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 3ej6_1_B DATA FIRST_RESID 36 DATA SEQUENCE EVDARQRLKE VEVDDNGQFM TTDFGGNIEE QFSLKAGGRG STLLEDFIFR DATA SEQUENCE QKLQHFDHER IPERVVHARG AGAHGIFTSY GDWSNITAAS FLGAKDKQTP DATA SEQUENCE VFVRFSTVAG SRGSADTARD VHGFATRFYT DEGNFDIVGN NIPVFFIQDA DATA SEQUENCE IRFPDLIHSV KPSPDNEVPQ AATAHDSAWD FFSSQPSALH TLFWAMSGNG DATA SEQUENCE IPRSYRHMDG FGIHTFRLVT EDGKSKLVKW HWKTKQGKAA LVWEEAQVLA DATA SEQUENCE GKNADFHRQD LWDAIESGNA PSWELAVQLI DEDKAQAYGF DLLDPTKFLP DATA SEQUENCE EEFAPLQVLG EMTLNRNPMN YFAETEQISF QPGHIVRGVD FTEDPLLQGR DATA SEQUENCE LYSYLDTQLN RHRGPNFEQL PINRPVSGVH NNHRDGQGQA WIHKNIHHYS DATA SEQUENCE PSYLNKGYPA QANQTVGRGF FTTPGRTASG VLNRELSATF DDHYTQPRLF DATA SEQUENCE FNSLTPVEQQ FVINAIRFEA SHVTNEQVKK NVLEQLNKIS NDVAKRVAVA DATA SEQUENCE LGLEAPQPDP TYYHNNVTRG VSIFNESLPT IATLRVGVLS TTKGGSLDKA DATA SEQUENCE KALKEQLEKD GLKVTVIAEY LASGVDQTYS AADATAFDAV VVAEGAERVF DATA SEQUENCE SGKGAMSPLF PAGRPSQILT DGYRWGKPVA AVGSAKKALQ SIGVEEKEAG DATA SEQUENCE VYAGAQDEVI KGVEEGLKVF KFLERFAVDG D 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 36 E HA 0.000 nan 4.350 nan 0.000 0.291 36 E C 0.000 176.609 176.600 0.014 0.000 1.382 36 E CA 0.000 56.411 56.400 0.018 0.000 0.976 36 E CB 0.000 29.707 29.700 0.012 0.000 0.812 37 V N -0.584 119.342 119.914 0.020 0.000 2.775 37 V HA 0.383 4.523 4.120 0.035 0.000 0.299 37 V C 0.345 176.445 176.094 0.010 0.000 1.062 37 V CA -0.573 61.736 62.300 0.015 0.000 1.063 37 V CB 1.186 33.023 31.823 0.023 0.000 0.994 37 V HN 0.004 nan 8.190 nan 0.000 0.483 38 D N 3.138 123.535 120.400 -0.005 0.000 2.383 38 D HA 0.467 5.127 4.640 0.035 0.000 0.252 38 D C 1.004 177.290 176.300 -0.024 0.000 1.166 38 D CA 0.616 54.604 54.000 -0.020 0.000 0.879 38 D CB 1.636 42.414 40.800 -0.037 0.000 1.164 38 D HN 0.883 nan 8.370 nan 0.000 0.462 39 A N 4.491 127.301 122.820 -0.017 0.000 2.121 39 A HA -0.070 4.271 4.320 0.035 0.000 0.218 39 A C 1.608 179.143 177.584 -0.080 0.000 1.154 39 A CA 0.869 52.906 52.037 0.000 0.000 0.679 39 A CB -0.007 19.035 19.000 0.070 0.000 0.795 39 A HN 0.641 nan 8.150 nan 0.000 0.458 40 R N -1.076 119.326 120.500 -0.164 0.000 2.694 40 R HA 0.151 4.512 4.340 0.035 0.000 0.334 40 R C 1.309 177.511 176.300 -0.164 0.000 1.143 40 R CA -0.056 55.883 56.100 -0.268 0.000 1.073 40 R CB 0.167 30.223 30.300 -0.406 0.000 1.366 40 R HN 0.437 nan 8.270 nan 0.000 0.577 41 Q N 1.905 121.639 119.800 -0.110 0.000 2.167 41 Q HA -0.137 4.223 4.340 0.035 0.000 0.202 41 Q C 1.999 177.953 176.000 -0.077 0.000 0.970 41 Q CA 1.565 57.322 55.803 -0.077 0.000 0.855 41 Q CB 0.144 28.852 28.738 -0.050 0.000 0.911 41 Q HN 0.365 nan 8.270 nan 0.000 0.438 42 R N -0.798 119.646 120.500 -0.094 0.000 2.148 42 R HA -0.069 4.291 4.340 0.035 0.000 0.227 42 R C 1.128 177.377 176.300 -0.085 0.000 1.103 42 R CA 1.119 57.167 56.100 -0.088 0.000 0.983 42 R CB -0.396 29.839 30.300 -0.108 0.000 0.874 42 R HN 0.199 nan 8.270 nan 0.000 0.451 43 L N 1.361 122.521 121.223 -0.105 0.000 2.599 43 L HA 0.083 4.444 4.340 0.035 0.000 0.230 43 L C 1.806 178.639 176.870 -0.061 0.000 1.141 43 L CA 1.115 55.902 54.840 -0.089 0.000 0.877 43 L CB 0.006 41.990 42.059 -0.125 0.000 1.009 43 L HN 0.056 nan 8.230 nan 0.000 0.447 44 K N 0.286 120.652 120.400 -0.057 0.000 2.097 44 K HA -0.165 4.176 4.320 0.035 0.000 0.205 44 K C 1.715 178.300 176.600 -0.024 0.000 1.050 44 K CA 1.322 57.585 56.287 -0.039 0.000 0.938 44 K CB -0.050 32.427 32.500 -0.038 0.000 0.718 44 K HN 0.603 nan 8.250 nan 0.000 0.442 45 E N 1.263 121.448 120.200 -0.024 0.000 2.274 45 E HA -0.091 4.280 4.350 0.035 0.000 0.194 45 E C 1.414 178.011 176.600 -0.004 0.000 0.996 45 E CA 1.026 57.418 56.400 -0.014 0.000 0.840 45 E CB -0.182 29.507 29.700 -0.018 0.000 0.772 45 E HN 0.123 nan 8.360 nan 0.000 0.491 46 V N -1.195 118.717 119.914 -0.003 0.000 3.342 46 V HA 0.246 4.386 4.120 0.035 0.000 0.322 46 V C 0.073 176.176 176.094 0.015 0.000 1.370 46 V CA -0.513 61.793 62.300 0.010 0.000 1.170 46 V CB -0.646 31.186 31.823 0.014 0.000 1.101 46 V HN 0.022 nan 8.190 nan 0.000 0.442 47 E N 0.595 120.800 120.200 0.009 0.000 2.249 47 E HA 0.606 4.977 4.350 0.035 0.000 0.280 47 E C -1.124 175.485 176.600 0.015 0.000 1.016 47 E CA -0.487 55.922 56.400 0.014 0.000 0.830 47 E CB 2.397 32.101 29.700 0.007 0.000 1.081 47 E HN 0.319 nan 8.360 nan 0.000 0.395 48 V N 2.990 122.916 119.914 0.020 0.000 2.409 48 V HA 0.173 4.313 4.120 0.035 0.000 0.291 48 V C -0.670 175.432 176.094 0.014 0.000 1.020 48 V CA -0.795 61.515 62.300 0.016 0.000 0.848 48 V CB 1.750 33.583 31.823 0.017 0.000 0.990 48 V HN 0.635 nan 8.190 nan 0.000 0.430 49 D N 2.636 123.041 120.400 0.008 0.000 2.303 49 D HA 0.378 5.039 4.640 0.035 0.000 0.236 49 D C 0.143 176.442 176.300 -0.002 0.000 1.068 49 D CA -0.321 53.682 54.000 0.005 0.000 0.830 49 D CB 1.677 42.479 40.800 0.003 0.000 1.109 49 D HN 0.481 nan 8.370 nan 0.000 0.496 50 D N 2.048 122.445 120.400 -0.006 0.000 2.363 50 D HA -0.002 4.659 4.640 0.035 0.000 0.214 50 D C 0.212 176.493 176.300 -0.032 0.000 1.093 50 D CA -0.092 53.898 54.000 -0.016 0.000 0.837 50 D CB -0.078 40.712 40.800 -0.015 0.000 0.948 50 D HN 0.454 nan 8.370 nan 0.000 0.507 51 N N 0.664 119.348 118.700 -0.028 0.000 2.497 51 N HA 0.142 4.903 4.740 0.035 0.000 0.268 51 N C 0.860 176.335 175.510 -0.058 0.000 1.171 51 N CA 0.640 53.667 53.050 -0.040 0.000 0.948 51 N CB 0.591 39.063 38.487 -0.025 0.000 1.069 51 N HN 0.116 nan 8.380 nan 0.000 0.460 52 G N 1.838 110.584 108.800 -0.090 0.000 2.221 52 G HA2 -0.208 3.772 3.960 0.035 0.000 0.265 52 G HA3 -0.208 3.772 3.960 0.035 0.000 0.265 52 G C -0.437 174.367 174.900 -0.160 0.000 1.041 52 G CA 0.008 45.034 45.100 -0.124 0.000 0.807 52 G HN 0.627 nan 8.290 nan 0.000 0.502 53 Q N -1.368 118.326 119.800 -0.177 0.000 2.433 53 Q HA 0.690 5.050 4.340 0.035 0.000 0.279 53 Q C -0.249 175.615 176.000 -0.227 0.000 1.105 53 Q CA -0.810 54.906 55.803 -0.145 0.000 0.815 53 Q CB 1.500 30.214 28.738 -0.040 0.000 1.403 53 Q HN 0.178 nan 8.270 nan 0.000 0.435 54 F N 0.698 120.644 119.950 -0.008 0.000 2.371 54 F HA 0.323 4.870 4.527 0.034 0.000 0.329 54 F C 0.918 176.707 175.800 -0.018 0.000 1.107 54 F CA -0.814 57.181 58.000 -0.009 0.000 1.137 54 F CB 0.822 39.818 39.000 -0.006 0.000 1.214 54 F HN 0.405 nan 8.300 nan 0.000 0.536 55 M N 2.748 122.463 119.600 0.192 0.000 2.239 55 M HA 0.207 4.708 4.480 0.035 0.000 0.348 55 M C 0.021 176.354 176.300 0.054 0.000 1.239 55 M CA 0.394 55.743 55.300 0.081 0.000 1.114 55 M CB 0.271 32.906 32.600 0.058 0.000 1.641 55 M HN 0.723 nan 8.290 nan 0.000 0.453 56 T N 0.720 115.272 114.554 -0.003 0.000 2.864 56 T HA 0.818 5.189 4.350 0.035 0.000 0.289 56 T C 0.044 174.674 174.700 -0.118 0.000 1.082 56 T CA -0.408 61.659 62.100 -0.055 0.000 1.009 56 T CB 1.052 69.888 68.868 -0.055 0.000 1.234 56 T HN 0.772 nan 8.240 nan 0.000 0.526 57 T N -1.255 113.159 114.554 -0.233 0.000 2.810 57 T HA 0.351 4.722 4.350 0.035 0.000 0.277 57 T C 0.329 174.860 174.700 -0.280 0.000 0.973 57 T CA -0.449 61.450 62.100 -0.335 0.000 0.949 57 T CB 0.193 68.593 68.868 -0.780 0.000 1.075 57 T HN 0.505 nan 8.240 nan 0.000 0.537 58 D N -0.259 120.037 120.400 -0.173 0.000 2.348 58 D HA 0.068 4.728 4.640 0.035 0.000 0.216 58 D C 0.978 177.315 176.300 0.061 0.000 0.970 58 D CA 0.733 54.721 54.000 -0.019 0.000 0.889 58 D CB -0.244 40.610 40.800 0.089 0.000 0.912 58 D HN 0.702 nan 8.370 nan 0.000 0.524 59 F N -1.386 118.590 119.950 0.044 0.000 2.668 59 F HA 0.563 5.110 4.527 0.034 0.000 0.301 59 F C 0.892 176.710 175.800 0.030 0.000 1.106 59 F CA -0.369 57.649 58.000 0.031 0.000 1.289 59 F CB 0.050 39.063 39.000 0.022 0.000 1.006 59 F HN -0.085 nan 8.300 nan 0.000 0.535 60 G N -0.045 108.626 108.800 -0.214 0.000 2.756 60 G HA2 0.386 4.367 3.960 0.035 0.000 0.678 60 G HA3 0.386 4.367 3.960 0.035 0.000 0.678 60 G C -0.134 174.648 174.900 -0.197 0.000 1.349 60 G CA -0.223 44.799 45.100 -0.130 0.000 0.847 60 G HN 1.986 nan 8.290 nan 0.000 0.548 61 G N -0.388 108.365 108.800 -0.078 0.000 3.322 61 G HA2 0.240 4.220 3.960 0.035 0.000 0.686 61 G HA3 0.240 4.220 3.960 0.035 0.000 0.686 61 G C -0.318 174.554 174.900 -0.046 0.000 1.015 61 G CA 0.353 45.428 45.100 -0.042 0.000 0.826 61 G HN 1.625 nan 8.290 nan 0.000 0.538 62 N N 0.241 118.927 118.700 -0.023 0.000 2.479 62 N HA 0.672 5.433 4.740 0.035 0.000 0.257 62 N C 1.064 176.569 175.510 -0.009 0.000 1.232 62 N CA 0.770 53.809 53.050 -0.019 0.000 0.920 62 N CB 0.906 39.344 38.487 -0.081 0.000 1.105 62 N HN 1.109 nan 8.380 nan 0.000 0.444 63 I N -2.906 117.668 120.570 0.006 0.000 3.334 63 I HA 0.609 4.800 4.170 0.035 0.000 0.316 63 I C -1.104 175.028 176.117 0.025 0.000 1.251 63 I CA -1.140 60.166 61.300 0.009 0.000 0.929 63 I CB 2.219 40.212 38.000 -0.012 0.000 1.317 63 I HN 0.419 nan 8.210 nan 0.000 0.479 64 E N 0.552 120.764 120.200 0.020 0.000 2.317 64 E HA 0.616 4.986 4.350 0.035 0.000 0.270 64 E C -1.684 174.934 176.600 0.029 0.000 0.885 64 E CA -0.723 55.705 56.400 0.047 0.000 0.760 64 E CB 2.269 32.022 29.700 0.089 0.000 1.227 64 E HN 0.661 nan 8.360 nan 0.000 0.434 65 E N 1.821 122.036 120.200 0.024 0.000 4.129 65 E HA 0.161 4.532 4.350 0.035 0.000 0.222 65 E C -0.405 176.178 176.600 -0.030 0.000 1.179 65 E CA -0.533 55.866 56.400 -0.001 0.000 1.334 65 E CB 0.545 30.227 29.700 -0.031 0.000 1.202 65 E HN 0.402 nan 8.360 nan 0.000 0.428 66 Q N 0.261 120.040 119.800 -0.034 0.000 2.127 66 Q HA 0.350 4.711 4.340 0.035 0.000 0.222 66 Q C -0.841 174.806 176.000 -0.589 0.000 0.794 66 Q CA 0.081 55.723 55.803 -0.269 0.000 1.010 66 Q CB 0.853 29.409 28.738 -0.303 0.000 1.170 66 Q HN 0.330 nan 8.270 nan 0.000 0.479 67 F N 0.004 119.951 119.950 -0.005 0.000 2.588 67 F HA 0.320 4.868 4.527 0.035 0.000 0.318 67 F C 0.128 175.915 175.800 -0.021 0.000 1.155 67 F CA -0.703 57.288 58.000 -0.015 0.000 0.967 67 F CB 1.847 40.835 39.000 -0.020 0.000 1.236 67 F HN -0.344 nan 8.300 nan 0.000 0.455 68 S N 2.663 118.431 115.700 0.113 0.000 2.580 68 S HA 0.342 4.832 4.470 0.035 0.000 0.274 68 S C -0.572 174.034 174.600 0.010 0.000 1.329 68 S CA -0.500 57.701 58.200 0.001 0.000 1.036 68 S CB 0.974 64.080 63.200 -0.156 0.000 0.919 68 S HN 0.492 nan 8.310 nan 0.000 0.515 69 L N 3.948 125.156 121.223 -0.025 0.000 2.369 69 L HA 0.295 4.655 4.340 0.035 0.000 0.279 69 L C -0.326 176.522 176.870 -0.036 0.000 1.108 69 L CA 0.798 55.626 54.840 -0.019 0.000 0.852 69 L CB -0.369 41.683 42.059 -0.012 0.000 1.169 69 L HN 0.508 nan 8.230 nan 0.000 0.452 70 K N 4.297 124.683 120.400 -0.024 0.000 2.318 70 K HA 0.696 5.037 4.320 0.035 0.000 0.249 70 K C -0.553 176.035 176.600 -0.020 0.000 0.942 70 K CA -0.706 55.563 56.287 -0.028 0.000 0.808 70 K CB 1.826 34.313 32.500 -0.022 0.000 1.189 70 K HN 0.617 nan 8.250 nan 0.000 0.428 71 A N 2.191 124.999 122.820 -0.019 0.000 3.056 71 A HA 0.562 4.903 4.320 0.035 0.000 0.274 71 A C 0.388 177.964 177.584 -0.013 0.000 1.661 71 A CA 0.440 52.470 52.037 -0.013 0.000 1.363 71 A CB -1.095 17.898 19.000 -0.010 0.000 1.139 71 A HN 0.859 nan 8.150 nan 0.000 0.598 72 G N -0.314 108.477 108.800 -0.014 0.000 2.479 72 G HA2 0.279 4.259 3.960 0.035 0.000 0.686 72 G HA3 0.279 4.259 3.960 0.035 0.000 0.686 72 G C 0.756 175.647 174.900 -0.015 0.000 1.295 72 G CA -0.271 44.821 45.100 -0.014 0.000 0.922 72 G HN 1.225 nan 8.290 nan 0.000 0.582 73 G N -0.553 108.238 108.800 -0.014 0.000 2.418 73 G HA2 0.017 3.997 3.960 0.035 0.000 0.217 73 G HA3 0.017 3.997 3.960 0.035 0.000 0.217 73 G C 1.130 176.026 174.900 -0.007 0.000 1.158 73 G CA 1.381 46.473 45.100 -0.013 0.000 0.771 73 G HN 0.773 nan 8.290 nan 0.000 0.545 74 R N 0.248 120.743 120.500 -0.007 0.000 2.816 74 R HA 0.348 4.708 4.340 0.035 0.000 0.382 74 R C 0.579 176.873 176.300 -0.010 0.000 1.140 74 R CA -0.140 55.956 56.100 -0.006 0.000 1.050 74 R CB 1.078 31.375 30.300 -0.005 0.000 1.396 74 R HN 0.260 nan 8.270 nan 0.000 0.583 75 G N -0.181 108.611 108.800 -0.013 0.000 2.511 75 G HA2 0.311 4.292 3.960 0.035 0.000 0.316 75 G HA3 0.311 4.292 3.960 0.035 0.000 0.316 75 G C -0.258 174.626 174.900 -0.026 0.000 1.210 75 G CA -0.398 44.691 45.100 -0.017 0.000 0.969 75 G HN 0.109 nan 8.290 nan 0.000 0.492 76 S N -0.820 114.863 115.700 -0.028 0.000 2.593 76 S HA 0.357 4.848 4.470 0.035 0.000 0.269 76 S C 0.553 175.120 174.600 -0.055 0.000 1.334 76 S CA -0.260 57.917 58.200 -0.040 0.000 1.015 76 S CB 0.976 64.158 63.200 -0.031 0.000 0.912 76 S HN 0.595 nan 8.310 nan 0.000 0.541 77 T N 3.055 117.556 114.554 -0.088 0.000 2.884 77 T HA 0.283 4.653 4.350 0.035 0.000 0.298 77 T C 0.214 174.858 174.700 -0.092 0.000 0.998 77 T CA -0.276 61.746 62.100 -0.130 0.000 1.124 77 T CB -0.013 68.701 68.868 -0.255 0.000 0.931 77 T HN 0.304 nan 8.240 nan 0.000 0.531 78 L N 3.471 124.653 121.223 -0.068 0.000 2.350 78 L HA 0.272 4.632 4.340 0.035 0.000 0.275 78 L C 1.461 178.331 176.870 0.000 0.000 1.099 78 L CA -0.692 54.135 54.840 -0.021 0.000 0.808 78 L CB 0.636 42.696 42.059 0.001 0.000 1.149 78 L HN 0.526 nan 8.230 nan 0.000 0.442 79 L N 2.235 123.474 121.223 0.027 0.000 2.201 79 L HA -0.156 4.205 4.340 0.035 0.000 0.212 79 L C 2.250 179.178 176.870 0.096 0.000 1.105 79 L CA 1.554 56.431 54.840 0.061 0.000 0.775 79 L CB -0.516 41.576 42.059 0.054 0.000 0.913 79 L HN 0.787 nan 8.230 nan 0.000 0.440 80 E N -1.523 118.731 120.200 0.090 0.000 2.516 80 E HA -0.164 4.207 4.350 0.035 0.000 0.199 80 E C 0.224 176.937 176.600 0.189 0.000 1.069 80 E CA 0.220 56.697 56.400 0.129 0.000 0.876 80 E CB -0.523 29.241 29.700 0.106 0.000 0.843 80 E HN 0.347 nan 8.360 nan 0.000 0.530 81 D N 1.209 121.693 120.400 0.139 0.000 2.441 81 D HA -0.061 4.600 4.640 0.035 0.000 0.243 81 D C 0.429 176.825 176.300 0.159 0.000 1.257 81 D CA -0.436 53.627 54.000 0.105 0.000 1.027 81 D CB -0.129 40.701 40.800 0.051 0.000 1.084 81 D HN 0.332 nan 8.370 nan 0.000 0.514 82 F N 2.253 122.292 119.950 0.149 0.000 2.325 82 F HA 0.054 4.602 4.527 0.034 0.000 0.299 82 F C 1.632 177.543 175.800 0.186 0.000 1.090 82 F CA 0.273 58.372 58.000 0.165 0.000 1.392 82 F CB -0.518 38.580 39.000 0.163 0.000 1.053 82 F HN 0.199 nan 8.300 nan 0.000 0.521 83 I N -0.291 119.872 120.570 -0.679 0.000 2.315 83 I HA -0.199 3.992 4.170 0.035 0.000 0.248 83 I C 2.436 178.510 176.117 -0.072 0.000 1.117 83 I CA 1.378 62.421 61.300 -0.428 0.000 1.404 83 I CB -0.568 37.129 38.000 -0.505 0.000 1.071 83 I HN 0.264 nan 8.210 nan 0.000 0.419 84 F N 2.010 121.887 119.950 -0.122 0.000 2.084 84 F HA -0.156 4.392 4.527 0.035 0.000 0.296 84 F C 2.687 178.497 175.800 0.017 0.000 1.111 84 F CA 1.604 59.578 58.000 -0.043 0.000 1.224 84 F CB -0.274 38.708 39.000 -0.030 0.000 0.991 84 F HN -0.202 nan 8.300 nan 0.000 0.471 85 R N -0.020 120.490 120.500 0.018 0.000 2.092 85 R HA -0.169 4.192 4.340 0.035 0.000 0.231 85 R C 2.252 178.536 176.300 -0.027 0.000 1.119 85 R CA 1.565 57.636 56.100 -0.049 0.000 0.970 85 R CB -0.494 29.902 30.300 0.160 0.000 0.864 85 R HN 0.504 nan 8.270 nan 0.000 0.440 86 Q N 0.963 120.808 119.800 0.074 0.000 2.167 86 Q HA -0.158 4.202 4.340 0.035 0.000 0.202 86 Q C 1.791 177.826 176.000 0.059 0.000 0.970 86 Q CA 1.624 57.502 55.803 0.126 0.000 0.855 86 Q CB -0.145 28.754 28.738 0.267 0.000 0.911 86 Q HN 0.147 nan 8.270 nan 0.000 0.438 87 K N 0.018 120.399 120.400 -0.031 0.000 2.007 87 K HA -0.051 4.289 4.320 0.035 0.000 0.206 87 K C 1.938 178.507 176.600 -0.053 0.000 1.047 87 K CA 1.039 57.291 56.287 -0.059 0.000 0.937 87 K CB -0.046 32.385 32.500 -0.115 0.000 0.718 87 K HN 0.242 nan 8.250 nan 0.000 0.438 88 L N 1.504 122.597 121.223 -0.218 0.000 2.093 88 L HA -0.149 4.212 4.340 0.035 0.000 0.208 88 L C 2.634 179.535 176.870 0.052 0.000 1.085 88 L CA 1.596 56.331 54.840 -0.175 0.000 0.755 88 L CB -1.111 40.615 42.059 -0.554 0.000 0.904 88 L HN 0.478 nan 8.230 nan 0.000 0.435 89 Q N -0.824 118.998 119.800 0.037 0.000 2.061 89 Q HA -0.273 4.088 4.340 0.035 0.000 0.204 89 Q C 2.352 178.453 176.000 0.169 0.000 0.984 89 Q CA 1.726 57.600 55.803 0.118 0.000 0.846 89 Q CB -0.162 28.608 28.738 0.053 0.000 0.902 89 Q HN 0.467 nan 8.270 nan 0.000 0.421 90 H N -0.621 118.491 119.070 0.069 0.000 2.387 90 H HA -0.156 4.421 4.556 0.034 0.000 0.299 90 H C 1.856 177.235 175.328 0.085 0.000 1.090 90 H CA 1.677 57.763 56.048 0.063 0.000 1.332 90 H CB -0.224 29.563 29.762 0.041 0.000 1.386 90 H HN 0.406 nan 8.280 nan 0.000 0.516 91 F N 1.936 121.950 119.950 0.107 0.000 2.134 91 F HA -0.166 4.382 4.527 0.035 0.000 0.299 91 F C 1.912 177.709 175.800 -0.006 0.000 1.097 91 F CA 1.565 59.585 58.000 0.032 0.000 1.264 91 F CB -0.214 38.779 39.000 -0.012 0.000 1.001 91 F HN 0.044 nan 8.300 nan 0.000 0.479 92 D N -1.103 119.293 120.400 -0.006 0.000 2.218 92 D HA -0.156 4.505 4.640 0.035 0.000 0.204 92 D C 1.297 177.420 176.300 -0.296 0.000 0.976 92 D CA 1.372 55.282 54.000 -0.150 0.000 0.853 92 D CB -0.511 40.310 40.800 0.034 0.000 0.939 92 D HN 0.519 nan 8.370 nan 0.000 0.481 93 H N 0.030 118.974 119.070 -0.210 0.000 2.488 93 H HA 0.208 4.785 4.556 0.034 0.000 0.294 93 H C 0.927 176.096 175.328 -0.266 0.000 1.088 93 H CA -0.071 55.853 56.048 -0.207 0.000 1.086 93 H CB 0.643 30.300 29.762 -0.175 0.000 1.569 93 H HN 0.260 nan 8.280 nan 0.000 0.548 94 E N 0.744 120.796 120.200 -0.247 0.000 2.107 94 E HA -0.036 4.335 4.350 0.035 0.000 0.191 94 E C 0.568 177.020 176.600 -0.248 0.000 0.982 94 E CA 0.448 56.672 56.400 -0.293 0.000 0.809 94 E CB 0.434 29.936 29.700 -0.330 0.000 0.756 94 E HN 0.197 nan 8.360 nan 0.000 0.459 95 R N 1.488 121.876 120.500 -0.186 0.000 2.438 95 R HA 0.270 4.630 4.340 0.035 0.000 0.287 95 R C 0.479 176.778 176.300 -0.001 0.000 1.077 95 R CA -0.030 56.023 56.100 -0.079 0.000 1.034 95 R CB 0.380 30.619 30.300 -0.102 0.000 0.993 95 R HN 0.211 nan 8.270 nan 0.000 0.459 96 I N -0.666 119.961 120.570 0.096 0.000 2.910 96 I HA 0.584 4.775 4.170 0.035 0.000 0.310 96 I C -2.232 173.889 176.117 0.008 0.000 1.043 96 I CA -3.021 58.314 61.300 0.059 0.000 1.053 96 I CB 1.812 39.870 38.000 0.096 0.000 1.242 96 I HN 0.242 nan 8.210 nan 0.000 0.452 97 P HA 0.115 nan 4.420 nan 0.000 0.268 97 P C -0.828 176.438 177.300 -0.057 0.000 1.204 97 P CA -0.096 62.974 63.100 -0.050 0.000 0.768 97 P CB 0.454 32.113 31.700 -0.069 0.000 0.842 98 E N 2.758 122.940 120.200 -0.030 0.000 2.391 98 E HA 0.157 4.528 4.350 0.035 0.000 0.255 98 E C -0.471 176.106 176.600 -0.038 0.000 1.187 98 E CA -0.782 55.607 56.400 -0.018 0.000 0.941 98 E CB 0.574 30.280 29.700 0.010 0.000 1.010 98 E HN 0.267 nan 8.360 nan 0.000 0.458 99 R N 0.665 121.152 120.500 -0.022 0.000 2.570 99 R HA -0.010 4.351 4.340 0.035 0.000 0.277 99 R C 1.066 177.366 176.300 -0.001 0.000 1.039 99 R CA 0.014 56.100 56.100 -0.023 0.000 1.065 99 R CB 0.847 31.156 30.300 0.015 0.000 0.964 99 R HN 0.549 nan 8.270 nan 0.000 0.428 100 V N 3.958 123.864 119.914 -0.013 0.000 2.392 100 V HA -0.134 4.006 4.120 0.035 0.000 0.249 100 V C 0.587 176.716 176.094 0.057 0.000 1.059 100 V CA 1.891 64.200 62.300 0.015 0.000 1.051 100 V CB 0.170 32.004 31.823 0.017 0.000 0.658 100 V HN 0.549 nan 8.190 nan 0.000 0.455 101 V N -4.358 115.619 119.914 0.105 0.000 3.130 101 V HA 0.577 4.718 4.120 0.035 0.000 0.310 101 V C 0.077 176.314 176.094 0.237 0.000 1.158 101 V CA -0.693 61.702 62.300 0.159 0.000 1.029 101 V CB 1.460 33.468 31.823 0.308 0.000 1.057 101 V HN 0.483 nan 8.190 nan 0.000 0.436 102 H N 0.431 119.546 119.070 0.075 0.000 2.756 102 H HA -0.211 4.367 4.556 0.037 0.000 0.315 102 H C 1.387 176.745 175.328 0.050 0.000 1.210 102 H CA 0.725 56.811 56.048 0.062 0.000 1.150 102 H CB -1.077 28.715 29.762 0.051 0.000 1.463 102 H HN 1.186 nan 8.280 nan 0.000 0.427 103 A N 0.825 123.709 122.820 0.108 0.000 1.897 103 A HA -0.067 4.274 4.320 0.035 0.000 0.215 103 A C 1.687 179.340 177.584 0.114 0.000 1.181 103 A CA 1.090 53.181 52.037 0.089 0.000 0.620 103 A CB 0.051 19.083 19.000 0.053 0.000 0.821 103 A HN 0.259 nan 8.150 nan 0.000 0.443 104 R N 0.402 120.970 120.500 0.113 0.000 2.216 104 R HA 0.504 4.865 4.340 0.035 0.000 0.332 104 R C -0.098 176.320 176.300 0.196 0.000 1.056 104 R CA 0.742 56.929 56.100 0.146 0.000 0.901 104 R CB 0.014 30.386 30.300 0.119 0.000 1.039 104 R HN 0.468 nan 8.270 nan 0.000 0.456 105 G N 0.984 109.928 108.800 0.240 0.000 2.523 105 G HA2 0.652 4.632 3.960 0.035 0.000 0.291 105 G HA3 0.652 4.632 3.960 0.035 0.000 0.291 105 G C -1.935 173.147 174.900 0.304 0.000 1.450 105 G CA -0.142 45.103 45.100 0.242 0.000 0.790 105 G HN 0.755 nan 8.290 nan 0.000 0.496 106 A N -1.312 121.647 122.820 0.231 0.000 2.594 106 A HA 1.059 5.400 4.320 0.035 0.000 0.291 106 A C 0.011 177.648 177.584 0.089 0.000 1.105 106 A CA 0.126 52.338 52.037 0.292 0.000 0.694 106 A CB 1.777 21.062 19.000 0.474 0.000 1.291 106 A HN 2.351 nan 8.150 nan 0.000 0.410 107 G N -1.419 107.424 108.800 0.072 0.000 2.721 107 G HA2 0.963 4.943 3.960 0.035 0.000 0.296 107 G HA3 0.963 4.943 3.960 0.035 0.000 0.296 107 G C -0.845 173.888 174.900 -0.279 0.000 1.383 107 G CA 0.186 45.142 45.100 -0.241 0.000 0.788 107 G HN 2.218 nan 8.290 nan 0.000 0.500 108 A N -0.893 121.456 122.820 -0.785 0.000 2.601 108 A HA 0.761 5.102 4.320 0.035 0.000 0.291 108 A C -1.053 176.111 177.584 -0.699 0.000 1.075 108 A CA -0.747 51.008 52.037 -0.469 0.000 0.671 108 A CB 0.687 19.611 19.000 -0.126 0.000 1.277 108 A HN 0.775 nan 8.150 nan 0.000 0.417 109 H N -0.490 118.487 119.070 -0.156 0.000 2.509 109 H HA 0.694 5.270 4.556 0.034 0.000 0.359 109 H C 0.617 175.922 175.328 -0.039 0.000 1.253 109 H CA 0.593 56.638 56.048 -0.006 0.000 1.373 109 H CB 1.721 31.548 29.762 0.109 0.000 1.555 109 H HN 1.170 nan 8.280 nan 0.000 0.586 110 G N -0.141 108.744 108.800 0.142 0.000 2.490 110 G HA2 0.425 4.406 3.960 0.035 0.000 0.308 110 G HA3 0.425 4.406 3.960 0.035 0.000 0.308 110 G C -1.888 173.098 174.900 0.143 0.000 1.286 110 G CA -0.648 44.515 45.100 0.106 0.000 0.825 110 G HN 0.376 nan 8.290 nan 0.000 0.479 111 I N 0.050 120.715 120.570 0.159 0.000 2.582 111 I HA 0.535 4.725 4.170 0.035 0.000 0.292 111 I C -1.165 175.126 176.117 0.289 0.000 1.066 111 I CA -0.539 60.885 61.300 0.206 0.000 1.053 111 I CB 2.183 40.270 38.000 0.144 0.000 1.241 111 I HN 0.481 nan 8.210 nan 0.000 0.421 112 F N 4.810 124.900 119.950 0.233 0.000 2.421 112 F HA 0.732 5.282 4.527 0.038 0.000 0.337 112 F C -0.263 175.680 175.800 0.238 0.000 1.105 112 F CA -0.031 58.155 58.000 0.309 0.000 1.049 112 F CB 1.407 40.736 39.000 0.549 0.000 1.139 112 F HN 0.412 nan 8.300 nan 0.000 0.479 113 T N 4.348 118.473 114.554 -0.716 0.000 2.840 113 T HA 0.234 4.604 4.350 0.035 0.000 0.287 113 T C -0.649 173.528 174.700 -0.871 0.000 0.991 113 T CA -0.611 61.167 62.100 -0.537 0.000 0.964 113 T CB 1.228 69.940 68.868 -0.261 0.000 0.954 113 T HN 0.629 nan 8.240 nan 0.000 0.438 114 S N 1.922 117.360 115.700 -0.436 0.000 2.548 114 S HA 0.217 4.707 4.470 0.035 0.000 0.277 114 S C 0.490 175.080 174.600 -0.017 0.000 1.315 114 S CA -0.386 57.720 58.200 -0.156 0.000 1.050 114 S CB 0.159 63.448 63.200 0.149 0.000 0.918 114 S HN 0.602 nan 8.310 nan 0.000 0.497 115 Y N 3.509 123.915 120.300 0.178 0.000 2.544 115 Y HA 0.302 4.873 4.550 0.036 0.000 0.286 115 Y C 1.498 177.412 175.900 0.024 0.000 1.141 115 Y CA 0.378 58.556 58.100 0.130 0.000 1.299 115 Y CB -0.252 38.331 38.460 0.206 0.000 1.030 115 Y HN 0.776 nan 8.280 nan 0.000 0.543 116 G N -1.428 107.427 108.800 0.091 0.000 2.623 116 G HA2 0.213 4.193 3.960 0.035 0.000 0.290 116 G HA3 0.213 4.193 3.960 0.035 0.000 0.290 116 G C -1.969 172.580 174.900 -0.584 0.000 1.437 116 G CA -0.864 43.990 45.100 -0.409 0.000 0.798 116 G HN -0.180 nan 8.290 nan 0.000 0.488 117 D N -0.408 119.677 120.400 -0.524 0.000 2.343 117 D HA 0.200 4.861 4.640 0.035 0.000 0.255 117 D C -0.430 175.545 176.300 -0.541 0.000 1.187 117 D CA -0.266 53.512 54.000 -0.370 0.000 0.875 117 D CB 0.661 41.333 40.800 -0.213 0.000 1.136 117 D HN 0.346 nan 8.370 nan 0.000 0.469 118 W N 2.801 124.067 121.300 -0.056 0.000 2.390 118 W HA 0.139 4.819 4.660 0.033 0.000 0.397 118 W C 1.842 178.317 176.519 -0.072 0.000 0.839 118 W CA -0.438 56.868 57.345 -0.066 0.000 2.576 118 W CB 0.018 29.422 29.460 -0.094 0.000 1.346 118 W HN 0.398 nan 8.180 nan 0.000 0.708 119 S N -0.480 115.261 115.700 0.068 0.000 2.402 119 S HA -0.196 4.295 4.470 0.035 0.000 0.229 119 S C 1.543 176.169 174.600 0.043 0.000 1.021 119 S CA 1.199 59.422 58.200 0.039 0.000 0.974 119 S CB -0.224 62.978 63.200 0.003 0.000 0.800 119 S HN 0.245 nan 8.310 nan 0.000 0.484 120 N N 2.045 120.774 118.700 0.047 0.000 2.512 120 N HA 0.114 4.874 4.740 0.035 0.000 0.183 120 N C 1.555 177.098 175.510 0.056 0.000 1.073 120 N CA 1.208 54.283 53.050 0.042 0.000 0.911 120 N CB -0.346 38.160 38.487 0.031 0.000 0.964 120 N HN 0.860 nan 8.380 nan 0.000 0.447 121 I N -5.532 115.087 120.570 0.082 0.000 4.244 121 I HA 0.289 4.479 4.170 0.035 0.000 0.318 121 I C 0.346 176.465 176.117 0.002 0.000 1.282 121 I CA 0.128 61.456 61.300 0.046 0.000 1.276 121 I CB 0.900 38.937 38.000 0.061 0.000 1.183 121 I HN -0.209 nan 8.210 nan 0.000 0.431 122 T N 0.204 114.765 114.554 0.012 0.000 2.889 122 T HA 0.661 5.032 4.350 0.035 0.000 0.315 122 T C -0.164 174.523 174.700 -0.022 0.000 1.291 122 T CA 0.054 62.133 62.100 -0.035 0.000 1.028 122 T CB 1.919 70.733 68.868 -0.090 0.000 1.235 122 T HN 0.154 nan 8.240 nan 0.000 0.491 123 A N 2.059 124.858 122.820 -0.036 0.000 2.307 123 A HA 0.700 5.041 4.320 0.035 0.000 0.218 123 A C 1.183 178.746 177.584 -0.035 0.000 1.228 123 A CA 0.407 52.439 52.037 -0.008 0.000 0.857 123 A CB -0.585 18.440 19.000 0.043 0.000 0.897 123 A HN 1.207 nan 8.150 nan 0.000 0.495 124 A N 0.035 122.798 122.820 -0.095 0.000 2.524 124 A HA 0.369 4.710 4.320 0.035 0.000 0.250 124 A C 1.431 178.964 177.584 -0.084 0.000 1.078 124 A CA 0.579 52.547 52.037 -0.114 0.000 0.761 124 A CB 0.140 18.989 19.000 -0.253 0.000 1.012 124 A HN 0.419 nan 8.150 nan 0.000 0.500 125 S N 1.877 117.601 115.700 0.039 0.000 2.383 125 S HA -0.144 4.347 4.470 0.035 0.000 0.227 125 S C 1.545 176.208 174.600 0.105 0.000 1.026 125 S CA 1.862 60.105 58.200 0.073 0.000 0.981 125 S CB -0.576 62.688 63.200 0.108 0.000 0.818 125 S HN 1.012 nan 8.310 nan 0.000 0.472 126 F N 0.690 120.643 119.950 0.004 0.000 2.502 126 F HA 0.296 4.843 4.527 0.033 0.000 0.298 126 F C 0.991 176.877 175.800 0.143 0.000 1.111 126 F CA 0.520 58.559 58.000 0.065 0.000 1.445 126 F CB -0.240 38.757 39.000 -0.006 0.000 1.081 126 F HN 0.079 nan 8.300 nan 0.000 0.558 127 L N 0.888 121.742 121.223 -0.615 0.000 2.928 127 L HA 0.414 4.774 4.340 0.035 0.000 0.246 127 L C 1.940 178.820 176.870 0.017 0.000 1.239 127 L CA 0.164 54.841 54.840 -0.271 0.000 1.035 127 L CB 0.141 41.900 42.059 -0.500 0.000 1.360 127 L HN 0.343 nan 8.230 nan 0.000 0.529 128 G N 0.016 108.815 108.800 -0.002 0.000 2.603 128 G HA2 0.404 4.385 3.960 0.035 0.000 0.214 128 G HA3 0.404 4.385 3.960 0.035 0.000 0.214 128 G C 0.506 175.408 174.900 0.004 0.000 1.140 128 G CA 0.804 45.911 45.100 0.013 0.000 0.800 128 G HN 0.404 nan 8.290 nan 0.000 0.533 129 A N -0.826 122.003 122.820 0.015 0.000 2.609 129 A HA 0.681 5.021 4.320 0.035 0.000 0.291 129 A C -0.736 176.844 177.584 -0.007 0.000 1.096 129 A CA -0.724 51.305 52.037 -0.014 0.000 0.684 129 A CB 1.102 20.104 19.000 0.003 0.000 1.282 129 A HN 0.088 nan 8.150 nan 0.000 0.412 130 K N 0.547 120.927 120.400 -0.033 0.000 2.326 130 K HA 0.313 4.653 4.320 0.035 0.000 0.275 130 K C -0.663 175.948 176.600 0.018 0.000 1.018 130 K CA 0.416 56.695 56.287 -0.013 0.000 0.962 130 K CB 0.172 32.651 32.500 -0.035 0.000 0.953 130 K HN 0.600 nan 8.250 nan 0.000 0.475 131 D N 1.166 121.586 120.400 0.033 0.000 2.983 131 D HA -0.191 4.470 4.640 0.035 0.000 0.225 131 D C -0.624 175.697 176.300 0.034 0.000 1.174 131 D CA 1.053 55.071 54.000 0.030 0.000 0.831 131 D CB -0.698 40.121 40.800 0.032 0.000 1.104 131 D HN 0.561 nan 8.370 nan 0.000 0.421 132 K N 0.988 121.416 120.400 0.048 0.000 2.312 132 K HA 0.191 4.531 4.320 0.035 0.000 0.287 132 K C 0.146 176.817 176.600 0.117 0.000 1.062 132 K CA -0.041 56.297 56.287 0.086 0.000 0.934 132 K CB 0.623 33.188 32.500 0.108 0.000 1.027 132 K HN 0.029 nan 8.250 nan 0.000 0.478 133 Q N 2.195 122.071 119.800 0.128 0.000 2.241 133 Q HA 0.270 4.631 4.340 0.035 0.000 0.254 133 Q C -0.994 175.147 176.000 0.235 0.000 0.917 133 Q CA -0.509 55.390 55.803 0.160 0.000 0.919 133 Q CB 2.160 30.965 28.738 0.112 0.000 1.237 133 Q HN 0.519 nan 8.270 nan 0.000 0.434 134 T N 3.550 118.307 114.554 0.337 0.000 2.928 134 T HA 0.392 4.763 4.350 0.035 0.000 0.296 134 T C -2.579 172.336 174.700 0.358 0.000 1.000 134 T CA -1.543 60.777 62.100 0.368 0.000 0.989 134 T CB 1.584 70.743 68.868 0.486 0.000 1.005 134 T HN 0.301 nan 8.240 nan 0.000 0.442 135 P HA 0.338 nan 4.420 nan 0.000 0.269 135 P C -0.815 176.710 177.300 0.374 0.000 1.215 135 P CA -0.432 62.826 63.100 0.263 0.000 0.780 135 P CB 0.519 32.307 31.700 0.147 0.000 0.898 136 V N -0.890 119.205 119.914 0.303 0.000 3.049 136 V HA 0.702 4.843 4.120 0.035 0.000 0.309 136 V C -1.431 174.793 176.094 0.217 0.000 1.148 136 V CA -0.963 61.452 62.300 0.191 0.000 0.990 136 V CB 2.162 33.927 31.823 -0.097 0.000 1.039 136 V HN 0.372 nan 8.190 nan 0.000 0.430 137 F N 2.498 122.441 119.950 -0.010 0.000 2.529 137 F HA 0.873 5.421 4.527 0.035 0.000 0.320 137 F C -0.814 174.842 175.800 -0.241 0.000 1.118 137 F CA -0.569 57.327 58.000 -0.173 0.000 0.915 137 F CB 2.123 41.011 39.000 -0.187 0.000 1.161 137 F HN 0.554 nan 8.300 nan 0.000 0.445 138 V N 6.255 125.658 119.914 -0.852 0.000 2.656 138 V HA 0.574 4.714 4.120 0.035 0.000 0.307 138 V C -0.763 174.689 176.094 -1.071 0.000 1.051 138 V CA -0.877 60.887 62.300 -0.893 0.000 0.893 138 V CB 1.922 33.102 31.823 -1.073 0.000 0.999 138 V HN 0.759 nan 8.190 nan 0.000 0.426 139 R N 3.058 122.986 120.500 -0.954 0.000 2.480 139 R HA 0.680 5.040 4.340 0.035 0.000 0.306 139 R C -1.721 173.939 176.300 -1.067 0.000 0.958 139 R CA -0.435 55.214 56.100 -0.752 0.000 0.861 139 R CB 1.304 31.477 30.300 -0.212 0.000 1.171 139 R HN 0.556 nan 8.270 nan 0.000 0.445 140 F N 1.520 121.048 119.950 -0.704 0.000 2.470 140 F HA 0.583 5.133 4.527 0.038 0.000 0.329 140 F C 0.402 175.921 175.800 -0.469 0.000 1.072 140 F CA -0.386 57.121 58.000 -0.822 0.000 0.989 140 F CB 2.161 40.194 39.000 -1.612 0.000 1.193 140 F HN 0.586 nan 8.300 nan 0.000 0.481 141 S N -1.358 114.367 115.700 0.042 0.000 2.587 141 S HA 0.628 5.119 4.470 0.035 0.000 0.269 141 S C -0.565 174.197 174.600 0.269 0.000 1.154 141 S CA -0.736 57.596 58.200 0.219 0.000 0.824 141 S CB 1.224 64.584 63.200 0.268 0.000 1.118 141 S HN 0.785 nan 8.310 nan 0.000 0.462 142 T N -1.185 113.451 114.554 0.136 0.000 2.914 142 T HA 0.665 5.036 4.350 0.035 0.000 0.313 142 T C 0.855 175.397 174.700 -0.263 0.000 1.137 142 T CA 0.108 62.144 62.100 -0.107 0.000 0.946 142 T CB 0.026 68.845 68.868 -0.082 0.000 1.558 142 T HN 0.674 nan 8.240 nan 0.000 0.565 143 V N -0.479 119.249 119.914 -0.310 0.000 3.054 143 V HA 0.392 4.533 4.120 0.035 0.000 0.227 143 V C 2.639 178.610 176.094 -0.206 0.000 1.252 143 V CA 0.689 62.707 62.300 -0.471 0.000 1.279 143 V CB -0.518 31.149 31.823 -0.260 0.000 1.118 143 V HN 0.997 nan 8.190 nan 0.000 0.504 144 A N 0.315 123.070 122.820 -0.108 0.000 1.997 144 A HA 0.418 4.759 4.320 0.035 0.000 0.212 144 A C 1.560 179.123 177.584 -0.035 0.000 1.178 144 A CA 0.876 52.876 52.037 -0.062 0.000 0.698 144 A CB -0.753 18.223 19.000 -0.040 0.000 0.842 144 A HN 0.556 nan 8.150 nan 0.000 0.458 145 G N 0.308 109.096 108.800 -0.020 0.000 2.491 145 G HA2 0.393 4.373 3.960 0.035 0.000 0.238 145 G HA3 0.393 4.373 3.960 0.035 0.000 0.238 145 G C 0.177 175.081 174.900 0.007 0.000 1.277 145 G CA 0.237 45.338 45.100 0.002 0.000 0.851 145 G HN 0.280 nan 8.290 nan 0.000 0.573 146 S N 0.137 115.842 115.700 0.008 0.000 2.634 146 S HA 0.164 4.654 4.470 0.035 0.000 0.261 146 S C 1.829 176.448 174.600 0.032 0.000 1.271 146 S CA -0.618 57.590 58.200 0.013 0.000 0.985 146 S CB 1.056 64.256 63.200 -0.000 0.000 0.968 146 S HN 0.636 nan 8.310 nan 0.000 0.568 147 R N 0.490 121.013 120.500 0.039 0.000 2.154 147 R HA -0.134 4.227 4.340 0.035 0.000 0.248 147 R C 1.818 178.147 176.300 0.048 0.000 1.155 147 R CA 1.351 57.486 56.100 0.060 0.000 0.979 147 R CB -0.550 29.788 30.300 0.063 0.000 0.869 147 R HN 0.738 nan 8.270 nan 0.000 0.452 148 G N -0.045 108.771 108.800 0.028 0.000 3.189 148 G HA2 -0.017 3.964 3.960 0.035 0.000 0.225 148 G HA3 -0.017 3.964 3.960 0.035 0.000 0.225 148 G C 0.175 175.086 174.900 0.018 0.000 1.159 148 G CA -0.105 45.005 45.100 0.016 0.000 0.763 148 G HN 0.292 nan 8.290 nan 0.000 0.549 149 S N 0.004 115.721 115.700 0.029 0.000 2.608 149 S HA 0.642 5.133 4.470 0.035 0.000 0.261 149 S C 0.529 175.151 174.600 0.037 0.000 1.314 149 S CA -0.071 58.147 58.200 0.030 0.000 0.992 149 S CB 1.550 64.771 63.200 0.034 0.000 0.935 149 S HN 0.599 nan 8.310 nan 0.000 0.564 150 A N 0.747 123.584 122.820 0.029 0.000 2.388 150 A HA 0.312 4.653 4.320 0.035 0.000 0.257 150 A C 0.857 178.465 177.584 0.040 0.000 1.095 150 A CA -0.561 51.485 52.037 0.015 0.000 0.791 150 A CB -0.135 18.858 19.000 -0.011 0.000 1.029 150 A HN 0.890 nan 8.150 nan 0.000 0.489 151 D N 1.077 121.484 120.400 0.011 0.000 2.144 151 D HA -0.105 4.556 4.640 0.035 0.000 0.200 151 D C 1.798 178.091 176.300 -0.012 0.000 0.978 151 D CA 2.227 56.239 54.000 0.021 0.000 0.833 151 D CB -0.163 40.545 40.800 -0.152 0.000 0.961 151 D HN 0.721 nan 8.370 nan 0.000 0.470 152 T N -1.507 112.980 114.554 -0.113 0.000 3.324 152 T HA 0.483 4.854 4.350 0.035 0.000 0.250 152 T C 0.580 175.335 174.700 0.092 0.000 1.059 152 T CA -0.455 61.617 62.100 -0.048 0.000 0.951 152 T CB -0.052 68.691 68.868 -0.209 0.000 1.030 152 T HN 0.041 nan 8.240 nan 0.000 0.576 153 A N 1.573 124.478 122.820 0.142 0.000 2.388 153 A HA 0.522 4.862 4.320 0.035 0.000 0.257 153 A C 0.568 178.320 177.584 0.280 0.000 1.095 153 A CA -0.834 51.336 52.037 0.220 0.000 0.791 153 A CB 0.208 19.299 19.000 0.152 0.000 1.029 153 A HN 0.586 nan 8.150 nan 0.000 0.489 154 R N 1.489 122.192 120.500 0.338 0.000 2.351 154 R HA 0.286 4.647 4.340 0.035 0.000 0.318 154 R C -1.258 175.121 176.300 0.131 0.000 1.055 154 R CA 0.307 56.532 56.100 0.207 0.000 0.968 154 R CB 0.116 30.399 30.300 -0.028 0.000 0.974 154 R HN 0.854 nan 8.270 nan 0.000 0.439 155 D N 2.162 122.636 120.400 0.122 0.000 2.710 155 D HA 0.115 4.776 4.640 0.035 0.000 0.276 155 D C -1.201 175.134 176.300 0.057 0.000 1.267 155 D CA -0.473 53.552 54.000 0.042 0.000 0.772 155 D CB 1.757 42.519 40.800 -0.062 0.000 1.299 155 D HN 0.171 nan 8.370 nan 0.000 0.421 156 V N 2.305 122.270 119.914 0.085 0.000 2.715 156 V HA 0.212 4.353 4.120 0.035 0.000 0.299 156 V C 0.230 176.367 176.094 0.071 0.000 1.054 156 V CA 0.088 62.481 62.300 0.156 0.000 1.077 156 V CB 0.773 32.711 31.823 0.192 0.000 0.972 156 V HN 0.421 nan 8.190 nan 0.000 0.484 157 H N 2.302 121.515 119.070 0.237 0.000 2.457 157 H HA 0.435 5.011 4.556 0.034 0.000 0.335 157 H C 0.419 175.936 175.328 0.315 0.000 1.115 157 H CA -0.179 56.032 56.048 0.272 0.000 1.219 157 H CB 2.018 31.943 29.762 0.272 0.000 1.471 157 H HN 0.826 nan 8.280 nan 0.000 0.491 158 G N 1.226 110.286 108.800 0.433 0.000 2.503 158 G HA2 0.317 4.297 3.960 0.035 0.000 0.257 158 G HA3 0.317 4.297 3.960 0.035 0.000 0.257 158 G C -0.967 173.974 174.900 0.068 0.000 1.214 158 G CA -0.309 44.938 45.100 0.245 0.000 0.839 158 G HN 0.606 nan 8.290 nan 0.000 0.559 159 F N 1.658 121.456 119.950 -0.253 0.000 2.971 159 F HA 0.497 5.044 4.527 0.033 0.000 0.373 159 F C 0.258 175.659 175.800 -0.665 0.000 1.288 159 F CA -0.905 56.810 58.000 -0.474 0.000 1.204 159 F CB 0.839 39.675 39.000 -0.274 0.000 1.852 159 F HN 0.660 nan 8.300 nan 0.000 0.624 160 A N 2.878 125.283 122.820 -0.692 0.000 2.252 160 A HA 0.696 5.037 4.320 0.035 0.000 0.309 160 A C -0.339 176.647 177.584 -0.996 0.000 1.285 160 A CA -0.190 51.246 52.037 -1.002 0.000 0.900 160 A CB 0.555 18.543 19.000 -1.687 0.000 1.157 160 A HN 0.438 nan 8.150 nan 0.000 0.536 161 T N 2.428 116.586 114.554 -0.659 0.000 2.807 161 T HA 0.549 4.919 4.350 0.035 0.000 0.279 161 T C -0.070 174.362 174.700 -0.448 0.000 0.993 161 T CA -0.467 61.285 62.100 -0.580 0.000 0.970 161 T CB 1.213 69.678 68.868 -0.671 0.000 0.950 161 T HN 0.742 nan 8.240 nan 0.000 0.441 162 R N 2.127 122.404 120.500 -0.372 0.000 2.514 162 R HA 0.601 4.961 4.340 0.035 0.000 0.301 162 R C -1.556 174.278 176.300 -0.776 0.000 0.962 162 R CA -0.702 55.104 56.100 -0.490 0.000 0.882 162 R CB 0.738 30.754 30.300 -0.473 0.000 1.143 162 R HN 0.509 nan 8.270 nan 0.000 0.452 163 F N 4.197 123.866 119.950 -0.468 0.000 2.375 163 F HA 0.315 4.860 4.527 0.029 0.000 0.361 163 F C -0.620 174.970 175.800 -0.351 0.000 1.117 163 F CA -0.649 57.123 58.000 -0.380 0.000 1.037 163 F CB 1.151 39.793 39.000 -0.597 0.000 1.192 163 F HN 0.498 nan 8.300 nan 0.000 0.452 164 Y N 1.879 122.206 120.300 0.045 0.000 2.623 164 Y HA 0.143 4.714 4.550 0.035 0.000 0.341 164 Y C 1.275 177.216 175.900 0.068 0.000 1.292 164 Y CA -0.761 57.355 58.100 0.028 0.000 1.840 164 Y CB -0.712 37.761 38.460 0.021 0.000 1.865 164 Y HN 0.520 nan 8.280 nan 0.000 0.440 165 T N -3.477 111.160 114.554 0.139 0.000 2.816 165 T HA 0.021 4.392 4.350 0.035 0.000 0.282 165 T C 1.052 175.831 174.700 0.131 0.000 0.993 165 T CA -0.584 61.605 62.100 0.149 0.000 0.994 165 T CB 1.038 69.972 68.868 0.110 0.000 1.025 165 T HN 0.548 nan 8.240 nan 0.000 0.529 166 D N -0.822 119.658 120.400 0.134 0.000 2.363 166 D HA -0.028 4.633 4.640 0.035 0.000 0.226 166 D C 0.469 176.821 176.300 0.087 0.000 1.020 166 D CA 0.261 54.323 54.000 0.103 0.000 0.892 166 D CB -0.148 40.712 40.800 0.099 0.000 0.900 166 D HN 0.843 nan 8.370 nan 0.000 0.531 167 E N 0.331 120.584 120.200 0.088 0.000 3.858 167 E HA 0.479 4.849 4.350 0.035 0.000 0.208 167 E C 0.036 176.674 176.600 0.063 0.000 1.041 167 E CA -0.419 56.028 56.400 0.077 0.000 1.368 167 E CB 0.786 30.537 29.700 0.084 0.000 1.176 167 E HN 0.309 nan 8.360 nan 0.000 0.448 168 G N 1.541 110.368 108.800 0.045 0.000 2.662 168 G HA2 -0.201 3.779 3.960 0.035 0.000 0.686 168 G HA3 -0.201 3.779 3.960 0.035 0.000 0.686 168 G C -0.756 174.131 174.900 -0.021 0.000 1.271 168 G CA -1.133 43.972 45.100 0.008 0.000 0.816 168 G HN 0.184 nan 8.290 nan 0.000 0.608 169 N N -0.271 118.361 118.700 -0.113 0.000 2.470 169 N HA 0.500 5.260 4.740 0.035 0.000 0.268 169 N C -0.620 174.835 175.510 -0.092 0.000 1.136 169 N CA 0.040 52.962 53.050 -0.213 0.000 0.961 169 N CB 0.918 39.139 38.487 -0.444 0.000 1.067 169 N HN 0.525 nan 8.380 nan 0.000 0.468 170 F N 2.262 122.070 119.950 -0.235 0.000 2.426 170 F HA 0.356 4.897 4.527 0.023 0.000 0.348 170 F C -0.797 174.913 175.800 -0.151 0.000 1.124 170 F CA -1.224 56.657 58.000 -0.198 0.000 1.008 170 F CB 0.851 39.658 39.000 -0.321 0.000 1.139 170 F HN 0.254 nan 8.300 nan 0.000 0.452 171 D N 6.914 126.906 120.400 -0.679 0.000 2.308 171 D HA 0.385 5.046 4.640 0.035 0.000 0.242 171 D C -0.301 175.442 176.300 -0.929 0.000 1.059 171 D CA 0.078 53.718 54.000 -0.599 0.000 0.830 171 D CB 2.135 42.836 40.800 -0.165 0.000 1.161 171 D HN 0.441 nan 8.370 nan 0.000 0.494 172 I N 2.320 122.414 120.570 -0.793 0.000 2.361 172 I HA 0.136 4.327 4.170 0.035 0.000 0.282 172 I C -0.324 175.533 176.117 -0.433 0.000 1.075 172 I CA -0.748 60.145 61.300 -0.678 0.000 1.205 172 I CB 0.977 38.599 38.000 -0.630 0.000 1.406 172 I HN -0.021 nan 8.210 nan 0.000 0.481 173 V N 6.082 125.768 119.914 -0.380 0.000 2.356 173 V HA 0.453 4.594 4.120 0.035 0.000 0.258 173 V C 0.860 176.807 176.094 -0.245 0.000 1.065 173 V CA -0.112 61.970 62.300 -0.363 0.000 0.935 173 V CB 0.365 31.964 31.823 -0.374 0.000 1.061 173 V HN 0.835 nan 8.190 nan 0.000 0.484 174 G N 3.965 112.641 108.800 -0.207 0.000 3.042 174 G HA2 0.655 4.636 3.960 0.035 0.000 0.278 174 G HA3 0.655 4.636 3.960 0.035 0.000 0.278 174 G C -1.007 173.893 174.900 0.001 0.000 1.371 174 G CA -0.697 44.351 45.100 -0.088 0.000 1.009 174 G HN 0.497 nan 8.290 nan 0.000 0.523 175 N N -0.749 118.011 118.700 0.100 0.000 2.701 175 N HA 0.241 5.002 4.740 0.035 0.000 0.290 175 N C 0.744 176.435 175.510 0.301 0.000 1.338 175 N CA -0.783 52.400 53.050 0.222 0.000 0.799 175 N CB 1.401 40.027 38.487 0.231 0.000 1.491 175 N HN 0.558 nan 8.380 nan 0.000 0.540 176 N N 0.080 118.995 118.700 0.358 0.000 2.467 176 N HA 0.040 4.800 4.740 0.035 0.000 0.184 176 N C -0.247 175.483 175.510 0.366 0.000 1.106 176 N CA 0.481 53.766 53.050 0.393 0.000 0.892 176 N CB 0.570 39.280 38.487 0.371 0.000 0.969 176 N HN 0.475 nan 8.380 nan 0.000 0.454 177 I N 1.622 122.273 120.570 0.135 0.000 2.404 177 I HA 0.250 4.441 4.170 0.035 0.000 0.293 177 I C -1.495 174.234 176.117 -0.647 0.000 0.992 177 I CA -2.444 58.624 61.300 -0.386 0.000 1.149 177 I CB 2.549 40.313 38.000 -0.393 0.000 1.315 177 I HN -0.226 nan 8.210 nan 0.000 0.446 178 P HA -0.042 nan 4.420 nan 0.000 0.229 178 P C 0.126 177.021 177.300 -0.674 0.000 1.160 178 P CA 0.828 63.154 63.100 -1.290 0.000 0.777 178 P CB 0.143 30.780 31.700 -1.772 0.000 0.814 179 V N -4.242 115.236 119.914 -0.727 0.000 2.864 179 V HA 0.682 4.823 4.120 0.035 0.000 0.314 179 V C -0.793 175.116 176.094 -0.309 0.000 1.073 179 V CA -1.385 60.667 62.300 -0.415 0.000 0.956 179 V CB 2.041 33.608 31.823 -0.426 0.000 1.023 179 V HN -0.179 nan 8.190 nan 0.000 0.435 180 F N 1.280 121.060 119.950 -0.283 0.000 2.556 180 F HA 0.684 5.234 4.527 0.038 0.000 0.327 180 F C 0.806 176.533 175.800 -0.122 0.000 1.059 180 F CA -1.242 56.630 58.000 -0.213 0.000 0.953 180 F CB 2.006 40.990 39.000 -0.027 0.000 1.227 180 F HN 0.559 nan 8.300 nan 0.000 0.478 181 F N 2.326 121.969 119.950 -0.512 0.000 2.069 181 F HA -0.117 4.430 4.527 0.034 0.000 0.298 181 F C 1.022 176.867 175.800 0.076 0.000 1.113 181 F CA 1.461 59.333 58.000 -0.214 0.000 1.214 181 F CB -0.419 38.419 39.000 -0.270 0.000 0.978 181 F HN 0.181 nan 8.300 nan 0.000 0.474 182 I N -2.195 118.660 120.570 0.475 0.000 2.707 182 I HA 0.326 4.517 4.170 0.035 0.000 0.309 182 I C 0.362 176.723 176.117 0.407 0.000 1.001 182 I CA -0.758 60.800 61.300 0.430 0.000 1.129 182 I CB 1.538 39.825 38.000 0.478 0.000 1.308 182 I HN 0.002 nan 8.210 nan 0.000 0.466 183 Q N 0.439 120.436 119.800 0.329 0.000 2.378 183 Q HA 0.197 4.558 4.340 0.035 0.000 0.216 183 Q C -0.538 175.633 176.000 0.285 0.000 0.892 183 Q CA 0.291 56.308 55.803 0.357 0.000 0.931 183 Q CB 0.617 29.616 28.738 0.436 0.000 1.086 183 Q HN 0.632 nan 8.270 nan 0.000 0.528 184 D N -1.049 119.487 120.400 0.228 0.000 2.646 184 D HA 0.341 5.001 4.640 0.035 0.000 0.245 184 D C -0.234 176.172 176.300 0.178 0.000 1.099 184 D CA -0.305 53.785 54.000 0.150 0.000 0.849 184 D CB 1.899 42.752 40.800 0.088 0.000 1.448 184 D HN 0.002 nan 8.370 nan 0.000 0.489 185 A N 3.791 126.685 122.820 0.124 0.000 2.119 185 A HA -0.066 4.274 4.320 0.035 0.000 0.217 185 A C 2.071 179.741 177.584 0.143 0.000 1.153 185 A CA 0.486 52.599 52.037 0.125 0.000 0.692 185 A CB -0.402 18.619 19.000 0.035 0.000 0.799 185 A HN 0.725 nan 8.150 nan 0.000 0.458 186 I N -0.844 119.786 120.570 0.100 0.000 2.614 186 I HA -0.153 4.038 4.170 0.035 0.000 0.258 186 I C 1.867 178.050 176.117 0.109 0.000 1.189 186 I CA 0.804 62.152 61.300 0.080 0.000 1.462 186 I CB -0.036 37.984 38.000 0.034 0.000 1.092 186 I HN 0.266 nan 8.210 nan 0.000 0.442 187 R N -0.600 119.996 120.500 0.160 0.000 2.310 187 R HA -0.021 4.339 4.340 0.035 0.000 0.202 187 R C 1.684 178.095 176.300 0.186 0.000 0.933 187 R CA 0.179 56.383 56.100 0.173 0.000 1.054 187 R CB -0.141 30.294 30.300 0.226 0.000 0.985 187 R HN 0.280 nan 8.270 nan 0.000 0.489 188 F N 2.858 122.847 119.950 0.066 0.000 2.146 188 F HA -0.016 4.534 4.527 0.039 0.000 0.298 188 F C -0.908 174.849 175.800 -0.072 0.000 1.096 188 F CA 0.732 58.769 58.000 0.062 0.000 1.275 188 F CB -0.568 38.489 39.000 0.096 0.000 1.008 188 F HN -0.068 nan 8.300 nan 0.000 0.480 189 P HA -0.135 nan 4.420 nan 0.000 0.217 189 P C 1.123 178.040 177.300 -0.639 0.000 1.150 189 P CA 1.778 64.618 63.100 -0.433 0.000 0.832 189 P CB -0.077 31.406 31.700 -0.361 0.000 0.787 190 D N -0.687 119.471 120.400 -0.403 0.000 2.117 190 D HA -0.127 4.534 4.640 0.035 0.000 0.197 190 D C 1.914 177.746 176.300 -0.780 0.000 0.987 190 D CA 0.917 54.689 54.000 -0.380 0.000 0.829 190 D CB -0.688 40.073 40.800 -0.065 0.000 0.961 190 D HN 0.094 nan 8.370 nan 0.000 0.460 191 L N 0.947 121.646 121.223 -0.875 0.000 2.027 191 L HA -0.120 4.241 4.340 0.035 0.000 0.206 191 L C 2.036 178.393 176.870 -0.855 0.000 1.074 191 L CA 1.368 55.480 54.840 -1.214 0.000 0.745 191 L CB -0.407 41.289 42.059 -0.605 0.000 0.898 191 L HN -0.084 nan 8.230 nan 0.000 0.433 192 I N -0.722 119.438 120.570 -0.684 0.000 2.353 192 I HA -0.253 3.938 4.170 0.035 0.000 0.248 192 I C 2.539 178.521 176.117 -0.224 0.000 1.119 192 I CA 1.365 62.380 61.300 -0.474 0.000 1.417 192 I CB -1.482 36.211 38.000 -0.512 0.000 1.078 192 I HN 0.463 nan 8.210 nan 0.000 0.421 193 H N 0.508 119.362 119.070 -0.360 0.000 2.387 193 H HA -0.118 4.459 4.556 0.034 0.000 0.299 193 H C 2.468 177.648 175.328 -0.246 0.000 1.090 193 H CA 1.528 57.428 56.048 -0.247 0.000 1.332 193 H CB 0.321 29.964 29.762 -0.198 0.000 1.386 193 H HN 0.376 nan 8.280 nan 0.000 0.516 194 S N 0.828 116.370 115.700 -0.262 0.000 2.387 194 S HA -0.118 4.373 4.470 0.035 0.000 0.226 194 S C 2.345 176.776 174.600 -0.282 0.000 1.026 194 S CA 1.176 59.187 58.200 -0.314 0.000 0.972 194 S CB -0.823 62.044 63.200 -0.555 0.000 0.814 194 S HN 0.336 nan 8.310 nan 0.000 0.477 195 V N -0.782 118.936 119.914 -0.327 0.000 2.649 195 V HA 0.251 4.392 4.120 0.035 0.000 0.248 195 V C 0.985 177.110 176.094 0.051 0.000 1.054 195 V CA 0.364 62.544 62.300 -0.201 0.000 1.073 195 V CB -0.967 30.695 31.823 -0.269 0.000 0.699 195 V HN 0.251 nan 8.190 nan 0.000 0.463 196 K N 1.173 121.553 120.400 -0.033 0.000 2.149 196 K HA 0.326 4.666 4.320 0.035 0.000 0.245 196 K C -2.346 174.219 176.600 -0.059 0.000 1.024 196 K CA -1.710 54.553 56.287 -0.040 0.000 0.899 196 K CB 0.006 32.456 32.500 -0.083 0.000 1.038 196 K HN 0.219 nan 8.250 nan 0.000 0.496 197 P HA -0.074 nan 4.420 nan 0.000 0.268 197 P C -0.643 176.564 177.300 -0.155 0.000 1.208 197 P CA 0.065 63.033 63.100 -0.220 0.000 0.777 197 P CB 0.578 32.183 31.700 -0.158 0.000 0.875 198 S N 3.185 118.791 115.700 -0.157 0.000 2.537 198 S HA 0.083 4.574 4.470 0.035 0.000 0.286 198 S C -1.181 173.369 174.600 -0.082 0.000 1.299 198 S CA -1.036 57.118 58.200 -0.077 0.000 1.067 198 S CB -0.330 62.842 63.200 -0.046 0.000 0.864 198 S HN 0.320 nan 8.310 nan 0.000 0.494 199 P HA -0.042 nan 4.420 nan 0.000 0.230 199 P C 0.547 177.808 177.300 -0.064 0.000 1.158 199 P CA 0.655 63.701 63.100 -0.090 0.000 0.769 199 P CB -0.005 31.631 31.700 -0.106 0.000 0.807 200 D N 0.907 121.278 120.400 -0.049 0.000 2.183 200 D HA -0.114 4.547 4.640 0.035 0.000 0.205 200 D C 1.217 177.496 176.300 -0.036 0.000 0.962 200 D CA 1.109 55.087 54.000 -0.036 0.000 0.849 200 D CB -1.136 39.648 40.800 -0.025 0.000 0.978 200 D HN 0.208 nan 8.370 nan 0.000 0.488 201 N N -0.172 118.503 118.700 -0.041 0.000 2.166 201 N HA -0.017 4.743 4.740 0.035 0.000 0.213 201 N C -0.163 175.317 175.510 -0.050 0.000 1.222 201 N CA 0.219 53.246 53.050 -0.039 0.000 0.900 201 N CB -0.109 38.359 38.487 -0.031 0.000 1.055 201 N HN 0.285 nan 8.380 nan 0.000 0.515 202 E N -0.065 120.096 120.200 -0.065 0.000 2.230 202 E HA -0.158 4.212 4.350 0.035 0.000 0.206 202 E C -1.510 175.038 176.600 -0.086 0.000 1.309 202 E CA 0.097 56.450 56.400 -0.079 0.000 0.697 202 E CB -1.104 28.558 29.700 -0.065 0.000 1.146 202 E HN 0.203 nan 8.360 nan 0.000 0.363 203 V N 1.528 121.376 119.914 -0.110 0.000 2.841 203 V HA 0.601 4.742 4.120 0.035 0.000 0.310 203 V C -2.225 173.722 176.094 -0.245 0.000 1.090 203 V CA -1.237 60.988 62.300 -0.125 0.000 0.930 203 V CB 2.148 33.928 31.823 -0.071 0.000 1.014 203 V HN 0.197 nan 8.190 nan 0.000 0.425 204 P HA 0.407 nan 4.420 nan 0.000 0.290 204 P C -1.381 175.834 177.300 -0.142 0.000 1.283 204 P CA -0.786 62.211 63.100 -0.171 0.000 0.869 204 P CB 1.377 33.009 31.700 -0.113 0.000 1.100 205 Q N 2.270 122.036 119.800 -0.058 0.000 2.327 205 Q HA 0.426 4.787 4.340 0.035 0.000 0.254 205 Q C 0.167 176.172 176.000 0.009 0.000 0.952 205 Q CA 0.255 56.041 55.803 -0.030 0.000 0.884 205 Q CB -0.348 28.383 28.738 -0.011 0.000 1.224 205 Q HN 0.666 nan 8.270 nan 0.000 0.422 206 A N 2.355 125.182 122.820 0.012 0.000 2.364 206 A HA 0.132 4.473 4.320 0.035 0.000 0.288 206 A C -0.228 177.409 177.584 0.088 0.000 1.433 206 A CA 1.146 53.208 52.037 0.042 0.000 0.757 206 A CB -1.897 17.132 19.000 0.048 0.000 1.098 206 A HN 1.461 nan 8.150 nan 0.000 0.380 207 A N -0.680 122.200 122.820 0.100 0.000 2.577 207 A HA 0.781 5.122 4.320 0.035 0.000 0.297 207 A C 0.589 178.331 177.584 0.263 0.000 1.060 207 A CA 0.523 52.662 52.037 0.170 0.000 0.697 207 A CB 0.273 19.377 19.000 0.173 0.000 1.281 207 A HN 1.685 nan 8.150 nan 0.000 0.402 208 T N -1.016 113.686 114.554 0.248 0.000 3.086 208 T HA 0.405 4.776 4.350 0.035 0.000 0.250 208 T C 0.867 175.754 174.700 0.311 0.000 1.074 208 T CA 0.868 63.094 62.100 0.211 0.000 0.988 208 T CB 0.048 69.014 68.868 0.163 0.000 0.988 208 T HN 1.676 nan 8.240 nan 0.000 0.530 209 A N 2.369 125.402 122.820 0.354 0.000 3.063 209 A HA 0.533 4.874 4.320 0.035 0.000 0.263 209 A C 0.103 177.829 177.584 0.238 0.000 1.736 209 A CA -0.651 51.517 52.037 0.217 0.000 1.408 209 A CB -1.369 17.540 19.000 -0.151 0.000 1.108 209 A HN 0.949 nan 8.150 nan 0.000 0.621 210 H N -3.796 115.387 119.070 0.189 0.000 2.981 210 H HA 0.500 5.076 4.556 0.034 0.000 0.327 210 H C -0.237 175.187 175.328 0.160 0.000 1.342 210 H CA -0.753 55.368 56.048 0.122 0.000 1.123 210 H CB 0.216 30.015 29.762 0.061 0.000 1.851 210 H HN 0.048 nan 8.280 nan 0.000 0.531 211 D N 0.272 120.758 120.400 0.144 0.000 2.104 211 D HA -0.217 4.443 4.640 0.035 0.000 0.194 211 D C 2.093 178.397 176.300 0.006 0.000 0.994 211 D CA 2.820 56.866 54.000 0.077 0.000 0.830 211 D CB -0.212 40.634 40.800 0.077 0.000 0.959 211 D HN 0.573 nan 8.370 nan 0.000 0.452 212 S N 0.247 115.927 115.700 -0.033 0.000 2.383 212 S HA -0.061 4.430 4.470 0.035 0.000 0.227 212 S C 2.132 176.559 174.600 -0.289 0.000 1.026 212 S CA 1.004 59.148 58.200 -0.094 0.000 0.981 212 S CB -0.471 62.724 63.200 -0.008 0.000 0.818 212 S HN 0.271 nan 8.310 nan 0.000 0.472 213 A N 1.128 123.607 122.820 -0.568 0.000 1.858 213 A HA 0.010 4.350 4.320 0.035 0.000 0.216 213 A C 1.877 178.790 177.584 -1.117 0.000 1.190 213 A CA 1.295 52.792 52.037 -0.900 0.000 0.617 213 A CB -1.337 17.140 19.000 -0.873 0.000 0.827 213 A HN 0.738 nan 8.150 nan 0.000 0.443 214 W N -0.192 120.814 121.300 -0.490 0.000 2.678 214 W HA 0.054 4.735 4.660 0.036 0.000 0.256 214 W C 1.731 178.191 176.519 -0.099 0.000 1.280 214 W CA 0.727 57.990 57.345 -0.136 0.000 1.345 214 W CB -0.119 29.366 29.460 0.041 0.000 1.118 214 W HN 0.488 nan 8.180 nan 0.000 0.629 215 D N -0.429 119.988 120.400 0.028 0.000 2.117 215 D HA -0.228 4.433 4.640 0.035 0.000 0.198 215 D C 1.844 178.132 176.300 -0.020 0.000 0.982 215 D CA 1.117 55.132 54.000 0.025 0.000 0.828 215 D CB -0.392 40.417 40.800 0.015 0.000 0.967 215 D HN 0.105 nan 8.370 nan 0.000 0.464 216 F N -0.191 119.581 119.950 -0.297 0.000 2.163 216 F HA -0.056 4.491 4.527 0.034 0.000 0.297 216 F C 1.747 177.436 175.800 -0.186 0.000 1.094 216 F CA 1.022 58.844 58.000 -0.297 0.000 1.290 216 F CB -0.266 38.463 39.000 -0.451 0.000 1.017 216 F HN -0.124 nan 8.300 nan 0.000 0.483 217 F N 0.690 120.596 119.950 -0.074 0.000 2.134 217 F HA -0.169 4.378 4.527 0.034 0.000 0.299 217 F C 2.956 178.688 175.800 -0.115 0.000 1.097 217 F CA 1.210 59.120 58.000 -0.151 0.000 1.264 217 F CB -1.776 37.087 39.000 -0.229 0.000 1.001 217 F HN 0.093 nan 8.300 nan 0.000 0.479 218 S N -1.328 114.462 115.700 0.151 0.000 2.387 218 S HA -0.103 4.388 4.470 0.035 0.000 0.226 218 S C 2.036 176.642 174.600 0.010 0.000 1.026 218 S CA 1.171 59.443 58.200 0.120 0.000 0.972 218 S CB -0.761 62.537 63.200 0.163 0.000 0.814 218 S HN 0.233 nan 8.310 nan 0.000 0.477 219 S N 0.794 116.447 115.700 -0.079 0.000 2.414 219 S HA 0.127 4.618 4.470 0.035 0.000 0.227 219 S C 0.915 175.374 174.600 -0.235 0.000 1.022 219 S CA 0.605 58.728 58.200 -0.128 0.000 0.958 219 S CB -0.159 62.966 63.200 -0.125 0.000 0.797 219 S HN 0.582 nan 8.310 nan 0.000 0.493 220 Q N 0.873 120.426 119.800 -0.411 0.000 2.571 220 Q HA 0.339 4.700 4.340 0.035 0.000 0.243 220 Q C -2.390 173.393 176.000 -0.361 0.000 1.055 220 Q CA -2.390 53.123 55.803 -0.483 0.000 0.815 220 Q CB 1.263 29.458 28.738 -0.905 0.000 1.151 220 Q HN -0.010 nan 8.270 nan 0.000 0.519 221 P HA -0.170 nan 4.420 nan 0.000 0.223 221 P C 0.817 177.827 177.300 -0.483 0.000 1.144 221 P CA 1.282 64.178 63.100 -0.340 0.000 0.783 221 P CB 0.267 31.765 31.700 -0.338 0.000 0.771 222 S N -0.418 114.909 115.700 -0.622 0.000 2.419 222 S HA -0.115 4.375 4.470 0.035 0.000 0.233 222 S C 1.972 176.530 174.600 -0.071 0.000 1.016 222 S CA 1.062 59.060 58.200 -0.336 0.000 0.974 222 S CB -1.275 61.814 63.200 -0.185 0.000 0.786 222 S HN 0.147 nan 8.310 nan 0.000 0.492 223 A N 1.216 124.030 122.820 -0.010 0.000 2.206 223 A HA 0.373 4.714 4.320 0.035 0.000 0.211 223 A C 2.035 179.668 177.584 0.082 0.000 1.158 223 A CA 0.347 52.507 52.037 0.205 0.000 0.761 223 A CB -0.687 18.565 19.000 0.419 0.000 0.801 223 A HN 0.551 nan 8.150 nan 0.000 0.473 224 L N -1.696 119.519 121.223 -0.013 0.000 2.131 224 L HA -0.192 4.169 4.340 0.035 0.000 0.210 224 L C 2.486 179.370 176.870 0.024 0.000 1.092 224 L CA 1.562 56.398 54.840 -0.006 0.000 0.759 224 L CB -0.603 41.432 42.059 -0.040 0.000 0.903 224 L HN 0.647 nan 8.230 nan 0.000 0.435 225 H N -0.339 118.650 119.070 -0.135 0.000 2.299 225 H HA -0.147 4.429 4.556 0.035 0.000 0.302 225 H C 2.090 177.389 175.328 -0.048 0.000 1.078 225 H CA 1.605 57.590 56.048 -0.106 0.000 1.323 225 H CB 0.403 30.112 29.762 -0.088 0.000 1.381 225 H HN 0.200 nan 8.280 nan 0.000 0.498 226 T N 1.713 116.114 114.554 -0.255 0.000 2.915 226 T HA -0.124 4.247 4.350 0.035 0.000 0.269 226 T C 2.141 176.632 174.700 -0.347 0.000 1.071 226 T CA 0.691 62.453 62.100 -0.565 0.000 1.132 226 T CB -0.234 67.817 68.868 -1.361 0.000 0.878 226 T HN 0.266 nan 8.240 nan 0.000 0.479 227 L N -0.162 120.955 121.223 -0.177 0.000 1.989 227 L HA -0.117 4.244 4.340 0.035 0.000 0.211 227 L C 2.202 179.102 176.870 0.051 0.000 1.071 227 L CA 1.788 56.546 54.840 -0.138 0.000 0.749 227 L CB -0.368 41.514 42.059 -0.294 0.000 0.890 227 L HN 0.273 nan 8.230 nan 0.000 0.431 228 F N -1.428 118.475 119.950 -0.078 0.000 2.126 228 F HA -0.297 4.250 4.527 0.034 0.000 0.299 228 F C 2.106 177.848 175.800 -0.097 0.000 1.096 228 F CA 1.414 59.425 58.000 0.017 0.000 1.255 228 F CB -0.401 38.671 39.000 0.120 0.000 0.997 228 F HN 0.172 nan 8.300 nan 0.000 0.479 229 W N -0.098 120.995 121.300 -0.344 0.000 2.358 229 W HA -0.181 4.501 4.660 0.037 0.000 0.303 229 W C 2.576 179.050 176.519 -0.075 0.000 1.208 229 W CA 1.568 58.677 57.345 -0.393 0.000 1.274 229 W CB -0.856 28.275 29.460 -0.549 0.000 1.138 229 W HN -0.092 nan 8.180 nan 0.000 0.515 230 A N -0.839 122.061 122.820 0.134 0.000 1.969 230 A HA -0.155 4.186 4.320 0.035 0.000 0.218 230 A C 1.883 179.527 177.584 0.101 0.000 1.169 230 A CA 1.370 53.477 52.037 0.118 0.000 0.635 230 A CB -0.514 18.530 19.000 0.073 0.000 0.810 230 A HN 0.102 nan 8.150 nan 0.000 0.445 231 M N 0.573 120.217 119.600 0.074 0.000 2.558 231 M HA 0.028 4.529 4.480 0.035 0.000 0.255 231 M C 1.458 177.822 176.300 0.106 0.000 1.113 231 M CA 0.806 56.136 55.300 0.049 0.000 1.097 231 M CB -1.263 31.333 32.600 -0.007 0.000 1.426 231 M HN 0.567 nan 8.290 nan 0.000 0.488 232 S N -0.427 115.386 115.700 0.188 0.000 2.607 232 S HA 0.465 4.955 4.470 0.035 0.000 0.272 232 S C 1.531 176.265 174.600 0.223 0.000 1.166 232 S CA -0.071 58.276 58.200 0.246 0.000 1.021 232 S CB 0.203 63.612 63.200 0.348 0.000 1.113 232 S HN 0.323 nan 8.310 nan 0.000 0.531 233 G N 0.645 109.598 108.800 0.256 0.000 2.462 233 G HA2 -0.203 3.777 3.960 0.035 0.000 0.220 233 G HA3 -0.203 3.777 3.960 0.035 0.000 0.220 233 G C 1.063 176.053 174.900 0.151 0.000 1.121 233 G CA 0.832 46.043 45.100 0.185 0.000 0.758 233 G HN 0.720 nan 8.290 nan 0.000 0.559 234 N N 0.811 119.648 118.700 0.228 0.000 2.289 234 N HA -0.032 4.729 4.740 0.035 0.000 0.184 234 N C 2.228 177.902 175.510 0.274 0.000 1.016 234 N CA 1.157 54.366 53.050 0.266 0.000 0.872 234 N CB -0.391 38.348 38.487 0.420 0.000 0.973 234 N HN 0.303 nan 8.380 nan 0.000 0.433 235 G N 0.524 109.481 108.800 0.262 0.000 2.421 235 G HA2 -0.038 3.943 3.960 0.035 0.000 0.217 235 G HA3 -0.038 3.943 3.960 0.035 0.000 0.217 235 G C 0.670 175.780 174.900 0.351 0.000 1.143 235 G CA 0.457 45.729 45.100 0.287 0.000 0.784 235 G HN 0.459 nan 8.290 nan 0.000 0.541 236 I N -1.280 119.442 120.570 0.253 0.000 2.833 236 I HA 0.382 4.573 4.170 0.035 0.000 0.286 236 I C -2.842 173.363 176.117 0.148 0.000 1.287 236 I CA -2.646 58.804 61.300 0.250 0.000 1.046 236 I CB 1.873 40.013 38.000 0.234 0.000 1.612 236 I HN -0.201 nan 8.210 nan 0.000 0.585 237 P HA 0.162 nan 4.420 nan 0.000 0.274 237 P C 0.469 177.783 177.300 0.024 0.000 1.237 237 P CA -0.315 62.753 63.100 -0.054 0.000 0.793 237 P CB 1.604 33.162 31.700 -0.237 0.000 0.977 238 R N 2.186 122.669 120.500 -0.028 0.000 2.070 238 R HA -0.056 4.305 4.340 0.035 0.000 0.233 238 R C 0.719 177.048 176.300 0.049 0.000 1.137 238 R CA 2.115 58.247 56.100 0.055 0.000 0.945 238 R CB -0.862 29.314 30.300 -0.207 0.000 0.845 238 R HN 0.725 nan 8.270 nan 0.000 0.430 239 S N -3.435 112.152 115.700 -0.188 0.000 2.656 239 S HA 0.273 4.764 4.470 0.035 0.000 0.273 239 S C 0.271 174.584 174.600 -0.478 0.000 1.168 239 S CA -0.705 57.241 58.200 -0.423 0.000 0.817 239 S CB 0.049 63.157 63.200 -0.153 0.000 1.146 239 S HN 0.075 nan 8.310 nan 0.000 0.475 240 Y N 1.043 121.011 120.300 -0.554 0.000 2.224 240 Y HA 0.054 4.626 4.550 0.037 0.000 0.289 240 Y C 2.636 178.244 175.900 -0.487 0.000 1.146 240 Y CA 1.267 58.907 58.100 -0.767 0.000 1.182 240 Y CB -0.720 36.909 38.460 -1.386 0.000 0.983 240 Y HN 0.582 nan 8.280 nan 0.000 0.524 241 R N -0.746 119.652 120.500 -0.169 0.000 2.148 241 R HA -0.115 4.246 4.340 0.035 0.000 0.227 241 R C 0.294 176.383 176.300 -0.353 0.000 1.103 241 R CA 1.263 57.236 56.100 -0.213 0.000 0.983 241 R CB -0.435 29.651 30.300 -0.356 0.000 0.874 241 R HN 0.467 nan 8.270 nan 0.000 0.451 242 H N -0.587 118.394 119.070 -0.148 0.000 2.591 242 H HA 0.293 4.870 4.556 0.035 0.000 0.302 242 H C -0.323 174.978 175.328 -0.045 0.000 1.163 242 H CA 0.025 55.988 56.048 -0.141 0.000 1.049 242 H CB 0.064 29.690 29.762 -0.227 0.000 1.543 242 H HN -0.053 nan 8.280 nan 0.000 0.523 243 M N 0.315 120.021 119.600 0.177 0.000 2.393 243 M HA 0.269 4.770 4.480 0.035 0.000 0.316 243 M C -0.773 175.797 176.300 0.450 0.000 1.087 243 M CA -0.958 54.499 55.300 0.262 0.000 0.937 243 M CB 2.285 35.026 32.600 0.235 0.000 1.668 243 M HN 0.078 nan 8.290 nan 0.000 0.438 244 D N 1.229 121.818 120.400 0.315 0.000 2.354 244 D HA 0.612 5.273 4.640 0.035 0.000 0.247 244 D C -0.016 176.303 176.300 0.033 0.000 1.138 244 D CA 0.198 54.311 54.000 0.189 0.000 0.958 244 D CB 1.391 42.204 40.800 0.021 0.000 1.144 244 D HN 0.786 nan 8.370 nan 0.000 0.458 245 G N -0.427 108.121 108.800 -0.419 0.000 2.563 245 G HA2 0.634 4.614 3.960 0.035 0.000 0.302 245 G HA3 0.634 4.614 3.960 0.035 0.000 0.302 245 G C -1.545 172.825 174.900 -0.882 0.000 1.301 245 G CA -0.575 44.130 45.100 -0.659 0.000 0.965 245 G HN 0.243 nan 8.290 nan 0.000 0.480 246 F N -0.113 119.757 119.950 -0.134 0.000 2.581 246 F HA 0.480 5.027 4.527 0.034 0.000 0.311 246 F C 1.120 176.839 175.800 -0.134 0.000 1.113 246 F CA -0.525 57.365 58.000 -0.183 0.000 0.935 246 F CB 2.585 41.452 39.000 -0.222 0.000 1.232 246 F HN 0.613 nan 8.300 nan 0.000 0.445 247 G N 1.522 110.378 108.800 0.094 0.000 2.484 247 G HA2 0.036 4.016 3.960 0.035 0.000 0.218 247 G HA3 0.036 4.016 3.960 0.035 0.000 0.218 247 G C 1.256 176.215 174.900 0.098 0.000 1.130 247 G CA 0.999 46.203 45.100 0.173 0.000 0.784 247 G HN 0.820 nan 8.290 nan 0.000 0.543 248 I N -1.308 119.272 120.570 0.016 0.000 4.624 248 I HA -0.324 3.866 4.170 0.035 0.000 0.049 248 I C 0.511 176.565 176.117 -0.105 0.000 0.621 248 I CA 1.515 62.733 61.300 -0.137 0.000 0.836 248 I CB -1.365 36.450 38.000 -0.308 0.000 0.765 248 I HN 0.243 nan 8.210 nan 0.000 0.159 249 H N 2.617 121.692 119.070 0.009 0.000 2.771 249 H HA 0.222 4.799 4.556 0.035 0.000 0.364 249 H C 0.118 175.331 175.328 -0.191 0.000 1.133 249 H CA 0.590 56.531 56.048 -0.178 0.000 1.423 249 H CB 0.325 29.800 29.762 -0.478 0.000 1.425 249 H HN 0.205 nan 8.280 nan 0.000 0.606 250 T N 4.425 118.939 114.554 -0.067 0.000 2.761 250 T HA 0.241 4.612 4.350 0.035 0.000 0.296 250 T C 0.245 174.822 174.700 -0.205 0.000 0.934 250 T CA -0.070 61.994 62.100 -0.060 0.000 1.091 250 T CB -0.258 68.603 68.868 -0.012 0.000 0.896 250 T HN 0.210 nan 8.240 nan 0.000 0.515 251 F N 1.458 121.451 119.950 0.071 0.000 2.525 251 F HA 0.604 5.151 4.527 0.033 0.000 0.346 251 F C 1.087 176.884 175.800 -0.004 0.000 1.072 251 F CA -1.291 56.765 58.000 0.094 0.000 1.033 251 F CB 1.258 40.394 39.000 0.226 0.000 1.324 251 F HN 0.165 nan 8.300 nan 0.000 0.491 252 R N 1.043 121.675 120.500 0.221 0.000 2.494 252 R HA 0.551 4.912 4.340 0.035 0.000 0.305 252 R C -1.556 174.746 176.300 0.004 0.000 0.959 252 R CA -0.741 55.395 56.100 0.060 0.000 0.864 252 R CB 1.456 31.775 30.300 0.032 0.000 1.159 252 R HN 0.492 nan 8.270 nan 0.000 0.446 253 L N 4.174 125.362 121.223 -0.058 0.000 2.262 253 L HA 0.392 4.752 4.340 0.035 0.000 0.288 253 L C -0.543 176.277 176.870 -0.083 0.000 1.035 253 L CA -0.823 53.962 54.840 -0.092 0.000 0.820 253 L CB 1.484 43.461 42.059 -0.138 0.000 1.204 253 L HN 0.261 nan 8.230 nan 0.000 0.424 254 V N 1.846 121.690 119.914 -0.116 0.000 2.435 254 V HA 0.373 4.513 4.120 0.035 0.000 0.290 254 V C 0.647 176.719 176.094 -0.037 0.000 1.030 254 V CA -0.671 61.571 62.300 -0.097 0.000 0.881 254 V CB 1.672 33.355 31.823 -0.234 0.000 0.983 254 V HN 0.832 nan 8.190 nan 0.000 0.445 255 T N 0.805 115.378 114.554 0.032 0.000 2.788 255 T HA 0.291 4.661 4.350 0.035 0.000 0.280 255 T C 0.929 175.717 174.700 0.145 0.000 0.984 255 T CA -0.385 61.751 62.100 0.061 0.000 0.972 255 T CB 1.158 70.051 68.868 0.042 0.000 1.039 255 T HN 0.597 nan 8.240 nan 0.000 0.530 256 E N 0.433 120.695 120.200 0.103 0.000 2.153 256 E HA -0.103 4.268 4.350 0.035 0.000 0.194 256 E C 1.694 178.301 176.600 0.012 0.000 0.988 256 E CA 1.627 58.081 56.400 0.090 0.000 0.811 256 E CB -0.265 29.456 29.700 0.035 0.000 0.746 256 E HN 0.930 nan 8.360 nan 0.000 0.466 257 D N -1.558 118.850 120.400 0.013 0.000 2.269 257 D HA -0.003 4.657 4.640 0.035 0.000 0.208 257 D C 1.135 177.428 176.300 -0.011 0.000 0.963 257 D CA 0.872 54.861 54.000 -0.019 0.000 0.864 257 D CB 0.135 40.930 40.800 -0.008 0.000 0.936 257 D HN 0.173 nan 8.370 nan 0.000 0.505 258 G N -0.304 108.537 108.800 0.068 0.000 2.145 258 G HA2 -0.232 3.749 3.960 0.035 0.000 0.176 258 G HA3 -0.232 3.749 3.960 0.035 0.000 0.176 258 G C -0.295 174.658 174.900 0.087 0.000 1.013 258 G CA -0.313 44.867 45.100 0.132 0.000 0.689 258 G HN 0.374 nan 8.290 nan 0.000 0.506 259 K N 1.187 121.623 120.400 0.060 0.000 2.183 259 K HA 0.631 4.972 4.320 0.035 0.000 0.274 259 K C 0.493 177.106 176.600 0.022 0.000 1.009 259 K CA 0.078 56.385 56.287 0.033 0.000 0.888 259 K CB 1.441 33.953 32.500 0.021 0.000 1.078 259 K HN 0.396 nan 8.250 nan 0.000 0.459 260 S N 2.421 118.128 115.700 0.012 0.000 2.578 260 S HA 0.562 5.053 4.470 0.035 0.000 0.301 260 S C -0.704 173.890 174.600 -0.009 0.000 1.091 260 S CA -1.032 57.165 58.200 -0.005 0.000 1.032 260 S CB 1.618 64.817 63.200 -0.003 0.000 1.064 260 S HN 0.318 nan 8.310 nan 0.000 0.508 261 K N 1.655 122.040 120.400 -0.024 0.000 2.482 261 K HA 0.394 4.734 4.320 0.035 0.000 0.251 261 K C -1.095 175.482 176.600 -0.039 0.000 0.936 261 K CA -0.439 55.830 56.287 -0.029 0.000 0.791 261 K CB 2.039 34.515 32.500 -0.040 0.000 1.213 261 K HN 0.704 nan 8.250 nan 0.000 0.428 262 L N 2.234 123.442 121.223 -0.026 0.000 2.416 262 L HA 0.288 4.648 4.340 0.035 0.000 0.272 262 L C 0.328 177.159 176.870 -0.066 0.000 1.161 262 L CA -0.340 54.485 54.840 -0.025 0.000 0.845 262 L CB 0.741 42.797 42.059 -0.005 0.000 1.119 262 L HN 0.197 nan 8.230 nan 0.000 0.464 263 V N 4.172 124.031 119.914 -0.091 0.000 2.841 263 V HA 0.515 4.656 4.120 0.035 0.000 0.310 263 V C -0.928 175.048 176.094 -0.198 0.000 1.090 263 V CA -0.761 61.405 62.300 -0.222 0.000 0.930 263 V CB 2.296 33.851 31.823 -0.447 0.000 1.014 263 V HN 0.626 nan 8.190 nan 0.000 0.425 264 K N 4.928 125.201 120.400 -0.212 0.000 2.323 264 K HA 0.401 4.741 4.320 0.035 0.000 0.259 264 K C -1.333 175.114 176.600 -0.255 0.000 0.947 264 K CA -0.165 56.047 56.287 -0.126 0.000 0.819 264 K CB 1.860 34.392 32.500 0.053 0.000 1.109 264 K HN 0.701 nan 8.250 nan 0.000 0.429 265 W N 2.493 123.738 121.300 -0.092 0.000 2.315 265 W HA 0.236 4.917 4.660 0.034 0.000 0.316 265 W C 0.762 176.992 176.519 -0.482 0.000 1.211 265 W CA -0.196 57.006 57.345 -0.237 0.000 1.201 265 W CB 0.749 30.065 29.460 -0.240 0.000 1.184 265 W HN 0.311 nan 8.180 nan 0.000 0.544 266 H N 1.404 120.421 119.070 -0.088 0.000 2.759 266 H HA 0.160 4.737 4.556 0.035 0.000 0.354 266 H C -1.553 173.519 175.328 -0.428 0.000 1.074 266 H CA -1.378 54.532 56.048 -0.231 0.000 1.226 266 H CB 1.255 30.963 29.762 -0.090 0.000 1.648 266 H HN 0.483 nan 8.280 nan 0.000 0.529 267 W N 3.474 124.621 121.300 -0.255 0.000 2.318 267 W HA 0.305 4.984 4.660 0.031 0.000 0.315 267 W C -0.171 176.339 176.519 -0.015 0.000 1.033 267 W CA -0.831 56.404 57.345 -0.183 0.000 1.275 267 W CB 1.166 30.243 29.460 -0.637 0.000 1.250 267 W HN 0.132 nan 8.180 nan 0.000 0.421 268 K N 2.743 123.368 120.400 0.375 0.000 2.263 268 K HA 0.243 4.583 4.320 0.035 0.000 0.272 268 K C 0.074 176.857 176.600 0.305 0.000 1.033 268 K CA -0.681 55.767 56.287 0.269 0.000 0.884 268 K CB 1.401 34.001 32.500 0.167 0.000 1.107 268 K HN 0.294 nan 8.250 nan 0.000 0.460 269 T N 2.414 117.097 114.554 0.214 0.000 2.916 269 T HA 0.066 4.437 4.350 0.035 0.000 0.303 269 T C 0.989 175.585 174.700 -0.174 0.000 1.025 269 T CA -0.053 61.967 62.100 -0.135 0.000 1.142 269 T CB 0.287 69.082 68.868 -0.123 0.000 0.947 269 T HN 0.297 nan 8.240 nan 0.000 0.544 270 K N 3.501 123.714 120.400 -0.312 0.000 2.400 270 K HA 0.060 4.401 4.320 0.035 0.000 0.194 270 K C 1.689 178.146 176.600 -0.238 0.000 1.033 270 K CA 0.541 56.708 56.287 -0.200 0.000 1.021 270 K CB 0.284 32.687 32.500 -0.162 0.000 0.808 270 K HN 0.603 nan 8.250 nan 0.000 0.505 271 Q N -0.120 119.458 119.800 -0.370 0.000 2.424 271 Q HA 0.146 4.507 4.340 0.035 0.000 0.204 271 Q C 0.338 176.190 176.000 -0.247 0.000 0.933 271 Q CA 0.397 55.970 55.803 -0.383 0.000 0.929 271 Q CB 0.661 28.977 28.738 -0.703 0.000 1.037 271 Q HN 0.380 nan 8.270 nan 0.000 0.511 272 G N 0.798 109.492 108.800 -0.177 0.000 2.705 272 G HA2 -0.222 3.758 3.960 0.035 0.000 0.686 272 G HA3 -0.222 3.758 3.960 0.035 0.000 0.686 272 G C -1.062 173.816 174.900 -0.037 0.000 1.285 272 G CA -0.864 44.191 45.100 -0.076 0.000 0.800 272 G HN 0.080 nan 8.290 nan 0.000 0.611 273 K N 0.288 120.668 120.400 -0.033 0.000 2.298 273 K HA 0.624 4.964 4.320 0.035 0.000 0.280 273 K C 0.440 176.930 176.600 -0.183 0.000 1.032 273 K CA 0.498 56.759 56.287 -0.045 0.000 0.958 273 K CB 1.338 33.829 32.500 -0.015 0.000 0.978 273 K HN 1.403 nan 8.250 nan 0.000 0.472 274 A N 1.418 124.086 122.820 -0.253 0.000 2.547 274 A HA 0.758 5.099 4.320 0.035 0.000 0.297 274 A C -1.678 175.688 177.584 -0.363 0.000 1.056 274 A CA -0.632 51.091 52.037 -0.523 0.000 0.688 274 A CB 1.842 20.218 19.000 -1.040 0.000 1.282 274 A HN 0.688 nan 8.150 nan 0.000 0.400 275 A N 1.264 123.892 122.820 -0.321 0.000 2.556 275 A HA 0.817 5.158 4.320 0.035 0.000 0.294 275 A C -0.832 176.847 177.584 0.159 0.000 1.091 275 A CA -0.551 51.420 52.037 -0.110 0.000 0.704 275 A CB 0.815 19.697 19.000 -0.197 0.000 1.300 275 A HN 0.964 nan 8.150 nan 0.000 0.406 276 L N 0.574 121.880 121.223 0.139 0.000 2.448 276 L HA 0.670 5.031 4.340 0.035 0.000 0.258 276 L C 0.461 177.319 176.870 -0.019 0.000 1.104 276 L CA -1.056 53.835 54.840 0.085 0.000 0.800 276 L CB 1.042 43.089 42.059 -0.021 0.000 1.241 276 L HN 0.668 nan 8.230 nan 0.000 0.472 277 V N -2.770 117.050 119.914 -0.157 0.000 2.997 277 V HA 0.156 4.297 4.120 0.035 0.000 0.311 277 V C 0.673 176.668 176.094 -0.165 0.000 1.066 277 V CA -0.582 61.557 62.300 -0.269 0.000 1.039 277 V CB 1.530 33.226 31.823 -0.211 0.000 1.081 277 V HN 0.951 nan 8.190 nan 0.000 0.467 278 W N 1.868 122.996 121.300 -0.287 0.000 2.379 278 W HA -0.105 4.576 4.660 0.034 0.000 0.307 278 W C 2.249 178.590 176.519 -0.296 0.000 1.200 278 W CA 1.817 59.001 57.345 -0.268 0.000 1.297 278 W CB 0.136 29.440 29.460 -0.259 0.000 1.140 278 W HN 0.950 nan 8.180 nan 0.000 0.507 279 E N 0.784 120.769 120.200 -0.359 0.000 2.209 279 E HA -0.319 4.052 4.350 0.035 0.000 0.196 279 E C 1.702 177.917 176.600 -0.642 0.000 0.993 279 E CA 1.836 57.995 56.400 -0.402 0.000 0.819 279 E CB -0.991 28.726 29.700 0.028 0.000 0.745 279 E HN 0.552 nan 8.360 nan 0.000 0.477 280 E N 1.215 120.798 120.200 -1.028 0.000 2.046 280 E HA -0.091 4.280 4.350 0.035 0.000 0.190 280 E C 2.153 178.162 176.600 -0.985 0.000 0.982 280 E CA 1.024 56.427 56.400 -1.660 0.000 0.800 280 E CB -0.129 28.655 29.700 -1.526 0.000 0.756 280 E HN 0.289 nan 8.360 nan 0.000 0.449 281 A N 0.902 123.296 122.820 -0.710 0.000 1.972 281 A HA -0.231 4.110 4.320 0.035 0.000 0.219 281 A C 2.083 179.299 177.584 -0.615 0.000 1.169 281 A CA 1.532 53.245 52.037 -0.541 0.000 0.635 281 A CB -0.495 18.336 19.000 -0.280 0.000 0.810 281 A HN 0.354 nan 8.150 nan 0.000 0.446 282 Q N -0.564 118.721 119.800 -0.858 0.000 2.084 282 Q HA -0.121 4.240 4.340 0.035 0.000 0.202 282 Q C 2.150 177.906 176.000 -0.406 0.000 0.978 282 Q CA 1.737 57.113 55.803 -0.712 0.000 0.844 282 Q CB -0.310 27.934 28.738 -0.822 0.000 0.898 282 Q HN 0.527 nan 8.270 nan 0.000 0.426 283 V N 0.902 120.587 119.914 -0.382 0.000 2.427 283 V HA -0.212 3.929 4.120 0.035 0.000 0.248 283 V C 2.104 178.056 176.094 -0.236 0.000 1.051 283 V CA 1.123 63.294 62.300 -0.216 0.000 1.048 283 V CB -0.430 31.348 31.823 -0.075 0.000 0.666 283 V HN 0.300 nan 8.190 nan 0.000 0.456 284 L N 1.132 122.134 121.223 -0.367 0.000 2.141 284 L HA 0.020 4.380 4.340 0.035 0.000 0.209 284 L C 2.419 179.117 176.870 -0.286 0.000 1.094 284 L CA 2.064 56.672 54.840 -0.386 0.000 0.763 284 L CB -0.996 40.708 42.059 -0.592 0.000 0.908 284 L HN 0.219 nan 8.230 nan 0.000 0.437 285 A N -0.758 121.910 122.820 -0.253 0.000 1.972 285 A HA -0.048 4.293 4.320 0.035 0.000 0.219 285 A C 2.265 179.783 177.584 -0.111 0.000 1.169 285 A CA 1.564 53.503 52.037 -0.163 0.000 0.635 285 A CB -1.234 17.680 19.000 -0.144 0.000 0.810 285 A HN 0.512 nan 8.150 nan 0.000 0.446 286 G N -0.980 107.753 108.800 -0.112 0.000 2.441 286 G HA2 -0.026 3.955 3.960 0.035 0.000 0.212 286 G HA3 -0.026 3.955 3.960 0.035 0.000 0.212 286 G C 1.598 176.461 174.900 -0.062 0.000 1.164 286 G CA 0.489 45.547 45.100 -0.070 0.000 0.811 286 G HN 0.341 nan 8.290 nan 0.000 0.535 287 K N 0.156 120.507 120.400 -0.081 0.000 2.057 287 K HA -0.022 4.319 4.320 0.035 0.000 0.206 287 K C 0.226 176.789 176.600 -0.063 0.000 1.050 287 K CA 0.612 56.860 56.287 -0.066 0.000 0.935 287 K CB -0.027 32.426 32.500 -0.078 0.000 0.715 287 K HN 0.291 nan 8.250 nan 0.000 0.439 288 N N -0.862 117.789 118.700 -0.082 0.000 2.701 288 N HA 0.198 4.959 4.740 0.035 0.000 0.258 288 N C -0.331 175.161 175.510 -0.031 0.000 1.262 288 N CA 0.059 53.088 53.050 -0.035 0.000 0.780 288 N CB 1.232 39.729 38.487 0.018 0.000 1.380 288 N HN -0.053 nan 8.380 nan 0.000 0.548 289 A N 1.697 124.500 122.820 -0.028 0.000 2.067 289 A HA -0.036 4.305 4.320 0.035 0.000 0.219 289 A C 0.817 178.402 177.584 0.001 0.000 1.158 289 A CA 1.048 53.070 52.037 -0.025 0.000 0.661 289 A CB 0.013 19.002 19.000 -0.019 0.000 0.801 289 A HN 0.637 nan 8.150 nan 0.000 0.452 290 D N -1.212 119.198 120.400 0.017 0.000 2.561 290 D HA 0.124 4.784 4.640 0.035 0.000 0.232 290 D C 0.631 176.956 176.300 0.042 0.000 1.198 290 D CA -0.183 53.830 54.000 0.022 0.000 0.826 290 D CB 0.004 40.797 40.800 -0.012 0.000 0.992 290 D HN 0.427 nan 8.370 nan 0.000 0.490 291 F N 1.213 121.078 119.950 -0.141 0.000 2.113 291 F HA -0.150 4.397 4.527 0.035 0.000 0.297 291 F C 2.030 177.768 175.800 -0.102 0.000 1.103 291 F CA 1.731 59.636 58.000 -0.157 0.000 1.248 291 F CB -0.098 38.749 39.000 -0.255 0.000 0.999 291 F HN 0.128 nan 8.300 nan 0.000 0.475 292 H N -0.559 118.381 119.070 -0.215 0.000 2.363 292 H HA -0.066 4.510 4.556 0.035 0.000 0.301 292 H C 2.291 177.379 175.328 -0.400 0.000 1.074 292 H CA 1.138 56.845 56.048 -0.568 0.000 1.354 292 H CB -0.090 29.116 29.762 -0.927 0.000 1.397 292 H HN 0.253 nan 8.280 nan 0.000 0.516 293 R N 1.019 121.556 120.500 0.062 0.000 2.115 293 R HA -0.100 4.261 4.340 0.035 0.000 0.226 293 R C 2.103 178.503 176.300 0.167 0.000 1.100 293 R CA 1.390 57.636 56.100 0.243 0.000 0.980 293 R CB -0.230 30.248 30.300 0.297 0.000 0.875 293 R HN 0.354 nan 8.270 nan 0.000 0.445 294 Q N 1.164 120.990 119.800 0.042 0.000 2.119 294 Q HA -0.207 4.154 4.340 0.035 0.000 0.201 294 Q C 1.352 177.377 176.000 0.041 0.000 0.972 294 Q CA 2.085 57.909 55.803 0.035 0.000 0.847 294 Q CB -0.041 28.679 28.738 -0.030 0.000 0.903 294 Q HN 0.513 nan 8.270 nan 0.000 0.433 295 D N -0.274 120.054 120.400 -0.121 0.000 2.097 295 D HA -0.213 4.448 4.640 0.035 0.000 0.195 295 D C 1.915 178.199 176.300 -0.026 0.000 0.989 295 D CA 1.118 55.020 54.000 -0.163 0.000 0.827 295 D CB -0.098 40.466 40.800 -0.393 0.000 0.966 295 D HN 0.262 nan 8.370 nan 0.000 0.456 296 L N 0.142 121.382 121.223 0.028 0.000 2.083 296 L HA -0.062 4.299 4.340 0.035 0.000 0.209 296 L C 1.939 178.904 176.870 0.159 0.000 1.083 296 L CA 1.518 56.419 54.840 0.102 0.000 0.752 296 L CB -0.807 41.381 42.059 0.215 0.000 0.899 296 L HN 0.405 nan 8.230 nan 0.000 0.433 297 W N 0.465 121.790 121.300 0.040 0.000 2.379 297 W HA -0.197 4.483 4.660 0.034 0.000 0.307 297 W C 1.846 178.382 176.519 0.029 0.000 1.200 297 W CA 1.707 59.084 57.345 0.052 0.000 1.297 297 W CB -0.135 29.363 29.460 0.063 0.000 1.140 297 W HN 0.261 nan 8.180 nan 0.000 0.507 298 D N 0.295 120.846 120.400 0.252 0.000 2.178 298 D HA -0.100 4.561 4.640 0.035 0.000 0.202 298 D C 2.279 178.600 176.300 0.035 0.000 0.974 298 D CA 1.613 55.699 54.000 0.143 0.000 0.841 298 D CB -0.633 40.241 40.800 0.123 0.000 0.953 298 D HN 0.140 nan 8.370 nan 0.000 0.478 299 A N 0.839 123.666 122.820 0.012 0.000 1.873 299 A HA -0.111 4.229 4.320 0.035 0.000 0.215 299 A C 2.346 179.900 177.584 -0.049 0.000 1.186 299 A CA 0.820 52.845 52.037 -0.020 0.000 0.616 299 A CB -0.635 18.345 19.000 -0.033 0.000 0.823 299 A HN 0.170 nan 8.150 nan 0.000 0.442 300 I N -0.914 119.608 120.570 -0.079 0.000 2.315 300 I HA -0.190 4.001 4.170 0.035 0.000 0.248 300 I C 2.527 178.553 176.117 -0.151 0.000 1.117 300 I CA 1.668 62.896 61.300 -0.120 0.000 1.404 300 I CB -0.254 37.646 38.000 -0.166 0.000 1.071 300 I HN 0.368 nan 8.210 nan 0.000 0.419 301 E N 1.210 121.295 120.200 -0.193 0.000 2.106 301 E HA -0.178 4.193 4.350 0.035 0.000 0.192 301 E C 2.194 178.757 176.600 -0.061 0.000 0.984 301 E CA 1.598 57.901 56.400 -0.161 0.000 0.806 301 E CB -0.049 29.563 29.700 -0.148 0.000 0.750 301 E HN 0.452 nan 8.360 nan 0.000 0.458 302 S N -1.484 114.197 115.700 -0.032 0.000 2.515 302 S HA 0.097 4.588 4.470 0.035 0.000 0.231 302 S C 1.659 176.249 174.600 -0.017 0.000 0.987 302 S CA 0.647 58.842 58.200 -0.008 0.000 0.936 302 S CB 0.002 63.207 63.200 0.008 0.000 0.766 302 S HN 0.501 nan 8.310 nan 0.000 0.528 303 G N 0.999 109.779 108.800 -0.034 0.000 2.159 303 G HA2 -0.222 3.759 3.960 0.035 0.000 0.227 303 G HA3 -0.222 3.759 3.960 0.035 0.000 0.227 303 G C -0.242 174.640 174.900 -0.029 0.000 0.986 303 G CA -0.123 44.959 45.100 -0.031 0.000 0.651 303 G HN 0.567 nan 8.290 nan 0.000 0.523 304 N N 1.400 120.080 118.700 -0.033 0.000 3.229 304 N HA 0.589 5.350 4.740 0.035 0.000 0.275 304 N C 0.400 175.876 175.510 -0.056 0.000 1.225 304 N CA 0.609 53.635 53.050 -0.040 0.000 1.119 304 N CB 1.017 39.484 38.487 -0.033 0.000 1.392 304 N HN 0.702 nan 8.380 nan 0.000 0.520 305 A N 2.142 124.932 122.820 -0.050 0.000 2.450 305 A HA 0.337 4.678 4.320 0.035 0.000 0.255 305 A C -1.845 175.689 177.584 -0.083 0.000 1.096 305 A CA -0.948 51.062 52.037 -0.046 0.000 0.778 305 A CB -0.016 18.973 19.000 -0.018 0.000 1.031 305 A HN 0.297 nan 8.150 nan 0.000 0.494 306 P HA 0.356 nan 4.420 nan 0.000 0.274 306 P C -0.522 176.608 177.300 -0.282 0.000 1.237 306 P CA -0.185 62.734 63.100 -0.303 0.000 0.793 306 P CB 1.188 32.665 31.700 -0.371 0.000 0.977 307 S N 0.462 115.849 115.700 -0.522 0.000 2.549 307 S HA 0.588 5.079 4.470 0.035 0.000 0.280 307 S C -1.287 173.089 174.600 -0.372 0.000 1.109 307 S CA -0.498 57.574 58.200 -0.213 0.000 0.905 307 S CB 1.329 64.492 63.200 -0.062 0.000 1.081 307 S HN 0.441 nan 8.310 nan 0.000 0.477 308 W N 1.189 122.596 121.300 0.178 0.000 2.915 308 W HA 0.406 5.089 4.660 0.037 0.000 0.337 308 W C -0.463 176.309 176.519 0.422 0.000 1.102 308 W CA -0.580 56.946 57.345 0.302 0.000 1.224 308 W CB 1.477 31.159 29.460 0.371 0.000 1.416 308 W HN 0.585 nan 8.180 nan 0.000 0.503 309 E N 2.069 122.611 120.200 0.569 0.000 2.174 309 E HA 0.210 4.581 4.350 0.035 0.000 0.282 309 E C -0.753 176.076 176.600 0.382 0.000 0.992 309 E CA -1.007 55.660 56.400 0.444 0.000 0.803 309 E CB 2.140 32.034 29.700 0.324 0.000 1.090 309 E HN 0.101 nan 8.360 nan 0.000 0.396 310 L N 3.462 124.843 121.223 0.265 0.000 2.315 310 L HA 0.364 4.725 4.340 0.035 0.000 0.283 310 L C -0.720 176.129 176.870 -0.034 0.000 1.089 310 L CA 0.221 54.974 54.840 -0.145 0.000 0.833 310 L CB 0.254 42.239 42.059 -0.123 0.000 1.170 310 L HN 0.578 nan 8.230 nan 0.000 0.442 311 A N 4.854 127.634 122.820 -0.067 0.000 2.384 311 A HA 0.901 5.242 4.320 0.035 0.000 0.312 311 A C -1.089 176.479 177.584 -0.028 0.000 1.113 311 A CA -0.134 51.886 52.037 -0.029 0.000 0.779 311 A CB 1.879 20.881 19.000 0.002 0.000 1.307 311 A HN 1.034 nan 8.150 nan 0.000 0.436 312 V N -1.332 118.524 119.914 -0.097 0.000 2.971 312 V HA 0.661 4.801 4.120 0.035 0.000 0.309 312 V C -1.016 175.020 176.094 -0.096 0.000 1.130 312 V CA -0.771 61.444 62.300 -0.142 0.000 0.964 312 V CB 1.499 33.082 31.823 -0.400 0.000 1.029 312 V HN 0.870 nan 8.190 nan 0.000 0.427 313 Q N 3.125 122.901 119.800 -0.040 0.000 2.372 313 Q HA 0.634 4.994 4.340 0.035 0.000 0.259 313 Q C -1.191 174.764 176.000 -0.076 0.000 0.993 313 Q CA -0.416 55.368 55.803 -0.032 0.000 0.854 313 Q CB 2.164 30.933 28.738 0.052 0.000 1.231 313 Q HN 0.729 nan 8.270 nan 0.000 0.462 314 L N 4.457 125.636 121.223 -0.072 0.000 2.265 314 L HA 0.448 4.809 4.340 0.035 0.000 0.288 314 L C -0.662 176.197 176.870 -0.018 0.000 1.058 314 L CA -0.484 54.316 54.840 -0.066 0.000 0.809 314 L CB 0.540 42.563 42.059 -0.060 0.000 1.179 314 L HN 0.472 nan 8.230 nan 0.000 0.429 315 I N 2.097 122.662 120.570 -0.008 0.000 2.569 315 I HA 0.309 4.500 4.170 0.035 0.000 0.296 315 I C 0.017 176.156 176.117 0.036 0.000 1.028 315 I CA -0.538 60.788 61.300 0.043 0.000 1.082 315 I CB 1.645 39.682 38.000 0.062 0.000 1.264 315 I HN 0.411 nan 8.210 nan 0.000 0.429 316 D N 4.105 124.537 120.400 0.053 0.000 2.357 316 D HA 0.062 4.722 4.640 0.035 0.000 0.242 316 D C 0.975 177.281 176.300 0.010 0.000 1.153 316 D CA -0.098 53.916 54.000 0.023 0.000 0.918 316 D CB 1.080 41.890 40.800 0.017 0.000 1.181 316 D HN 0.468 nan 8.370 nan 0.000 0.435 317 E N 0.670 120.870 120.200 -0.001 0.000 2.150 317 E HA -0.147 4.223 4.350 0.035 0.000 0.193 317 E C 1.132 177.719 176.600 -0.022 0.000 0.985 317 E CA 0.917 57.313 56.400 -0.007 0.000 0.814 317 E CB -0.007 29.692 29.700 -0.003 0.000 0.752 317 E HN 0.519 nan 8.360 nan 0.000 0.466 318 D N -0.002 120.380 120.400 -0.030 0.000 2.349 318 D HA -0.077 4.584 4.640 0.035 0.000 0.224 318 D C 0.761 177.006 176.300 -0.092 0.000 1.029 318 D CA 0.341 54.310 54.000 -0.052 0.000 0.879 318 D CB 0.009 40.781 40.800 -0.046 0.000 0.906 318 D HN -0.088 nan 8.370 nan 0.000 0.528 319 K N 0.483 120.830 120.400 -0.088 0.000 2.681 319 K HA 0.404 4.744 4.320 0.035 0.000 0.211 319 K C 1.016 177.539 176.600 -0.130 0.000 1.075 319 K CA -0.084 56.100 56.287 -0.171 0.000 1.141 319 K CB 0.937 33.371 32.500 -0.109 0.000 0.896 319 K HN 0.164 nan 8.250 nan 0.000 0.470 320 A N 0.750 123.505 122.820 -0.107 0.000 1.929 320 A HA -0.100 4.241 4.320 0.035 0.000 0.216 320 A C 1.400 178.877 177.584 -0.179 0.000 1.176 320 A CA 1.054 53.035 52.037 -0.094 0.000 0.628 320 A CB 0.080 19.046 19.000 -0.057 0.000 0.816 320 A HN 0.359 nan 8.150 nan 0.000 0.444 321 Q N -1.328 118.347 119.800 -0.208 0.000 2.182 321 Q HA 0.491 4.852 4.340 0.035 0.000 0.270 321 Q C 0.548 176.358 176.000 -0.318 0.000 0.861 321 Q CA 0.272 55.928 55.803 -0.245 0.000 1.098 321 Q CB 0.793 29.445 28.738 -0.143 0.000 1.188 321 Q HN 0.515 nan 8.270 nan 0.000 0.464 322 A N -0.404 122.133 122.820 -0.472 0.000 2.390 322 A HA 0.183 4.523 4.320 0.035 0.000 0.232 322 A C 0.280 177.366 177.584 -0.831 0.000 1.233 322 A CA 0.025 51.694 52.037 -0.612 0.000 0.907 322 A CB 0.100 18.688 19.000 -0.687 0.000 0.967 322 A HN 0.388 nan 8.150 nan 0.000 0.512 323 Y N -0.903 119.081 120.300 -0.528 0.000 2.720 323 Y HA 0.410 4.980 4.550 0.034 0.000 0.268 323 Y C 1.574 177.193 175.900 -0.469 0.000 1.142 323 Y CA 0.180 57.853 58.100 -0.712 0.000 1.193 323 Y CB 0.578 38.518 38.460 -0.867 0.000 1.176 323 Y HN 0.375 nan 8.280 nan 0.000 0.542 324 G N 0.554 109.232 108.800 -0.202 0.000 2.179 324 G HA2 -0.320 3.661 3.960 0.035 0.000 0.260 324 G HA3 -0.320 3.661 3.960 0.035 0.000 0.260 324 G C -0.179 174.785 174.900 0.107 0.000 0.977 324 G CA 0.514 45.602 45.100 -0.020 0.000 0.641 324 G HN 0.483 nan 8.290 nan 0.000 0.533 325 F N -1.927 117.951 119.950 -0.120 0.000 2.831 325 F HA 0.754 5.301 4.527 0.034 0.000 0.318 325 F C -1.209 174.517 175.800 -0.123 0.000 1.174 325 F CA -1.652 56.267 58.000 -0.133 0.000 0.918 325 F CB 0.713 39.613 39.000 -0.166 0.000 1.364 325 F HN -0.042 nan 8.300 nan 0.000 0.475 326 D N 1.347 121.720 120.400 -0.044 0.000 2.232 326 D HA 0.327 4.987 4.640 0.035 0.000 0.242 326 D C 0.662 176.912 176.300 -0.083 0.000 1.093 326 D CA -0.177 53.732 54.000 -0.152 0.000 0.845 326 D CB 1.724 42.429 40.800 -0.158 0.000 1.124 326 D HN 0.741 nan 8.370 nan 0.000 0.467 327 L N 3.406 124.542 121.223 -0.144 0.000 2.376 327 L HA -0.046 4.315 4.340 0.035 0.000 0.219 327 L C 2.076 178.962 176.870 0.026 0.000 1.133 327 L CA 0.454 55.284 54.840 -0.017 0.000 0.816 327 L CB 0.028 42.056 42.059 -0.052 0.000 0.933 327 L HN 0.446 nan 8.230 nan 0.000 0.449 328 L N -1.140 120.087 121.223 0.008 0.000 2.478 328 L HA -0.040 4.321 4.340 0.035 0.000 0.223 328 L C 0.690 177.584 176.870 0.039 0.000 1.140 328 L CA 0.096 54.981 54.840 0.076 0.000 0.842 328 L CB -0.291 41.889 42.059 0.201 0.000 0.953 328 L HN 0.134 nan 8.230 nan 0.000 0.452 329 D N 1.315 121.552 120.400 -0.272 0.000 2.339 329 D HA 0.056 4.716 4.640 0.035 0.000 0.256 329 D C -1.507 174.752 176.300 -0.070 0.000 1.214 329 D CA -1.940 51.775 54.000 -0.476 0.000 0.877 329 D CB 1.504 41.828 40.800 -0.792 0.000 1.111 329 D HN -0.026 nan 8.370 nan 0.000 0.478 330 P HA -0.045 nan 4.420 nan 0.000 0.236 330 P C 0.958 178.299 177.300 0.068 0.000 1.177 330 P CA 0.615 63.787 63.100 0.120 0.000 0.773 330 P CB -0.000 31.849 31.700 0.249 0.000 0.878 331 T N -3.908 110.679 114.554 0.055 0.000 3.148 331 T HA 0.090 4.460 4.350 0.035 0.000 0.253 331 T C 0.781 175.507 174.700 0.043 0.000 1.134 331 T CA 0.175 62.308 62.100 0.055 0.000 1.051 331 T CB -0.303 68.614 68.868 0.081 0.000 0.959 331 T HN -0.070 nan 8.240 nan 0.000 0.525 332 K N 1.638 121.986 120.400 -0.087 0.000 2.203 332 K HA 0.560 4.901 4.320 0.035 0.000 0.251 332 K C -0.750 175.727 176.600 -0.206 0.000 0.944 332 K CA -0.926 55.174 56.287 -0.313 0.000 0.829 332 K CB 1.748 33.836 32.500 -0.687 0.000 1.125 332 K HN 0.395 nan 8.250 nan 0.000 0.430 333 F N -0.394 119.395 119.950 -0.269 0.000 2.538 333 F HA 0.562 5.109 4.527 0.034 0.000 0.325 333 F C -0.573 175.154 175.800 -0.122 0.000 1.066 333 F CA -1.637 56.273 58.000 -0.150 0.000 0.946 333 F CB 0.709 39.641 39.000 -0.114 0.000 1.199 333 F HN 0.216 nan 8.300 nan 0.000 0.473 334 L N 5.014 126.437 121.223 0.333 0.000 2.283 334 L HA 0.562 4.923 4.340 0.035 0.000 0.287 334 L C -2.476 174.662 176.870 0.447 0.000 1.073 334 L CA -2.346 52.724 54.840 0.384 0.000 0.822 334 L CB 0.148 42.376 42.059 0.282 0.000 1.186 334 L HN 0.439 nan 8.230 nan 0.000 0.436 335 P HA 0.038 nan 4.420 nan 0.000 0.266 335 P C 0.005 177.484 177.300 0.299 0.000 1.195 335 P CA 0.134 63.513 63.100 0.464 0.000 0.768 335 P CB 0.488 32.441 31.700 0.422 0.000 0.838 336 E N 1.220 121.542 120.200 0.203 0.000 2.409 336 E HA -0.179 4.192 4.350 0.035 0.000 0.198 336 E C 1.116 177.736 176.600 0.034 0.000 1.024 336 E CA 0.819 57.275 56.400 0.094 0.000 0.861 336 E CB -0.020 29.715 29.700 0.058 0.000 0.788 336 E HN 0.527 nan 8.360 nan 0.000 0.521 337 E N 0.083 120.269 120.200 -0.024 0.000 2.110 337 E HA -0.151 4.220 4.350 0.035 0.000 0.193 337 E C 1.358 177.841 176.600 -0.196 0.000 0.988 337 E CA 1.046 57.348 56.400 -0.163 0.000 0.804 337 E CB -0.138 29.374 29.700 -0.313 0.000 0.745 337 E HN 0.302 nan 8.360 nan 0.000 0.458 338 F N -0.178 119.789 119.950 0.028 0.000 2.293 338 F HA 0.164 4.711 4.527 0.034 0.000 0.297 338 F C 0.753 176.515 175.800 -0.063 0.000 1.089 338 F CA 0.491 58.486 58.000 -0.007 0.000 1.377 338 F CB 0.377 39.290 39.000 -0.145 0.000 1.051 338 F HN -0.113 nan 8.300 nan 0.000 0.511 339 A N 0.699 123.571 122.820 0.086 0.000 2.599 339 A HA 0.450 4.791 4.320 0.035 0.000 0.281 339 A C -2.718 174.876 177.584 0.016 0.000 1.137 339 A CA -1.329 50.724 52.037 0.027 0.000 0.767 339 A CB 0.249 19.224 19.000 -0.041 0.000 1.266 339 A HN -0.190 nan 8.150 nan 0.000 0.420 340 P HA 0.373 nan 4.420 nan 0.000 0.274 340 P C -0.310 176.972 177.300 -0.031 0.000 1.237 340 P CA -0.212 62.884 63.100 -0.008 0.000 0.793 340 P CB 0.774 32.476 31.700 0.004 0.000 0.977 341 L N 1.550 122.738 121.223 -0.058 0.000 2.380 341 L HA 0.190 4.551 4.340 0.035 0.000 0.273 341 L C 1.037 177.884 176.870 -0.038 0.000 1.138 341 L CA 0.089 54.879 54.840 -0.083 0.000 0.832 341 L CB -0.240 41.746 42.059 -0.123 0.000 1.124 341 L HN 0.277 nan 8.230 nan 0.000 0.454 342 Q N 2.625 122.393 119.800 -0.054 0.000 2.368 342 Q HA 0.337 4.697 4.340 0.035 0.000 0.263 342 Q C -0.971 174.989 176.000 -0.066 0.000 1.009 342 Q CA -0.659 55.123 55.803 -0.036 0.000 0.818 342 Q CB 2.391 31.091 28.738 -0.063 0.000 1.239 342 Q HN 0.400 nan 8.270 nan 0.000 0.464 343 V N 5.168 125.112 119.914 0.050 0.000 2.446 343 V HA -0.012 4.129 4.120 0.035 0.000 0.276 343 V C 1.143 177.336 176.094 0.164 0.000 1.030 343 V CA 0.506 62.885 62.300 0.132 0.000 1.033 343 V CB 0.293 32.262 31.823 0.242 0.000 0.993 343 V HN 0.825 nan 8.190 nan 0.000 0.477 344 L N 4.032 125.250 121.223 -0.009 0.000 2.221 344 L HA 0.471 4.831 4.340 0.035 0.000 0.202 344 L C 1.185 178.197 176.870 0.236 0.000 1.074 344 L CA 1.075 55.804 54.840 -0.185 0.000 0.795 344 L CB -0.086 41.702 42.059 -0.453 0.000 0.960 344 L HN 0.809 nan 8.230 nan 0.000 0.458 345 G N -0.928 107.931 108.800 0.097 0.000 2.489 345 G HA2 0.353 4.334 3.960 0.035 0.000 0.305 345 G HA3 0.353 4.334 3.960 0.035 0.000 0.305 345 G C -1.997 172.656 174.900 -0.412 0.000 1.311 345 G CA -0.405 44.393 45.100 -0.504 0.000 0.813 345 G HN -0.099 nan 8.290 nan 0.000 0.480 346 E N -0.595 119.206 120.200 -0.665 0.000 2.266 346 E HA 0.627 4.998 4.350 0.035 0.000 0.268 346 E C -0.947 175.722 176.600 0.115 0.000 0.879 346 E CA -0.760 55.586 56.400 -0.089 0.000 0.762 346 E CB 2.120 31.765 29.700 -0.092 0.000 1.199 346 E HN 0.552 nan 8.360 nan 0.000 0.422 347 M N 2.421 122.324 119.600 0.505 0.000 2.508 347 M HA 0.478 4.979 4.480 0.035 0.000 0.327 347 M C -1.516 175.003 176.300 0.365 0.000 1.160 347 M CA -0.202 55.412 55.300 0.524 0.000 0.980 347 M CB 2.104 35.060 32.600 0.595 0.000 1.693 347 M HN 0.450 nan 8.290 nan 0.000 0.452 348 T N 5.159 119.871 114.554 0.263 0.000 2.991 348 T HA 0.455 4.825 4.350 0.035 0.000 0.303 348 T C -0.896 173.900 174.700 0.160 0.000 1.015 348 T CA -0.615 61.602 62.100 0.196 0.000 1.007 348 T CB 1.136 70.074 68.868 0.115 0.000 1.034 348 T HN 0.598 nan 8.240 nan 0.000 0.446 349 L N 4.548 125.874 121.223 0.173 0.000 2.255 349 L HA 0.434 4.795 4.340 0.035 0.000 0.289 349 L C 0.676 177.578 176.870 0.053 0.000 1.046 349 L CA -0.666 54.236 54.840 0.104 0.000 0.816 349 L CB 0.357 42.494 42.059 0.131 0.000 1.197 349 L HN 0.698 nan 8.230 nan 0.000 0.427 350 N N 1.443 120.163 118.700 0.032 0.000 2.143 350 N HA 0.074 4.834 4.740 0.035 0.000 0.222 350 N C -0.033 175.458 175.510 -0.030 0.000 1.264 350 N CA -0.391 52.658 53.050 -0.002 0.000 0.897 350 N CB 0.713 39.205 38.487 0.008 0.000 1.092 350 N HN 0.301 nan 8.380 nan 0.000 0.516 351 R N 0.949 121.442 120.500 -0.011 0.000 2.483 351 R HA 0.378 4.739 4.340 0.035 0.000 0.303 351 R C -0.893 175.400 176.300 -0.011 0.000 0.987 351 R CA -0.478 55.604 56.100 -0.030 0.000 0.881 351 R CB 1.043 31.337 30.300 -0.011 0.000 1.177 351 R HN 0.075 nan 8.270 nan 0.000 0.451 352 N N 3.500 122.108 118.700 -0.154 0.000 2.503 352 N HA 0.313 5.074 4.740 0.035 0.000 0.267 352 N C -2.131 173.414 175.510 0.058 0.000 1.214 352 N CA -1.326 51.613 53.050 -0.184 0.000 0.959 352 N CB 0.572 38.519 38.487 -0.901 0.000 1.142 352 N HN 0.262 nan 8.380 nan 0.000 0.455 353 P HA 0.146 nan 4.420 nan 0.000 0.274 353 P C 0.622 178.119 177.300 0.329 0.000 1.231 353 P CA -0.258 63.054 63.100 0.353 0.000 0.790 353 P CB 0.948 32.913 31.700 0.440 0.000 0.951 354 M N 0.185 119.921 119.600 0.227 0.000 2.193 354 M HA 0.004 4.505 4.480 0.035 0.000 0.265 354 M C 0.959 177.405 176.300 0.243 0.000 1.071 354 M CA 1.355 56.782 55.300 0.212 0.000 1.140 354 M CB -0.697 31.976 32.600 0.123 0.000 1.369 354 M HN 0.451 nan 8.290 nan 0.000 0.423 355 N N -0.615 118.224 118.700 0.232 0.000 2.399 355 N HA 0.060 4.821 4.740 0.035 0.000 0.280 355 N C -0.067 175.619 175.510 0.294 0.000 1.008 355 N CA -0.102 53.097 53.050 0.249 0.000 0.894 355 N CB 1.856 40.467 38.487 0.207 0.000 1.273 355 N HN 0.030 nan 8.380 nan 0.000 0.486 356 Y N 4.534 124.963 120.300 0.214 0.000 2.145 356 Y HA -0.209 4.363 4.550 0.037 0.000 0.286 356 Y C 1.737 177.756 175.900 0.199 0.000 1.145 356 Y CA 1.690 59.918 58.100 0.213 0.000 1.148 356 Y CB -0.117 38.446 38.460 0.171 0.000 0.981 356 Y HN 0.685 nan 8.280 nan 0.000 0.507 357 F N 0.429 120.550 119.950 0.284 0.000 2.084 357 F HA -0.139 4.410 4.527 0.037 0.000 0.296 357 F C 2.361 178.197 175.800 0.060 0.000 1.111 357 F CA 1.753 59.857 58.000 0.174 0.000 1.224 357 F CB -0.823 38.279 39.000 0.170 0.000 0.991 357 F HN 0.066 nan 8.300 nan 0.000 0.471 358 A N -0.497 122.475 122.820 0.252 0.000 1.972 358 A HA -0.154 4.187 4.320 0.035 0.000 0.219 358 A C 2.011 179.557 177.584 -0.064 0.000 1.169 358 A CA 2.064 54.171 52.037 0.117 0.000 0.635 358 A CB -0.599 18.508 19.000 0.178 0.000 0.810 358 A HN 0.597 nan 8.150 nan 0.000 0.446 359 E N -1.917 118.237 120.200 -0.077 0.000 2.121 359 E HA 0.003 4.374 4.350 0.035 0.000 0.194 359 E C 2.097 178.477 176.600 -0.365 0.000 0.940 359 E CA 0.915 57.201 56.400 -0.190 0.000 0.884 359 E CB -0.022 29.675 29.700 -0.006 0.000 0.874 359 E HN 0.443 nan 8.360 nan 0.000 0.471 360 T N 1.069 115.448 114.554 -0.291 0.000 2.770 360 T HA -0.134 4.237 4.350 0.035 0.000 0.263 360 T C 1.816 176.303 174.700 -0.354 0.000 1.039 360 T CA 1.496 63.416 62.100 -0.300 0.000 1.142 360 T CB -0.145 68.385 68.868 -0.563 0.000 0.868 360 T HN 0.021 nan 8.240 nan 0.000 0.435 361 E N 1.320 121.251 120.200 -0.448 0.000 2.106 361 E HA -0.064 4.307 4.350 0.035 0.000 0.192 361 E C 2.189 178.584 176.600 -0.341 0.000 0.984 361 E CA 1.216 57.423 56.400 -0.322 0.000 0.806 361 E CB -0.129 29.401 29.700 -0.284 0.000 0.750 361 E HN 0.468 nan 8.360 nan 0.000 0.458 362 Q N -0.322 119.239 119.800 -0.398 0.000 2.389 362 Q HA 0.124 4.484 4.340 0.035 0.000 0.204 362 Q C 0.515 176.438 176.000 -0.128 0.000 0.944 362 Q CA -0.134 55.524 55.803 -0.240 0.000 0.908 362 Q CB 0.189 28.779 28.738 -0.246 0.000 1.002 362 Q HN 0.361 nan 8.270 nan 0.000 0.493 363 I N 1.072 121.488 120.570 -0.256 0.000 2.752 363 I HA -0.082 4.109 4.170 0.035 0.000 0.287 363 I C -0.596 175.377 176.117 -0.240 0.000 1.188 363 I CA 0.620 61.712 61.300 -0.347 0.000 1.427 363 I CB 0.713 38.363 38.000 -0.582 0.000 1.365 363 I HN -0.114 nan 8.210 nan 0.000 0.585 364 S N 7.561 123.090 115.700 -0.286 0.000 2.406 364 S HA 0.401 4.892 4.470 0.035 0.000 0.224 364 S C -0.544 173.961 174.600 -0.158 0.000 1.426 364 S CA -0.466 57.648 58.200 -0.143 0.000 1.179 364 S CB 0.071 63.204 63.200 -0.113 0.000 1.042 364 S HN 0.383 nan 8.310 nan 0.000 0.479 365 F N 2.368 122.288 119.950 -0.050 0.000 2.459 365 F HA 0.336 4.885 4.527 0.036 0.000 0.346 365 F C 1.147 176.865 175.800 -0.138 0.000 1.128 365 F CA 0.199 58.148 58.000 -0.086 0.000 1.268 365 F CB 0.601 39.524 39.000 -0.128 0.000 1.161 365 F HN 0.309 nan 8.300 nan 0.000 0.583 366 Q N 3.569 123.266 119.800 -0.171 0.000 2.284 366 Q HA 0.215 4.575 4.340 0.035 0.000 0.269 366 Q C -2.147 173.591 176.000 -0.436 0.000 1.026 366 Q CA -1.796 53.743 55.803 -0.440 0.000 0.831 366 Q CB 2.503 30.782 28.738 -0.764 0.000 1.322 366 Q HN 0.230 nan 8.270 nan 0.000 0.419 367 P HA -0.117 nan 4.420 nan 0.000 0.222 367 P C 1.108 178.408 177.300 -0.001 0.000 1.147 367 P CA 1.066 64.013 63.100 -0.254 0.000 0.790 367 P CB 0.223 31.755 31.700 -0.279 0.000 0.780 368 G N -1.453 107.291 108.800 -0.093 0.000 2.534 368 G HA2 -0.173 3.807 3.960 0.035 0.000 0.217 368 G HA3 -0.173 3.807 3.960 0.035 0.000 0.217 368 G C 0.328 175.305 174.900 0.129 0.000 1.128 368 G CA 0.060 45.193 45.100 0.055 0.000 0.784 368 G HN 0.394 nan 8.290 nan 0.000 0.542 369 H N 0.105 119.187 119.070 0.020 0.000 3.356 369 H HA 0.335 4.904 4.556 0.022 0.000 0.260 369 H C -0.309 175.054 175.328 0.059 0.000 1.570 369 H CA -0.552 55.493 56.048 -0.004 0.000 1.547 369 H CB 0.227 29.939 29.762 -0.082 0.000 1.774 369 H HN 0.173 nan 8.280 nan 0.000 0.542 370 I N 3.040 123.728 120.570 0.196 0.000 2.693 370 I HA 0.387 4.577 4.170 0.035 0.000 0.303 370 I C -0.359 175.827 176.117 0.114 0.000 1.025 370 I CA -1.064 60.341 61.300 0.176 0.000 1.086 370 I CB 1.324 39.296 38.000 -0.047 0.000 1.268 370 I HN 0.246 nan 8.210 nan 0.000 0.440 371 V N 3.457 123.432 119.914 0.101 0.000 3.158 371 V HA 0.588 4.728 4.120 0.035 0.000 0.315 371 V C -0.079 176.089 176.094 0.123 0.000 1.148 371 V CA -1.095 61.260 62.300 0.091 0.000 1.042 371 V CB 1.523 33.340 31.823 -0.010 0.000 1.101 371 V HN 0.875 nan 8.190 nan 0.000 0.448 372 R N 0.423 120.991 120.500 0.114 0.000 2.502 372 R HA 0.418 4.779 4.340 0.035 0.000 0.292 372 R C 1.121 177.346 176.300 -0.126 0.000 0.998 372 R CA 1.431 57.515 56.100 -0.027 0.000 1.056 372 R CB -0.008 30.329 30.300 0.063 0.000 0.939 372 R HN 1.846 nan 8.270 nan 0.000 0.411 373 G N 2.303 110.940 108.800 -0.272 0.000 2.253 373 G HA2 -0.222 3.758 3.960 0.035 0.000 0.209 373 G HA3 -0.222 3.758 3.960 0.035 0.000 0.209 373 G C -0.494 174.265 174.900 -0.236 0.000 0.997 373 G CA -0.057 44.911 45.100 -0.219 0.000 0.640 373 G HN 0.555 nan 8.290 nan 0.000 0.496 374 V N 0.645 120.411 119.914 -0.248 0.000 2.864 374 V HA 0.846 4.987 4.120 0.035 0.000 0.314 374 V C -0.546 175.439 176.094 -0.180 0.000 1.073 374 V CA -0.442 61.754 62.300 -0.173 0.000 0.956 374 V CB 2.029 33.736 31.823 -0.192 0.000 1.023 374 V HN 0.325 nan 8.190 nan 0.000 0.435 375 D N 0.218 120.539 120.400 -0.131 0.000 2.602 375 D HA 0.536 5.196 4.640 0.035 0.000 0.236 375 D C -1.013 175.254 176.300 -0.055 0.000 1.209 375 D CA -0.436 53.460 54.000 -0.173 0.000 0.831 375 D CB 1.873 42.591 40.800 -0.137 0.000 1.478 375 D HN 0.200 nan 8.370 nan 0.000 0.438 376 F N -0.028 120.085 119.950 0.272 0.000 2.368 376 F HA 0.485 5.022 4.527 0.016 0.000 0.308 376 F C 1.598 177.450 175.800 0.086 0.000 1.198 376 F CA -0.226 57.903 58.000 0.215 0.000 1.130 376 F CB 0.948 40.033 39.000 0.141 0.000 1.300 376 F HN 0.232 nan 8.300 nan 0.000 0.537 377 T N -3.081 111.587 114.554 0.189 0.000 2.773 377 T HA 0.403 4.774 4.350 0.035 0.000 0.278 377 T C -0.127 174.593 174.700 0.033 0.000 1.011 377 T CA -0.784 61.359 62.100 0.072 0.000 1.014 377 T CB 1.441 70.308 68.868 -0.002 0.000 1.293 377 T HN 0.438 nan 8.240 nan 0.000 0.554 378 E N 0.748 120.963 120.200 0.024 0.000 2.368 378 E HA 0.187 4.558 4.350 0.035 0.000 0.188 378 E C -0.367 176.246 176.600 0.022 0.000 1.061 378 E CA -0.190 56.221 56.400 0.018 0.000 0.933 378 E CB -0.137 29.582 29.700 0.032 0.000 1.091 378 E HN 0.523 nan 8.360 nan 0.000 0.458 379 D N 0.775 121.168 120.400 -0.011 0.000 2.412 379 D HA -0.029 4.632 4.640 0.035 0.000 0.257 379 D C -1.658 174.620 176.300 -0.037 0.000 1.217 379 D CA -1.883 52.123 54.000 0.011 0.000 0.897 379 D CB 1.214 41.955 40.800 -0.098 0.000 1.132 379 D HN -0.031 nan 8.370 nan 0.000 0.493 380 P HA -0.120 nan 4.420 nan 0.000 0.220 380 P C 1.469 178.765 177.300 -0.007 0.000 1.148 380 P CA 0.305 63.403 63.100 -0.004 0.000 0.803 380 P CB 0.262 31.960 31.700 -0.004 0.000 0.782 381 L N -0.929 120.312 121.223 0.030 0.000 2.072 381 L HA -0.063 4.298 4.340 0.035 0.000 0.205 381 L C 2.113 178.897 176.870 -0.144 0.000 1.079 381 L CA 1.541 56.404 54.840 0.038 0.000 0.752 381 L CB -1.414 40.773 42.059 0.213 0.000 0.906 381 L HN -0.129 nan 8.230 nan 0.000 0.436 382 L N -0.800 120.151 121.223 -0.453 0.000 2.093 382 L HA -0.176 4.184 4.340 0.035 0.000 0.208 382 L C 2.444 179.129 176.870 -0.307 0.000 1.085 382 L CA 1.648 56.113 54.840 -0.626 0.000 0.755 382 L CB -0.833 40.661 42.059 -0.942 0.000 0.904 382 L HN 0.347 nan 8.230 nan 0.000 0.435 383 Q N -0.212 119.450 119.800 -0.231 0.000 2.096 383 Q HA -0.141 4.219 4.340 0.035 0.000 0.204 383 Q C 2.092 178.014 176.000 -0.130 0.000 0.982 383 Q CA 1.732 57.426 55.803 -0.183 0.000 0.850 383 Q CB -0.799 27.864 28.738 -0.124 0.000 0.901 383 Q HN 0.672 nan 8.270 nan 0.000 0.422 384 G N 0.421 109.171 108.800 -0.084 0.000 2.464 384 G HA2 -0.193 3.788 3.960 0.035 0.000 0.217 384 G HA3 -0.193 3.788 3.960 0.035 0.000 0.217 384 G C 1.544 176.458 174.900 0.024 0.000 1.138 384 G CA 0.100 45.188 45.100 -0.020 0.000 0.793 384 G HN 0.236 nan 8.290 nan 0.000 0.539 385 R N -0.117 120.365 120.500 -0.030 0.000 2.081 385 R HA 0.038 4.398 4.340 0.035 0.000 0.235 385 R C 2.529 178.861 176.300 0.052 0.000 1.131 385 R CA 0.909 57.033 56.100 0.040 0.000 0.960 385 R CB -0.494 29.776 30.300 -0.050 0.000 0.856 385 R HN 0.322 nan 8.270 nan 0.000 0.436 386 L N -0.486 120.689 121.223 -0.080 0.000 2.043 386 L HA -0.269 4.092 4.340 0.035 0.000 0.212 386 L C 2.467 179.329 176.870 -0.012 0.000 1.075 386 L CA 1.583 56.349 54.840 -0.124 0.000 0.752 386 L CB -0.626 41.259 42.059 -0.291 0.000 0.891 386 L HN 0.251 nan 8.230 nan 0.000 0.432 387 Y N -0.022 120.235 120.300 -0.071 0.000 2.184 387 Y HA -0.249 4.321 4.550 0.033 0.000 0.290 387 Y C 2.974 178.871 175.900 -0.006 0.000 1.129 387 Y CA 1.743 59.821 58.100 -0.038 0.000 1.144 387 Y CB -0.292 38.142 38.460 -0.043 0.000 0.995 387 Y HN 0.052 nan 8.280 nan 0.000 0.513 388 S N -0.685 115.018 115.700 0.004 0.000 2.368 388 S HA -0.232 4.259 4.470 0.035 0.000 0.225 388 S C 1.873 176.342 174.600 -0.218 0.000 1.030 388 S CA 1.734 59.861 58.200 -0.123 0.000 0.999 388 S CB -0.726 62.456 63.200 -0.031 0.000 0.844 388 S HN 0.612 nan 8.310 nan 0.000 0.459 389 Y N 0.821 120.985 120.300 -0.226 0.000 2.200 389 Y HA 0.061 4.631 4.550 0.034 0.000 0.290 389 Y C 2.165 177.915 175.900 -0.250 0.000 1.137 389 Y CA 0.940 58.908 58.100 -0.220 0.000 1.163 389 Y CB -0.599 37.737 38.460 -0.205 0.000 0.988 389 Y HN 0.277 nan 8.280 nan 0.000 0.518 390 L N 0.297 121.469 121.223 -0.085 0.000 2.093 390 L HA -0.181 4.180 4.340 0.035 0.000 0.208 390 L C 1.896 178.670 176.870 -0.161 0.000 1.085 390 L CA 2.070 56.856 54.840 -0.090 0.000 0.755 390 L CB -0.757 41.276 42.059 -0.043 0.000 0.904 390 L HN 0.174 nan 8.230 nan 0.000 0.435 391 D N -1.795 118.418 120.400 -0.311 0.000 2.117 391 D HA -0.223 4.438 4.640 0.035 0.000 0.198 391 D C 2.090 178.254 176.300 -0.228 0.000 0.982 391 D CA 1.585 55.386 54.000 -0.331 0.000 0.828 391 D CB -0.094 40.328 40.800 -0.631 0.000 0.967 391 D HN 0.306 nan 8.370 nan 0.000 0.464 392 T N -0.987 113.418 114.554 -0.249 0.000 3.007 392 T HA -0.097 4.274 4.350 0.035 0.000 0.270 392 T C 1.577 176.139 174.700 -0.230 0.000 1.107 392 T CA 0.839 62.810 62.100 -0.215 0.000 1.118 392 T CB -0.184 68.539 68.868 -0.242 0.000 0.889 392 T HN 0.094 nan 8.240 nan 0.000 0.506 393 Q N 0.769 120.382 119.800 -0.313 0.000 2.224 393 Q HA 0.084 4.445 4.340 0.035 0.000 0.203 393 Q C 2.330 178.197 176.000 -0.222 0.000 0.970 393 Q CA 0.818 56.356 55.803 -0.442 0.000 0.865 393 Q CB -0.510 27.473 28.738 -1.258 0.000 0.922 393 Q HN 0.529 nan 8.270 nan 0.000 0.445 394 L N 0.586 121.746 121.223 -0.105 0.000 2.191 394 L HA -0.181 4.180 4.340 0.035 0.000 0.212 394 L C 2.133 178.992 176.870 -0.018 0.000 1.103 394 L CA 1.031 55.880 54.840 0.015 0.000 0.769 394 L CB -0.426 41.647 42.059 0.023 0.000 0.908 394 L HN 0.228 nan 8.230 nan 0.000 0.438 395 N N 0.408 119.064 118.700 -0.073 0.000 2.109 395 N HA -0.127 4.634 4.740 0.035 0.000 0.188 395 N C 1.991 177.436 175.510 -0.108 0.000 1.034 395 N CA 1.275 54.280 53.050 -0.076 0.000 0.846 395 N CB 0.074 38.510 38.487 -0.085 0.000 1.010 395 N HN 0.070 nan 8.380 nan 0.000 0.425 396 R N -1.120 119.263 120.500 -0.195 0.000 2.075 396 R HA -0.010 4.351 4.340 0.035 0.000 0.232 396 R C 1.290 177.360 176.300 -0.383 0.000 1.126 396 R CA 1.247 57.145 56.100 -0.335 0.000 0.963 396 R CB -0.221 29.760 30.300 -0.531 0.000 0.858 396 R HN 0.488 nan 8.270 nan 0.000 0.435 397 H N -0.058 118.971 119.070 -0.068 0.000 2.622 397 H HA 0.237 4.816 4.556 0.038 0.000 0.269 397 H C 0.153 175.502 175.328 0.035 0.000 0.977 397 H CA 0.059 56.105 56.048 -0.003 0.000 1.179 397 H CB 0.626 30.409 29.762 0.034 0.000 1.458 397 H HN 0.086 nan 8.280 nan 0.000 0.531 398 R N -0.092 120.466 120.500 0.097 0.000 3.641 398 R HA -0.138 4.223 4.340 0.035 0.000 0.286 398 R C 0.356 176.710 176.300 0.091 0.000 1.153 398 R CA 0.809 56.951 56.100 0.071 0.000 0.775 398 R CB -2.356 27.975 30.300 0.051 0.000 1.215 398 R HN 0.559 nan 8.270 nan 0.000 0.474 399 G N -1.093 107.791 108.800 0.139 0.000 2.368 399 G HA2 0.396 4.377 3.960 0.035 0.000 0.293 399 G HA3 0.396 4.377 3.960 0.035 0.000 0.293 399 G C -2.783 172.227 174.900 0.183 0.000 1.467 399 G CA -0.598 44.572 45.100 0.117 0.000 0.804 399 G HN -0.126 nan 8.290 nan 0.000 0.535 400 P HA 0.137 nan 4.420 nan 0.000 0.255 400 P C 0.177 177.275 177.300 -0.336 0.000 1.248 400 P CA 0.173 63.246 63.100 -0.044 0.000 0.807 400 P CB 0.424 32.087 31.700 -0.062 0.000 1.150 401 N N 0.499 119.050 118.700 -0.249 0.000 2.451 401 N HA 0.105 4.866 4.740 0.035 0.000 0.264 401 N C 0.786 176.088 175.510 -0.347 0.000 1.167 401 N CA -0.224 52.608 53.050 -0.362 0.000 0.898 401 N CB -0.485 37.833 38.487 -0.283 0.000 1.176 401 N HN 0.271 nan 8.380 nan 0.000 0.507 402 F N 0.043 119.865 119.950 -0.213 0.000 2.456 402 F HA 0.227 4.778 4.527 0.040 0.000 0.298 402 F C 1.631 177.244 175.800 -0.312 0.000 1.104 402 F CA 0.316 58.093 58.000 -0.373 0.000 1.435 402 F CB 0.032 38.677 39.000 -0.591 0.000 1.078 402 F HN -0.118 nan 8.300 nan 0.000 0.546 403 E N 1.091 121.034 120.200 -0.428 0.000 2.358 403 E HA -0.115 4.256 4.350 0.035 0.000 0.195 403 E C 1.753 178.255 176.600 -0.162 0.000 1.010 403 E CA 0.584 56.855 56.400 -0.216 0.000 0.856 403 E CB -0.366 29.179 29.700 -0.258 0.000 0.795 403 E HN 0.691 nan 8.360 nan 0.000 0.504 404 Q N 0.199 119.848 119.800 -0.252 0.000 2.435 404 Q HA 0.086 4.447 4.340 0.035 0.000 0.207 404 Q C 0.553 176.502 176.000 -0.085 0.000 0.956 404 Q CA 0.054 55.729 55.803 -0.213 0.000 0.917 404 Q CB 0.147 28.569 28.738 -0.527 0.000 0.997 404 Q HN 0.222 nan 8.270 nan 0.000 0.497 405 L N 1.994 123.158 121.223 -0.099 0.000 2.453 405 L HA -0.002 4.358 4.340 0.035 0.000 0.272 405 L C -1.470 175.377 176.870 -0.038 0.000 1.182 405 L CA -1.313 53.488 54.840 -0.064 0.000 0.858 405 L CB 0.081 42.082 42.059 -0.096 0.000 1.120 405 L HN -0.101 nan 8.230 nan 0.000 0.474 406 P HA -0.249 nan 4.420 nan 0.000 0.218 406 P C 1.549 178.815 177.300 -0.056 0.000 1.154 406 P CA 1.286 64.373 63.100 -0.022 0.000 0.872 406 P CB 0.203 31.893 31.700 -0.017 0.000 0.790 407 I N -1.060 119.454 120.570 -0.093 0.000 2.546 407 I HA -0.123 4.068 4.170 0.035 0.000 0.255 407 I C 1.389 177.450 176.117 -0.095 0.000 1.163 407 I CA 1.566 62.776 61.300 -0.151 0.000 1.457 407 I CB -0.571 37.259 38.000 -0.284 0.000 1.092 407 I HN -0.139 nan 8.210 nan 0.000 0.434 408 N N 0.500 119.148 118.700 -0.088 0.000 2.422 408 N HA 0.066 4.826 4.740 0.035 0.000 0.181 408 N C 0.315 175.818 175.510 -0.012 0.000 1.080 408 N CA 0.181 53.187 53.050 -0.073 0.000 0.893 408 N CB 0.005 38.444 38.487 -0.081 0.000 0.973 408 N HN 0.328 nan 8.380 nan 0.000 0.456 409 R N 1.736 122.252 120.500 0.027 0.000 2.590 409 R HA 0.152 4.513 4.340 0.035 0.000 0.274 409 R C -2.085 174.273 176.300 0.096 0.000 1.061 409 R CA -0.954 55.180 56.100 0.056 0.000 1.081 409 R CB 0.147 30.486 30.300 0.065 0.000 0.984 409 R HN 0.109 nan 8.270 nan 0.000 0.448 410 P HA 0.026 nan 4.420 nan 0.000 0.278 410 P C 0.422 177.760 177.300 0.063 0.000 1.258 410 P CA -0.284 62.864 63.100 0.080 0.000 0.811 410 P CB 0.986 32.690 31.700 0.008 0.000 1.063 411 V N -1.693 118.272 119.914 0.085 0.000 3.647 411 V HA 0.071 4.212 4.120 0.035 0.000 0.279 411 V C 1.289 177.400 176.094 0.029 0.000 1.314 411 V CA 1.238 63.563 62.300 0.041 0.000 1.125 411 V CB -1.114 30.742 31.823 0.055 0.000 0.907 411 V HN 0.602 nan 8.190 nan 0.000 0.434 412 S N -0.427 115.291 115.700 0.030 0.000 2.540 412 S HA 0.582 5.073 4.470 0.035 0.000 0.218 412 S C 1.074 175.684 174.600 0.015 0.000 0.977 412 S CA 0.383 58.603 58.200 0.033 0.000 0.918 412 S CB -0.033 63.196 63.200 0.049 0.000 0.806 412 S HN 1.980 nan 8.310 nan 0.000 0.496 413 G N 0.261 109.039 108.800 -0.038 0.000 2.705 413 G HA2 0.024 4.005 3.960 0.035 0.000 0.686 413 G HA3 0.024 4.005 3.960 0.035 0.000 0.686 413 G C -1.032 173.763 174.900 -0.175 0.000 1.285 413 G CA -0.560 44.464 45.100 -0.127 0.000 0.800 413 G HN 0.942 nan 8.290 nan 0.000 0.611 414 V N 4.121 123.792 119.914 -0.407 0.000 2.483 414 V HA 0.656 4.797 4.120 0.035 0.000 0.297 414 V C -0.428 175.335 176.094 -0.550 0.000 1.027 414 V CA -0.837 61.287 62.300 -0.295 0.000 0.855 414 V CB 1.840 33.626 31.823 -0.062 0.000 0.995 414 V HN 0.877 nan 8.190 nan 0.000 0.424 415 H N 4.915 123.989 119.070 0.007 0.000 2.924 415 H HA 0.599 5.169 4.556 0.024 0.000 0.333 415 H C -0.733 174.614 175.328 0.031 0.000 0.979 415 H CA -0.513 55.555 56.048 0.033 0.000 1.326 415 H CB 2.358 32.135 29.762 0.025 0.000 1.600 415 H HN 0.915 nan 8.280 nan 0.000 0.520 416 N N 0.911 119.697 118.700 0.143 0.000 3.308 416 N HA 0.044 4.804 4.740 0.035 0.000 0.276 416 N C -0.978 174.617 175.510 0.141 0.000 1.533 416 N CA -0.863 52.236 53.050 0.082 0.000 0.878 416 N CB 0.333 38.740 38.487 -0.133 0.000 1.566 416 N HN 0.279 nan 8.380 nan 0.000 0.546 417 N N -2.015 116.797 118.700 0.188 0.000 2.320 417 N HA 0.118 4.878 4.740 0.035 0.000 0.237 417 N C -0.877 174.779 175.510 0.245 0.000 1.129 417 N CA -0.293 52.878 53.050 0.202 0.000 0.854 417 N CB -0.139 38.452 38.487 0.173 0.000 1.083 417 N HN 0.363 nan 8.380 nan 0.000 0.504 418 H N 1.067 120.138 119.070 0.001 0.000 2.742 418 H HA 0.283 4.870 4.556 0.052 0.000 0.302 418 H C 0.109 175.342 175.328 -0.158 0.000 1.069 418 H CA -0.392 55.632 56.048 -0.040 0.000 1.446 418 H CB 0.748 30.498 29.762 -0.021 0.000 1.462 418 H HN -0.024 nan 8.280 nan 0.000 0.499 419 R N 2.658 123.147 120.500 -0.017 0.000 2.807 419 R HA 0.197 4.558 4.340 0.035 0.000 0.276 419 R C 0.001 176.277 176.300 -0.040 0.000 0.979 419 R CA -0.733 55.309 56.100 -0.097 0.000 0.928 419 R CB 1.419 31.708 30.300 -0.019 0.000 1.191 419 R HN 0.847 nan 8.270 nan 0.000 0.471 420 D N -0.230 120.153 120.400 -0.029 0.000 3.455 420 D HA -0.166 4.495 4.640 0.035 0.000 0.216 420 D C 0.386 176.663 176.300 -0.039 0.000 1.510 420 D CA 1.872 55.862 54.000 -0.018 0.000 1.128 420 D CB -1.048 39.747 40.800 -0.009 0.000 0.680 420 D HN 0.860 nan 8.370 nan 0.000 0.828 421 G N -0.827 107.952 108.800 -0.035 0.000 2.707 421 G HA2 0.155 4.135 3.960 0.035 0.000 0.686 421 G HA3 0.155 4.135 3.960 0.035 0.000 0.686 421 G C -0.721 174.155 174.900 -0.040 0.000 1.315 421 G CA 0.362 45.435 45.100 -0.044 0.000 0.832 421 G HN 0.641 nan 8.290 nan 0.000 0.573 422 Q N 0.356 120.138 119.800 -0.030 0.000 2.271 422 Q HA 0.503 4.864 4.340 0.035 0.000 0.273 422 Q C 1.254 177.233 176.000 -0.034 0.000 1.051 422 Q CA 1.981 57.773 55.803 -0.018 0.000 0.901 422 Q CB 0.340 29.081 28.738 0.005 0.000 1.174 422 Q HN 2.502 nan 8.270 nan 0.000 0.385 423 G N 3.501 112.283 108.800 -0.031 0.000 2.298 423 G HA2 -0.307 3.674 3.960 0.035 0.000 0.287 423 G HA3 -0.307 3.674 3.960 0.035 0.000 0.287 423 G C -0.364 174.481 174.900 -0.091 0.000 1.075 423 G CA 0.273 45.348 45.100 -0.042 0.000 0.960 423 G HN 0.648 nan 8.290 nan 0.000 0.502 424 Q N -0.073 119.675 119.800 -0.086 0.000 2.262 424 Q HA 0.634 4.995 4.340 0.035 0.000 0.272 424 Q C 1.278 177.203 176.000 -0.125 0.000 1.076 424 Q CA 1.074 56.802 55.803 -0.125 0.000 0.905 424 Q CB 0.805 29.513 28.738 -0.050 0.000 1.182 424 Q HN 0.896 nan 8.270 nan 0.000 0.390 425 A N 5.106 127.765 122.820 -0.269 0.000 2.081 425 A HA 0.145 4.486 4.320 0.035 0.000 0.214 425 A C -0.254 177.350 177.584 0.034 0.000 1.158 425 A CA 0.134 52.067 52.037 -0.174 0.000 0.724 425 A CB 0.062 18.906 19.000 -0.260 0.000 0.826 425 A HN 0.722 nan 8.150 nan 0.000 0.463 426 W N -1.032 120.242 121.300 -0.043 0.000 2.578 426 W HA 0.673 5.340 4.660 0.012 0.000 0.364 426 W C -0.523 175.941 176.519 -0.092 0.000 1.144 426 W CA -1.564 55.709 57.345 -0.121 0.000 1.242 426 W CB 0.263 29.558 29.460 -0.275 0.000 1.382 426 W HN -0.155 nan 8.180 nan 0.000 0.625 427 I N 1.990 122.629 120.570 0.114 0.000 2.437 427 I HA 0.104 4.295 4.170 0.035 0.000 0.279 427 I C -0.696 175.428 176.117 0.012 0.000 1.028 427 I CA -0.885 60.462 61.300 0.079 0.000 1.142 427 I CB 0.614 38.645 38.000 0.052 0.000 1.266 427 I HN 0.193 nan 8.210 nan 0.000 0.461 428 H N 5.028 124.153 119.070 0.092 0.000 2.722 428 H HA 0.181 4.754 4.556 0.028 0.000 0.328 428 H C 0.696 176.039 175.328 0.024 0.000 1.067 428 H CA 0.105 56.196 56.048 0.071 0.000 1.447 428 H CB 1.188 31.002 29.762 0.086 0.000 1.469 428 H HN 0.421 nan 8.280 nan 0.000 0.544 429 K N 1.634 122.098 120.400 0.106 0.000 2.186 429 K HA -0.051 4.290 4.320 0.035 0.000 0.202 429 K C 0.487 177.116 176.600 0.048 0.000 1.052 429 K CA 0.301 56.618 56.287 0.051 0.000 0.965 429 K CB 0.197 32.710 32.500 0.022 0.000 0.746 429 K HN 0.396 nan 8.250 nan 0.000 0.457 430 N N 2.273 121.022 118.700 0.082 0.000 2.416 430 N HA -0.034 4.727 4.740 0.035 0.000 0.271 430 N C 0.803 176.320 175.510 0.011 0.000 1.245 430 N CA -0.059 53.032 53.050 0.068 0.000 0.940 430 N CB 0.315 38.866 38.487 0.107 0.000 1.175 430 N HN 0.189 nan 8.380 nan 0.000 0.483 431 I N 0.480 121.006 120.570 -0.073 0.000 2.546 431 I HA 0.028 4.219 4.170 0.035 0.000 0.255 431 I C -0.219 175.789 176.117 -0.183 0.000 1.163 431 I CA 0.740 61.916 61.300 -0.207 0.000 1.457 431 I CB -0.323 37.502 38.000 -0.292 0.000 1.092 431 I HN 0.386 nan 8.210 nan 0.000 0.434 432 H N 3.474 122.601 119.070 0.094 0.000 2.882 432 H HA 0.199 4.774 4.556 0.032 0.000 0.258 432 H C -0.171 175.119 175.328 -0.063 0.000 1.579 432 H CA -0.440 55.632 56.048 0.039 0.000 1.340 432 H CB -0.358 29.294 29.762 -0.184 0.000 1.645 432 H HN 0.369 nan 8.280 nan 0.000 0.541 433 H N 2.390 121.517 119.070 0.094 0.000 2.640 433 H HA 0.171 4.746 4.556 0.032 0.000 0.220 433 H C -0.760 174.707 175.328 0.231 0.000 1.852 433 H CA -0.895 55.216 56.048 0.105 0.000 1.275 433 H CB -1.300 28.518 29.762 0.093 0.000 1.675 433 H HN 0.636 nan 8.280 nan 0.000 0.523 434 Y N -1.378 118.961 120.300 0.064 0.000 2.750 434 Y HA 0.600 5.170 4.550 0.033 0.000 0.335 434 Y C -1.284 174.642 175.900 0.042 0.000 1.252 434 Y CA -1.110 56.988 58.100 -0.003 0.000 1.064 434 Y CB 0.629 39.052 38.460 -0.062 0.000 1.321 434 Y HN 0.309 nan 8.280 nan 0.000 0.451 435 S N 0.318 116.137 115.700 0.199 0.000 2.537 435 S HA 0.750 5.241 4.470 0.035 0.000 0.271 435 S C -3.094 171.589 174.600 0.137 0.000 1.148 435 S CA -1.049 57.219 58.200 0.113 0.000 0.868 435 S CB 1.230 64.455 63.200 0.042 0.000 1.115 435 S HN 0.884 nan 8.310 nan 0.000 0.461 436 P HA 0.684 nan 4.420 nan 0.000 0.274 436 P C -0.852 176.531 177.300 0.138 0.000 1.237 436 P CA -0.357 62.792 63.100 0.082 0.000 0.793 436 P CB 1.182 32.918 31.700 0.060 0.000 0.977 437 S N -0.150 115.590 115.700 0.066 0.000 2.563 437 S HA 0.177 4.668 4.470 0.035 0.000 0.279 437 S C -0.152 174.469 174.600 0.035 0.000 1.155 437 S CA -0.691 57.553 58.200 0.072 0.000 0.928 437 S CB 0.583 63.678 63.200 -0.175 0.000 1.107 437 S HN 0.528 nan 8.310 nan 0.000 0.462 438 Y N 5.242 125.525 120.300 -0.028 0.000 2.286 438 Y HA 0.233 4.804 4.550 0.035 0.000 0.293 438 Y C 1.446 177.282 175.900 -0.105 0.000 1.124 438 Y CA 1.520 59.591 58.100 -0.049 0.000 1.178 438 Y CB -0.139 38.307 38.460 -0.024 0.000 1.010 438 Y HN 0.708 nan 8.280 nan 0.000 0.536 439 L N 0.890 121.958 121.223 -0.258 0.000 2.083 439 L HA -0.237 4.123 4.340 0.035 0.000 0.209 439 L C 1.682 178.241 176.870 -0.519 0.000 1.083 439 L CA 1.806 56.319 54.840 -0.546 0.000 0.752 439 L CB -0.713 40.789 42.059 -0.928 0.000 0.899 439 L HN 0.412 nan 8.230 nan 0.000 0.433 440 N N -1.301 117.179 118.700 -0.366 0.000 2.398 440 N HA -0.098 4.662 4.740 0.035 0.000 0.188 440 N C 0.121 175.594 175.510 -0.062 0.000 1.122 440 N CA 0.064 53.026 53.050 -0.147 0.000 0.866 440 N CB -0.020 38.414 38.487 -0.090 0.000 0.970 440 N HN -0.051 nan 8.380 nan 0.000 0.462 441 K N -0.199 120.105 120.400 -0.160 0.000 3.125 441 K HA -0.132 4.208 4.320 0.035 0.000 0.268 441 K C 0.756 177.318 176.600 -0.063 0.000 1.078 441 K CA 0.785 57.024 56.287 -0.081 0.000 0.775 441 K CB -2.378 30.139 32.500 0.029 0.000 1.253 441 K HN 0.732 nan 8.250 nan 0.000 0.486 442 G N -0.491 108.216 108.800 -0.155 0.000 2.249 442 G HA2 -0.337 3.644 3.960 0.035 0.000 0.273 442 G HA3 -0.337 3.644 3.960 0.035 0.000 0.273 442 G C -0.396 174.197 174.900 -0.513 0.000 1.036 442 G CA 0.748 45.672 45.100 -0.293 0.000 0.824 442 G HN 0.402 nan 8.290 nan 0.000 0.504 443 Y N -0.858 119.404 120.300 -0.064 0.000 2.406 443 Y HA 0.505 5.073 4.550 0.029 0.000 0.340 443 Y C -2.112 173.767 175.900 -0.035 0.000 0.975 443 Y CA -2.480 55.590 58.100 -0.050 0.000 1.056 443 Y CB 2.227 40.650 38.460 -0.062 0.000 1.210 443 Y HN -0.000 nan 8.280 nan 0.000 0.448 444 P HA 0.182 nan 4.420 nan 0.000 0.268 444 P C -0.679 176.635 177.300 0.024 0.000 1.204 444 P CA -0.091 63.089 63.100 0.132 0.000 0.768 444 P CB 0.729 32.502 31.700 0.122 0.000 0.842 445 A N 3.419 126.229 122.820 -0.017 0.000 2.287 445 A HA 0.299 4.639 4.320 0.035 0.000 0.273 445 A C 0.161 177.727 177.584 -0.030 0.000 1.091 445 A CA -0.442 51.518 52.037 -0.129 0.000 0.817 445 A CB 0.155 19.022 19.000 -0.221 0.000 1.069 445 A HN 0.476 nan 8.150 nan 0.000 0.492 446 Q N -0.271 119.507 119.800 -0.036 0.000 2.293 446 Q HA 0.536 4.896 4.340 0.035 0.000 0.251 446 Q C -0.345 175.667 176.000 0.019 0.000 0.930 446 Q CA 0.067 55.875 55.803 0.008 0.000 0.893 446 Q CB 1.551 30.294 28.738 0.007 0.000 1.215 446 Q HN 0.792 nan 8.270 nan 0.000 0.425 447 A N 2.885 125.735 122.820 0.051 0.000 2.374 447 A HA 0.653 4.994 4.320 0.035 0.000 0.305 447 A C -0.437 177.197 177.584 0.083 0.000 1.053 447 A CA -0.624 51.449 52.037 0.060 0.000 0.726 447 A CB 0.901 19.947 19.000 0.075 0.000 1.229 447 A HN 0.862 nan 8.150 nan 0.000 0.431 448 N N 0.774 119.509 118.700 0.059 0.000 3.550 448 N HA 0.216 4.976 4.740 0.035 0.000 0.357 448 N C 0.825 176.339 175.510 0.007 0.000 1.585 448 N CA -0.157 52.931 53.050 0.064 0.000 0.651 448 N CB 0.026 38.533 38.487 0.033 0.000 2.273 448 N HN 0.504 nan 8.380 nan 0.000 0.631 449 Q N -0.838 118.884 119.800 -0.130 0.000 2.079 449 Q HA -0.082 4.278 4.340 0.035 0.000 0.200 449 Q C 0.917 176.752 176.000 -0.274 0.000 0.974 449 Q CA 2.498 58.043 55.803 -0.429 0.000 0.840 449 Q CB -0.190 28.075 28.738 -0.788 0.000 0.898 449 Q HN 0.850 nan 8.270 nan 0.000 0.430 450 T N -3.523 110.928 114.554 -0.172 0.000 3.044 450 T HA 0.244 4.615 4.350 0.035 0.000 0.250 450 T C 0.267 174.932 174.700 -0.059 0.000 1.081 450 T CA -0.245 61.787 62.100 -0.114 0.000 1.040 450 T CB 0.629 69.437 68.868 -0.100 0.000 0.962 450 T HN -0.038 nan 8.240 nan 0.000 0.506 451 V N 0.938 120.829 119.914 -0.039 0.000 2.531 451 V HA 0.712 4.853 4.120 0.035 0.000 0.301 451 V C 1.215 177.317 176.094 0.013 0.000 1.034 451 V CA -0.282 62.011 62.300 -0.012 0.000 0.865 451 V CB 0.736 32.552 31.823 -0.012 0.000 0.995 451 V HN 0.538 nan 8.190 nan 0.000 0.424 452 G N 3.939 112.752 108.800 0.022 0.000 2.168 452 G HA2 -0.303 3.677 3.960 0.035 0.000 0.263 452 G HA3 -0.303 3.677 3.960 0.035 0.000 0.263 452 G C 0.530 175.465 174.900 0.058 0.000 0.977 452 G CA 0.247 45.371 45.100 0.041 0.000 0.659 452 G HN 0.930 nan 8.290 nan 0.000 0.533 453 R N -1.415 119.118 120.500 0.054 0.000 3.251 453 R HA -0.150 4.211 4.340 0.035 0.000 0.249 453 R C 1.040 177.416 176.300 0.126 0.000 0.949 453 R CA 0.844 56.993 56.100 0.082 0.000 0.645 453 R CB -2.218 28.126 30.300 0.074 0.000 1.065 453 R HN 1.441 nan 8.270 nan 0.000 0.452 454 G N 0.431 109.317 108.800 0.142 0.000 2.504 454 G HA2 0.404 4.384 3.960 0.035 0.000 0.288 454 G HA3 0.404 4.384 3.960 0.035 0.000 0.288 454 G C -0.256 174.818 174.900 0.291 0.000 1.182 454 G CA -0.705 44.511 45.100 0.195 0.000 0.894 454 G HN 0.245 nan 8.290 nan 0.000 0.521 455 F N 1.239 121.278 119.950 0.149 0.000 2.563 455 F HA 0.473 5.039 4.527 0.064 0.000 0.363 455 F C -0.163 175.774 175.800 0.229 0.000 1.123 455 F CA -0.167 57.902 58.000 0.115 0.000 1.307 455 F CB 0.323 39.354 39.000 0.052 0.000 1.115 455 F HN 0.399 nan 8.300 nan 0.000 0.592 456 F N 2.259 121.746 119.950 -0.772 0.000 2.596 456 F HA 0.495 5.038 4.527 0.027 0.000 0.311 456 F C -0.785 174.610 175.800 -0.675 0.000 1.116 456 F CA -1.126 56.599 58.000 -0.459 0.000 0.957 456 F CB 0.220 39.091 39.000 -0.216 0.000 1.250 456 F HN 0.297 nan 8.300 nan 0.000 0.444 457 T N 1.511 115.962 114.554 -0.172 0.000 2.926 457 T HA 0.159 4.530 4.350 0.035 0.000 0.307 457 T C 0.147 174.832 174.700 -0.025 0.000 1.059 457 T CA -0.055 61.995 62.100 -0.083 0.000 1.122 457 T CB 0.499 69.454 68.868 0.145 0.000 0.972 457 T HN 0.769 nan 8.240 nan 0.000 0.545 458 T N 6.099 120.617 114.554 -0.059 0.000 2.704 458 T HA 0.025 4.396 4.350 0.035 0.000 0.271 458 T C -1.321 173.430 174.700 0.085 0.000 1.000 458 T CA -0.849 61.260 62.100 0.016 0.000 1.216 458 T CB 0.271 69.140 68.868 0.003 0.000 0.961 458 T HN 0.425 nan 8.240 nan 0.000 0.515 459 P HA -0.079 nan 4.420 nan 0.000 0.217 459 P C 1.663 178.997 177.300 0.057 0.000 1.148 459 P CA 0.799 63.955 63.100 0.092 0.000 0.828 459 P CB 0.013 31.756 31.700 0.072 0.000 0.783 460 G N -1.169 107.661 108.800 0.049 0.000 2.650 460 G HA2 -0.094 3.887 3.960 0.035 0.000 0.214 460 G HA3 -0.094 3.887 3.960 0.035 0.000 0.214 460 G C 0.787 175.707 174.900 0.033 0.000 1.136 460 G CA -0.159 44.961 45.100 0.034 0.000 0.789 460 G HN 0.212 nan 8.290 nan 0.000 0.536 461 R N 0.698 121.223 120.500 0.042 0.000 2.643 461 R HA 0.371 4.732 4.340 0.035 0.000 0.270 461 R C 0.154 176.477 176.300 0.039 0.000 1.061 461 R CA 0.762 56.887 56.100 0.042 0.000 1.107 461 R CB 0.484 30.818 30.300 0.056 0.000 0.999 461 R HN 0.327 nan 8.270 nan 0.000 0.460 462 T N -1.761 112.813 114.554 0.032 0.000 2.841 462 T HA 0.741 5.112 4.350 0.035 0.000 0.296 462 T C -1.096 173.619 174.700 0.024 0.000 1.166 462 T CA -1.015 61.101 62.100 0.027 0.000 1.007 462 T CB 2.086 70.965 68.868 0.019 0.000 1.253 462 T HN 0.598 nan 8.240 nan 0.000 0.511 463 A N 0.432 123.264 122.820 0.020 0.000 2.401 463 A HA 0.922 5.263 4.320 0.035 0.000 0.310 463 A C -0.359 177.230 177.584 0.009 0.000 1.075 463 A CA -0.790 51.256 52.037 0.015 0.000 0.746 463 A CB 1.738 20.747 19.000 0.015 0.000 1.277 463 A HN 1.330 nan 8.150 nan 0.000 0.425 464 S N 0.186 115.889 115.700 0.005 0.000 2.548 464 S HA 0.749 5.240 4.470 0.035 0.000 0.278 464 S C -0.369 174.230 174.600 -0.002 0.000 1.150 464 S CA 0.827 59.028 58.200 0.002 0.000 0.907 464 S CB 1.016 64.217 63.200 0.002 0.000 1.108 464 S HN 2.882 nan 8.310 nan 0.000 0.459 465 G N 1.559 110.357 108.800 -0.003 0.000 2.384 465 G HA2 0.082 4.063 3.960 0.035 0.000 0.668 465 G HA3 0.082 4.063 3.960 0.035 0.000 0.668 465 G C -1.193 173.702 174.900 -0.008 0.000 1.280 465 G CA -0.369 44.727 45.100 -0.006 0.000 0.992 465 G HN 1.290 nan 8.290 nan 0.000 0.512 466 V N 0.853 120.761 119.914 -0.010 0.000 2.775 466 V HA 0.394 4.535 4.120 0.035 0.000 0.299 466 V C 1.322 177.407 176.094 -0.015 0.000 1.062 466 V CA -0.429 61.864 62.300 -0.011 0.000 1.063 466 V CB 1.320 33.136 31.823 -0.011 0.000 0.994 466 V HN 0.645 nan 8.190 nan 0.000 0.483 467 L N 4.891 126.106 121.223 -0.014 0.000 2.433 467 L HA 0.259 4.619 4.340 0.035 0.000 0.275 467 L C 0.206 177.063 176.870 -0.021 0.000 1.128 467 L CA 0.195 55.024 54.840 -0.018 0.000 0.875 467 L CB -0.342 41.708 42.059 -0.016 0.000 1.171 467 L HN 0.939 nan 8.230 nan 0.000 0.463 468 N N 1.946 120.630 118.700 -0.027 0.000 2.229 468 N HA 0.431 5.191 4.740 0.035 0.000 0.298 468 N C -0.791 174.697 175.510 -0.037 0.000 1.114 468 N CA -1.093 51.939 53.050 -0.030 0.000 0.776 468 N CB 1.419 39.886 38.487 -0.033 0.000 1.501 468 N HN 0.307 nan 8.380 nan 0.000 0.474 469 R N 0.944 121.424 120.500 -0.033 0.000 3.785 469 R HA 0.275 4.635 4.340 0.035 0.000 0.255 469 R C -0.764 175.513 176.300 -0.039 0.000 1.485 469 R CA -0.198 55.880 56.100 -0.036 0.000 1.555 469 R CB 0.081 30.365 30.300 -0.027 0.000 1.362 469 R HN 0.658 nan 8.270 nan 0.000 0.702 470 E N 0.479 120.646 120.200 -0.055 0.000 2.433 470 E HA 0.392 4.763 4.350 0.035 0.000 0.273 470 E C -1.447 175.086 176.600 -0.112 0.000 0.950 470 E CA -1.159 55.202 56.400 -0.064 0.000 0.796 470 E CB 2.031 31.699 29.700 -0.053 0.000 1.330 470 E HN -0.064 nan 8.360 nan 0.000 0.455 471 L N 0.760 121.904 121.223 -0.131 0.000 2.346 471 L HA 0.383 4.743 4.340 0.035 0.000 0.274 471 L C -0.184 176.544 176.870 -0.237 0.000 1.007 471 L CA -0.216 54.468 54.840 -0.260 0.000 0.818 471 L CB 1.948 43.867 42.059 -0.232 0.000 1.284 471 L HN 0.487 nan 8.230 nan 0.000 0.424 472 S N 2.167 117.640 115.700 -0.378 0.000 2.568 472 S HA 0.262 4.753 4.470 0.035 0.000 0.282 472 S C 1.354 175.962 174.600 0.014 0.000 1.338 472 S CA 0.227 58.341 58.200 -0.143 0.000 1.045 472 S CB 0.896 64.057 63.200 -0.066 0.000 0.873 472 S HN 0.816 nan 8.310 nan 0.000 0.516 473 A N 3.076 125.926 122.820 0.051 0.000 2.121 473 A HA -0.000 4.340 4.320 0.035 0.000 0.218 473 A C 2.109 179.764 177.584 0.118 0.000 1.154 473 A CA 1.650 53.731 52.037 0.073 0.000 0.679 473 A CB -1.203 17.823 19.000 0.044 0.000 0.795 473 A HN 1.047 nan 8.150 nan 0.000 0.458 474 T N -4.018 110.645 114.554 0.181 0.000 3.113 474 T HA 0.016 4.387 4.350 0.035 0.000 0.263 474 T C 0.998 175.824 174.700 0.209 0.000 1.143 474 T CA 0.649 62.855 62.100 0.177 0.000 1.090 474 T CB -0.520 68.446 68.868 0.163 0.000 0.922 474 T HN 0.239 nan 8.240 nan 0.000 0.521 475 F N 1.651 121.590 119.950 -0.017 0.000 2.765 475 F HA 0.298 4.845 4.527 0.033 0.000 0.302 475 F C 1.383 177.082 175.800 -0.169 0.000 1.111 475 F CA -0.986 56.995 58.000 -0.032 0.000 1.359 475 F CB -0.144 38.872 39.000 0.026 0.000 1.097 475 F HN 0.115 nan 8.300 nan 0.000 0.577 476 D N -0.521 119.869 120.400 -0.018 0.000 2.269 476 D HA -0.121 4.540 4.640 0.035 0.000 0.208 476 D C 0.669 176.665 176.300 -0.506 0.000 0.963 476 D CA 0.874 54.757 54.000 -0.195 0.000 0.864 476 D CB -0.228 40.563 40.800 -0.015 0.000 0.936 476 D HN 0.077 nan 8.370 nan 0.000 0.505 477 D N 0.038 120.224 120.400 -0.357 0.000 2.338 477 D HA -0.020 4.641 4.640 0.035 0.000 0.255 477 D C 0.530 176.489 176.300 -0.570 0.000 1.237 477 D CA 0.101 53.896 54.000 -0.340 0.000 0.883 477 D CB 0.290 41.029 40.800 -0.102 0.000 1.087 477 D HN 0.199 nan 8.370 nan 0.000 0.485 478 H N 3.318 122.084 119.070 -0.506 0.000 2.827 478 H HA 0.048 4.624 4.556 0.034 0.000 0.269 478 H C 0.277 175.097 175.328 -0.846 0.000 1.031 478 H CA 0.224 55.844 56.048 -0.713 0.000 1.202 478 H CB 0.613 29.821 29.762 -0.923 0.000 1.511 478 H HN 0.510 nan 8.280 nan 0.000 0.517 479 Y N -0.517 119.560 120.300 -0.371 0.000 2.430 479 Y HA 0.127 4.698 4.550 0.035 0.000 0.254 479 Y C 2.228 178.019 175.900 -0.181 0.000 1.088 479 Y CA 0.194 58.093 58.100 -0.334 0.000 1.267 479 Y CB 0.384 38.553 38.460 -0.485 0.000 1.204 479 Y HN -0.047 nan 8.280 nan 0.000 0.515 480 T N 0.003 114.544 114.554 -0.022 0.000 2.770 480 T HA -0.141 4.229 4.350 0.035 0.000 0.263 480 T C 1.771 176.521 174.700 0.084 0.000 1.039 480 T CA 1.476 63.656 62.100 0.133 0.000 1.142 480 T CB -0.100 68.803 68.868 0.058 0.000 0.868 480 T HN 0.336 nan 8.240 nan 0.000 0.435 481 Q N 0.240 119.909 119.800 -0.217 0.000 2.123 481 Q HA -0.030 4.331 4.340 0.035 0.000 0.199 481 Q C -0.532 175.264 176.000 -0.341 0.000 0.966 481 Q CA 1.187 56.761 55.803 -0.383 0.000 0.845 481 Q CB -1.164 27.105 28.738 -0.781 0.000 0.907 481 Q HN 0.415 nan 8.270 nan 0.000 0.439 482 P HA -0.202 nan 4.420 nan 0.000 0.216 482 P C 1.098 178.365 177.300 -0.056 0.000 1.153 482 P CA 1.396 64.348 63.100 -0.247 0.000 0.858 482 P CB -0.027 31.386 31.700 -0.478 0.000 0.789 483 R N -0.333 120.164 120.500 -0.006 0.000 2.092 483 R HA -0.061 4.300 4.340 0.035 0.000 0.231 483 R C 2.048 178.413 176.300 0.107 0.000 1.119 483 R CA 1.120 57.244 56.100 0.039 0.000 0.970 483 R CB -1.699 28.572 30.300 -0.048 0.000 0.864 483 R HN 0.068 nan 8.270 nan 0.000 0.440 484 L N 0.018 121.397 121.223 0.260 0.000 2.083 484 L HA -0.037 4.323 4.340 0.035 0.000 0.209 484 L C 1.983 179.055 176.870 0.337 0.000 1.083 484 L CA 1.693 56.748 54.840 0.357 0.000 0.752 484 L CB -0.757 41.506 42.059 0.339 0.000 0.899 484 L HN 0.296 nan 8.230 nan 0.000 0.433 485 F N -1.012 119.093 119.950 0.259 0.000 2.113 485 F HA -0.235 4.314 4.527 0.035 0.000 0.297 485 F C 2.187 178.069 175.800 0.137 0.000 1.103 485 F CA 1.607 59.735 58.000 0.214 0.000 1.248 485 F CB -0.610 38.524 39.000 0.223 0.000 0.999 485 F HN 0.153 nan 8.300 nan 0.000 0.475 486 F N 1.587 121.554 119.950 0.029 0.000 2.186 486 F HA -0.181 4.367 4.527 0.034 0.000 0.299 486 F C 2.147 177.873 175.800 -0.123 0.000 1.090 486 F CA 1.724 59.695 58.000 -0.048 0.000 1.307 486 F CB -0.707 38.421 39.000 0.213 0.000 1.019 486 F HN -0.048 nan 8.300 nan 0.000 0.489 487 N N -0.159 118.538 118.700 -0.004 0.000 2.289 487 N HA -0.124 4.637 4.740 0.035 0.000 0.184 487 N C 1.653 177.071 175.510 -0.154 0.000 1.016 487 N CA 1.390 54.389 53.050 -0.084 0.000 0.872 487 N CB -0.499 37.989 38.487 0.002 0.000 0.973 487 N HN 0.183 nan 8.380 nan 0.000 0.433 488 S N 0.207 115.807 115.700 -0.166 0.000 2.593 488 S HA 0.204 4.695 4.470 0.035 0.000 0.217 488 S C 0.761 175.200 174.600 -0.268 0.000 0.966 488 S CA -0.056 58.049 58.200 -0.157 0.000 0.914 488 S CB 0.228 63.388 63.200 -0.067 0.000 0.776 488 S HN 0.168 nan 8.310 nan 0.000 0.523 489 L N 1.791 122.772 121.223 -0.403 0.000 2.352 489 L HA 0.399 4.760 4.340 0.035 0.000 0.269 489 L C 0.916 177.605 176.870 -0.302 0.000 1.034 489 L CA -0.836 53.771 54.840 -0.389 0.000 0.806 489 L CB 1.067 42.804 42.059 -0.537 0.000 1.244 489 L HN 0.087 nan 8.230 nan 0.000 0.447 490 T N -2.082 112.350 114.554 -0.203 0.000 2.868 490 T HA 0.198 4.568 4.350 0.035 0.000 0.292 490 T C -1.964 172.602 174.700 -0.223 0.000 1.028 490 T CA -1.530 60.471 62.100 -0.164 0.000 1.059 490 T CB 1.089 69.906 68.868 -0.086 0.000 0.991 490 T HN 0.336 nan 8.240 nan 0.000 0.531 491 P HA -0.110 nan 4.420 nan 0.000 0.216 491 P C 1.691 178.839 177.300 -0.254 0.000 1.153 491 P CA 0.628 63.609 63.100 -0.198 0.000 0.858 491 P CB -0.178 31.442 31.700 -0.133 0.000 0.789 492 V N -0.177 119.559 119.914 -0.297 0.000 2.453 492 V HA -0.200 3.941 4.120 0.035 0.000 0.247 492 V C 2.267 177.905 176.094 -0.761 0.000 1.048 492 V CA 1.691 63.672 62.300 -0.533 0.000 1.049 492 V CB -1.182 30.334 31.823 -0.512 0.000 0.672 492 V HN 0.166 nan 8.190 nan 0.000 0.457 493 E N -0.133 119.829 120.200 -0.397 0.000 2.110 493 E HA -0.263 4.108 4.350 0.035 0.000 0.193 493 E C 2.339 178.851 176.600 -0.147 0.000 0.988 493 E CA 1.259 57.584 56.400 -0.126 0.000 0.804 493 E CB -0.126 29.578 29.700 0.007 0.000 0.745 493 E HN 0.667 nan 8.360 nan 0.000 0.458 494 Q N 0.168 119.795 119.800 -0.288 0.000 2.167 494 Q HA -0.215 4.146 4.340 0.035 0.000 0.202 494 Q C 2.128 178.108 176.000 -0.034 0.000 0.970 494 Q CA 1.127 56.750 55.803 -0.300 0.000 0.855 494 Q CB -0.014 28.370 28.738 -0.590 0.000 0.911 494 Q HN 0.098 nan 8.270 nan 0.000 0.438 495 Q N 0.057 119.756 119.800 -0.168 0.000 2.119 495 Q HA -0.132 4.228 4.340 0.035 0.000 0.201 495 Q C 1.434 177.398 176.000 -0.060 0.000 0.972 495 Q CA 1.398 57.120 55.803 -0.135 0.000 0.847 495 Q CB -0.076 28.506 28.738 -0.260 0.000 0.903 495 Q HN 0.266 nan 8.270 nan 0.000 0.433 496 F N -0.820 119.094 119.950 -0.061 0.000 2.171 496 F HA -0.158 4.390 4.527 0.035 0.000 0.300 496 F C 2.206 178.004 175.800 -0.004 0.000 1.090 496 F CA 0.800 58.764 58.000 -0.060 0.000 1.293 496 F CB -0.961 37.969 39.000 -0.116 0.000 1.013 496 F HN -0.046 nan 8.300 nan 0.000 0.486 497 V N 0.224 120.263 119.914 0.208 0.000 2.295 497 V HA -0.280 3.861 4.120 0.035 0.000 0.246 497 V C 2.414 178.541 176.094 0.055 0.000 1.049 497 V CA 1.680 64.058 62.300 0.129 0.000 1.024 497 V CB -0.581 31.351 31.823 0.183 0.000 0.648 497 V HN 0.261 nan 8.190 nan 0.000 0.447 498 I N 0.453 121.077 120.570 0.090 0.000 2.252 498 I HA -0.188 4.002 4.170 0.035 0.000 0.245 498 I C 2.297 178.450 176.117 0.060 0.000 1.102 498 I CA 1.328 62.656 61.300 0.046 0.000 1.385 498 I CB -0.506 37.537 38.000 0.072 0.000 1.064 498 I HN 0.348 nan 8.210 nan 0.000 0.414 499 N N 1.240 119.999 118.700 0.097 0.000 2.223 499 N HA -0.122 4.639 4.740 0.035 0.000 0.185 499 N C 1.826 177.408 175.510 0.119 0.000 1.016 499 N CA 1.474 54.602 53.050 0.129 0.000 0.863 499 N CB -0.337 38.259 38.487 0.182 0.000 0.983 499 N HN 0.353 nan 8.380 nan 0.000 0.429 500 A N 0.828 123.690 122.820 0.070 0.000 1.898 500 A HA -0.003 4.337 4.320 0.035 0.000 0.216 500 A C 2.275 179.902 177.584 0.071 0.000 1.181 500 A CA 0.767 52.796 52.037 -0.012 0.000 0.620 500 A CB -0.559 18.414 19.000 -0.046 0.000 0.819 500 A HN 0.197 nan 8.150 nan 0.000 0.442 501 I N -0.907 119.706 120.570 0.071 0.000 2.226 501 I HA -0.261 3.930 4.170 0.035 0.000 0.245 501 I C 2.763 178.847 176.117 -0.054 0.000 1.100 501 I CA 1.277 62.615 61.300 0.064 0.000 1.374 501 I CB -0.328 37.695 38.000 0.040 0.000 1.057 501 I HN 0.282 nan 8.210 nan 0.000 0.413 502 R N 0.051 120.556 120.500 0.009 0.000 2.091 502 R HA -0.220 4.141 4.340 0.035 0.000 0.238 502 R C 2.321 178.650 176.300 0.050 0.000 1.136 502 R CA 1.935 58.042 56.100 0.011 0.000 0.959 502 R CB -0.526 29.813 30.300 0.064 0.000 0.856 502 R HN 0.272 nan 8.270 nan 0.000 0.437 503 F N 1.894 121.843 119.950 -0.002 0.000 2.075 503 F HA -0.173 4.375 4.527 0.034 0.000 0.297 503 F C 2.012 177.902 175.800 0.150 0.000 1.113 503 F CA 1.618 59.671 58.000 0.088 0.000 1.218 503 F CB -0.039 38.998 39.000 0.063 0.000 0.984 503 F HN -0.042 nan 8.300 nan 0.000 0.472 504 E N 0.180 120.437 120.200 0.095 0.000 2.107 504 E HA -0.130 4.241 4.350 0.035 0.000 0.191 504 E C 2.300 178.683 176.600 -0.362 0.000 0.982 504 E CA 0.871 57.243 56.400 -0.046 0.000 0.809 504 E CB -0.421 29.436 29.700 0.262 0.000 0.756 504 E HN 0.498 nan 8.360 nan 0.000 0.459 505 A N 1.654 124.110 122.820 -0.608 0.000 2.015 505 A HA -0.153 4.187 4.320 0.035 0.000 0.219 505 A C 2.318 179.687 177.584 -0.357 0.000 1.163 505 A CA 1.602 53.200 52.037 -0.731 0.000 0.646 505 A CB -0.457 18.145 19.000 -0.664 0.000 0.806 505 A HN 0.303 nan 8.150 nan 0.000 0.448 506 S N -0.777 114.777 115.700 -0.244 0.000 2.453 506 S HA -0.164 4.326 4.470 0.035 0.000 0.231 506 S C 1.569 176.017 174.600 -0.253 0.000 1.005 506 S CA 1.295 59.362 58.200 -0.223 0.000 0.949 506 S CB -0.742 62.319 63.200 -0.232 0.000 0.774 506 S HN 0.686 nan 8.310 nan 0.000 0.510 507 H N 0.922 119.834 119.070 -0.264 0.000 2.524 507 H HA 0.281 4.858 4.556 0.035 0.000 0.282 507 H C 0.268 175.529 175.328 -0.112 0.000 1.016 507 H CA 0.589 56.530 56.048 -0.179 0.000 1.270 507 H CB -0.257 29.407 29.762 -0.164 0.000 1.394 507 H HN 0.233 nan 8.280 nan 0.000 0.568 508 V N 2.708 122.596 119.914 -0.044 0.000 2.421 508 V HA -0.076 4.065 4.120 0.035 0.000 0.271 508 V C 1.562 177.637 176.094 -0.032 0.000 1.031 508 V CA 0.809 63.088 62.300 -0.035 0.000 1.032 508 V CB 0.721 32.490 31.823 -0.090 0.000 1.009 508 V HN 0.600 nan 8.190 nan 0.000 0.477 509 T N 1.410 115.962 114.554 -0.003 0.000 2.857 509 T HA -0.104 4.267 4.350 0.035 0.000 0.266 509 T C 1.015 175.710 174.700 -0.008 0.000 1.048 509 T CA 0.487 62.581 62.100 -0.009 0.000 1.139 509 T CB -0.178 68.692 68.868 0.004 0.000 0.874 509 T HN 0.536 nan 8.240 nan 0.000 0.455 510 N N 1.943 120.645 118.700 0.003 0.000 2.452 510 N HA -0.005 4.756 4.740 0.035 0.000 0.266 510 N C 0.856 176.366 175.510 0.000 0.000 1.175 510 N CA 0.165 53.219 53.050 0.006 0.000 0.945 510 N CB 1.232 39.729 38.487 0.017 0.000 1.063 510 N HN 0.550 nan 8.380 nan 0.000 0.472 511 E N 2.560 122.759 120.200 -0.002 0.000 2.107 511 E HA -0.222 4.149 4.350 0.035 0.000 0.191 511 E C 1.152 177.755 176.600 0.005 0.000 0.982 511 E CA 0.874 57.272 56.400 -0.004 0.000 0.809 511 E CB 0.216 29.913 29.700 -0.005 0.000 0.756 511 E HN 0.581 nan 8.360 nan 0.000 0.459 512 Q N 0.220 120.028 119.800 0.012 0.000 2.167 512 Q HA -0.098 4.263 4.340 0.035 0.000 0.202 512 Q C 1.935 177.954 176.000 0.031 0.000 0.970 512 Q CA 1.180 56.995 55.803 0.020 0.000 0.855 512 Q CB -0.029 28.721 28.738 0.020 0.000 0.911 512 Q HN 0.185 nan 8.270 nan 0.000 0.438 513 V N 0.522 120.456 119.914 0.034 0.000 2.427 513 V HA -0.241 3.900 4.120 0.035 0.000 0.248 513 V C 2.039 178.170 176.094 0.062 0.000 1.051 513 V CA 2.031 64.364 62.300 0.055 0.000 1.048 513 V CB -0.432 31.425 31.823 0.057 0.000 0.666 513 V HN 0.350 nan 8.190 nan 0.000 0.456 514 K N -0.002 120.412 120.400 0.024 0.000 2.097 514 K HA -0.145 4.196 4.320 0.035 0.000 0.205 514 K C 2.239 178.853 176.600 0.023 0.000 1.050 514 K CA 1.176 57.463 56.287 -0.000 0.000 0.938 514 K CB -0.173 32.303 32.500 -0.040 0.000 0.718 514 K HN 0.407 nan 8.250 nan 0.000 0.442 515 K N 0.813 121.230 120.400 0.027 0.000 2.097 515 K HA -0.090 4.250 4.320 0.035 0.000 0.205 515 K C 1.695 178.328 176.600 0.055 0.000 1.050 515 K CA 1.370 57.678 56.287 0.034 0.000 0.938 515 K CB -0.126 32.390 32.500 0.026 0.000 0.718 515 K HN 0.236 nan 8.250 nan 0.000 0.442 516 N N 0.184 118.924 118.700 0.066 0.000 2.244 516 N HA -0.131 4.630 4.740 0.035 0.000 0.183 516 N C 1.692 177.277 175.510 0.126 0.000 1.016 516 N CA 0.721 53.823 53.050 0.085 0.000 0.866 516 N CB 0.095 38.631 38.487 0.081 0.000 0.980 516 N HN -0.075 nan 8.380 nan 0.000 0.430 517 V N 1.692 121.699 119.914 0.153 0.000 2.307 517 V HA -0.182 3.959 4.120 0.035 0.000 0.245 517 V C 2.189 178.390 176.094 0.180 0.000 1.045 517 V CA 1.355 63.792 62.300 0.227 0.000 1.024 517 V CB -0.495 31.485 31.823 0.261 0.000 0.651 517 V HN 0.302 nan 8.190 nan 0.000 0.449 518 L N -0.167 121.123 121.223 0.113 0.000 2.131 518 L HA -0.203 4.157 4.340 0.035 0.000 0.210 518 L C 2.588 179.513 176.870 0.091 0.000 1.092 518 L CA 1.783 56.676 54.840 0.088 0.000 0.759 518 L CB -0.547 41.543 42.059 0.052 0.000 0.903 518 L HN 0.445 nan 8.230 nan 0.000 0.435 519 E N -0.313 119.939 120.200 0.086 0.000 2.077 519 E HA -0.230 4.141 4.350 0.035 0.000 0.193 519 E C 2.211 178.859 176.600 0.080 0.000 0.989 519 E CA 1.011 57.454 56.400 0.071 0.000 0.800 519 E CB 0.200 29.938 29.700 0.062 0.000 0.746 519 E HN 0.448 nan 8.360 nan 0.000 0.452 520 Q N 0.132 120.010 119.800 0.129 0.000 2.123 520 Q HA -0.069 4.292 4.340 0.035 0.000 0.199 520 Q C 2.451 178.568 176.000 0.195 0.000 0.966 520 Q CA 0.673 56.584 55.803 0.180 0.000 0.845 520 Q CB -0.150 28.733 28.738 0.240 0.000 0.907 520 Q HN 0.384 nan 8.270 nan 0.000 0.439 521 L N 1.007 122.352 121.223 0.203 0.000 2.083 521 L HA -0.196 4.165 4.340 0.035 0.000 0.209 521 L C 2.183 179.141 176.870 0.147 0.000 1.083 521 L CA 1.097 56.065 54.840 0.214 0.000 0.752 521 L CB -0.425 41.755 42.059 0.202 0.000 0.899 521 L HN 0.238 nan 8.230 nan 0.000 0.433 522 N N 0.462 119.232 118.700 0.116 0.000 2.166 522 N HA -0.189 4.571 4.740 0.035 0.000 0.186 522 N C 1.722 177.339 175.510 0.178 0.000 1.019 522 N CA 1.346 54.471 53.050 0.125 0.000 0.856 522 N CB 0.063 38.607 38.487 0.095 0.000 0.993 522 N HN 0.169 nan 8.380 nan 0.000 0.426 523 K N -0.311 120.116 120.400 0.046 0.000 2.148 523 K HA -0.015 4.326 4.320 0.035 0.000 0.204 523 K C 1.796 178.451 176.600 0.092 0.000 1.050 523 K CA 0.923 57.148 56.287 -0.103 0.000 0.942 523 K CB 0.013 32.130 32.500 -0.639 0.000 0.724 523 K HN 0.306 nan 8.250 nan 0.000 0.446 524 I N -0.652 120.012 120.570 0.157 0.000 2.235 524 I HA -0.115 4.076 4.170 0.035 0.000 0.241 524 I C 0.958 177.171 176.117 0.161 0.000 1.085 524 I CA 0.460 61.859 61.300 0.166 0.000 1.378 524 I CB 0.273 38.285 38.000 0.019 0.000 1.076 524 I HN -0.072 nan 8.210 nan 0.000 0.415 525 S N -0.592 115.145 115.700 0.062 0.000 2.543 525 S HA 0.179 4.670 4.470 0.035 0.000 0.273 525 S C 0.183 174.688 174.600 -0.158 0.000 1.152 525 S CA -0.780 57.279 58.200 -0.235 0.000 0.910 525 S CB 1.108 64.153 63.200 -0.258 0.000 1.105 525 S HN 0.255 nan 8.310 nan 0.000 0.465 526 N N 2.510 121.035 118.700 -0.292 0.000 2.142 526 N HA -0.149 4.612 4.740 0.035 0.000 0.186 526 N C 1.052 176.522 175.510 -0.067 0.000 1.023 526 N CA 1.582 54.593 53.050 -0.066 0.000 0.852 526 N CB -0.176 38.301 38.487 -0.018 0.000 0.998 526 N HN 0.733 nan 8.380 nan 0.000 0.424 527 D N 0.274 120.607 120.400 -0.112 0.000 2.117 527 D HA -0.098 4.562 4.640 0.035 0.000 0.197 527 D C 2.022 178.292 176.300 -0.050 0.000 0.987 527 D CA 0.714 54.681 54.000 -0.055 0.000 0.829 527 D CB 0.010 40.791 40.800 -0.033 0.000 0.961 527 D HN 0.056 nan 8.370 nan 0.000 0.460 528 V N 0.645 120.490 119.914 -0.114 0.000 2.407 528 V HA -0.204 3.937 4.120 0.035 0.000 0.248 528 V C 2.531 178.595 176.094 -0.051 0.000 1.055 528 V CA 1.724 63.938 62.300 -0.144 0.000 1.049 528 V CB -0.877 30.766 31.823 -0.301 0.000 0.662 528 V HN 0.302 nan 8.190 nan 0.000 0.455 529 A N -0.270 122.540 122.820 -0.017 0.000 1.873 529 A HA -0.207 4.133 4.320 0.035 0.000 0.215 529 A C 2.320 179.911 177.584 0.012 0.000 1.186 529 A CA 1.810 53.859 52.037 0.020 0.000 0.616 529 A CB -0.423 18.603 19.000 0.044 0.000 0.823 529 A HN 0.501 nan 8.150 nan 0.000 0.442 530 K N -0.577 119.827 120.400 0.006 0.000 2.057 530 K HA -0.138 4.203 4.320 0.035 0.000 0.207 530 K C 2.219 178.822 176.600 0.006 0.000 1.049 530 K CA 1.613 57.904 56.287 0.008 0.000 0.931 530 K CB -0.199 32.306 32.500 0.007 0.000 0.714 530 K HN 0.393 nan 8.250 nan 0.000 0.440 531 R N 0.305 120.807 120.500 0.004 0.000 2.148 531 R HA -0.033 4.328 4.340 0.035 0.000 0.223 531 R C 2.153 178.457 176.300 0.007 0.000 1.088 531 R CA 0.575 56.681 56.100 0.010 0.000 0.985 531 R CB 0.003 30.314 30.300 0.019 0.000 0.880 531 R HN -0.013 nan 8.270 nan 0.000 0.451 532 V N 0.322 120.235 119.914 -0.001 0.000 2.649 532 V HA -0.040 4.101 4.120 0.035 0.000 0.248 532 V C 2.233 178.319 176.094 -0.014 0.000 1.054 532 V CA 1.538 63.833 62.300 -0.009 0.000 1.073 532 V CB -0.087 31.728 31.823 -0.013 0.000 0.699 532 V HN 0.332 nan 8.190 nan 0.000 0.463 533 A N -0.141 122.677 122.820 -0.004 0.000 1.902 533 A HA -0.172 4.169 4.320 0.035 0.000 0.217 533 A C 2.445 180.025 177.584 -0.007 0.000 1.181 533 A CA 1.937 53.971 52.037 -0.005 0.000 0.623 533 A CB -0.724 18.279 19.000 0.005 0.000 0.818 533 A HN 0.324 nan 8.150 nan 0.000 0.443 534 V N -0.138 119.776 119.914 -0.000 0.000 2.392 534 V HA -0.189 3.951 4.120 0.035 0.000 0.249 534 V C 2.691 178.784 176.094 -0.001 0.000 1.059 534 V CA 2.343 64.645 62.300 0.002 0.000 1.051 534 V CB -0.686 31.142 31.823 0.008 0.000 0.658 534 V HN 0.591 nan 8.190 nan 0.000 0.455 535 A N -0.540 122.278 122.820 -0.003 0.000 1.968 535 A HA -0.002 4.338 4.320 0.035 0.000 0.217 535 A C 2.027 179.595 177.584 -0.025 0.000 1.169 535 A CA 1.663 53.697 52.037 -0.006 0.000 0.638 535 A CB -0.430 18.571 19.000 0.002 0.000 0.812 535 A HN 0.594 nan 8.150 nan 0.000 0.446 536 L N -1.250 119.952 121.223 -0.035 0.000 2.554 536 L HA 0.179 4.540 4.340 0.035 0.000 0.226 536 L C 1.651 178.502 176.870 -0.032 0.000 1.137 536 L CA 0.489 55.300 54.840 -0.047 0.000 0.863 536 L CB -0.337 41.688 42.059 -0.057 0.000 0.985 536 L HN 0.544 nan 8.230 nan 0.000 0.451 537 G N 1.015 109.803 108.800 -0.020 0.000 2.160 537 G HA2 -0.276 3.705 3.960 0.035 0.000 0.251 537 G HA3 -0.276 3.705 3.960 0.035 0.000 0.251 537 G C 0.002 174.895 174.900 -0.010 0.000 1.008 537 G CA 0.096 45.188 45.100 -0.013 0.000 0.724 537 G HN 0.251 nan 8.290 nan 0.000 0.514 538 L N -0.602 120.615 121.223 -0.010 0.000 2.330 538 L HA 0.592 4.953 4.340 0.035 0.000 0.271 538 L C 0.613 177.484 176.870 0.002 0.000 1.013 538 L CA -1.054 53.784 54.840 -0.004 0.000 0.816 538 L CB 1.727 43.783 42.059 -0.006 0.000 1.287 538 L HN 0.228 nan 8.230 nan 0.000 0.435 539 E N 1.463 121.666 120.200 0.005 0.000 2.257 539 E HA 0.349 4.719 4.350 0.035 0.000 0.278 539 E C -0.382 176.226 176.600 0.013 0.000 1.049 539 E CA -0.431 55.975 56.400 0.009 0.000 0.876 539 E CB 1.146 30.852 29.700 0.009 0.000 1.035 539 E HN 0.608 nan 8.360 nan 0.000 0.419 540 A N 5.622 128.452 122.820 0.016 0.000 2.407 540 A HA 0.334 4.675 4.320 0.035 0.000 0.248 540 A C -2.117 175.483 177.584 0.027 0.000 1.082 540 A CA -1.193 50.858 52.037 0.022 0.000 0.785 540 A CB -0.073 18.941 19.000 0.023 0.000 1.020 540 A HN 0.563 nan 8.150 nan 0.000 0.489 541 P HA 0.177 nan 4.420 nan 0.000 0.272 541 P C -0.395 176.929 177.300 0.040 0.000 1.240 541 P CA -0.294 62.826 63.100 0.034 0.000 0.791 541 P CB 0.344 32.066 31.700 0.037 0.000 0.978 542 Q N 1.043 120.864 119.800 0.034 0.000 2.373 542 Q HA 0.186 4.547 4.340 0.035 0.000 0.255 542 Q C -1.972 174.062 176.000 0.057 0.000 0.980 542 Q CA -1.474 54.353 55.803 0.039 0.000 0.882 542 Q CB -0.597 28.157 28.738 0.026 0.000 1.249 542 Q HN 0.331 nan 8.270 nan 0.000 0.438 543 P HA -0.090 nan 4.420 nan 0.000 0.264 543 P C -1.015 176.315 177.300 0.050 0.000 1.183 543 P CA 0.420 63.608 63.100 0.147 0.000 0.763 543 P CB 0.408 32.214 31.700 0.176 0.000 0.807 544 D N 3.437 123.823 120.400 -0.024 0.000 2.408 544 D HA 0.199 4.860 4.640 0.035 0.000 0.261 544 D C -1.999 173.875 176.300 -0.711 0.000 1.190 544 D CA -2.230 51.629 54.000 -0.235 0.000 0.910 544 D CB 0.677 41.382 40.800 -0.159 0.000 1.097 544 D HN 0.137 nan 8.370 nan 0.000 0.522 545 P HA 0.062 nan 4.420 nan 0.000 0.255 545 P C 0.811 177.790 177.300 -0.535 0.000 1.357 545 P CA 0.020 62.651 63.100 -0.783 0.000 0.839 545 P CB 0.318 31.890 31.700 -0.214 0.000 1.356 546 T N -0.990 113.256 114.554 -0.514 0.000 2.746 546 T HA -0.136 4.235 4.350 0.035 0.000 0.267 546 T C 0.874 175.239 174.700 -0.558 0.000 1.039 546 T CA 1.655 63.447 62.100 -0.513 0.000 1.142 546 T CB -0.610 67.890 68.868 -0.612 0.000 0.866 546 T HN 0.269 nan 8.240 nan 0.000 0.444 547 Y N -0.847 119.356 120.300 -0.162 0.000 2.557 547 Y HA 0.362 4.933 4.550 0.035 0.000 0.247 547 Y C 0.199 176.251 175.900 0.253 0.000 1.164 547 Y CA -1.266 56.869 58.100 0.058 0.000 1.218 547 Y CB 0.038 38.562 38.460 0.106 0.000 1.210 547 Y HN 0.232 nan 8.280 nan 0.000 0.529 548 Y N 1.593 121.998 120.300 0.175 0.000 2.411 548 Y HA 0.285 4.855 4.550 0.034 0.000 0.333 548 Y C 0.520 176.532 175.900 0.187 0.000 1.186 548 Y CA -0.287 57.885 58.100 0.120 0.000 1.381 548 Y CB 0.346 38.840 38.460 0.056 0.000 1.273 548 Y HN 0.277 nan 8.280 nan 0.000 0.546 549 H N -1.431 117.781 119.070 0.236 0.000 2.967 549 H HA 0.367 4.944 4.556 0.034 0.000 0.318 549 H C -1.716 173.681 175.328 0.116 0.000 1.375 549 H CA -1.252 54.887 56.048 0.151 0.000 1.132 549 H CB 0.777 30.620 29.762 0.135 0.000 1.848 549 H HN 0.519 nan 8.280 nan 0.000 0.524 550 N N -0.257 118.558 118.700 0.191 0.000 2.204 550 N HA 0.110 4.871 4.740 0.035 0.000 0.219 550 N C -0.703 174.910 175.510 0.172 0.000 1.151 550 N CA -0.538 52.575 53.050 0.105 0.000 0.867 550 N CB 0.288 38.824 38.487 0.082 0.000 1.043 550 N HN 0.363 nan 8.380 nan 0.000 0.516 551 N N 1.383 120.307 118.700 0.373 0.000 2.454 551 N HA 0.086 4.847 4.740 0.035 0.000 0.254 551 N C -0.234 175.411 175.510 0.224 0.000 1.228 551 N CA 0.066 53.289 53.050 0.288 0.000 0.900 551 N CB 0.921 39.578 38.487 0.284 0.000 1.089 551 N HN -0.020 nan 8.380 nan 0.000 0.449 552 V N -1.944 118.057 119.914 0.145 0.000 3.001 552 V HA 0.835 4.975 4.120 0.035 0.000 0.314 552 V C 0.159 176.328 176.094 0.124 0.000 1.099 552 V CA -0.720 61.649 62.300 0.114 0.000 0.989 552 V CB 1.874 33.730 31.823 0.053 0.000 1.040 552 V HN 0.592 nan 8.190 nan 0.000 0.434 553 T N 1.067 115.706 114.554 0.142 0.000 2.887 553 T HA 0.540 4.911 4.350 0.035 0.000 0.292 553 T C -0.794 173.980 174.700 0.123 0.000 1.087 553 T CA -0.801 61.402 62.100 0.172 0.000 1.009 553 T CB 1.995 71.062 68.868 0.331 0.000 1.203 553 T HN 0.988 nan 8.240 nan 0.000 0.518 554 R N 0.275 120.848 120.500 0.122 0.000 2.407 554 R HA 0.503 4.864 4.340 0.035 0.000 0.303 554 R C 0.743 177.103 176.300 0.099 0.000 0.981 554 R CA 0.749 56.899 56.100 0.084 0.000 0.905 554 R CB 0.844 31.180 30.300 0.061 0.000 1.099 554 R HN 1.069 nan 8.270 nan 0.000 0.459 555 G N 2.117 110.965 108.800 0.079 0.000 2.160 555 G HA2 -0.258 3.723 3.960 0.035 0.000 0.244 555 G HA3 -0.258 3.723 3.960 0.035 0.000 0.244 555 G C 0.331 175.319 174.900 0.145 0.000 1.022 555 G CA 0.380 45.541 45.100 0.101 0.000 0.741 555 G HN 0.621 nan 8.290 nan 0.000 0.508 556 V N -2.899 117.076 119.914 0.101 0.000 3.621 556 V HA 0.621 4.761 4.120 0.035 0.000 0.285 556 V C 1.030 177.111 176.094 -0.022 0.000 1.346 556 V CA 0.841 63.199 62.300 0.095 0.000 1.104 556 V CB 0.456 32.281 31.823 0.002 0.000 0.913 556 V HN 0.345 nan 8.190 nan 0.000 0.432 557 S N -0.259 115.440 115.700 -0.001 0.000 2.730 557 S HA 0.740 5.231 4.470 0.035 0.000 0.284 557 S C 0.547 175.162 174.600 0.024 0.000 1.153 557 S CA -0.304 57.888 58.200 -0.014 0.000 0.995 557 S CB 2.046 65.235 63.200 -0.017 0.000 1.058 557 S HN 0.326 nan 8.310 nan 0.000 0.552 558 I N -1.228 119.344 120.570 0.003 0.000 3.685 558 I HA 0.128 4.319 4.170 0.035 0.000 0.258 558 I C 0.877 176.901 176.117 -0.155 0.000 1.135 558 I CA 0.240 61.461 61.300 -0.131 0.000 1.436 558 I CB -0.280 37.524 38.000 -0.325 0.000 1.670 558 I HN 0.499 nan 8.210 nan 0.000 0.424 559 F N 1.931 121.911 119.950 0.049 0.000 2.333 559 F HA -0.125 4.423 4.527 0.035 0.000 0.300 559 F C 2.226 178.045 175.800 0.031 0.000 1.083 559 F CA 0.926 58.963 58.000 0.061 0.000 1.395 559 F CB -0.813 38.250 39.000 0.104 0.000 1.056 559 F HN 0.166 nan 8.300 nan 0.000 0.529 560 N N 0.456 119.257 118.700 0.169 0.000 2.091 560 N HA -0.180 4.581 4.740 0.035 0.000 0.193 560 N C 0.569 176.113 175.510 0.057 0.000 1.021 560 N CA 1.187 54.289 53.050 0.086 0.000 0.862 560 N CB -0.129 38.385 38.487 0.046 0.000 1.018 560 N HN 0.222 nan 8.380 nan 0.000 0.429 561 E N -0.295 119.928 120.200 0.038 0.000 2.250 561 E HA 0.235 4.606 4.350 0.035 0.000 0.269 561 E C -0.193 176.416 176.600 0.016 0.000 1.018 561 E CA -0.474 55.938 56.400 0.021 0.000 0.873 561 E CB 1.494 31.198 29.700 0.008 0.000 1.134 561 E HN 0.258 nan 8.360 nan 0.000 0.403 562 S N 0.585 116.294 115.700 0.014 0.000 2.654 562 S HA 0.470 4.960 4.470 0.035 0.000 0.283 562 S C -0.043 174.558 174.600 0.002 0.000 1.180 562 S CA -0.880 57.329 58.200 0.016 0.000 1.021 562 S CB 0.718 63.932 63.200 0.024 0.000 1.018 562 S HN 0.224 nan 8.310 nan 0.000 0.532 563 L N 2.918 124.143 121.223 0.003 0.000 2.416 563 L HA 0.343 4.704 4.340 0.035 0.000 0.272 563 L C -0.991 175.880 176.870 0.001 0.000 1.161 563 L CA -1.553 53.280 54.840 -0.011 0.000 0.845 563 L CB -0.011 42.043 42.059 -0.009 0.000 1.119 563 L HN 0.580 nan 8.230 nan 0.000 0.464 564 P HA -0.031 nan 4.420 nan 0.000 0.225 564 P C 0.320 177.614 177.300 -0.010 0.000 1.156 564 P CA 0.635 63.727 63.100 -0.013 0.000 0.787 564 P CB 0.484 32.168 31.700 -0.028 0.000 0.802 565 T N -0.361 114.186 114.554 -0.012 0.000 2.916 565 T HA 0.544 4.915 4.350 0.035 0.000 0.305 565 T C 0.097 174.812 174.700 0.024 0.000 1.119 565 T CA -0.821 61.277 62.100 -0.004 0.000 1.008 565 T CB 1.027 69.878 68.868 -0.029 0.000 1.129 565 T HN -0.023 nan 8.240 nan 0.000 0.480 566 I N 1.273 121.866 120.570 0.038 0.000 3.856 566 I HA 0.722 4.913 4.170 0.035 0.000 0.330 566 I C 0.597 176.751 176.117 0.062 0.000 1.546 566 I CA -0.895 60.447 61.300 0.069 0.000 1.132 566 I CB 0.002 38.048 38.000 0.077 0.000 1.157 566 I HN 0.503 nan 8.210 nan 0.000 0.440 567 A N 1.466 124.308 122.820 0.037 0.000 2.371 567 A HA 0.492 4.833 4.320 0.035 0.000 0.257 567 A C 1.487 179.095 177.584 0.040 0.000 1.089 567 A CA 0.689 52.742 52.037 0.027 0.000 0.794 567 A CB 0.065 19.065 19.000 0.000 0.000 1.029 567 A HN 1.041 nan 8.150 nan 0.000 0.488 568 T N -1.281 113.298 114.554 0.042 0.000 6.974 568 T HA -0.194 4.177 4.350 0.035 0.000 0.287 568 T C 0.058 174.810 174.700 0.087 0.000 2.146 568 T CA 1.403 63.534 62.100 0.051 0.000 3.451 568 T CB -2.435 66.449 68.868 0.027 0.000 1.630 568 T HN 0.890 nan 8.240 nan 0.000 1.173 569 L N 1.599 122.887 121.223 0.109 0.000 2.464 569 L HA 0.550 4.911 4.340 0.035 0.000 0.264 569 L C 1.193 178.157 176.870 0.155 0.000 1.199 569 L CA 0.320 55.252 54.840 0.152 0.000 0.818 569 L CB 0.470 42.630 42.059 0.169 0.000 1.102 569 L HN 0.293 nan 8.230 nan 0.000 0.473 570 R N 1.296 121.918 120.500 0.204 0.000 2.387 570 R HA 0.666 5.026 4.340 0.035 0.000 0.314 570 R C -1.477 174.976 176.300 0.255 0.000 0.958 570 R CA -0.766 55.485 56.100 0.252 0.000 0.846 570 R CB 1.793 32.288 30.300 0.325 0.000 1.147 570 R HN 0.307 nan 8.270 nan 0.000 0.447 571 V N 1.524 121.537 119.914 0.164 0.000 2.540 571 V HA 0.490 4.630 4.120 0.035 0.000 0.302 571 V C 0.314 176.250 176.094 -0.263 0.000 1.035 571 V CA -0.918 61.389 62.300 0.011 0.000 0.873 571 V CB 2.013 33.832 31.823 -0.006 0.000 0.992 571 V HN 0.947 nan 8.190 nan 0.000 0.428 572 G N 3.175 111.589 108.800 -0.643 0.000 2.377 572 G HA2 0.522 4.503 3.960 0.035 0.000 0.316 572 G HA3 0.522 4.503 3.960 0.035 0.000 0.316 572 G C -0.665 173.910 174.900 -0.542 0.000 1.115 572 G CA -0.334 44.015 45.100 -1.252 0.000 0.952 572 G HN 0.550 nan 8.290 nan 0.000 0.441 573 V N 4.450 124.138 119.914 -0.376 0.000 2.339 573 V HA 0.143 4.284 4.120 0.035 0.000 0.261 573 V C -0.022 175.963 176.094 -0.181 0.000 1.058 573 V CA -0.631 61.547 62.300 -0.203 0.000 0.897 573 V CB 0.742 32.480 31.823 -0.141 0.000 1.052 573 V HN 0.501 nan 8.190 nan 0.000 0.480 574 L N 5.275 126.439 121.223 -0.097 0.000 2.407 574 L HA 0.391 4.752 4.340 0.035 0.000 0.282 574 L C 0.535 177.433 176.870 0.047 0.000 1.110 574 L CA 1.204 56.041 54.840 -0.004 0.000 0.863 574 L CB 0.808 42.977 42.059 0.184 0.000 1.207 574 L HN 0.707 nan 8.230 nan 0.000 0.454 575 S N 1.793 117.484 115.700 -0.015 0.000 2.810 575 S HA 0.809 5.299 4.470 0.035 0.000 0.315 575 S C -0.568 174.076 174.600 0.073 0.000 1.138 575 S CA -0.421 57.789 58.200 0.017 0.000 0.889 575 S CB 1.857 65.027 63.200 -0.050 0.000 1.236 575 S HN 0.578 nan 8.310 nan 0.000 0.548 576 T N -0.238 114.349 114.554 0.055 0.000 2.916 576 T HA 0.445 4.816 4.350 0.035 0.000 0.305 576 T C 0.952 175.656 174.700 0.007 0.000 1.119 576 T CA 0.140 62.288 62.100 0.079 0.000 1.008 576 T CB 1.178 70.118 68.868 0.119 0.000 1.129 576 T HN 0.790 nan 8.240 nan 0.000 0.480 577 T N 1.076 115.616 114.554 -0.023 0.000 3.072 577 T HA 0.225 4.596 4.350 0.035 0.000 0.266 577 T C 0.535 175.249 174.700 0.023 0.000 1.127 577 T CA 0.595 62.645 62.100 -0.083 0.000 1.107 577 T CB -0.203 68.511 68.868 -0.256 0.000 0.910 577 T HN 0.474 nan 8.240 nan 0.000 0.513 578 K N 0.638 121.074 120.400 0.059 0.000 2.138 578 K HA 0.536 4.877 4.320 0.035 0.000 0.263 578 K C 0.855 177.484 176.600 0.047 0.000 0.965 578 K CA -0.276 56.050 56.287 0.066 0.000 0.868 578 K CB 1.486 34.036 32.500 0.082 0.000 1.083 578 K HN 0.170 nan 8.250 nan 0.000 0.443 579 G N 1.218 110.042 108.800 0.039 0.000 2.143 579 G HA2 -0.239 3.742 3.960 0.035 0.000 0.249 579 G HA3 -0.239 3.742 3.960 0.035 0.000 0.249 579 G C 0.631 175.544 174.900 0.020 0.000 0.981 579 G CA 0.265 45.383 45.100 0.029 0.000 0.665 579 G HN 1.130 nan 8.290 nan 0.000 0.528 580 G N -0.792 108.018 108.800 0.018 0.000 2.273 580 G HA2 -0.021 3.960 3.960 0.035 0.000 0.280 580 G HA3 -0.021 3.960 3.960 0.035 0.000 0.280 580 G C 1.119 176.021 174.900 0.003 0.000 1.047 580 G CA 1.492 46.597 45.100 0.009 0.000 0.869 580 G HN 1.905 nan 8.290 nan 0.000 0.502 581 S N -1.190 114.512 115.700 0.003 0.000 2.489 581 S HA 0.126 4.617 4.470 0.035 0.000 0.228 581 S C 2.406 176.998 174.600 -0.013 0.000 0.995 581 S CA 0.942 59.142 58.200 0.000 0.000 0.934 581 S CB -0.149 63.059 63.200 0.013 0.000 0.771 581 S HN 0.369 nan 8.310 nan 0.000 0.522 582 L N 1.832 123.042 121.223 -0.023 0.000 2.141 582 L HA -0.031 4.330 4.340 0.035 0.000 0.209 582 L C 1.924 178.778 176.870 -0.026 0.000 1.094 582 L CA 1.499 56.318 54.840 -0.035 0.000 0.763 582 L CB -1.510 40.520 42.059 -0.047 0.000 0.908 582 L HN 0.311 nan 8.230 nan 0.000 0.437 583 D N 0.256 120.646 120.400 -0.017 0.000 2.097 583 D HA -0.181 4.479 4.640 0.035 0.000 0.195 583 D C 2.179 178.471 176.300 -0.013 0.000 0.989 583 D CA 1.174 55.166 54.000 -0.012 0.000 0.827 583 D CB 0.092 40.888 40.800 -0.007 0.000 0.966 583 D HN 0.310 nan 8.370 nan 0.000 0.456 584 K N 0.542 120.934 120.400 -0.013 0.000 2.097 584 K HA 0.028 4.369 4.320 0.035 0.000 0.205 584 K C 2.144 178.732 176.600 -0.020 0.000 1.050 584 K CA 0.958 57.237 56.287 -0.014 0.000 0.938 584 K CB -0.033 32.460 32.500 -0.012 0.000 0.718 584 K HN 0.014 nan 8.250 nan 0.000 0.442 585 A N 1.999 124.803 122.820 -0.025 0.000 1.930 585 A HA -0.175 4.166 4.320 0.035 0.000 0.217 585 A C 1.877 179.440 177.584 -0.035 0.000 1.175 585 A CA 1.408 53.424 52.037 -0.035 0.000 0.627 585 A CB -0.216 18.757 19.000 -0.046 0.000 0.815 585 A HN 0.180 nan 8.150 nan 0.000 0.443 586 K N -0.358 120.024 120.400 -0.029 0.000 2.057 586 K HA 0.002 4.342 4.320 0.035 0.000 0.206 586 K C 2.295 178.884 176.600 -0.019 0.000 1.050 586 K CA 1.064 57.336 56.287 -0.024 0.000 0.935 586 K CB -0.289 32.199 32.500 -0.020 0.000 0.715 586 K HN 0.415 nan 8.250 nan 0.000 0.439 587 A N 1.326 124.136 122.820 -0.016 0.000 1.969 587 A HA -0.125 4.216 4.320 0.035 0.000 0.218 587 A C 2.059 179.634 177.584 -0.015 0.000 1.169 587 A CA 0.989 53.018 52.037 -0.013 0.000 0.635 587 A CB -0.374 18.620 19.000 -0.011 0.000 0.810 587 A HN 0.209 nan 8.150 nan 0.000 0.445 588 L N 0.063 121.274 121.223 -0.020 0.000 2.056 588 L HA -0.073 4.288 4.340 0.035 0.000 0.207 588 L C 2.273 179.128 176.870 -0.024 0.000 1.078 588 L CA 2.583 57.409 54.840 -0.023 0.000 0.749 588 L CB -0.564 41.478 42.059 -0.028 0.000 0.901 588 L HN 0.472 nan 8.230 nan 0.000 0.433 589 K N -0.482 119.902 120.400 -0.026 0.000 2.002 589 K HA -0.267 4.074 4.320 0.035 0.000 0.209 589 K C 2.108 178.700 176.600 -0.013 0.000 1.048 589 K CA 1.822 58.095 56.287 -0.023 0.000 0.930 589 K CB -0.222 32.262 32.500 -0.026 0.000 0.714 589 K HN 0.298 nan 8.250 nan 0.000 0.438 590 E N 0.271 120.464 120.200 -0.011 0.000 2.097 590 E HA -0.223 4.147 4.350 0.035 0.000 0.196 590 E C 2.221 178.818 176.600 -0.005 0.000 1.000 590 E CA 1.620 58.017 56.400 -0.006 0.000 0.804 590 E CB 0.101 29.798 29.700 -0.006 0.000 0.740 590 E HN 0.320 nan 8.360 nan 0.000 0.454 591 Q N -0.375 119.420 119.800 -0.008 0.000 2.049 591 Q HA -0.085 4.275 4.340 0.035 0.000 0.198 591 Q C 2.468 178.464 176.000 -0.007 0.000 0.971 591 Q CA 0.972 56.770 55.803 -0.008 0.000 0.833 591 Q CB -0.193 28.538 28.738 -0.012 0.000 0.896 591 Q HN 0.383 nan 8.270 nan 0.000 0.434 592 L N 0.770 121.988 121.223 -0.009 0.000 2.083 592 L HA -0.163 4.197 4.340 0.035 0.000 0.209 592 L C 2.131 179.005 176.870 0.005 0.000 1.083 592 L CA 1.051 55.889 54.840 -0.005 0.000 0.752 592 L CB -0.308 41.746 42.059 -0.009 0.000 0.899 592 L HN 0.216 nan 8.230 nan 0.000 0.433 593 E N -0.073 120.131 120.200 0.006 0.000 2.347 593 E HA -0.144 4.227 4.350 0.035 0.000 0.196 593 E C 1.820 178.427 176.600 0.010 0.000 1.008 593 E CA 0.404 56.812 56.400 0.012 0.000 0.852 593 E CB 0.133 29.840 29.700 0.012 0.000 0.783 593 E HN 0.369 nan 8.360 nan 0.000 0.505 594 K N 0.694 121.097 120.400 0.006 0.000 2.288 594 K HA -0.073 4.267 4.320 0.035 0.000 0.201 594 K C 0.898 177.502 176.600 0.006 0.000 1.048 594 K CA 0.667 56.957 56.287 0.005 0.000 0.956 594 K CB 0.152 32.653 32.500 0.002 0.000 0.746 594 K HN 0.022 nan 8.250 nan 0.000 0.461 595 D N -0.147 120.258 120.400 0.008 0.000 2.328 595 D HA 0.077 4.738 4.640 0.035 0.000 0.221 595 D C 0.815 177.125 176.300 0.016 0.000 1.072 595 D CA 0.316 54.322 54.000 0.010 0.000 0.850 595 D CB 0.551 41.357 40.800 0.010 0.000 0.922 595 D HN 0.378 nan 8.370 nan 0.000 0.516 596 G N 0.428 109.237 108.800 0.016 0.000 2.159 596 G HA2 -0.248 3.733 3.960 0.035 0.000 0.227 596 G HA3 -0.248 3.733 3.960 0.035 0.000 0.227 596 G C 0.298 175.216 174.900 0.030 0.000 0.986 596 G CA -0.141 44.971 45.100 0.019 0.000 0.651 596 G HN 0.309 nan 8.290 nan 0.000 0.523 597 L N 0.225 121.469 121.223 0.035 0.000 2.417 597 L HA 0.448 4.809 4.340 0.035 0.000 0.268 597 L C 0.767 177.669 176.870 0.052 0.000 1.158 597 L CA -0.354 54.516 54.840 0.051 0.000 0.819 597 L CB 0.804 42.892 42.059 0.049 0.000 1.112 597 L HN 0.013 nan 8.230 nan 0.000 0.458 598 K N 2.159 122.603 120.400 0.072 0.000 2.263 598 K HA 0.387 4.727 4.320 0.035 0.000 0.282 598 K C -0.987 175.668 176.600 0.092 0.000 1.089 598 K CA -0.363 55.972 56.287 0.079 0.000 0.907 598 K CB 1.191 33.746 32.500 0.093 0.000 1.148 598 K HN 0.250 nan 8.250 nan 0.000 0.470 599 V N 2.549 122.498 119.914 0.059 0.000 2.532 599 V HA 0.303 4.444 4.120 0.035 0.000 0.295 599 V C 0.024 176.137 176.094 0.032 0.000 1.041 599 V CA -0.610 61.707 62.300 0.030 0.000 0.926 599 V CB 1.854 33.675 31.823 -0.003 0.000 0.992 599 V HN 0.691 nan 8.190 nan 0.000 0.457 600 T N 3.449 117.999 114.554 -0.006 0.000 2.864 600 T HA 0.384 4.755 4.350 0.035 0.000 0.299 600 T C -0.372 174.262 174.700 -0.110 0.000 1.011 600 T CA -0.345 61.759 62.100 0.007 0.000 0.975 600 T CB 1.288 70.275 68.868 0.197 0.000 0.962 600 T HN 0.334 nan 8.240 nan 0.000 0.448 601 V N 5.504 125.366 119.914 -0.086 0.000 2.470 601 V HA 0.342 4.483 4.120 0.035 0.000 0.276 601 V C 0.245 176.239 176.094 -0.167 0.000 1.040 601 V CA -0.313 61.912 62.300 -0.126 0.000 1.008 601 V CB 0.266 32.033 31.823 -0.094 0.000 0.990 601 V HN 0.763 nan 8.190 nan 0.000 0.477 602 I N 4.467 124.882 120.570 -0.257 0.000 2.404 602 I HA 0.798 4.988 4.170 0.035 0.000 0.293 602 I C 0.302 176.089 176.117 -0.549 0.000 0.992 602 I CA -0.201 60.846 61.300 -0.422 0.000 1.149 602 I CB 1.766 39.440 38.000 -0.543 0.000 1.315 602 I HN 0.739 nan 8.210 nan 0.000 0.446 603 A N 4.402 126.885 122.820 -0.562 0.000 2.524 603 A HA 0.577 4.918 4.320 0.035 0.000 0.289 603 A C 0.180 177.649 177.584 -0.192 0.000 1.248 603 A CA -0.461 51.354 52.037 -0.369 0.000 0.712 603 A CB 0.984 19.831 19.000 -0.256 0.000 1.312 603 A HN 0.655 nan 8.150 nan 0.000 0.441 604 E N -0.953 119.322 120.200 0.124 0.000 2.072 604 E HA 0.043 4.414 4.350 0.035 0.000 0.191 604 E C 0.018 176.828 176.600 0.349 0.000 0.985 604 E CA 2.352 58.993 56.400 0.401 0.000 0.801 604 E CB -0.218 29.784 29.700 0.504 0.000 0.750 604 E HN 0.596 nan 8.360 nan 0.000 0.452 605 Y N -3.093 117.280 120.300 0.121 0.000 2.638 605 Y HA 0.488 5.059 4.550 0.034 0.000 0.339 605 Y C -0.738 175.184 175.900 0.037 0.000 1.084 605 Y CA -1.459 56.689 58.100 0.079 0.000 1.068 605 Y CB 0.750 39.257 38.460 0.078 0.000 1.294 605 Y HN -0.300 nan 8.280 nan 0.000 0.480 606 L N 2.908 124.235 121.223 0.173 0.000 2.382 606 L HA 0.423 4.783 4.340 0.035 0.000 0.259 606 L C 0.617 177.524 176.870 0.061 0.000 1.291 606 L CA -0.120 54.757 54.840 0.061 0.000 1.176 606 L CB -0.938 41.172 42.059 0.086 0.000 1.373 606 L HN 0.816 nan 8.230 nan 0.000 0.426 607 A N 1.446 124.184 122.820 -0.137 0.000 2.251 607 A HA 0.317 4.658 4.320 0.035 0.000 0.278 607 A C 0.593 178.155 177.584 -0.035 0.000 1.206 607 A CA -0.351 51.631 52.037 -0.091 0.000 0.822 607 A CB 0.510 19.343 19.000 -0.277 0.000 1.187 607 A HN 0.401 nan 8.150 nan 0.000 0.504 608 S N -0.918 114.775 115.700 -0.012 0.000 2.481 608 S HA 0.423 4.913 4.470 0.035 0.000 0.282 608 S C 1.144 175.728 174.600 -0.027 0.000 1.243 608 S CA 0.910 59.106 58.200 -0.006 0.000 1.078 608 S CB -0.605 62.599 63.200 0.007 0.000 0.916 608 S HN 2.383 nan 8.310 nan 0.000 0.495 609 G N 3.106 111.892 108.800 -0.023 0.000 2.141 609 G HA2 -0.202 3.779 3.960 0.035 0.000 0.242 609 G HA3 -0.202 3.779 3.960 0.035 0.000 0.242 609 G C -0.068 174.803 174.900 -0.048 0.000 0.982 609 G CA 0.029 45.111 45.100 -0.030 0.000 0.662 609 G HN 0.943 nan 8.290 nan 0.000 0.527 610 V N 1.132 121.011 119.914 -0.058 0.000 2.394 610 V HA 0.445 4.585 4.120 0.035 0.000 0.282 610 V C 0.672 176.739 176.094 -0.046 0.000 1.031 610 V CA -0.153 62.099 62.300 -0.080 0.000 0.881 610 V CB 1.697 33.446 31.823 -0.123 0.000 0.982 610 V HN 0.194 nan 8.190 nan 0.000 0.451 611 D N 2.399 122.773 120.400 -0.043 0.000 2.324 611 D HA 0.079 4.740 4.640 0.035 0.000 0.212 611 D C 0.642 176.943 176.300 0.001 0.000 0.984 611 D CA 0.682 54.677 54.000 -0.008 0.000 0.885 611 D CB 0.913 41.719 40.800 0.009 0.000 0.996 611 D HN 0.624 nan 8.370 nan 0.000 0.505 612 Q N 0.500 120.284 119.800 -0.026 0.000 2.340 612 Q HA 0.291 4.652 4.340 0.035 0.000 0.276 612 Q C -1.056 174.898 176.000 -0.077 0.000 1.048 612 Q CA -0.525 55.270 55.803 -0.013 0.000 0.832 612 Q CB 2.076 30.840 28.738 0.043 0.000 1.373 612 Q HN 0.067 nan 8.270 nan 0.000 0.409 613 T N -0.454 114.080 114.554 -0.033 0.000 2.849 613 T HA 0.240 4.611 4.350 0.035 0.000 0.284 613 T C 0.705 175.365 174.700 -0.067 0.000 1.004 613 T CA -0.200 61.879 62.100 -0.035 0.000 1.021 613 T CB 0.410 69.326 68.868 0.081 0.000 1.013 613 T HN 0.630 nan 8.240 nan 0.000 0.527 614 Y N 0.283 120.542 120.300 -0.068 0.000 2.274 614 Y HA -0.104 4.466 4.550 0.035 0.000 0.290 614 Y C 3.248 179.115 175.900 -0.056 0.000 1.145 614 Y CA 1.521 59.501 58.100 -0.199 0.000 1.203 614 Y CB -0.208 37.833 38.460 -0.697 0.000 0.984 614 Y HN 0.764 nan 8.280 nan 0.000 0.533 615 S N -0.253 115.579 115.700 0.221 0.000 2.368 615 S HA -0.192 4.299 4.470 0.035 0.000 0.225 615 S C 2.051 176.721 174.600 0.116 0.000 1.030 615 S CA 1.136 59.453 58.200 0.194 0.000 0.999 615 S CB -0.381 62.936 63.200 0.195 0.000 0.844 615 S HN 0.431 nan 8.310 nan 0.000 0.459 616 A N 0.169 123.043 122.820 0.090 0.000 2.251 616 A HA 0.692 5.032 4.320 0.035 0.000 0.209 616 A C 0.860 178.475 177.584 0.052 0.000 1.187 616 A CA 0.494 52.566 52.037 0.059 0.000 0.823 616 A CB -0.422 18.608 19.000 0.049 0.000 0.846 616 A HN 0.621 nan 8.150 nan 0.000 0.486 617 A N -0.293 122.570 122.820 0.072 0.000 2.293 617 A HA 0.595 4.936 4.320 0.035 0.000 0.302 617 A C -0.412 177.231 177.584 0.099 0.000 1.119 617 A CA -0.403 51.695 52.037 0.102 0.000 0.823 617 A CB 0.602 19.679 19.000 0.129 0.000 1.097 617 A HN 0.318 nan 8.150 nan 0.000 0.491 618 D N -0.064 120.387 120.400 0.085 0.000 2.654 618 D HA 0.442 5.103 4.640 0.035 0.000 0.231 618 D C 0.626 176.993 176.300 0.111 0.000 1.239 618 D CA 0.156 54.204 54.000 0.079 0.000 0.790 618 D CB 2.179 42.993 40.800 0.025 0.000 1.480 618 D HN 0.453 nan 8.370 nan 0.000 0.442 619 A N 1.235 124.170 122.820 0.190 0.000 2.015 619 A HA -0.112 4.229 4.320 0.035 0.000 0.219 619 A C 1.883 179.653 177.584 0.309 0.000 1.163 619 A CA 2.408 54.618 52.037 0.288 0.000 0.646 619 A CB -0.804 18.267 19.000 0.118 0.000 0.806 619 A HN 0.705 nan 8.150 nan 0.000 0.448 620 T N -2.252 112.447 114.554 0.241 0.000 2.881 620 T HA 0.066 4.437 4.350 0.035 0.000 0.270 620 T C 1.741 176.305 174.700 -0.227 0.000 1.068 620 T CA 1.384 63.466 62.100 -0.030 0.000 1.131 620 T CB -0.406 68.330 68.868 -0.220 0.000 0.871 620 T HN 0.531 nan 8.240 nan 0.000 0.479 621 A N 0.374 123.003 122.820 -0.318 0.000 2.119 621 A HA 0.428 4.769 4.320 0.035 0.000 0.216 621 A C 0.373 177.728 177.584 -0.382 0.000 1.152 621 A CA 0.061 51.846 52.037 -0.419 0.000 0.708 621 A CB -0.413 18.147 19.000 -0.734 0.000 0.805 621 A HN 0.500 nan 8.150 nan 0.000 0.460 622 F N -1.019 119.022 119.950 0.151 0.000 2.507 622 F HA 0.405 4.952 4.527 0.035 0.000 0.327 622 F C 0.694 176.575 175.800 0.135 0.000 1.068 622 F CA -1.497 56.587 58.000 0.140 0.000 0.965 622 F CB 1.032 40.094 39.000 0.104 0.000 1.192 622 F HN -0.034 nan 8.300 nan 0.000 0.476 623 D N 0.759 121.355 120.400 0.327 0.000 2.271 623 D HA 0.241 4.902 4.640 0.035 0.000 0.206 623 D C 0.291 176.675 176.300 0.141 0.000 0.967 623 D CA 0.785 54.893 54.000 0.180 0.000 0.867 623 D CB 0.531 41.458 40.800 0.212 0.000 0.960 623 D HN 0.437 nan 8.370 nan 0.000 0.509 624 A N 0.136 123.068 122.820 0.186 0.000 2.572 624 A HA 0.565 4.906 4.320 0.035 0.000 0.295 624 A C -1.257 176.379 177.584 0.087 0.000 1.072 624 A CA -0.549 51.570 52.037 0.137 0.000 0.691 624 A CB 2.009 21.079 19.000 0.118 0.000 1.291 624 A HN -0.112 nan 8.150 nan 0.000 0.404 625 V N 1.463 121.420 119.914 0.071 0.000 2.443 625 V HA 0.578 4.718 4.120 0.035 0.000 0.293 625 V C -0.601 175.501 176.094 0.012 0.000 1.021 625 V CA -0.606 61.701 62.300 0.012 0.000 0.848 625 V CB 1.250 33.111 31.823 0.064 0.000 0.998 625 V HN 0.927 nan 8.190 nan 0.000 0.424 626 V N 6.754 126.648 119.914 -0.034 0.000 2.409 626 V HA 0.551 4.692 4.120 0.035 0.000 0.291 626 V C -0.316 175.768 176.094 -0.018 0.000 1.020 626 V CA -0.315 61.975 62.300 -0.016 0.000 0.848 626 V CB 2.109 33.917 31.823 -0.026 0.000 0.990 626 V HN 0.629 nan 8.190 nan 0.000 0.430 627 V N 7.845 127.756 119.914 -0.005 0.000 2.408 627 V HA 0.555 4.695 4.120 0.035 0.000 0.267 627 V C 0.955 177.043 176.094 -0.011 0.000 1.047 627 V CA 0.117 62.422 62.300 0.009 0.000 0.937 627 V CB 0.905 32.694 31.823 -0.056 0.000 0.999 627 V HN 1.090 nan 8.190 nan 0.000 0.472 628 A N 4.210 127.033 122.820 0.004 0.000 2.425 628 A HA 0.296 4.637 4.320 0.035 0.000 0.242 628 A C 0.437 178.018 177.584 -0.004 0.000 1.077 628 A CA -0.245 51.788 52.037 -0.007 0.000 0.781 628 A CB 0.156 19.150 19.000 -0.010 0.000 1.020 628 A HN 0.887 nan 8.150 nan 0.000 0.494 629 E N 0.111 120.304 120.200 -0.012 0.000 2.384 629 E HA 0.357 4.727 4.350 0.035 0.000 0.266 629 E C 1.149 177.749 176.600 0.001 0.000 1.012 629 E CA 0.922 57.314 56.400 -0.013 0.000 0.901 629 E CB 0.118 29.810 29.700 -0.014 0.000 0.967 629 E HN 1.459 nan 8.360 nan 0.000 0.435 630 G N 2.759 111.559 108.800 0.001 0.000 2.143 630 G HA2 -0.304 3.677 3.960 0.035 0.000 0.249 630 G HA3 -0.304 3.677 3.960 0.035 0.000 0.249 630 G C 0.444 175.371 174.900 0.045 0.000 0.981 630 G CA 0.304 45.414 45.100 0.018 0.000 0.665 630 G HN 0.727 nan 8.290 nan 0.000 0.528 631 A N -0.621 122.235 122.820 0.059 0.000 2.545 631 A HA 0.646 4.987 4.320 0.035 0.000 0.277 631 A C 1.425 179.131 177.584 0.202 0.000 1.301 631 A CA 1.085 53.203 52.037 0.136 0.000 0.935 631 A CB 0.029 19.128 19.000 0.165 0.000 1.093 631 A HN 0.418 nan 8.150 nan 0.000 0.519 632 E N 0.471 120.729 120.200 0.097 0.000 2.230 632 E HA -0.136 4.235 4.350 0.035 0.000 0.192 632 E C 2.057 178.767 176.600 0.183 0.000 0.987 632 E CA 1.031 57.475 56.400 0.073 0.000 0.841 632 E CB -0.232 29.447 29.700 -0.036 0.000 0.783 632 E HN 0.771 nan 8.360 nan 0.000 0.481 633 R N 1.116 121.696 120.500 0.135 0.000 2.139 633 R HA -0.127 4.233 4.340 0.035 0.000 0.243 633 R C 1.988 178.363 176.300 0.125 0.000 1.145 633 R CA 1.717 57.884 56.100 0.111 0.000 0.976 633 R CB -1.079 29.272 30.300 0.084 0.000 0.866 633 R HN 0.300 nan 8.270 nan 0.000 0.449 634 V N -2.610 117.394 119.914 0.150 0.000 3.510 634 V HA 0.090 4.231 4.120 0.035 0.000 0.270 634 V C 1.036 177.050 176.094 -0.133 0.000 1.201 634 V CA 0.714 63.017 62.300 0.005 0.000 1.166 634 V CB -0.737 30.996 31.823 -0.151 0.000 0.825 634 V HN 0.136 nan 8.190 nan 0.000 0.484 635 F N 1.625 121.546 119.950 -0.048 0.000 2.731 635 F HA 0.369 4.917 4.527 0.034 0.000 0.298 635 F C 1.539 177.318 175.800 -0.035 0.000 1.106 635 F CA 0.345 58.313 58.000 -0.053 0.000 1.329 635 F CB 0.115 39.081 39.000 -0.056 0.000 1.100 635 F HN 0.334 nan 8.300 nan 0.000 0.592 636 S N -0.912 114.869 115.700 0.134 0.000 2.718 636 S HA 0.669 5.160 4.470 0.035 0.000 0.300 636 S C 1.291 175.912 174.600 0.034 0.000 1.117 636 S CA -0.347 57.895 58.200 0.070 0.000 1.002 636 S CB 1.147 64.382 63.200 0.059 0.000 1.092 636 S HN 0.277 nan 8.310 nan 0.000 0.542 637 G N 1.715 110.526 108.800 0.018 0.000 3.982 637 G HA2 -0.289 3.692 3.960 0.035 0.000 0.261 637 G HA3 -0.289 3.692 3.960 0.035 0.000 0.261 637 G C 0.259 175.156 174.900 -0.004 0.000 0.858 637 G CA 0.881 45.982 45.100 0.003 0.000 0.716 637 G HN 0.866 nan 8.290 nan 0.000 1.446 638 K N 1.895 122.293 120.400 -0.004 0.000 2.350 638 K HA 0.384 4.725 4.320 0.035 0.000 0.279 638 K C 1.179 177.786 176.600 0.011 0.000 1.027 638 K CA 0.960 57.242 56.287 -0.008 0.000 0.969 638 K CB 0.516 33.010 32.500 -0.009 0.000 0.954 638 K HN 1.057 nan 8.250 nan 0.000 0.474 639 G N 2.373 111.180 108.800 0.012 0.000 2.424 639 G HA2 -0.276 3.704 3.960 0.035 0.000 0.207 639 G HA3 -0.276 3.704 3.960 0.035 0.000 0.207 639 G C 0.562 175.513 174.900 0.085 0.000 1.061 639 G CA 0.124 45.258 45.100 0.058 0.000 0.657 639 G HN 0.670 nan 8.290 nan 0.000 0.508 640 A N -0.329 122.509 122.820 0.030 0.000 2.379 640 A HA 0.766 5.106 4.320 0.035 0.000 0.236 640 A C 1.225 178.796 177.584 -0.023 0.000 1.272 640 A CA 1.312 53.367 52.037 0.030 0.000 0.886 640 A CB -0.161 18.820 19.000 -0.031 0.000 0.962 640 A HN 0.762 nan 8.150 nan 0.000 0.504 641 M N 0.091 119.625 119.600 -0.110 0.000 3.017 641 M HA 0.230 4.731 4.480 0.035 0.000 0.423 641 M C 0.026 176.156 176.300 -0.283 0.000 1.395 641 M CA -0.039 55.158 55.300 -0.172 0.000 0.816 641 M CB 0.605 33.148 32.600 -0.095 0.000 1.440 641 M HN 0.225 nan 8.290 nan 0.000 0.506 642 S N 0.567 115.944 115.700 -0.538 0.000 2.580 642 S HA 0.329 4.819 4.470 0.035 0.000 0.274 642 S C -1.675 172.602 174.600 -0.539 0.000 1.329 642 S CA -1.134 56.734 58.200 -0.554 0.000 1.036 642 S CB 0.877 63.651 63.200 -0.710 0.000 0.919 642 S HN 0.264 nan 8.310 nan 0.000 0.515 643 P HA 0.049 nan 4.420 nan 0.000 0.223 643 P C 1.069 178.262 177.300 -0.178 0.000 1.151 643 P CA 0.720 63.699 63.100 -0.202 0.000 0.787 643 P CB 0.042 31.673 31.700 -0.115 0.000 0.788 644 L N -1.882 119.227 121.223 -0.190 0.000 2.275 644 L HA 0.001 4.361 4.340 0.035 0.000 0.215 644 L C 0.757 177.713 176.870 0.143 0.000 1.119 644 L CA 0.695 55.547 54.840 0.020 0.000 0.790 644 L CB -0.439 41.739 42.059 0.199 0.000 0.919 644 L HN 0.035 nan 8.230 nan 0.000 0.443 645 F N -4.080 115.892 119.950 0.037 0.000 2.645 645 F HA 0.676 5.224 4.527 0.035 0.000 0.310 645 F C -2.934 172.861 175.800 -0.009 0.000 1.102 645 F CA -3.185 54.834 58.000 0.031 0.000 0.952 645 F CB -0.240 38.794 39.000 0.058 0.000 1.326 645 F HN -0.382 nan 8.300 nan 0.000 0.456 646 P HA 0.257 nan 4.420 nan 0.000 0.269 646 P C -0.685 176.676 177.300 0.101 0.000 1.215 646 P CA -0.181 62.973 63.100 0.089 0.000 0.780 646 P CB 0.539 32.292 31.700 0.089 0.000 0.898 647 A N 2.189 125.016 122.820 0.012 0.000 2.524 647 A HA 0.422 4.762 4.320 0.035 0.000 0.250 647 A C 1.398 178.992 177.584 0.017 0.000 1.078 647 A CA 0.570 52.603 52.037 -0.006 0.000 0.761 647 A CB -1.475 17.506 19.000 -0.031 0.000 1.012 647 A HN 0.906 nan 8.150 nan 0.000 0.500 648 G N 1.987 110.796 108.800 0.016 0.000 2.176 648 G HA2 -0.294 3.687 3.960 0.035 0.000 0.252 648 G HA3 -0.294 3.687 3.960 0.035 0.000 0.252 648 G C 0.963 175.813 174.900 -0.083 0.000 1.024 648 G CA 0.908 45.981 45.100 -0.045 0.000 0.755 648 G HN 1.103 nan 8.290 nan 0.000 0.507 649 R N 0.967 121.438 120.500 -0.047 0.000 2.066 649 R HA 0.056 4.417 4.340 0.035 0.000 0.232 649 R C 0.110 176.234 176.300 -0.295 0.000 1.131 649 R CA 1.984 58.018 56.100 -0.110 0.000 0.955 649 R CB -1.202 29.090 30.300 -0.013 0.000 0.851 649 R HN 0.443 nan 8.270 nan 0.000 0.432 650 P HA -0.125 nan 4.420 nan 0.000 0.215 650 P C 1.096 177.982 177.300 -0.690 0.000 1.153 650 P CA 2.183 64.789 63.100 -0.823 0.000 0.853 650 P CB -0.216 30.652 31.700 -1.385 0.000 0.788 651 S N -1.134 114.192 115.700 -0.624 0.000 2.406 651 S HA -0.187 4.304 4.470 0.035 0.000 0.228 651 S C 2.206 176.759 174.600 -0.079 0.000 1.020 651 S CA 0.962 59.030 58.200 -0.219 0.000 0.965 651 S CB -1.121 62.025 63.200 -0.090 0.000 0.798 651 S HN 0.019 nan 8.310 nan 0.000 0.488 652 Q N 1.495 121.224 119.800 -0.119 0.000 2.119 652 Q HA 0.132 4.493 4.340 0.035 0.000 0.201 652 Q C 1.896 177.834 176.000 -0.104 0.000 0.972 652 Q CA 1.574 57.321 55.803 -0.094 0.000 0.847 652 Q CB -0.645 28.049 28.738 -0.074 0.000 0.903 652 Q HN 0.713 nan 8.270 nan 0.000 0.433 653 I N -0.288 120.245 120.570 -0.062 0.000 2.226 653 I HA -0.258 3.933 4.170 0.035 0.000 0.245 653 I C 1.968 178.082 176.117 -0.005 0.000 1.100 653 I CA 0.777 62.073 61.300 -0.006 0.000 1.374 653 I CB -0.272 37.778 38.000 0.084 0.000 1.057 653 I HN 0.275 nan 8.210 nan 0.000 0.413 654 L N 0.198 121.448 121.223 0.046 0.000 2.109 654 L HA -0.134 4.227 4.340 0.035 0.000 0.207 654 L C 2.453 179.325 176.870 0.003 0.000 1.086 654 L CA 1.993 56.880 54.840 0.078 0.000 0.760 654 L CB -0.738 41.449 42.059 0.213 0.000 0.910 654 L HN 0.134 nan 8.230 nan 0.000 0.437 655 T N -0.604 113.924 114.554 -0.044 0.000 2.737 655 T HA -0.151 4.220 4.350 0.035 0.000 0.265 655 T C 1.480 176.040 174.700 -0.233 0.000 1.038 655 T CA 1.518 63.563 62.100 -0.092 0.000 1.144 655 T CB -0.315 68.496 68.868 -0.094 0.000 0.866 655 T HN 0.344 nan 8.240 nan 0.000 0.434 656 D N 0.917 121.061 120.400 -0.427 0.000 2.104 656 D HA -0.045 4.616 4.640 0.035 0.000 0.194 656 D C 2.389 178.138 176.300 -0.919 0.000 0.994 656 D CA 1.341 54.716 54.000 -1.042 0.000 0.830 656 D CB -0.846 39.226 40.800 -1.213 0.000 0.959 656 D HN 0.464 nan 8.370 nan 0.000 0.452 657 G N -0.375 108.219 108.800 -0.344 0.000 2.446 657 G HA2 -0.321 3.659 3.960 0.035 0.000 0.217 657 G HA3 -0.321 3.659 3.960 0.035 0.000 0.217 657 G C 1.641 176.544 174.900 0.006 0.000 1.168 657 G CA 0.882 45.956 45.100 -0.044 0.000 0.771 657 G HN 0.329 nan 8.290 nan 0.000 0.551 658 Y N 1.069 121.287 120.300 -0.138 0.000 2.163 658 Y HA 0.022 4.593 4.550 0.035 0.000 0.288 658 Y C 2.970 178.784 175.900 -0.144 0.000 1.136 658 Y CA 1.800 59.828 58.100 -0.120 0.000 1.147 658 Y CB -0.122 38.257 38.460 -0.135 0.000 0.987 658 Y HN 0.113 nan 8.280 nan 0.000 0.509 659 R N -0.680 119.705 120.500 -0.191 0.000 2.115 659 R HA -0.138 4.223 4.340 0.035 0.000 0.230 659 R C 1.377 177.601 176.300 -0.126 0.000 1.111 659 R CA 1.600 57.543 56.100 -0.261 0.000 0.976 659 R CB -0.481 29.687 30.300 -0.221 0.000 0.870 659 R HN 0.430 nan 8.270 nan 0.000 0.445 660 W N -0.472 120.806 121.300 -0.037 0.000 3.256 660 W HA 0.398 5.079 4.660 0.035 0.000 0.269 660 W C 0.796 177.434 176.519 0.199 0.000 1.310 660 W CA 0.602 58.014 57.345 0.112 0.000 1.673 660 W CB -0.489 29.012 29.460 0.068 0.000 1.115 660 W HN 0.343 nan 8.180 nan 0.000 0.686 661 G N 0.974 109.887 108.800 0.187 0.000 2.137 661 G HA2 -0.284 3.697 3.960 0.035 0.000 0.237 661 G HA3 -0.284 3.697 3.960 0.035 0.000 0.237 661 G C 0.409 175.458 174.900 0.250 0.000 1.002 661 G CA -0.263 44.966 45.100 0.216 0.000 0.702 661 G HN 0.238 nan 8.290 nan 0.000 0.515 662 K N 0.547 121.048 120.400 0.168 0.000 2.118 662 K HA 0.454 4.795 4.320 0.035 0.000 0.264 662 K C -2.472 174.248 176.600 0.200 0.000 1.000 662 K CA -1.921 54.462 56.287 0.160 0.000 0.929 662 K CB 0.931 33.512 32.500 0.135 0.000 1.021 662 K HN -0.024 nan 8.250 nan 0.000 0.463 663 P HA -0.045 nan 4.420 nan 0.000 0.265 663 P C -0.827 176.597 177.300 0.206 0.000 1.222 663 P CA -0.196 63.085 63.100 0.302 0.000 0.767 663 P CB 0.406 32.365 31.700 0.432 0.000 0.801 664 V N 1.104 121.106 119.914 0.147 0.000 2.715 664 V HA 0.980 5.121 4.120 0.035 0.000 0.310 664 V C -0.419 175.757 176.094 0.136 0.000 1.054 664 V CA -1.203 61.169 62.300 0.119 0.000 0.928 664 V CB 1.753 33.633 31.823 0.096 0.000 1.007 664 V HN 0.607 nan 8.190 nan 0.000 0.437 665 A N 2.471 125.350 122.820 0.097 0.000 2.593 665 A HA 1.080 5.421 4.320 0.035 0.000 0.290 665 A C -0.452 177.138 177.584 0.010 0.000 1.126 665 A CA -0.468 51.625 52.037 0.093 0.000 0.695 665 A CB 1.826 20.903 19.000 0.128 0.000 1.290 665 A HN 2.618 nan 8.150 nan 0.000 0.414 666 A N 0.233 123.049 122.820 -0.005 0.000 2.509 666 A HA 0.577 4.918 4.320 0.035 0.000 0.282 666 A C -1.176 176.387 177.584 -0.036 0.000 1.054 666 A CA -0.298 51.709 52.037 -0.050 0.000 0.820 666 A CB 0.706 19.642 19.000 -0.106 0.000 1.333 666 A HN 1.449 nan 8.150 nan 0.000 0.409 667 V N 3.312 123.207 119.914 -0.032 0.000 2.432 667 V HA 0.580 4.720 4.120 0.035 0.000 0.271 667 V C 1.437 177.513 176.094 -0.030 0.000 1.046 667 V CA 1.368 63.654 62.300 -0.024 0.000 0.945 667 V CB 0.067 31.878 31.823 -0.020 0.000 0.992 667 V HN 2.256 nan 8.190 nan 0.000 0.471 668 G N 5.385 114.169 108.800 -0.026 0.000 2.565 668 G HA2 -0.351 3.630 3.960 0.035 0.000 0.295 668 G HA3 -0.351 3.630 3.960 0.035 0.000 0.295 668 G C 1.183 176.060 174.900 -0.039 0.000 1.165 668 G CA 0.791 45.874 45.100 -0.027 0.000 0.977 668 G HN 1.424 nan 8.290 nan 0.000 0.546 669 S N 1.056 116.733 115.700 -0.038 0.000 2.555 669 S HA 0.366 4.857 4.470 0.035 0.000 0.230 669 S C 2.380 176.937 174.600 -0.072 0.000 0.978 669 S CA 1.393 59.565 58.200 -0.047 0.000 0.934 669 S CB -0.148 63.032 63.200 -0.034 0.000 0.766 669 S HN 2.003 nan 8.310 nan 0.000 0.533 670 A N 1.875 124.647 122.820 -0.080 0.000 2.225 670 A HA 0.018 4.359 4.320 0.035 0.000 0.215 670 A C 2.125 179.606 177.584 -0.172 0.000 1.164 670 A CA 0.891 52.851 52.037 -0.128 0.000 0.710 670 A CB -0.560 18.378 19.000 -0.104 0.000 0.780 670 A HN 0.513 nan 8.150 nan 0.000 0.473 671 K N -0.367 119.957 120.400 -0.127 0.000 2.211 671 K HA -0.195 4.145 4.320 0.035 0.000 0.204 671 K C 1.917 178.420 176.600 -0.162 0.000 1.047 671 K CA 1.552 57.759 56.287 -0.132 0.000 0.935 671 K CB -0.063 32.381 32.500 -0.093 0.000 0.728 671 K HN 0.365 nan 8.250 nan 0.000 0.452 672 K N 0.760 121.064 120.400 -0.160 0.000 2.147 672 K HA -0.100 4.241 4.320 0.035 0.000 0.205 672 K C 1.717 178.168 176.600 -0.248 0.000 1.049 672 K CA 1.269 57.459 56.287 -0.162 0.000 0.936 672 K CB -0.134 32.294 32.500 -0.121 0.000 0.722 672 K HN 0.154 nan 8.250 nan 0.000 0.446 673 A N 0.169 122.744 122.820 -0.408 0.000 1.930 673 A HA -0.053 4.287 4.320 0.035 0.000 0.217 673 A C 2.010 179.294 177.584 -0.499 0.000 1.175 673 A CA 1.137 52.717 52.037 -0.761 0.000 0.627 673 A CB -0.491 17.677 19.000 -1.386 0.000 0.815 673 A HN 0.282 nan 8.150 nan 0.000 0.443 674 L N -0.979 120.037 121.223 -0.346 0.000 2.217 674 L HA -0.135 4.225 4.340 0.035 0.000 0.211 674 L C 2.721 179.452 176.870 -0.232 0.000 1.107 674 L CA 1.131 55.812 54.840 -0.264 0.000 0.783 674 L CB -0.306 41.620 42.059 -0.222 0.000 0.919 674 L HN 0.503 nan 8.230 nan 0.000 0.442 675 Q N -0.234 119.447 119.800 -0.198 0.000 2.331 675 Q HA -0.098 4.263 4.340 0.035 0.000 0.203 675 Q C 2.277 178.202 176.000 -0.126 0.000 0.944 675 Q CA 1.239 56.950 55.803 -0.153 0.000 0.892 675 Q CB 0.282 28.946 28.738 -0.123 0.000 0.983 675 Q HN 0.587 nan 8.270 nan 0.000 0.482 676 S N 0.302 115.929 115.700 -0.122 0.000 2.453 676 S HA -0.091 4.399 4.470 0.035 0.000 0.231 676 S C 1.699 176.267 174.600 -0.054 0.000 1.005 676 S CA 0.828 58.991 58.200 -0.061 0.000 0.949 676 S CB -0.475 62.722 63.200 -0.005 0.000 0.774 676 S HN 0.533 nan 8.310 nan 0.000 0.510 677 I N -2.765 117.747 120.570 -0.097 0.000 3.941 677 I HA 0.611 4.802 4.170 0.035 0.000 0.335 677 I C 1.158 177.172 176.117 -0.171 0.000 1.402 677 I CA -0.067 61.165 61.300 -0.112 0.000 1.112 677 I CB -0.290 37.639 38.000 -0.118 0.000 1.043 677 I HN 0.274 nan 8.210 nan 0.000 0.395 678 G N 1.811 110.512 108.800 -0.165 0.000 2.176 678 G HA2 -0.199 3.782 3.960 0.035 0.000 0.252 678 G HA3 -0.199 3.782 3.960 0.035 0.000 0.252 678 G C -0.034 174.724 174.900 -0.237 0.000 1.024 678 G CA 0.184 45.187 45.100 -0.161 0.000 0.755 678 G HN 0.322 nan 8.290 nan 0.000 0.507 679 V N 0.298 120.013 119.914 -0.333 0.000 2.370 679 V HA 0.486 4.627 4.120 0.035 0.000 0.279 679 V C 0.554 176.483 176.094 -0.275 0.000 1.029 679 V CA -0.927 61.101 62.300 -0.455 0.000 0.870 679 V CB 1.609 32.970 31.823 -0.770 0.000 0.984 679 V HN 0.350 nan 8.190 nan 0.000 0.451 680 E N 2.767 122.848 120.200 -0.199 0.000 2.392 680 E HA 0.124 4.495 4.350 0.035 0.000 0.264 680 E C 1.011 177.525 176.600 -0.145 0.000 1.024 680 E CA -0.001 56.316 56.400 -0.139 0.000 0.903 680 E CB 0.743 30.386 29.700 -0.095 0.000 0.963 680 E HN 0.825 nan 8.360 nan 0.000 0.432 681 E N 1.832 121.957 120.200 -0.124 0.000 2.358 681 E HA -0.045 4.325 4.350 0.035 0.000 0.195 681 E C 0.001 176.528 176.600 -0.121 0.000 1.010 681 E CA 0.887 57.214 56.400 -0.121 0.000 0.856 681 E CB 0.163 29.805 29.700 -0.096 0.000 0.795 681 E HN 0.122 nan 8.360 nan 0.000 0.504 682 K N 1.550 121.887 120.400 -0.105 0.000 2.901 682 K HA 0.177 4.518 4.320 0.035 0.000 0.199 682 K C -0.892 175.647 176.600 -0.102 0.000 1.140 682 K CA -0.192 56.035 56.287 -0.099 0.000 1.030 682 K CB 0.526 32.989 32.500 -0.062 0.000 1.437 682 K HN 0.273 nan 8.250 nan 0.000 0.552 683 E N -0.486 119.630 120.200 -0.140 0.000 2.355 683 E HA 0.596 4.967 4.350 0.035 0.000 0.261 683 E C -0.782 175.680 176.600 -0.231 0.000 0.943 683 E CA -1.345 54.977 56.400 -0.131 0.000 0.806 683 E CB 0.953 30.604 29.700 -0.081 0.000 1.286 683 E HN 0.098 nan 8.360 nan 0.000 0.424 684 A N 0.539 123.242 122.820 -0.196 0.000 2.545 684 A HA 0.402 4.743 4.320 0.035 0.000 0.253 684 A C 1.230 178.309 177.584 -0.841 0.000 1.074 684 A CA 0.677 52.544 52.037 -0.283 0.000 0.760 684 A CB -1.274 17.730 19.000 0.006 0.000 1.005 684 A HN 1.257 nan 8.150 nan 0.000 0.506 685 G N 1.134 109.214 108.800 -1.200 0.000 2.148 685 G HA2 -0.125 3.856 3.960 0.035 0.000 0.254 685 G HA3 -0.125 3.856 3.960 0.035 0.000 0.254 685 G C 0.035 174.321 174.900 -1.024 0.000 0.981 685 G CA 0.195 44.313 45.100 -1.637 0.000 0.670 685 G HN 1.523 nan 8.290 nan 0.000 0.528 686 V N 0.771 120.113 119.914 -0.952 0.000 2.378 686 V HA 0.655 4.795 4.120 0.035 0.000 0.288 686 V C -0.496 175.199 176.094 -0.666 0.000 1.016 686 V CA -0.964 60.986 62.300 -0.583 0.000 0.840 686 V CB 1.049 32.697 31.823 -0.291 0.000 0.994 686 V HN 0.272 nan 8.190 nan 0.000 0.431 687 Y N 2.796 123.058 120.300 -0.065 0.000 2.376 687 Y HA 0.837 5.407 4.550 0.034 0.000 0.340 687 Y C 0.274 176.145 175.900 -0.047 0.000 0.965 687 Y CA -0.716 57.358 58.100 -0.043 0.000 1.078 687 Y CB 2.222 40.669 38.460 -0.022 0.000 1.193 687 Y HN 0.711 nan 8.280 nan 0.000 0.452 688 A N 1.740 124.613 122.820 0.089 0.000 2.486 688 A HA 0.952 5.293 4.320 0.035 0.000 0.300 688 A C -0.036 177.564 177.584 0.026 0.000 1.048 688 A CA -0.047 52.006 52.037 0.026 0.000 0.696 688 A CB 1.541 20.527 19.000 -0.023 0.000 1.278 688 A HN 1.345 nan 8.150 nan 0.000 0.405 689 G N -0.521 108.284 108.800 0.009 0.000 2.288 689 G HA2 0.572 4.553 3.960 0.035 0.000 0.227 689 G HA3 0.572 4.553 3.960 0.035 0.000 0.227 689 G C 0.196 175.095 174.900 -0.001 0.000 1.339 689 G CA 0.118 45.221 45.100 0.004 0.000 1.057 689 G HN 2.191 nan 8.290 nan 0.000 0.470 690 A N -0.450 122.371 122.820 0.000 0.000 2.310 690 A HA 0.610 4.950 4.320 0.035 0.000 0.260 690 A C 1.476 179.057 177.584 -0.006 0.000 1.112 690 A CA 1.241 53.276 52.037 -0.004 0.000 0.804 690 A CB 0.413 19.411 19.000 -0.003 0.000 1.081 690 A HN 0.981 nan 8.150 nan 0.000 0.499 691 Q N -0.446 119.349 119.800 -0.009 0.000 2.084 691 Q HA -0.203 4.158 4.340 0.035 0.000 0.202 691 Q C 1.161 177.151 176.000 -0.016 0.000 0.978 691 Q CA 2.079 57.874 55.803 -0.013 0.000 0.844 691 Q CB -0.191 28.539 28.738 -0.013 0.000 0.898 691 Q HN 0.893 nan 8.270 nan 0.000 0.426 692 D N -0.143 120.249 120.400 -0.012 0.000 2.178 692 D HA -0.189 4.471 4.640 0.035 0.000 0.202 692 D C 1.322 177.612 176.300 -0.017 0.000 0.974 692 D CA 1.076 55.068 54.000 -0.014 0.000 0.841 692 D CB -0.217 40.578 40.800 -0.008 0.000 0.953 692 D HN 0.461 nan 8.370 nan 0.000 0.478 693 E N 0.655 120.850 120.200 -0.009 0.000 2.072 693 E HA -0.061 4.310 4.350 0.035 0.000 0.190 693 E C 2.469 179.058 176.600 -0.019 0.000 0.982 693 E CA 0.367 56.765 56.400 -0.003 0.000 0.803 693 E CB 0.176 29.886 29.700 0.016 0.000 0.755 693 E HN 0.081 nan 8.360 nan 0.000 0.453 694 V N 1.452 121.355 119.914 -0.018 0.000 2.358 694 V HA -0.226 3.915 4.120 0.035 0.000 0.246 694 V C 2.210 178.243 176.094 -0.102 0.000 1.047 694 V CA 1.387 63.667 62.300 -0.033 0.000 1.035 694 V CB -0.336 31.482 31.823 -0.007 0.000 0.658 694 V HN 0.251 nan 8.190 nan 0.000 0.452 695 I N -0.043 120.483 120.570 -0.074 0.000 2.252 695 I HA -0.254 3.937 4.170 0.035 0.000 0.245 695 I C 2.554 178.608 176.117 -0.105 0.000 1.102 695 I CA 1.728 62.982 61.300 -0.077 0.000 1.385 695 I CB -0.311 37.662 38.000 -0.045 0.000 1.064 695 I HN 0.240 nan 8.210 nan 0.000 0.414 696 K N 1.109 121.452 120.400 -0.095 0.000 2.097 696 K HA -0.116 4.225 4.320 0.035 0.000 0.206 696 K C 2.004 178.501 176.600 -0.172 0.000 1.049 696 K CA 1.540 57.772 56.287 -0.091 0.000 0.933 696 K CB -0.372 32.099 32.500 -0.049 0.000 0.717 696 K HN 0.335 nan 8.250 nan 0.000 0.442 697 G N -0.229 108.379 108.800 -0.321 0.000 2.394 697 G HA2 -0.157 3.823 3.960 0.035 0.000 0.214 697 G HA3 -0.157 3.823 3.960 0.035 0.000 0.214 697 G C 1.456 175.722 174.900 -1.056 0.000 1.176 697 G CA 0.758 45.391 45.100 -0.778 0.000 0.786 697 G HN 0.176 nan 8.290 nan 0.000 0.533 698 V N 0.938 120.411 119.914 -0.734 0.000 2.343 698 V HA -0.181 3.959 4.120 0.035 0.000 0.247 698 V C 2.658 178.678 176.094 -0.122 0.000 1.051 698 V CA 2.211 64.305 62.300 -0.343 0.000 1.036 698 V CB -0.570 31.169 31.823 -0.141 0.000 0.654 698 V HN 0.458 nan 8.190 nan 0.000 0.451 699 E N -0.068 120.067 120.200 -0.107 0.000 2.160 699 E HA -0.288 4.083 4.350 0.035 0.000 0.195 699 E C 2.196 178.800 176.600 0.006 0.000 0.991 699 E CA 1.480 57.865 56.400 -0.025 0.000 0.810 699 E CB -0.081 29.603 29.700 -0.027 0.000 0.742 699 E HN 0.701 nan 8.360 nan 0.000 0.466 700 E N 0.405 120.592 120.200 -0.023 0.000 2.112 700 E HA -0.079 4.292 4.350 0.035 0.000 0.190 700 E C 1.999 178.684 176.600 0.142 0.000 0.979 700 E CA 1.434 57.864 56.400 0.049 0.000 0.814 700 E CB -0.413 29.314 29.700 0.045 0.000 0.762 700 E HN 0.170 nan 8.360 nan 0.000 0.460 701 G N 0.621 109.536 108.800 0.193 0.000 2.421 701 G HA2 -0.151 3.830 3.960 0.035 0.000 0.217 701 G HA3 -0.151 3.830 3.960 0.035 0.000 0.217 701 G C 1.544 176.623 174.900 0.298 0.000 1.143 701 G CA 0.658 46.023 45.100 0.441 0.000 0.784 701 G HN 0.300 nan 8.290 nan 0.000 0.541 702 L N -0.198 121.152 121.223 0.212 0.000 2.201 702 L HA 0.002 4.363 4.340 0.035 0.000 0.212 702 L C 2.866 179.877 176.870 0.236 0.000 1.105 702 L CA 0.892 55.866 54.840 0.224 0.000 0.775 702 L CB -0.152 42.016 42.059 0.182 0.000 0.913 702 L HN 0.165 nan 8.230 nan 0.000 0.440 703 K N -0.496 119.997 120.400 0.155 0.000 2.103 703 K HA -0.091 4.250 4.320 0.035 0.000 0.204 703 K C 2.027 178.688 176.600 0.101 0.000 1.052 703 K CA 0.997 57.352 56.287 0.114 0.000 0.945 703 K CB -0.058 32.487 32.500 0.076 0.000 0.722 703 K HN 0.120 nan 8.250 nan 0.000 0.443 704 V N 0.723 120.673 119.914 0.060 0.000 2.427 704 V HA -0.200 3.941 4.120 0.035 0.000 0.248 704 V C 1.429 177.550 176.094 0.046 0.000 1.051 704 V CA 1.814 64.076 62.300 -0.063 0.000 1.048 704 V CB -0.648 30.953 31.823 -0.371 0.000 0.666 704 V HN 0.395 nan 8.190 nan 0.000 0.456 705 F N -0.460 119.448 119.950 -0.070 0.000 2.551 705 F HA -0.349 4.199 4.527 0.035 0.000 0.704 705 F C 0.602 176.455 175.800 0.087 0.000 0.486 705 F CA 2.222 60.241 58.000 0.032 0.000 0.741 705 F CB -0.570 38.440 39.000 0.017 0.000 1.617 705 F HN 0.221 nan 8.300 nan 0.000 0.268 706 K N 0.566 121.046 120.400 0.134 0.000 2.376 706 K HA 0.533 4.874 4.320 0.035 0.000 0.257 706 K C -1.532 175.101 176.600 0.055 0.000 0.939 706 K CA -0.312 56.076 56.287 0.169 0.000 0.809 706 K CB 0.845 33.609 32.500 0.439 0.000 1.121 706 K HN 0.064 nan 8.250 nan 0.000 0.425 707 F N 5.335 125.411 119.950 0.210 0.000 2.350 707 F HA 0.243 4.791 4.527 0.035 0.000 0.365 707 F C 1.046 176.996 175.800 0.250 0.000 1.122 707 F CA -0.421 57.681 58.000 0.171 0.000 1.139 707 F CB 0.600 39.644 39.000 0.073 0.000 1.220 707 F HN 0.400 nan 8.300 nan 0.000 0.499 708 L N 2.840 124.252 121.223 0.314 0.000 2.395 708 L HA -0.079 4.282 4.340 0.035 0.000 0.218 708 L C 2.222 179.263 176.870 0.284 0.000 1.130 708 L CA 0.465 55.484 54.840 0.298 0.000 0.826 708 L CB -0.323 41.779 42.059 0.072 0.000 0.941 708 L HN 0.586 nan 8.230 nan 0.000 0.451 709 E N 0.923 121.246 120.200 0.205 0.000 2.418 709 E HA -0.186 4.185 4.350 0.035 0.000 0.197 709 E C 1.431 178.048 176.600 0.029 0.000 1.026 709 E CA 0.631 57.094 56.400 0.105 0.000 0.862 709 E CB -0.148 29.606 29.700 0.091 0.000 0.799 709 E HN 0.544 nan 8.360 nan 0.000 0.518 710 R N 0.092 120.568 120.500 -0.039 0.000 2.317 710 R HA 0.218 4.579 4.340 0.035 0.000 0.208 710 R C -0.262 175.749 176.300 -0.481 0.000 0.914 710 R CA 0.003 55.908 56.100 -0.324 0.000 1.060 710 R CB 0.081 30.021 30.300 -0.599 0.000 1.015 710 R HN 0.025 nan 8.270 nan 0.000 0.498 711 F N 0.717 120.657 119.950 -0.017 0.000 2.426 711 F HA 0.451 4.999 4.527 0.035 0.000 0.348 711 F C 0.449 176.213 175.800 -0.060 0.000 1.124 711 F CA -1.288 56.703 58.000 -0.016 0.000 1.008 711 F CB 1.273 40.263 39.000 -0.016 0.000 1.139 711 F HN -0.107 nan 8.300 nan 0.000 0.452 712 A N 2.928 125.812 122.820 0.107 0.000 2.371 712 A HA 0.685 5.026 4.320 0.035 0.000 0.257 712 A C -0.402 177.192 177.584 0.018 0.000 1.089 712 A CA -0.435 51.629 52.037 0.045 0.000 0.794 712 A CB 0.411 19.434 19.000 0.039 0.000 1.029 712 A HN 0.574 nan 8.150 nan 0.000 0.488 713 V N 1.900 121.809 119.914 -0.008 0.000 2.850 713 V HA 0.252 4.393 4.120 0.035 0.000 0.315 713 V C 0.149 176.239 176.094 -0.007 0.000 1.064 713 V CA -0.989 61.293 62.300 -0.030 0.000 0.979 713 V CB 1.612 33.405 31.823 -0.050 0.000 1.039 713 V HN 0.924 nan 8.190 nan 0.000 0.452 714 D N 1.339 121.737 120.400 -0.003 0.000 2.378 714 D HA 0.370 5.030 4.640 0.035 0.000 0.238 714 D C 1.115 177.420 176.300 0.008 0.000 1.180 714 D CA 1.756 55.762 54.000 0.010 0.000 0.895 714 D CB 1.295 42.105 40.800 0.017 0.000 1.192 714 D HN 0.980 nan 8.370 nan 0.000 0.438 715 G N 1.414 110.221 108.800 0.011 0.000 2.349 715 G HA2 -0.181 3.800 3.960 0.035 0.000 0.213 715 G HA3 -0.181 3.800 3.960 0.035 0.000 0.213 715 G C 0.117 175.022 174.900 0.009 0.000 1.044 715 G CA 0.021 45.127 45.100 0.009 0.000 0.633 715 G HN 0.535 nan 8.290 nan 0.000 0.506 716 D N 0.000 120.406 120.400 0.010 0.000 6.856 716 D HA 0.000 4.661 4.640 0.035 0.000 0.175 716 D CA 0.000 54.007 54.000 0.011 0.000 0.868 716 D CB 0.000 40.805 40.800 0.009 0.000 0.688 716 D HN 0.000 nan 8.370 nan 0.000 0.683