V N 5.941 125.452 119.914 -0.672 0.000 2.577 208 V HA 0.627 4.730 4.120 -0.028 0.000 0.303 208 V C 0.280 176.003 176.094 -0.619 0.000 1.042 208 V CA -0.484 61.576 62.300 -0.400 0.000 0.872 208 V CB 1.218 32.905 31.823 -0.226 0.000 0.998 208 V HN 1.028 nan 8.190 nan 0.000 0.423 209 G N 1.859 110.559 108.800 -0.166 0.000 2.521 209 G HA2 0.568 4.512 3.960 -0.028 0.000 0.323 209 G HA3 0.568 4.512 3.960 -0.028 0.000 0.323 209 G C -0.029 174.875 174.900 0.007 0.000 1.211 209 G CA -0.097 45.003 45.100 0.000 0.000 0.979 209 G HN 0.746 nan 8.290 nan 0.000 0.490 210 D N -1.800 118.624 120.400 0.039 0.000 2.469 210 D HA 0.126 4.750 4.640 -0.028 0.000 0.215 210 D C 0.190 176.524 176.300 0.056 0.000 1.154 210 D CA -0.024 53.992 54.000 0.027 0.000 0.832 210 D CB 0.459 41.260 40.800 0.002 0.000 1.008 210 D HN 0.148 nan 8.370 nan 0.000 0.506 211 T N 0.999 115.609 114.554 0.093 0.000 2.881 211 T HA 0.418 4.752 4.350 -0.028 0.000 0.291 211 T C -0.060 174.699 174.700 0.098 0.000 0.990 211 T CA -0.614 61.538 62.100 0.085 0.000 0.976 211 T CB 1.930 70.849 68.868 0.083 0.000 0.970 211 T HN 0.013 nan 8.240 nan 0.000 0.438 212 L N 3.602 124.867 121.223 0.071 0.000 2.331 212 L HA 0.500 4.824 4.340 -0.028 0.000 0.278 212 L C -0.819 176.060 176.870 0.015 0.000 1.106 212 L CA -0.714 54.155 54.840 0.048 0.000 0.824 212 L CB 0.624 42.690 42.059 0.012 0.000 1.142 212 L HN 0.358 nan 8.230 nan 0.000 0.443 213 L N 4.207 125.426 121.223 -0.006 0.000 2.386 213 L HA 0.554 4.877 4.340 -0.028 0.000 0.271 213 L C -0.564 176.258 176.870 -0.081 0.000 0.993 213 L CA -0.296 54.529 54.840 -0.024 0.000 0.819 213 L CB 2.213 44.271 42.059 -0.001 0.000 1.294 213 L HN 0.151 nan 8.230 nan 0.000 0.414 214 V N 3.635 123.498 119.914 -0.085 0.000 2.407 214 V HA 0.398 4.501 4.120 -0.028 0.000 0.291 214 V C -0.224 175.811 176.094 -0.099 0.000 1.018 214 V CA -0.753 61.479 62.300 -0.114 0.000 0.842 214 V CB 1.368 33.120 31.823 -0.119 0.000 0.996 214 V HN 0.839 nan 8.190 nan 0.000 0.426 215 N N 3.978 122.606 118.700 -0.120 0.000 2.725 215 N HA -0.212 4.511 4.740 -0.028 0.000 0.249 215 N C 1.139 176.586 175.510 -0.105 0.000 1.103 215 N CA 1.824 54.811 53.050 -0.106 0.000 0.707 215 N CB -1.222 37.237 38.487 -0.047 0.000 1.043 215 N HN 1.531 nan 8.380 nan 0.000 0.553 216 G N -2.755 105.949 108.800 -0.158 0.000 2.175 216 G HA2 -0.204 3.739 3.960 -0.028 0.000 0.244 216 G HA3 -0.204 3.739 3.960 -0.028 0.000 0.244 216 G C -0.060 174.923 174.900 0.138 0.000 0.982 216 G CA 0.440 45.510 45.100 -0.049 0.000 0.641 216 G HN 1.091 nan 8.290 nan 0.000 0.527 217 V N 0.396 120.337 119.914 0.045 0.000 2.680 217 V HA 0.703 4.807 4.120 -0.028 0.000 0.309 217 V C 0.162 176.263 176.094 0.012 0.000 1.052 217 V CA -0.713 61.612 62.300 0.041 0.000 0.908 217 V CB 1.691 33.518 31.823 0.008 0.000 1.001 217 V HN 0.343 nan 8.190 nan 0.000 0.431 218 Q N 3.529 123.345 119.800 0.025 0.000 2.286 218 Q HA 0.292 4.615 4.340 -0.028 0.000 0.267 218 Q C 0.578 176.580 176.000 0.002 0.000 1.028 218 Q CA 0.480 56.293 55.803 0.017 0.000 0.901 218 Q CB 0.846 29.602 28.738 0.030 0.000 1.183 218 Q HN 0.981 nan 8.270 nan 0.000 0.392 219 S N 2.542 118.235 115.700 -0.012 0.000 3.280 219 S HA -0.140 4.313 4.470 -0.028 0.000 0.349 219 S C -2.024 172.571 174.600 -0.008 0.000 0.936 219 S CA 0.188 58.378 58.200 -0.017 0.000 1.301 219 S CB -1.313 61.885 63.200 -0.003 0.000 0.907 219 S HN 0.572 nan 8.310 nan 0.000 0.516 220 P HA 0.394 nan 4.420 nan 0.000 0.277 220 P C -0.305 176.969 177.300 -0.043 0.000 1.271 220 P CA -0.502 62.550 63.100 -0.081 0.000 0.795 220 P CB 0.480 32.084 31.700 -0.159 0.000 1.101 221 Y N -2.290 117.959 120.300 -0.085 0.000 2.562 221 Y HA 0.752 5.286 4.550 -0.027 0.000 0.343 221 Y C -1.294 174.515 175.900 -0.152 0.000 1.025 221 Y CA -1.564 56.472 58.100 -0.106 0.000 1.082 221 Y CB 1.322 39.734 38.460 -0.080 0.000 1.264 221 Y HN 0.226 nan 8.280 nan 0.000 0.478 222 V N 2.595 122.502 119.914 -0.012 0.000 2.525 222 V HA 0.366 4.469 4.120 -0.028 0.000 0.299 222 V C -1.046 175.029 176.094 -0.031 0.000 1.034 222 V CA -0.594 61.582 62.300 -0.207 0.000 0.863 222 V CB 1.625 33.108 31.823 -0.566 0.000 0.999 222 V HN 0.967 nan 8.190 nan 0.000 0.423 223 E N 4.843 125.070 120.200 0.044 0.000 2.259 223 E HA 0.517 4.851 4.350 -0.028 0.000 0.281 223 E C -0.522 176.090 176.600 0.021 0.000 1.037 223 E CA -0.196 56.243 56.400 0.065 0.000 0.854 223 E CB 1.723 31.491 29.700 0.114 0.000 1.051 223 E HN 0.715 nan 8.360 nan 0.000 0.409 224 V N -0.072 119.856 119.914 0.023 0.000 3.040 224 V HA 0.566 4.669 4.120 -0.028 0.000 0.312 224 V C 0.108 176.227 176.094 0.041 0.000 1.115 224 V CA -0.981 61.353 62.300 0.056 0.000 0.998 224 V CB 2.004 33.863 31.823 0.059 0.000 1.042 224 V HN 0.528 nan 8.190 nan 0.000 0.433 225 S N 0.860 116.592 115.700 0.054 0.000 2.640 225 S HA 0.461 4.914 4.470 -0.028 0.000 0.262 225 S C 0.306 174.912 174.600 0.010 0.000 1.232 225 S CA -0.678 57.541 58.200 0.032 0.000 0.988 225 S CB 0.241 63.468 63.200 0.044 0.000 1.034 225 S HN 0.756 nan 8.310 nan 0.000 0.569 226 R N 1.037 121.534 120.500 -0.005 0.000 2.870 226 R HA 0.483 4.806 4.340 -0.028 0.000 0.254 226 R C 0.362 176.632 176.300 -0.050 0.000 1.392 226 R CA -0.270 55.808 56.100 -0.037 0.000 1.322 226 R CB -0.101 30.177 30.300 -0.038 0.000 1.205 226 R HN 0.696 nan 8.270 nan 0.000 0.597 227 G N 0.816 109.575 108.800 -0.069 0.000 2.490 227 G HA2 0.162 4.105 3.960 -0.028 0.000 0.308 227 G HA3 0.162 4.105 3.960 -0.028 0.000 0.308 227 G C -1.715 173.123 174.900 -0.104 0.000 1.286 227 G CA -0.991 44.061 45.100 -0.080 0.000 0.825 227 G HN 0.300 nan 8.290 nan 0.000 0.479 228 W N -0.087 121.238 121.300 0.042 0.000 2.190 228 W HA 0.510 5.153 4.660 -0.029 0.000 0.330 228 W C 0.142 176.704 176.519 0.072 0.000 1.299 228 W CA -0.061 57.315 57.345 0.051 0.000 1.215 228 W CB 1.381 30.863 29.460 0.037 0.000 1.147 228 W HN 0.198 nan 8.180 nan 0.000 0.563 229 V N 3.883 124.006 119.914 0.349 0.000 2.656 229 V HA 0.459 4.563 4.120 -0.028 0.000 0.307 229 V C -0.344 175.917 176.094 0.278 0.000 1.051 229 V CA -1.509 60.956 62.300 0.275 0.000 0.893 229 V CB 1.767 33.725 31.823 0.225 0.000 0.999 229 V HN 0.468 nan 8.190 nan 0.000 0.426 230 R N 3.939 124.576 120.500 0.229 0.000 2.338 230 R HA 0.715 5.039 4.340 -0.028 0.000 0.317 230 R C -1.572 174.839 176.300 0.185 0.000 0.968 230 R CA -0.541 55.669 56.100 0.183 0.000 0.849 230 R CB 0.958 31.337 30.300 0.132 0.000 1.128 230 R HN 0.702 nan 8.270 nan 0.000 0.448 231 L N 5.232 126.546 121.223 0.153 0.000 2.313 231 L HA 0.537 4.860 4.340 -0.028 0.000 0.283 231 L C 0.032 176.950 176.870 0.080 0.000 1.013 231 L CA -0.822 54.093 54.840 0.125 0.000 0.816 231 L CB 1.965 44.075 42.059 0.086 0.000 1.236 231 L HN 0.533 nan 8.230 nan 0.000 0.419 232 R N 4.592 125.134 120.500 0.070 0.000 2.369 232 R HA 0.451 4.774 4.340 -0.028 0.000 0.310 232 R C -0.945 175.356 176.300 0.002 0.000 1.141 232 R CA -0.513 55.611 56.100 0.040 0.000 1.116 232 R CB 0.519 30.854 30.300 0.057 0.000 1.135 232 R HN 0.509 nan 8.270 nan 0.000 0.529 233 L N 4.392 125.601 121.223 -0.024 0.000 2.331 233 L HA 0.376 4.699 4.340 -0.028 0.000 0.278 233 L C -0.284 176.520 176.870 -0.111 0.000 1.106 233 L CA -0.595 54.201 54.840 -0.073 0.000 0.824 233 L CB 0.484 42.499 42.059 -0.074 0.000 1.142 233 L HN 0.351 nan 8.230 nan 0.000 0.443 234 L N 3.880 125.001 121.223 -0.170 0.000 2.438 234 L HA 0.482 4.805 4.340 -0.028 0.000 0.270 234 L C -0.763 175.915 176.870 -0.320 0.000 0.972 234 L CA -0.319 54.354 54.840 -0.278 0.000 0.831 234 L CB 1.822 43.691 42.059 -0.318 0.000 1.273 234 L HN 0.468 nan 8.230 nan 0.000 0.405 235 N N 4.081 122.580 118.700 -0.335 0.000 2.500 235 N HA 0.480 5.203 4.740 -0.028 0.000 0.236 235 N C -0.227 175.043 175.510 -0.400 0.000 1.022 235 N CA 0.295 53.214 53.050 -0.219 0.000 0.935 235 N CB 1.634 40.102 38.487 -0.030 0.000 1.147 235 N HN 0.786 nan 8.380 nan 0.000 0.512 236 A N 2.448 125.060 122.820 -0.347 0.000 2.610 236 A HA 0.288 4.591 4.320 -0.028 0.000 0.286 236 A C 0.251 177.790 177.584 -0.076 0.000 1.306 236 A CA -0.445 51.366 52.037 -0.377 0.000 0.942 236 A CB -0.156 18.660 19.000 -0.307 0.000 1.112 236 A HN 0.500 nan 8.150 nan 0.000 0.527 237 S N 0.028 115.739 115.700 0.019 0.000 2.632 237 S HA 0.155 4.609 4.470 -0.028 0.000 0.267 237 S C 1.005 175.699 174.600 0.157 0.000 1.276 237 S CA -0.523 57.763 58.200 0.142 0.000 0.998 237 S CB 0.804 64.134 63.200 0.216 0.000 0.953 237 S HN 0.519 nan 8.310 nan 0.000 0.547 238 N N 1.278 120.123 118.700 0.243 0.000 2.188 238 N HA -0.068 4.656 4.740 -0.028 0.000 0.184 238 N C 1.461 177.093 175.510 0.203 0.000 1.018 238 N CA 1.427 54.620 53.050 0.239 0.000 0.858 238 N CB 0.039 38.729 38.487 0.338 0.000 0.989 238 N HN 0.670 nan 8.380 nan 0.000 0.426 239 S N -2.132 113.680 115.700 0.187 0.000 2.348 239 S HA 0.120 4.573 4.470 -0.028 0.000 0.276 239 S C 0.367 175.010 174.600 0.071 0.000 1.027 239 S CA -0.590 57.698 58.200 0.147 0.000 1.386 239 S CB 0.181 63.473 63.200 0.153 0.000 1.122 239 S HN 0.098 nan 8.310 nan 0.000 0.573 240 R N 2.602 123.089 120.500 -0.022 0.000 2.522 240 R HA 0.203 4.527 4.340 -0.028 0.000 0.284 240 R C -0.040 175.997 176.300 -0.438 0.000 1.032 240 R CA -0.131 55.819 56.100 -0.251 0.000 1.049 240 R CB 0.422 30.492 30.300 -0.384 0.000 0.956 240 R HN 0.339 nan 8.270 nan 0.000 0.422 241 R N 4.772 124.983 120.500 -0.482 0.000 2.393 241 R HA 0.162 4.486 4.340 -0.028 0.000 0.310 241 R C -1.465 174.458 176.300 -0.630 0.000 0.968 241 R CA -0.394 55.362 56.100 -0.573 0.000 0.867 241 R CB 0.732 30.476 30.300 -0.928 0.000 1.124 241 R HN 0.562 nan 8.270 nan 0.000 0.450 242 Y N 1.920 122.083 120.300 -0.230 0.000 2.334 242 Y HA 0.251 4.782 4.550 -0.031 0.000 0.328 242 Y C 0.426 176.207 175.900 -0.199 0.000 1.130 242 Y CA -0.501 57.493 58.100 -0.176 0.000 1.163 242 Y CB 1.666 40.047 38.460 -0.130 0.000 1.207 242 Y HN 0.260 nan 8.280 nan 0.000 0.471 243 Q N 4.297 124.090 119.800 -0.011 0.000 2.456 243 Q HA 0.380 4.703 4.340 -0.028 0.000 0.252 243 Q C -1.225 174.758 176.000 -0.028 0.000 1.042 243 Q CA -0.318 55.445 55.803 -0.067 0.000 0.766 243 Q CB 1.593 30.275 28.738 -0.092 0.000 1.196 243 Q HN 0.677 nan 8.270 nan 0.000 0.504 244 L N 2.743 123.943 121.223 -0.038 0.000 2.334 244 L HA 0.469 4.793 4.340 -0.028 0.000 0.277 244 L C 0.413 177.248 176.870 -0.058 0.000 1.075 244 L CA -0.434 54.380 54.840 -0.044 0.000 0.804 244 L CB 0.893 42.918 42.059 -0.056 0.000 1.174 244 L HN 0.490 nan 8.230 nan 0.000 0.438 245 Q N 1.886 121.654 119.800 -0.053 0.000 2.534 245 Q HA 0.566 4.889 4.340 -0.028 0.000 0.290 245 Q C -1.611 174.359 176.000 -0.049 0.000 0.991 245 Q CA -1.150 54.620 55.803 -0.055 0.000 0.783 245 Q CB 2.126 30.834 28.738 -0.051 0.000 1.470 245 Q HN 0.308 nan 8.270 nan 0.000 0.406 246 M N 3.197 122.767 119.600 -0.050 0.000 2.188 246 M HA 0.138 4.602 4.480 -0.028 0.000 0.357 246 M C 0.824 177.103 176.300 -0.036 0.000 1.204 246 M CA -0.427 54.848 55.300 -0.042 0.000 1.095 246 M CB 0.544 33.118 32.600 -0.044 0.000 1.604 246 M HN 0.903 nan 8.290 nan 0.000 0.464 247 N N 2.295 120.976 118.700 -0.032 0.000 2.430 247 N HA -0.205 4.518 4.740 -0.028 0.000 0.186 247 N C 0.376 175.870 175.510 -0.026 0.000 1.032 247 N CA 1.509 54.542 53.050 -0.028 0.000 0.893 247 N CB -0.394 38.077 38.487 -0.026 0.000 0.957 247 N HN 0.621 nan 8.380 nan 0.000 0.442 248 D N -2.502 117.882 120.400 -0.027 0.000 2.369 248 D HA 0.199 4.822 4.640 -0.028 0.000 0.211 248 D C 1.219 177.506 176.300 -0.022 0.000 1.077 248 D CA 0.331 54.317 54.000 -0.024 0.000 0.842 248 D CB -0.321 40.464 40.800 -0.024 0.000 0.947 248 D HN 0.309 nan 8.370 nan 0.000 0.509 249 G N 1.306 110.090 108.800 -0.026 0.000 2.176 249 G HA2 -0.346 3.597 3.960 -0.028 0.000 0.253 249 G HA3 -0.346 3.597 3.960 -0.028 0.000 0.253 249 G C 0.431 175.314 174.900 -0.028 0.000 0.979 249 G CA 0.196 45.281 45.100 -0.025 0.000 0.641 249 G HN 0.765 nan 8.290 nan 0.000 0.530 250 R N 0.675 121.158 120.500 -0.029 0.000 2.774 250 R HA 0.563 4.886 4.340 -0.028 0.000 0.269 250 R C -2.353 173.904 176.300 -0.072 0.000 1.068 250 R CA -0.870 55.211 56.100 -0.031 0.000 1.180 250 R CB 0.080 30.369 30.300 -0.018 0.000 1.077 250 R HN 0.202 nan 8.270 nan 0.000 0.513 251 P HA 0.177 nan 4.420 nan 0.000 0.276 251 P C -1.072 176.005 177.300 -0.372 0.000 1.244 251 P CA -0.577 62.398 63.100 -0.208 0.000 0.801 251 P CB 0.602 32.183 31.700 -0.200 0.000 1.006 252 L N 2.816 123.866 121.223 -0.289 0.000 2.264 252 L HA 0.281 4.605 4.340 -0.028 0.000 0.289 252 L C 0.678 177.395 176.870 -0.256 0.000 1.044 252 L CA -0.203 54.498 54.840 -0.232 0.000 0.807 252 L CB 0.160 42.158 42.059 -0.101 0.000 1.192 252 L HN 0.331 nan 8.230 nan 0.000 0.425 253 H N 3.746 122.873 119.070 0.094 0.000 2.872 253 H HA 0.255 4.795 4.556 -0.028 0.000 0.273 253 H C -0.446 174.918 175.328 0.061 0.000 1.205 253 H CA -0.492 55.606 56.048 0.083 0.000 1.342 253 H CB 0.662 30.494 29.762 0.116 0.000 1.469 253 H HN 0.234 nan 8.280 nan 0.000 0.487 254 V N 5.815 125.804 119.914 0.125 0.000 2.530 254 V HA 0.011 4.114 4.120 -0.028 0.000 0.282 254 V C 1.758 177.914 176.094 0.103 0.000 1.048 254 V CA 0.028 62.385 62.300 0.095 0.000 0.997 254 V CB 0.737 32.598 31.823 0.064 0.000 0.987 254 V HN 0.746 nan 8.190 nan 0.000 0.477 255 I N 0.721 121.360 120.570 0.115 0.000 4.288 255 I HA 0.473 4.626 4.170 -0.028 0.000 0.331 255 I C 0.580 176.827 176.117 0.216 0.000 1.322 255 I CA 0.229 61.624 61.300 0.158 0.000 1.149 255 I CB 0.705 38.809 38.000 0.175 0.000 1.112 255 I HN 0.485 nan 8.210 nan 0.000 0.403 256 S N 0.095 115.867 115.700 0.121 0.000 2.611 256 S HA 0.778 5.232 4.470 -0.028 0.000 0.268 256 S C -0.525 174.093 174.600 0.031 0.000 1.156 256 S CA -0.185 58.047 58.200 0.053 0.000 0.817 256 S CB 1.933 65.091 63.200 -0.069 0.000 1.122 256 S HN 0.669 nan 8.310 nan 0.000 0.466 257 G N 1.700 110.511 108.800 0.017 0.000 2.421 257 G HA2 0.039 3.982 3.960 -0.028 0.000 0.360 257 G HA3 0.039 3.982 3.960 -0.028 0.000 0.360 257 G C -0.264 174.629 174.900 -0.012 0.000 1.219 257 G CA -0.490 44.613 45.100 0.005 0.000 1.257 257 G HN 0.539 nan 8.290 nan 0.000 0.609 258 D N 0.514 120.917 120.400 0.006 0.000 2.106 258 D HA -0.106 4.517 4.640 -0.028 0.000 0.191 258 D C 2.112 178.409 176.300 -0.005 0.000 0.997 258 D CA 1.360 55.366 54.000 0.009 0.000 0.834 258 D CB 0.328 41.125 40.800 -0.005 0.000 0.956 258 D HN 0.511 nan 8.370 nan 0.000 0.448 259 Q N -0.414 119.383 119.800 -0.006 0.000 2.220 259 Q HA 0.389 4.713 4.340 -0.028 0.000 0.205 259 Q C 0.637 176.646 176.000 0.016 0.000 0.865 259 Q CA 0.003 55.803 55.803 -0.005 0.000 0.960 259 Q CB 1.555 30.290 28.738 -0.006 0.000 1.097 259 Q HN 0.246 nan 8.270 nan 0.000 0.493 260 G N -0.003 108.784 108.800 -0.022 0.000 2.369 260 G HA2 0.025 3.968 3.960 -0.028 0.000 0.295 260 G HA3 0.025 3.968 3.960 -0.028 0.000 0.295 260 G C -1.225 173.640 174.900 -0.058 0.000 1.298 260 G CA -1.168 43.877 45.100 -0.092 0.000 0.940 260 G HN 0.055 nan 8.290 nan 0.000 0.536 261 F N 0.344 120.335 119.950 0.068 0.000 2.545 261 F HA 0.421 4.932 4.527 -0.026 0.000 0.348 261 F C 1.582 177.404 175.800 0.037 0.000 1.163 261 F CA -0.169 57.857 58.000 0.043 0.000 1.331 261 F CB 0.425 39.443 39.000 0.031 0.000 1.138 261 F HN 0.246 nan 8.300 nan 0.000 0.602 262 L N 3.655 125.021 121.223 0.238 0.000 2.456 262 L HA 0.164 4.487 4.340 -0.028 0.000 0.257 262 L C -1.465 175.460 176.870 0.091 0.000 1.162 262 L CA -1.693 53.215 54.840 0.112 0.000 0.808 262 L CB 0.446 42.555 42.059 0.083 0.000 1.136 262 L HN 0.393 nan 8.230 nan 0.000 0.466 263 P HA -0.067 nan 4.420 nan 0.000 0.217 263 P C -0.428 176.869 177.300 -0.004 0.000 1.150 263 P CA 0.973 64.081 63.100 0.013 0.000 0.832 263 P CB 0.324 32.020 31.700 -0.007 0.000 0.787 264 A N -2.561 120.260 122.820 0.002 0.000 2.594 264 A HA 0.635 4.939 4.320 -0.028 0.000 0.291 264 A C -2.932 174.656 177.584 0.008 0.000 1.105 264 A CA -1.768 50.261 52.037 -0.013 0.000 0.694 264 A CB 0.312 19.302 19.000 -0.016 0.000 1.291 264 A HN -0.238 nan 8.150 nan 0.000 0.410 265 P HA 0.343 nan 4.420 nan 0.000 0.269 265 P C -0.852 176.481 177.300 0.055 0.000 1.209 265 P CA 0.024 63.139 63.100 0.024 0.000 0.776 265 P CB 0.648 32.336 31.700 -0.020 0.000 0.876 266 V N 2.601 122.566 119.914 0.085 0.000 2.531 266 V HA 0.259 4.362 4.120 -0.028 0.000 0.301 266 V C -0.146 176.015 176.094 0.112 0.000 1.034 266 V CA -0.346 62.007 62.300 0.090 0.000 0.865 266 V CB 1.886 33.755 31.823 0.077 0.000 0.995 266 V HN 0.418 nan 8.190 nan 0.000 0.424 267 S N 4.140 119.914 115.700 0.123 0.000 2.422 267 S HA 0.633 5.086 4.470 -0.028 0.000 0.308 267 S C -0.223 174.387 174.600 0.016 0.000 1.097 267 S CA -0.523 57.731 58.200 0.091 0.000 1.099 267 S CB 1.332 64.647 63.200 0.192 0.000 0.976 267 S HN 0.838 nan 8.310 nan 0.000 0.471 268 V N 2.189 122.078 119.914 -0.041 0.000 2.864 268 V HA 0.619 4.723 4.120 -0.028 0.000 0.314 268 V C 0.712 176.756 176.094 -0.084 0.000 1.073 268 V CA -0.910 61.358 62.300 -0.053 0.000 0.956 268 V CB 1.952 33.737 31.823 -0.063 0.000 1.023 268 V HN 0.766 nan 8.190 nan 0.000 0.435 269 K N 1.801 122.155 120.400 -0.077 0.000 2.137 269 K HA 0.189 4.493 4.320 -0.028 0.000 0.202 269 K C 0.848 177.397 176.600 -0.086 0.000 1.052 269 K CA 0.974 57.216 56.287 -0.074 0.000 0.961 269 K CB 0.198 32.665 32.500 -0.055 0.000 0.741 269 K HN 0.846 nan 8.250 nan 0.000 0.452 270 Q N 0.941 120.675 119.800 -0.111 0.000 2.285 270 Q HA 0.316 4.639 4.340 -0.028 0.000 0.269 270 Q C -2.102 173.810 176.000 -0.146 0.000 1.030 270 Q CA -0.795 54.938 55.803 -0.117 0.000 0.788 270 Q CB 1.641 30.308 28.738 -0.119 0.000 1.266 270 Q HN 0.170 nan 8.270 nan 0.000 0.438 271 L N 2.760 123.915 121.223 -0.115 0.000 2.305 271 L HA 0.515 4.838 4.340 -0.028 0.000 0.284 271 L C -0.720 176.086 176.870 -0.107 0.000 1.013 271 L CA 0.079 54.854 54.840 -0.108 0.000 0.819 271 L CB 1.880 43.895 42.059 -0.072 0.000 1.227 271 L HN 0.596 nan 8.230 nan 0.000 0.417 272 S N 4.738 120.362 115.700 -0.126 0.000 2.545 272 S HA 0.616 5.070 4.470 -0.028 0.000 0.275 272 S C -0.699 173.842 174.600 -0.099 0.000 1.299 272 S CA -0.421 57.688 58.200 -0.152 0.000 1.048 272 S CB 0.493 63.577 63.200 -0.194 0.000 0.938 272 S HN 0.606 nan 8.310 nan 0.000 0.496 273 L N 5.045 126.208 121.223 -0.100 0.000 2.529 273 L HA 0.671 4.995 4.340 -0.028 0.000 0.260 273 L C -0.084 176.762 176.870 -0.040 0.000 0.997 273 L CA 0.026 54.846 54.840 -0.033 0.000 0.885 273 L CB 0.870 42.932 42.059 0.004 0.000 1.185 273 L HN 0.824 nan 8.230 nan 0.000 0.442 274 A N 5.150 127.944 122.820 -0.043 0.000 2.271 274 A HA 0.838 5.142 4.320 -0.028 0.000 0.288 274 A C -2.502 175.125 177.584 0.073 0.000 1.094 274 A CA -1.487 50.548 52.037 -0.004 0.000 0.828 274 A CB -0.168 18.975 19.000 0.239 0.000 1.091 274 A HN 0.542 nan 8.150 nan 0.000 0.493 275 P HA 0.216 nan 4.420 nan 0.000 0.261 275 P C 0.947 178.294 177.300 0.078 0.000 1.183 275 P CA 2.111 65.256 63.100 0.075 0.000 0.761 275 P CB 0.497 32.278 31.700 0.135 0.000 0.785 276 G N 2.017 110.766 108.800 -0.084 0.000 2.217 276 G HA2 -0.234 3.709 3.960 -0.028 0.000 0.246 276 G HA3 -0.234 3.709 3.960 -0.028 0.000 0.246 276 G C 0.143 175.029 174.900 -0.024 0.000 0.990 276 G CA -0.301 44.797 45.100 -0.003 0.000 0.627 276 G HN 0.538 nan 8.290 nan 0.000 0.522 277 E N 0.267 120.454 120.200 -0.021 0.000 2.373 277 E HA 0.593 4.926 4.350 -0.028 0.000 0.263 277 E C 0.250 176.797 176.600 -0.088 0.000 1.073 277 E CA -0.108 56.298 56.400 0.009 0.000 0.894 277 E CB 0.556 30.289 29.700 0.054 0.000 1.008 277 E HN 0.283 nan 8.360 nan 0.000 0.420 278 R N 1.239 121.717 120.500 -0.038 0.000 2.628 278 R HA 0.473 4.796 4.340 -0.028 0.000 0.288 278 R C -0.729 175.558 176.300 -0.020 0.000 0.980 278 R CA -0.539 55.528 56.100 -0.056 0.000 0.891 278 R CB 1.824 32.104 30.300 -0.032 0.000 1.188 278 R HN 0.363 nan 8.270 nan 0.000 0.450 279 R N 1.388 121.873 120.500 -0.024 0.000 2.604 279 R HA 0.322 4.646 4.340 -0.028 0.000 0.281 279 R C -1.007 175.294 176.300 0.003 0.000 1.020 279 R CA -0.873 55.225 56.100 -0.003 0.000 0.899 279 R CB 2.762 33.063 30.300 0.001 0.000 1.205 279 R HN 0.554 nan 8.270 nan 0.000 0.450 280 E N 3.403 123.615 120.200 0.021 0.000 2.166 280 E HA 0.424 4.757 4.350 -0.028 0.000 0.275 280 E C -0.358 176.286 176.600 0.073 0.000 0.941 280 E CA -0.604 55.822 56.400 0.044 0.000 0.784 280 E CB 1.919 31.647 29.700 0.047 0.000 1.115 280 E HN 0.422 nan 8.360 nan 0.000 0.399 281 I N -0.493 120.129 120.570 0.085 0.000 2.892 281 I HA 0.539 4.693 4.170 -0.028 0.000 0.306 281 I C -1.181 175.033 176.117 0.162 0.000 1.078 281 I CA -1.208 60.160 61.300 0.115 0.000 1.032 281 I CB 1.424 39.476 38.000 0.087 0.000 1.229 281 I HN 0.322 nan 8.210 nan 0.000 0.435 282 L N 4.724 126.083 121.223 0.227 0.000 2.322 282 L HA 0.669 4.992 4.340 -0.028 0.000 0.281 282 L C -0.814 176.378 176.870 0.536 0.000 1.014 282 L CA -1.029 54.006 54.840 0.325 0.000 0.815 282 L CB 1.931 44.078 42.059 0.146 0.000 1.247 282 L HN 0.415 nan 8.230 nan 0.000 0.421 283 V N 1.160 121.364 119.914 0.484 0.000 2.495 283 V HA 0.277 4.380 4.120 -0.028 0.000 0.298 283 V C -0.617 175.558 176.094 0.135 0.000 1.031 283 V CA -0.607 61.891 62.300 0.330 0.000 0.871 283 V CB 2.095 34.010 31.823 0.154 0.000 0.988 283 V HN 0.620 nan 8.190 nan 0.000 0.432 284 D N 4.923 125.159 120.400 -0.274 0.000 2.359 284 D HA 0.320 4.944 4.640 -0.028 0.000 0.230 284 D C 0.438 176.493 176.300 -0.407 0.000 1.118 284 D CA -0.400 53.073 54.000 -0.879 0.000 0.844 284 D CB 1.301 41.205 40.800 -1.495 0.000 1.059 284 D HN 0.308 nan 8.370 nan 0.000 0.493 285 M N 2.491 121.912 119.600 -0.298 0.000 2.475 285 M HA 0.000 4.464 4.480 -0.028 0.000 0.261 285 M C 1.711 177.914 176.300 -0.161 0.000 1.177 285 M CA 0.037 55.238 55.300 -0.165 0.000 0.979 285 M CB -0.602 31.948 32.600 -0.085 0.000 1.482 285 M HN 0.410 nan 8.290 nan 0.000 0.484 286 S N 0.186 115.747 115.700 -0.231 0.000 2.419 286 S HA -0.179 4.274 4.470 -0.028 0.000 0.233 286 S C 1.516 176.049 174.600 -0.112 0.000 1.016 286 S CA 1.561 59.661 58.200 -0.167 0.000 0.974 286 S CB -0.852 62.228 63.200 -0.199 0.000 0.786 286 S HN 0.668 nan 8.310 nan 0.000 0.492 287 N N 1.019 119.652 118.700 -0.111 0.000 2.520 287 N HA 0.041 4.764 4.740 -0.028 0.000 0.185 287 N C 1.211 176.685 175.510 -0.060 0.000 1.068 287 N CA 0.515 53.520 53.050 -0.076 0.000 0.911 287 N CB -0.497 37.948 38.487 -0.070 0.000 0.961 287 N HN 0.647 nan 8.380 nan 0.000 0.446 288 G N 0.389 109.151 108.800 -0.063 0.000 2.168 288 G HA2 -0.250 3.693 3.960 -0.028 0.000 0.263 288 G HA3 -0.250 3.693 3.960 -0.028 0.000 0.263 288 G C -0.454 174.418 174.900 -0.047 0.000 0.977 288 G CA 0.467 45.537 45.100 -0.050 0.000 0.659 288 G HN 0.412 nan 8.290 nan 0.000 0.533 289 D N 0.072 120.442 120.400 -0.050 0.000 2.277 289 D HA 0.482 5.105 4.640 -0.028 0.000 0.250 289 D C 0.398 176.670 176.300 -0.047 0.000 1.032 289 D CA -0.491 53.482 54.000 -0.045 0.000 0.947 289 D CB 0.973 41.748 40.800 -0.042 0.000 1.159 289 D HN 0.268 nan 8.370 nan 0.000 0.460 290 E N 0.904 121.076 120.200 -0.046 0.000 2.343 290 E HA 0.385 4.719 4.350 -0.028 0.000 0.269 290 E C -1.426 175.150 176.600 -0.040 0.000 1.047 290 E CA -0.431 55.941 56.400 -0.046 0.000 0.874 290 E CB 1.444 31.113 29.700 -0.051 0.000 1.033 290 E HN 0.145 nan 8.360 nan 0.000 0.409 291 V N 2.682 122.574 119.914 -0.037 0.000 2.888 291 V HA 0.429 4.532 4.120 -0.028 0.000 0.309 291 V C -1.299 174.776 176.094 -0.031 0.000 1.114 291 V CA -0.417 61.863 62.300 -0.033 0.000 0.940 291 V CB 2.542 34.346 31.823 -0.033 0.000 1.021 291 V HN 0.739 nan 8.190 nan 0.000 0.426 292 S N 6.026 121.707 115.700 -0.031 0.000 2.513 292 S HA 0.675 5.128 4.470 -0.028 0.000 0.299 292 S C -0.591 173.987 174.600 -0.037 0.000 1.087 292 S CA -0.476 57.705 58.200 -0.032 0.000 1.012 292 S CB 1.681 64.865 63.200 -0.028 0.000 1.044 292 S HN 0.638 nan 8.310 nan 0.000 0.485 293 I N 3.051 123.594 120.570 -0.044 0.000 2.395 293 I HA 0.349 4.502 4.170 -0.028 0.000 0.289 293 I C 0.714 176.799 176.117 -0.053 0.000 1.023 293 I CA -0.044 61.225 61.300 -0.052 0.000 1.350 293 I CB 1.206 39.166 38.000 -0.065 0.000 1.409 293 I HN 0.678 nan 8.210 nan 0.000 0.507 294 T N 2.891 117.417 114.554 -0.046 0.000 2.901 294 T HA 0.695 5.029 4.350 -0.028 0.000 0.293 294 T C -0.354 174.329 174.700 -0.027 0.000 1.084 294 T CA -0.825 61.254 62.100 -0.036 0.000 1.008 294 T CB 1.806 70.659 68.868 -0.026 0.000 1.170 294 T HN 0.812 nan 8.240 nan 0.000 0.509 313 S N 2.854 118.503 115.700 -0.084 0.000 1.799 313 S HA -0.242 4.212 4.470 -0.028 0.000 0.230 313 S C 0.140 174.711 174.600 -0.047 0.000 0.932 313 S CA 1.711 59.869 58.200 -0.070 0.000 1.516 313 S CB -1.869 61.295 63.200 -0.060 0.000 1.962 313 S HN 0.812 nan 8.310 nan 0.000 0.542 314 I N 3.360 123.908 120.570 -0.036 0.000 2.598 314 I HA 0.282 4.436 4.170 -0.028 0.000 0.284 314 I C 0.665 176.774 176.117 -0.013 0.000 1.140 314 I CA 0.409 61.696 61.300 -0.022 0.000 1.420 314 I CB 0.356 38.345 38.000 -0.020 0.000 1.387 314 I HN 0.394 nan 8.210 nan 0.000 0.553 315 L N 6.677 127.900 121.223 -0.001 0.000 2.395 315 L HA 0.153 4.477 4.340 -0.028 0.000 0.269 315 L C 1.442 178.319 176.870 0.011 0.000 1.133 315 L CA -0.408 54.441 54.840 0.015 0.000 0.812 315 L CB 1.139 43.217 42.059 0.033 0.000 1.125 315 L HN 0.624 nan 8.230 nan 0.000 0.452 316 V N -0.828 119.096 119.914 0.016 0.000 2.515 316 V HA -0.030 4.073 4.120 -0.028 0.000 0.250 316 V C 0.820 176.921 176.094 0.011 0.000 1.058 316 V CA 1.152 63.459 62.300 0.011 0.000 1.064 316 V CB 0.224 32.056 31.823 0.014 0.000 0.675 316 V HN 0.690 nan 8.190 nan 0.000 0.461 317 S N -1.627 114.082 115.700 0.016 0.000 2.536 317 S HA 0.459 4.913 4.470 -0.028 0.000 0.271 317 S C 0.250 174.860 174.600 0.016 0.000 1.134 317 S CA 0.238 58.445 58.200 0.012 0.000 0.897 317 S CB 1.912 65.118 63.200 0.010 0.000 1.094 317 S HN 0.484 nan 8.310 nan 0.000 0.473 318 T N 3.691 118.251 114.554 0.009 0.000 3.122 318 T HA 0.246 4.579 4.350 -0.028 0.000 0.250 318 T C 0.315 175.013 174.700 -0.004 0.000 1.067 318 T CA -0.087 62.021 62.100 0.012 0.000 0.966 318 T CB -0.534 68.339 68.868 0.008 0.000 1.002 318 T HN 0.449 nan 8.240 nan 0.000 0.542 319 L N 2.273 123.490 121.223 -0.009 0.000 2.369 319 L HA 0.348 4.671 4.340 -0.028 0.000 0.279 319 L C 0.976 177.823 176.870 -0.038 0.000 1.108 319 L CA 0.337 55.165 54.840 -0.021 0.000 0.852 319 L CB 0.699 42.750 42.059 -0.013 0.000 1.169 319 L HN -0.007 nan 8.230 nan 0.000 0.452 320 V N 5.355 125.232 119.914 -0.062 0.000 2.326 320 V HA 0.168 4.271 4.120 -0.028 0.000 0.238 320 V C 0.153 176.192 176.094 -0.092 0.000 1.038 320 V CA 0.683 62.921 62.300 -0.102 0.000 1.032 320 V CB -0.029 31.706 31.823 -0.148 0.000 0.675 320 V HN 0.686 nan 8.190 nan 0.000 0.467 321 L N -0.674 120.502 121.223 -0.078 0.000 2.526 321 L HA 0.557 4.881 4.340 -0.028 0.000 0.263 321 L C -0.781 176.060 176.870 -0.049 0.000 0.943 321 L CA 0.131 54.927 54.840 -0.073 0.000 0.859 321 L CB 2.145 44.144 42.059 -0.099 0.000 1.313 321 L HN 0.025 nan 8.230 nan 0.000 0.406 322 T N 5.643 120.185 114.554 -0.021 0.000 2.767 322 T HA 0.576 4.909 4.350 -0.028 0.000 0.284 322 T C -0.401 174.297 174.700 -0.003 0.000 0.973 322 T CA -0.096 62.004 62.100 -0.001 0.000 0.996 322 T CB 0.651 69.540 68.868 0.035 0.000 0.927 322 T HN 0.396 nan 8.240 nan 0.000 0.456 323 L N 4.117 125.325 121.223 -0.025 0.000 2.268 323 L HA 0.419 4.742 4.340 -0.028 0.000 0.289 323 L C 0.696 177.551 176.870 -0.024 0.000 1.064 323 L CA -0.138 54.682 54.840 -0.034 0.000 0.824 323 L CB 0.360 42.398 42.059 -0.036 0.000 1.202 323 L HN 0.403 nan 8.230 nan 0.000 0.433 324 R N 5.245 125.741 120.500 -0.007 0.000 2.198 324 R HA 0.441 4.765 4.340 -0.028 0.000 0.339 324 R C -2.518 173.762 176.300 -0.033 0.000 1.020 324 R CA -1.523 54.554 56.100 -0.039 0.000 0.864 324 R CB 0.943 31.192 30.300 -0.086 0.000 1.105 324 R HN 0.237 nan 8.270 nan 0.000 0.463 325 P HA 0.086 nan 4.420 nan 0.000 0.274 325 P C -0.029 177.252 177.300 -0.032 0.000 1.231 325 P CA -0.105 62.975 63.100 -0.032 0.000 0.790 325 P CB 1.420 33.096 31.700 -0.039 0.000 0.951 326 T N -2.404 112.140 114.554 -0.017 0.000 2.985 326 T HA 0.306 4.639 4.350 -0.028 0.000 0.254 326 T C 1.310 176.002 174.700 -0.013 0.000 1.021 326 T CA 0.534 62.627 62.100 -0.013 0.000 0.957 326 T CB -0.417 68.454 68.868 0.005 0.000 1.047 326 T HN 0.578 nan 8.240 nan 0.000 0.511 327 G N 1.169 109.960 108.800 -0.015 0.000 2.217 327 G HA2 -0.200 3.743 3.960 -0.028 0.000 0.246 327 G HA3 -0.200 3.743 3.960 -0.028 0.000 0.246 327 G C -0.137 174.758 174.900 -0.007 0.000 0.990 327 G CA 0.016 45.107 45.100 -0.015 0.000 0.627 327 G HN 0.567 nan 8.290 nan 0.000 0.522 328 L N 1.167 122.390 121.223 0.000 0.000 2.461 328 L HA 0.544 4.867 4.340 -0.028 0.000 0.272 328 L C 0.808 177.683 176.870 0.007 0.000 1.197 328 L CA 0.214 55.059 54.840 0.008 0.000 0.836 328 L CB 0.693 42.762 42.059 0.017 0.000 1.105 328 L HN 0.121 nan 8.230 nan 0.000 0.477 329 L N 3.027 124.256 121.223 0.011 0.000 2.319 329 L HA 0.706 5.030 4.340 -0.028 0.000 0.267 329 L C -2.007 174.877 176.870 0.024 0.000 1.011 329 L CA -1.183 53.664 54.840 0.011 0.000 0.818 329 L CB 1.433 43.495 42.059 0.007 0.000 1.316 329 L HN 0.565 nan 8.230 nan 0.000 0.432 336 L N 0.915 121.901 121.223 -0.395 0.000 2.454 336 L HA 0.638 4.961 4.340 -0.028 0.000 0.256 336 L C -2.106 174.571 176.870 -0.321 0.000 1.136 336 L CA -2.543 51.922 54.840 -0.625 0.000 0.804 336 L CB -0.016 41.626 42.059 -0.696 0.000 1.181 336 L HN 0.096 nan 8.230 nan 0.000 0.469 337 P HA 0.038 nan 4.420 nan 0.000 0.268 337 P C 0.163 177.374 177.300 -0.147 0.000 1.208 337 P CA -0.145 62.841 63.100 -0.190 0.000 0.777 337 P CB 0.409 31.991 31.700 -0.197 0.000 0.875 338 M N -0.132 119.406 119.600 -0.104 0.000 2.476 338 M HA 0.087 4.551 4.480 -0.028 0.000 0.262 338 M C 0.470 176.729 176.300 -0.068 0.000 1.111 338 M CA 1.411 56.667 55.300 -0.074 0.000 1.127 338 M CB -0.723 31.846 32.600 -0.052 0.000 1.376 338 M HN 0.259 nan 8.290 nan 0.000 0.465 339 R N -0.163 120.287 120.500 -0.084 0.000 2.651 339 R HA 0.552 4.875 4.340 -0.028 0.000 0.278 339 R C 0.363 176.589 176.300 -0.124 0.000 1.010 339 R CA -0.312 55.739 56.100 -0.081 0.000 0.896 339 R CB 2.046 32.309 30.300 -0.062 0.000 1.211 339 R HN 0.143 nan 8.270 nan 0.000 0.456 340 L N 0.884 122.029 121.223 -0.130 0.000 2.546 340 L HA 0.368 4.692 4.340 -0.028 0.000 0.182 340 L C 0.655 177.395 176.870 -0.216 0.000 1.167 340 L CA 0.144 54.837 54.840 -0.244 0.000 0.845 340 L CB 0.086 42.011 42.059 -0.223 0.000 1.134 340 L HN 0.260 nan 8.230 nan 0.000 0.500 341 L N 2.109 123.284 121.223 -0.081 0.000 2.416 341 L HA 0.088 4.411 4.340 -0.028 0.000 0.272 341 L C -1.104 175.757 176.870 -0.016 0.000 1.161 341 L CA -1.245 53.592 54.840 -0.004 0.000 0.845 341 L CB 0.931 43.034 42.059 0.074 0.000 1.119 341 L HN 0.023 nan 8.230 nan 0.000 0.464 342 P HA -0.042 nan 4.420 nan 0.000 0.220 342 P C -0.056 177.249 177.300 0.008 0.000 1.148 342 P CA 0.911 64.009 63.100 -0.004 0.000 0.803 342 P CB 0.236 31.941 31.700 0.008 0.000 0.782 343 T N -0.436 114.134 114.554 0.027 0.000 2.971 343 T HA 0.200 4.534 4.350 -0.028 0.000 0.304 343 T C -0.795 173.928 174.700 0.037 0.000 1.038 343 T CA -0.608 61.509 62.100 0.029 0.000 1.007 343 T CB 2.221 71.111 68.868 0.037 0.000 1.055 343 T HN -0.102 nan 8.240 nan 0.000 0.451 344 E N 3.547 123.756 120.200 0.014 0.000 1.881 344 E HA 0.171 4.504 4.350 -0.028 0.000 0.264 344 E C 0.624 177.230 176.600 0.011 0.000 1.243 344 E CA -0.454 55.944 56.400 -0.003 0.000 0.965 344 E CB -0.185 29.500 29.700 -0.026 0.000 1.055 344 E HN 0.628 nan 8.360 nan 0.000 0.412 345 I N 1.762 122.370 120.570 0.063 0.000 2.845 345 I HA -0.047 4.106 4.170 -0.028 0.000 0.296 345 I C 0.133 176.311 176.117 0.101 0.000 1.216 345 I CA -0.071 61.309 61.300 0.132 0.000 1.438 345 I CB 0.502 38.671 38.000 0.282 0.000 1.342 345 I HN 0.391 nan 8.210 nan 0.000 0.577 346 M N 6.371 126.023 119.600 0.087 0.000 2.238 346 M HA 0.407 4.871 4.480 -0.028 0.000 0.347 346 M C 0.321 176.641 176.300 0.034 0.000 1.173 346 M CA -0.086 55.225 55.300 0.018 0.000 1.147 346 M CB 0.840 33.431 32.600 -0.014 0.000 1.547 346 M HN 0.857 nan 8.290 nan 0.000 0.455 347 A N 2.178 124.915 122.820 -0.138 0.000 2.306 347 A HA 0.816 5.119 4.320 -0.028 0.000 0.330 347 A C 0.256 177.314 177.584 -0.877 0.000 1.146 347 A CA -0.459 51.299 52.037 -0.465 0.000 0.827 347 A CB 0.866 19.686 19.000 -0.300 0.000 1.178 347 A HN 0.921 nan 8.150 nan 0.000 0.490 348 G N -0.250 107.324 108.800 -2.044 0.000 2.547 348 G HA2 0.482 4.426 3.960 -0.028 0.000 0.291 348 G HA3 0.482 4.426 3.960 -0.028 0.000 0.291 348 G C -0.191 174.182 174.900 -0.879 0.000 1.211 348 G CA -0.306 43.902 45.100 -1.488 0.000 0.950 348 G HN 0.730 nan 8.290 nan 0.000 0.504 349 S N 2.130 117.596 115.700 -0.390 0.000 2.439 349 S HA 0.361 4.814 4.470 -0.028 0.000 0.282 349 S C -2.097 172.535 174.600 0.053 0.000 1.170 349 S CA -0.706 57.420 58.200 -0.123 0.000 1.054 349 S CB 1.290 64.460 63.200 -0.049 0.000 0.956 349 S HN 0.474 nan 8.310 nan 0.000 0.490 350 P HA 0.125 nan 4.420 nan 0.000 0.267 350 P C 0.510 177.920 177.300 0.183 0.000 1.205 350 P CA -0.208 63.042 63.100 0.250 0.000 0.765 350 P CB 0.373 32.208 31.700 0.225 0.000 0.828 351 I N 0.057 120.751 120.570 0.205 0.000 3.783 351 I HA 0.353 4.506 4.170 -0.028 0.000 0.310 351 I C 0.881 177.063 176.117 0.108 0.000 1.274 351 I CA 0.109 61.490 61.300 0.135 0.000 1.294 351 I CB 0.166 38.243 38.000 0.127 0.000 1.051 351 I HN 0.189 nan 8.210 nan 0.000 0.435 352 R N 0.936 121.518 120.500 0.137 0.000 2.716 352 R HA 0.543 4.866 4.340 -0.028 0.000 0.271 352 R C -1.297 175.085 176.300 0.137 0.000 1.028 352 R CA -0.196 55.965 56.100 0.102 0.000 0.883 352 R CB 2.071 32.414 30.300 0.072 0.000 1.250 352 R HN 0.307 nan 8.270 nan 0.000 0.465 353 S N 1.509 117.255 115.700 0.077 0.000 2.599 353 S HA 0.766 5.219 4.470 -0.028 0.000 0.294 353 S C -0.920 173.652 174.600 -0.047 0.000 1.094 353 S CA -0.981 57.262 58.200 0.072 0.000 0.931 353 S CB 2.212 65.439 63.200 0.045 0.000 1.093 353 S HN 0.566 nan 8.310 nan 0.000 0.488 354 R N 0.763 121.176 120.500 -0.145 0.000 2.774 354 R HA 0.548 4.871 4.340 -0.028 0.000 0.272 354 R C -1.832 174.276 176.300 -0.320 0.000 1.000 354 R CA -0.589 55.275 56.100 -0.393 0.000 0.906 354 R CB 1.645 31.339 30.300 -1.010 0.000 1.227 354 R HN 0.890 nan 8.270 nan 0.000 0.468 355 D N 2.027 122.238 120.400 -0.316 0.000 2.593 355 D HA 0.333 4.957 4.640 -0.028 0.000 0.251 355 D C -0.836 175.310 176.300 -0.257 0.000 1.140 355 D CA -0.417 53.447 54.000 -0.226 0.000 0.855 355 D CB 1.349 42.064 40.800 -0.143 0.000 1.267 355 D HN 0.196 nan 8.370 nan 0.000 0.532 356 I N 2.207 122.624 120.570 -0.255 0.000 2.433 356 I HA 0.258 4.411 4.170 -0.028 0.000 0.292 356 I C 0.144 176.142 176.117 -0.198 0.000 1.001 356 I CA -0.736 60.422 61.300 -0.237 0.000 1.119 356 I CB 1.260 39.061 38.000 -0.332 0.000 1.289 356 I HN 0.224 nan 8.210 nan 0.000 0.438 357 S N 7.100 122.729 115.700 -0.118 0.000 2.519 357 S HA 0.813 5.266 4.470 -0.028 0.000 0.309 357 S C -0.716 173.848 174.600 -0.059 0.000 1.100 357 S CA -0.508 57.633 58.200 -0.098 0.000 1.059 357 S CB 0.723 63.883 63.200 -0.066 0.000 1.008 357 S HN 0.427 nan 8.310 nan 0.000 0.478 358 L N 3.539 124.715 121.223 -0.078 0.000 2.322 358 L HA 0.958 5.281 4.340 -0.028 0.000 0.269 358 L C 0.811 177.662 176.870 -0.031 0.000 1.012 358 L CA -0.890 53.932 54.840 -0.030 0.000 0.815 358 L CB 1.832 43.872 42.059 -0.032 0.000 1.295 358 L HN 0.760 nan 8.230 nan 0.000 0.438 359 G N -0.644 108.152 108.800 -0.007 0.000 2.911 359 G HA2 0.271 4.214 3.960 -0.028 0.000 0.299 359 G HA3 0.271 4.214 3.960 -0.028 0.000 0.299 359 G C -0.546 174.355 174.900 0.001 0.000 1.283 359 G CA -0.084 45.010 45.100 -0.011 0.000 0.805 359 G HN 0.631 nan 8.290 nan 0.000 0.548 360 D N -0.430 119.971 120.400 0.002 0.000 2.355 360 D HA 0.044 4.667 4.640 -0.028 0.000 0.218 360 D C -0.475 175.837 176.300 0.020 0.000 1.004 360 D CA 0.366 54.372 54.000 0.010 0.000 0.880 360 D CB 0.424 41.228 40.800 0.006 0.000 0.911 360 D HN 0.141 nan 8.370 nan 0.000 0.528 361 D N 1.524 121.936 120.400 0.021 0.000 2.185 361 D HA 0.302 4.926 4.640 -0.028 0.000 0.247 361 D C -2.405 173.919 176.300 0.039 0.000 1.027 361 D CA -1.585 52.431 54.000 0.028 0.000 0.861 361 D CB 2.046 42.859 40.800 0.022 0.000 1.202 361 D HN -0.068 nan 8.370 nan 0.000 0.453 362 P HA 0.298 nan 4.420 nan 0.000 0.266 362 P C 0.053 177.392 177.300 0.065 0.000 1.195 362 P CA 0.231 63.368 63.100 0.062 0.000 0.768 362 P CB 0.596 32.336 31.700 0.066 0.000 0.838 363 G N 1.151 109.998 108.800 0.079 0.000 2.392 363 G HA2 0.114 4.058 3.960 -0.028 0.000 0.677 363 G HA3 0.114 4.058 3.960 -0.028 0.000 0.677 363 G C -1.705 173.248 174.900 0.089 0.000 1.334 363 G CA -0.863 44.288 45.100 0.086 0.000 0.961 363 G HN 0.463 nan 8.290 nan 0.000 0.616 364 I N 0.852 121.483 120.570 0.101 0.000 2.533 364 I HA 0.397 4.550 4.170 -0.028 0.000 0.290 364 I C 0.201 176.378 176.117 0.099 0.000 1.056 364 I CA -0.868 60.505 61.300 0.122 0.000 1.057 364 I CB 2.059 40.186 38.000 0.210 0.000 1.240 364 I HN 0.602 nan 8.210 nan 0.000 0.423 365 N N 4.367 123.104 118.700 0.061 0.000 2.725 365 N HA -0.189 4.534 4.740 -0.028 0.000 0.249 365 N C 0.842 176.371 175.510 0.031 0.000 1.103 365 N CA 1.476 54.546 53.050 0.034 0.000 0.707 365 N CB -0.951 37.560 38.487 0.041 0.000 1.043 365 N HN 1.196 nan 8.380 nan 0.000 0.553 366 G N -1.349 107.471 108.800 0.033 0.000 2.179 366 G HA2 -0.321 3.622 3.960 -0.028 0.000 0.260 366 G HA3 -0.321 3.622 3.960 -0.028 0.000 0.260 366 G C -0.206 174.717 174.900 0.038 0.000 0.977 366 G CA 0.643 45.759 45.100 0.028 0.000 0.641 366 G HN 0.530 nan 8.290 nan 0.000 0.533 367 Q N -0.424 119.408 119.800 0.054 0.000 2.356 367 Q HA 0.654 4.978 4.340 -0.028 0.000 0.270 367 Q C 0.272 176.323 176.000 0.085 0.000 1.058 367 Q CA -0.863 54.977 55.803 0.062 0.000 0.802 367 Q CB 2.122 30.898 28.738 0.064 0.000 1.303 367 Q HN 0.293 nan 8.270 nan 0.000 0.444 368 L N 1.095 122.367 121.223 0.083 0.000 2.453 368 L HA 0.208 4.531 4.340 -0.028 0.000 0.261 368 L C 0.070 177.046 176.870 0.176 0.000 1.179 368 L CA -0.477 54.433 54.840 0.118 0.000 0.813 368 L CB 0.244 42.354 42.059 0.085 0.000 1.110 368 L HN 0.671 nan 8.230 nan 0.000 0.466 369 W N 3.626 124.918 121.300 -0.012 0.000 2.295 369 W HA 0.019 4.657 4.660 -0.036 0.000 0.335 369 W C -0.213 176.297 176.519 -0.016 0.000 1.351 369 W CA -0.322 57.008 57.345 -0.025 0.000 1.273 369 W CB 0.041 29.474 29.460 -0.045 0.000 1.214 369 W HN 0.332 nan 8.180 nan 0.000 0.563 370 D N 5.266 125.669 120.400 0.004 0.000 2.473 370 D HA 0.100 4.724 4.640 -0.028 0.000 0.253 370 D C 0.997 177.149 176.300 -0.245 0.000 1.233 370 D CA -0.337 53.537 54.000 -0.210 0.000 0.908 370 D CB 1.197 41.962 40.800 -0.060 0.000 1.170 370 D HN 0.264 nan 8.370 nan 0.000 0.558 371 V N 2.433 122.044 119.914 -0.506 0.000 2.527 371 V HA -0.255 3.848 4.120 -0.028 0.000 0.255 371 V C 1.069 177.119 176.094 -0.074 0.000 1.081 371 V CA 1.946 64.091 62.300 -0.258 0.000 1.092 371 V CB -0.921 30.711 31.823 -0.317 0.000 0.673 371 V HN 0.438 nan 8.190 nan 0.000 0.470 372 N N -0.036 118.610 118.700 -0.091 0.000 2.412 372 N HA 0.116 4.839 4.740 -0.028 0.000 0.184 372 N C 0.862 176.350 175.510 -0.036 0.000 1.101 372 N CA 0.116 53.130 53.050 -0.059 0.000 0.881 372 N CB 0.039 38.496 38.487 -0.050 0.000 0.969 372 N HN 0.550 nan 8.380 nan 0.000 0.459 373 R N 1.482 121.981 120.500 -0.002 0.000 2.295 373 R HA 0.272 4.595 4.340 -0.028 0.000 0.324 373 R C -1.081 175.256 176.300 0.062 0.000 0.968 373 R CA -0.560 55.556 56.100 0.026 0.000 0.837 373 R CB 0.529 30.851 30.300 0.036 0.000 1.133 373 R HN -0.056 nan 8.270 nan 0.000 0.450 374 I N 4.926 125.521 120.570 0.042 0.000 2.312 374 I HA 0.053 4.206 4.170 -0.028 0.000 0.291 374 I C 0.737 176.908 176.117 0.090 0.000 1.031 374 I CA -0.046 61.292 61.300 0.063 0.000 1.293 374 I CB 1.337 39.351 38.000 0.024 0.000 1.403 374 I HN 0.719 nan 8.210 nan 0.000 0.484 375 D N 4.864 125.357 120.400 0.155 0.000 2.240 375 D HA 0.049 4.672 4.640 -0.028 0.000 0.206 375 D C 0.289 176.687 176.300 0.163 0.000 0.963 375 D CA 1.189 55.303 54.000 0.190 0.000 0.863 375 D CB 1.024 42.008 40.800 0.307 0.000 0.973 375 D HN 0.204 nan 8.370 nan 0.000 0.501 376 V N 0.561 120.595 119.914 0.200 0.000 2.686 376 V HA 0.274 4.377 4.120 -0.028 0.000 0.306 376 V C -0.464 175.674 176.094 0.074 0.000 1.065 376 V CA -0.615 61.741 62.300 0.094 0.000 0.894 376 V CB 2.404 34.274 31.823 0.078 0.000 1.004 376 V HN -0.170 nan 8.190 nan 0.000 0.424 377 T N 4.153 118.700 114.554 -0.012 0.000 2.791 377 T HA 0.774 5.107 4.350 -0.028 0.000 0.288 377 T C -0.016 174.603 174.700 -0.134 0.000 0.999 377 T CA -0.125 61.941 62.100 -0.056 0.000 0.952 377 T CB 1.462 70.299 68.868 -0.053 0.000 0.938 377 T HN 0.977 nan 8.240 nan 0.000 0.444 378 A N 3.011 125.697 122.820 -0.223 0.000 2.344 378 A HA 0.868 5.171 4.320 -0.028 0.000 0.307 378 A C -0.642 176.756 177.584 -0.309 0.000 1.151 378 A CA -0.822 50.965 52.037 -0.417 0.000 0.842 378 A CB 1.405 19.766 19.000 -1.066 0.000 1.350 378 A HN 0.567 nan 8.150 nan 0.000 0.459 379 Q N 0.525 120.148 119.800 -0.295 0.000 2.307 379 Q HA 0.381 4.704 4.340 -0.028 0.000 0.262 379 Q C -0.319 175.587 176.000 -0.156 0.000 0.961 379 Q CA -0.265 55.434 55.803 -0.172 0.000 0.882 379 Q CB 1.240 29.920 28.738 -0.097 0.000 1.264 379 Q HN 0.716 nan 8.270 nan 0.000 0.446 380 Q N 2.460 122.182 119.800 -0.130 0.000 2.349 380 Q HA 0.256 4.579 4.340 -0.028 0.000 0.287 380 Q C 0.396 176.331 176.000 -0.109 0.000 1.044 380 Q CA 1.459 57.187 55.803 -0.124 0.000 0.918 380 Q CB 0.128 28.799 28.738 -0.112 0.000 1.242 380 Q HN 1.019 nan 8.270 nan 0.000 0.405 381 G N 2.300 110.974 108.800 -0.209 0.000 2.176 381 G HA2 -0.260 3.684 3.960 -0.028 0.000 0.253 381 G HA3 -0.260 3.684 3.960 -0.028 0.000 0.253 381 G C 0.232 175.163 174.900 0.051 0.000 0.979 381 G CA 0.348 45.401 45.100 -0.078 0.000 0.641 381 G HN 0.720 nan 8.290 nan 0.000 0.530 382 T N -0.877 113.663 114.554 -0.025 0.000 2.923 382 T HA 0.646 4.980 4.350 -0.028 0.000 0.281 382 T C -0.945 173.866 174.700 0.186 0.000 0.995 382 T CA -0.326 61.878 62.100 0.173 0.000 0.985 382 T CB 0.792 69.736 68.868 0.127 0.000 1.114 382 T HN 0.322 nan 8.240 nan 0.000 0.548 383 W N 1.110 122.595 121.300 0.308 0.000 2.761 383 W HA 0.644 5.288 4.660 -0.027 0.000 0.340 383 W C -0.045 176.679 176.519 0.342 0.000 1.072 383 W CA -0.598 56.959 57.345 0.353 0.000 1.215 383 W CB 1.198 30.826 29.460 0.281 0.000 1.420 383 W HN 0.580 nan 8.180 nan 0.000 0.519 384 E N 1.028 121.607 120.200 0.632 0.000 2.408 384 E HA 0.406 4.740 4.350 -0.028 0.000 0.275 384 E C -1.259 175.629 176.600 0.480 0.000 0.935 384 E CA -1.509 55.221 56.400 0.551 0.000 0.775 384 E CB 2.912 33.054 29.700 0.736 0.000 1.277 384 E HN 0.308 nan 8.360 nan 0.000 0.455 385 R N 2.008 122.759 120.500 0.418 0.000 2.265 385 R HA 0.286 4.610 4.340 -0.028 0.000 0.328 385 R C -1.500 175.058 176.300 0.431 0.000 0.969 385 R CA -0.485 55.815 56.100 0.334 0.000 0.832 385 R CB 0.582 31.003 30.300 0.201 0.000 1.139 385 R HN 0.360 nan 8.270 nan 0.000 0.457 386 W N 2.595 123.907 121.300 0.019 0.000 2.478 386 W HA 0.338 4.980 4.660 -0.030 0.000 0.318 386 W C -0.310 176.155 176.519 -0.089 0.000 1.062 386 W CA -0.564 56.755 57.345 -0.045 0.000 1.210 386 W CB 2.234 31.648 29.460 -0.077 0.000 1.325 386 W HN 0.371 nan 8.180 nan 0.000 0.496 387 T N 3.356 117.946 114.554 0.060 0.000 2.749 387 T HA 0.508 4.841 4.350 -0.028 0.000 0.287 387 T C -0.544 174.099 174.700 -0.095 0.000 0.970 387 T CA -0.448 61.640 62.100 -0.020 0.000 0.980 387 T CB 0.742 69.586 68.868 -0.040 0.000 0.924 387 T HN 0.058 nan 8.240 nan 0.000 0.456 388 V N 5.528 125.364 119.914 -0.129 0.000 2.459 388 V HA 0.598 4.702 4.120 -0.028 0.000 0.295 388 V C 0.031 176.001 176.094 -0.208 0.000 1.029 388 V CA -0.984 61.161 62.300 -0.258 0.000 0.874 388 V CB 1.532 33.105 31.823 -0.417 0.000 0.985 388 V HN 0.753 nan 8.190 nan 0.000 0.438 389 R N 2.959 123.332 120.500 -0.211 0.000 2.744 389 R HA 0.905 5.228 4.340 -0.028 0.000 0.279 389 R C -0.978 175.227 176.300 -0.159 0.000 0.977 389 R CA -0.807 55.199 56.100 -0.155 0.000 0.906 389 R CB 2.544 32.777 30.300 -0.112 0.000 1.197 389 R HN 0.787 nan 8.270 nan 0.000 0.463 390 A N 1.457 124.190 122.820 -0.144 0.000 2.429 390 A HA 0.290 4.593 4.320 -0.028 0.000 0.289 390 A C -0.596 176.920 177.584 -0.113 0.000 1.043 390 A CA -0.844 51.112 52.037 -0.135 0.000 0.722 390 A CB 1.034 19.925 19.000 -0.182 0.000 1.243 390 A HN 0.862 nan 8.150 nan 0.000 0.415 391 D N 1.054 121.407 120.400 -0.079 0.000 2.348 391 D HA 0.126 4.749 4.640 -0.028 0.000 0.211 391 D C 0.378 176.645 176.300 -0.056 0.000 0.998 391 D CA 0.617 54.582 54.000 -0.059 0.000 0.873 391 D CB 0.411 41.188 40.800 -0.039 0.000 0.925 391 D HN 0.448 nan 8.370 nan 0.000 0.524 392 E N 0.970 121.129 120.200 -0.069 0.000 2.141 392 E HA 0.341 4.674 4.350 -0.028 0.000 0.259 392 E C -2.708 173.816 176.600 -0.128 0.000 0.883 392 E CA -3.056 53.307 56.400 -0.060 0.000 0.744 392 E CB 1.266 30.949 29.700 -0.030 0.000 1.150 392 E HN -0.175 nan 8.360 nan 0.000 0.420 393 P HA -0.018 nan 4.420 nan 0.000 0.261 393 P C -1.163 175.823 177.300 -0.523 0.000 1.183 393 P CA 0.497 63.352 63.100 -0.409 0.000 0.761 393 P CB 0.271 31.881 31.700 -0.149 0.000 0.785 394 Q N 1.878 121.169 119.800 -0.849 0.000 2.702 394 Q HA 0.720 5.043 4.340 -0.028 0.000 0.289 394 Q C -1.739 174.094 176.000 -0.279 0.000 0.923 394 Q CA -1.323 54.239 55.803 -0.401 0.000 0.787 394 Q CB 1.144 29.844 28.738 -0.063 0.000 1.476 394 Q HN 0.297 nan 8.270 nan 0.000 0.402 395 A N 1.093 124.043 122.820 0.217 0.000 2.322 395 A HA 0.726 5.029 4.320 -0.028 0.000 0.269 395 A C -1.348 176.453 177.584 0.361 0.000 1.094 395 A CA -0.392 51.864 52.037 0.365 0.000 0.807 395 A CB 0.440 19.705 19.000 0.442 0.000 1.047 395 A HN 0.605 nan 8.150 nan 0.000 0.487 396 F N 0.966 121.047 119.950 0.219 0.000 2.529 396 F HA 0.581 5.091 4.527 -0.029 0.000 0.320 396 F C -0.499 175.505 175.800 0.340 0.000 1.118 396 F CA -0.498 57.641 58.000 0.232 0.000 0.915 396 F CB 1.670 40.762 39.000 0.153 0.000 1.161 396 F HN 0.816 nan 8.300 nan 0.000 0.445 397 H N 5.682 124.531 119.070 -0.369 0.000 2.572 397 H HA 0.689 5.230 4.556 -0.025 0.000 0.359 397 H C -1.480 173.591 175.328 -0.429 0.000 1.134 397 H CA -0.637 55.273 56.048 -0.229 0.000 1.187 397 H CB 1.633 31.387 29.762 -0.012 0.000 1.597 397 H HN 0.603 nan 8.280 nan 0.000 0.524 398 I N 3.740 123.824 120.570 -0.810 0.000 2.436 398 I HA 0.236 4.390 4.170 -0.028 0.000 0.289 398 I C -0.167 175.531 176.117 -0.697 0.000 1.010 398 I CA -0.714 60.268 61.300 -0.530 0.000 1.098 398 I CB 1.953 39.731 38.000 -0.370 0.000 1.266 398 I HN 0.549 nan 8.210 nan 0.000 0.434 399 E N 3.404 123.400 120.200 -0.341 0.000 2.349 399 E HA 0.369 4.702 4.350 -0.028 0.000 0.265 399 E C 0.911 177.085 176.600 -0.710 0.000 1.064 399 E CA 0.236 56.456 56.400 -0.299 0.000 0.886 399 E CB 1.054 30.779 29.700 0.043 0.000 1.036 399 E HN 0.926 nan 8.360 nan 0.000 0.413 400 G N 0.451 108.678 108.800 -0.955 0.000 2.168 400 G HA2 -0.276 3.667 3.960 -0.028 0.000 0.263 400 G HA3 -0.276 3.667 3.960 -0.028 0.000 0.263 400 G C 0.178 174.547 174.900 -0.885 0.000 0.977 400 G CA 0.657 44.858 45.100 -1.498 0.000 0.659 400 G HN 0.556 nan 8.290 nan 0.000 0.533 401 V N -3.061 116.448 119.914 -0.675 0.000 3.156 401 V HA 0.972 5.075 4.120 -0.028 0.000 0.310 401 V C -0.178 175.615 176.094 -0.500 0.000 1.234 401 V CA -0.571 61.350 62.300 -0.632 0.000 1.065 401 V CB 2.191 33.540 31.823 -0.790 0.000 1.088 401 V HN 1.229 nan 8.190 nan 0.000 0.451 402 M N 2.068 121.383 119.600 -0.476 0.000 2.433 402 M HA 0.865 5.329 4.480 -0.028 0.000 0.290 402 M C -1.627 174.574 176.300 -0.165 0.000 1.173 402 M CA -0.472 54.595 55.300 -0.387 0.000 0.905 402 M CB 2.271 34.605 32.600 -0.444 0.000 1.692 402 M HN 1.011 nan 8.290 nan 0.000 0.462 403 F N -0.061 119.940 119.950 0.086 0.000 2.629 403 F HA 0.718 5.227 4.527 -0.029 0.000 0.316 403 F C -1.373 174.645 175.800 0.362 0.000 1.081 403 F CA -0.804 57.321 58.000 0.207 0.000 0.954 403 F CB 1.768 40.737 39.000 -0.050 0.000 1.337 403 F HN 0.876 nan 8.300 nan 0.000 0.474 404 Q N 2.641 122.807 119.800 0.611 0.000 2.330 404 Q HA 0.494 4.817 4.340 -0.028 0.000 0.269 404 Q C -1.462 174.702 176.000 0.273 0.000 1.022 404 Q CA -0.748 55.204 55.803 0.248 0.000 0.796 404 Q CB 1.995 30.650 28.738 -0.138 0.000 1.271 404 Q HN 0.875 nan 8.270 nan 0.000 0.450 405 I N 4.812 125.531 120.570 0.248 0.000 2.505 405 I HA 0.039 4.192 4.170 -0.028 0.000 0.287 405 I C 1.252 177.415 176.117 0.077 0.000 1.104 405 I CA 0.139 61.538 61.300 0.166 0.000 1.387 405 I CB 0.512 38.625 38.000 0.187 0.000 1.404 405 I HN 0.638 nan 8.210 nan 0.000 0.528 406 R N 3.980 124.514 120.500 0.056 0.000 2.206 406 R HA 0.237 4.560 4.340 -0.028 0.000 0.198 406 R C 0.039 176.344 176.300 0.008 0.000 0.986 406 R CA 0.362 56.477 56.100 0.026 0.000 1.029 406 R CB 0.135 30.455 30.300 0.033 0.000 0.966 406 R HN 0.623 nan 8.270 nan 0.000 0.487 407 N N -0.097 118.611 118.700 0.013 0.000 2.504 407 N HA 0.221 4.944 4.740 -0.028 0.000 0.268 407 N C -1.660 173.854 175.510 0.008 0.000 1.184 407 N CA -0.411 52.638 53.050 -0.002 0.000 0.875 407 N CB 3.357 41.840 38.487 -0.006 0.000 1.630 407 N HN -0.251 nan 8.380 nan 0.000 0.486 408 V N 2.639 122.553 119.914 -0.001 0.000 2.380 408 V HA 0.338 4.441 4.120 -0.028 0.000 0.286 408 V C 0.136 176.234 176.094 0.006 0.000 1.015 408 V CA -0.708 61.604 62.300 0.020 0.000 0.834 408 V CB 0.761 32.615 31.823 0.052 0.000 1.009 408 V HN 0.723 nan 8.190 nan 0.000 0.428 409 N N 4.144 122.846 118.700 0.003 0.000 2.740 409 N HA -0.218 4.505 4.740 -0.028 0.000 0.248 409 N C 1.243 176.747 175.510 -0.010 0.000 1.062 409 N CA 1.409 54.458 53.050 -0.002 0.000 0.704 409 N CB -0.902 37.592 38.487 0.012 0.000 0.968 409 N HN 1.486 nan 8.380 nan 0.000 0.547 410 G N -2.410 106.381 108.800 -0.014 0.000 2.184 410 G HA2 -0.163 3.780 3.960 -0.028 0.000 0.264 410 G HA3 -0.163 3.780 3.960 -0.028 0.000 0.264 410 G C 0.235 175.119 174.900 -0.027 0.000 0.975 410 G CA 1.056 46.146 45.100 -0.017 0.000 0.642 410 G HN 1.144 nan 8.290 nan 0.000 0.536 411 A N -0.408 122.390 122.820 -0.037 0.000 2.309 411 A HA 0.900 5.203 4.320 -0.028 0.000 0.317 411 A C 0.420 177.953 177.584 -0.084 0.000 1.134 411 A CA -0.401 51.598 52.037 -0.063 0.000 0.866 411 A CB 0.792 19.745 19.000 -0.079 0.000 1.329 411 A HN 0.481 nan 8.150 nan 0.000 0.477 412 M N 1.569 121.099 119.600 -0.116 0.000 2.245 412 M HA 0.209 4.672 4.480 -0.028 0.000 0.344 412 M C -2.007 174.173 176.300 -0.200 0.000 1.170 412 M CA -1.055 54.168 55.300 -0.128 0.000 1.135 412 M CB 0.376 32.899 32.600 -0.128 0.000 1.574 412 M HN 0.422 nan 8.290 nan 0.000 0.452 413 P HA 0.229 nan 4.420 nan 0.000 0.276 413 P C -0.983 176.230 177.300 -0.145 0.000 1.244 413 P CA -0.305 62.739 63.100 -0.094 0.000 0.801 413 P CB 0.370 32.088 31.700 0.031 0.000 1.006 414 F N 1.026 121.004 119.950 0.046 0.000 2.496 414 F HA 0.114 4.625 4.527 -0.028 0.000 0.344 414 F C -0.868 174.950 175.800 0.029 0.000 1.155 414 F CA -1.069 56.953 58.000 0.036 0.000 1.302 414 F CB -0.597 38.426 39.000 0.039 0.000 1.159 414 F HN 0.362 nan 8.300 nan 0.000 0.595 415 P HA -0.251 nan 4.420 nan 0.000 0.216 415 P C 1.258 178.620 177.300 0.104 0.000 1.154 415 P CA 1.818 64.987 63.100 0.116 0.000 0.865 415 P CB -0.151 31.613 31.700 0.106 0.000 0.789 416 E N -0.470 119.807 120.200 0.128 0.000 2.338 416 E HA -0.180 4.153 4.350 -0.028 0.000 0.197 416 E C 0.446 177.104 176.600 0.097 0.000 1.007 416 E CA 1.181 57.638 56.400 0.095 0.000 0.849 416 E CB -0.844 28.901 29.700 0.075 0.000 0.774 416 E HN 0.236 nan 8.360 nan 0.000 0.506 417 D N 0.702 121.179 120.400 0.128 0.000 2.368 417 D HA 0.129 4.752 4.640 -0.028 0.000 0.218 417 D C 0.857 177.207 176.300 0.084 0.000 1.112 417 D CA -0.027 54.051 54.000 0.130 0.000 0.834 417 D CB 0.195 41.109 40.800 0.190 0.000 0.953 417 D HN 0.185 nan 8.370 nan 0.000 0.505 418 R N -0.137 120.386 120.500 0.038 0.000 2.359 418 R HA 0.268 4.591 4.340 -0.028 0.000 0.231 418 R C 1.252 177.482 176.300 -0.118 0.000 0.913 418 R CA -0.169 55.914 56.100 -0.027 0.000 1.075 418 R CB 0.969 31.252 30.300 -0.029 0.000 1.087 418 R HN -0.039 nan 8.270 nan 0.000 0.515 419 G N 0.031 108.775 108.800 -0.093 0.000 2.543 419 G HA2 0.163 4.106 3.960 -0.028 0.000 0.267 419 G HA3 0.163 4.106 3.960 -0.028 0.000 0.267 419 G C -1.050 173.713 174.900 -0.228 0.000 1.406 419 G CA -0.778 44.215 45.100 -0.177 0.000 1.048 419 G HN 0.132 nan 8.290 nan 0.000 0.548 420 W N 0.045 121.340 121.300 -0.008 0.000 2.261 420 W HA 0.592 5.235 4.660 -0.029 0.000 0.323 420 W C 0.588 177.006 176.519 -0.167 0.000 1.243 420 W CA -0.288 57.012 57.345 -0.075 0.000 1.210 420 W CB 1.060 30.473 29.460 -0.078 0.000 1.149 420 W HN 0.193 nan 8.180 nan 0.000 0.562 421 K N 0.609 120.953 120.400 -0.095 0.000 2.469 421 K HA 0.192 4.495 4.320 -0.028 0.000 0.268 421 K C -0.451 175.582 176.600 -0.946 0.000 1.027 421 K CA -0.676 55.383 56.287 -0.380 0.000 0.893 421 K CB 2.057 34.410 32.500 -0.246 0.000 1.460 421 K HN 0.478 nan 8.250 nan 0.000 0.449 422 D N -1.729 118.270 120.400 -0.668 0.000 2.516 422 D HA 0.082 4.706 4.640 -0.028 0.000 0.241 422 D C -0.605 175.673 176.300 -0.037 0.000 1.246 422 D CA -0.017 53.631 54.000 -0.587 0.000 0.808 422 D CB 0.859 41.508 40.800 -0.251 0.000 1.147 422 D HN 0.244 nan 8.370 nan 0.000 0.527 423 T N 0.269 114.920 114.554 0.162 0.000 2.916 423 T HA 0.622 4.955 4.350 -0.028 0.000 0.298 423 T C -1.508 173.481 174.700 0.482 0.000 1.031 423 T CA -0.806 61.542 62.100 0.413 0.000 0.993 423 T CB 2.558 71.645 68.868 0.366 0.000 1.045 423 T HN 0.013 nan 8.240 nan 0.000 0.454 424 V N 3.407 123.635 119.914 0.523 0.000 2.888 424 V HA 0.628 4.731 4.120 -0.028 0.000 0.309 424 V C -1.546 174.810 176.094 0.437 0.000 1.114 424 V CA -0.996 61.586 62.300 0.470 0.000 0.940 424 V CB 2.096 34.184 31.823 0.441 0.000 1.021 424 V HN 0.986 nan 8.190 nan 0.000 0.426 425 W N 7.016 128.438 121.300 0.203 0.000 2.345 425 W HA 0.591 5.232 4.660 -0.032 0.000 0.308 425 W C -1.477 175.124 176.519 0.136 0.000 1.273 425 W CA -0.409 57.030 57.345 0.156 0.000 1.243 425 W CB 1.559 31.091 29.460 0.120 0.000 1.260 425 W HN 0.514 nan 8.180 nan 0.000 0.509 426 V N 6.866 126.505 119.914 -0.458 0.000 2.350 426 V HA 0.071 4.175 4.120 -0.028 0.000 0.285 426 V C -0.499 175.222 176.094 -0.622 0.000 1.014 426 V CA -0.296 61.771 62.300 -0.388 0.000 0.831 426 V CB 1.261 32.948 31.823 -0.227 0.000 1.000 426 V HN 0.463 nan 8.190 nan 0.000 0.433 427 D N 3.647 123.804 120.400 -0.405 0.000 2.400 427 D HA 0.578 5.202 4.640 -0.028 0.000 0.272 427 D C 0.615 176.854 176.300 -0.102 0.000 1.220 427 D CA 0.919 54.761 54.000 -0.263 0.000 0.897 427 D CB 0.939 41.691 40.800 -0.080 0.000 1.134 427 D HN 0.725 nan 8.370 nan 0.000 0.507 428 G N 3.004 111.737 108.800 -0.111 0.000 2.979 428 G HA2 -0.141 3.802 3.960 -0.028 0.000 0.238 428 G HA3 -0.141 3.802 3.960 -0.028 0.000 0.238 428 G C -0.374 174.478 174.900 -0.079 0.000 1.805 428 G CA 0.019 45.079 45.100 -0.067 0.000 1.389 428 G HN 0.657 nan 8.290 nan 0.000 0.517 429 Q N -0.317 119.446 119.800 -0.061 0.000 2.391 429 Q HA 0.558 4.882 4.340 -0.028 0.000 0.279 429 Q C -1.211 174.763 176.000 -0.043 0.000 1.028 429 Q CA -0.360 55.404 55.803 -0.065 0.000 0.836 429 Q CB 2.696 31.403 28.738 -0.052 0.000 1.414 429 Q HN 1.645 nan 8.270 nan 0.000 0.397 430 V N -0.681 119.202 119.914 -0.052 0.000 3.007 430 V HA 0.749 4.853 4.120 -0.028 0.000 0.311 430 V C -1.252 174.825 176.094 -0.029 0.000 1.120 430 V CA -0.770 61.515 62.300 -0.025 0.000 0.980 430 V CB 1.905 33.724 31.823 -0.008 0.000 1.033 430 V HN 0.916 nan 8.190 nan 0.000 0.429 431 E N 2.657 122.852 120.200 -0.008 0.000 2.176 431 E HA 0.694 5.027 4.350 -0.028 0.000 0.267 431 E C -1.661 174.945 176.600 0.010 0.000 0.893 431 E CA -0.796 55.609 56.400 0.008 0.000 0.761 431 E CB 1.860 31.572 29.700 0.019 0.000 1.133 431 E HN 0.825 nan 8.360 nan 0.000 0.409 432 L N 4.139 125.366 121.223 0.006 0.000 2.346 432 L HA 0.472 4.795 4.340 -0.028 0.000 0.274 432 L C -0.770 176.149 176.870 0.082 0.000 1.007 432 L CA -1.320 53.500 54.840 -0.034 0.000 0.818 432 L CB 1.577 43.427 42.059 -0.347 0.000 1.284 432 L HN 0.517 nan 8.230 nan 0.000 0.424 433 L N 4.036 125.361 121.223 0.171 0.000 2.283 433 L HA 0.458 4.782 4.340 -0.028 0.000 0.281 433 L C -0.494 176.599 176.870 0.372 0.000 1.033 433 L CA -0.211 54.809 54.840 0.300 0.000 0.848 433 L CB 1.176 43.427 42.059 0.320 0.000 1.226 433 L HN 0.271 nan 8.230 nan 0.000 0.429 434 V N 5.118 125.125 119.914 0.155 0.000 2.481 434 V HA 0.286 4.389 4.120 -0.028 0.000 0.286 434 V C -0.702 175.183 176.094 -0.348 0.000 1.042 434 V CA -0.664 61.509 62.300 -0.213 0.000 0.928 434 V CB 1.158 32.476 31.823 -0.840 0.000 0.986 434 V HN 0.611 nan 8.190 nan 0.000 0.462 435 Y N 4.551 124.343 120.300 -0.846 0.000 2.335 435 Y HA 0.587 5.120 4.550 -0.028 0.000 0.338 435 Y C -0.629 174.654 175.900 -1.028 0.000 0.977 435 Y CA -1.703 55.668 58.100 -1.216 0.000 1.114 435 Y CB 1.379 38.825 38.460 -1.690 0.000 1.182 435 Y HN 0.550 nan 8.280 nan 0.000 0.463 436 F N 5.308 124.599 119.950 -1.097 0.000 2.467 436 F HA 0.332 4.842 4.527 -0.028 0.000 0.349 436 F C 1.258 176.474 175.800 -0.974 0.000 1.182 436 F CA -0.219 57.303 58.000 -0.797 0.000 1.279 436 F CB 0.637 39.373 39.000 -0.440 0.000 1.626 436 F HN 0.849 nan 8.300 nan 0.000 0.596 437 G N 0.606 108.859 108.800 -0.912 0.000 2.920 437 G HA2 0.034 3.977 3.960 -0.028 0.000 0.208 437 G HA3 0.034 3.977 3.960 -0.028 0.000 0.208 437 G C 0.544 175.302 174.900 -0.238 0.000 1.159 437 G CA 0.166 44.916 45.100 -0.582 0.000 0.784 437 G HN 0.277 nan 8.290 nan 0.000 0.535 438 Q N 0.154 119.850 119.800 -0.173 0.000 2.394 438 Q HA 0.389 4.712 4.340 -0.028 0.000 0.273 438 Q C -2.837 173.251 176.000 0.147 0.000 1.089 438 Q CA -2.043 53.771 55.803 0.020 0.000 0.812 438 Q CB 3.108 31.882 28.738 0.061 0.000 1.353 438 Q HN 0.053 nan 8.270 nan 0.000 0.438 439 P HA 0.321 nan 4.420 nan 0.000 0.282 439 P C -0.862 176.105 177.300 -0.556 0.000 1.259 439 P CA -0.293 62.635 63.100 -0.287 0.000 0.826 439 P CB 1.492 32.948 31.700 -0.407 0.000 1.064 440 S N 0.208 115.336 115.700 -0.952 0.000 2.638 440 S HA 0.739 5.193 4.470 -0.028 0.000 0.274 440 S C -1.551 172.481 174.600 -0.945 0.000 1.157 440 S CA -0.720 56.907 58.200 -0.955 0.000 0.826 440 S CB 1.470 63.947 63.200 -1.205 0.000 1.139 440 S HN 0.499 nan 8.310 nan 0.000 0.474 441 W N -0.656 120.561 121.300 -0.138 0.000 2.962 441 W HA 0.597 5.240 4.660 -0.029 0.000 0.341 441 W C 1.176 177.674 176.519 -0.036 0.000 1.155 441 W CA -0.645 56.684 57.345 -0.026 0.000 1.165 441 W CB 1.997 31.501 29.460 0.073 0.000 1.435 441 W HN 0.991 nan 8.180 nan 0.000 0.546 442 A N 0.604 123.505 122.820 0.136 0.000 1.940 442 A HA -0.257 4.046 4.320 -0.028 0.000 0.221 442 A C 1.404 178.857 177.584 -0.219 0.000 1.190 442 A CA 1.906 53.890 52.037 -0.089 0.000 0.647 442 A CB -0.805 18.090 19.000 -0.176 0.000 0.821 442 A HN 0.665 nan 8.150 nan 0.000 0.457 443 H N -3.537 115.568 119.070 0.058 0.000 2.551 443 H HA 0.254 4.793 4.556 -0.029 0.000 0.271 443 H C -0.619 174.462 175.328 -0.411 0.000 0.984 443 H CA 0.219 56.165 56.048 -0.169 0.000 1.164 443 H CB 0.215 29.826 29.762 -0.250 0.000 1.437 443 H HN 0.512 nan 8.280 nan 0.000 0.550 444 F N 1.558 121.569 119.950 0.102 0.000 2.566 444 F HA 0.264 4.774 4.527 -0.028 0.000 0.347 444 F C -2.361 173.342 175.800 -0.160 0.000 1.515 444 F CA -1.906 56.109 58.000 0.025 0.000 1.103 444 F CB 1.385 40.446 39.000 0.101 0.000 1.385 444 F HN -0.042 nan 8.300 nan 0.000 0.560 445 P HA 0.219 nan 4.420 nan 0.000 0.277 445 P C -0.506 176.452 177.300 -0.570 0.000 1.271 445 P CA -0.215 62.682 63.100 -0.339 0.000 0.795 445 P CB 1.247 32.812 31.700 -0.224 0.000 1.101 446 F N -0.772 119.011 119.950 -0.278 0.000 2.397 446 F HA 0.371 4.881 4.527 -0.030 0.000 0.331 446 F C 0.551 176.133 175.800 -0.364 0.000 1.090 446 F CA 0.034 57.867 58.000 -0.279 0.000 1.065 446 F CB 0.262 39.229 39.000 -0.055 0.000 1.184 446 F HN 0.172 nan 8.300 nan 0.000 0.499 447 Y N 1.801 122.239 120.300 0.229 0.000 2.457 447 Y HA 0.567 5.104 4.550 -0.021 0.000 0.333 447 Y C -0.391 175.563 175.900 0.090 0.000 1.119 447 Y CA -1.500 56.602 58.100 0.004 0.000 1.143 447 Y CB 1.101 39.455 38.460 -0.177 0.000 1.230 447 Y HN 0.375 nan 8.280 nan 0.000 0.469 448 F N 0.502 120.557 119.950 0.174 0.000 2.540 448 F HA 0.814 5.325 4.527 -0.026 0.000 0.317 448 F C -1.017 174.807 175.800 0.041 0.000 1.104 448 F CA -1.127 56.883 58.000 0.016 0.000 0.913 448 F CB 1.488 40.588 39.000 0.165 0.000 1.170 448 F HN 0.583 nan 8.300 nan 0.000 0.450 449 N N -0.208 118.524 118.700 0.053 0.000 2.927 449 N HA 0.416 5.139 4.740 -0.028 0.000 0.248 449 N C -1.673 173.973 175.510 0.226 0.000 1.443 449 N CA -1.168 51.948 53.050 0.110 0.000 0.870 449 N CB 1.691 40.162 38.487 -0.026 0.000 1.444 449 N HN 0.675 nan 8.380 nan 0.000 0.519 450 S N -0.357 115.491 115.700 0.247 0.000 2.564 450 S HA 0.047 4.501 4.470 -0.028 0.000 0.278 450 S C 0.387 175.098 174.600 0.185 0.000 1.333 450 S CA -0.223 58.132 58.200 0.259 0.000 1.048 450 S CB 0.541 63.850 63.200 0.183 0.000 0.900 450 S HN 0.556 nan 8.310 nan 0.000 0.505 451 Q N 2.506 122.434 119.800 0.214 0.000 2.403 451 Q HA 0.081 4.405 4.340 -0.028 0.000 0.203 451 Q C 0.159 176.258 176.000 0.165 0.000 0.932 451 Q CA 0.397 56.311 55.803 0.185 0.000 0.945 451 Q CB -0.123 28.752 28.738 0.229 0.000 1.045 451 Q HN 0.691 nan 8.270 nan 0.000 0.511 452 T N 2.148 116.801 114.554 0.165 0.000 2.775 452 T HA 0.135 4.468 4.350 -0.028 0.000 0.281 452 T C 1.734 176.510 174.700 0.127 0.000 0.908 452 T CA -0.074 62.117 62.100 0.152 0.000 1.123 452 T CB 0.165 69.118 68.868 0.143 0.000 0.879 452 T HN 0.190 nan 8.240 nan 0.000 0.547 453 L N 2.615 123.913 121.223 0.125 0.000 2.051 453 L HA -0.215 4.108 4.340 -0.028 0.000 0.214 453 L C 2.478 179.405 176.870 0.095 0.000 1.076 453 L CA 1.583 56.480 54.840 0.096 0.000 0.758 453 L CB -0.413 41.698 42.059 0.088 0.000 0.890 453 L HN 0.531 nan 8.230 nan 0.000 0.433 454 E N -0.705 119.573 120.200 0.129 0.000 2.106 454 E HA -0.184 4.149 4.350 -0.028 0.000 0.192 454 E C 2.194 178.854 176.600 0.100 0.000 0.984 454 E CA 1.051 57.528 56.400 0.128 0.000 0.806 454 E CB -0.120 29.675 29.700 0.158 0.000 0.750 454 E HN 0.289 nan 8.360 nan 0.000 0.458 455 M N -0.053 119.605 119.600 0.097 0.000 2.132 455 M HA -0.018 4.446 4.480 -0.028 0.000 0.263 455 M C 2.270 178.614 176.300 0.074 0.000 1.065 455 M CA 1.486 56.838 55.300 0.085 0.000 1.122 455 M CB -1.188 31.465 32.600 0.090 0.000 1.365 455 M HN 0.177 nan 8.290 nan 0.000 0.411 456 A N 0.260 123.115 122.820 0.058 0.000 1.877 456 A HA -0.186 4.118 4.320 -0.028 0.000 0.216 456 A C 1.960 179.556 177.584 0.020 0.000 1.186 456 A CA 1.955 53.995 52.037 0.005 0.000 0.620 456 A CB -0.819 18.164 19.000 -0.028 0.000 0.822 456 A HN 0.383 nan 8.150 nan 0.000 0.443 457 D N -0.577 119.852 120.400 0.049 0.000 2.182 457 D HA -0.113 4.511 4.640 -0.028 0.000 0.201 457 D C 1.951 178.318 176.300 0.112 0.000 0.986 457 D CA 0.996 55.044 54.000 0.080 0.000 0.847 457 D CB -0.223 40.620 40.800 0.073 0.000 0.942 457 D HN 0.443 nan 8.370 nan 0.000 0.467 458 R N -1.081 119.479 120.500 0.100 0.000 2.313 458 R HA 0.204 4.528 4.340 -0.028 0.000 0.199 458 R C 1.189 177.561 176.300 0.120 0.000 0.958 458 R CA 0.604 56.764 56.100 0.099 0.000 1.047 458 R CB 0.593 30.941 30.300 0.080 0.000 0.955 458 R HN 0.169 nan 8.270 nan 0.000 0.481 459 G N -0.461 108.433 108.800 0.156 0.000 2.183 459 G HA2 -0.187 3.757 3.960 -0.028 0.000 0.168 459 G HA3 -0.187 3.757 3.960 -0.028 0.000 0.168 459 G C 0.193 175.181 174.900 0.147 0.000 1.008 459 G CA -0.371 44.856 45.100 0.211 0.000 0.677 459 G HN 0.194 nan 8.290 nan 0.000 0.498 460 S N 1.044 116.795 115.700 0.085 0.000 3.811 460 S HA 0.532 4.985 4.470 -0.028 0.000 0.205 460 S C 0.412 175.014 174.600 0.003 0.000 1.445 460 S CA 0.276 58.520 58.200 0.072 0.000 1.097 460 S CB -0.406 62.848 63.200 0.090 0.000 1.350 460 S HN 0.445 nan 8.310 nan 0.000 0.471 461 I N 0.603 121.121 120.570 -0.086 0.000 2.686 461 I HA 0.583 4.737 4.170 -0.028 0.000 0.295 461 I C 0.379 176.283 176.117 -0.355 0.000 1.114 461 I CA -0.859 60.223 61.300 -0.364 0.000 1.038 461 I CB 2.385 39.824 38.000 -0.936 0.000 1.238 461 I HN 0.334 nan 8.210 nan 0.000 0.420 462 G N 3.509 111.908 108.800 -0.668 0.000 2.569 462 G HA2 0.652 4.596 3.960 -0.028 0.000 0.300 462 G HA3 0.652 4.596 3.960 -0.028 0.000 0.300 462 G C -1.500 172.952 174.900 -0.746 0.000 1.269 462 G CA -0.456 44.140 45.100 -0.840 0.000 0.959 462 G HN 0.530 nan 8.290 nan 0.000 0.478 463 Q N -0.273 119.403 119.800 -0.207 0.000 2.316 463 Q HA 0.478 4.801 4.340 -0.028 0.000 0.264 463 Q C -1.360 174.792 176.000 0.253 0.000 0.987 463 Q CA -0.789 55.050 55.803 0.060 0.000 0.852 463 Q CB 2.879 31.723 28.738 0.176 0.000 1.287 463 Q HN 0.375 nan 8.270 nan 0.000 0.448 464 L N 3.759 125.167 121.223 0.308 0.000 2.298 464 L HA 0.461 4.784 4.340 -0.028 0.000 0.284 464 L C -1.677 175.300 176.870 0.178 0.000 1.013 464 L CA -0.705 54.378 54.840 0.404 0.000 0.824 464 L CB 1.219 43.662 42.059 0.641 0.000 1.221 464 L HN 0.542 nan 8.230 nan 0.000 0.418 465 L N 6.325 127.599 121.223 0.085 0.000 2.282 465 L HA 0.652 4.975 4.340 -0.028 0.000 0.288 465 L C -1.036 175.785 176.870 -0.081 0.000 1.033 465 L CA -0.115 54.690 54.840 -0.058 0.000 0.807 465 L CB 1.633 43.649 42.059 -0.072 0.000 1.209 465 L HN 0.444 nan 8.230 nan 0.000 0.423 466 V N 5.295 125.109 119.914 -0.166 0.000 2.325 466 V HA 0.390 4.494 4.120 -0.028 0.000 0.280 466 V C -0.194 175.717 176.094 -0.305 0.000 1.016 466 V CA -0.944 61.260 62.300 -0.160 0.000 0.818 466 V CB 0.953 32.795 31.823 0.032 0.000 1.019 466 V HN 0.720 nan 8.190 nan 0.000 0.434 467 N N 6.726 125.275 118.700 -0.251 0.000 2.411 467 N HA 0.137 4.861 4.740 -0.028 0.000 0.261 467 N C -2.346 173.028 175.510 -0.227 0.000 1.248 467 N CA -0.919 51.982 53.050 -0.247 0.000 0.885 467 N CB 0.866 39.267 38.487 -0.144 0.000 1.062 467 N HN 0.373 nan 8.380 nan 0.000 0.471 468 P HA 0.064 nan 4.420 nan 0.000 0.271 468 P C -0.567 176.705 177.300 -0.046 0.000 1.216 468 P CA -0.059 62.954 63.100 -0.146 0.000 0.776 468 P CB 0.829 32.506 31.700 -0.038 0.000 0.881 469 V N 5.260 125.158 119.914 -0.027 0.000 2.488 469 V HA 0.252 4.355 4.120 -0.028 0.000 0.293 469 V C -1.598 174.509 176.094 0.021 0.000 1.027 469 V CA -1.379 60.922 62.300 0.002 0.000 0.862 469 V CB 1.550 33.370 31.823 -0.005 0.000 1.008 469 V HN 0.596 nan 8.190 nan 0.000 0.428 470 P HA 0.499 nan 4.420 nan 0.000 0.318 470 P C -0.487 176.847 177.300 0.056 0.000 1.309 470 P CA -0.452 62.673 63.100 0.041 0.000 0.736 470 P CB 1.361 33.087 31.700 0.043 0.000 1.440 471 R N 0.000 120.537 120.500 0.062 0.000 2.786 471 R HA 0.000 4.323 4.340 -0.028 0.000 0.208 471 R CA 0.000 56.152 56.100 0.086 0.000 0.921 471 R CB 0.000 30.339 30.300 0.065 0.000 0.687 471 R HN 0.000 nan 8.270 nan 0.000 0.535