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 3opy_1_B DATA FIRST_RESID 5 DATA SEQUENCE SLFNGTSFIT LFAPNXSXLQ ASIDFYTNFL GFAIRKNSNQ KXXXLQLEED DATA SEQUENCE QNNVSIQLIL DPEHAASVSQ IDQNIRNLTX XXXXXXXXXI QSNIAFKSSS DATA SEQUENCE LSKLVKLLKD GGHPVQQSPN EISPFEVYTV DPLGSLIGFX GFKNPFAVNE DATA SEQUENCE RXXXXXXXXX XXXXXXXXXX XXXXXVRKTI GVMTSGGDSP GMNPFVRAVV DATA SEQUENCE RAGIYKGCKV FCIHEGYEGL VRGGEKYIKE TQWHDVRGWL VEGGTNIGTA DATA SEQUENCE RCKEFRERSG RLKACKNMID MGIDALIVCG GDGSLTGADR FRSEWPSLIE DATA SEQUENCE EXXXXXXXXQ QQFNTHQNLN ICGAVGSIDN DMSSTDATIG AFSSLDRICR DATA SEQUENCE AIDYIDATAX SHSRAFIVEV MGRHCGWLGL LAGLATSADY ILIPEKPASS DATA SEQUENCE REWQDQMCDI VGKHRARGKR KTIVIVAEGA ISNDLSPISC DQVKDVLVNR DATA SEQUENCE LGLDTRVTTL GHVQRGGTAV AFDRIYATLQ GVEAVNAVLE CDADTPSPMI DATA SEQUENCE AIKEDQITRV PLVDAVELTQ QVAKSIESRN FKKAISLRDS EFVEHMKNFI DATA SEQUENCE STNSXDHVPP SLPLEKRKKI AIINVGAPAG GMNSAVYSMA TYCMSRGHVP DATA SEQUENCE YAIHNGFSGL ARHESVRSIN WLDIEGWGSL GGSEIGTNRT LPNDADIGMI DATA SEQUENCE AYFFEKYGFD GLILVGGFEA FISLHQLERA RINYPSLRIP LVLIPATISN DATA SEQUENCE NVPGTEYSLG SDTCLNSFME YCDVIKQSAA ATXNRVFVVE VQGGNSGYIA DATA SEQUENCE THAQLACGAQ ISYVPEEGIS LAQLEMDINS LKESFANDQG KTKSGRLILK DATA SEQUENCE SENASKVLTT EVISTIIDDE ASGRFDSKTA IPGHVQQGGI PSPMDRVRAS DATA SEQUENCE RFAIRAVSFI ERHSDRCQTF KNSISFRQTD EITSTAVVLG IHKXQLRFTP DATA SEQUENCE IRQLYDFESD VPRRMRXNIF WSNVREISDM LSGRTSL 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.644 174.600 0.073 0.000 1.055 5 S CA 0.000 58.234 58.200 0.057 0.000 1.107 5 S CB 0.000 63.238 63.200 0.064 0.000 0.593 6 L N -0.702 120.597 121.223 0.127 0.000 2.806 6 L HA 0.485 4.833 4.340 0.012 0.000 0.242 6 L C -0.352 176.594 176.870 0.126 0.000 1.068 6 L CA 0.387 55.298 54.840 0.119 0.000 0.923 6 L CB 0.462 42.597 42.059 0.127 0.000 1.364 6 L HN 0.594 nan 8.230 nan 0.000 0.511 7 F N 1.159 121.100 119.950 -0.014 0.000 2.573 7 F HA 0.192 4.727 4.527 0.013 0.000 0.349 7 F C 1.301 177.092 175.800 -0.015 0.000 1.213 7 F CA -0.181 57.807 58.000 -0.020 0.000 1.300 7 F CB -0.695 38.291 39.000 -0.023 0.000 1.661 7 F HN 0.053 nan 8.300 nan 0.000 0.616 8 N N 0.381 119.134 118.700 0.088 0.000 2.223 8 N HA 0.025 4.772 4.740 0.012 0.000 0.185 8 N C 1.150 176.690 175.510 0.052 0.000 1.016 8 N CA 0.743 53.827 53.050 0.057 0.000 0.863 8 N CB 0.179 38.682 38.487 0.026 0.000 0.983 8 N HN 0.611 nan 8.380 nan 0.000 0.429 9 G N -1.172 107.655 108.800 0.045 0.000 2.650 9 G HA2 0.416 4.383 3.960 0.012 0.000 0.310 9 G HA3 0.416 4.383 3.960 0.012 0.000 0.310 9 G C -1.685 173.234 174.900 0.031 0.000 1.270 9 G CA -0.595 44.529 45.100 0.040 0.000 0.810 9 G HN -0.019 nan 8.290 nan 0.000 0.493 10 T N 0.151 114.720 114.554 0.026 0.000 2.930 10 T HA 0.534 4.892 4.350 0.012 0.000 0.313 10 T C 0.705 175.417 174.700 0.019 0.000 1.019 10 T CA -0.259 61.844 62.100 0.005 0.000 1.004 10 T CB 1.474 70.351 68.868 0.016 0.000 0.987 10 T HN 0.352 nan 8.240 nan 0.000 0.456 11 S N 2.370 118.054 115.700 -0.027 0.000 2.325 11 S HA 0.307 4.784 4.470 0.012 0.000 0.214 11 S C 0.291 175.028 174.600 0.229 0.000 1.031 11 S CA 0.496 58.746 58.200 0.083 0.000 0.972 11 S CB -0.322 62.922 63.200 0.074 0.000 0.908 11 S HN 0.853 nan 8.310 nan 0.000 0.453 12 F N -1.085 118.880 119.950 0.025 0.000 2.719 12 F HA 0.674 5.209 4.527 0.012 0.000 0.309 12 F C -1.383 174.420 175.800 0.005 0.000 1.138 12 F CA -1.708 56.309 58.000 0.028 0.000 0.943 12 F CB 0.755 39.766 39.000 0.019 0.000 1.304 12 F HN -0.020 nan 8.300 nan 0.000 0.445 13 I N 2.023 122.697 120.570 0.173 0.000 2.353 13 I HA 0.610 4.787 4.170 0.012 0.000 0.293 13 I C -0.554 175.652 176.117 0.150 0.000 0.992 13 I CA 0.170 61.509 61.300 0.066 0.000 1.268 13 I CB 1.517 39.529 38.000 0.020 0.000 1.387 13 I HN 0.715 nan 8.210 nan 0.000 0.478 14 T N 8.269 122.884 114.554 0.102 0.000 2.756 14 T HA 0.565 4.922 4.350 0.012 0.000 0.290 14 T C -0.280 174.443 174.700 0.038 0.000 0.985 14 T CA -0.472 61.702 62.100 0.122 0.000 0.955 14 T CB 0.445 69.408 68.868 0.159 0.000 0.930 14 T HN 0.415 nan 8.240 nan 0.000 0.451 15 L N 2.489 123.718 121.223 0.010 0.000 2.341 15 L HA 0.764 5.112 4.340 0.012 0.000 0.278 15 L C 0.013 176.886 176.870 0.003 0.000 1.005 15 L CA -1.106 53.731 54.840 -0.005 0.000 0.818 15 L CB 1.139 43.176 42.059 -0.037 0.000 1.259 15 L HN 0.788 nan 8.230 nan 0.000 0.418 16 F N 1.307 121.263 119.950 0.010 0.000 2.415 16 F HA 0.879 5.413 4.527 0.012 0.000 0.348 16 F C 0.316 176.123 175.800 0.013 0.000 1.119 16 F CA -1.039 56.968 58.000 0.011 0.000 1.069 16 F CB 1.008 40.015 39.000 0.012 0.000 1.124 16 F HN 0.690 nan 8.300 nan 0.000 0.472 17 A N 4.398 127.226 122.820 0.013 0.000 2.306 17 A HA 0.885 5.213 4.320 0.012 0.000 0.330 17 A C -2.955 174.636 177.584 0.013 0.000 1.146 17 A CA -1.893 50.153 52.037 0.016 0.000 0.827 17 A CB 0.851 19.863 19.000 0.020 0.000 1.178 17 A HN 0.568 nan 8.150 nan 0.000 0.490 18 P HA 0.455 nan 4.420 nan 0.000 0.286 18 P C 0.387 177.693 177.300 0.009 0.000 1.321 18 P CA 1.084 64.189 63.100 0.009 0.000 0.790 18 P CB 0.088 31.792 31.700 0.007 0.000 0.897 24 Q N 0.596 120.431 119.800 0.060 0.000 2.204 24 Q HA 0.369 4.716 4.340 0.012 0.000 0.198 24 Q C 2.209 178.264 176.000 0.092 0.000 0.946 24 Q CA 2.617 58.462 55.803 0.069 0.000 0.859 24 Q CB 0.018 28.788 28.738 0.053 0.000 0.946 24 Q HN 1.011 nan 8.270 nan 0.000 0.474 25 A N -0.454 122.414 122.820 0.081 0.000 1.908 25 A HA -0.161 4.167 4.320 0.012 0.000 0.218 25 A C 2.317 179.975 177.584 0.123 0.000 1.181 25 A CA 1.951 54.041 52.037 0.087 0.000 0.627 25 A CB -0.765 18.262 19.000 0.045 0.000 0.818 25 A HN 0.379 nan 8.150 nan 0.000 0.445 26 S N -1.120 114.661 115.700 0.135 0.000 2.371 26 S HA -0.049 4.429 4.470 0.012 0.000 0.224 26 S C 2.191 177.009 174.600 0.363 0.000 1.029 26 S CA 1.258 59.603 58.200 0.241 0.000 0.978 26 S CB -0.694 62.676 63.200 0.283 0.000 0.833 26 S HN 0.795 nan 8.310 nan 0.000 0.466 27 I N 1.946 122.657 120.570 0.236 0.000 2.208 27 I HA -0.196 3.981 4.170 0.012 0.000 0.245 27 I C 2.089 178.330 176.117 0.207 0.000 1.097 27 I CA 2.178 63.596 61.300 0.196 0.000 1.363 27 I CB -1.344 36.724 38.000 0.115 0.000 1.051 27 I HN 0.250 nan 8.210 nan 0.000 0.413 28 D N -0.708 119.810 120.400 0.198 0.000 2.144 28 D HA -0.116 4.531 4.640 0.012 0.000 0.200 28 D C 2.009 178.473 176.300 0.273 0.000 0.978 28 D CA 1.515 55.633 54.000 0.197 0.000 0.833 28 D CB -0.204 40.703 40.800 0.178 0.000 0.961 28 D HN 0.707 nan 8.370 nan 0.000 0.470 29 F N 0.817 120.841 119.950 0.122 0.000 2.060 29 F HA -0.246 4.288 4.527 0.012 0.000 0.295 29 F C 2.101 177.944 175.800 0.071 0.000 1.120 29 F CA 1.359 59.390 58.000 0.052 0.000 1.205 29 F CB -0.483 38.322 39.000 -0.325 0.000 0.986 29 F HN -0.131 nan 8.300 nan 0.000 0.470 30 Y N 0.820 121.182 120.300 0.103 0.000 2.403 30 Y HA -0.182 4.375 4.550 0.012 0.000 0.291 30 Y C 2.705 178.677 175.900 0.121 0.000 1.143 30 Y CA 1.536 59.640 58.100 0.007 0.000 1.257 30 Y CB -1.205 37.226 38.460 -0.047 0.000 0.984 30 Y HN 0.253 nan 8.280 nan 0.000 0.550 31 T N -3.349 111.343 114.554 0.229 0.000 2.939 31 T HA -0.052 4.305 4.350 0.012 0.000 0.254 31 T C 1.677 176.411 174.700 0.057 0.000 1.041 31 T CA 1.027 63.229 62.100 0.169 0.000 1.142 31 T CB -0.309 68.643 68.868 0.140 0.000 0.874 31 T HN 0.178 nan 8.240 nan 0.000 0.452 32 N N 0.858 119.569 118.700 0.018 0.000 2.207 32 N HA 0.149 4.897 4.740 0.012 0.000 0.182 32 N C 1.501 176.832 175.510 -0.299 0.000 1.020 32 N CA 0.946 53.914 53.050 -0.137 0.000 0.858 32 N CB -0.377 38.009 38.487 -0.168 0.000 0.991 32 N HN 0.414 nan 8.380 nan 0.000 0.427 33 F N 0.692 120.468 119.950 -0.291 0.000 2.317 33 F HA 0.206 4.741 4.527 0.012 0.000 0.293 33 F C 2.021 177.630 175.800 -0.318 0.000 1.085 33 F CA 0.502 58.261 58.000 -0.401 0.000 1.390 33 F CB 0.049 38.546 39.000 -0.839 0.000 1.077 33 F HN -0.102 nan 8.300 nan 0.000 0.517 34 L N -1.235 119.943 121.223 -0.076 0.000 2.590 34 L HA 0.376 4.724 4.340 0.012 0.000 0.227 34 L C 1.417 178.208 176.870 -0.131 0.000 1.099 34 L CA 0.612 55.422 54.840 -0.050 0.000 0.872 34 L CB -0.275 41.858 42.059 0.124 0.000 1.088 34 L HN 0.308 nan 8.230 nan 0.000 0.479 35 G N 0.539 109.294 108.800 -0.076 0.000 2.149 35 G HA2 -0.276 3.691 3.960 0.012 0.000 0.235 35 G HA3 -0.276 3.691 3.960 0.012 0.000 0.235 35 G C 0.009 174.812 174.900 -0.161 0.000 1.018 35 G CA -0.298 44.724 45.100 -0.131 0.000 0.728 35 G HN 0.122 nan 8.290 nan 0.000 0.508 36 F N 0.581 120.512 119.950 -0.032 0.000 2.368 36 F HA 0.707 5.242 4.527 0.012 0.000 0.308 36 F C 0.838 176.637 175.800 -0.001 0.000 1.198 36 F CA 0.516 58.509 58.000 -0.011 0.000 1.130 36 F CB 1.390 40.399 39.000 0.015 0.000 1.300 36 F HN 0.482 nan 8.300 nan 0.000 0.537 37 A N 0.120 123.083 122.820 0.237 0.000 2.520 37 A HA 0.696 5.024 4.320 0.012 0.000 0.298 37 A C -0.853 176.794 177.584 0.106 0.000 1.051 37 A CA -0.442 51.670 52.037 0.125 0.000 0.690 37 A CB 0.348 19.388 19.000 0.066 0.000 1.281 37 A HN 1.034 nan 8.150 nan 0.000 0.402 38 I N 0.774 121.386 120.570 0.070 0.000 2.556 38 I HA 0.671 4.848 4.170 0.012 0.000 0.284 38 I C 0.934 177.069 176.117 0.030 0.000 1.114 38 I CA 0.120 61.446 61.300 0.043 0.000 1.418 38 I CB -0.621 37.400 38.000 0.035 0.000 1.394 38 I HN 1.504 nan 8.210 nan 0.000 0.552 39 R N 4.766 125.275 120.500 0.017 0.000 2.491 39 R HA 0.658 5.006 4.340 0.012 0.000 0.283 39 R C 0.711 177.012 176.300 0.002 0.000 1.072 39 R CA 0.080 56.184 56.100 0.006 0.000 1.048 39 R CB -0.912 29.383 30.300 -0.008 0.000 0.983 39 R HN 2.199 nan 8.270 nan 0.000 0.450 40 K N 0.726 121.127 120.400 0.002 0.000 2.489 40 K HA 0.457 4.784 4.320 0.012 0.000 0.278 40 K C 1.042 177.640 176.600 -0.004 0.000 1.000 40 K CA 0.745 57.032 56.287 0.000 0.000 1.012 40 K CB -1.368 31.133 32.500 0.001 0.000 0.903 40 K HN 2.586 nan 8.250 nan 0.000 0.485 41 N N -0.314 118.385 118.700 -0.002 0.000 2.568 41 N HA 0.189 4.936 4.740 0.012 0.000 0.277 41 N C 0.351 175.856 175.510 -0.008 0.000 1.200 41 N CA 1.069 54.117 53.050 -0.004 0.000 0.702 41 N CB -2.078 36.406 38.487 -0.004 0.000 0.889 41 N HN 2.268 nan 8.380 nan 0.000 0.546 42 S N -0.302 115.394 115.700 -0.006 0.000 2.533 42 S HA 0.659 5.137 4.470 0.012 0.000 0.282 42 S C 1.752 176.346 174.600 -0.010 0.000 1.304 42 S CA 0.961 59.155 58.200 -0.010 0.000 1.063 42 S CB -0.323 62.873 63.200 -0.007 0.000 0.881 42 S HN 2.025 nan 8.310 nan 0.000 0.493 43 N N 1.214 119.905 118.700 -0.014 0.000 2.166 43 N HA 0.286 5.033 4.740 0.012 0.000 0.186 43 N C 1.038 176.542 175.510 -0.009 0.000 1.019 43 N CA 1.996 55.039 53.050 -0.012 0.000 0.856 43 N CB -0.574 37.904 38.487 -0.016 0.000 0.993 43 N HN 1.317 nan 8.380 nan 0.000 0.426 44 Q N -0.674 119.121 119.800 -0.009 0.000 2.347 44 Q HA 0.703 5.051 4.340 0.012 0.000 0.265 44 Q C 0.430 176.428 176.000 -0.003 0.000 1.024 44 Q CA 0.427 56.227 55.803 -0.005 0.000 0.731 44 Q CB -0.226 28.509 28.738 -0.006 0.000 1.245 44 Q HN 1.785 nan 8.270 nan 0.000 0.472 50 Q N 2.883 122.649 119.800 -0.056 0.000 2.431 50 Q HA 0.782 5.130 4.340 0.012 0.000 0.249 50 Q C -0.493 175.615 176.000 0.179 0.000 1.025 50 Q CA 0.016 55.817 55.803 -0.003 0.000 0.835 50 Q CB 1.228 29.847 28.738 -0.197 0.000 1.207 50 Q HN 0.844 nan 8.270 nan 0.000 0.490 51 L N 0.651 122.026 121.223 0.253 0.000 2.334 51 L HA 0.673 5.021 4.340 0.012 0.000 0.275 51 L C 1.037 178.058 176.870 0.252 0.000 1.036 51 L CA -0.412 54.590 54.840 0.271 0.000 0.807 51 L CB 1.071 43.198 42.059 0.113 0.000 1.231 51 L HN 0.948 nan 8.230 nan 0.000 0.438 52 E N 0.646 120.864 120.200 0.030 0.000 2.011 52 E HA 0.346 4.703 4.350 0.012 0.000 0.191 52 E C 0.758 177.270 176.600 -0.146 0.000 0.979 52 E CA 1.630 57.843 56.400 -0.312 0.000 0.822 52 E CB 0.426 29.765 29.700 -0.602 0.000 0.782 52 E HN 0.957 nan 8.360 nan 0.000 0.459 53 E N -0.280 119.865 120.200 -0.092 0.000 2.454 53 E HA 0.426 4.783 4.350 0.012 0.000 0.279 53 E C -1.091 175.494 176.600 -0.026 0.000 1.029 53 E CA -0.039 56.327 56.400 -0.056 0.000 0.831 53 E CB -0.025 29.631 29.700 -0.074 0.000 1.405 53 E HN 0.303 nan 8.360 nan 0.000 0.463 54 D N -1.012 119.377 120.400 -0.018 0.000 2.368 54 D HA 0.550 5.198 4.640 0.012 0.000 0.240 54 D C 1.248 177.544 176.300 -0.006 0.000 1.169 54 D CA 1.922 55.918 54.000 -0.008 0.000 0.906 54 D CB 0.060 40.856 40.800 -0.007 0.000 1.187 54 D HN 2.150 nan 8.370 nan 0.000 0.435 55 Q N -2.884 116.917 119.800 0.002 0.000 2.468 55 Q HA -0.076 4.272 4.340 0.012 0.000 0.256 55 Q C 0.560 176.565 176.000 0.009 0.000 0.984 55 Q CA 3.176 58.982 55.803 0.005 0.000 1.110 55 Q CB -2.825 25.915 28.738 0.002 0.000 1.527 55 Q HN 2.417 nan 8.270 nan 0.000 0.535 56 N N -2.026 116.682 118.700 0.012 0.000 3.100 56 N HA 0.920 5.667 4.740 0.012 0.000 0.344 56 N C 0.498 176.032 175.510 0.040 0.000 1.413 56 N CA 0.680 53.743 53.050 0.020 0.000 0.752 56 N CB 0.534 39.024 38.487 0.004 0.000 1.519 56 N HN 1.781 nan 8.380 nan 0.000 0.620 57 N N -0.622 118.113 118.700 0.060 0.000 2.361 57 N HA 0.450 5.197 4.740 0.012 0.000 0.253 57 N C -0.635 174.953 175.510 0.130 0.000 1.413 57 N CA 0.425 53.527 53.050 0.087 0.000 0.821 57 N CB -0.015 38.520 38.487 0.080 0.000 1.380 57 N HN 0.826 nan 8.380 nan 0.000 0.493 58 V N 1.085 121.081 119.914 0.138 0.000 2.432 58 V HA 0.860 4.987 4.120 0.012 0.000 0.275 58 V C 0.220 176.495 176.094 0.302 0.000 1.043 58 V CA -0.794 61.644 62.300 0.229 0.000 0.925 58 V CB 0.445 32.374 31.823 0.177 0.000 0.985 58 V HN 0.603 nan 8.190 nan 0.000 0.466 59 S N 1.513 117.425 115.700 0.352 0.000 2.543 59 S HA 0.871 5.349 4.470 0.012 0.000 0.271 59 S C -0.652 174.071 174.600 0.204 0.000 1.148 59 S CA -0.270 58.093 58.200 0.273 0.000 0.914 59 S CB 1.448 64.752 63.200 0.172 0.000 1.096 59 S HN 1.663 nan 8.310 nan 0.000 0.471 60 I N -0.203 120.366 120.570 -0.002 0.000 2.468 60 I HA 0.959 5.136 4.170 0.012 0.000 0.285 60 I C -0.041 175.996 176.117 -0.132 0.000 1.039 60 I CA -0.678 60.546 61.300 -0.126 0.000 1.074 60 I CB 0.489 38.208 38.000 -0.469 0.000 1.228 60 I HN 1.211 nan 8.210 nan 0.000 0.436 61 Q N 3.265 123.044 119.800 -0.035 0.000 2.274 61 Q HA 0.907 5.254 4.340 0.012 0.000 0.256 61 Q C -0.669 175.298 176.000 -0.056 0.000 0.927 61 Q CA -0.003 55.760 55.803 -0.067 0.000 0.939 61 Q CB 1.118 29.826 28.738 -0.050 0.000 1.201 61 Q HN 2.691 nan 8.270 nan 0.000 0.426 62 L N 0.798 121.980 121.223 -0.067 0.000 2.325 62 L HA 0.974 5.321 4.340 0.012 0.000 0.281 62 L C 0.060 176.916 176.870 -0.023 0.000 1.004 62 L CA -0.388 54.425 54.840 -0.045 0.000 0.823 62 L CB 0.457 42.487 42.059 -0.049 0.000 1.236 62 L HN 1.634 nan 8.230 nan 0.000 0.415 63 I N 1.544 122.109 120.570 -0.008 0.000 2.509 63 I HA 0.809 4.987 4.170 0.012 0.000 0.293 63 I C 1.020 177.139 176.117 0.004 0.000 1.020 63 I CA -0.086 61.213 61.300 -0.002 0.000 1.088 63 I CB 1.161 39.163 38.000 0.004 0.000 1.267 63 I HN 1.794 nan 8.210 nan 0.000 0.430 64 L N 2.494 123.719 121.223 0.005 0.000 2.627 64 L HA 0.559 4.906 4.340 0.012 0.000 0.232 64 L C 0.924 177.798 176.870 0.007 0.000 1.150 64 L CA 0.868 55.713 54.840 0.008 0.000 0.917 64 L CB -2.029 40.035 42.059 0.008 0.000 1.104 64 L HN 1.176 nan 8.230 nan 0.000 0.445 65 D N 1.033 121.437 120.400 0.007 0.000 2.425 65 D HA 0.414 5.062 4.640 0.012 0.000 0.247 65 D C -2.066 174.238 176.300 0.007 0.000 1.147 65 D CA -0.905 53.099 54.000 0.007 0.000 0.879 65 D CB 0.025 40.830 40.800 0.007 0.000 1.179 65 D HN 0.500 nan 8.370 nan 0.000 0.456 66 P HA 0.332 nan 4.420 nan 0.000 0.252 66 P C 0.186 177.489 177.300 0.006 0.000 1.694 66 P CA 0.585 63.689 63.100 0.006 0.000 1.163 66 P CB 0.298 32.001 31.700 0.005 0.000 1.934 67 E N -0.791 119.413 120.200 0.007 0.000 2.465 67 E HA 0.148 4.505 4.350 0.012 0.000 0.209 67 E C 0.815 177.419 176.600 0.006 0.000 0.951 67 E CA 0.435 56.840 56.400 0.007 0.000 0.997 67 E CB -0.128 29.577 29.700 0.008 0.000 1.025 67 E HN 0.659 nan 8.360 nan 0.000 0.500 68 H N -0.759 118.315 119.070 0.007 0.000 2.589 68 H HA 0.869 5.432 4.556 0.012 0.000 0.335 68 H C -0.002 175.329 175.328 0.005 0.000 1.019 68 H CA -0.715 55.337 56.048 0.006 0.000 1.213 68 H CB 1.023 30.790 29.762 0.008 0.000 1.472 68 H HN 0.666 nan 8.280 nan 0.000 0.508 69 A N 1.710 124.532 122.820 0.003 0.000 2.340 69 A HA 0.656 4.983 4.320 0.012 0.000 0.268 69 A C 1.894 179.478 177.584 0.001 0.000 1.100 69 A CA 0.209 52.248 52.037 0.002 0.000 0.803 69 A CB -0.179 18.822 19.000 0.001 0.000 1.043 69 A HN 1.781 nan 8.150 nan 0.000 0.488 70 A N 1.645 124.465 122.820 0.000 0.000 1.969 70 A HA 0.184 4.511 4.320 0.012 0.000 0.218 70 A C 2.432 180.014 177.584 -0.004 0.000 1.169 70 A CA 2.349 54.386 52.037 -0.001 0.000 0.635 70 A CB -1.054 17.946 19.000 -0.000 0.000 0.810 70 A HN 1.388 nan 8.150 nan 0.000 0.445 71 S N -0.233 115.466 115.700 -0.003 0.000 2.371 71 S HA 0.039 4.517 4.470 0.012 0.000 0.224 71 S C 1.996 176.593 174.600 -0.004 0.000 1.029 71 S CA 1.637 59.835 58.200 -0.004 0.000 0.978 71 S CB -0.697 62.502 63.200 -0.002 0.000 0.833 71 S HN 0.266 nan 8.310 nan 0.000 0.466 72 V N 1.900 121.812 119.914 -0.003 0.000 2.261 72 V HA -0.105 4.022 4.120 0.012 0.000 0.246 72 V C 3.250 179.341 176.094 -0.005 0.000 1.047 72 V CA 2.197 64.495 62.300 -0.003 0.000 1.015 72 V CB -1.297 30.525 31.823 -0.002 0.000 0.642 72 V HN 0.685 nan 8.190 nan 0.000 0.446 73 S N -0.172 115.524 115.700 -0.006 0.000 2.370 73 S HA -0.302 4.176 4.470 0.012 0.000 0.226 73 S C 2.169 176.760 174.600 -0.014 0.000 1.033 73 S CA 2.691 60.886 58.200 -0.009 0.000 1.011 73 S CB -0.671 62.524 63.200 -0.008 0.000 0.852 73 S HN 0.650 nan 8.310 nan 0.000 0.457 74 Q N 0.501 120.293 119.800 -0.014 0.000 2.079 74 Q HA 0.119 4.467 4.340 0.012 0.000 0.200 74 Q C 2.183 178.173 176.000 -0.015 0.000 0.974 74 Q CA 1.503 57.296 55.803 -0.017 0.000 0.840 74 Q CB -0.917 27.813 28.738 -0.014 0.000 0.898 74 Q HN 0.822 nan 8.270 nan 0.000 0.430 75 I N 1.341 121.904 120.570 -0.011 0.000 2.315 75 I HA -0.161 4.017 4.170 0.012 0.000 0.248 75 I C 2.769 178.880 176.117 -0.010 0.000 1.117 75 I CA 1.610 62.904 61.300 -0.010 0.000 1.404 75 I CB -0.463 37.533 38.000 -0.007 0.000 1.071 75 I HN 0.609 nan 8.210 nan 0.000 0.419 76 D N -0.258 120.136 120.400 -0.010 0.000 2.144 76 D HA -0.218 4.430 4.640 0.012 0.000 0.200 76 D C 2.057 178.349 176.300 -0.013 0.000 0.978 76 D CA 1.285 55.279 54.000 -0.009 0.000 0.833 76 D CB -0.508 40.288 40.800 -0.007 0.000 0.961 76 D HN 0.491 nan 8.370 nan 0.000 0.470 77 Q N -0.699 119.090 119.800 -0.020 0.000 2.050 77 Q HA -0.073 4.274 4.340 0.012 0.000 0.202 77 Q C 2.787 178.774 176.000 -0.022 0.000 0.980 77 Q CA 1.856 57.643 55.803 -0.027 0.000 0.840 77 Q CB -0.403 28.311 28.738 -0.039 0.000 0.898 77 Q HN 0.711 nan 8.270 nan 0.000 0.424 78 N N 0.494 119.183 118.700 -0.019 0.000 2.244 78 N HA -0.100 4.647 4.740 0.012 0.000 0.183 78 N C 1.941 177.444 175.510 -0.011 0.000 1.016 78 N CA 1.526 54.566 53.050 -0.015 0.000 0.866 78 N CB -1.210 37.268 38.487 -0.014 0.000 0.980 78 N HN 0.307 nan 8.380 nan 0.000 0.430 79 I N 0.503 121.068 120.570 -0.009 0.000 2.286 79 I HA 0.135 4.312 4.170 0.012 0.000 0.248 79 I C 2.910 179.024 176.117 -0.004 0.000 1.115 79 I CA 2.368 63.664 61.300 -0.006 0.000 1.392 79 I CB -2.016 35.981 38.000 -0.005 0.000 1.065 79 I HN 0.833 nan 8.210 nan 0.000 0.418 80 R N 1.177 121.674 120.500 -0.005 0.000 2.189 80 R HA -0.043 4.304 4.340 0.012 0.000 0.223 80 R C 1.355 177.655 176.300 -0.000 0.000 1.092 80 R CA 1.044 57.143 56.100 -0.002 0.000 0.989 80 R CB -1.753 28.545 30.300 -0.003 0.000 0.876 80 R HN 0.833 nan 8.270 nan 0.000 0.457 81 N N 1.020 119.718 118.700 -0.004 0.000 2.892 81 N HA 0.303 5.050 4.740 0.012 0.000 0.300 81 N C -0.739 174.771 175.510 -0.000 0.000 1.211 81 N CA 0.990 54.039 53.050 -0.002 0.000 1.158 81 N CB 0.345 38.828 38.487 -0.007 0.000 1.455 81 N HN 0.502 nan 8.380 nan 0.000 0.524 82 L N -0.334 120.891 121.223 0.003 0.000 2.676 82 L HA 0.467 4.814 4.340 0.012 0.000 0.262 82 L C 0.349 177.223 176.870 0.006 0.000 0.965 82 L CA -1.101 53.741 54.840 0.003 0.000 0.920 82 L CB 0.790 42.849 42.059 0.001 0.000 1.260 82 L HN 0.310 nan 8.230 nan 0.000 0.422 95 Q N 2.281 122.084 119.800 0.005 0.000 2.479 95 Q HA 0.655 5.003 4.340 0.012 0.000 0.276 95 Q C -0.298 175.705 176.000 0.005 0.000 0.989 95 Q CA 0.081 55.887 55.803 0.005 0.000 0.864 95 Q CB 2.194 30.936 28.738 0.006 0.000 1.444 95 Q HN 2.076 nan 8.270 nan 0.000 0.388 96 S N 2.620 118.321 115.700 0.002 0.000 2.549 96 S HA 0.341 4.819 4.470 0.012 0.000 0.283 96 S C -0.189 174.411 174.600 0.000 0.000 1.320 96 S CA -0.122 58.077 58.200 -0.002 0.000 1.058 96 S CB 0.274 63.471 63.200 -0.005 0.000 0.882 96 S HN 0.661 nan 8.310 nan 0.000 0.498 97 N N 1.258 119.954 118.700 -0.006 0.000 2.902 97 N HA 0.570 5.317 4.740 0.012 0.000 0.268 97 N C -1.836 173.651 175.510 -0.039 0.000 1.450 97 N CA -0.912 52.134 53.050 -0.007 0.000 0.819 97 N CB 1.034 39.527 38.487 0.010 0.000 1.540 97 N HN 0.532 nan 8.380 nan 0.000 0.545 98 I N 0.220 120.749 120.570 -0.068 0.000 2.466 98 I HA 0.563 4.741 4.170 0.012 0.000 0.289 98 I C -0.512 175.456 176.117 -0.248 0.000 1.026 98 I CA -0.362 60.830 61.300 -0.179 0.000 1.078 98 I CB 1.665 39.526 38.000 -0.233 0.000 1.249 98 I HN 0.825 nan 8.210 nan 0.000 0.429 99 A N 6.195 128.867 122.820 -0.246 0.000 2.325 99 A HA 0.857 5.184 4.320 0.012 0.000 0.333 99 A C -1.246 176.175 177.584 -0.272 0.000 1.155 99 A CA -0.284 51.654 52.037 -0.165 0.000 0.814 99 A CB 0.493 19.474 19.000 -0.031 0.000 1.206 99 A HN 0.467 nan 8.150 nan 0.000 0.482 100 F N 0.617 120.613 119.950 0.077 0.000 2.522 100 F HA 0.419 4.953 4.527 0.012 0.000 0.324 100 F C 0.605 176.434 175.800 0.049 0.000 1.077 100 F CA -0.504 57.543 58.000 0.078 0.000 0.944 100 F CB 2.139 41.200 39.000 0.103 0.000 1.175 100 F HN 0.421 nan 8.300 nan 0.000 0.468 101 K N 1.799 122.340 120.400 0.235 0.000 2.310 101 K HA 0.431 4.759 4.320 0.012 0.000 0.290 101 K C -0.540 176.123 176.600 0.105 0.000 1.077 101 K CA -0.162 56.206 56.287 0.134 0.000 0.922 101 K CB 1.129 33.697 32.500 0.114 0.000 1.057 101 K HN 0.526 nan 8.250 nan 0.000 0.479 102 S N 1.847 117.581 115.700 0.056 0.000 2.619 102 S HA 0.225 4.703 4.470 0.012 0.000 0.280 102 S C -0.672 173.920 174.600 -0.013 0.000 1.150 102 S CA -0.803 57.408 58.200 0.017 0.000 0.978 102 S CB 1.056 64.264 63.200 0.015 0.000 1.041 102 S HN 0.588 nan 8.310 nan 0.000 0.485 103 S N 3.441 119.132 115.700 -0.016 0.000 2.580 103 S HA 0.506 4.984 4.470 0.012 0.000 0.274 103 S C 0.247 174.833 174.600 -0.024 0.000 1.329 103 S CA 0.203 58.391 58.200 -0.020 0.000 1.036 103 S CB 0.664 63.858 63.200 -0.010 0.000 0.919 103 S HN 2.108 nan 8.310 nan 0.000 0.515 104 S N 1.031 116.716 115.700 -0.024 0.000 3.386 104 S HA -0.146 4.332 4.470 0.012 0.000 0.403 104 S C 0.430 175.020 174.600 -0.017 0.000 0.893 104 S CA 0.684 58.873 58.200 -0.018 0.000 1.336 104 S CB -2.593 60.600 63.200 -0.012 0.000 0.925 104 S HN 0.828 nan 8.310 nan 0.000 0.589 105 L N 1.653 122.863 121.223 -0.022 0.000 2.131 105 L HA -0.118 4.230 4.340 0.012 0.000 0.210 105 L C 2.773 179.646 176.870 0.006 0.000 1.092 105 L CA 1.841 56.674 54.840 -0.011 0.000 0.759 105 L CB -0.883 41.163 42.059 -0.023 0.000 0.903 105 L HN 0.879 nan 8.230 nan 0.000 0.435 106 S N 0.066 115.770 115.700 0.008 0.000 2.380 106 S HA -0.326 4.151 4.470 0.012 0.000 0.229 106 S C 2.344 176.955 174.600 0.018 0.000 1.043 106 S CA 1.809 60.022 58.200 0.020 0.000 1.038 106 S CB -0.901 62.312 63.200 0.022 0.000 0.872 106 S HN 0.497 nan 8.310 nan 0.000 0.456 107 K N 1.430 121.835 120.400 0.008 0.000 2.097 107 K HA 0.345 4.672 4.320 0.012 0.000 0.205 107 K C 2.695 179.299 176.600 0.007 0.000 1.050 107 K CA 1.561 57.849 56.287 0.002 0.000 0.938 107 K CB -1.954 30.540 32.500 -0.010 0.000 0.718 107 K HN 0.756 nan 8.250 nan 0.000 0.442 108 L N 0.170 121.399 121.223 0.010 0.000 2.109 108 L HA 0.116 4.463 4.340 0.012 0.000 0.207 108 L C 2.836 179.740 176.870 0.057 0.000 1.086 108 L CA 1.977 56.831 54.840 0.024 0.000 0.760 108 L CB -1.240 40.828 42.059 0.014 0.000 0.910 108 L HN 0.306 nan 8.230 nan 0.000 0.437 109 V N 0.686 120.631 119.914 0.051 0.000 2.343 109 V HA -0.272 3.856 4.120 0.012 0.000 0.247 109 V C 3.325 179.462 176.094 0.072 0.000 1.051 109 V CA 2.721 65.060 62.300 0.065 0.000 1.036 109 V CB -1.143 30.712 31.823 0.054 0.000 0.654 109 V HN 0.830 nan 8.190 nan 0.000 0.451 110 K N -0.097 120.335 120.400 0.054 0.000 2.057 110 K HA -0.048 4.280 4.320 0.012 0.000 0.207 110 K C 2.257 178.898 176.600 0.069 0.000 1.049 110 K CA 2.050 58.365 56.287 0.047 0.000 0.931 110 K CB -1.626 30.889 32.500 0.024 0.000 0.714 110 K HN 0.572 nan 8.250 nan 0.000 0.440 111 L N 0.258 121.523 121.223 0.070 0.000 2.131 111 L HA 0.209 4.556 4.340 0.012 0.000 0.210 111 L C 2.834 179.849 176.870 0.242 0.000 1.092 111 L CA 2.224 57.114 54.840 0.083 0.000 0.759 111 L CB -1.210 40.860 42.059 0.019 0.000 0.903 111 L HN 0.489 nan 8.230 nan 0.000 0.435 112 L N -0.110 121.277 121.223 0.273 0.000 2.049 112 L HA -0.083 4.265 4.340 0.012 0.000 0.203 112 L C 3.391 180.442 176.870 0.301 0.000 1.074 112 L CA 1.605 56.663 54.840 0.363 0.000 0.749 112 L CB -0.788 41.398 42.059 0.212 0.000 0.907 112 L HN 0.527 nan 8.230 nan 0.000 0.439 113 K N 0.099 120.606 120.400 0.178 0.000 2.044 113 K HA -0.269 4.059 4.320 0.012 0.000 0.210 113 K C 1.636 178.299 176.600 0.106 0.000 1.049 113 K CA 2.409 58.767 56.287 0.118 0.000 0.927 113 K CB -1.349 31.196 32.500 0.076 0.000 0.713 113 K HN 0.391 nan 8.250 nan 0.000 0.443 114 D N -0.807 119.659 120.400 0.110 0.000 2.269 114 D HA 0.042 4.690 4.640 0.012 0.000 0.208 114 D C 1.866 178.238 176.300 0.121 0.000 0.963 114 D CA 1.009 55.061 54.000 0.087 0.000 0.864 114 D CB 0.057 40.892 40.800 0.058 0.000 0.936 114 D HN 0.524 nan 8.370 nan 0.000 0.505 115 G N -0.928 108.012 108.800 0.232 0.000 2.985 115 G HA2 0.298 4.266 3.960 0.012 0.000 0.209 115 G HA3 0.298 4.266 3.960 0.012 0.000 0.209 115 G C 1.104 176.122 174.900 0.197 0.000 1.165 115 G CA 0.134 45.449 45.100 0.359 0.000 0.776 115 G HN 0.370 nan 8.290 nan 0.000 0.541 116 G N 0.000 108.835 108.800 0.057 0.000 2.149 116 G HA2 -0.218 3.750 3.960 0.012 0.000 0.235 116 G HA3 -0.218 3.750 3.960 0.012 0.000 0.235 116 G C -0.136 174.587 174.900 -0.296 0.000 1.018 116 G CA -0.136 44.896 45.100 -0.113 0.000 0.728 116 G HN 0.605 nan 8.290 nan 0.000 0.508 117 H N 0.199 119.284 119.070 0.025 0.000 2.505 117 H HA 0.394 4.957 4.556 0.012 0.000 0.338 117 H C -2.419 172.912 175.328 0.004 0.000 1.057 117 H CA -1.515 54.518 56.048 -0.024 0.000 1.202 117 H CB 2.177 31.903 29.762 -0.060 0.000 1.466 117 H HN 0.154 nan 8.280 nan 0.000 0.499 118 P HA 0.133 nan 4.420 nan 0.000 0.278 118 P C -0.570 176.776 177.300 0.076 0.000 1.238 118 P CA -0.433 62.706 63.100 0.066 0.000 0.794 118 P CB 1.141 32.861 31.700 0.034 0.000 0.955 119 V N 0.570 120.524 119.914 0.068 0.000 2.962 119 V HA 0.545 4.672 4.120 0.012 0.000 0.313 119 V C -0.512 175.616 176.094 0.056 0.000 1.099 119 V CA -0.878 61.462 62.300 0.067 0.000 0.971 119 V CB 1.783 33.651 31.823 0.076 0.000 1.028 119 V HN 0.486 nan 8.190 nan 0.000 0.430 120 Q N 2.313 122.145 119.800 0.054 0.000 2.333 120 Q HA 0.680 5.027 4.340 0.012 0.000 0.267 120 Q C -1.111 174.919 176.000 0.050 0.000 1.012 120 Q CA -0.554 55.278 55.803 0.048 0.000 0.824 120 Q CB 2.085 30.849 28.738 0.043 0.000 1.290 120 Q HN 0.949 nan 8.270 nan 0.000 0.449 121 Q N 0.989 120.819 119.800 0.050 0.000 2.565 121 Q HA 0.422 4.770 4.340 0.012 0.000 0.294 121 Q C -0.654 175.375 176.000 0.048 0.000 1.005 121 Q CA -0.758 55.074 55.803 0.048 0.000 0.771 121 Q CB 1.530 30.299 28.738 0.051 0.000 1.486 121 Q HN 0.539 nan 8.270 nan 0.000 0.422 122 S N 0.047 115.774 115.700 0.045 0.000 2.310 122 S HA 0.094 4.571 4.470 0.012 0.000 0.201 122 S C -1.041 173.590 174.600 0.051 0.000 1.032 122 S CA 1.146 59.375 58.200 0.048 0.000 0.993 122 S CB -0.744 62.488 63.200 0.052 0.000 0.970 122 S HN 0.809 nan 8.310 nan 0.000 0.446 123 P HA 0.391 nan 4.420 nan 0.000 0.272 123 P C 0.116 177.452 177.300 0.060 0.000 1.408 123 P CA 1.081 64.210 63.100 0.048 0.000 0.996 123 P CB -0.798 30.926 31.700 0.040 0.000 1.481 124 N N -1.098 117.649 118.700 0.079 0.000 2.753 124 N HA -0.300 4.448 4.740 0.012 0.000 0.251 124 N C 0.934 176.515 175.510 0.118 0.000 1.097 124 N CA 1.872 54.992 53.050 0.116 0.000 0.786 124 N CB -2.439 36.158 38.487 0.183 0.000 1.137 124 N HN 0.527 nan 8.380 nan 0.000 0.566 125 E N -1.771 118.474 120.200 0.075 0.000 2.290 125 E HA 0.750 5.108 4.350 0.012 0.000 0.197 125 E C 1.457 178.083 176.600 0.043 0.000 0.948 125 E CA 2.194 58.630 56.400 0.060 0.000 0.895 125 E CB 0.009 29.732 29.700 0.038 0.000 0.865 125 E HN 2.504 nan 8.360 nan 0.000 0.486 126 I N -1.547 119.039 120.570 0.026 0.000 3.093 126 I HA 0.731 4.908 4.170 0.012 0.000 0.308 126 I C 0.995 177.103 176.117 -0.015 0.000 1.303 126 I CA -0.014 61.299 61.300 0.022 0.000 0.975 126 I CB 1.506 39.526 38.000 0.033 0.000 1.286 126 I HN 0.046 nan 8.210 nan 0.000 0.459 127 S N 0.579 116.269 115.700 -0.016 0.000 2.500 127 S HA 0.465 4.943 4.470 0.012 0.000 0.174 127 S C -2.208 172.328 174.600 -0.107 0.000 0.857 127 S CA 0.819 58.973 58.200 -0.077 0.000 0.905 127 S CB 0.050 63.256 63.200 0.010 0.000 0.819 127 S HN 0.837 nan 8.310 nan 0.000 0.557 128 P HA 0.430 nan 4.420 nan 0.000 0.300 128 P C -1.312 175.998 177.300 0.016 0.000 1.326 128 P CA -0.264 62.824 63.100 -0.019 0.000 0.844 128 P CB 0.466 32.177 31.700 0.018 0.000 0.992 129 F N 1.787 121.753 119.950 0.028 0.000 2.420 129 F HA 0.621 5.156 4.527 0.012 0.000 0.342 129 F C 0.265 176.110 175.800 0.075 0.000 1.113 129 F CA -0.748 57.282 58.000 0.051 0.000 1.059 129 F CB 0.926 39.956 39.000 0.050 0.000 1.128 129 F HN 0.361 nan 8.300 nan 0.000 0.475 130 E N 3.614 123.859 120.200 0.074 0.000 2.283 130 E HA 0.617 4.974 4.350 0.012 0.000 0.258 130 E C -0.714 175.933 176.600 0.078 0.000 0.893 130 E CA -0.213 56.236 56.400 0.083 0.000 0.798 130 E CB 1.613 31.352 29.700 0.065 0.000 1.242 130 E HN 1.010 nan 8.360 nan 0.000 0.414 131 V N 0.791 120.760 119.914 0.093 0.000 3.229 131 V HA 0.941 5.068 4.120 0.012 0.000 0.310 131 V C -0.769 175.347 176.094 0.037 0.000 1.206 131 V CA -0.829 61.512 62.300 0.069 0.000 1.051 131 V CB 1.348 33.217 31.823 0.077 0.000 1.183 131 V HN 0.687 nan 8.190 nan 0.000 0.466 132 Y N -0.929 119.342 120.300 -0.048 0.000 2.492 132 Y HA 0.920 5.477 4.550 0.012 0.000 0.346 132 Y C 0.148 175.814 175.900 -0.390 0.000 0.997 132 Y CA 0.026 58.052 58.100 -0.123 0.000 1.025 132 Y CB 1.114 39.534 38.460 -0.066 0.000 1.263 132 Y HN 1.730 nan 8.280 nan 0.000 0.454 133 T N -0.244 114.039 114.554 -0.452 0.000 2.688 133 T HA 0.682 5.039 4.350 0.012 0.000 0.249 133 T C 1.794 176.318 174.700 -0.293 0.000 0.944 133 T CA 0.793 62.466 62.100 -0.712 0.000 1.058 133 T CB -0.307 68.078 68.868 -0.806 0.000 1.673 133 T HN 1.982 nan 8.240 nan 0.000 0.565 134 V N -0.034 119.769 119.914 -0.185 0.000 2.809 134 V HA 0.374 4.502 4.120 0.012 0.000 0.256 134 V C 1.359 177.444 176.094 -0.015 0.000 1.080 134 V CA 2.222 64.481 62.300 -0.068 0.000 1.102 134 V CB -1.572 30.238 31.823 -0.021 0.000 0.705 134 V HN 0.972 nan 8.190 nan 0.000 0.475 135 D N 2.615 123.033 120.400 0.030 0.000 2.499 135 D HA 0.536 5.183 4.640 0.012 0.000 0.225 135 D C -2.474 173.865 176.300 0.064 0.000 1.124 135 D CA -1.263 52.787 54.000 0.083 0.000 0.938 135 D CB 0.320 41.228 40.800 0.180 0.000 1.014 135 D HN 0.546 nan 8.370 nan 0.000 0.517 136 P HA 0.497 nan 4.420 nan 0.000 0.274 136 P C 0.897 178.223 177.300 0.042 0.000 1.256 136 P CA 0.170 63.273 63.100 0.005 0.000 0.795 136 P CB 1.019 32.712 31.700 -0.011 0.000 1.038 137 L N -1.242 120.005 121.223 0.040 0.000 3.546 137 L HA -0.008 4.339 4.340 0.012 0.000 0.668 137 L C 0.548 177.479 176.870 0.101 0.000 1.139 137 L CA 0.684 55.558 54.840 0.058 0.000 1.122 137 L CB -2.670 39.411 42.059 0.036 0.000 1.545 137 L HN 0.832 nan 8.230 nan 0.000 0.851 138 G N 1.716 110.610 108.800 0.157 0.000 2.800 138 G HA2 0.857 4.824 3.960 0.012 0.000 0.340 138 G HA3 0.857 4.824 3.960 0.012 0.000 0.340 138 G C 0.543 175.600 174.900 0.260 0.000 1.089 138 G CA 0.816 46.084 45.100 0.279 0.000 1.144 138 G HN 2.475 nan 8.290 nan 0.000 0.461 139 S N 0.783 116.592 115.700 0.182 0.000 2.603 139 S HA 0.790 5.268 4.470 0.012 0.000 0.268 139 S C -0.230 174.513 174.600 0.239 0.000 1.317 139 S CA -0.058 58.232 58.200 0.151 0.000 1.012 139 S CB 0.674 63.915 63.200 0.068 0.000 0.926 139 S HN 0.495 nan 8.310 nan 0.000 0.539 140 L N 1.399 122.729 121.223 0.178 0.000 2.528 140 L HA 0.640 4.987 4.340 0.012 0.000 0.267 140 L C -0.057 176.856 176.870 0.072 0.000 0.961 140 L CA -0.209 54.742 54.840 0.186 0.000 0.866 140 L CB 1.252 43.415 42.059 0.173 0.000 1.248 140 L HN 0.779 nan 8.230 nan 0.000 0.404 141 I N 0.291 120.888 120.570 0.046 0.000 2.460 141 I HA 0.827 5.005 4.170 0.012 0.000 0.298 141 I C 1.139 177.165 176.117 -0.151 0.000 0.989 141 I CA -0.106 61.157 61.300 -0.060 0.000 1.173 141 I CB 1.577 39.585 38.000 0.013 0.000 1.338 141 I HN 0.734 nan 8.210 nan 0.000 0.456 142 G N 3.113 111.664 108.800 -0.415 0.000 3.327 142 G HA2 0.438 4.405 3.960 0.012 0.000 0.240 142 G HA3 0.438 4.405 3.960 0.012 0.000 0.240 142 G C -0.005 174.646 174.900 -0.416 0.000 1.222 142 G CA 0.206 45.059 45.100 -0.411 0.000 0.871 142 G HN 0.535 nan 8.290 nan 0.000 0.525 146 F N 1.057 120.924 119.950 -0.138 0.000 2.611 146 F HA 0.912 5.447 4.527 0.012 0.000 0.324 146 F C 0.554 176.037 175.800 -0.528 0.000 1.061 146 F CA -0.436 57.436 58.000 -0.214 0.000 0.954 146 F CB 0.245 39.168 39.000 -0.129 0.000 1.301 146 F HN 0.716 nan 8.300 nan 0.000 0.482 147 K N 1.837 122.001 120.400 -0.392 0.000 2.511 147 K HA 0.394 4.721 4.320 0.012 0.000 0.277 147 K C -0.201 176.156 176.600 -0.405 0.000 1.025 147 K CA 1.016 57.074 56.287 -0.382 0.000 1.112 147 K CB -0.723 31.700 32.500 -0.128 0.000 0.859 147 K HN 1.946 nan 8.250 nan 0.000 0.485 148 N N 2.004 120.451 118.700 -0.421 0.000 4.409 148 N HA 0.148 4.895 4.740 0.012 0.000 0.208 148 N C -3.231 172.288 175.510 0.016 0.000 1.233 148 N CA -0.962 51.964 53.050 -0.207 0.000 0.881 148 N CB 1.285 39.611 38.487 -0.269 0.000 1.507 148 N HN 0.245 nan 8.380 nan 0.000 0.511 149 P HA 0.152 nan 4.420 nan 0.000 0.263 149 P C 0.368 177.824 177.300 0.261 0.000 1.195 149 P CA 0.393 63.595 63.100 0.169 0.000 0.762 149 P CB -0.528 31.227 31.700 0.091 0.000 0.799 150 F N 1.024 121.189 119.950 0.358 0.000 2.724 150 F HA 0.234 4.769 4.527 0.012 0.000 0.313 150 F C 1.163 177.074 175.800 0.185 0.000 1.177 150 F CA -0.895 57.280 58.000 0.291 0.000 1.352 150 F CB -0.962 38.037 39.000 -0.001 0.000 1.074 150 F HN 0.628 nan 8.300 nan 0.000 0.629 151 A N 0.628 123.523 122.820 0.125 0.000 2.450 151 A HA 0.616 4.943 4.320 0.012 0.000 0.255 151 A C 0.396 178.006 177.584 0.044 0.000 1.096 151 A CA 0.133 52.220 52.037 0.084 0.000 0.778 151 A CB -0.668 18.371 19.000 0.066 0.000 1.031 151 A HN 2.715 nan 8.150 nan 0.000 0.494 152 V N 1.889 121.827 119.914 0.041 0.000 2.694 152 V HA 0.337 4.464 4.120 0.012 0.000 0.306 152 V C 0.869 176.971 176.094 0.013 0.000 1.054 152 V CA 0.594 62.909 62.300 0.026 0.000 1.161 152 V CB -0.934 30.903 31.823 0.024 0.000 0.916 152 V HN 1.337 nan 8.190 nan 0.000 0.490 153 N N 3.587 122.292 118.700 0.007 0.000 2.438 153 N HA 0.512 5.259 4.740 0.012 0.000 0.267 153 N C 0.328 175.836 175.510 -0.003 0.000 1.222 153 N CA 0.470 53.520 53.050 -0.001 0.000 0.930 153 N CB -0.117 38.369 38.487 -0.002 0.000 1.083 153 N HN 1.782 nan 8.380 nan 0.000 0.476 154 E N 0.554 120.749 120.200 -0.007 0.000 2.413 154 E HA 0.605 4.962 4.350 0.012 0.000 0.263 154 E C 1.233 177.825 176.600 -0.013 0.000 1.015 154 E CA 0.682 57.076 56.400 -0.010 0.000 0.916 154 E CB -0.468 29.223 29.700 -0.015 0.000 0.947 154 E HN 2.231 nan 8.360 nan 0.000 0.440 181 R N 2.307 122.802 120.500 -0.009 0.000 2.394 181 R HA 0.298 4.646 4.340 0.012 0.000 0.220 181 R C 0.566 176.873 176.300 0.012 0.000 0.887 181 R CA -0.266 55.831 56.100 -0.003 0.000 1.034 181 R CB 0.008 30.303 30.300 -0.007 0.000 1.179 181 R HN 0.552 nan 8.270 nan 0.000 0.561 182 K N 2.928 123.336 120.400 0.014 0.000 2.569 182 K HA -0.037 4.291 4.320 0.012 0.000 0.280 182 K C -0.227 176.410 176.600 0.061 0.000 0.984 182 K CA 0.864 57.171 56.287 0.034 0.000 1.064 182 K CB 0.096 32.608 32.500 0.020 0.000 0.866 182 K HN 0.143 nan 8.250 nan 0.000 0.492 183 T N 1.454 116.071 114.554 0.105 0.000 2.779 183 T HA 0.337 4.695 4.350 0.012 0.000 0.296 183 T C 0.413 175.210 174.700 0.161 0.000 0.938 183 T CA -0.765 61.431 62.100 0.161 0.000 1.119 183 T CB 0.057 69.084 68.868 0.265 0.000 0.891 183 T HN 0.478 nan 8.240 nan 0.000 0.526 184 I N 2.808 123.465 120.570 0.145 0.000 2.577 184 I HA 0.577 4.754 4.170 0.012 0.000 0.300 184 I C 1.041 177.266 176.117 0.180 0.000 0.990 184 I CA -0.599 60.771 61.300 0.116 0.000 1.283 184 I CB 1.356 39.389 38.000 0.055 0.000 1.411 184 I HN 0.898 nan 8.210 nan 0.000 0.515 185 G N 4.590 113.468 108.800 0.131 0.000 2.626 185 G HA2 0.607 4.574 3.960 0.012 0.000 0.304 185 G HA3 0.607 4.574 3.960 0.012 0.000 0.304 185 G C -1.026 173.924 174.900 0.084 0.000 1.385 185 G CA -0.374 44.807 45.100 0.136 0.000 0.957 185 G HN 0.400 nan 8.290 nan 0.000 0.504 186 V N 1.328 121.289 119.914 0.080 0.000 2.547 186 V HA 0.879 5.006 4.120 0.012 0.000 0.299 186 V C 0.182 176.287 176.094 0.019 0.000 1.040 186 V CA -0.912 61.425 62.300 0.062 0.000 0.913 186 V CB 0.989 32.855 31.823 0.071 0.000 0.992 186 V HN 1.005 nan 8.190 nan 0.000 0.449 187 M N 2.056 121.644 119.600 -0.020 0.000 2.520 187 M HA 0.843 5.331 4.480 0.012 0.000 0.283 187 M C -0.698 175.523 176.300 -0.132 0.000 1.237 187 M CA -0.463 54.767 55.300 -0.116 0.000 0.885 187 M CB 2.546 35.004 32.600 -0.237 0.000 1.727 187 M HN 0.643 nan 8.290 nan 0.000 0.468 188 T N -1.049 113.409 114.554 -0.161 0.000 2.863 188 T HA 0.800 5.158 4.350 0.012 0.000 0.285 188 T C -0.623 173.957 174.700 -0.200 0.000 1.009 188 T CA -0.700 61.307 62.100 -0.154 0.000 0.989 188 T CB 1.803 70.611 68.868 -0.099 0.000 1.004 188 T HN 0.754 nan 8.240 nan 0.000 0.455 189 S N 0.452 116.044 115.700 -0.181 0.000 2.632 189 S HA 0.888 5.365 4.470 0.012 0.000 0.289 189 S C 0.383 174.942 174.600 -0.067 0.000 1.115 189 S CA 0.560 58.672 58.200 -0.147 0.000 0.889 189 S CB 0.955 64.046 63.200 -0.181 0.000 1.116 189 S HN 1.980 nan 8.310 nan 0.000 0.486 190 G N 0.932 109.719 108.800 -0.022 0.000 2.750 190 G HA2 0.073 4.040 3.960 0.012 0.000 0.228 190 G HA3 0.073 4.040 3.960 0.012 0.000 0.228 190 G C 0.273 175.173 174.900 -0.001 0.000 1.367 190 G CA -0.367 44.735 45.100 0.002 0.000 0.871 190 G HN 1.309 nan 8.290 nan 0.000 0.560 191 G N -0.627 108.182 108.800 0.014 0.000 2.554 191 G HA2 0.454 4.422 3.960 0.012 0.000 0.238 191 G HA3 0.454 4.422 3.960 0.012 0.000 0.238 191 G C 0.018 174.928 174.900 0.017 0.000 1.259 191 G CA 0.645 45.761 45.100 0.027 0.000 0.843 191 G HN 0.865 nan 8.290 nan 0.000 0.582 192 D N -0.333 120.094 120.400 0.045 0.000 2.533 192 D HA 0.301 4.948 4.640 0.012 0.000 0.236 192 D C 0.264 176.557 176.300 -0.012 0.000 1.137 192 D CA 1.250 55.267 54.000 0.028 0.000 0.867 192 D CB 0.728 41.584 40.800 0.094 0.000 1.170 192 D HN 0.253 nan 8.370 nan 0.000 0.474 193 S N 2.064 117.748 115.700 -0.026 0.000 2.733 193 S HA 0.428 4.905 4.470 0.012 0.000 0.294 193 S C -2.735 171.854 174.600 -0.018 0.000 1.149 193 S CA -1.809 56.374 58.200 -0.028 0.000 1.034 193 S CB 0.917 64.097 63.200 -0.035 0.000 1.015 193 S HN 0.079 nan 8.310 nan 0.000 0.486 194 P HA 0.294 nan 4.420 nan 0.000 0.264 194 P C 0.820 178.143 177.300 0.039 0.000 1.193 194 P CA 0.923 64.029 63.100 0.010 0.000 0.763 194 P CB 0.505 32.217 31.700 0.019 0.000 0.810 195 G N 2.536 111.362 108.800 0.043 0.000 2.211 195 G HA2 -0.253 3.715 3.960 0.012 0.000 0.201 195 G HA3 -0.253 3.715 3.960 0.012 0.000 0.201 195 G C 0.996 175.950 174.900 0.090 0.000 0.997 195 G CA 0.079 45.223 45.100 0.074 0.000 0.652 195 G HN 0.405 nan 8.290 nan 0.000 0.500 196 M N 0.416 120.046 119.600 0.050 0.000 2.132 196 M HA -0.037 4.450 4.480 0.012 0.000 0.263 196 M C 2.423 178.810 176.300 0.146 0.000 1.065 196 M CA 1.606 56.943 55.300 0.061 0.000 1.122 196 M CB -0.588 32.006 32.600 -0.010 0.000 1.365 196 M HN 0.281 nan 8.290 nan 0.000 0.411 197 N N 0.409 119.164 118.700 0.092 0.000 2.058 197 N HA -0.092 4.656 4.740 0.012 0.000 0.191 197 N C -0.878 174.796 175.510 0.273 0.000 1.037 197 N CA 1.439 54.592 53.050 0.171 0.000 0.848 197 N CB -1.904 36.575 38.487 -0.013 0.000 1.021 197 N HN 0.179 nan 8.380 nan 0.000 0.422 198 P HA -0.143 nan 4.420 nan 0.000 0.216 198 P C 1.493 178.851 177.300 0.096 0.000 1.154 198 P CA 0.929 64.098 63.100 0.114 0.000 0.865 198 P CB -0.161 31.591 31.700 0.087 0.000 0.789 199 F N 0.130 120.091 119.950 0.017 0.000 2.075 199 F HA -0.209 4.325 4.527 0.012 0.000 0.297 199 F C 2.016 177.810 175.800 -0.010 0.000 1.113 199 F CA 1.478 59.474 58.000 -0.006 0.000 1.218 199 F CB -0.866 38.133 39.000 -0.002 0.000 0.984 199 F HN -0.311 nan 8.300 nan 0.000 0.472 200 V N 1.263 121.287 119.914 0.185 0.000 2.287 200 V HA -0.333 3.794 4.120 0.012 0.000 0.248 200 V C 2.552 178.568 176.094 -0.129 0.000 1.053 200 V CA 2.302 64.649 62.300 0.078 0.000 1.027 200 V CB -0.942 31.056 31.823 0.293 0.000 0.646 200 V HN 0.365 nan 8.190 nan 0.000 0.447 201 R N 0.362 120.809 120.500 -0.089 0.000 2.113 201 R HA -0.257 4.091 4.340 0.012 0.000 0.244 201 R C 2.295 178.357 176.300 -0.396 0.000 1.142 201 R CA 2.081 57.991 56.100 -0.317 0.000 0.953 201 R CB -0.550 29.634 30.300 -0.193 0.000 0.860 201 R HN 0.491 nan 8.270 nan 0.000 0.438 202 A N 0.118 122.733 122.820 -0.341 0.000 1.883 202 A HA -0.126 4.201 4.320 0.012 0.000 0.217 202 A C 2.325 179.661 177.584 -0.413 0.000 1.186 202 A CA 1.805 53.613 52.037 -0.381 0.000 0.624 202 A CB -0.689 18.099 19.000 -0.353 0.000 0.822 202 A HN 0.252 nan 8.150 nan 0.000 0.444 203 V N -0.283 119.346 119.914 -0.475 0.000 2.343 203 V HA -0.242 3.886 4.120 0.012 0.000 0.247 203 V C 2.593 178.519 176.094 -0.281 0.000 1.051 203 V CA 2.009 64.075 62.300 -0.390 0.000 1.036 203 V CB -0.845 30.724 31.823 -0.423 0.000 0.654 203 V HN 0.381 nan 8.190 nan 0.000 0.451 204 V N -0.158 119.568 119.914 -0.313 0.000 2.261 204 V HA -0.283 3.844 4.120 0.012 0.000 0.246 204 V C 2.563 178.457 176.094 -0.334 0.000 1.047 204 V CA 2.286 64.403 62.300 -0.306 0.000 1.015 204 V CB -0.773 30.823 31.823 -0.378 0.000 0.642 204 V HN 0.451 nan 8.190 nan 0.000 0.446 205 R N -0.112 120.075 120.500 -0.522 0.000 2.066 205 R HA -0.042 4.306 4.340 0.012 0.000 0.232 205 R C 2.491 178.618 176.300 -0.288 0.000 1.131 205 R CA 1.388 57.047 56.100 -0.736 0.000 0.955 205 R CB -0.672 28.828 30.300 -1.334 0.000 0.851 205 R HN 0.522 nan 8.270 nan 0.000 0.432 206 A N 0.723 123.399 122.820 -0.239 0.000 1.883 206 A HA -0.135 4.192 4.320 0.012 0.000 0.217 206 A C 2.385 179.999 177.584 0.050 0.000 1.186 206 A CA 1.964 53.954 52.037 -0.078 0.000 0.624 206 A CB -1.363 17.556 19.000 -0.135 0.000 0.822 206 A HN 0.492 nan 8.150 nan 0.000 0.444 207 G N -0.309 108.477 108.800 -0.023 0.000 2.418 207 G HA2 -0.178 3.789 3.960 0.012 0.000 0.217 207 G HA3 -0.178 3.789 3.960 0.012 0.000 0.217 207 G C 1.549 176.480 174.900 0.050 0.000 1.158 207 G CA 1.092 46.196 45.100 0.006 0.000 0.771 207 G HN 0.474 nan 8.290 nan 0.000 0.545 208 I N -0.726 119.890 120.570 0.076 0.000 2.142 208 I HA -0.181 3.997 4.170 0.012 0.000 0.240 208 I C 2.445 178.693 176.117 0.219 0.000 1.078 208 I CA 1.393 62.785 61.300 0.153 0.000 1.343 208 I CB -0.284 37.862 38.000 0.244 0.000 1.046 208 I HN 0.273 nan 8.210 nan 0.000 0.405 209 Y N 2.069 122.485 120.300 0.192 0.000 2.165 209 Y HA -0.246 4.312 4.550 0.013 0.000 0.286 209 Y C 2.111 178.041 175.900 0.050 0.000 1.155 209 Y CA 1.604 59.793 58.100 0.147 0.000 1.164 209 Y CB -0.065 38.514 38.460 0.199 0.000 0.978 209 Y HN -0.056 nan 8.280 nan 0.000 0.513 210 K N 0.602 121.056 120.400 0.089 0.000 2.551 210 K HA 0.121 4.448 4.320 0.012 0.000 0.192 210 K C 1.038 177.608 176.600 -0.050 0.000 1.027 210 K CA 0.799 57.065 56.287 -0.035 0.000 1.059 210 K CB -0.761 31.765 32.500 0.043 0.000 0.831 210 K HN 0.575 nan 8.250 nan 0.000 0.508 211 G N 1.832 110.611 108.800 -0.034 0.000 2.212 211 G HA2 -0.273 3.695 3.960 0.012 0.000 0.255 211 G HA3 -0.273 3.695 3.960 0.012 0.000 0.255 211 G C 0.151 175.045 174.900 -0.009 0.000 1.062 211 G CA 0.210 45.291 45.100 -0.033 0.000 0.815 211 G HN 0.376 nan 8.290 nan 0.000 0.497 212 C N -1.650 117.655 119.300 0.008 0.000 2.698 212 C HA 0.812 5.279 4.460 0.012 0.000 0.309 212 C C 0.310 175.304 174.990 0.006 0.000 1.186 212 C CA -2.143 56.884 59.018 0.014 0.000 1.474 212 C CB 1.478 29.232 27.740 0.024 0.000 2.020 212 C HN 0.481 nan 8.230 nan 0.000 0.474 213 K N 1.633 122.038 120.400 0.009 0.000 2.447 213 K HA 0.415 4.743 4.320 0.012 0.000 0.281 213 K C -0.466 176.102 176.600 -0.053 0.000 1.031 213 K CA 0.145 56.399 56.287 -0.056 0.000 1.019 213 K CB 0.537 33.016 32.500 -0.035 0.000 0.918 213 K HN 0.599 nan 8.250 nan 0.000 0.476 214 V N 5.335 125.156 119.914 -0.156 0.000 2.398 214 V HA 0.359 4.487 4.120 0.012 0.000 0.286 214 V C -0.560 175.405 176.094 -0.216 0.000 1.026 214 V CA -0.738 61.502 62.300 -0.099 0.000 0.868 214 V CB 0.619 32.382 31.823 -0.101 0.000 0.982 214 V HN 0.493 nan 8.190 nan 0.000 0.443 215 F N 2.414 122.370 119.950 0.011 0.000 2.458 215 F HA 0.471 5.006 4.527 0.012 0.000 0.336 215 F C 0.328 176.150 175.800 0.037 0.000 1.114 215 F CA -0.418 57.603 58.000 0.035 0.000 0.987 215 F CB 1.487 40.517 39.000 0.050 0.000 1.130 215 F HN 0.361 nan 8.300 nan 0.000 0.458 216 C N 5.298 124.739 119.300 0.235 0.000 2.246 216 C HA 0.485 4.953 4.460 0.012 0.000 0.329 216 C C 0.366 175.479 174.990 0.204 0.000 1.221 216 C CA -0.980 58.131 59.018 0.154 0.000 1.697 216 C CB -0.926 26.883 27.740 0.114 0.000 2.312 216 C HN 0.528 nan 8.230 nan 0.000 0.509 217 I N 5.573 126.207 120.570 0.107 0.000 2.311 217 I HA 0.097 4.274 4.170 0.012 0.000 0.297 217 I C 0.957 177.103 176.117 0.048 0.000 1.131 217 I CA 0.484 61.846 61.300 0.104 0.000 1.289 217 I CB -0.344 37.664 38.000 0.014 0.000 1.446 217 I HN 0.591 nan 8.210 nan 0.000 0.524 218 H N 7.263 126.411 119.070 0.130 0.000 2.764 218 H HA 0.067 4.631 4.556 0.012 0.000 0.341 218 H C 0.310 175.740 175.328 0.169 0.000 1.072 218 H CA 0.181 56.313 56.048 0.141 0.000 1.444 218 H CB 0.955 30.805 29.762 0.148 0.000 1.458 218 H HN 0.504 nan 8.280 nan 0.000 0.572 219 E N 1.496 121.792 120.200 0.160 0.000 2.513 219 E HA -0.207 4.151 4.350 0.012 0.000 0.257 219 E C 1.179 177.754 176.600 -0.041 0.000 1.098 219 E CA 0.837 57.291 56.400 0.090 0.000 0.752 219 E CB -1.962 27.855 29.700 0.195 0.000 1.324 219 E HN 1.118 nan 8.360 nan 0.000 0.403 220 G N 0.359 109.087 108.800 -0.120 0.000 2.684 220 G HA2 -0.471 3.496 3.960 0.012 0.000 0.332 220 G HA3 -0.471 3.496 3.960 0.012 0.000 0.332 220 G C 0.774 175.467 174.900 -0.345 0.000 1.306 220 G CA 1.085 46.012 45.100 -0.287 0.000 1.002 220 G HN 0.270 nan 8.290 nan 0.000 0.545 221 Y N 1.447 121.572 120.300 -0.291 0.000 2.224 221 Y HA -0.016 4.541 4.550 0.012 0.000 0.289 221 Y C 2.902 178.606 175.900 -0.327 0.000 1.146 221 Y CA 2.057 59.879 58.100 -0.463 0.000 1.182 221 Y CB -0.536 37.547 38.460 -0.629 0.000 0.983 221 Y HN 0.745 nan 8.280 nan 0.000 0.524 222 E N -0.180 119.961 120.200 -0.098 0.000 2.058 222 E HA -0.183 4.174 4.350 0.012 0.000 0.194 222 E C 2.550 178.927 176.600 -0.372 0.000 0.997 222 E CA 1.400 57.697 56.400 -0.172 0.000 0.801 222 E CB -0.612 29.010 29.700 -0.131 0.000 0.746 222 E HN 0.451 nan 8.360 nan 0.000 0.450 223 G N 1.010 109.591 108.800 -0.364 0.000 2.408 223 G HA2 -0.229 3.738 3.960 0.012 0.000 0.217 223 G HA3 -0.229 3.738 3.960 0.012 0.000 0.217 223 G C 1.496 176.266 174.900 -0.218 0.000 1.150 223 G CA 0.740 45.584 45.100 -0.426 0.000 0.776 223 G HN 0.299 nan 8.290 nan 0.000 0.542 224 L N 0.655 121.781 121.223 -0.162 0.000 2.056 224 L HA 0.072 4.420 4.340 0.012 0.000 0.207 224 L C 2.890 179.725 176.870 -0.059 0.000 1.078 224 L CA 1.267 56.044 54.840 -0.104 0.000 0.749 224 L CB -0.334 41.624 42.059 -0.168 0.000 0.901 224 L HN 0.080 nan 8.230 nan 0.000 0.433 225 V N -0.411 119.461 119.914 -0.071 0.000 2.379 225 V HA -0.195 3.932 4.120 0.012 0.000 0.245 225 V C 2.650 178.716 176.094 -0.048 0.000 1.044 225 V CA 1.770 64.068 62.300 -0.004 0.000 1.036 225 V CB -0.607 31.242 31.823 0.044 0.000 0.664 225 V HN 0.403 nan 8.190 nan 0.000 0.453 226 R N -0.054 120.352 120.500 -0.156 0.000 2.090 226 R HA 0.180 4.527 4.340 0.012 0.000 0.228 226 R C 1.425 177.708 176.300 -0.029 0.000 1.110 226 R CA 0.758 56.773 56.100 -0.141 0.000 0.973 226 R CB -0.472 29.617 30.300 -0.350 0.000 0.869 226 R HN 0.602 nan 8.270 nan 0.000 0.440 227 G N -0.043 108.740 108.800 -0.028 0.000 2.692 227 G HA2 -0.037 3.931 3.960 0.012 0.000 0.248 227 G HA3 -0.037 3.931 3.960 0.012 0.000 0.248 227 G C 0.222 175.220 174.900 0.164 0.000 1.340 227 G CA -0.230 44.907 45.100 0.063 0.000 0.896 227 G HN 0.792 nan 8.290 nan 0.000 0.570 228 G N -3.561 105.304 108.800 0.109 0.000 2.756 228 G HA2 0.452 4.419 3.960 0.012 0.000 0.678 228 G HA3 0.452 4.419 3.960 0.012 0.000 0.678 228 G C 0.822 175.788 174.900 0.109 0.000 1.349 228 G CA 1.365 46.528 45.100 0.105 0.000 0.847 228 G HN 2.474 nan 8.290 nan 0.000 0.548 229 E N 0.003 120.248 120.200 0.075 0.000 2.204 229 E HA -0.063 4.295 4.350 0.012 0.000 0.194 229 E C 2.306 178.918 176.600 0.020 0.000 0.989 229 E CA 2.096 58.537 56.400 0.068 0.000 0.824 229 E CB -0.331 29.399 29.700 0.051 0.000 0.756 229 E HN 0.929 nan 8.360 nan 0.000 0.477 230 K N -1.556 118.832 120.400 -0.021 0.000 2.063 230 K HA -0.163 4.165 4.320 0.012 0.000 0.208 230 K C 1.485 177.872 176.600 -0.355 0.000 1.048 230 K CA 2.046 58.208 56.287 -0.208 0.000 0.928 230 K CB -0.210 32.147 32.500 -0.238 0.000 0.713 230 K HN 0.584 nan 8.250 nan 0.000 0.442 231 Y N -0.931 119.386 120.300 0.029 0.000 2.526 231 Y HA 0.282 4.839 4.550 0.012 0.000 0.265 231 Y C 0.275 176.258 175.900 0.138 0.000 1.092 231 Y CA -0.429 57.716 58.100 0.074 0.000 1.277 231 Y CB 0.838 39.338 38.460 0.067 0.000 1.228 231 Y HN -0.151 nan 8.280 nan 0.000 0.507 232 I N 2.918 123.639 120.570 0.251 0.000 2.377 232 I HA 0.213 4.391 4.170 0.012 0.000 0.282 232 I C -0.852 175.461 176.117 0.327 0.000 1.091 232 I CA -0.788 60.658 61.300 0.242 0.000 1.207 232 I CB 0.204 38.257 38.000 0.088 0.000 1.429 232 I HN -0.069 nan 8.210 nan 0.000 0.491 233 K N 4.243 124.854 120.400 0.353 0.000 2.159 233 K HA 0.422 4.750 4.320 0.012 0.000 0.266 233 K C -0.223 176.514 176.600 0.228 0.000 0.975 233 K CA -0.608 55.843 56.287 0.274 0.000 0.865 233 K CB 1.541 34.112 32.500 0.118 0.000 1.087 233 K HN 0.216 nan 8.250 nan 0.000 0.446 234 E N 2.197 122.397 120.200 0.000 0.000 2.324 234 E HA 0.071 4.428 4.350 0.012 0.000 0.271 234 E C -0.707 175.760 176.600 -0.222 0.000 1.028 234 E CA 0.056 56.183 56.400 -0.455 0.000 0.890 234 E CB 0.777 30.158 29.700 -0.533 0.000 1.004 234 E HN 0.704 nan 8.360 nan 0.000 0.431 235 T N 4.780 119.189 114.554 -0.242 0.000 2.824 235 T HA 0.268 4.626 4.350 0.012 0.000 0.280 235 T C -0.190 174.367 174.700 -0.238 0.000 0.995 235 T CA -0.924 61.063 62.100 -0.189 0.000 1.009 235 T CB 1.507 70.285 68.868 -0.151 0.000 0.955 235 T HN 0.305 nan 8.240 nan 0.000 0.452 236 Q N 0.847 120.474 119.800 -0.289 0.000 2.193 236 Q HA 0.194 4.541 4.340 0.012 0.000 0.246 236 Q C 0.874 176.644 176.000 -0.384 0.000 0.959 236 Q CA -0.824 54.767 55.803 -0.353 0.000 0.904 236 Q CB 1.214 29.599 28.738 -0.588 0.000 1.238 236 Q HN 0.810 nan 8.270 nan 0.000 0.469 237 W N 2.888 123.930 121.300 -0.432 0.000 2.338 237 W HA -0.193 4.475 4.660 0.013 0.000 0.304 237 W C 1.484 177.810 176.519 -0.322 0.000 1.212 237 W CA 2.412 59.575 57.345 -0.303 0.000 1.264 237 W CB 0.042 29.415 29.460 -0.145 0.000 1.142 237 W HN 0.841 nan 8.180 nan 0.000 0.512 238 H N -1.497 117.658 119.070 0.142 0.000 2.551 238 H HA 0.026 4.590 4.556 0.012 0.000 0.266 238 H C 0.878 176.160 175.328 -0.077 0.000 0.977 238 H CA 0.831 56.907 56.048 0.047 0.000 1.163 238 H CB -0.681 29.112 29.762 0.053 0.000 1.381 238 H HN 0.053 nan 8.280 nan 0.000 0.581 239 D N 1.612 121.792 120.400 -0.367 0.000 2.317 239 D HA -0.054 4.594 4.640 0.012 0.000 0.211 239 D C 1.796 177.795 176.300 -0.502 0.000 0.966 239 D CA 0.824 54.661 54.000 -0.271 0.000 0.876 239 D CB 0.371 41.002 40.800 -0.281 0.000 0.927 239 D HN 0.475 nan 8.370 nan 0.000 0.519 240 V N -1.883 117.543 119.914 -0.813 0.000 3.177 240 V HA 0.308 4.436 4.120 0.012 0.000 0.342 240 V C 0.589 176.108 176.094 -0.958 0.000 1.379 240 V CA -0.646 60.688 62.300 -1.609 0.000 1.191 240 V CB -0.478 30.477 31.823 -1.448 0.000 1.167 240 V HN -0.161 nan 8.190 nan 0.000 0.471 241 R N 1.678 121.939 120.500 -0.398 0.000 2.484 241 R HA 0.372 4.720 4.340 0.012 0.000 0.293 241 R C 1.437 177.800 176.300 0.104 0.000 1.023 241 R CA 0.984 57.029 56.100 -0.091 0.000 1.037 241 R CB 0.426 30.736 30.300 0.017 0.000 0.951 241 R HN 0.855 nan 8.270 nan 0.000 0.418 242 G N 3.384 112.234 108.800 0.083 0.000 2.258 242 G HA2 -0.229 3.739 3.960 0.012 0.000 0.274 242 G HA3 -0.229 3.739 3.960 0.012 0.000 0.274 242 G C 0.240 175.291 174.900 0.252 0.000 1.021 242 G CA 0.295 45.474 45.100 0.132 0.000 0.798 242 G HN 0.777 nan 8.290 nan 0.000 0.507 243 W N -0.195 121.075 121.300 -0.050 0.000 2.595 243 W HA 0.288 4.956 4.660 0.012 0.000 0.257 243 W C 2.426 178.920 176.519 -0.040 0.000 1.267 243 W CA 0.773 58.092 57.345 -0.044 0.000 1.300 243 W CB -0.549 28.875 29.460 -0.059 0.000 1.120 243 W HN 0.398 nan 8.180 nan 0.000 0.618 244 L N -0.754 120.563 121.223 0.157 0.000 2.013 244 L HA -0.283 4.064 4.340 0.012 0.000 0.212 244 L C 2.221 179.122 176.870 0.052 0.000 1.073 244 L CA 1.228 56.113 54.840 0.075 0.000 0.753 244 L CB -1.313 40.762 42.059 0.028 0.000 0.890 244 L HN -0.233 nan 8.230 nan 0.000 0.432 245 V N -1.091 118.848 119.914 0.041 0.000 2.453 245 V HA -0.169 3.959 4.120 0.012 0.000 0.247 245 V C 0.999 177.092 176.094 -0.002 0.000 1.048 245 V CA 0.716 63.025 62.300 0.015 0.000 1.049 245 V CB -0.457 31.369 31.823 0.005 0.000 0.672 245 V HN 0.338 nan 8.190 nan 0.000 0.457 246 E N 0.289 120.480 120.200 -0.016 0.000 2.529 246 E HA 0.280 4.638 4.350 0.012 0.000 0.259 246 E C 0.553 177.105 176.600 -0.080 0.000 0.966 246 E CA 0.567 56.916 56.400 -0.085 0.000 0.937 246 E CB 0.493 30.065 29.700 -0.213 0.000 0.923 246 E HN 0.470 nan 8.360 nan 0.000 0.468 247 G N 1.770 110.524 108.800 -0.077 0.000 2.462 247 G HA2 0.549 4.517 3.960 0.012 0.000 0.319 247 G HA3 0.549 4.517 3.960 0.012 0.000 0.319 247 G C 0.410 175.262 174.900 -0.079 0.000 1.171 247 G CA -0.134 44.931 45.100 -0.059 0.000 0.920 247 G HN 0.790 nan 8.290 nan 0.000 0.499 248 G N -0.380 108.387 108.800 -0.056 0.000 2.550 248 G HA2 -0.044 3.924 3.960 0.012 0.000 0.277 248 G HA3 -0.044 3.924 3.960 0.012 0.000 0.277 248 G C 0.037 174.885 174.900 -0.087 0.000 1.190 248 G CA 0.493 45.564 45.100 -0.049 0.000 0.971 248 G HN 1.488 nan 8.290 nan 0.000 0.559 249 T N 0.885 115.375 114.554 -0.107 0.000 2.906 249 T HA 0.509 4.866 4.350 0.012 0.000 0.302 249 T C 1.052 175.620 174.700 -0.220 0.000 1.002 249 T CA 0.086 62.095 62.100 -0.152 0.000 0.988 249 T CB 1.352 70.160 68.868 -0.100 0.000 0.972 249 T HN 0.593 nan 8.240 nan 0.000 0.447 250 N N 2.134 120.585 118.700 -0.415 0.000 2.223 250 N HA -0.021 4.726 4.740 0.012 0.000 0.185 250 N C 1.636 177.012 175.510 -0.223 0.000 1.016 250 N CA 0.684 53.449 53.050 -0.474 0.000 0.863 250 N CB 0.122 37.934 38.487 -1.125 0.000 0.983 250 N HN 0.547 nan 8.380 nan 0.000 0.429 251 I N 0.448 120.878 120.570 -0.234 0.000 2.202 251 I HA -0.068 4.109 4.170 0.012 0.000 0.242 251 I C 1.102 177.092 176.117 -0.212 0.000 1.091 251 I CA 0.667 61.722 61.300 -0.408 0.000 1.368 251 I CB -0.449 37.363 38.000 -0.315 0.000 1.058 251 I HN 0.205 nan 8.210 nan 0.000 0.410 252 G N 0.647 109.379 108.800 -0.115 0.000 2.663 252 G HA2 -0.090 3.877 3.960 0.012 0.000 0.686 252 G HA3 -0.090 3.877 3.960 0.012 0.000 0.686 252 G C -0.281 174.589 174.900 -0.051 0.000 1.246 252 G CA -0.364 44.711 45.100 -0.041 0.000 0.795 252 G HN 0.385 nan 8.290 nan 0.000 0.627 253 T N -1.703 112.831 114.554 -0.034 0.000 2.907 253 T HA 1.043 5.400 4.350 0.012 0.000 0.292 253 T C -0.065 174.626 174.700 -0.016 0.000 1.043 253 T CA 0.348 62.420 62.100 -0.046 0.000 1.003 253 T CB 2.170 71.010 68.868 -0.047 0.000 1.084 253 T HN 2.550 nan 8.240 nan 0.000 0.483 254 A N 2.429 125.237 122.820 -0.020 0.000 2.547 254 A HA 0.735 5.062 4.320 0.012 0.000 0.297 254 A C -0.490 177.104 177.584 0.016 0.000 1.056 254 A CA -1.349 50.690 52.037 0.003 0.000 0.688 254 A CB 1.262 20.268 19.000 0.009 0.000 1.282 254 A HN 1.121 nan 8.150 nan 0.000 0.400 255 R N 0.608 121.125 120.500 0.029 0.000 2.242 255 R HA 0.490 4.838 4.340 0.012 0.000 0.334 255 R C -0.385 175.942 176.300 0.045 0.000 1.071 255 R CA -0.163 55.965 56.100 0.048 0.000 0.922 255 R CB 0.481 30.805 30.300 0.040 0.000 1.023 255 R HN 0.501 nan 8.270 nan 0.000 0.458 256 C N 6.989 126.330 119.300 0.067 0.000 2.225 256 C HA 0.235 4.703 4.460 0.012 0.000 0.328 256 C C 1.633 176.662 174.990 0.065 0.000 1.187 256 C CA -0.801 58.252 59.018 0.058 0.000 1.665 256 C CB 0.156 27.936 27.740 0.067 0.000 2.253 256 C HN 1.073 nan 8.230 nan 0.000 0.497 257 K N 3.951 124.376 120.400 0.042 0.000 2.057 257 K HA -0.183 4.144 4.320 0.012 0.000 0.207 257 K C 1.458 178.075 176.600 0.029 0.000 1.049 257 K CA 1.764 58.069 56.287 0.030 0.000 0.931 257 K CB -0.393 32.119 32.500 0.019 0.000 0.714 257 K HN 0.855 nan 8.250 nan 0.000 0.440 258 E N -0.007 120.215 120.200 0.038 0.000 2.106 258 E HA -0.118 4.239 4.350 0.012 0.000 0.192 258 E C 1.779 178.401 176.600 0.037 0.000 0.984 258 E CA 0.672 57.090 56.400 0.031 0.000 0.806 258 E CB -0.167 29.553 29.700 0.033 0.000 0.750 258 E HN 0.365 nan 8.360 nan 0.000 0.458 259 F N 1.252 121.144 119.950 -0.097 0.000 2.451 259 F HA -0.073 4.462 4.527 0.012 0.000 0.299 259 F C 2.065 177.769 175.800 -0.160 0.000 1.101 259 F CA 0.892 58.793 58.000 -0.164 0.000 1.436 259 F CB 0.201 39.029 39.000 -0.288 0.000 1.074 259 F HN -0.108 nan 8.300 nan 0.000 0.553 260 R N 0.457 120.931 120.500 -0.043 0.000 2.189 260 R HA 0.007 4.354 4.340 0.012 0.000 0.218 260 R C 0.969 177.201 176.300 -0.114 0.000 1.074 260 R CA 0.895 56.950 56.100 -0.075 0.000 0.991 260 R CB -0.457 29.829 30.300 -0.022 0.000 0.883 260 R HN 0.351 nan 8.270 nan 0.000 0.457 261 E N 0.091 120.221 120.200 -0.116 0.000 2.232 261 E HA 0.459 4.816 4.350 0.012 0.000 0.264 261 E C 0.820 177.333 176.600 -0.146 0.000 0.973 261 E CA 0.039 56.377 56.400 -0.105 0.000 0.849 261 E CB 0.295 29.958 29.700 -0.062 0.000 1.198 261 E HN 0.304 nan 8.360 nan 0.000 0.407 262 R N 0.227 120.660 120.500 -0.113 0.000 2.189 262 R HA -0.051 4.296 4.340 0.012 0.000 0.223 262 R C 2.423 178.673 176.300 -0.084 0.000 1.092 262 R CA 2.074 58.110 56.100 -0.108 0.000 0.989 262 R CB -1.276 28.976 30.300 -0.080 0.000 0.876 262 R HN 0.551 nan 8.270 nan 0.000 0.457 263 S N -0.005 115.655 115.700 -0.066 0.000 2.353 263 S HA -0.101 4.377 4.470 0.012 0.000 0.222 263 S C 2.359 176.942 174.600 -0.027 0.000 1.035 263 S CA 1.260 59.435 58.200 -0.041 0.000 1.025 263 S CB -0.455 62.726 63.200 -0.031 0.000 0.902 263 S HN 0.780 nan 8.310 nan 0.000 0.440 264 G N 1.062 109.842 108.800 -0.033 0.000 2.396 264 G HA2 -0.075 3.893 3.960 0.012 0.000 0.214 264 G HA3 -0.075 3.893 3.960 0.012 0.000 0.214 264 G C 1.400 176.319 174.900 0.031 0.000 1.166 264 G CA 0.001 45.113 45.100 0.019 0.000 0.793 264 G HN 0.334 nan 8.290 nan 0.000 0.533 265 R N -0.670 119.732 120.500 -0.163 0.000 2.139 265 R HA -0.062 4.285 4.340 0.012 0.000 0.243 265 R C 2.409 178.794 176.300 0.141 0.000 1.145 265 R CA 1.121 57.102 56.100 -0.199 0.000 0.976 265 R CB -0.334 29.778 30.300 -0.313 0.000 0.866 265 R HN 0.365 nan 8.270 nan 0.000 0.449 266 L N 1.007 122.257 121.223 0.046 0.000 2.068 266 L HA -0.098 4.250 4.340 0.012 0.000 0.204 266 L C 2.246 179.153 176.870 0.063 0.000 1.076 266 L CA 1.693 56.551 54.840 0.030 0.000 0.753 266 L CB -0.274 41.768 42.059 -0.029 0.000 0.910 266 L HN -0.064 nan 8.230 nan 0.000 0.439 267 K N -0.730 119.707 120.400 0.062 0.000 2.063 267 K HA -0.199 4.129 4.320 0.012 0.000 0.208 267 K C 1.981 178.643 176.600 0.103 0.000 1.048 267 K CA 1.368 57.691 56.287 0.061 0.000 0.928 267 K CB -0.201 32.327 32.500 0.045 0.000 0.713 267 K HN 0.454 nan 8.250 nan 0.000 0.442 268 A N 0.732 123.656 122.820 0.173 0.000 1.902 268 A HA -0.216 4.111 4.320 0.012 0.000 0.217 268 A C 2.438 180.211 177.584 0.315 0.000 1.181 268 A CA 1.720 53.884 52.037 0.211 0.000 0.623 268 A CB -1.257 17.903 19.000 0.266 0.000 0.818 268 A HN 0.656 nan 8.150 nan 0.000 0.443 269 C N 0.023 119.581 119.300 0.431 0.000 2.413 269 C HA -0.133 4.334 4.460 0.012 0.000 0.276 269 C C 2.662 177.762 174.990 0.182 0.000 1.236 269 C CA 1.753 61.014 59.018 0.405 0.000 1.735 269 C CB -1.260 26.501 27.740 0.036 0.000 2.031 269 C HN 0.635 nan 8.230 nan 0.000 0.474 270 K N 0.718 121.168 120.400 0.083 0.000 2.009 270 K HA -0.126 4.201 4.320 0.012 0.000 0.210 270 K C 1.966 178.591 176.600 0.041 0.000 1.049 270 K CA 1.917 58.223 56.287 0.032 0.000 0.929 270 K CB -0.378 32.131 32.500 0.015 0.000 0.714 270 K HN 0.516 nan 8.250 nan 0.000 0.440 271 N N 0.711 119.448 118.700 0.061 0.000 2.205 271 N HA -0.155 4.593 4.740 0.012 0.000 0.186 271 N C 1.749 177.268 175.510 0.015 0.000 1.015 271 N CA 1.410 54.480 53.050 0.035 0.000 0.862 271 N CB -0.082 38.428 38.487 0.039 0.000 0.986 271 N HN 0.265 nan 8.380 nan 0.000 0.429 272 M N 0.124 119.777 119.600 0.087 0.000 2.156 272 M HA -0.035 4.453 4.480 0.012 0.000 0.264 272 M C 1.973 178.248 176.300 -0.042 0.000 1.067 272 M CA 1.163 56.509 55.300 0.078 0.000 1.131 272 M CB -0.184 32.579 32.600 0.272 0.000 1.368 272 M HN 0.028 nan 8.290 nan 0.000 0.416 273 I N -0.057 120.475 120.570 -0.063 0.000 2.394 273 I HA -0.261 3.916 4.170 0.012 0.000 0.251 273 I C 1.770 177.724 176.117 -0.271 0.000 1.136 273 I CA 0.903 61.999 61.300 -0.340 0.000 1.425 273 I CB -0.517 37.385 38.000 -0.163 0.000 1.079 273 I HN 0.254 nan 8.210 nan 0.000 0.425 274 D N 0.540 120.869 120.400 -0.119 0.000 2.123 274 D HA -0.134 4.513 4.640 0.012 0.000 0.200 274 D C 2.033 178.281 176.300 -0.087 0.000 0.976 274 D CA 1.298 55.255 54.000 -0.072 0.000 0.831 274 D CB -0.023 40.757 40.800 -0.034 0.000 0.974 274 D HN 0.210 nan 8.370 nan 0.000 0.469 275 M N -0.456 119.062 119.600 -0.137 0.000 2.562 275 M HA 0.120 4.608 4.480 0.012 0.000 0.257 275 M C 1.176 177.345 176.300 -0.219 0.000 1.099 275 M CA 0.433 55.588 55.300 -0.240 0.000 1.099 275 M CB -0.247 32.124 32.600 -0.382 0.000 1.427 275 M HN 0.142 nan 8.290 nan 0.000 0.489 276 G N 0.563 109.286 108.800 -0.129 0.000 2.155 276 G HA2 -0.263 3.704 3.960 0.012 0.000 0.257 276 G HA3 -0.263 3.704 3.960 0.012 0.000 0.257 276 G C 0.230 175.198 174.900 0.112 0.000 0.983 276 G CA 0.101 45.221 45.100 0.032 0.000 0.676 276 G HN 0.477 nan 8.290 nan 0.000 0.528 277 I N 1.470 122.028 120.570 -0.020 0.000 2.578 277 I HA 0.093 4.270 4.170 0.012 0.000 0.286 277 I C 0.894 177.098 176.117 0.145 0.000 1.126 277 I CA 0.007 61.333 61.300 0.044 0.000 1.380 277 I CB 0.562 38.543 38.000 -0.032 0.000 1.408 277 I HN 0.058 nan 8.210 nan 0.000 0.532 278 D N 5.918 126.414 120.400 0.160 0.000 2.354 278 D HA 0.194 4.841 4.640 0.012 0.000 0.209 278 D C 0.457 176.778 176.300 0.036 0.000 1.015 278 D CA 0.414 54.497 54.000 0.138 0.000 0.867 278 D CB 0.650 41.503 40.800 0.089 0.000 0.933 278 D HN 0.560 nan 8.370 nan 0.000 0.520 279 A N 0.569 123.409 122.820 0.034 0.000 2.547 279 A HA 0.548 4.876 4.320 0.012 0.000 0.297 279 A C -1.753 175.847 177.584 0.027 0.000 1.056 279 A CA -0.611 51.426 52.037 0.001 0.000 0.688 279 A CB 1.607 20.613 19.000 0.009 0.000 1.282 279 A HN 0.066 nan 8.150 nan 0.000 0.400 280 L N 2.287 123.521 121.223 0.020 0.000 2.346 280 L HA 0.761 5.109 4.340 0.012 0.000 0.276 280 L C -1.057 175.847 176.870 0.057 0.000 1.006 280 L CA -0.340 54.531 54.840 0.052 0.000 0.817 280 L CB 1.363 43.477 42.059 0.091 0.000 1.272 280 L HN 0.601 nan 8.230 nan 0.000 0.421 281 I N 5.659 126.267 120.570 0.063 0.000 2.411 281 I HA 0.368 4.546 4.170 0.012 0.000 0.284 281 I C -0.906 175.255 176.117 0.073 0.000 1.012 281 I CA -0.803 60.555 61.300 0.097 0.000 1.119 281 I CB 1.726 39.809 38.000 0.138 0.000 1.261 281 I HN 0.201 nan 8.210 nan 0.000 0.448 282 V N 5.346 125.283 119.914 0.037 0.000 2.427 282 V HA 0.257 4.384 4.120 0.012 0.000 0.286 282 V C -0.206 175.829 176.094 -0.098 0.000 1.034 282 V CA -0.539 61.730 62.300 -0.053 0.000 0.893 282 V CB 1.802 33.594 31.823 -0.052 0.000 0.982 282 V HN 0.857 nan 8.190 nan 0.000 0.452 283 C N 5.173 124.363 119.300 -0.183 0.000 2.335 283 C HA 0.915 5.382 4.460 0.012 0.000 0.318 283 C C 0.558 175.402 174.990 -0.243 0.000 1.150 283 C CA 0.444 59.244 59.018 -0.363 0.000 1.466 283 C CB -0.904 26.460 27.740 -0.627 0.000 2.024 283 C HN 1.160 nan 8.230 nan 0.000 0.429 284 G N 3.351 112.037 108.800 -0.190 0.000 2.561 284 G HA2 0.657 4.624 3.960 0.012 0.000 0.310 284 G HA3 0.657 4.624 3.960 0.012 0.000 0.310 284 G C -0.136 174.714 174.900 -0.084 0.000 1.292 284 G CA 0.154 45.181 45.100 -0.121 0.000 0.811 284 G HN 0.993 nan 8.290 nan 0.000 0.482 285 G N -0.995 107.780 108.800 -0.042 0.000 2.508 285 G HA2 0.418 4.385 3.960 0.012 0.000 0.278 285 G HA3 0.418 4.385 3.960 0.012 0.000 0.278 285 G C 0.531 175.422 174.900 -0.015 0.000 1.389 285 G CA 0.695 45.780 45.100 -0.025 0.000 1.050 285 G HN 0.431 nan 8.290 nan 0.000 0.522 286 D N 0.088 120.475 120.400 -0.022 0.000 2.137 286 D HA -0.146 4.502 4.640 0.012 0.000 0.193 286 D C 2.512 178.804 176.300 -0.014 0.000 0.993 286 D CA 1.824 55.800 54.000 -0.041 0.000 0.846 286 D CB -1.143 39.597 40.800 -0.100 0.000 0.990 286 D HN 0.455 nan 8.370 nan 0.000 0.448 287 G N 0.412 109.207 108.800 -0.009 0.000 2.442 287 G HA2 -0.249 3.718 3.960 0.012 0.000 0.219 287 G HA3 -0.249 3.718 3.960 0.012 0.000 0.219 287 G C 1.817 176.761 174.900 0.073 0.000 1.141 287 G CA 1.441 46.553 45.100 0.019 0.000 0.763 287 G HN 0.284 nan 8.290 nan 0.000 0.554 288 S N 0.620 116.377 115.700 0.095 0.000 2.374 288 S HA -0.079 4.399 4.470 0.012 0.000 0.227 288 S C 2.192 176.914 174.600 0.204 0.000 1.037 288 S CA 1.110 59.418 58.200 0.179 0.000 1.024 288 S CB -0.249 63.004 63.200 0.088 0.000 0.861 288 S HN 0.323 nan 8.310 nan 0.000 0.456 289 L N 1.154 122.441 121.223 0.106 0.000 2.307 289 L HA -0.014 4.334 4.340 0.012 0.000 0.211 289 L C 2.993 179.925 176.870 0.104 0.000 1.099 289 L CA 1.323 56.222 54.840 0.099 0.000 0.816 289 L CB -1.015 41.067 42.059 0.039 0.000 0.952 289 L HN 0.488 nan 8.230 nan 0.000 0.455 290 T N -2.623 111.974 114.554 0.073 0.000 2.777 290 T HA -0.112 4.245 4.350 0.012 0.000 0.266 290 T C 1.932 176.683 174.700 0.085 0.000 1.040 290 T CA 1.209 63.343 62.100 0.057 0.000 1.141 290 T CB -0.714 68.166 68.868 0.020 0.000 0.868 290 T HN 0.338 nan 8.240 nan 0.000 0.444 291 G N 0.859 109.720 108.800 0.101 0.000 2.432 291 G HA2 0.128 4.096 3.960 0.012 0.000 0.219 291 G HA3 0.128 4.096 3.960 0.012 0.000 0.219 291 G C 1.865 176.913 174.900 0.247 0.000 1.135 291 G CA 0.749 45.914 45.100 0.109 0.000 0.767 291 G HN 0.770 nan 8.290 nan 0.000 0.550 292 A N 0.708 123.710 122.820 0.302 0.000 1.929 292 A HA 0.044 4.371 4.320 0.012 0.000 0.216 292 A C 2.014 179.798 177.584 0.334 0.000 1.176 292 A CA 1.954 54.234 52.037 0.406 0.000 0.628 292 A CB -0.349 18.852 19.000 0.335 0.000 0.816 292 A HN 0.352 nan 8.150 nan 0.000 0.444 293 D N -0.669 119.853 120.400 0.204 0.000 2.117 293 D HA -0.115 4.532 4.640 0.012 0.000 0.198 293 D C 2.203 178.580 176.300 0.128 0.000 0.982 293 D CA 1.057 55.139 54.000 0.137 0.000 0.828 293 D CB -0.088 40.763 40.800 0.085 0.000 0.967 293 D HN 0.276 nan 8.370 nan 0.000 0.464 294 R N -0.729 119.846 120.500 0.124 0.000 2.096 294 R HA -0.113 4.234 4.340 0.012 0.000 0.235 294 R C 2.337 178.713 176.300 0.126 0.000 1.127 294 R CA 0.896 57.046 56.100 0.083 0.000 0.968 294 R CB -0.631 29.689 30.300 0.032 0.000 0.861 294 R HN 0.340 nan 8.270 nan 0.000 0.440 295 F N 1.814 121.793 119.950 0.049 0.000 2.216 295 F HA -0.184 4.351 4.527 0.012 0.000 0.300 295 F C 2.683 178.609 175.800 0.209 0.000 1.085 295 F CA 1.215 59.284 58.000 0.114 0.000 1.326 295 F CB -0.001 39.175 39.000 0.293 0.000 1.027 295 F HN -0.119 nan 8.300 nan 0.000 0.497 296 R N 0.487 121.059 120.500 0.120 0.000 2.066 296 R HA -0.150 4.198 4.340 0.012 0.000 0.232 296 R C 2.408 178.731 176.300 0.039 0.000 1.131 296 R CA 1.905 58.020 56.100 0.026 0.000 0.955 296 R CB -0.737 29.599 30.300 0.061 0.000 0.851 296 R HN 0.428 nan 8.270 nan 0.000 0.432 297 S N 0.194 115.922 115.700 0.046 0.000 2.383 297 S HA -0.079 4.398 4.470 0.012 0.000 0.227 297 S C 1.542 176.159 174.600 0.028 0.000 1.026 297 S CA 1.030 59.253 58.200 0.037 0.000 0.981 297 S CB -0.122 63.095 63.200 0.028 0.000 0.818 297 S HN 0.463 nan 8.310 nan 0.000 0.472 298 E N 0.004 120.210 120.200 0.010 0.000 2.502 298 E HA -0.001 4.356 4.350 0.012 0.000 0.194 298 E C 1.328 177.890 176.600 -0.063 0.000 1.062 298 E CA -0.116 56.269 56.400 -0.026 0.000 0.867 298 E CB -0.165 29.515 29.700 -0.032 0.000 0.888 298 E HN 0.706 nan 8.360 nan 0.000 0.510 299 W N 2.708 123.862 121.300 -0.243 0.000 2.305 299 W HA -0.120 4.547 4.660 0.013 0.000 0.308 299 W C -1.459 174.991 176.519 -0.116 0.000 1.226 299 W CA 0.726 57.903 57.345 -0.279 0.000 1.253 299 W CB -0.946 28.332 29.460 -0.304 0.000 1.146 299 W HN -0.042 nan 8.180 nan 0.000 0.507 300 P HA -0.038 nan 4.420 nan 0.000 0.252 300 P C -0.776 176.441 177.300 -0.140 0.000 1.635 300 P CA 0.772 63.831 63.100 -0.068 0.000 1.206 300 P CB -0.508 31.213 31.700 0.035 0.000 1.911 301 S N 2.165 117.703 115.700 -0.270 0.000 2.130 301 S HA 0.161 4.638 4.470 0.012 0.000 0.165 301 S C 1.023 175.464 174.600 -0.264 0.000 1.677 301 S CA -0.703 57.346 58.200 -0.253 0.000 1.227 301 S CB 0.092 63.120 63.200 -0.286 0.000 1.115 301 S HN 0.130 nan 8.310 nan 0.000 0.452 302 L N 0.220 121.308 121.223 -0.225 0.000 2.201 302 L HA 0.308 4.656 4.340 0.012 0.000 0.212 302 L C 0.778 177.426 176.870 -0.370 0.000 1.105 302 L CA 0.706 55.319 54.840 -0.378 0.000 0.775 302 L CB -1.897 39.840 42.059 -0.537 0.000 0.913 302 L HN 0.636 nan 8.230 nan 0.000 0.440 303 I N 2.295 122.716 120.570 -0.249 0.000 2.732 303 I HA -0.275 3.902 4.170 0.012 0.000 0.127 303 I C 0.864 176.871 176.117 -0.183 0.000 0.882 303 I CA 1.104 62.292 61.300 -0.186 0.000 2.785 303 I CB -0.772 37.144 38.000 -0.140 0.000 0.553 303 I HN 0.641 nan 8.210 nan 0.000 0.352 304 E N 5.539 125.636 120.200 -0.171 0.000 2.166 304 E HA 0.611 4.968 4.350 0.012 0.000 0.279 304 E C 0.217 176.759 176.600 -0.095 0.000 1.095 304 E CA 0.502 56.818 56.400 -0.141 0.000 0.888 304 E CB 0.918 30.539 29.700 -0.132 0.000 1.041 304 E HN 0.811 nan 8.360 nan 0.000 0.414 315 Q N 0.937 120.803 119.800 0.111 0.000 2.208 315 Q HA -0.453 3.894 4.340 0.012 0.000 0.219 315 Q C 2.013 178.086 176.000 0.122 0.000 1.027 315 Q CA 2.926 58.785 55.803 0.093 0.000 0.925 315 Q CB -1.316 27.467 28.738 0.075 0.000 1.006 315 Q HN 0.902 nan 8.270 nan 0.000 0.415 316 Q N -1.959 117.944 119.800 0.171 0.000 2.083 316 Q HA 0.058 4.405 4.340 0.012 0.000 0.198 316 Q C 2.041 178.216 176.000 0.292 0.000 0.969 316 Q CA 1.102 57.059 55.803 0.258 0.000 0.838 316 Q CB -0.035 28.829 28.738 0.210 0.000 0.900 316 Q HN 0.797 nan 8.270 nan 0.000 0.436 317 F N 2.254 122.264 119.950 0.100 0.000 2.293 317 F HA -0.143 4.391 4.527 0.012 0.000 0.300 317 F C 1.491 177.338 175.800 0.078 0.000 1.086 317 F CA 1.018 59.064 58.000 0.076 0.000 1.375 317 F CB -0.056 38.959 39.000 0.025 0.000 1.045 317 F HN 0.025 nan 8.300 nan 0.000 0.516 318 N N 0.153 118.799 118.700 -0.090 0.000 2.092 318 N HA -0.141 4.606 4.740 0.012 0.000 0.189 318 N C 2.081 177.502 175.510 -0.148 0.000 1.040 318 N CA 2.404 55.340 53.050 -0.190 0.000 0.845 318 N CB -1.284 37.167 38.487 -0.059 0.000 1.017 318 N HN 0.455 nan 8.380 nan 0.000 0.426 319 T N -0.000 114.503 114.554 -0.085 0.000 2.614 319 T HA -0.131 4.227 4.350 0.012 0.000 0.263 319 T C 1.147 175.718 174.700 -0.214 0.000 1.055 319 T CA 1.031 63.022 62.100 -0.182 0.000 1.162 319 T CB -0.851 67.863 68.868 -0.256 0.000 0.863 319 T HN 0.295 nan 8.240 nan 0.000 0.414 320 H N 1.662 120.773 119.070 0.069 0.000 2.989 320 H HA 0.287 4.851 4.556 0.012 0.000 0.284 320 H C 1.693 177.162 175.328 0.235 0.000 1.440 320 H CA -0.108 56.037 56.048 0.161 0.000 1.209 320 H CB -0.061 29.837 29.762 0.227 0.000 1.453 320 H HN 0.591 nan 8.280 nan 0.000 0.550 321 Q N 0.452 120.333 119.800 0.135 0.000 2.187 321 Q HA -0.034 4.313 4.340 0.012 0.000 0.199 321 Q C 0.015 176.193 176.000 0.296 0.000 0.957 321 Q CA 0.649 56.496 55.803 0.073 0.000 0.857 321 Q CB 0.549 29.176 28.738 -0.184 0.000 0.929 321 Q HN 0.385 nan 8.270 nan 0.000 0.453 322 N N 0.323 119.127 118.700 0.174 0.000 2.314 322 N HA 0.229 4.976 4.740 0.012 0.000 0.304 322 N C -1.485 173.825 175.510 -0.335 0.000 1.073 322 N CA -0.434 52.623 53.050 0.011 0.000 0.822 322 N CB 1.780 40.244 38.487 -0.038 0.000 1.280 322 N HN 0.033 nan 8.380 nan 0.000 0.489 323 L N 2.739 123.507 121.223 -0.759 0.000 2.268 323 L HA 0.378 4.726 4.340 0.012 0.000 0.289 323 L C -0.817 175.801 176.870 -0.420 0.000 1.064 323 L CA -0.430 53.824 54.840 -0.977 0.000 0.824 323 L CB -0.243 40.961 42.059 -1.426 0.000 1.202 323 L HN 0.299 nan 8.230 nan 0.000 0.433 324 N N 6.569 125.099 118.700 -0.283 0.000 2.406 324 N HA 0.405 5.152 4.740 0.012 0.000 0.251 324 N C -0.768 174.680 175.510 -0.103 0.000 1.069 324 N CA 0.101 53.068 53.050 -0.139 0.000 0.947 324 N CB 1.034 39.471 38.487 -0.082 0.000 1.111 324 N HN 0.620 nan 8.380 nan 0.000 0.497 325 I N 1.036 121.568 120.570 -0.063 0.000 2.545 325 I HA 0.487 4.664 4.170 0.012 0.000 0.292 325 I C -1.117 175.015 176.117 0.025 0.000 1.040 325 I CA -0.806 60.493 61.300 -0.001 0.000 1.068 325 I CB 1.337 39.359 38.000 0.036 0.000 1.251 325 I HN 0.454 nan 8.210 nan 0.000 0.424 326 C N 5.531 124.860 119.300 0.049 0.000 2.698 326 C HA 0.907 5.375 4.460 0.012 0.000 0.309 326 C C 0.080 175.113 174.990 0.071 0.000 1.186 326 C CA -0.144 58.910 59.018 0.059 0.000 1.474 326 C CB 0.781 28.561 27.740 0.066 0.000 2.020 326 C HN 0.930 nan 8.230 nan 0.000 0.474 327 G N 2.501 111.336 108.800 0.057 0.000 2.453 327 G HA2 0.869 4.836 3.960 0.012 0.000 0.323 327 G HA3 0.869 4.836 3.960 0.012 0.000 0.323 327 G C -1.153 173.751 174.900 0.006 0.000 1.198 327 G CA -0.061 45.056 45.100 0.028 0.000 0.959 327 G HN 1.580 nan 8.290 nan 0.000 0.482 328 A N 0.553 123.321 122.820 -0.085 0.000 2.427 328 A HA 0.628 4.956 4.320 0.012 0.000 0.298 328 A C -0.696 176.754 177.584 -0.224 0.000 1.036 328 A CA -0.509 51.425 52.037 -0.172 0.000 0.701 328 A CB 1.736 20.499 19.000 -0.395 0.000 1.250 328 A HN 1.192 nan 8.150 nan 0.000 0.412 329 V N 1.821 121.642 119.914 -0.156 0.000 2.405 329 V HA 0.489 4.617 4.120 0.012 0.000 0.264 329 V C 1.055 177.050 176.094 -0.165 0.000 1.048 329 V CA 0.436 62.654 62.300 -0.138 0.000 0.966 329 V CB 0.838 32.604 31.823 -0.095 0.000 1.015 329 V HN 1.112 nan 8.190 nan 0.000 0.477 330 G N 3.616 112.311 108.800 -0.175 0.000 3.444 330 G HA2 0.516 4.484 3.960 0.012 0.000 0.315 330 G HA3 0.516 4.484 3.960 0.012 0.000 0.315 330 G C 0.063 174.907 174.900 -0.093 0.000 1.079 330 G CA 0.090 45.098 45.100 -0.154 0.000 1.500 330 G HN 0.887 nan 8.290 nan 0.000 0.518 331 S N 0.884 116.538 115.700 -0.077 0.000 2.546 331 S HA 0.440 4.917 4.470 0.012 0.000 0.274 331 S C 0.905 175.472 174.600 -0.056 0.000 1.121 331 S CA -0.752 57.415 58.200 -0.056 0.000 0.887 331 S CB 1.490 64.660 63.200 -0.049 0.000 1.094 331 S HN 0.632 nan 8.310 nan 0.000 0.474 332 I N -1.009 119.541 120.570 -0.032 0.000 2.716 332 I HA 0.222 4.400 4.170 0.012 0.000 0.259 332 I C 1.730 177.841 176.117 -0.009 0.000 1.172 332 I CA 0.729 62.020 61.300 -0.015 0.000 1.478 332 I CB -0.318 37.679 38.000 -0.004 0.000 1.104 332 I HN 0.612 nan 8.210 nan 0.000 0.439 333 D N 2.061 122.453 120.400 -0.014 0.000 2.123 333 D HA -0.278 4.370 4.640 0.012 0.000 0.196 333 D C 1.110 177.384 176.300 -0.043 0.000 0.992 333 D CA 1.590 55.596 54.000 0.011 0.000 0.833 333 D CB -0.182 40.637 40.800 0.032 0.000 0.954 333 D HN 0.476 nan 8.370 nan 0.000 0.455 334 N N -0.080 118.499 118.700 -0.202 0.000 2.754 334 N HA -0.229 4.519 4.740 0.012 0.000 0.248 334 N C -0.024 175.330 175.510 -0.260 0.000 1.093 334 N CA 1.033 53.834 53.050 -0.416 0.000 0.699 334 N CB -1.460 36.368 38.487 -1.098 0.000 1.016 334 N HN 0.339 nan 8.380 nan 0.000 0.552 335 D N -0.943 119.378 120.400 -0.133 0.000 2.249 335 D HA 0.027 4.674 4.640 0.012 0.000 0.205 335 D C 0.747 176.979 176.300 -0.114 0.000 0.962 335 D CA 0.531 54.476 54.000 -0.092 0.000 0.860 335 D CB 0.132 40.926 40.800 -0.011 0.000 0.955 335 D HN 0.291 nan 8.370 nan 0.000 0.505 336 M N 1.044 120.575 119.600 -0.115 0.000 2.269 336 M HA -0.002 4.485 4.480 0.012 0.000 0.350 336 M C 1.524 177.765 176.300 -0.099 0.000 1.429 336 M CA 0.224 55.465 55.300 -0.097 0.000 1.063 336 M CB 1.177 33.727 32.600 -0.083 0.000 1.841 336 M HN 0.096 nan 8.290 nan 0.000 0.455 337 S N 1.319 116.972 115.700 -0.079 0.000 2.395 337 S HA -0.046 4.432 4.470 0.012 0.000 0.225 337 S C 1.451 176.025 174.600 -0.043 0.000 1.027 337 S CA 0.947 59.107 58.200 -0.067 0.000 0.965 337 S CB -0.077 63.087 63.200 -0.060 0.000 0.812 337 S HN 0.710 nan 8.310 nan 0.000 0.482 338 S N 0.907 116.588 115.700 -0.033 0.000 2.603 338 S HA 0.198 4.675 4.470 0.012 0.000 0.220 338 S C 0.597 175.191 174.600 -0.010 0.000 0.967 338 S CA 0.227 58.418 58.200 -0.015 0.000 0.920 338 S CB 0.024 63.220 63.200 -0.006 0.000 0.773 338 S HN 0.676 nan 8.310 nan 0.000 0.529 339 T N 0.627 115.166 114.554 -0.026 0.000 2.885 339 T HA 0.268 4.626 4.350 0.012 0.000 0.285 339 T C 0.106 174.784 174.700 -0.036 0.000 1.019 339 T CA -0.705 61.383 62.100 -0.021 0.000 1.010 339 T CB 1.238 70.091 68.868 -0.026 0.000 1.022 339 T HN -0.160 nan 8.240 nan 0.000 0.466 340 D N 1.916 122.313 120.400 -0.005 0.000 2.183 340 D HA 0.241 4.888 4.640 0.012 0.000 0.205 340 D C 0.455 176.718 176.300 -0.062 0.000 0.962 340 D CA 0.682 54.686 54.000 0.007 0.000 0.849 340 D CB 0.247 41.087 40.800 0.068 0.000 0.978 340 D HN 0.645 nan 8.370 nan 0.000 0.488 341 A N 0.326 123.125 122.820 -0.036 0.000 2.398 341 A HA 0.547 4.874 4.320 0.012 0.000 0.301 341 A C -0.017 177.536 177.584 -0.052 0.000 1.041 341 A CA -0.661 51.336 52.037 -0.068 0.000 0.711 341 A CB 1.248 20.404 19.000 0.260 0.000 1.240 341 A HN 0.027 nan 8.150 nan 0.000 0.420 342 T N -0.145 114.312 114.554 -0.160 0.000 2.918 342 T HA 0.653 5.011 4.350 0.012 0.000 0.283 342 T C 0.124 174.812 174.700 -0.019 0.000 1.001 342 T CA -0.503 61.535 62.100 -0.102 0.000 1.041 342 T CB 0.444 69.218 68.868 -0.156 0.000 1.028 342 T HN 0.418 nan 8.240 nan 0.000 0.511 343 I N 2.192 122.752 120.570 -0.017 0.000 2.505 343 I HA 0.420 4.597 4.170 0.012 0.000 0.287 343 I C 1.538 177.667 176.117 0.019 0.000 1.104 343 I CA 0.749 62.065 61.300 0.026 0.000 1.387 343 I CB 0.057 38.048 38.000 -0.014 0.000 1.404 343 I HN 1.130 nan 8.210 nan 0.000 0.528 344 G N 4.128 112.977 108.800 0.082 0.000 2.253 344 G HA2 -0.266 3.701 3.960 0.012 0.000 0.209 344 G HA3 -0.266 3.701 3.960 0.012 0.000 0.209 344 G C 1.070 176.017 174.900 0.077 0.000 0.997 344 G CA 0.294 45.435 45.100 0.067 0.000 0.640 344 G HN 0.738 nan 8.290 nan 0.000 0.496 345 A N 0.222 123.068 122.820 0.043 0.000 1.865 345 A HA 0.249 4.577 4.320 0.012 0.000 0.217 345 A C 2.016 179.672 177.584 0.121 0.000 1.191 345 A CA 2.289 54.312 52.037 -0.024 0.000 0.623 345 A CB -0.599 18.151 19.000 -0.417 0.000 0.826 345 A HN 0.734 nan 8.150 nan 0.000 0.444 346 F N 0.529 120.587 119.950 0.181 0.000 2.325 346 F HA -0.084 4.450 4.527 0.012 0.000 0.299 346 F C 2.765 178.624 175.800 0.099 0.000 1.090 346 F CA 1.427 59.521 58.000 0.156 0.000 1.392 346 F CB -0.125 38.889 39.000 0.022 0.000 1.053 346 F HN 0.138 nan 8.300 nan 0.000 0.521 347 S N -1.056 114.790 115.700 0.243 0.000 2.368 347 S HA -0.185 4.293 4.470 0.012 0.000 0.224 347 S C 2.271 176.916 174.600 0.075 0.000 1.029 347 S CA 1.282 59.566 58.200 0.140 0.000 0.988 347 S CB -0.510 62.755 63.200 0.109 0.000 0.838 347 S HN 0.325 nan 8.310 nan 0.000 0.462 348 S N 1.382 117.120 115.700 0.063 0.000 2.356 348 S HA -0.075 4.402 4.470 0.012 0.000 0.223 348 S C 1.887 176.488 174.600 0.002 0.000 1.032 348 S CA 1.110 59.323 58.200 0.022 0.000 1.005 348 S CB -0.509 62.707 63.200 0.027 0.000 0.867 348 S HN 0.373 nan 8.310 nan 0.000 0.449 349 L N 1.967 123.191 121.223 0.001 0.000 2.081 349 L HA -0.122 4.225 4.340 0.012 0.000 0.212 349 L C 1.887 178.713 176.870 -0.074 0.000 1.080 349 L CA 2.678 57.455 54.840 -0.104 0.000 0.754 349 L CB -1.035 40.877 42.059 -0.244 0.000 0.893 349 L HN 0.415 nan 8.230 nan 0.000 0.433 350 D N -1.414 118.984 120.400 -0.004 0.000 2.117 350 D HA -0.189 4.458 4.640 0.012 0.000 0.198 350 D C 2.110 178.399 176.300 -0.019 0.000 0.982 350 D CA 0.931 54.931 54.000 0.001 0.000 0.828 350 D CB 0.060 40.889 40.800 0.048 0.000 0.967 350 D HN 0.189 nan 8.370 nan 0.000 0.464 351 R N 0.305 120.797 120.500 -0.013 0.000 2.073 351 R HA -0.092 4.256 4.340 0.012 0.000 0.234 351 R C 2.545 178.832 176.300 -0.023 0.000 1.134 351 R CA 0.844 56.936 56.100 -0.013 0.000 0.952 351 R CB -1.020 29.269 30.300 -0.018 0.000 0.850 351 R HN 0.416 nan 8.270 nan 0.000 0.433 352 I N 0.351 120.895 120.570 -0.043 0.000 2.127 352 I HA -0.336 3.841 4.170 0.012 0.000 0.241 352 I C 2.503 178.581 176.117 -0.066 0.000 1.075 352 I CA 1.372 62.638 61.300 -0.057 0.000 1.334 352 I CB -0.512 37.436 38.000 -0.088 0.000 1.040 352 I HN 0.086 nan 8.210 nan 0.000 0.405 353 C N 0.209 119.457 119.300 -0.087 0.000 2.422 353 C HA -0.119 4.349 4.460 0.012 0.000 0.279 353 C C 2.932 177.862 174.990 -0.101 0.000 1.305 353 C CA 0.620 59.578 59.018 -0.100 0.000 1.757 353 C CB -1.177 26.494 27.740 -0.114 0.000 1.962 353 C HN 0.443 nan 8.230 nan 0.000 0.499 354 R N 1.701 122.150 120.500 -0.086 0.000 2.081 354 R HA -0.075 4.272 4.340 0.012 0.000 0.235 354 R C 2.130 178.390 176.300 -0.068 0.000 1.131 354 R CA 1.973 58.002 56.100 -0.118 0.000 0.960 354 R CB -0.554 29.715 30.300 -0.051 0.000 0.856 354 R HN 0.461 nan 8.270 nan 0.000 0.436 355 A N 0.365 123.198 122.820 0.023 0.000 1.873 355 A HA -0.058 4.270 4.320 0.012 0.000 0.215 355 A C 2.215 179.821 177.584 0.036 0.000 1.186 355 A CA 1.535 53.625 52.037 0.088 0.000 0.616 355 A CB -0.571 18.456 19.000 0.045 0.000 0.823 355 A HN 0.343 nan 8.150 nan 0.000 0.442 356 I N 0.196 120.752 120.570 -0.024 0.000 2.208 356 I HA -0.276 3.901 4.170 0.012 0.000 0.245 356 I C 1.853 177.933 176.117 -0.061 0.000 1.097 356 I CA 1.530 62.805 61.300 -0.042 0.000 1.363 356 I CB -0.632 37.337 38.000 -0.051 0.000 1.051 356 I HN 0.236 nan 8.210 nan 0.000 0.413 357 D N 0.421 120.757 120.400 -0.106 0.000 2.104 357 D HA -0.209 4.439 4.640 0.012 0.000 0.194 357 D C 2.134 178.359 176.300 -0.126 0.000 0.994 357 D CA 1.647 55.553 54.000 -0.156 0.000 0.830 357 D CB -0.440 40.211 40.800 -0.248 0.000 0.959 357 D HN 0.316 nan 8.370 nan 0.000 0.452 358 Y N 0.914 121.169 120.300 -0.075 0.000 2.181 358 Y HA -0.104 4.452 4.550 0.011 0.000 0.288 358 Y C 2.441 178.266 175.900 -0.126 0.000 1.146 358 Y CA 0.408 58.457 58.100 -0.085 0.000 1.164 358 Y CB -0.624 37.791 38.460 -0.075 0.000 0.982 358 Y HN 0.003 nan 8.280 nan 0.000 0.515 359 I N -0.240 120.329 120.570 -0.001 0.000 2.179 359 I HA -0.301 3.876 4.170 0.012 0.000 0.242 359 I C 1.824 177.830 176.117 -0.186 0.000 1.088 359 I CA 1.634 62.822 61.300 -0.188 0.000 1.357 359 I CB -0.438 37.415 38.000 -0.244 0.000 1.051 359 I HN 0.121 nan 8.210 nan 0.000 0.409 360 D N 1.552 121.895 120.400 -0.094 0.000 2.218 360 D HA -0.084 4.563 4.640 0.012 0.000 0.204 360 D C 1.534 177.809 176.300 -0.041 0.000 0.976 360 D CA 1.085 55.051 54.000 -0.058 0.000 0.853 360 D CB -0.195 40.578 40.800 -0.045 0.000 0.939 360 D HN 0.329 nan 8.370 nan 0.000 0.481 361 A N 1.048 123.850 122.820 -0.030 0.000 2.958 361 A HA 0.332 4.659 4.320 0.012 0.000 0.247 361 A C 0.507 178.089 177.584 -0.003 0.000 1.679 361 A CA 0.104 52.139 52.037 -0.004 0.000 1.345 361 A CB -0.905 18.115 19.000 0.033 0.000 1.013 361 A HN 0.240 nan 8.150 nan 0.000 0.641 362 T N -3.579 110.966 114.554 -0.014 0.000 2.648 362 T HA 0.716 5.074 4.350 0.012 0.000 0.304 362 T C 0.209 174.919 174.700 0.017 0.000 1.312 362 T CA -0.188 61.908 62.100 -0.006 0.000 1.023 362 T CB 0.737 69.584 68.868 -0.036 0.000 1.612 362 T HN 0.995 nan 8.240 nan 0.000 0.487 366 H N 1.640 120.735 119.070 0.042 0.000 2.671 366 H HA 0.382 4.945 4.556 0.011 0.000 0.372 366 H C 0.558 175.891 175.328 0.008 0.000 1.227 366 H CA 1.723 57.787 56.048 0.028 0.000 1.426 366 H CB 0.914 30.690 29.762 0.024 0.000 1.480 366 H HN 1.008 nan 8.280 nan 0.000 0.611 367 S N 1.767 117.602 115.700 0.226 0.000 3.641 367 S HA -0.159 4.318 4.470 0.012 0.000 0.346 367 S C -0.249 174.332 174.600 -0.032 0.000 1.074 367 S CA 0.452 58.731 58.200 0.132 0.000 1.026 367 S CB -0.848 62.443 63.200 0.151 0.000 0.908 367 S HN 0.499 nan 8.310 nan 0.000 0.479 368 R N 0.434 120.861 120.500 -0.122 0.000 2.534 368 R HA 0.836 5.183 4.340 0.012 0.000 0.301 368 R C -0.140 175.885 176.300 -0.459 0.000 0.961 368 R CA -0.216 55.703 56.100 -0.301 0.000 0.871 368 R CB 1.668 31.857 30.300 -0.186 0.000 1.170 368 R HN 0.340 nan 8.270 nan 0.000 0.446 369 A N 2.950 125.356 122.820 -0.690 0.000 2.435 369 A HA 0.873 5.200 4.320 0.012 0.000 0.304 369 A C -1.437 175.625 177.584 -0.870 0.000 1.064 369 A CA -0.590 51.117 52.037 -0.550 0.000 0.727 369 A CB 1.157 20.011 19.000 -0.244 0.000 1.284 369 A HN 0.471 nan 8.150 nan 0.000 0.415 370 F N 0.789 120.755 119.950 0.027 0.000 2.547 370 F HA 0.585 5.118 4.527 0.011 0.000 0.316 370 F C -0.192 175.625 175.800 0.029 0.000 1.121 370 F CA -0.498 57.517 58.000 0.026 0.000 0.911 370 F CB 1.944 40.958 39.000 0.023 0.000 1.179 370 F HN 0.349 nan 8.300 nan 0.000 0.443 371 I N 3.766 124.446 120.570 0.184 0.000 2.354 371 I HA 0.458 4.636 4.170 0.012 0.000 0.292 371 I C -0.859 175.315 176.117 0.094 0.000 0.989 371 I CA -0.981 60.386 61.300 0.112 0.000 1.188 371 I CB 1.589 39.633 38.000 0.073 0.000 1.342 371 I HN 0.217 nan 8.210 nan 0.000 0.457 372 V N 5.549 125.500 119.914 0.062 0.000 2.293 372 V HA 0.229 4.356 4.120 0.012 0.000 0.275 372 V C 0.200 176.297 176.094 0.004 0.000 1.021 372 V CA -0.693 61.625 62.300 0.030 0.000 0.815 372 V CB 1.012 32.843 31.823 0.013 0.000 1.025 372 V HN 0.726 nan 8.190 nan 0.000 0.448 373 E N 3.886 124.088 120.200 0.004 0.000 2.129 373 E HA 0.373 4.730 4.350 0.012 0.000 0.283 373 E C -1.015 175.572 176.600 -0.021 0.000 1.080 373 E CA -0.225 56.168 56.400 -0.012 0.000 0.867 373 E CB 1.231 30.929 29.700 -0.004 0.000 1.056 373 E HN 0.524 nan 8.360 nan 0.000 0.404 374 V N 5.993 125.886 119.914 -0.036 0.000 2.435 374 V HA 0.224 4.352 4.120 0.012 0.000 0.290 374 V C 0.269 176.339 176.094 -0.040 0.000 1.030 374 V CA -0.640 61.635 62.300 -0.043 0.000 0.881 374 V CB 1.576 33.362 31.823 -0.062 0.000 0.983 374 V HN 0.823 nan 8.190 nan 0.000 0.445 375 M N 3.861 123.442 119.600 -0.032 0.000 2.217 375 M HA 0.597 5.085 4.480 0.012 0.000 0.354 375 M C 0.339 176.621 176.300 -0.029 0.000 1.225 375 M CA 0.814 56.096 55.300 -0.030 0.000 1.137 375 M CB 0.868 33.456 32.600 -0.020 0.000 1.576 375 M HN 0.889 nan 8.290 nan 0.000 0.461 376 G N 4.906 113.680 108.800 -0.043 0.000 2.246 376 G HA2 -0.000 3.967 3.960 0.012 0.000 0.196 376 G HA3 -0.000 3.967 3.960 0.012 0.000 0.196 376 G C 0.018 174.867 174.900 -0.085 0.000 2.264 376 G CA -0.357 44.720 45.100 -0.038 0.000 1.089 376 G HN 0.941 nan 8.290 nan 0.000 0.599 377 R N 0.222 120.613 120.500 -0.183 0.000 2.075 377 R HA -0.024 4.323 4.340 0.012 0.000 0.232 377 R C 1.433 177.505 176.300 -0.380 0.000 1.126 377 R CA 1.563 57.457 56.100 -0.344 0.000 0.963 377 R CB -0.172 29.820 30.300 -0.512 0.000 0.858 377 R HN 0.533 nan 8.270 nan 0.000 0.435 378 H N -0.650 118.419 119.070 -0.001 0.000 2.506 378 H HA 0.191 4.755 4.556 0.013 0.000 0.289 378 H C 0.672 175.998 175.328 -0.003 0.000 1.009 378 H CA 0.051 56.096 56.048 -0.004 0.000 1.303 378 H CB -0.103 29.649 29.762 -0.017 0.000 1.453 378 H HN 0.143 nan 8.280 nan 0.000 0.526 379 C N 0.855 120.220 119.300 0.109 0.000 2.349 379 C HA 0.638 5.106 4.460 0.012 0.000 0.361 379 C C 1.782 176.841 174.990 0.115 0.000 1.189 379 C CA -0.042 59.025 59.018 0.082 0.000 2.155 379 C CB 0.759 28.541 27.740 0.070 0.000 2.336 379 C HN 0.614 nan 8.230 nan 0.000 0.540 380 G N 0.264 109.182 108.800 0.196 0.000 3.519 380 G HA2 0.048 4.016 3.960 0.012 0.000 0.269 380 G HA3 0.048 4.016 3.960 0.012 0.000 0.269 380 G C 0.786 175.855 174.900 0.282 0.000 1.028 380 G CA -0.016 45.207 45.100 0.205 0.000 0.809 380 G HN 0.943 nan 8.290 nan 0.000 0.521 381 W N 1.260 122.693 121.300 0.220 0.000 2.333 381 W HA -0.098 4.570 4.660 0.014 0.000 0.316 381 W C 1.992 178.463 176.519 -0.080 0.000 1.215 381 W CA 1.496 58.941 57.345 0.166 0.000 1.278 381 W CB -0.119 29.412 29.460 0.119 0.000 1.154 381 W HN 0.128 nan 8.180 nan 0.000 0.486 382 L N 0.273 121.539 121.223 0.071 0.000 2.012 382 L HA -0.147 4.201 4.340 0.012 0.000 0.210 382 L C 2.739 179.429 176.870 -0.300 0.000 1.073 382 L CA 1.631 56.365 54.840 -0.176 0.000 0.748 382 L CB -1.615 40.446 42.059 0.003 0.000 0.891 382 L HN 0.241 nan 8.230 nan 0.000 0.431 383 G N 0.139 108.817 108.800 -0.203 0.000 2.446 383 G HA2 -0.294 3.673 3.960 0.012 0.000 0.217 383 G HA3 -0.294 3.673 3.960 0.012 0.000 0.217 383 G C 1.568 176.228 174.900 -0.401 0.000 1.168 383 G CA 0.964 45.916 45.100 -0.246 0.000 0.771 383 G HN 0.235 nan 8.290 nan 0.000 0.551 384 L N -0.023 120.934 121.223 -0.443 0.000 1.994 384 L HA 0.083 4.431 4.340 0.012 0.000 0.208 384 L C 2.623 179.048 176.870 -0.743 0.000 1.071 384 L CA 1.559 56.020 54.840 -0.632 0.000 0.745 384 L CB -0.567 41.158 42.059 -0.556 0.000 0.892 384 L HN 0.149 nan 8.230 nan 0.000 0.431 385 L N -0.191 120.551 121.223 -0.803 0.000 2.056 385 L HA -0.073 4.275 4.340 0.012 0.000 0.207 385 L C 2.661 179.167 176.870 -0.607 0.000 1.078 385 L CA 1.740 56.074 54.840 -0.843 0.000 0.749 385 L CB -1.172 40.133 42.059 -1.258 0.000 0.901 385 L HN 0.354 nan 8.230 nan 0.000 0.433 386 A N -0.340 122.171 122.820 -0.515 0.000 1.877 386 A HA -0.138 4.190 4.320 0.012 0.000 0.216 386 A C 2.437 179.831 177.584 -0.316 0.000 1.186 386 A CA 1.761 53.588 52.037 -0.350 0.000 0.620 386 A CB -1.480 17.355 19.000 -0.276 0.000 0.822 386 A HN 0.430 nan 8.150 nan 0.000 0.443 387 G N -0.384 108.162 108.800 -0.423 0.000 2.440 387 G HA2 -0.179 3.788 3.960 0.012 0.000 0.218 387 G HA3 -0.179 3.788 3.960 0.012 0.000 0.218 387 G C 1.490 176.200 174.900 -0.317 0.000 1.154 387 G CA 1.335 46.162 45.100 -0.455 0.000 0.767 387 G HN 0.422 nan 8.290 nan 0.000 0.552 388 L N 1.241 122.208 121.223 -0.426 0.000 2.005 388 L HA 0.238 4.586 4.340 0.012 0.000 0.207 388 L C 3.156 179.979 176.870 -0.079 0.000 1.072 388 L CA 2.109 56.884 54.840 -0.109 0.000 0.744 388 L CB -0.921 40.999 42.059 -0.231 0.000 0.895 388 L HN 0.238 nan 8.230 nan 0.000 0.433 389 A N -1.596 121.112 122.820 -0.187 0.000 1.978 389 A HA -0.202 4.126 4.320 0.012 0.000 0.220 389 A C 2.044 179.553 177.584 -0.125 0.000 1.170 389 A CA 2.217 54.160 52.037 -0.157 0.000 0.636 389 A CB -1.099 17.784 19.000 -0.194 0.000 0.810 389 A HN 0.594 nan 8.150 nan 0.000 0.448 390 T N -4.648 109.839 114.554 -0.112 0.000 3.134 390 T HA 0.316 4.674 4.350 0.012 0.000 0.260 390 T C 0.382 175.059 174.700 -0.038 0.000 1.027 390 T CA 0.662 62.711 62.100 -0.086 0.000 0.913 390 T CB -0.378 68.440 68.868 -0.083 0.000 1.046 390 T HN 0.494 nan 8.240 nan 0.000 0.553 391 S N 1.170 116.878 115.700 0.013 0.000 3.447 391 S HA -0.096 4.382 4.470 0.012 0.000 0.371 391 S C 0.655 175.377 174.600 0.202 0.000 0.951 391 S CA 0.213 58.493 58.200 0.132 0.000 1.269 391 S CB -2.169 61.012 63.200 -0.031 0.000 0.919 391 S HN 1.216 nan 8.310 nan 0.000 0.516 392 A N 0.520 123.482 122.820 0.237 0.000 2.407 392 A HA 0.457 4.785 4.320 0.012 0.000 0.248 392 A C 1.007 178.759 177.584 0.281 0.000 1.082 392 A CA -0.151 52.010 52.037 0.207 0.000 0.785 392 A CB 0.260 19.334 19.000 0.122 0.000 1.020 392 A HN 0.444 nan 8.150 nan 0.000 0.489 393 D N -0.797 119.702 120.400 0.164 0.000 2.084 393 D HA 0.018 4.665 4.640 0.012 0.000 0.196 393 D C -0.093 176.245 176.300 0.063 0.000 0.985 393 D CA 2.182 56.162 54.000 -0.034 0.000 0.826 393 D CB -0.001 40.720 40.800 -0.131 0.000 0.978 393 D HN 0.564 nan 8.370 nan 0.000 0.456 394 Y N -0.306 120.011 120.300 0.028 0.000 2.433 394 Y HA 0.380 4.937 4.550 0.012 0.000 0.337 394 Y C -1.569 174.390 175.900 0.099 0.000 1.026 394 Y CA -1.366 56.777 58.100 0.071 0.000 1.037 394 Y CB 1.169 39.641 38.460 0.020 0.000 1.245 394 Y HN -0.144 nan 8.280 nan 0.000 0.443 395 I N 3.731 124.084 120.570 -0.362 0.000 2.474 395 I HA 0.598 4.775 4.170 0.012 0.000 0.294 395 I C -1.849 173.970 176.117 -0.498 0.000 1.005 395 I CA -0.972 60.139 61.300 -0.315 0.000 1.113 395 I CB 1.904 39.737 38.000 -0.278 0.000 1.289 395 I HN 0.505 nan 8.210 nan 0.000 0.436 396 L N 7.616 128.675 121.223 -0.274 0.000 2.335 396 L HA 0.532 4.879 4.340 0.012 0.000 0.268 396 L C -0.262 176.505 176.870 -0.171 0.000 1.037 396 L CA -0.159 54.547 54.840 -0.224 0.000 0.895 396 L CB 0.787 42.747 42.059 -0.165 0.000 1.266 396 L HN 0.646 nan 8.230 nan 0.000 0.439 397 I N -0.141 120.338 120.570 -0.150 0.000 2.603 397 I HA 0.588 4.766 4.170 0.012 0.000 0.300 397 I C -1.742 174.350 176.117 -0.041 0.000 1.017 397 I CA -2.012 59.243 61.300 -0.075 0.000 1.098 397 I CB 1.944 39.921 38.000 -0.039 0.000 1.279 397 I HN 0.125 nan 8.210 nan 0.000 0.437 398 P HA -0.136 nan 4.420 nan 0.000 0.218 398 P C 0.867 178.239 177.300 0.120 0.000 1.148 398 P CA 1.441 64.567 63.100 0.043 0.000 0.822 398 P CB 0.251 31.998 31.700 0.079 0.000 0.784 399 E N -0.171 120.130 120.200 0.168 0.000 2.208 399 E HA -0.043 4.315 4.350 0.012 0.000 0.193 399 E C 1.406 178.122 176.600 0.194 0.000 0.988 399 E CA 0.892 57.447 56.400 0.260 0.000 0.828 399 E CB -0.266 29.630 29.700 0.327 0.000 0.763 399 E HN 0.166 nan 8.360 nan 0.000 0.478 400 K N 1.288 121.726 120.400 0.064 0.000 2.961 400 K HA 0.177 4.504 4.320 0.012 0.000 0.187 400 K C -2.639 173.890 176.600 -0.118 0.000 1.110 400 K CA -1.805 54.480 56.287 -0.004 0.000 0.968 400 K CB 0.681 33.206 32.500 0.042 0.000 1.287 400 K HN 0.027 nan 8.250 nan 0.000 0.578 401 P HA 0.124 nan 4.420 nan 0.000 0.274 401 P C -0.515 176.703 177.300 -0.138 0.000 1.237 401 P CA -0.402 62.536 63.100 -0.270 0.000 0.793 401 P CB 0.848 32.237 31.700 -0.518 0.000 0.977 402 A N 1.243 124.074 122.820 0.018 0.000 2.511 402 A HA 0.242 4.570 4.320 0.012 0.000 0.242 402 A C 1.338 178.944 177.584 0.036 0.000 1.069 402 A CA 0.443 52.533 52.037 0.089 0.000 0.763 402 A CB -0.370 18.748 19.000 0.196 0.000 1.001 402 A HN 0.575 nan 8.150 nan 0.000 0.498 403 S N 0.121 115.847 115.700 0.045 0.000 3.148 403 S HA -0.025 4.452 4.470 0.012 0.000 0.246 403 S C 2.031 176.663 174.600 0.054 0.000 1.041 403 S CA 0.828 59.057 58.200 0.049 0.000 0.813 403 S CB -0.405 62.833 63.200 0.062 0.000 0.813 403 S HN 1.261 nan 8.310 nan 0.000 0.546 404 S N 2.219 117.948 115.700 0.048 0.000 2.515 404 S HA 0.145 4.622 4.470 0.012 0.000 0.231 404 S C 0.603 175.217 174.600 0.025 0.000 0.987 404 S CA -0.310 57.911 58.200 0.036 0.000 0.936 404 S CB -0.375 62.844 63.200 0.031 0.000 0.766 404 S HN 0.665 nan 8.310 nan 0.000 0.528 405 R N -0.380 120.136 120.500 0.027 0.000 2.716 405 R HA 0.451 4.799 4.340 0.012 0.000 0.271 405 R C -1.615 174.693 176.300 0.014 0.000 1.028 405 R CA -1.001 55.103 56.100 0.007 0.000 0.883 405 R CB 0.609 30.902 30.300 -0.011 0.000 1.250 405 R HN 0.061 nan 8.270 nan 0.000 0.465 406 E N 1.740 121.922 120.200 -0.029 0.000 2.481 406 E HA -0.095 4.262 4.350 0.012 0.000 0.263 406 E C 0.606 177.173 176.600 -0.054 0.000 0.992 406 E CA 0.294 56.657 56.400 -0.062 0.000 0.938 406 E CB 0.512 30.109 29.700 -0.172 0.000 0.933 406 E HN 0.657 nan 8.360 nan 0.000 0.453 407 W N 3.439 124.736 121.300 -0.005 0.000 2.364 407 W HA -0.255 4.412 4.660 0.011 0.000 0.281 407 W C 0.857 177.336 176.519 -0.067 0.000 1.219 407 W CA 0.707 58.062 57.345 0.016 0.000 1.220 407 W CB -0.398 29.097 29.460 0.059 0.000 1.127 407 W HN 0.528 nan 8.180 nan 0.000 0.556 408 Q N 1.308 120.560 119.800 -0.914 0.000 2.083 408 Q HA -0.134 4.213 4.340 0.012 0.000 0.198 408 Q C 1.717 177.450 176.000 -0.445 0.000 0.969 408 Q CA 2.330 57.582 55.803 -0.918 0.000 0.838 408 Q CB -0.648 27.465 28.738 -1.041 0.000 0.900 408 Q HN 0.161 nan 8.270 nan 0.000 0.436 409 D N 0.149 120.353 120.400 -0.325 0.000 2.097 409 D HA -0.189 4.458 4.640 0.012 0.000 0.195 409 D C 1.790 177.987 176.300 -0.171 0.000 0.989 409 D CA 1.152 55.028 54.000 -0.206 0.000 0.827 409 D CB -0.167 40.544 40.800 -0.149 0.000 0.966 409 D HN 0.268 nan 8.370 nan 0.000 0.456 410 Q N -0.151 119.571 119.800 -0.129 0.000 2.030 410 Q HA -0.209 4.139 4.340 0.012 0.000 0.204 410 Q C 2.150 177.990 176.000 -0.267 0.000 0.986 410 Q CA 1.411 57.166 55.803 -0.080 0.000 0.843 410 Q CB -0.161 28.633 28.738 0.093 0.000 0.904 410 Q HN 0.293 nan 8.270 nan 0.000 0.420 411 M N -0.291 118.976 119.600 -0.556 0.000 2.065 411 M HA -0.225 4.262 4.480 0.012 0.000 0.259 411 M C 2.186 178.208 176.300 -0.463 0.000 1.069 411 M CA 1.932 56.646 55.300 -0.976 0.000 1.110 411 M CB -0.306 31.823 32.600 -0.786 0.000 1.328 411 M HN 0.487 nan 8.290 nan 0.000 0.405 412 C N 0.786 119.902 119.300 -0.308 0.000 2.413 412 C HA -0.172 4.295 4.460 0.012 0.000 0.277 412 C C 2.233 177.127 174.990 -0.161 0.000 1.265 412 C CA 1.505 60.401 59.018 -0.203 0.000 1.752 412 C CB -1.483 26.148 27.740 -0.181 0.000 1.998 412 C HN 0.719 nan 8.230 nan 0.000 0.489 413 D N 0.601 120.905 120.400 -0.159 0.000 2.084 413 D HA -0.099 4.549 4.640 0.012 0.000 0.196 413 D C 1.871 178.106 176.300 -0.108 0.000 0.985 413 D CA 1.223 55.150 54.000 -0.121 0.000 0.826 413 D CB -0.126 40.612 40.800 -0.102 0.000 0.978 413 D HN 0.440 nan 8.370 nan 0.000 0.456 414 I N -0.112 120.395 120.570 -0.104 0.000 2.142 414 I HA -0.249 3.928 4.170 0.012 0.000 0.240 414 I C 2.472 178.530 176.117 -0.100 0.000 1.078 414 I CA 0.647 61.911 61.300 -0.060 0.000 1.343 414 I CB -0.347 37.652 38.000 -0.002 0.000 1.046 414 I HN 0.029 nan 8.210 nan 0.000 0.405 415 V N 1.161 120.981 119.914 -0.156 0.000 2.255 415 V HA -0.277 3.851 4.120 0.012 0.000 0.247 415 V C 2.608 178.689 176.094 -0.021 0.000 1.051 415 V CA 2.363 64.593 62.300 -0.116 0.000 1.018 415 V CB -1.565 30.192 31.823 -0.109 0.000 0.641 415 V HN 0.615 nan 8.190 nan 0.000 0.445 416 G N -0.418 108.354 108.800 -0.048 0.000 2.491 416 G HA2 -0.306 3.662 3.960 0.012 0.000 0.218 416 G HA3 -0.306 3.662 3.960 0.012 0.000 0.218 416 G C 1.642 176.529 174.900 -0.021 0.000 1.180 416 G CA 1.183 46.263 45.100 -0.033 0.000 0.774 416 G HN 0.480 nan 8.290 nan 0.000 0.562 417 K N -0.542 119.813 120.400 -0.076 0.000 2.074 417 K HA -0.160 4.167 4.320 0.012 0.000 0.209 417 K C 2.321 178.904 176.600 -0.028 0.000 1.048 417 K CA 1.568 57.717 56.287 -0.230 0.000 0.926 417 K CB -0.278 31.981 32.500 -0.402 0.000 0.713 417 K HN 0.387 nan 8.250 nan 0.000 0.444 418 H N 0.162 119.205 119.070 -0.045 0.000 2.321 418 H HA -0.015 4.548 4.556 0.012 0.000 0.300 418 H C 2.105 177.539 175.328 0.177 0.000 1.087 418 H CA 1.436 57.548 56.048 0.106 0.000 1.319 418 H CB 0.038 29.894 29.762 0.157 0.000 1.379 418 H HN 0.102 nan 8.280 nan 0.000 0.501 419 R N -0.028 120.599 120.500 0.212 0.000 2.075 419 R HA -0.030 4.317 4.340 0.012 0.000 0.232 419 R C 2.473 178.852 176.300 0.131 0.000 1.126 419 R CA 0.956 57.131 56.100 0.124 0.000 0.963 419 R CB -0.285 30.037 30.300 0.037 0.000 0.858 419 R HN 0.302 nan 8.270 nan 0.000 0.435 420 A N 1.094 123.985 122.820 0.118 0.000 1.902 420 A HA -0.167 4.160 4.320 0.012 0.000 0.217 420 A C 2.078 179.755 177.584 0.155 0.000 1.181 420 A CA 1.195 53.305 52.037 0.122 0.000 0.623 420 A CB -0.383 18.672 19.000 0.092 0.000 0.818 420 A HN 0.178 nan 8.150 nan 0.000 0.443 421 R N -1.779 118.832 120.500 0.184 0.000 2.307 421 R HA 0.099 4.447 4.340 0.012 0.000 0.199 421 R C 1.310 177.797 176.300 0.311 0.000 1.000 421 R CA 0.794 56.989 56.100 0.158 0.000 1.023 421 R CB -0.020 30.222 30.300 -0.097 0.000 0.908 421 R HN 0.685 nan 8.270 nan 0.000 0.473 422 G N 0.335 109.308 108.800 0.287 0.000 2.480 422 G HA2 -0.231 3.736 3.960 0.012 0.000 0.193 422 G HA3 -0.231 3.736 3.960 0.012 0.000 0.193 422 G C -0.158 174.846 174.900 0.174 0.000 1.004 422 G CA -0.350 44.882 45.100 0.221 0.000 0.696 422 G HN 0.232 nan 8.290 nan 0.000 0.478 423 K N 1.603 122.165 120.400 0.270 0.000 2.361 423 K HA 0.300 4.627 4.320 0.012 0.000 0.283 423 K C 1.560 178.222 176.600 0.103 0.000 1.078 423 K CA -0.209 56.183 56.287 0.175 0.000 1.041 423 K CB 0.271 32.969 32.500 0.330 0.000 0.932 423 K HN 0.080 nan 8.250 nan 0.000 0.462 424 R N 2.695 123.219 120.500 0.040 0.000 2.173 424 R HA 0.012 4.360 4.340 0.012 0.000 0.208 424 R C 0.158 176.468 176.300 0.018 0.000 1.035 424 R CA 0.739 56.827 56.100 -0.020 0.000 1.004 424 R CB 0.090 30.382 30.300 -0.015 0.000 0.917 424 R HN 0.430 nan 8.270 nan 0.000 0.462 425 K N 2.333 122.784 120.400 0.084 0.000 2.296 425 K HA 0.082 4.409 4.320 0.012 0.000 0.257 425 K C -0.755 175.945 176.600 0.166 0.000 1.088 425 K CA -0.067 56.319 56.287 0.164 0.000 0.980 425 K CB 0.625 33.231 32.500 0.177 0.000 1.430 425 K HN -0.022 nan 8.250 nan 0.000 0.441 426 T N 1.864 116.487 114.554 0.113 0.000 2.761 426 T HA 0.332 4.690 4.350 0.012 0.000 0.296 426 T C 0.277 175.063 174.700 0.144 0.000 0.934 426 T CA -0.793 61.365 62.100 0.098 0.000 1.091 426 T CB 0.513 69.397 68.868 0.028 0.000 0.896 426 T HN 0.170 nan 8.240 nan 0.000 0.515 427 I N 3.991 124.653 120.570 0.154 0.000 2.378 427 I HA 0.407 4.584 4.170 0.012 0.000 0.291 427 I C -0.304 175.890 176.117 0.128 0.000 0.992 427 I CA -1.261 60.136 61.300 0.161 0.000 1.154 427 I CB 1.404 39.486 38.000 0.138 0.000 1.315 427 I HN 0.489 nan 8.210 nan 0.000 0.448 428 V N 7.486 127.473 119.914 0.123 0.000 2.409 428 V HA 0.473 4.601 4.120 0.012 0.000 0.291 428 V C 0.109 176.250 176.094 0.078 0.000 1.020 428 V CA -0.533 61.844 62.300 0.129 0.000 0.848 428 V CB 2.343 34.258 31.823 0.153 0.000 0.990 428 V HN 0.452 nan 8.190 nan 0.000 0.430 429 I N 5.197 125.787 120.570 0.032 0.000 2.321 429 I HA 0.419 4.596 4.170 0.012 0.000 0.291 429 I C -0.478 175.610 176.117 -0.049 0.000 0.998 429 I CA -0.619 60.665 61.300 -0.028 0.000 1.227 429 I CB 1.802 39.749 38.000 -0.087 0.000 1.368 429 I HN 0.267 nan 8.210 nan 0.000 0.466 430 V N 6.531 126.418 119.914 -0.045 0.000 2.334 430 V HA 0.496 4.624 4.120 0.012 0.000 0.281 430 V C 0.622 176.670 176.094 -0.076 0.000 1.016 430 V CA -0.642 61.618 62.300 -0.067 0.000 0.832 430 V CB 1.239 33.029 31.823 -0.056 0.000 0.999 430 V HN 0.849 nan 8.190 nan 0.000 0.439 431 A N 3.286 126.052 122.820 -0.091 0.000 2.366 431 A HA 0.308 4.635 4.320 0.012 0.000 0.249 431 A C 1.226 178.765 177.584 -0.075 0.000 1.084 431 A CA -0.059 51.931 52.037 -0.078 0.000 0.794 431 A CB 0.261 19.218 19.000 -0.072 0.000 1.034 431 A HN 0.933 nan 8.150 nan 0.000 0.491 432 E N 1.189 121.349 120.200 -0.067 0.000 2.110 432 E HA -0.133 4.224 4.350 0.012 0.000 0.193 432 E C 1.580 178.132 176.600 -0.080 0.000 0.988 432 E CA 1.090 57.447 56.400 -0.072 0.000 0.804 432 E CB -0.137 29.516 29.700 -0.078 0.000 0.745 432 E HN 0.832 nan 8.360 nan 0.000 0.458 433 G N 0.209 108.963 108.800 -0.077 0.000 3.327 433 G HA2 0.259 4.227 3.960 0.012 0.000 0.240 433 G HA3 0.259 4.227 3.960 0.012 0.000 0.240 433 G C 0.141 175.004 174.900 -0.061 0.000 1.222 433 G CA 0.226 45.289 45.100 -0.062 0.000 0.871 433 G HN 0.279 nan 8.290 nan 0.000 0.525 434 A N 0.229 122.993 122.820 -0.093 0.000 2.545 434 A HA 0.522 4.849 4.320 0.012 0.000 0.253 434 A C -0.325 177.168 177.584 -0.150 0.000 1.074 434 A CA 0.393 52.347 52.037 -0.139 0.000 0.760 434 A CB 0.210 19.103 19.000 -0.178 0.000 1.005 434 A HN 0.368 nan 8.150 nan 0.000 0.506 435 I N 1.311 121.787 120.570 -0.157 0.000 3.095 435 I HA 0.477 4.655 4.170 0.012 0.000 0.310 435 I C 0.436 176.448 176.117 -0.175 0.000 1.196 435 I CA 0.042 61.263 61.300 -0.131 0.000 0.985 435 I CB 2.464 40.444 38.000 -0.034 0.000 1.250 435 I HN 0.772 nan 8.210 nan 0.000 0.446 436 S N 2.319 117.952 115.700 -0.112 0.000 2.745 436 S HA 0.456 4.933 4.470 0.012 0.000 0.292 436 S C 0.700 175.268 174.600 -0.054 0.000 1.133 436 S CA -0.316 57.849 58.200 -0.059 0.000 0.998 436 S CB 1.150 64.384 63.200 0.055 0.000 1.087 436 S HN 0.719 nan 8.310 nan 0.000 0.551 437 N N 1.655 120.335 118.700 -0.032 0.000 2.011 437 N HA -0.191 4.557 4.740 0.012 0.000 0.199 437 N C 0.785 176.411 175.510 0.193 0.000 1.047 437 N CA 1.858 54.927 53.050 0.031 0.000 0.863 437 N CB -0.377 38.163 38.487 0.088 0.000 1.056 437 N HN 0.853 nan 8.380 nan 0.000 0.427 438 D N 1.751 122.234 120.400 0.138 0.000 2.396 438 D HA -0.084 4.563 4.640 0.012 0.000 0.255 438 D C 0.408 176.779 176.300 0.117 0.000 1.224 438 D CA 0.259 54.335 54.000 0.127 0.000 0.894 438 D CB -0.563 40.294 40.800 0.096 0.000 0.939 438 D HN 0.402 nan 8.370 nan 0.000 0.506 439 L N -0.908 120.402 121.223 0.145 0.000 4.312 439 L HA -0.234 4.113 4.340 0.012 0.000 0.427 439 L C -0.146 176.765 176.870 0.067 0.000 1.149 439 L CA 0.449 55.362 54.840 0.123 0.000 0.978 439 L CB -2.468 39.668 42.059 0.129 0.000 1.963 439 L HN 0.019 nan 8.230 nan 0.000 0.970 440 S N 1.303 117.035 115.700 0.053 0.000 2.481 440 S HA 0.343 4.821 4.470 0.012 0.000 0.276 440 S C -1.706 172.891 174.600 -0.005 0.000 1.247 440 S CA -0.904 57.317 58.200 0.035 0.000 1.053 440 S CB 0.728 63.962 63.200 0.057 0.000 0.925 440 S HN 0.123 nan 8.310 nan 0.000 0.491 441 P HA 0.211 nan 4.420 nan 0.000 0.271 441 P C -0.793 176.452 177.300 -0.092 0.000 1.216 441 P CA -0.151 62.917 63.100 -0.053 0.000 0.771 441 P CB 0.334 32.014 31.700 -0.033 0.000 0.864 442 I N 2.357 122.816 120.570 -0.185 0.000 2.312 442 I HA 0.142 4.320 4.170 0.012 0.000 0.290 442 I C 1.361 177.355 176.117 -0.205 0.000 1.008 442 I CA -0.405 60.720 61.300 -0.290 0.000 1.226 442 I CB 1.133 38.718 38.000 -0.690 0.000 1.371 442 I HN 0.350 nan 8.210 nan 0.000 0.468 443 S N 4.004 119.634 115.700 -0.117 0.000 2.655 443 S HA 0.155 4.633 4.470 0.012 0.000 0.265 443 S C 1.059 175.623 174.600 -0.060 0.000 1.240 443 S CA -0.642 57.518 58.200 -0.066 0.000 0.986 443 S CB 1.429 64.617 63.200 -0.020 0.000 0.985 443 S HN 0.747 nan 8.310 nan 0.000 0.562 444 C N 0.780 120.063 119.300 -0.028 0.000 2.466 444 C HA 0.005 4.473 4.460 0.012 0.000 0.278 444 C C 2.210 177.215 174.990 0.025 0.000 1.288 444 C CA 1.201 60.216 59.018 -0.005 0.000 1.722 444 C CB -1.736 26.005 27.740 0.001 0.000 2.017 444 C HN 1.001 nan 8.230 nan 0.000 0.488 445 D N -0.046 120.371 120.400 0.029 0.000 2.144 445 D HA -0.160 4.488 4.640 0.012 0.000 0.199 445 D C 2.207 178.552 176.300 0.074 0.000 0.984 445 D CA 1.022 55.048 54.000 0.044 0.000 0.834 445 D CB -0.365 40.456 40.800 0.034 0.000 0.955 445 D HN 0.576 nan 8.370 nan 0.000 0.465 446 Q N 0.161 120.016 119.800 0.092 0.000 2.030 446 Q HA -0.143 4.205 4.340 0.012 0.000 0.204 446 Q C 2.282 178.464 176.000 0.302 0.000 0.986 446 Q CA 1.147 57.062 55.803 0.187 0.000 0.843 446 Q CB -0.145 28.700 28.738 0.179 0.000 0.904 446 Q HN 0.179 nan 8.270 nan 0.000 0.420 447 V N 1.060 121.116 119.914 0.237 0.000 2.343 447 V HA -0.294 3.833 4.120 0.012 0.000 0.247 447 V C 2.255 178.455 176.094 0.177 0.000 1.051 447 V CA 1.976 64.444 62.300 0.280 0.000 1.036 447 V CB -0.520 31.366 31.823 0.106 0.000 0.654 447 V HN 0.337 nan 8.190 nan 0.000 0.451 448 K N -0.048 120.414 120.400 0.104 0.000 2.032 448 K HA -0.236 4.091 4.320 0.012 0.000 0.209 448 K C 1.848 178.477 176.600 0.048 0.000 1.048 448 K CA 2.022 58.345 56.287 0.060 0.000 0.927 448 K CB -0.240 32.285 32.500 0.043 0.000 0.712 448 K HN 0.485 nan 8.250 nan 0.000 0.441 449 D N 0.177 120.613 120.400 0.061 0.000 2.178 449 D HA -0.131 4.517 4.640 0.012 0.000 0.201 449 D C 1.958 178.268 176.300 0.016 0.000 0.980 449 D CA 0.907 54.928 54.000 0.036 0.000 0.842 449 D CB -0.152 40.673 40.800 0.041 0.000 0.948 449 D HN 0.067 nan 8.370 nan 0.000 0.472 450 V N 1.132 121.065 119.914 0.031 0.000 2.358 450 V HA -0.199 3.928 4.120 0.012 0.000 0.246 450 V C 2.619 178.690 176.094 -0.037 0.000 1.047 450 V CA 1.126 63.405 62.300 -0.035 0.000 1.035 450 V CB -0.433 31.345 31.823 -0.075 0.000 0.658 450 V HN 0.169 nan 8.190 nan 0.000 0.452 451 L N -0.710 120.509 121.223 -0.007 0.000 2.093 451 L HA -0.097 4.251 4.340 0.012 0.000 0.208 451 L C 2.376 179.225 176.870 -0.034 0.000 1.085 451 L CA 0.896 55.721 54.840 -0.027 0.000 0.755 451 L CB -0.517 41.530 42.059 -0.020 0.000 0.904 451 L HN 0.178 nan 8.230 nan 0.000 0.435 452 V N 0.008 119.908 119.914 -0.023 0.000 2.488 452 V HA -0.169 3.959 4.120 0.012 0.000 0.246 452 V C 1.723 177.804 176.094 -0.022 0.000 1.046 452 V CA 1.957 64.243 62.300 -0.022 0.000 1.053 452 V CB -0.465 31.351 31.823 -0.013 0.000 0.679 452 V HN 0.506 nan 8.190 nan 0.000 0.458 453 N N -0.575 118.110 118.700 -0.025 0.000 2.428 453 N HA 0.018 4.766 4.740 0.012 0.000 0.181 453 N C 2.013 177.499 175.510 -0.041 0.000 1.028 453 N CA 0.213 53.245 53.050 -0.029 0.000 0.877 453 N CB -0.024 38.447 38.487 -0.026 0.000 1.064 453 N HN 0.176 nan 8.380 nan 0.000 0.434 454 R N 0.517 120.982 120.500 -0.057 0.000 2.115 454 R HA 0.133 4.481 4.340 0.012 0.000 0.226 454 R C -0.055 176.210 176.300 -0.059 0.000 1.100 454 R CA 0.698 56.755 56.100 -0.071 0.000 0.980 454 R CB 0.106 30.341 30.300 -0.108 0.000 0.875 454 R HN 0.142 nan 8.270 nan 0.000 0.445 455 L N -2.207 118.985 121.223 -0.050 0.000 2.303 455 L HA 0.420 4.767 4.340 0.012 0.000 0.266 455 L C 0.932 177.789 176.870 -0.022 0.000 1.011 455 L CA -0.734 54.085 54.840 -0.035 0.000 0.818 455 L CB 1.804 43.838 42.059 -0.041 0.000 1.326 455 L HN -0.045 nan 8.230 nan 0.000 0.435 456 G N 1.316 110.114 108.800 -0.003 0.000 3.379 456 G HA2 0.308 4.275 3.960 0.012 0.000 0.253 456 G HA3 0.308 4.275 3.960 0.012 0.000 0.253 456 G C 0.185 175.085 174.900 0.001 0.000 1.262 456 G CA -0.268 44.833 45.100 0.002 0.000 0.959 456 G HN 0.274 nan 8.290 nan 0.000 0.524 457 L N 0.532 121.742 121.223 -0.022 0.000 2.319 457 L HA 0.265 4.613 4.340 0.012 0.000 0.280 457 L C -0.127 176.699 176.870 -0.073 0.000 1.099 457 L CA -0.803 54.005 54.840 -0.054 0.000 0.828 457 L CB 1.061 43.066 42.059 -0.091 0.000 1.150 457 L HN -0.059 nan 8.230 nan 0.000 0.442 458 D N 2.465 122.815 120.400 -0.084 0.000 2.359 458 D HA 0.091 4.738 4.640 0.012 0.000 0.250 458 D C -0.457 175.746 176.300 -0.163 0.000 1.264 458 D CA -0.043 53.908 54.000 -0.082 0.000 0.911 458 D CB 0.594 41.367 40.800 -0.045 0.000 1.056 458 D HN 0.469 nan 8.370 nan 0.000 0.499 459 T N 3.679 118.161 114.554 -0.120 0.000 2.767 459 T HA 0.374 4.732 4.350 0.012 0.000 0.288 459 T C 0.159 174.834 174.700 -0.040 0.000 0.963 459 T CA -0.737 61.280 62.100 -0.137 0.000 1.019 459 T CB 1.123 69.943 68.868 -0.080 0.000 0.923 459 T HN 0.229 nan 8.240 nan 0.000 0.468 460 R N 2.586 123.095 120.500 0.016 0.000 2.337 460 R HA 0.630 4.978 4.340 0.012 0.000 0.319 460 R C -0.727 175.690 176.300 0.196 0.000 0.954 460 R CA -0.494 55.705 56.100 0.165 0.000 0.840 460 R CB 0.081 30.574 30.300 0.323 0.000 1.164 460 R HN 0.649 nan 8.270 nan 0.000 0.472 461 V N 2.958 122.940 119.914 0.113 0.000 2.583 461 V HA 0.501 4.628 4.120 0.012 0.000 0.287 461 V C -0.089 176.053 176.094 0.080 0.000 1.051 461 V CA 0.138 62.493 62.300 0.092 0.000 1.010 461 V CB 1.685 33.542 31.823 0.056 0.000 0.988 461 V HN 0.800 nan 8.190 nan 0.000 0.478 462 T N 3.776 118.373 114.554 0.071 0.000 2.809 462 T HA 0.610 4.968 4.350 0.012 0.000 0.284 462 T C 0.069 174.787 174.700 0.029 0.000 0.992 462 T CA 0.199 62.325 62.100 0.043 0.000 0.957 462 T CB 1.031 69.921 68.868 0.037 0.000 0.942 462 T HN 1.161 nan 8.240 nan 0.000 0.439 463 T N 2.407 116.973 114.554 0.020 0.000 2.809 463 T HA 0.498 4.855 4.350 0.012 0.000 0.284 463 T C 1.068 175.774 174.700 0.010 0.000 0.992 463 T CA -0.829 61.278 62.100 0.012 0.000 0.957 463 T CB 0.661 69.535 68.868 0.011 0.000 0.942 463 T HN 0.267 nan 8.240 nan 0.000 0.439 464 L N 4.297 125.522 121.223 0.004 0.000 2.044 464 L HA 0.315 4.662 4.340 0.012 0.000 0.205 464 L C 2.320 179.197 176.870 0.012 0.000 1.075 464 L CA 1.664 56.506 54.840 0.003 0.000 0.747 464 L CB -1.183 40.871 42.059 -0.009 0.000 0.903 464 L HN 1.193 nan 8.230 nan 0.000 0.435 465 G N -0.745 108.064 108.800 0.015 0.000 2.596 465 G HA2 -0.506 3.461 3.960 0.012 0.000 0.295 465 G HA3 -0.506 3.461 3.960 0.012 0.000 0.295 465 G C 0.703 175.637 174.900 0.057 0.000 1.240 465 G CA 0.898 46.022 45.100 0.039 0.000 0.985 465 G HN 0.434 nan 8.290 nan 0.000 0.555 466 H N 0.319 119.384 119.070 -0.008 0.000 2.518 466 H HA 0.095 4.659 4.556 0.013 0.000 0.292 466 H C 2.691 178.016 175.328 -0.005 0.000 1.068 466 H CA 1.966 58.009 56.048 -0.008 0.000 1.275 466 H CB -0.204 29.552 29.762 -0.010 0.000 1.375 466 H HN 0.361 nan 8.280 nan 0.000 0.563 467 V N 0.202 120.094 119.914 -0.036 0.000 2.380 467 V HA -0.312 3.816 4.120 0.012 0.000 0.251 467 V C 2.184 178.211 176.094 -0.111 0.000 1.063 467 V CA 2.209 64.472 62.300 -0.061 0.000 1.055 467 V CB -0.440 31.377 31.823 -0.011 0.000 0.657 467 V HN 0.563 nan 8.190 nan 0.000 0.455 468 Q N -1.087 118.651 119.800 -0.103 0.000 2.541 468 Q HA -0.085 4.262 4.340 0.012 0.000 0.215 468 Q C 2.097 178.018 176.000 -0.131 0.000 0.977 468 Q CA 0.832 56.582 55.803 -0.089 0.000 0.934 468 Q CB 0.086 28.792 28.738 -0.054 0.000 0.988 468 Q HN 0.617 nan 8.270 nan 0.000 0.521 469 R N -1.891 118.447 120.500 -0.270 0.000 2.435 469 R HA 0.176 4.523 4.340 0.012 0.000 0.221 469 R C 0.799 176.917 176.300 -0.303 0.000 0.885 469 R CA 0.231 56.152 56.100 -0.299 0.000 1.018 469 R CB 0.689 30.754 30.300 -0.391 0.000 1.259 469 R HN 0.005 nan 8.270 nan 0.000 0.597 470 G N 0.426 109.014 108.800 -0.353 0.000 2.580 470 G HA2 0.473 4.441 3.960 0.012 0.000 0.278 470 G HA3 0.473 4.441 3.960 0.012 0.000 0.278 470 G C 0.120 174.969 174.900 -0.084 0.000 1.212 470 G CA 0.337 45.328 45.100 -0.182 0.000 0.939 470 G HN 0.318 nan 8.290 nan 0.000 0.513 471 G N -1.563 107.212 108.800 -0.042 0.000 2.795 471 G HA2 0.260 4.228 3.960 0.012 0.000 0.664 471 G HA3 0.260 4.228 3.960 0.012 0.000 0.664 471 G C 0.263 175.156 174.900 -0.013 0.000 1.381 471 G CA 0.362 45.450 45.100 -0.019 0.000 0.853 471 G HN 1.962 nan 8.290 nan 0.000 0.545 472 T N -1.048 113.506 114.554 -0.001 0.000 2.898 472 T HA 0.711 5.069 4.350 0.012 0.000 0.301 472 T C 0.973 175.690 174.700 0.028 0.000 1.049 472 T CA 0.912 63.018 62.100 0.009 0.000 1.095 472 T CB 1.223 70.097 68.868 0.009 0.000 0.976 472 T HN 2.342 nan 8.240 nan 0.000 0.539 473 A N 3.249 126.094 122.820 0.041 0.000 2.477 473 A HA 0.496 4.824 4.320 0.012 0.000 0.246 473 A C 0.661 178.298 177.584 0.088 0.000 1.078 473 A CA -0.678 51.401 52.037 0.071 0.000 0.770 473 A CB -0.100 18.948 19.000 0.079 0.000 1.011 473 A HN 0.922 nan 8.150 nan 0.000 0.494 474 V N 2.537 122.525 119.914 0.122 0.000 2.999 474 V HA 0.128 4.255 4.120 0.012 0.000 0.307 474 V C 1.937 178.127 176.094 0.161 0.000 1.084 474 V CA 0.874 63.257 62.300 0.139 0.000 1.155 474 V CB 0.765 32.694 31.823 0.176 0.000 0.975 474 V HN 1.219 nan 8.190 nan 0.000 0.490 475 A N 3.964 126.873 122.820 0.148 0.000 1.915 475 A HA -0.291 4.037 4.320 0.012 0.000 0.220 475 A C 1.898 179.603 177.584 0.201 0.000 1.198 475 A CA 2.657 54.784 52.037 0.151 0.000 0.647 475 A CB -0.898 18.192 19.000 0.150 0.000 0.825 475 A HN 0.947 nan 8.150 nan 0.000 0.456 476 F N 0.822 120.831 119.950 0.099 0.000 2.134 476 F HA -0.196 4.339 4.527 0.013 0.000 0.299 476 F C 1.938 177.861 175.800 0.205 0.000 1.097 476 F CA 2.203 60.281 58.000 0.131 0.000 1.264 476 F CB -0.128 38.809 39.000 -0.105 0.000 1.001 476 F HN 0.242 nan 8.300 nan 0.000 0.479 477 D N 0.017 120.605 120.400 0.315 0.000 2.117 477 D HA -0.125 4.523 4.640 0.012 0.000 0.198 477 D C 2.415 178.782 176.300 0.111 0.000 0.982 477 D CA 1.040 55.167 54.000 0.213 0.000 0.828 477 D CB -0.277 40.661 40.800 0.230 0.000 0.967 477 D HN 0.356 nan 8.370 nan 0.000 0.464 478 R N 0.169 120.726 120.500 0.095 0.000 2.073 478 R HA -0.051 4.297 4.340 0.012 0.000 0.234 478 R C 2.564 178.864 176.300 -0.000 0.000 1.134 478 R CA 0.705 56.835 56.100 0.050 0.000 0.952 478 R CB -0.316 30.010 30.300 0.043 0.000 0.850 478 R HN 0.219 nan 8.270 nan 0.000 0.433 479 I N -0.517 120.040 120.570 -0.022 0.000 2.179 479 I HA -0.291 3.887 4.170 0.012 0.000 0.242 479 I C 1.910 177.864 176.117 -0.271 0.000 1.088 479 I CA 1.515 62.734 61.300 -0.135 0.000 1.357 479 I CB -0.254 37.685 38.000 -0.101 0.000 1.051 479 I HN 0.105 nan 8.210 nan 0.000 0.409 480 Y N 0.233 120.377 120.300 -0.260 0.000 2.220 480 Y HA -0.131 4.427 4.550 0.012 0.000 0.291 480 Y C 2.572 178.419 175.900 -0.089 0.000 1.129 480 Y CA 1.153 59.095 58.100 -0.264 0.000 1.161 480 Y CB -0.598 37.523 38.460 -0.565 0.000 0.997 480 Y HN 0.096 nan 8.280 nan 0.000 0.522 481 A N -0.508 122.370 122.820 0.097 0.000 1.902 481 A HA -0.201 4.127 4.320 0.012 0.000 0.217 481 A C 2.261 179.935 177.584 0.150 0.000 1.181 481 A CA 2.297 54.444 52.037 0.183 0.000 0.623 481 A CB -1.238 17.869 19.000 0.178 0.000 0.818 481 A HN 0.395 nan 8.150 nan 0.000 0.443 482 T N 0.488 115.049 114.554 0.011 0.000 2.674 482 T HA -0.115 4.242 4.350 0.012 0.000 0.265 482 T C 1.815 176.444 174.700 -0.118 0.000 1.039 482 T CA 1.661 63.710 62.100 -0.085 0.000 1.150 482 T CB -0.437 68.363 68.868 -0.113 0.000 0.864 482 T HN 0.387 nan 8.240 nan 0.000 0.427 483 L N 0.764 121.913 121.223 -0.123 0.000 2.083 483 L HA -0.135 4.213 4.340 0.012 0.000 0.209 483 L C 2.928 179.769 176.870 -0.047 0.000 1.083 483 L CA 1.319 56.086 54.840 -0.122 0.000 0.752 483 L CB -0.598 41.347 42.059 -0.190 0.000 0.899 483 L HN 0.304 nan 8.230 nan 0.000 0.433 484 Q N -0.179 119.647 119.800 0.044 0.000 2.084 484 Q HA -0.159 4.188 4.340 0.012 0.000 0.202 484 Q C 2.342 178.413 176.000 0.118 0.000 0.978 484 Q CA 1.500 57.399 55.803 0.160 0.000 0.844 484 Q CB -0.369 28.544 28.738 0.291 0.000 0.898 484 Q HN 0.643 nan 8.270 nan 0.000 0.426 485 G N 0.300 109.015 108.800 -0.143 0.000 2.446 485 G HA2 -0.235 3.733 3.960 0.012 0.000 0.217 485 G HA3 -0.235 3.733 3.960 0.012 0.000 0.217 485 G C 1.520 176.208 174.900 -0.355 0.000 1.168 485 G CA 0.928 45.615 45.100 -0.688 0.000 0.771 485 G HN 0.209 nan 8.290 nan 0.000 0.551 486 V N 0.793 120.573 119.914 -0.222 0.000 2.255 486 V HA -0.190 3.938 4.120 0.012 0.000 0.247 486 V C 2.695 178.738 176.094 -0.085 0.000 1.051 486 V CA 2.466 64.675 62.300 -0.152 0.000 1.018 486 V CB -0.432 31.309 31.823 -0.137 0.000 0.641 486 V HN 0.472 nan 8.190 nan 0.000 0.445 487 E N 0.463 120.636 120.200 -0.046 0.000 2.058 487 E HA -0.205 4.152 4.350 0.012 0.000 0.194 487 E C 2.140 178.747 176.600 0.011 0.000 0.997 487 E CA 1.710 58.109 56.400 -0.002 0.000 0.801 487 E CB -0.588 29.128 29.700 0.026 0.000 0.746 487 E HN 0.515 nan 8.360 nan 0.000 0.450 488 A N 0.011 122.846 122.820 0.025 0.000 1.917 488 A HA -0.212 4.116 4.320 0.012 0.000 0.219 488 A C 2.507 180.096 177.584 0.009 0.000 1.182 488 A CA 1.897 53.966 52.037 0.054 0.000 0.633 488 A CB -0.912 18.165 19.000 0.129 0.000 0.819 488 A HN 0.213 nan 8.150 nan 0.000 0.448 489 V N 1.070 120.961 119.914 -0.039 0.000 2.237 489 V HA -0.286 3.841 4.120 0.012 0.000 0.245 489 V C 2.352 178.443 176.094 -0.005 0.000 1.046 489 V CA 2.136 64.417 62.300 -0.032 0.000 1.007 489 V CB -0.989 30.800 31.823 -0.057 0.000 0.638 489 V HN 0.604 nan 8.190 nan 0.000 0.445 490 N N 0.848 119.547 118.700 -0.001 0.000 2.061 490 N HA -0.203 4.545 4.740 0.012 0.000 0.193 490 N C 1.950 177.467 175.510 0.010 0.000 1.030 490 N CA 1.889 54.945 53.050 0.010 0.000 0.856 490 N CB -0.625 37.869 38.487 0.013 0.000 1.023 490 N HN 0.499 nan 8.380 nan 0.000 0.424 491 A N 1.315 124.143 122.820 0.014 0.000 1.873 491 A HA -0.130 4.198 4.320 0.012 0.000 0.218 491 A C 2.625 180.215 177.584 0.011 0.000 1.193 491 A CA 1.653 53.700 52.037 0.016 0.000 0.629 491 A CB -1.060 17.956 19.000 0.027 0.000 0.826 491 A HN 0.138 nan 8.150 nan 0.000 0.447 492 V N -0.233 119.688 119.914 0.011 0.000 2.392 492 V HA -0.243 3.884 4.120 0.012 0.000 0.249 492 V C 2.537 178.630 176.094 -0.001 0.000 1.059 492 V CA 2.122 64.425 62.300 0.005 0.000 1.051 492 V CB -0.484 31.346 31.823 0.012 0.000 0.658 492 V HN 0.573 nan 8.190 nan 0.000 0.455 493 L N -0.940 120.284 121.223 0.002 0.000 2.095 493 L HA -0.078 4.270 4.340 0.012 0.000 0.204 493 L C 2.368 179.235 176.870 -0.004 0.000 1.080 493 L CA 1.338 56.178 54.840 -0.001 0.000 0.759 493 L CB -0.504 41.557 42.059 0.003 0.000 0.914 493 L HN 0.295 nan 8.230 nan 0.000 0.439 494 E N -0.410 119.790 120.200 -0.000 0.000 2.347 494 E HA -0.128 4.229 4.350 0.012 0.000 0.196 494 E C 1.001 177.599 176.600 -0.004 0.000 1.008 494 E CA 0.157 56.557 56.400 -0.001 0.000 0.852 494 E CB -0.044 29.658 29.700 0.004 0.000 0.783 494 E HN 0.506 nan 8.360 nan 0.000 0.505 495 C N 1.972 121.268 119.300 -0.007 0.000 2.657 495 C HA 0.144 4.612 4.460 0.012 0.000 0.420 495 C C 0.115 175.095 174.990 -0.018 0.000 1.323 495 C CA -0.460 58.550 59.018 -0.013 0.000 1.894 495 C CB -0.240 27.489 27.740 -0.018 0.000 2.681 495 C HN 0.308 nan 8.230 nan 0.000 0.613 496 D N 2.523 122.913 120.400 -0.018 0.000 2.732 496 D HA 0.547 5.194 4.640 0.012 0.000 0.229 496 D C 0.614 176.902 176.300 -0.020 0.000 1.152 496 D CA -0.070 53.918 54.000 -0.019 0.000 0.854 496 D CB 1.897 42.690 40.800 -0.013 0.000 1.590 496 D HN 0.783 nan 8.370 nan 0.000 0.468 497 A N 2.502 125.309 122.820 -0.022 0.000 2.042 497 A HA -0.211 4.117 4.320 0.012 0.000 0.222 497 A C 1.368 178.947 177.584 -0.010 0.000 1.167 497 A CA 1.982 54.008 52.037 -0.018 0.000 0.649 497 A CB -0.601 18.390 19.000 -0.015 0.000 0.809 497 A HN 0.702 nan 8.150 nan 0.000 0.457 498 D N -0.990 119.406 120.400 -0.007 0.000 2.349 498 D HA 0.067 4.714 4.640 0.012 0.000 0.215 498 D C 0.927 177.226 176.300 -0.002 0.000 1.016 498 D CA 1.121 55.120 54.000 -0.003 0.000 0.870 498 D CB -0.035 40.764 40.800 -0.002 0.000 0.917 498 D HN 0.547 nan 8.370 nan 0.000 0.524 499 T N 0.083 114.634 114.554 -0.004 0.000 2.743 499 T HA 0.438 4.795 4.350 0.012 0.000 0.293 499 T C -2.481 172.218 174.700 -0.002 0.000 0.945 499 T CA -1.828 60.271 62.100 -0.002 0.000 1.030 499 T CB 1.634 70.501 68.868 -0.003 0.000 0.912 499 T HN -0.190 nan 8.240 nan 0.000 0.483 500 P HA 0.196 nan 4.420 nan 0.000 0.271 500 P C -0.201 177.102 177.300 0.006 0.000 1.216 500 P CA -0.379 62.724 63.100 0.005 0.000 0.771 500 P CB 0.517 32.222 31.700 0.008 0.000 0.864 501 S N 5.126 120.828 115.700 0.005 0.000 2.673 501 S HA 0.074 4.551 4.470 0.012 0.000 0.308 501 S C -1.650 172.961 174.600 0.018 0.000 1.246 501 S CA -0.256 57.949 58.200 0.008 0.000 1.077 501 S CB -0.733 62.474 63.200 0.012 0.000 0.814 501 S HN 0.474 nan 8.310 nan 0.000 0.503 502 P HA 0.413 nan 4.420 nan 0.000 0.283 502 P C -0.818 176.501 177.300 0.032 0.000 1.271 502 P CA -0.904 62.211 63.100 0.025 0.000 0.841 502 P CB 0.885 32.601 31.700 0.026 0.000 1.122 503 M N 1.620 121.237 119.600 0.030 0.000 2.326 503 M HA 0.373 4.861 4.480 0.012 0.000 0.306 503 M C -0.990 175.331 176.300 0.035 0.000 1.054 503 M CA -1.150 54.167 55.300 0.028 0.000 0.922 503 M CB 1.239 33.849 32.600 0.016 0.000 1.632 503 M HN 0.089 nan 8.290 nan 0.000 0.436 504 I N 3.785 124.383 120.570 0.047 0.000 2.441 504 I HA 0.507 4.684 4.170 0.012 0.000 0.287 504 I C 0.250 176.396 176.117 0.047 0.000 1.049 504 I CA -0.176 61.161 61.300 0.062 0.000 1.381 504 I CB 0.140 38.202 38.000 0.104 0.000 1.409 504 I HN 0.760 nan 8.210 nan 0.000 0.523 505 A N 7.360 130.211 122.820 0.051 0.000 2.469 505 A HA 0.880 5.207 4.320 0.012 0.000 0.299 505 A C -0.686 176.939 177.584 0.070 0.000 1.098 505 A CA -0.621 51.442 52.037 0.044 0.000 0.737 505 A CB 1.510 20.528 19.000 0.029 0.000 1.312 505 A HN 0.579 nan 8.150 nan 0.000 0.414 506 I N 0.579 121.189 120.570 0.067 0.000 2.377 506 I HA 0.476 4.654 4.170 0.012 0.000 0.293 506 I C -0.306 175.851 176.117 0.066 0.000 0.987 506 I CA -0.538 60.813 61.300 0.086 0.000 1.185 506 I CB 1.899 39.933 38.000 0.056 0.000 1.341 506 I HN 0.480 nan 8.210 nan 0.000 0.455 507 K N 4.719 125.163 120.400 0.074 0.000 2.621 507 K HA 0.322 4.650 4.320 0.012 0.000 0.233 507 K C -0.826 175.813 176.600 0.065 0.000 0.972 507 K CA -0.454 55.870 56.287 0.061 0.000 0.988 507 K CB 0.570 33.100 32.500 0.049 0.000 1.187 507 K HN 0.484 nan 8.250 nan 0.000 0.471 508 E N 3.179 123.421 120.200 0.069 0.000 2.302 508 E HA -0.260 4.098 4.350 0.012 0.000 0.186 508 E C -0.944 175.705 176.600 0.082 0.000 1.444 508 E CA 0.880 57.322 56.400 0.070 0.000 0.671 508 E CB -0.851 28.885 29.700 0.059 0.000 1.122 508 E HN 0.813 nan 8.360 nan 0.000 0.366 509 D N -0.467 119.995 120.400 0.103 0.000 2.983 509 D HA -0.236 4.411 4.640 0.012 0.000 0.225 509 D C -0.181 176.288 176.300 0.280 0.000 1.174 509 D CA 1.390 55.508 54.000 0.198 0.000 0.831 509 D CB -0.352 40.581 40.800 0.222 0.000 1.104 509 D HN 0.510 nan 8.370 nan 0.000 0.421 510 Q N 0.061 119.982 119.800 0.202 0.000 2.304 510 Q HA 0.444 4.791 4.340 0.012 0.000 0.270 510 Q C -0.590 175.506 176.000 0.159 0.000 1.035 510 Q CA -0.770 55.134 55.803 0.168 0.000 0.781 510 Q CB 1.576 30.359 28.738 0.075 0.000 1.261 510 Q HN 0.112 nan 8.270 nan 0.000 0.444 511 I N 3.471 124.136 120.570 0.159 0.000 2.517 511 I HA 0.073 4.250 4.170 0.012 0.000 0.285 511 I C 0.578 176.743 176.117 0.080 0.000 1.106 511 I CA 0.857 62.231 61.300 0.124 0.000 1.402 511 I CB 0.921 38.984 38.000 0.104 0.000 1.399 511 I HN 0.573 nan 8.210 nan 0.000 0.535 512 T N 3.242 117.839 114.554 0.071 0.000 2.887 512 T HA 0.705 5.062 4.350 0.012 0.000 0.292 512 T C -0.300 174.428 174.700 0.047 0.000 1.087 512 T CA -1.191 60.940 62.100 0.052 0.000 1.009 512 T CB 1.488 70.383 68.868 0.046 0.000 1.203 512 T HN 0.351 nan 8.240 nan 0.000 0.518 513 R N 0.034 120.556 120.500 0.038 0.000 2.387 513 R HA 0.761 5.109 4.340 0.012 0.000 0.314 513 R C -1.274 175.042 176.300 0.028 0.000 0.958 513 R CA -0.651 55.469 56.100 0.034 0.000 0.846 513 R CB 1.856 32.174 30.300 0.030 0.000 1.147 513 R HN 0.568 nan 8.270 nan 0.000 0.447 514 V N 5.125 125.055 119.914 0.026 0.000 2.735 514 V HA 0.585 4.712 4.120 0.012 0.000 0.310 514 V C -2.347 173.757 176.094 0.018 0.000 1.061 514 V CA -2.793 59.519 62.300 0.020 0.000 0.913 514 V CB 2.434 34.267 31.823 0.018 0.000 1.005 514 V HN 0.673 nan 8.190 nan 0.000 0.428 515 P HA 0.034 nan 4.420 nan 0.000 0.263 515 P C 0.636 177.945 177.300 0.014 0.000 1.195 515 P CA 0.159 63.268 63.100 0.015 0.000 0.762 515 P CB 1.037 32.745 31.700 0.013 0.000 0.799 516 L N 6.034 127.268 121.223 0.019 0.000 2.042 516 L HA -0.209 4.138 4.340 0.012 0.000 0.210 516 L C 2.266 179.147 176.870 0.018 0.000 1.076 516 L CA 1.857 56.710 54.840 0.021 0.000 0.749 516 L CB -0.997 41.081 42.059 0.032 0.000 0.893 516 L HN 0.248 nan 8.230 nan 0.000 0.432 517 V N -2.329 117.597 119.914 0.019 0.000 2.282 517 V HA -0.304 3.824 4.120 0.012 0.000 0.249 517 V C 2.140 178.239 176.094 0.007 0.000 1.057 517 V CA 2.086 64.395 62.300 0.015 0.000 1.032 517 V CB -1.434 30.398 31.823 0.015 0.000 0.645 517 V HN 0.392 nan 8.190 nan 0.000 0.447 518 D N 1.172 121.576 120.400 0.006 0.000 2.178 518 D HA -0.022 4.625 4.640 0.012 0.000 0.202 518 D C 2.211 178.509 176.300 -0.003 0.000 0.974 518 D CA 1.780 55.782 54.000 0.002 0.000 0.841 518 D CB -0.379 40.424 40.800 0.005 0.000 0.953 518 D HN 0.571 nan 8.370 nan 0.000 0.478 519 A N 0.383 123.201 122.820 -0.003 0.000 1.897 519 A HA -0.060 4.267 4.320 0.012 0.000 0.215 519 A C 2.450 180.023 177.584 -0.019 0.000 1.181 519 A CA 0.757 52.787 52.037 -0.012 0.000 0.620 519 A CB -0.602 18.393 19.000 -0.009 0.000 0.821 519 A HN 0.123 nan 8.150 nan 0.000 0.443 520 V N 0.154 120.062 119.914 -0.011 0.000 2.295 520 V HA -0.271 3.856 4.120 0.012 0.000 0.246 520 V C 2.439 178.519 176.094 -0.022 0.000 1.049 520 V CA 2.353 64.644 62.300 -0.015 0.000 1.024 520 V CB -0.805 31.018 31.823 0.001 0.000 0.648 520 V HN 0.634 nan 8.190 nan 0.000 0.447 521 E N -0.233 119.958 120.200 -0.015 0.000 2.038 521 E HA -0.250 4.108 4.350 0.012 0.000 0.195 521 E C 2.220 178.805 176.600 -0.025 0.000 1.000 521 E CA 1.467 57.857 56.400 -0.017 0.000 0.803 521 E CB -0.237 29.457 29.700 -0.010 0.000 0.750 521 E HN 0.423 nan 8.360 nan 0.000 0.448 522 L N 0.752 121.960 121.223 -0.024 0.000 2.046 522 L HA -0.211 4.137 4.340 0.012 0.000 0.208 522 L C 2.757 179.600 176.870 -0.044 0.000 1.077 522 L CA 1.826 56.648 54.840 -0.030 0.000 0.747 522 L CB -0.533 41.511 42.059 -0.025 0.000 0.896 522 L HN 0.334 nan 8.230 nan 0.000 0.432 523 T N -3.864 110.658 114.554 -0.053 0.000 2.788 523 T HA -0.255 4.102 4.350 0.012 0.000 0.268 523 T C 1.752 176.407 174.700 -0.075 0.000 1.044 523 T CA 1.313 63.369 62.100 -0.072 0.000 1.139 523 T CB -0.385 68.434 68.868 -0.082 0.000 0.867 523 T HN 0.388 nan 8.240 nan 0.000 0.454 524 Q N 0.708 120.470 119.800 -0.063 0.000 2.119 524 Q HA -0.087 4.261 4.340 0.012 0.000 0.201 524 Q C 2.648 178.617 176.000 -0.052 0.000 0.972 524 Q CA 1.358 57.126 55.803 -0.059 0.000 0.847 524 Q CB -0.261 28.449 28.738 -0.046 0.000 0.903 524 Q HN 0.634 nan 8.270 nan 0.000 0.433 525 Q N -0.137 119.636 119.800 -0.045 0.000 2.096 525 Q HA -0.174 4.174 4.340 0.012 0.000 0.204 525 Q C 2.112 178.082 176.000 -0.049 0.000 0.982 525 Q CA 1.528 57.307 55.803 -0.041 0.000 0.850 525 Q CB 0.109 28.827 28.738 -0.033 0.000 0.901 525 Q HN 0.243 nan 8.270 nan 0.000 0.422 526 V N 0.389 120.270 119.914 -0.056 0.000 2.270 526 V HA -0.270 3.858 4.120 0.012 0.000 0.245 526 V C 2.245 178.305 176.094 -0.057 0.000 1.043 526 V CA 1.794 64.056 62.300 -0.062 0.000 1.014 526 V CB -1.120 30.655 31.823 -0.081 0.000 0.645 526 V HN 0.432 nan 8.190 nan 0.000 0.447 527 A N -0.164 122.622 122.820 -0.057 0.000 1.940 527 A HA -0.272 4.056 4.320 0.012 0.000 0.219 527 A C 2.287 179.844 177.584 -0.045 0.000 1.176 527 A CA 2.202 54.213 52.037 -0.043 0.000 0.631 527 A CB -0.482 18.482 19.000 -0.059 0.000 0.814 527 A HN 0.559 nan 8.150 nan 0.000 0.446 528 K N -0.198 120.170 120.400 -0.053 0.000 2.057 528 K HA -0.069 4.259 4.320 0.012 0.000 0.207 528 K C 2.363 178.914 176.600 -0.081 0.000 1.049 528 K CA 1.509 57.763 56.287 -0.055 0.000 0.931 528 K CB -0.180 32.292 32.500 -0.047 0.000 0.714 528 K HN 0.421 nan 8.250 nan 0.000 0.440 529 S N 0.933 116.578 115.700 -0.092 0.000 2.382 529 S HA -0.100 4.377 4.470 0.012 0.000 0.228 529 S C 1.937 176.391 174.600 -0.243 0.000 1.027 529 S CA 1.112 59.230 58.200 -0.137 0.000 0.991 529 S CB -0.207 62.933 63.200 -0.101 0.000 0.823 529 S HN 0.169 nan 8.310 nan 0.000 0.469 530 I N 1.194 121.656 120.570 -0.181 0.000 2.163 530 I HA -0.137 4.041 4.170 0.012 0.000 0.240 530 I C 2.630 178.629 176.117 -0.197 0.000 1.081 530 I CA 1.210 62.390 61.300 -0.200 0.000 1.353 530 I CB -0.276 37.739 38.000 0.025 0.000 1.054 530 I HN 0.161 nan 8.210 nan 0.000 0.407 531 E N 0.912 121.058 120.200 -0.090 0.000 2.153 531 E HA -0.189 4.168 4.350 0.012 0.000 0.194 531 E C 2.031 178.582 176.600 -0.082 0.000 0.988 531 E CA 1.575 57.945 56.400 -0.051 0.000 0.811 531 E CB -0.154 29.532 29.700 -0.023 0.000 0.746 531 E HN 0.484 nan 8.360 nan 0.000 0.466 532 S N -0.561 115.062 115.700 -0.129 0.000 2.631 532 S HA 0.128 4.605 4.470 0.012 0.000 0.217 532 S C 0.439 174.925 174.600 -0.191 0.000 0.958 532 S CA 0.142 58.269 58.200 -0.121 0.000 0.920 532 S CB -0.248 62.893 63.200 -0.098 0.000 0.776 532 S HN 0.321 nan 8.310 nan 0.000 0.517 533 R N 0.495 120.783 120.500 -0.354 0.000 3.651 533 R HA -0.102 4.246 4.340 0.012 0.000 0.292 533 R C -1.392 174.506 176.300 -0.671 0.000 1.161 533 R CA 0.770 56.508 56.100 -0.603 0.000 0.787 533 R CB -2.418 27.821 30.300 -0.101 0.000 1.249 533 R HN 0.424 nan 8.270 nan 0.000 0.476 534 N N 0.583 118.929 118.700 -0.589 0.000 3.091 534 N HA 0.159 4.906 4.740 0.012 0.000 0.255 534 N C 0.338 175.664 175.510 -0.307 0.000 1.204 534 N CA -0.240 52.627 53.050 -0.305 0.000 0.990 534 N CB 0.145 38.542 38.487 -0.150 0.000 1.260 534 N HN 0.095 nan 8.380 nan 0.000 0.502 535 F N 1.223 121.199 119.950 0.044 0.000 2.146 535 F HA -0.122 4.412 4.527 0.013 0.000 0.298 535 F C 2.245 178.085 175.800 0.067 0.000 1.096 535 F CA 0.806 58.839 58.000 0.054 0.000 1.275 535 F CB -0.079 38.958 39.000 0.061 0.000 1.008 535 F HN 0.280 nan 8.300 nan 0.000 0.480 536 K N 1.211 121.743 120.400 0.220 0.000 2.074 536 K HA -0.262 4.066 4.320 0.012 0.000 0.209 536 K C 2.011 178.676 176.600 0.109 0.000 1.048 536 K CA 1.919 58.298 56.287 0.155 0.000 0.926 536 K CB -0.556 32.019 32.500 0.124 0.000 0.713 536 K HN 0.248 nan 8.250 nan 0.000 0.444 537 K N 1.077 121.515 120.400 0.063 0.000 2.001 537 K HA -0.094 4.233 4.320 0.012 0.000 0.208 537 K C 2.365 178.983 176.600 0.030 0.000 1.048 537 K CA 1.222 57.528 56.287 0.031 0.000 0.932 537 K CB -0.337 32.158 32.500 -0.008 0.000 0.715 537 K HN 0.236 nan 8.250 nan 0.000 0.437 538 A N 1.538 124.368 122.820 0.017 0.000 1.903 538 A HA -0.208 4.120 4.320 0.012 0.000 0.219 538 A C 2.139 179.746 177.584 0.038 0.000 1.191 538 A CA 1.962 54.005 52.037 0.011 0.000 0.638 538 A CB -0.793 18.221 19.000 0.022 0.000 0.823 538 A HN 0.415 nan 8.150 nan 0.000 0.451 539 I N 0.463 121.109 120.570 0.127 0.000 2.163 539 I HA -0.285 3.892 4.170 0.012 0.000 0.243 539 I C 2.940 179.165 176.117 0.180 0.000 1.085 539 I CA 1.774 63.207 61.300 0.222 0.000 1.347 539 I CB -0.311 37.864 38.000 0.291 0.000 1.044 539 I HN 0.545 nan 8.210 nan 0.000 0.408 540 S N 1.132 116.907 115.700 0.125 0.000 2.402 540 S HA -0.103 4.375 4.470 0.012 0.000 0.229 540 S C 1.987 176.626 174.600 0.065 0.000 1.021 540 S CA 0.854 59.113 58.200 0.099 0.000 0.974 540 S CB -0.760 62.486 63.200 0.077 0.000 0.800 540 S HN 0.426 nan 8.310 nan 0.000 0.484 541 L N 0.563 121.805 121.223 0.032 0.000 2.201 541 L HA 0.051 4.399 4.340 0.012 0.000 0.212 541 L C 1.640 178.497 176.870 -0.022 0.000 1.105 541 L CA 0.553 55.393 54.840 -0.000 0.000 0.775 541 L CB -0.386 41.660 42.059 -0.021 0.000 0.913 541 L HN 0.228 nan 8.230 nan 0.000 0.440 542 R N 1.513 121.986 120.500 -0.046 0.000 2.707 542 R HA 0.043 4.390 4.340 0.012 0.000 0.270 542 R C -0.179 176.139 176.300 0.031 0.000 1.083 542 R CA -0.332 55.703 56.100 -0.108 0.000 1.182 542 R CB 0.057 30.117 30.300 -0.400 0.000 1.084 542 R HN 0.169 nan 8.270 nan 0.000 0.528 543 D N 0.075 120.504 120.400 0.049 0.000 2.443 543 D HA -0.100 4.547 4.640 0.012 0.000 0.234 543 D C 0.715 177.110 176.300 0.159 0.000 1.172 543 D CA 0.302 54.360 54.000 0.097 0.000 0.878 543 D CB 0.557 41.409 40.800 0.087 0.000 1.204 543 D HN 0.487 nan 8.370 nan 0.000 0.453 544 S N 1.152 116.920 115.700 0.113 0.000 2.402 544 S HA -0.291 4.186 4.470 0.012 0.000 0.233 544 S C 1.583 176.235 174.600 0.087 0.000 1.030 544 S CA 1.341 59.602 58.200 0.100 0.000 1.003 544 S CB -0.444 62.800 63.200 0.073 0.000 0.813 544 S HN 0.703 nan 8.310 nan 0.000 0.477 545 E N 0.159 120.419 120.200 0.101 0.000 2.072 545 E HA -0.107 4.250 4.350 0.012 0.000 0.191 545 E C 1.720 178.367 176.600 0.079 0.000 0.985 545 E CA 1.074 57.490 56.400 0.027 0.000 0.801 545 E CB -0.216 29.574 29.700 0.150 0.000 0.750 545 E HN 0.643 nan 8.360 nan 0.000 0.452 546 F N 0.780 120.819 119.950 0.150 0.000 2.134 546 F HA -0.228 4.307 4.527 0.013 0.000 0.299 546 F C 2.019 177.896 175.800 0.129 0.000 1.097 546 F CA 1.376 59.500 58.000 0.206 0.000 1.264 546 F CB -0.120 39.002 39.000 0.204 0.000 1.001 546 F HN -0.121 nan 8.300 nan 0.000 0.479 547 V N -0.251 119.823 119.914 0.266 0.000 2.427 547 V HA -0.255 3.873 4.120 0.012 0.000 0.248 547 V C 2.286 178.406 176.094 0.044 0.000 1.051 547 V CA 2.115 64.514 62.300 0.165 0.000 1.048 547 V CB -0.900 31.026 31.823 0.172 0.000 0.666 547 V HN 0.386 nan 8.190 nan 0.000 0.456 548 E N -0.559 119.632 120.200 -0.016 0.000 2.072 548 E HA -0.211 4.147 4.350 0.012 0.000 0.191 548 E C 2.326 178.872 176.600 -0.090 0.000 0.985 548 E CA 1.085 57.439 56.400 -0.076 0.000 0.801 548 E CB -0.065 29.546 29.700 -0.148 0.000 0.750 548 E HN 0.671 nan 8.360 nan 0.000 0.452 549 H N -0.302 118.737 119.070 -0.053 0.000 2.387 549 H HA -0.097 4.466 4.556 0.013 0.000 0.299 549 H C 2.136 177.389 175.328 -0.125 0.000 1.090 549 H CA 1.026 57.004 56.048 -0.117 0.000 1.332 549 H CB -0.142 29.495 29.762 -0.208 0.000 1.386 549 H HN 0.216 nan 8.280 nan 0.000 0.516 550 M N 0.877 120.423 119.600 -0.089 0.000 2.117 550 M HA -0.151 4.336 4.480 0.012 0.000 0.262 550 M C 2.048 178.389 176.300 0.068 0.000 1.065 550 M CA 1.388 56.647 55.300 -0.069 0.000 1.114 550 M CB -0.428 32.093 32.600 -0.132 0.000 1.361 550 M HN 0.190 nan 8.290 nan 0.000 0.408 551 K N -0.359 120.077 120.400 0.061 0.000 2.002 551 K HA -0.155 4.172 4.320 0.012 0.000 0.209 551 K C 1.680 178.341 176.600 0.102 0.000 1.048 551 K CA 1.318 57.654 56.287 0.082 0.000 0.930 551 K CB -0.253 32.289 32.500 0.070 0.000 0.714 551 K HN 0.309 nan 8.250 nan 0.000 0.438 552 N N 0.801 119.558 118.700 0.096 0.000 2.061 552 N HA -0.199 4.549 4.740 0.012 0.000 0.193 552 N C 1.612 177.225 175.510 0.171 0.000 1.030 552 N CA 1.221 54.337 53.050 0.109 0.000 0.856 552 N CB -0.503 38.062 38.487 0.129 0.000 1.023 552 N HN 0.153 nan 8.380 nan 0.000 0.424 553 F N 1.669 121.639 119.950 0.033 0.000 2.084 553 F HA -0.114 4.420 4.527 0.011 0.000 0.296 553 F C 2.260 178.096 175.800 0.059 0.000 1.111 553 F CA 1.093 59.110 58.000 0.027 0.000 1.224 553 F CB -0.246 38.727 39.000 -0.047 0.000 0.991 553 F HN 0.031 nan 8.300 nan 0.000 0.471 554 I N -0.146 120.389 120.570 -0.058 0.000 2.286 554 I HA -0.202 3.975 4.170 0.012 0.000 0.248 554 I C 2.343 178.408 176.117 -0.087 0.000 1.115 554 I CA 1.864 63.074 61.300 -0.149 0.000 1.392 554 I CB -0.813 37.174 38.000 -0.021 0.000 1.065 554 I HN 0.241 nan 8.210 nan 0.000 0.418 555 S N 1.119 116.834 115.700 0.025 0.000 2.355 555 S HA -0.212 4.265 4.470 0.012 0.000 0.222 555 S C 2.154 176.793 174.600 0.065 0.000 1.031 555 S CA 1.623 59.876 58.200 0.089 0.000 0.993 555 S CB -1.805 61.555 63.200 0.267 0.000 0.859 555 S HN 0.725 nan 8.310 nan 0.000 0.453 556 T N -0.006 114.596 114.554 0.080 0.000 2.867 556 T HA -0.046 4.312 4.350 0.012 0.000 0.268 556 T C 1.690 176.408 174.700 0.029 0.000 1.057 556 T CA 1.514 63.663 62.100 0.083 0.000 1.136 556 T CB -0.895 68.073 68.868 0.166 0.000 0.874 556 T HN 0.481 nan 8.240 nan 0.000 0.466 557 N N 0.988 119.620 118.700 -0.114 0.000 2.270 557 N HA 0.050 4.798 4.740 0.012 0.000 0.181 557 N C 0.925 176.413 175.510 -0.038 0.000 1.016 557 N CA 0.610 53.599 53.050 -0.103 0.000 0.870 557 N CB 0.002 38.227 38.487 -0.435 0.000 0.979 557 N HN 0.425 nan 8.380 nan 0.000 0.431 561 H N 0.877 119.702 119.070 -0.410 0.000 2.708 561 H HA 0.578 5.141 4.556 0.012 0.000 0.309 561 H C -0.872 174.333 175.328 -0.206 0.000 1.084 561 H CA 0.427 56.275 56.048 -0.332 0.000 1.165 561 H CB -0.325 29.183 29.762 -0.424 0.000 1.388 561 H HN -0.080 nan 8.280 nan 0.000 0.553 562 V N 1.168 121.067 119.914 -0.024 0.000 3.077 562 V HA 0.212 4.340 4.120 0.012 0.000 0.299 562 V C -2.223 173.833 176.094 -0.064 0.000 1.276 562 V CA -1.667 60.612 62.300 -0.035 0.000 0.993 562 V CB 2.561 34.354 31.823 -0.049 0.000 1.076 562 V HN 0.241 nan 8.190 nan 0.000 0.434 563 P HA 0.251 nan 4.420 nan 0.000 0.266 563 P C -2.615 174.634 177.300 -0.086 0.000 1.195 563 P CA -0.642 62.417 63.100 -0.069 0.000 0.768 563 P CB -0.220 31.448 31.700 -0.053 0.000 0.838 564 P HA -0.065 nan 4.420 nan 0.000 0.266 564 P C 0.764 177.993 177.300 -0.118 0.000 1.186 564 P CA 0.341 63.361 63.100 -0.134 0.000 0.767 564 P CB 0.232 31.841 31.700 -0.152 0.000 0.820 565 S N 1.587 117.207 115.700 -0.134 0.000 2.562 565 S HA 0.067 4.545 4.470 0.012 0.000 0.221 565 S C 0.571 175.114 174.600 -0.095 0.000 0.975 565 S CA 0.214 58.355 58.200 -0.098 0.000 0.918 565 S CB -0.423 62.727 63.200 -0.084 0.000 0.772 565 S HN 0.266 nan 8.310 nan 0.000 0.531 566 L N 1.630 122.772 121.223 -0.135 0.000 2.330 566 L HA 0.578 4.925 4.340 0.012 0.000 0.271 566 L C -2.627 174.184 176.870 -0.097 0.000 1.013 566 L CA -2.872 51.897 54.840 -0.118 0.000 0.816 566 L CB 1.863 43.813 42.059 -0.180 0.000 1.287 566 L HN -0.043 nan 8.230 nan 0.000 0.435 567 P HA 0.118 nan 4.420 nan 0.000 0.274 567 P C 0.665 177.932 177.300 -0.055 0.000 1.231 567 P CA -0.479 62.590 63.100 -0.051 0.000 0.790 567 P CB 0.877 32.558 31.700 -0.032 0.000 0.951 568 L N 1.591 122.787 121.223 -0.046 0.000 2.064 568 L HA -0.307 4.041 4.340 0.012 0.000 0.216 568 L C 2.150 179.005 176.870 -0.025 0.000 1.077 568 L CA 1.940 56.756 54.840 -0.040 0.000 0.766 568 L CB -0.500 41.542 42.059 -0.029 0.000 0.890 568 L HN 0.399 nan 8.230 nan 0.000 0.435 569 E N -0.348 119.842 120.200 -0.016 0.000 2.077 569 E HA -0.228 4.130 4.350 0.012 0.000 0.193 569 E C 1.792 178.395 176.600 0.006 0.000 0.989 569 E CA 1.177 57.575 56.400 -0.003 0.000 0.800 569 E CB -0.471 29.228 29.700 -0.002 0.000 0.746 569 E HN 0.508 nan 8.360 nan 0.000 0.452 570 K N 1.094 121.491 120.400 -0.005 0.000 2.525 570 K HA 0.080 4.407 4.320 0.012 0.000 0.192 570 K C 0.503 177.113 176.600 0.017 0.000 1.029 570 K CA 0.059 56.353 56.287 0.012 0.000 1.029 570 K CB 0.069 32.569 32.500 0.001 0.000 0.814 570 K HN 0.066 nan 8.250 nan 0.000 0.503 571 R N 1.584 122.072 120.500 -0.020 0.000 2.308 571 R HA 0.174 4.521 4.340 0.012 0.000 0.305 571 R C 0.277 176.660 176.300 0.139 0.000 1.053 571 R CA -0.186 55.885 56.100 -0.049 0.000 0.957 571 R CB 0.826 31.055 30.300 -0.118 0.000 1.022 571 R HN -0.160 nan 8.270 nan 0.000 0.461 572 K N 2.214 122.871 120.400 0.429 0.000 2.316 572 K HA 0.397 4.724 4.320 0.012 0.000 0.234 572 K C -0.613 176.136 176.600 0.248 0.000 1.054 572 K CA -0.989 55.477 56.287 0.298 0.000 0.879 572 K CB 1.313 33.918 32.500 0.175 0.000 1.252 572 K HN 0.296 nan 8.250 nan 0.000 0.471 573 K N 1.255 121.773 120.400 0.196 0.000 2.404 573 K HA 0.429 4.757 4.320 0.012 0.000 0.257 573 K C -0.616 176.089 176.600 0.175 0.000 1.026 573 K CA -0.164 56.288 56.287 0.274 0.000 0.951 573 K CB 0.406 33.147 32.500 0.402 0.000 1.203 573 K HN 0.377 nan 8.250 nan 0.000 0.446 574 I N 2.349 122.944 120.570 0.042 0.000 2.377 574 I HA 0.425 4.602 4.170 0.012 0.000 0.293 574 I C -0.044 175.948 176.117 -0.208 0.000 0.987 574 I CA -0.658 60.580 61.300 -0.102 0.000 1.185 574 I CB 1.898 39.816 38.000 -0.138 0.000 1.341 574 I HN 0.493 nan 8.210 nan 0.000 0.455 575 A N 6.863 129.408 122.820 -0.459 0.000 2.337 575 A HA 0.872 5.200 4.320 0.012 0.000 0.331 575 A C -0.938 176.450 177.584 -0.327 0.000 1.137 575 A CA -0.565 51.104 52.037 -0.614 0.000 0.807 575 A CB 1.321 19.422 19.000 -1.498 0.000 1.250 575 A HN 0.726 nan 8.150 nan 0.000 0.468 576 I N 1.264 121.695 120.570 -0.232 0.000 2.647 576 I HA 0.667 4.844 4.170 0.012 0.000 0.295 576 I C -1.421 174.612 176.117 -0.140 0.000 1.078 576 I CA -0.995 60.226 61.300 -0.132 0.000 1.048 576 I CB 1.683 39.643 38.000 -0.066 0.000 1.239 576 I HN 0.635 nan 8.210 nan 0.000 0.421 577 I N 5.103 125.600 120.570 -0.122 0.000 2.934 577 I HA 0.565 4.742 4.170 0.012 0.000 0.306 577 I C -1.061 174.990 176.117 -0.109 0.000 1.110 577 I CA -0.789 60.412 61.300 -0.166 0.000 1.019 577 I CB 1.880 39.692 38.000 -0.313 0.000 1.227 577 I HN 0.329 nan 8.210 nan 0.000 0.434 578 N N 2.486 121.117 118.700 -0.114 0.000 2.443 578 N HA 0.623 5.370 4.740 0.012 0.000 0.269 578 N C -1.371 174.114 175.510 -0.042 0.000 0.985 578 N CA -0.392 52.621 53.050 -0.060 0.000 0.921 578 N CB 2.393 40.840 38.487 -0.066 0.000 1.195 578 N HN 0.389 nan 8.380 nan 0.000 0.492 579 V N 0.918 120.841 119.914 0.015 0.000 2.483 579 V HA 0.923 5.050 4.120 0.012 0.000 0.297 579 V C 0.638 176.788 176.094 0.092 0.000 1.027 579 V CA -0.376 61.968 62.300 0.075 0.000 0.855 579 V CB 0.929 32.852 31.823 0.166 0.000 0.995 579 V HN 0.920 nan 8.190 nan 0.000 0.424 580 G N 3.798 112.651 108.800 0.089 0.000 2.352 580 G HA2 0.422 4.390 3.960 0.012 0.000 0.324 580 G HA3 0.422 4.390 3.960 0.012 0.000 0.324 580 G C -0.266 174.666 174.900 0.054 0.000 1.249 580 G CA -0.050 45.102 45.100 0.087 0.000 1.053 580 G HN 1.452 nan 8.290 nan 0.000 0.492 581 A N 0.655 123.503 122.820 0.047 0.000 2.351 581 A HA 0.792 5.119 4.320 0.012 0.000 0.257 581 A C -1.801 175.790 177.584 0.011 0.000 1.087 581 A CA -0.501 51.552 52.037 0.026 0.000 0.798 581 A CB -0.157 18.861 19.000 0.030 0.000 1.033 581 A HN 0.624 nan 8.150 nan 0.000 0.488 582 P HA 0.393 nan 4.420 nan 0.000 0.269 582 P C -0.651 176.637 177.300 -0.019 0.000 1.215 582 P CA 0.346 63.434 63.100 -0.020 0.000 0.780 582 P CB 0.818 32.498 31.700 -0.033 0.000 0.898 583 A N 1.734 124.540 122.820 -0.024 0.000 2.517 583 A HA 0.627 4.954 4.320 0.012 0.000 0.297 583 A C 0.064 177.633 177.584 -0.025 0.000 1.050 583 A CA -0.443 51.579 52.037 -0.025 0.000 0.694 583 A CB 1.008 19.994 19.000 -0.025 0.000 1.277 583 A HN 0.582 nan 8.150 nan 0.000 0.400 584 G N 0.185 108.971 108.800 -0.023 0.000 2.202 584 G HA2 0.502 4.470 3.960 0.012 0.000 0.251 584 G HA3 0.502 4.470 3.960 0.012 0.000 0.251 584 G C 1.175 176.072 174.900 -0.004 0.000 1.219 584 G CA 0.874 45.963 45.100 -0.018 0.000 0.943 584 G HN 2.442 nan 8.290 nan 0.000 0.465 585 G N 2.196 110.991 108.800 -0.008 0.000 2.231 585 G HA2 -0.288 3.680 3.960 0.012 0.000 0.206 585 G HA3 -0.288 3.680 3.960 0.012 0.000 0.206 585 G C 1.371 176.285 174.900 0.024 0.000 0.996 585 G CA 0.582 45.688 45.100 0.010 0.000 0.645 585 G HN 0.562 nan 8.290 nan 0.000 0.498 586 M N 0.343 119.946 119.600 0.005 0.000 2.065 586 M HA -0.081 4.407 4.480 0.012 0.000 0.259 586 M C 2.449 178.759 176.300 0.017 0.000 1.069 586 M CA 2.116 57.419 55.300 0.004 0.000 1.110 586 M CB -0.442 32.141 32.600 -0.028 0.000 1.328 586 M HN 0.282 nan 8.290 nan 0.000 0.405 587 N N 0.123 118.814 118.700 -0.016 0.000 2.166 587 N HA -0.089 4.658 4.740 0.012 0.000 0.186 587 N C 1.720 177.334 175.510 0.173 0.000 1.019 587 N CA 1.500 54.560 53.050 0.017 0.000 0.856 587 N CB -0.380 38.023 38.487 -0.141 0.000 0.993 587 N HN 0.263 nan 8.380 nan 0.000 0.426 588 S N 0.854 116.622 115.700 0.114 0.000 2.368 588 S HA -0.008 4.469 4.470 0.012 0.000 0.224 588 S C 2.130 176.842 174.600 0.186 0.000 1.029 588 S CA 0.963 59.252 58.200 0.148 0.000 0.988 588 S CB -0.283 62.953 63.200 0.060 0.000 0.838 588 S HN 0.480 nan 8.310 nan 0.000 0.462 589 A N 1.253 124.152 122.820 0.132 0.000 1.933 589 A HA -0.036 4.291 4.320 0.012 0.000 0.218 589 A C 2.325 179.994 177.584 0.143 0.000 1.175 589 A CA 1.455 53.568 52.037 0.127 0.000 0.628 589 A CB -0.814 18.250 19.000 0.106 0.000 0.814 589 A HN 0.346 nan 8.150 nan 0.000 0.444 590 V N -1.658 118.358 119.914 0.171 0.000 2.283 590 V HA -0.240 3.888 4.120 0.012 0.000 0.243 590 V C 2.293 178.504 176.094 0.195 0.000 1.039 590 V CA 1.910 64.321 62.300 0.185 0.000 1.016 590 V CB -1.074 30.901 31.823 0.253 0.000 0.650 590 V HN 0.695 nan 8.190 nan 0.000 0.449 591 Y N 1.475 121.888 120.300 0.189 0.000 2.081 591 Y HA -0.309 4.246 4.550 0.010 0.000 0.280 591 Y C 2.780 178.738 175.900 0.097 0.000 1.163 591 Y CA 2.264 60.439 58.100 0.125 0.000 1.135 591 Y CB -0.324 38.229 38.460 0.155 0.000 0.970 591 Y HN 0.209 nan 8.280 nan 0.000 0.498 592 S N 0.347 116.167 115.700 0.201 0.000 2.368 592 S HA -0.233 4.244 4.470 0.012 0.000 0.224 592 S C 1.944 176.600 174.600 0.093 0.000 1.029 592 S CA 1.667 59.955 58.200 0.146 0.000 0.988 592 S CB -0.535 62.774 63.200 0.181 0.000 0.838 592 S HN 0.698 nan 8.310 nan 0.000 0.462 593 M N 2.204 121.859 119.600 0.092 0.000 2.132 593 M HA 0.146 4.633 4.480 0.012 0.000 0.263 593 M C 1.951 178.287 176.300 0.060 0.000 1.065 593 M CA 1.800 57.164 55.300 0.105 0.000 1.122 593 M CB -0.847 31.803 32.600 0.083 0.000 1.365 593 M HN 0.107 nan 8.290 nan 0.000 0.411 594 A N 0.660 123.458 122.820 -0.036 0.000 1.873 594 A HA -0.110 4.217 4.320 0.012 0.000 0.215 594 A C 2.445 179.961 177.584 -0.115 0.000 1.186 594 A CA 2.485 54.460 52.037 -0.102 0.000 0.616 594 A CB -1.702 17.196 19.000 -0.170 0.000 0.823 594 A HN 0.761 nan 8.150 nan 0.000 0.442 595 T N -3.560 110.884 114.554 -0.183 0.000 2.821 595 T HA -0.215 4.142 4.350 0.012 0.000 0.267 595 T C 1.845 176.536 174.700 -0.015 0.000 1.046 595 T CA 1.547 63.564 62.100 -0.139 0.000 1.139 595 T CB -0.579 68.134 68.868 -0.260 0.000 0.871 595 T HN 0.497 nan 8.240 nan 0.000 0.454 596 Y N 0.687 120.954 120.300 -0.055 0.000 2.263 596 Y HA -0.047 4.509 4.550 0.011 0.000 0.292 596 Y C 2.677 178.598 175.900 0.034 0.000 1.130 596 Y CA 0.685 58.788 58.100 0.004 0.000 1.179 596 Y CB -0.593 37.892 38.460 0.043 0.000 0.998 596 Y HN 0.280 nan 8.280 nan 0.000 0.532 597 C N 0.513 119.806 119.300 -0.011 0.000 2.413 597 C HA -0.246 4.221 4.460 0.012 0.000 0.276 597 C C 2.710 177.640 174.990 -0.101 0.000 1.236 597 C CA 1.674 60.692 59.018 -0.000 0.000 1.735 597 C CB -1.172 26.586 27.740 0.030 0.000 2.031 597 C HN 0.643 nan 8.230 nan 0.000 0.474 598 M N 0.585 120.111 119.600 -0.123 0.000 2.117 598 M HA -0.153 4.335 4.480 0.012 0.000 0.262 598 M C 2.468 178.655 176.300 -0.188 0.000 1.065 598 M CA 2.053 57.261 55.300 -0.152 0.000 1.114 598 M CB -0.618 31.894 32.600 -0.146 0.000 1.361 598 M HN 0.527 nan 8.290 nan 0.000 0.408 599 S N 0.356 115.933 115.700 -0.205 0.000 2.370 599 S HA -0.137 4.340 4.470 0.012 0.000 0.226 599 S C 2.046 176.480 174.600 -0.276 0.000 1.033 599 S CA 1.118 59.189 58.200 -0.216 0.000 1.011 599 S CB -0.083 63.007 63.200 -0.184 0.000 0.852 599 S HN 0.347 nan 8.310 nan 0.000 0.457 600 R N 0.405 120.669 120.500 -0.393 0.000 2.127 600 R HA 0.259 4.607 4.340 0.012 0.000 0.217 600 R C 1.928 177.976 176.300 -0.421 0.000 1.074 600 R CA 0.870 56.717 56.100 -0.423 0.000 0.991 600 R CB -1.341 28.655 30.300 -0.508 0.000 0.895 600 R HN 0.660 nan 8.270 nan 0.000 0.450 601 G N 0.971 109.552 108.800 -0.364 0.000 2.143 601 G HA2 -0.178 3.789 3.960 0.012 0.000 0.175 601 G HA3 -0.178 3.789 3.960 0.012 0.000 0.175 601 G C -0.092 174.641 174.900 -0.278 0.000 1.004 601 G CA -0.337 44.591 45.100 -0.287 0.000 0.671 601 G HN 0.296 nan 8.290 nan 0.000 0.512 602 H N -0.582 118.418 119.070 -0.116 0.000 2.544 602 H HA 0.496 5.059 4.556 0.012 0.000 0.365 602 H C 0.270 175.533 175.328 -0.109 0.000 1.268 602 H CA 0.339 56.336 56.048 -0.084 0.000 1.400 602 H CB 1.482 31.200 29.762 -0.074 0.000 1.538 602 H HN 0.091 nan 8.280 nan 0.000 0.597 603 V N 4.200 124.141 119.914 0.046 0.000 2.294 603 V HA 0.174 4.301 4.120 0.012 0.000 0.272 603 V C -2.153 173.760 176.094 -0.302 0.000 1.027 603 V CA -1.691 60.516 62.300 -0.155 0.000 0.823 603 V CB 0.788 32.529 31.823 -0.137 0.000 1.030 603 V HN 0.546 nan 8.190 nan 0.000 0.457 604 P HA 0.362 nan 4.420 nan 0.000 0.287 604 P C -1.362 175.678 177.300 -0.433 0.000 1.281 604 P CA -0.182 62.756 63.100 -0.270 0.000 0.781 604 P CB 0.541 32.142 31.700 -0.164 0.000 0.903 605 Y N 1.487 121.713 120.300 -0.124 0.000 2.429 605 Y HA 0.597 5.153 4.550 0.011 0.000 0.342 605 Y C 0.480 176.274 175.900 -0.176 0.000 1.004 605 Y CA -0.879 57.139 58.100 -0.136 0.000 1.075 605 Y CB 1.952 40.321 38.460 -0.151 0.000 1.214 605 Y HN 0.404 nan 8.280 nan 0.000 0.455 606 A N 4.089 126.950 122.820 0.067 0.000 2.304 606 A HA 0.692 5.019 4.320 0.012 0.000 0.314 606 A C -0.897 176.688 177.584 0.002 0.000 1.187 606 A CA -0.667 51.358 52.037 -0.021 0.000 0.810 606 A CB 0.093 19.078 19.000 -0.024 0.000 1.183 606 A HN 0.774 nan 8.150 nan 0.000 0.487 607 I N 3.632 124.150 120.570 -0.087 0.000 2.281 607 I HA 0.154 4.331 4.170 0.012 0.000 0.293 607 I C -0.208 175.870 176.117 -0.065 0.000 1.085 607 I CA -0.350 60.930 61.300 -0.034 0.000 1.257 607 I CB 0.131 38.099 38.000 -0.054 0.000 1.430 607 I HN 0.630 nan 8.210 nan 0.000 0.489 608 H N 6.317 125.376 119.070 -0.019 0.000 2.764 608 H HA 0.148 4.712 4.556 0.012 0.000 0.341 608 H C 0.357 175.680 175.328 -0.009 0.000 1.072 608 H CA 0.204 56.247 56.048 -0.009 0.000 1.444 608 H CB 0.295 30.060 29.762 0.004 0.000 1.458 608 H HN 0.486 nan 8.280 nan 0.000 0.572 609 N N 2.448 121.188 118.700 0.065 0.000 2.696 609 N HA -0.225 4.523 4.740 0.012 0.000 0.256 609 N C 0.870 176.400 175.510 0.033 0.000 1.031 609 N CA 0.964 54.042 53.050 0.047 0.000 0.730 609 N CB -1.317 37.212 38.487 0.071 0.000 0.894 609 N HN 1.104 nan 8.380 nan 0.000 0.544 610 G N 0.292 109.066 108.800 -0.043 0.000 2.581 610 G HA2 -0.370 3.598 3.960 0.012 0.000 0.291 610 G HA3 -0.370 3.598 3.960 0.012 0.000 0.291 610 G C 0.662 175.484 174.900 -0.131 0.000 1.277 610 G CA 0.621 45.649 45.100 -0.120 0.000 0.959 610 G HN 0.242 nan 8.290 nan 0.000 0.554 611 F N 1.934 121.941 119.950 0.095 0.000 2.367 611 F HA 0.055 4.590 4.527 0.015 0.000 0.298 611 F C 3.097 178.959 175.800 0.104 0.000 1.094 611 F CA 1.836 59.896 58.000 0.099 0.000 1.409 611 F CB -0.308 38.730 39.000 0.064 0.000 1.064 611 F HN 0.506 nan 8.300 nan 0.000 0.528 612 S N -0.287 115.560 115.700 0.246 0.000 2.368 612 S HA -0.090 4.387 4.470 0.012 0.000 0.224 612 S C 2.453 177.178 174.600 0.208 0.000 1.029 612 S CA 1.096 59.410 58.200 0.191 0.000 0.988 612 S CB -1.412 61.888 63.200 0.167 0.000 0.838 612 S HN 0.329 nan 8.310 nan 0.000 0.462 613 G N 1.728 110.657 108.800 0.215 0.000 2.422 613 G HA2 -0.087 3.881 3.960 0.012 0.000 0.218 613 G HA3 -0.087 3.881 3.960 0.012 0.000 0.218 613 G C 1.381 176.403 174.900 0.202 0.000 1.146 613 G CA 1.003 46.255 45.100 0.253 0.000 0.769 613 G HN 0.452 nan 8.290 nan 0.000 0.547 614 L N 1.193 122.521 121.223 0.176 0.000 1.988 614 L HA 0.248 4.596 4.340 0.012 0.000 0.207 614 L C 3.114 180.163 176.870 0.298 0.000 1.071 614 L CA 2.268 57.223 54.840 0.193 0.000 0.744 614 L CB -0.823 41.410 42.059 0.290 0.000 0.893 614 L HN 0.210 nan 8.230 nan 0.000 0.433 615 A N -0.670 122.341 122.820 0.318 0.000 1.902 615 A HA -0.209 4.119 4.320 0.012 0.000 0.217 615 A C 2.491 180.183 177.584 0.181 0.000 1.181 615 A CA 1.974 54.187 52.037 0.293 0.000 0.623 615 A CB -0.529 18.571 19.000 0.167 0.000 0.818 615 A HN 0.493 nan 8.150 nan 0.000 0.443 616 R N -2.238 118.255 120.500 -0.013 0.000 2.189 616 R HA 0.072 4.420 4.340 0.012 0.000 0.203 616 R C 0.821 176.791 176.300 -0.549 0.000 1.012 616 R CA 0.940 56.843 56.100 -0.330 0.000 1.015 616 R CB 0.093 30.051 30.300 -0.570 0.000 0.938 616 R HN 0.690 nan 8.270 nan 0.000 0.472 617 H N -1.441 117.690 119.070 0.101 0.000 3.398 617 H HA 0.114 4.680 4.556 0.017 0.000 0.260 617 H C -0.438 174.859 175.328 -0.052 0.000 1.189 617 H CA -0.058 56.014 56.048 0.039 0.000 1.145 617 H CB 0.746 30.524 29.762 0.027 0.000 1.599 617 H HN 0.144 nan 8.280 nan 0.000 0.615 618 E N 2.220 122.341 120.200 -0.132 0.000 2.271 618 E HA -0.176 4.182 4.350 0.012 0.000 0.223 618 E C 0.059 176.519 176.600 -0.233 0.000 1.223 618 E CA 0.475 56.562 56.400 -0.522 0.000 0.704 618 E CB -0.864 28.517 29.700 -0.530 0.000 1.194 618 E HN 0.455 nan 8.360 nan 0.000 0.375 619 S N -0.975 114.666 115.700 -0.098 0.000 2.906 619 S HA 0.165 4.643 4.470 0.012 0.000 0.234 619 S C 0.557 175.154 174.600 -0.006 0.000 0.973 619 S CA -0.061 58.131 58.200 -0.012 0.000 1.036 619 S CB 0.340 63.593 63.200 0.089 0.000 0.798 619 S HN 0.234 nan 8.310 nan 0.000 0.498 620 V N 2.580 122.399 119.914 -0.158 0.000 2.470 620 V HA 0.351 4.479 4.120 0.012 0.000 0.276 620 V C 0.568 176.590 176.094 -0.120 0.000 1.040 620 V CA -0.088 62.084 62.300 -0.212 0.000 1.008 620 V CB -0.165 31.229 31.823 -0.716 0.000 0.990 620 V HN 0.503 nan 8.190 nan 0.000 0.477 621 R N 2.820 123.371 120.500 0.085 0.000 2.686 621 R HA 0.526 4.874 4.340 0.012 0.000 0.283 621 R C -0.216 176.210 176.300 0.210 0.000 0.978 621 R CA -0.557 55.620 56.100 0.127 0.000 0.897 621 R CB 2.418 32.777 30.300 0.098 0.000 1.192 621 R HN 0.790 nan 8.270 nan 0.000 0.457 622 S N 1.887 117.679 115.700 0.153 0.000 2.603 622 S HA 0.419 4.896 4.470 0.012 0.000 0.268 622 S C 0.411 174.999 174.600 -0.020 0.000 1.317 622 S CA -0.559 57.660 58.200 0.033 0.000 1.012 622 S CB 0.633 63.837 63.200 0.007 0.000 0.926 622 S HN 0.449 nan 8.310 nan 0.000 0.539 623 I N 2.190 122.690 120.570 -0.116 0.000 2.354 623 I HA 0.298 4.476 4.170 0.012 0.000 0.286 623 I C -0.483 175.544 176.117 -0.150 0.000 1.007 623 I CA -0.640 60.578 61.300 -0.136 0.000 1.167 623 I CB 0.865 38.770 38.000 -0.159 0.000 1.320 623 I HN 0.522 nan 8.210 nan 0.000 0.458 624 N N 5.012 123.626 118.700 -0.145 0.000 2.426 624 N HA 0.037 4.784 4.740 0.012 0.000 0.275 624 N C 0.514 175.951 175.510 -0.123 0.000 1.019 624 N CA -0.466 52.525 53.050 -0.099 0.000 0.941 624 N CB 1.653 40.099 38.487 -0.069 0.000 1.123 624 N HN 0.737 nan 8.380 nan 0.000 0.486 625 W N 3.826 124.995 121.300 -0.218 0.000 2.304 625 W HA -0.209 4.463 4.660 0.021 0.000 0.315 625 W C 1.595 178.011 176.519 -0.172 0.000 1.233 625 W CA 1.145 58.359 57.345 -0.217 0.000 1.261 625 W CB -0.163 29.180 29.460 -0.195 0.000 1.150 625 W HN 0.551 nan 8.180 nan 0.000 0.494 626 L N 1.085 122.210 121.223 -0.164 0.000 2.141 626 L HA -0.162 4.185 4.340 0.012 0.000 0.209 626 L C 1.822 178.477 176.870 -0.359 0.000 1.094 626 L CA 2.261 56.876 54.840 -0.375 0.000 0.763 626 L CB -1.005 41.019 42.059 -0.059 0.000 0.908 626 L HN -0.105 nan 8.230 nan 0.000 0.437 627 D N -0.284 119.943 120.400 -0.287 0.000 2.178 627 D HA -0.108 4.539 4.640 0.012 0.000 0.202 627 D C 1.902 177.882 176.300 -0.533 0.000 0.974 627 D CA 1.714 55.548 54.000 -0.276 0.000 0.841 627 D CB -0.129 40.555 40.800 -0.194 0.000 0.953 627 D HN 0.624 nan 8.370 nan 0.000 0.478 628 I N -1.247 118.838 120.570 -0.809 0.000 3.749 628 I HA 0.155 4.332 4.170 0.012 0.000 0.314 628 I C 0.466 176.222 176.117 -0.601 0.000 1.267 628 I CA -0.258 60.247 61.300 -1.326 0.000 1.169 628 I CB -0.341 36.979 38.000 -1.133 0.000 1.009 628 I HN -0.265 nan 8.210 nan 0.000 0.444 629 E N 2.513 122.451 120.200 -0.437 0.000 2.406 629 E HA 0.201 4.558 4.350 0.012 0.000 0.258 629 E C 1.259 177.815 176.600 -0.073 0.000 1.043 629 E CA 0.833 57.059 56.400 -0.290 0.000 0.929 629 E CB 0.207 29.699 29.700 -0.347 0.000 0.969 629 E HN 0.642 nan 8.360 nan 0.000 0.462 630 G N 4.430 113.165 108.800 -0.109 0.000 2.159 630 G HA2 -0.249 3.718 3.960 0.012 0.000 0.256 630 G HA3 -0.249 3.718 3.960 0.012 0.000 0.256 630 G C 0.338 175.277 174.900 0.064 0.000 0.977 630 G CA 0.247 45.315 45.100 -0.053 0.000 0.652 630 G HN 0.668 nan 8.290 nan 0.000 0.531 631 W N 0.613 121.794 121.300 -0.198 0.000 2.402 631 W HA 0.169 4.828 4.660 -0.003 0.000 0.286 631 W C 2.473 178.910 176.519 -0.137 0.000 1.221 631 W CA 1.493 58.781 57.345 -0.095 0.000 1.257 631 W CB -0.939 28.559 29.460 0.063 0.000 1.120 631 W HN 0.362 nan 8.180 nan 0.000 0.551 632 G N -0.930 107.812 108.800 -0.096 0.000 2.479 632 G HA2 -0.204 3.764 3.960 0.012 0.000 0.220 632 G HA3 -0.204 3.764 3.960 0.012 0.000 0.220 632 G C 1.384 176.229 174.900 -0.092 0.000 1.115 632 G CA 1.382 46.410 45.100 -0.120 0.000 0.757 632 G HN 0.258 nan 8.290 nan 0.000 0.560 633 S N -0.393 115.247 115.700 -0.102 0.000 2.524 633 S HA 0.335 4.812 4.470 0.012 0.000 0.215 633 S C 0.630 175.180 174.600 -0.084 0.000 0.986 633 S CA -0.446 57.698 58.200 -0.093 0.000 0.911 633 S CB 0.335 63.473 63.200 -0.102 0.000 0.805 633 S HN 0.179 nan 8.310 nan 0.000 0.501 634 L N 2.083 123.255 121.223 -0.085 0.000 2.350 634 L HA 0.515 4.863 4.340 0.012 0.000 0.275 634 L C 0.974 177.771 176.870 -0.122 0.000 1.099 634 L CA -0.680 54.089 54.840 -0.119 0.000 0.808 634 L CB 0.533 42.479 42.059 -0.188 0.000 1.149 634 L HN 0.174 nan 8.230 nan 0.000 0.442 635 G N 0.664 109.397 108.800 -0.112 0.000 2.507 635 G HA2 0.527 4.495 3.960 0.012 0.000 0.271 635 G HA3 0.527 4.495 3.960 0.012 0.000 0.271 635 G C 0.282 175.111 174.900 -0.118 0.000 1.189 635 G CA 0.348 45.391 45.100 -0.096 0.000 0.859 635 G HN 0.994 nan 8.290 nan 0.000 0.542 636 G N -0.506 108.237 108.800 -0.096 0.000 2.525 636 G HA2 0.088 4.056 3.960 0.012 0.000 0.248 636 G HA3 0.088 4.056 3.960 0.012 0.000 0.248 636 G C 0.301 175.124 174.900 -0.128 0.000 1.238 636 G CA 0.584 45.624 45.100 -0.099 0.000 0.926 636 G HN 1.962 nan 8.290 nan 0.000 0.574 637 S N -0.355 115.255 115.700 -0.149 0.000 2.774 637 S HA 0.566 5.043 4.470 0.012 0.000 0.297 637 S C 0.772 175.220 174.600 -0.253 0.000 1.143 637 S CA 0.324 58.415 58.200 -0.182 0.000 1.090 637 S CB 1.441 64.571 63.200 -0.116 0.000 1.019 637 S HN 0.519 nan 8.310 nan 0.000 0.482 638 E N 3.823 123.754 120.200 -0.448 0.000 2.107 638 E HA -0.015 4.343 4.350 0.012 0.000 0.191 638 E C 1.600 178.022 176.600 -0.297 0.000 0.982 638 E CA 0.907 56.963 56.400 -0.574 0.000 0.809 638 E CB -0.032 28.778 29.700 -1.483 0.000 0.756 638 E HN 0.783 nan 8.360 nan 0.000 0.459 639 I N 0.232 120.629 120.570 -0.289 0.000 2.286 639 I HA -0.141 4.037 4.170 0.012 0.000 0.248 639 I C 0.858 176.882 176.117 -0.155 0.000 1.115 639 I CA 1.088 62.183 61.300 -0.342 0.000 1.392 639 I CB -0.026 37.778 38.000 -0.326 0.000 1.065 639 I HN 0.126 nan 8.210 nan 0.000 0.418 640 G N 0.732 109.466 108.800 -0.109 0.000 3.233 640 G HA2 -0.103 3.864 3.960 0.012 0.000 0.686 640 G HA3 -0.103 3.864 3.960 0.012 0.000 0.686 640 G C -0.458 174.411 174.900 -0.051 0.000 1.153 640 G CA -0.340 44.733 45.100 -0.046 0.000 0.853 640 G HN 0.151 nan 8.290 nan 0.000 0.582 641 T N 0.824 115.358 114.554 -0.034 0.000 2.907 641 T HA 0.836 5.193 4.350 0.012 0.000 0.292 641 T C 0.067 174.774 174.700 0.011 0.000 1.043 641 T CA 0.169 62.259 62.100 -0.017 0.000 1.003 641 T CB 1.377 70.233 68.868 -0.020 0.000 1.084 641 T HN 1.683 nan 8.240 nan 0.000 0.483 642 N N 1.033 119.755 118.700 0.035 0.000 2.934 642 N HA 0.432 5.179 4.740 0.012 0.000 0.253 642 N C -0.141 175.421 175.510 0.086 0.000 1.466 642 N CA -1.057 52.028 53.050 0.058 0.000 0.858 642 N CB 1.016 39.542 38.487 0.065 0.000 1.459 642 N HN 0.416 nan 8.380 nan 0.000 0.532 643 R N -0.866 119.688 120.500 0.090 0.000 2.317 643 R HA 0.205 4.552 4.340 0.012 0.000 0.208 643 R C -0.243 176.136 176.300 0.132 0.000 0.914 643 R CA -0.008 56.158 56.100 0.111 0.000 1.060 643 R CB -0.106 30.248 30.300 0.091 0.000 1.015 643 R HN 0.571 nan 8.270 nan 0.000 0.498 644 T N 2.493 117.130 114.554 0.139 0.000 2.829 644 T HA 0.107 4.464 4.350 0.012 0.000 0.293 644 T C 0.471 175.289 174.700 0.197 0.000 0.970 644 T CA 0.293 62.483 62.100 0.150 0.000 1.168 644 T CB 0.617 69.577 68.868 0.152 0.000 0.911 644 T HN 0.074 nan 8.240 nan 0.000 0.535 645 L N 5.902 127.193 121.223 0.114 0.000 2.399 645 L HA 0.242 4.590 4.340 0.012 0.000 0.266 645 L C -1.186 175.609 176.870 -0.125 0.000 1.114 645 L CA -2.393 52.461 54.840 0.023 0.000 0.804 645 L CB 0.919 42.986 42.059 0.014 0.000 1.146 645 L HN 0.375 nan 8.230 nan 0.000 0.451 646 P HA -0.138 nan 4.420 nan 0.000 0.218 646 P C 0.614 177.756 177.300 -0.264 0.000 1.146 646 P CA 1.244 63.980 63.100 -0.607 0.000 0.813 646 P CB 0.160 31.301 31.700 -0.931 0.000 0.778 647 N N -1.204 117.387 118.700 -0.181 0.000 2.424 647 N HA -0.047 4.700 4.740 0.012 0.000 0.178 647 N C 0.890 176.373 175.510 -0.045 0.000 1.060 647 N CA 0.779 53.769 53.050 -0.099 0.000 0.901 647 N CB -0.409 38.029 38.487 -0.081 0.000 0.979 647 N HN 0.152 nan 8.380 nan 0.000 0.451 648 D N 0.166 120.551 120.400 -0.025 0.000 2.333 648 D HA 0.122 4.769 4.640 0.012 0.000 0.208 648 D C 0.655 176.969 176.300 0.024 0.000 0.984 648 D CA 0.240 54.248 54.000 0.012 0.000 0.873 648 D CB 0.424 41.245 40.800 0.035 0.000 0.935 648 D HN 0.143 nan 8.370 nan 0.000 0.521 649 A N 0.235 123.068 122.820 0.021 0.000 2.282 649 A HA 0.537 4.865 4.320 0.012 0.000 0.324 649 A C -0.147 177.438 177.584 0.002 0.000 1.119 649 A CA -0.085 51.980 52.037 0.047 0.000 0.880 649 A CB 0.414 19.487 19.000 0.122 0.000 1.294 649 A HN 0.088 nan 8.150 nan 0.000 0.493 650 D N -0.180 120.223 120.400 0.005 0.000 2.338 650 D HA 0.368 5.016 4.640 0.012 0.000 0.255 650 D C 0.741 176.987 176.300 -0.089 0.000 1.237 650 D CA 0.140 54.116 54.000 -0.039 0.000 0.883 650 D CB 0.260 41.033 40.800 -0.044 0.000 1.087 650 D HN 0.643 nan 8.370 nan 0.000 0.485 651 I N 2.118 122.612 120.570 -0.126 0.000 2.361 651 I HA 0.024 4.201 4.170 0.012 0.000 0.251 651 I C 2.623 178.499 176.117 -0.402 0.000 1.133 651 I CA 2.144 63.314 61.300 -0.216 0.000 1.413 651 I CB -0.009 37.900 38.000 -0.151 0.000 1.073 651 I HN 0.477 nan 8.210 nan 0.000 0.424 652 G N 0.179 108.777 108.800 -0.336 0.000 2.408 652 G HA2 -0.202 3.765 3.960 0.012 0.000 0.217 652 G HA3 -0.202 3.765 3.960 0.012 0.000 0.217 652 G C 1.534 176.197 174.900 -0.396 0.000 1.150 652 G CA 0.695 45.501 45.100 -0.490 0.000 0.776 652 G HN 0.265 nan 8.290 nan 0.000 0.542 653 M N 0.107 119.556 119.600 -0.251 0.000 2.200 653 M HA 0.149 4.636 4.480 0.012 0.000 0.265 653 M C 2.579 178.793 176.300 -0.143 0.000 1.066 653 M CA 0.725 55.884 55.300 -0.234 0.000 1.127 653 M CB -0.774 31.759 32.600 -0.112 0.000 1.379 653 M HN 0.209 nan 8.290 nan 0.000 0.420 654 I N 0.360 120.885 120.570 -0.076 0.000 2.179 654 I HA -0.257 3.921 4.170 0.012 0.000 0.242 654 I C 2.614 178.624 176.117 -0.179 0.000 1.088 654 I CA 1.426 62.726 61.300 0.001 0.000 1.357 654 I CB -0.583 37.362 38.000 -0.092 0.000 1.051 654 I HN 0.210 nan 8.210 nan 0.000 0.409 655 A N -0.098 122.471 122.820 -0.417 0.000 1.908 655 A HA -0.296 4.031 4.320 0.012 0.000 0.218 655 A C 2.323 179.800 177.584 -0.178 0.000 1.181 655 A CA 1.813 53.598 52.037 -0.419 0.000 0.627 655 A CB -1.122 17.338 19.000 -0.900 0.000 0.818 655 A HN 0.560 nan 8.150 nan 0.000 0.445 656 Y N -0.379 119.719 120.300 -0.337 0.000 2.114 656 Y HA -0.224 4.333 4.550 0.012 0.000 0.284 656 Y C 1.876 177.644 175.900 -0.219 0.000 1.143 656 Y CA 2.043 59.944 58.100 -0.331 0.000 1.135 656 Y CB -0.499 37.651 38.460 -0.518 0.000 0.980 656 Y HN 0.258 nan 8.280 nan 0.000 0.499 657 F N -0.946 118.999 119.950 -0.009 0.000 2.234 657 F HA -0.122 4.415 4.527 0.016 0.000 0.299 657 F C 2.186 177.956 175.800 -0.051 0.000 1.087 657 F CA 1.038 59.043 58.000 0.008 0.000 1.340 657 F CB -1.360 37.806 39.000 0.276 0.000 1.031 657 F HN 0.074 nan 8.300 nan 0.000 0.500 658 F N 0.246 120.156 119.950 -0.068 0.000 2.171 658 F HA -0.195 4.339 4.527 0.012 0.000 0.300 658 F C 2.486 178.108 175.800 -0.297 0.000 1.090 658 F CA 1.330 59.227 58.000 -0.172 0.000 1.293 658 F CB -0.176 38.860 39.000 0.060 0.000 1.013 658 F HN -0.010 nan 8.300 nan 0.000 0.486 659 E N 0.271 120.415 120.200 -0.094 0.000 2.170 659 E HA -0.167 4.190 4.350 0.012 0.000 0.191 659 E C 2.131 178.533 176.600 -0.330 0.000 0.981 659 E CA 0.452 56.743 56.400 -0.181 0.000 0.830 659 E CB 0.066 29.681 29.700 -0.141 0.000 0.775 659 E HN 0.203 nan 8.360 nan 0.000 0.470 660 K N -0.395 119.705 120.400 -0.499 0.000 2.057 660 K HA -0.163 4.164 4.320 0.012 0.000 0.207 660 K C 1.174 177.362 176.600 -0.686 0.000 1.049 660 K CA 1.394 57.300 56.287 -0.636 0.000 0.931 660 K CB -0.047 31.987 32.500 -0.778 0.000 0.714 660 K HN 0.185 nan 8.250 nan 0.000 0.440 661 Y N -0.125 119.867 120.300 -0.514 0.000 2.466 661 Y HA 0.232 4.791 4.550 0.014 0.000 0.272 661 Y C 1.003 176.556 175.900 -0.579 0.000 1.169 661 Y CA 0.345 58.051 58.100 -0.657 0.000 1.285 661 Y CB 0.524 38.382 38.460 -1.003 0.000 1.078 661 Y HN 0.270 nan 8.280 nan 0.000 0.523 662 G N 0.971 109.546 108.800 -0.375 0.000 2.371 662 G HA2 -0.315 3.653 3.960 0.012 0.000 0.299 662 G HA3 -0.315 3.653 3.960 0.012 0.000 0.299 662 G C -0.404 174.474 174.900 -0.036 0.000 1.014 662 G CA -0.327 44.671 45.100 -0.170 0.000 1.097 662 G HN 0.123 nan 8.290 nan 0.000 0.512 663 F N 0.239 120.137 119.950 -0.087 0.000 2.538 663 F HA 0.225 4.759 4.527 0.011 0.000 0.371 663 F C 1.399 177.165 175.800 -0.057 0.000 1.087 663 F CA -1.100 56.821 58.000 -0.131 0.000 1.250 663 F CB 0.670 39.431 39.000 -0.398 0.000 1.110 663 F HN 0.189 nan 8.300 nan 0.000 0.570 664 D N 1.424 121.932 120.400 0.181 0.000 2.350 664 D HA 0.208 4.855 4.640 0.012 0.000 0.213 664 D C 1.005 177.356 176.300 0.085 0.000 1.031 664 D CA 0.527 54.595 54.000 0.114 0.000 0.861 664 D CB 0.732 41.591 40.800 0.098 0.000 0.926 664 D HN 0.656 nan 8.370 nan 0.000 0.520 665 G N 0.401 109.234 108.800 0.056 0.000 2.489 665 G HA2 0.436 4.403 3.960 0.012 0.000 0.291 665 G HA3 0.436 4.403 3.960 0.012 0.000 0.291 665 G C -2.342 172.533 174.900 -0.043 0.000 1.487 665 G CA -0.695 44.429 45.100 0.039 0.000 0.795 665 G HN 0.039 nan 8.290 nan 0.000 0.513 666 L N 0.197 121.434 121.223 0.023 0.000 2.436 666 L HA 0.819 5.167 4.340 0.012 0.000 0.268 666 L C -1.115 175.780 176.870 0.041 0.000 0.974 666 L CA -0.733 54.105 54.840 -0.003 0.000 0.826 666 L CB 1.859 44.005 42.059 0.145 0.000 1.291 666 L HN 0.496 nan 8.230 nan 0.000 0.406 667 I N 5.742 126.313 120.570 0.002 0.000 2.355 667 I HA 0.368 4.546 4.170 0.012 0.000 0.288 667 I C -1.028 175.106 176.117 0.028 0.000 0.999 667 I CA -0.487 60.832 61.300 0.031 0.000 1.163 667 I CB 1.470 39.490 38.000 0.033 0.000 1.316 667 I HN 0.402 nan 8.210 nan 0.000 0.454 668 L N 7.521 128.779 121.223 0.058 0.000 2.275 668 L HA 0.470 4.817 4.340 0.012 0.000 0.288 668 L C -0.335 176.569 176.870 0.058 0.000 1.046 668 L CA -0.456 54.421 54.840 0.062 0.000 0.805 668 L CB 1.463 43.589 42.059 0.112 0.000 1.193 668 L HN 0.265 nan 8.230 nan 0.000 0.426 669 V N 2.869 122.808 119.914 0.042 0.000 2.326 669 V HA 0.961 5.088 4.120 0.012 0.000 0.281 669 V C 0.404 176.526 176.094 0.046 0.000 1.015 669 V CA -0.248 62.082 62.300 0.050 0.000 0.823 669 V CB 0.728 32.578 31.823 0.045 0.000 1.009 669 V HN 0.931 nan 8.190 nan 0.000 0.436 670 G N 2.805 111.642 108.800 0.060 0.000 2.313 670 G HA2 0.539 4.506 3.960 0.012 0.000 0.296 670 G HA3 0.539 4.506 3.960 0.012 0.000 0.296 670 G C -0.156 174.793 174.900 0.081 0.000 1.356 670 G CA 0.007 45.146 45.100 0.065 0.000 0.833 670 G HN 0.879 nan 8.290 nan 0.000 0.552 671 G N -0.988 107.867 108.800 0.092 0.000 2.580 671 G HA2 0.396 4.364 3.960 0.012 0.000 0.225 671 G HA3 0.396 4.364 3.960 0.012 0.000 0.225 671 G C 0.976 175.988 174.900 0.186 0.000 1.521 671 G CA 0.309 45.480 45.100 0.119 0.000 1.068 671 G HN 0.663 nan 8.290 nan 0.000 0.564 672 F N 0.913 120.910 119.950 0.078 0.000 2.202 672 F HA -0.097 4.437 4.527 0.012 0.000 0.301 672 F C 2.855 178.792 175.800 0.229 0.000 1.082 672 F CA 2.039 60.118 58.000 0.132 0.000 1.313 672 F CB 0.284 39.318 39.000 0.057 0.000 1.024 672 F HN 0.310 nan 8.300 nan 0.000 0.495 673 E N 0.204 120.589 120.200 0.307 0.000 2.106 673 E HA -0.169 4.188 4.350 0.012 0.000 0.192 673 E C 2.390 179.107 176.600 0.195 0.000 0.984 673 E CA 1.112 57.657 56.400 0.242 0.000 0.806 673 E CB -1.022 28.803 29.700 0.207 0.000 0.750 673 E HN 0.455 nan 8.360 nan 0.000 0.458 674 A N 0.849 123.783 122.820 0.191 0.000 2.015 674 A HA -0.098 4.229 4.320 0.012 0.000 0.219 674 A C 2.002 179.673 177.584 0.144 0.000 1.163 674 A CA 0.810 52.959 52.037 0.187 0.000 0.646 674 A CB -0.733 18.361 19.000 0.157 0.000 0.806 674 A HN 0.257 nan 8.150 nan 0.000 0.448 675 F N 0.530 120.439 119.950 -0.068 0.000 2.084 675 F HA -0.116 4.418 4.527 0.012 0.000 0.296 675 F C 1.917 177.638 175.800 -0.132 0.000 1.111 675 F CA 1.857 59.752 58.000 -0.176 0.000 1.224 675 F CB -0.165 38.563 39.000 -0.453 0.000 0.991 675 F HN 0.161 nan 8.300 nan 0.000 0.471 676 I N -0.151 120.393 120.570 -0.043 0.000 2.226 676 I HA -0.332 3.846 4.170 0.012 0.000 0.245 676 I C 2.467 178.552 176.117 -0.053 0.000 1.100 676 I CA 1.442 62.743 61.300 0.001 0.000 1.374 676 I CB -0.830 37.276 38.000 0.177 0.000 1.057 676 I HN 0.086 nan 8.210 nan 0.000 0.413 677 S N 0.856 116.537 115.700 -0.030 0.000 2.372 677 S HA -0.237 4.240 4.470 0.012 0.000 0.227 677 S C 2.027 176.538 174.600 -0.148 0.000 1.044 677 S CA 1.519 59.657 58.200 -0.104 0.000 1.050 677 S CB -0.554 62.714 63.200 0.113 0.000 0.901 677 S HN 0.379 nan 8.310 nan 0.000 0.447 678 L N 0.619 121.782 121.223 -0.101 0.000 1.989 678 L HA -0.240 4.107 4.340 0.012 0.000 0.211 678 L C 2.574 179.316 176.870 -0.214 0.000 1.071 678 L CA 2.367 57.135 54.840 -0.121 0.000 0.749 678 L CB -0.528 41.443 42.059 -0.146 0.000 0.890 678 L HN 0.504 nan 8.230 nan 0.000 0.431 679 H N -0.663 118.155 119.070 -0.420 0.000 2.352 679 H HA -0.222 4.341 4.556 0.012 0.000 0.299 679 H C 2.187 177.279 175.328 -0.393 0.000 1.097 679 H CA 2.083 57.816 56.048 -0.525 0.000 1.311 679 H CB -0.080 29.096 29.762 -0.978 0.000 1.377 679 H HN 0.393 nan 8.280 nan 0.000 0.504 680 Q N -0.080 119.320 119.800 -0.667 0.000 2.124 680 Q HA -0.086 4.261 4.340 0.012 0.000 0.202 680 Q C 2.513 178.275 176.000 -0.396 0.000 0.977 680 Q CA 1.558 57.028 55.803 -0.555 0.000 0.850 680 Q CB 0.070 28.602 28.738 -0.343 0.000 0.901 680 Q HN 0.524 nan 8.270 nan 0.000 0.429 681 L N 0.438 121.467 121.223 -0.324 0.000 2.109 681 L HA -0.139 4.209 4.340 0.012 0.000 0.207 681 L C 2.620 179.389 176.870 -0.169 0.000 1.086 681 L CA 0.770 55.472 54.840 -0.231 0.000 0.760 681 L CB -0.401 41.563 42.059 -0.159 0.000 0.910 681 L HN 0.242 nan 8.230 nan 0.000 0.437 682 E N 0.860 120.948 120.200 -0.188 0.000 2.051 682 E HA -0.219 4.139 4.350 0.012 0.000 0.192 682 E C 2.228 178.749 176.600 -0.133 0.000 0.991 682 E CA 1.257 57.577 56.400 -0.133 0.000 0.799 682 E CB 0.050 29.667 29.700 -0.137 0.000 0.748 682 E HN 0.291 nan 8.360 nan 0.000 0.449 683 R N -0.100 120.251 120.500 -0.249 0.000 2.189 683 R HA -0.005 4.343 4.340 0.012 0.000 0.223 683 R C 1.981 178.212 176.300 -0.116 0.000 1.092 683 R CA 0.894 56.874 56.100 -0.201 0.000 0.989 683 R CB -0.366 29.733 30.300 -0.336 0.000 0.876 683 R HN 0.173 nan 8.270 nan 0.000 0.457 684 A N 0.318 123.073 122.820 -0.108 0.000 2.208 684 A HA -0.004 4.324 4.320 0.012 0.000 0.209 684 A C 2.006 179.594 177.584 0.006 0.000 1.161 684 A CA 0.210 52.234 52.037 -0.022 0.000 0.782 684 A CB -0.148 18.879 19.000 0.046 0.000 0.816 684 A HN 0.081 nan 8.150 nan 0.000 0.477 685 R N 0.385 120.876 120.500 -0.016 0.000 2.117 685 R HA -0.212 4.135 4.340 0.012 0.000 0.243 685 R C 1.839 178.052 176.300 -0.144 0.000 1.143 685 R CA 2.066 58.113 56.100 -0.088 0.000 0.968 685 R CB -0.782 29.483 30.300 -0.059 0.000 0.863 685 R HN 0.803 nan 8.270 nan 0.000 0.444 686 I N -1.071 119.567 120.570 0.113 0.000 2.264 686 I HA -0.252 3.926 4.170 0.012 0.000 0.248 686 I C 1.488 177.582 176.117 -0.039 0.000 1.111 686 I CA 1.642 63.071 61.300 0.215 0.000 1.382 686 I CB -0.430 37.679 38.000 0.181 0.000 1.060 686 I HN 0.060 nan 8.210 nan 0.000 0.418 687 N N -0.038 118.523 118.700 -0.232 0.000 2.251 687 N HA -0.034 4.713 4.740 0.012 0.000 0.181 687 N C -0.209 174.911 175.510 -0.650 0.000 1.019 687 N CA 0.989 53.709 53.050 -0.550 0.000 0.862 687 N CB -0.032 37.896 38.487 -0.932 0.000 0.992 687 N HN 0.409 nan 8.380 nan 0.000 0.429 688 Y N 0.187 120.431 120.300 -0.093 0.000 2.345 688 Y HA 0.359 4.917 4.550 0.014 0.000 0.331 688 Y C -1.735 174.080 175.900 -0.143 0.000 0.959 688 Y CA -2.390 55.650 58.100 -0.101 0.000 1.204 688 Y CB 1.631 40.033 38.460 -0.097 0.000 1.135 688 Y HN -0.044 nan 8.280 nan 0.000 0.477 689 P HA -0.166 nan 4.420 nan 0.000 0.220 689 P C 1.357 178.656 177.300 -0.001 0.000 1.148 689 P CA 1.781 64.839 63.100 -0.070 0.000 0.803 689 P CB 0.232 31.913 31.700 -0.032 0.000 0.782 690 S N -0.427 115.312 115.700 0.066 0.000 2.440 690 S HA -0.128 4.349 4.470 0.012 0.000 0.238 690 S C 1.667 176.384 174.600 0.196 0.000 1.010 690 S CA 1.157 59.427 58.200 0.117 0.000 0.972 690 S CB -1.440 61.824 63.200 0.106 0.000 0.774 690 S HN 0.174 nan 8.310 nan 0.000 0.501 691 L N 0.002 121.292 121.223 0.112 0.000 2.567 691 L HA 0.235 4.583 4.340 0.012 0.000 0.225 691 L C 1.157 178.065 176.870 0.063 0.000 1.119 691 L CA 0.038 54.943 54.840 0.109 0.000 0.871 691 L CB -0.198 41.859 42.059 -0.003 0.000 1.036 691 L HN 0.070 nan 8.230 nan 0.000 0.459 692 R N 1.973 122.466 120.500 -0.012 0.000 4.576 692 R HA 0.257 4.604 4.340 0.012 0.000 0.185 692 R C -0.845 175.485 176.300 0.050 0.000 1.837 692 R CA 0.008 56.072 56.100 -0.059 0.000 1.520 692 R CB -0.719 29.467 30.300 -0.189 0.000 1.403 692 R HN 0.237 nan 8.270 nan 0.000 0.831 693 I N -3.537 117.089 120.570 0.094 0.000 2.994 693 I HA 0.510 4.687 4.170 0.012 0.000 0.306 693 I C -2.802 173.392 176.117 0.129 0.000 1.195 693 I CA -3.733 57.642 61.300 0.124 0.000 1.001 693 I CB 1.503 39.596 38.000 0.155 0.000 1.244 693 I HN -0.115 nan 8.210 nan 0.000 0.437 694 P HA 0.310 nan 4.420 nan 0.000 0.267 694 P C -1.168 176.240 177.300 0.179 0.000 1.209 694 P CA 0.278 63.486 63.100 0.179 0.000 0.763 694 P CB 0.282 32.096 31.700 0.191 0.000 0.816 695 L N 3.920 125.238 121.223 0.158 0.000 2.319 695 L HA 0.505 4.852 4.340 0.012 0.000 0.281 695 L C -0.409 176.502 176.870 0.067 0.000 1.005 695 L CA -0.875 54.040 54.840 0.126 0.000 0.828 695 L CB 1.770 43.897 42.059 0.112 0.000 1.227 695 L HN 0.056 nan 8.230 nan 0.000 0.415 696 V N 4.155 124.105 119.914 0.060 0.000 2.540 696 V HA 0.450 4.577 4.120 0.012 0.000 0.302 696 V C -0.477 175.638 176.094 0.034 0.000 1.035 696 V CA -0.606 61.699 62.300 0.008 0.000 0.873 696 V CB 2.389 34.227 31.823 0.026 0.000 0.992 696 V HN 0.486 nan 8.190 nan 0.000 0.428 697 L N 6.500 127.730 121.223 0.013 0.000 2.313 697 L HA 0.663 5.011 4.340 0.012 0.000 0.283 697 L C -0.600 176.274 176.870 0.006 0.000 1.013 697 L CA 0.131 54.991 54.840 0.035 0.000 0.816 697 L CB 1.228 43.324 42.059 0.061 0.000 1.236 697 L HN 0.580 nan 8.230 nan 0.000 0.419 698 I N 7.174 127.766 120.570 0.037 0.000 2.337 698 I HA 0.338 4.515 4.170 0.012 0.000 0.285 698 I C -2.097 174.063 176.117 0.071 0.000 1.041 698 I CA -1.850 59.480 61.300 0.050 0.000 1.199 698 I CB 0.995 39.073 38.000 0.130 0.000 1.370 698 I HN 0.476 nan 8.210 nan 0.000 0.470 699 P HA 0.050 nan 4.420 nan 0.000 0.263 699 P C -0.634 176.686 177.300 0.035 0.000 1.195 699 P CA 0.079 63.200 63.100 0.036 0.000 0.762 699 P CB 0.673 32.372 31.700 -0.001 0.000 0.799 700 A N 3.048 125.881 122.820 0.023 0.000 2.605 700 A HA 0.643 4.971 4.320 0.012 0.000 0.293 700 A C -0.510 177.066 177.584 -0.014 0.000 1.216 700 A CA -0.266 51.771 52.037 0.000 0.000 0.742 700 A CB 0.552 19.567 19.000 0.024 0.000 1.170 700 A HN 0.447 nan 8.150 nan 0.000 0.443 701 T N -0.024 114.494 114.554 -0.060 0.000 2.932 701 T HA 0.421 4.779 4.350 0.012 0.000 0.318 701 T C 0.736 175.372 174.700 -0.107 0.000 1.265 701 T CA -0.103 61.963 62.100 -0.056 0.000 1.036 701 T CB 1.044 69.888 68.868 -0.040 0.000 1.209 701 T HN 0.977 nan 8.240 nan 0.000 0.484 702 I N -0.439 120.083 120.570 -0.080 0.000 2.761 702 I HA 0.075 4.252 4.170 0.012 0.000 0.261 702 I C 1.957 178.010 176.117 -0.106 0.000 1.198 702 I CA 0.775 62.021 61.300 -0.089 0.000 1.482 702 I CB -0.682 37.279 38.000 -0.066 0.000 1.100 702 I HN 0.507 nan 8.210 nan 0.000 0.445 703 S N 0.984 116.622 115.700 -0.103 0.000 2.371 703 S HA -0.115 4.363 4.470 0.012 0.000 0.224 703 S C 1.106 175.601 174.600 -0.174 0.000 1.029 703 S CA 1.040 59.179 58.200 -0.101 0.000 0.978 703 S CB -0.643 62.520 63.200 -0.062 0.000 0.833 703 S HN 0.676 nan 8.310 nan 0.000 0.466 704 N N 1.888 120.445 118.700 -0.238 0.000 2.783 704 N HA -0.157 4.590 4.740 0.012 0.000 0.247 704 N C -0.002 175.450 175.510 -0.096 0.000 1.089 704 N CA 0.839 53.695 53.050 -0.323 0.000 0.690 704 N CB -2.111 35.867 38.487 -0.849 0.000 0.991 704 N HN 0.826 nan 8.380 nan 0.000 0.552 705 N N -2.222 116.468 118.700 -0.017 0.000 2.336 705 N HA 0.022 4.769 4.740 0.012 0.000 0.189 705 N C -0.028 175.546 175.510 0.107 0.000 1.113 705 N CA -0.149 52.935 53.050 0.056 0.000 0.858 705 N CB 0.414 38.895 38.487 -0.009 0.000 0.970 705 N HN 0.008 nan 8.380 nan 0.000 0.471 706 V N 3.368 123.312 119.914 0.049 0.000 2.408 706 V HA 0.246 4.374 4.120 0.012 0.000 0.267 706 V C -1.900 174.110 176.094 -0.141 0.000 1.047 706 V CA -1.537 60.710 62.300 -0.088 0.000 0.937 706 V CB 0.729 32.501 31.823 -0.085 0.000 0.999 706 V HN 0.135 nan 8.190 nan 0.000 0.472 707 P HA 0.383 nan 4.420 nan 0.000 0.275 707 P C 0.836 178.112 177.300 -0.040 0.000 1.228 707 P CA 0.724 63.754 63.100 -0.115 0.000 0.786 707 P CB 1.418 33.055 31.700 -0.105 0.000 0.927 708 G N 1.156 109.965 108.800 0.015 0.000 2.481 708 G HA2 -0.130 3.837 3.960 0.012 0.000 0.200 708 G HA3 -0.130 3.837 3.960 0.012 0.000 0.200 708 G C 0.078 174.960 174.900 -0.030 0.000 1.012 708 G CA 0.256 45.360 45.100 0.007 0.000 0.676 708 G HN 0.866 nan 8.290 nan 0.000 0.488 709 T N -1.420 113.122 114.554 -0.020 0.000 2.942 709 T HA 0.756 5.114 4.350 0.012 0.000 0.289 709 T C 0.326 175.028 174.700 0.003 0.000 1.044 709 T CA -0.056 62.028 62.100 -0.027 0.000 1.023 709 T CB 2.645 71.494 68.868 -0.031 0.000 1.123 709 T HN 0.073 nan 8.240 nan 0.000 0.512 710 E N -0.821 119.354 120.200 -0.042 0.000 2.473 710 E HA 0.148 4.505 4.350 0.012 0.000 0.204 710 E C -1.035 175.628 176.600 0.105 0.000 0.994 710 E CA -0.056 56.221 56.400 -0.206 0.000 0.945 710 E CB 0.597 29.957 29.700 -0.567 0.000 0.990 710 E HN 0.620 nan 8.360 nan 0.000 0.493 711 Y N 1.451 121.761 120.300 0.017 0.000 2.329 711 Y HA 0.203 4.760 4.550 0.012 0.000 0.328 711 Y C -0.762 175.176 175.900 0.063 0.000 0.992 711 Y CA -1.068 57.065 58.100 0.054 0.000 1.151 711 Y CB 1.242 39.783 38.460 0.134 0.000 1.150 711 Y HN -0.169 nan 8.280 nan 0.000 0.450 712 S N 5.821 121.121 115.700 -0.667 0.000 2.489 712 S HA 0.504 4.982 4.470 0.012 0.000 0.291 712 S C -0.932 173.266 174.600 -0.670 0.000 1.151 712 S CA -0.875 57.056 58.200 -0.448 0.000 1.082 712 S CB 1.388 64.404 63.200 -0.307 0.000 1.019 712 S HN 0.597 nan 8.310 nan 0.000 0.492 713 L N 3.205 124.308 121.223 -0.200 0.000 2.559 713 L HA 0.402 4.749 4.340 0.012 0.000 0.274 713 L C 1.553 178.363 176.870 -0.100 0.000 1.205 713 L CA 2.116 56.928 54.840 -0.046 0.000 0.907 713 L CB -0.214 41.886 42.059 0.067 0.000 1.153 713 L HN 1.242 nan 8.230 nan 0.000 0.490 714 G N 1.551 110.325 108.800 -0.043 0.000 2.213 714 G HA2 -0.337 3.630 3.960 0.012 0.000 0.236 714 G HA3 -0.337 3.630 3.960 0.012 0.000 0.236 714 G C 1.153 176.025 174.900 -0.046 0.000 0.991 714 G CA 0.939 46.020 45.100 -0.032 0.000 0.629 714 G HN 0.809 nan 8.290 nan 0.000 0.517 715 S N 0.257 115.869 115.700 -0.147 0.000 2.383 715 S HA -0.033 4.445 4.470 0.012 0.000 0.227 715 S C 1.645 176.304 174.600 0.098 0.000 1.026 715 S CA 1.944 60.090 58.200 -0.089 0.000 0.981 715 S CB -0.176 62.855 63.200 -0.282 0.000 0.818 715 S HN 0.391 nan 8.310 nan 0.000 0.472 716 D N 1.143 121.676 120.400 0.222 0.000 2.144 716 D HA -0.036 4.612 4.640 0.012 0.000 0.200 716 D C 1.914 178.294 176.300 0.132 0.000 0.978 716 D CA 1.663 55.801 54.000 0.229 0.000 0.833 716 D CB -0.343 40.596 40.800 0.232 0.000 0.961 716 D HN 0.484 nan 8.370 nan 0.000 0.470 717 T N -0.835 113.775 114.554 0.093 0.000 2.708 717 T HA -0.211 4.147 4.350 0.012 0.000 0.266 717 T C 2.185 176.919 174.700 0.057 0.000 1.037 717 T CA 1.275 63.408 62.100 0.056 0.000 1.146 717 T CB -0.842 68.042 68.868 0.027 0.000 0.865 717 T HN 0.369 nan 8.240 nan 0.000 0.435 718 C N 1.122 120.450 119.300 0.047 0.000 2.436 718 C HA 0.028 4.495 4.460 0.012 0.000 0.277 718 C C 2.591 177.636 174.990 0.092 0.000 1.241 718 C CA 0.401 59.443 59.018 0.039 0.000 1.721 718 C CB -1.533 26.203 27.740 -0.005 0.000 2.043 718 C HN 0.558 nan 8.230 nan 0.000 0.472 719 L N 1.073 122.363 121.223 0.111 0.000 2.013 719 L HA -0.188 4.159 4.340 0.012 0.000 0.212 719 L C 2.607 179.576 176.870 0.164 0.000 1.073 719 L CA 2.093 57.025 54.840 0.152 0.000 0.753 719 L CB -0.799 41.348 42.059 0.147 0.000 0.890 719 L HN 0.546 nan 8.230 nan 0.000 0.432 720 N N -0.676 118.102 118.700 0.131 0.000 2.188 720 N HA -0.165 4.582 4.740 0.012 0.000 0.184 720 N C 2.018 177.590 175.510 0.104 0.000 1.018 720 N CA 1.685 54.800 53.050 0.109 0.000 0.858 720 N CB 0.024 38.566 38.487 0.092 0.000 0.989 720 N HN 0.429 nan 8.380 nan 0.000 0.426 721 S N 0.038 115.805 115.700 0.111 0.000 2.368 721 S HA -0.104 4.373 4.470 0.012 0.000 0.224 721 S C 1.991 176.693 174.600 0.170 0.000 1.029 721 S CA 0.485 58.752 58.200 0.111 0.000 0.988 721 S CB -0.822 62.427 63.200 0.081 0.000 0.838 721 S HN 0.372 nan 8.310 nan 0.000 0.462 722 F N 1.458 121.425 119.950 0.027 0.000 2.186 722 F HA 0.101 4.635 4.527 0.012 0.000 0.299 722 F C 2.539 178.394 175.800 0.091 0.000 1.090 722 F CA 1.465 59.489 58.000 0.040 0.000 1.307 722 F CB -0.182 38.813 39.000 -0.008 0.000 1.019 722 F HN 0.209 nan 8.300 nan 0.000 0.489 723 M N 0.068 119.699 119.600 0.051 0.000 2.159 723 M HA -0.201 4.286 4.480 0.012 0.000 0.263 723 M C 1.931 178.197 176.300 -0.058 0.000 1.063 723 M CA 1.752 57.029 55.300 -0.038 0.000 1.110 723 M CB -0.286 32.338 32.600 0.041 0.000 1.374 723 M HN 0.094 nan 8.290 nan 0.000 0.411 724 E N -0.575 119.626 120.200 0.003 0.000 2.106 724 E HA -0.211 4.147 4.350 0.012 0.000 0.192 724 E C 1.732 178.319 176.600 -0.021 0.000 0.984 724 E CA 1.293 57.693 56.400 0.000 0.000 0.806 724 E CB -0.549 29.173 29.700 0.036 0.000 0.750 724 E HN 0.689 nan 8.360 nan 0.000 0.458 725 Y N 0.780 120.993 120.300 -0.144 0.000 2.163 725 Y HA -0.241 4.316 4.550 0.012 0.000 0.288 725 Y C 2.519 178.251 175.900 -0.279 0.000 1.136 725 Y CA 1.590 59.582 58.100 -0.179 0.000 1.147 725 Y CB -0.300 38.074 38.460 -0.143 0.000 0.987 725 Y HN 0.008 nan 8.280 nan 0.000 0.509 726 C N 0.623 119.743 119.300 -0.300 0.000 2.422 726 C HA -0.159 4.308 4.460 0.012 0.000 0.279 726 C C 2.321 177.142 174.990 -0.283 0.000 1.305 726 C CA 1.114 59.909 59.018 -0.371 0.000 1.757 726 C CB -1.008 26.460 27.740 -0.452 0.000 1.962 726 C HN 0.612 nan 8.230 nan 0.000 0.499 727 D N 0.805 121.080 120.400 -0.210 0.000 2.097 727 D HA -0.108 4.540 4.640 0.012 0.000 0.195 727 D C 2.188 178.378 176.300 -0.182 0.000 0.989 727 D CA 1.206 55.116 54.000 -0.150 0.000 0.827 727 D CB -0.522 40.221 40.800 -0.096 0.000 0.966 727 D HN 0.283 nan 8.370 nan 0.000 0.456 728 V N 0.852 120.627 119.914 -0.233 0.000 2.407 728 V HA -0.217 3.910 4.120 0.012 0.000 0.248 728 V C 2.426 178.309 176.094 -0.352 0.000 1.055 728 V CA 1.041 63.187 62.300 -0.257 0.000 1.049 728 V CB -0.313 31.350 31.823 -0.267 0.000 0.662 728 V HN 0.090 nan 8.190 nan 0.000 0.455 729 I N -0.234 120.031 120.570 -0.509 0.000 2.252 729 I HA -0.190 3.987 4.170 0.012 0.000 0.245 729 I C 2.450 178.278 176.117 -0.482 0.000 1.102 729 I CA 1.649 62.532 61.300 -0.695 0.000 1.385 729 I CB -0.417 37.071 38.000 -0.853 0.000 1.064 729 I HN 0.183 nan 8.210 nan 0.000 0.414 730 K N 0.018 120.263 120.400 -0.257 0.000 2.097 730 K HA -0.245 4.082 4.320 0.012 0.000 0.205 730 K C 2.203 178.775 176.600 -0.046 0.000 1.050 730 K CA 1.392 57.626 56.287 -0.087 0.000 0.938 730 K CB -0.087 32.374 32.500 -0.066 0.000 0.718 730 K HN 0.330 nan 8.250 nan 0.000 0.442 731 Q N -0.037 119.710 119.800 -0.088 0.000 2.084 731 Q HA -0.169 4.179 4.340 0.012 0.000 0.202 731 Q C 2.029 178.011 176.000 -0.030 0.000 0.978 731 Q CA 1.892 57.664 55.803 -0.050 0.000 0.844 731 Q CB -0.125 28.571 28.738 -0.069 0.000 0.898 731 Q HN 0.262 nan 8.270 nan 0.000 0.426 732 S N -0.586 115.069 115.700 -0.074 0.000 2.383 732 S HA -0.111 4.367 4.470 0.012 0.000 0.227 732 S C 1.910 176.590 174.600 0.134 0.000 1.026 732 S CA 1.092 59.284 58.200 -0.014 0.000 0.981 732 S CB -0.306 62.826 63.200 -0.114 0.000 0.818 732 S HN 0.535 nan 8.310 nan 0.000 0.472 733 A N 1.237 124.180 122.820 0.206 0.000 1.930 733 A HA 0.276 4.603 4.320 0.012 0.000 0.217 733 A C 2.449 180.135 177.584 0.170 0.000 1.175 733 A CA 1.671 53.898 52.037 0.317 0.000 0.627 733 A CB -1.301 17.934 19.000 0.391 0.000 0.815 733 A HN 0.781 nan 8.150 nan 0.000 0.443 734 A N -0.277 122.612 122.820 0.114 0.000 2.019 734 A HA 0.207 4.535 4.320 0.012 0.000 0.219 734 A C 2.382 180.006 177.584 0.068 0.000 1.164 734 A CA 1.841 53.928 52.037 0.085 0.000 0.644 734 A CB -0.725 18.310 19.000 0.058 0.000 0.805 734 A HN 0.968 nan 8.150 nan 0.000 0.449 735 A N -0.578 122.278 122.820 0.060 0.000 1.970 735 A HA 0.210 4.537 4.320 0.012 0.000 0.216 735 A C 1.638 179.250 177.584 0.045 0.000 1.170 735 A CA 1.648 53.712 52.037 0.045 0.000 0.645 735 A CB -0.729 18.293 19.000 0.036 0.000 0.816 735 A HN 0.596 nan 8.150 nan 0.000 0.447 739 R N 0.940 121.233 120.500 -0.346 0.000 2.668 739 R HA 0.675 5.022 4.340 0.012 0.000 0.272 739 R C -1.698 174.625 176.300 0.039 0.000 1.019 739 R CA -0.573 55.421 56.100 -0.177 0.000 0.894 739 R CB 1.604 31.829 30.300 -0.125 0.000 1.228 739 R HN -0.011 nan 8.270 nan 0.000 0.460 740 V N 1.830 121.767 119.914 0.039 0.000 2.919 740 V HA 0.659 4.787 4.120 0.012 0.000 0.316 740 V C -0.890 175.153 176.094 -0.085 0.000 1.077 740 V CA -0.856 61.536 62.300 0.155 0.000 0.977 740 V CB 1.811 33.788 31.823 0.258 0.000 1.039 740 V HN 0.566 nan 8.190 nan 0.000 0.441 741 F N 0.698 120.715 119.950 0.112 0.000 2.493 741 F HA 0.625 5.160 4.527 0.013 0.000 0.329 741 F C -0.085 175.777 175.800 0.103 0.000 1.126 741 F CA -0.738 57.315 58.000 0.088 0.000 0.937 741 F CB 2.221 41.251 39.000 0.050 0.000 1.146 741 F HN 0.209 nan 8.300 nan 0.000 0.442 742 V N 5.112 125.185 119.914 0.266 0.000 2.334 742 V HA 0.284 4.412 4.120 0.012 0.000 0.267 742 V C -0.361 175.891 176.094 0.264 0.000 1.040 742 V CA -0.718 61.721 62.300 0.232 0.000 0.866 742 V CB 0.907 32.841 31.823 0.185 0.000 1.019 742 V HN 0.454 nan 8.190 nan 0.000 0.468 743 V N 4.442 124.515 119.914 0.264 0.000 2.348 743 V HA 0.270 4.398 4.120 0.012 0.000 0.270 743 V C 0.412 176.675 176.094 0.282 0.000 1.037 743 V CA -0.608 61.871 62.300 0.299 0.000 0.872 743 V CB 1.118 33.117 31.823 0.295 0.000 1.002 743 V HN 0.957 nan 8.190 nan 0.000 0.464 744 E N 4.196 124.525 120.200 0.215 0.000 2.366 744 E HA 0.310 4.667 4.350 0.012 0.000 0.266 744 E C -0.724 175.901 176.600 0.042 0.000 1.015 744 E CA -0.240 56.229 56.400 0.115 0.000 0.906 744 E CB 0.910 30.650 29.700 0.066 0.000 0.979 744 E HN 0.565 nan 8.360 nan 0.000 0.443 745 V N 4.387 124.262 119.914 -0.064 0.000 2.630 745 V HA 0.207 4.334 4.120 0.012 0.000 0.305 745 V C 0.645 176.546 176.094 -0.323 0.000 1.046 745 V CA -0.854 61.244 62.300 -0.338 0.000 0.934 745 V CB 1.477 33.115 31.823 -0.308 0.000 1.003 745 V HN 0.798 nan 8.190 nan 0.000 0.451 746 Q N 1.387 120.921 119.800 -0.443 0.000 2.442 746 Q HA 0.396 4.744 4.340 0.012 0.000 0.175 746 Q C 1.437 177.294 176.000 -0.239 0.000 1.096 746 Q CA 0.628 56.216 55.803 -0.359 0.000 1.009 746 Q CB 0.231 28.729 28.738 -0.400 0.000 2.678 746 Q HN 1.216 nan 8.270 nan 0.000 0.509 747 G N -1.103 107.592 108.800 -0.176 0.000 2.179 747 G HA2 -0.271 3.697 3.960 0.012 0.000 0.260 747 G HA3 -0.271 3.697 3.960 0.012 0.000 0.260 747 G C 0.640 175.500 174.900 -0.067 0.000 0.977 747 G CA 0.423 45.457 45.100 -0.110 0.000 0.641 747 G HN 1.204 nan 8.290 nan 0.000 0.533 748 G N 0.561 109.326 108.800 -0.058 0.000 2.591 748 G HA2 -0.399 3.569 3.960 0.012 0.000 0.298 748 G HA3 -0.399 3.569 3.960 0.012 0.000 0.298 748 G C 0.821 175.706 174.900 -0.025 0.000 1.195 748 G CA 0.872 45.955 45.100 -0.029 0.000 0.989 748 G HN 1.060 nan 8.290 nan 0.000 0.551 749 N N 1.280 119.961 118.700 -0.032 0.000 2.461 749 N HA 0.138 4.885 4.740 0.012 0.000 0.188 749 N C 0.860 176.382 175.510 0.019 0.000 1.134 749 N CA 1.118 54.155 53.050 -0.022 0.000 0.878 749 N CB 0.234 38.686 38.487 -0.058 0.000 0.972 749 N HN 0.552 nan 8.380 nan 0.000 0.456 750 S N -0.676 115.042 115.700 0.030 0.000 2.438 750 S HA 0.448 4.926 4.470 0.012 0.000 0.293 750 S C 1.106 175.759 174.600 0.088 0.000 1.141 750 S CA -0.787 57.481 58.200 0.113 0.000 1.080 750 S CB 1.065 64.307 63.200 0.070 0.000 0.978 750 S HN 0.263 nan 8.310 nan 0.000 0.479 751 G N 3.508 112.438 108.800 0.217 0.000 3.233 751 G HA2 0.020 3.987 3.960 0.012 0.000 0.227 751 G HA3 0.020 3.987 3.960 0.012 0.000 0.227 751 G C 0.709 175.485 174.900 -0.207 0.000 1.175 751 G CA -0.122 45.044 45.100 0.109 0.000 0.781 751 G HN 0.855 nan 8.290 nan 0.000 0.542 752 Y N 1.458 121.310 120.300 -0.746 0.000 2.128 752 Y HA -0.202 4.356 4.550 0.012 0.000 0.284 752 Y C 2.332 177.925 175.900 -0.513 0.000 1.154 752 Y CA 2.018 59.329 58.100 -1.314 0.000 1.149 752 Y CB -0.052 37.578 38.460 -1.382 0.000 0.976 752 Y HN 0.230 nan 8.280 nan 0.000 0.505 753 I N 0.719 121.151 120.570 -0.231 0.000 2.252 753 I HA -0.096 4.082 4.170 0.012 0.000 0.245 753 I C 2.241 178.252 176.117 -0.176 0.000 1.102 753 I CA 1.970 63.159 61.300 -0.185 0.000 1.385 753 I CB -0.861 37.072 38.000 -0.113 0.000 1.064 753 I HN 0.193 nan 8.210 nan 0.000 0.414 754 A N -0.204 122.514 122.820 -0.171 0.000 1.969 754 A HA -0.133 4.195 4.320 0.012 0.000 0.218 754 A C 2.311 179.827 177.584 -0.112 0.000 1.169 754 A CA 2.177 54.168 52.037 -0.076 0.000 0.635 754 A CB -1.426 17.545 19.000 -0.048 0.000 0.810 754 A HN 0.517 nan 8.150 nan 0.000 0.445 755 T N -0.643 113.764 114.554 -0.246 0.000 2.674 755 T HA -0.153 4.204 4.350 0.012 0.000 0.265 755 T C 1.785 176.215 174.700 -0.450 0.000 1.039 755 T CA 2.136 64.025 62.100 -0.352 0.000 1.150 755 T CB -0.406 68.152 68.868 -0.517 0.000 0.864 755 T HN 0.737 nan 8.240 nan 0.000 0.427 756 H N 0.645 119.477 119.070 -0.396 0.000 2.395 756 H HA 0.302 4.866 4.556 0.013 0.000 0.299 756 H C 2.353 177.591 175.328 -0.149 0.000 1.070 756 H CA 1.093 56.949 56.048 -0.320 0.000 1.356 756 H CB -0.322 29.147 29.762 -0.489 0.000 1.401 756 H HN 0.367 nan 8.280 nan 0.000 0.524 757 A N 0.577 123.411 122.820 0.023 0.000 1.969 757 A HA -0.211 4.116 4.320 0.012 0.000 0.218 757 A C 2.211 179.807 177.584 0.021 0.000 1.169 757 A CA 1.541 53.644 52.037 0.110 0.000 0.635 757 A CB -0.431 18.790 19.000 0.367 0.000 0.810 757 A HN 0.492 nan 8.150 nan 0.000 0.445 758 Q N -0.817 118.965 119.800 -0.030 0.000 2.050 758 Q HA -0.174 4.174 4.340 0.012 0.000 0.202 758 Q C 2.034 177.981 176.000 -0.089 0.000 0.980 758 Q CA 1.702 57.467 55.803 -0.063 0.000 0.840 758 Q CB -0.207 28.476 28.738 -0.092 0.000 0.898 758 Q HN 0.556 nan 8.270 nan 0.000 0.424 759 L N 0.614 121.763 121.223 -0.125 0.000 1.994 759 L HA -0.091 4.257 4.340 0.012 0.000 0.208 759 L C 2.279 179.097 176.870 -0.086 0.000 1.071 759 L CA 2.229 56.991 54.840 -0.131 0.000 0.745 759 L CB -0.711 41.236 42.059 -0.186 0.000 0.892 759 L HN 0.232 nan 8.230 nan 0.000 0.431 760 A N -1.907 120.881 122.820 -0.053 0.000 2.015 760 A HA -0.184 4.143 4.320 0.012 0.000 0.219 760 A C 2.140 179.707 177.584 -0.027 0.000 1.163 760 A CA 1.729 53.753 52.037 -0.022 0.000 0.646 760 A CB -1.108 17.902 19.000 0.016 0.000 0.806 760 A HN 0.646 nan 8.150 nan 0.000 0.448 761 C N -2.201 117.073 119.300 -0.043 0.000 2.865 761 C HA 0.500 4.967 4.460 0.012 0.000 0.280 761 C C 1.738 176.698 174.990 -0.051 0.000 1.255 761 C CA 0.006 58.991 59.018 -0.055 0.000 1.705 761 C CB -0.594 27.094 27.740 -0.087 0.000 2.080 761 C HN 1.109 nan 8.230 nan 0.000 0.591 762 G N 1.487 110.254 108.800 -0.055 0.000 2.248 762 G HA2 0.051 4.018 3.960 0.012 0.000 0.263 762 G HA3 0.051 4.018 3.960 0.012 0.000 0.263 762 G C 0.004 174.874 174.900 -0.049 0.000 1.082 762 G CA 0.215 45.281 45.100 -0.056 0.000 0.863 762 G HN 0.919 nan 8.290 nan 0.000 0.495 763 A N -0.796 121.992 122.820 -0.052 0.000 2.388 763 A HA 0.674 5.002 4.320 0.012 0.000 0.257 763 A C 1.285 178.832 177.584 -0.061 0.000 1.095 763 A CA 0.756 52.766 52.037 -0.045 0.000 0.791 763 A CB 0.485 19.464 19.000 -0.036 0.000 1.029 763 A HN 0.433 nan 8.150 nan 0.000 0.489 764 Q N 0.371 120.133 119.800 -0.063 0.000 2.123 764 Q HA 0.151 4.499 4.340 0.012 0.000 0.199 764 Q C -0.311 175.621 176.000 -0.113 0.000 0.966 764 Q CA 1.544 57.297 55.803 -0.083 0.000 0.845 764 Q CB -0.156 28.524 28.738 -0.096 0.000 0.907 764 Q HN 0.750 nan 8.270 nan 0.000 0.439 765 I N -1.191 119.290 120.570 -0.149 0.000 2.894 765 I HA 0.338 4.516 4.170 0.012 0.000 0.302 765 I C -1.121 174.835 176.117 -0.268 0.000 1.188 765 I CA -0.769 60.372 61.300 -0.265 0.000 1.014 765 I CB 2.604 40.344 38.000 -0.432 0.000 1.242 765 I HN -0.174 nan 8.210 nan 0.000 0.430 766 S N 3.297 118.818 115.700 -0.298 0.000 2.733 766 S HA 0.602 5.079 4.470 0.012 0.000 0.294 766 S C -1.558 172.934 174.600 -0.179 0.000 1.149 766 S CA -0.655 57.437 58.200 -0.180 0.000 1.034 766 S CB 0.630 63.779 63.200 -0.086 0.000 1.015 766 S HN 0.357 nan 8.310 nan 0.000 0.486 767 Y N 2.408 122.726 120.300 0.029 0.000 2.367 767 Y HA 0.579 5.137 4.550 0.012 0.000 0.342 767 Y C 0.236 176.149 175.900 0.023 0.000 0.979 767 Y CA -0.889 57.227 58.100 0.026 0.000 1.161 767 Y CB 1.251 39.729 38.460 0.030 0.000 1.155 767 Y HN 0.607 nan 8.280 nan 0.000 0.503 768 V N 6.720 126.749 119.914 0.191 0.000 2.667 768 V HA 0.300 4.428 4.120 0.012 0.000 0.308 768 V C -1.793 174.364 176.094 0.105 0.000 1.048 768 V CA -2.182 60.194 62.300 0.127 0.000 0.928 768 V CB 2.413 34.313 31.823 0.130 0.000 1.004 768 V HN 0.510 nan 8.190 nan 0.000 0.444 769 P HA -0.059 nan 4.420 nan 0.000 0.222 769 P C 0.942 178.270 177.300 0.047 0.000 1.147 769 P CA 0.826 63.958 63.100 0.054 0.000 0.790 769 P CB 0.427 32.151 31.700 0.040 0.000 0.780 770 E N -0.275 119.964 120.200 0.065 0.000 2.152 770 E HA -0.134 4.223 4.350 0.012 0.000 0.192 770 E C 1.757 178.372 176.600 0.026 0.000 0.983 770 E CA 1.049 57.471 56.400 0.036 0.000 0.818 770 E CB -0.355 29.365 29.700 0.034 0.000 0.758 770 E HN 0.436 nan 8.360 nan 0.000 0.467 771 E N -0.465 119.763 120.200 0.047 0.000 2.201 771 E HA 0.219 4.577 4.350 0.012 0.000 0.193 771 E C 0.957 177.582 176.600 0.041 0.000 0.957 771 E CA 0.308 56.735 56.400 0.045 0.000 0.858 771 E CB 0.410 30.153 29.700 0.071 0.000 0.816 771 E HN 0.194 nan 8.360 nan 0.000 0.475 772 G N 1.472 110.301 108.800 0.048 0.000 2.681 772 G HA2 -0.242 3.726 3.960 0.012 0.000 0.220 772 G HA3 -0.242 3.726 3.960 0.012 0.000 0.220 772 G C -0.577 174.329 174.900 0.008 0.000 1.353 772 G CA -0.397 44.714 45.100 0.018 0.000 0.872 772 G HN 0.142 nan 8.290 nan 0.000 0.557 773 I N 1.258 121.785 120.570 -0.072 0.000 2.468 773 I HA 0.472 4.650 4.170 0.012 0.000 0.284 773 I C 0.580 176.628 176.117 -0.115 0.000 1.038 773 I CA -0.318 60.874 61.300 -0.180 0.000 1.083 773 I CB 1.843 39.570 38.000 -0.456 0.000 1.223 773 I HN 0.852 nan 8.210 nan 0.000 0.443 774 S N 6.019 121.685 115.700 -0.057 0.000 2.610 774 S HA 0.491 4.968 4.470 0.012 0.000 0.273 774 S C 1.034 175.612 174.600 -0.036 0.000 1.274 774 S CA -0.768 57.413 58.200 -0.032 0.000 1.023 774 S CB 1.457 64.657 63.200 -0.001 0.000 0.962 774 S HN 0.630 nan 8.310 nan 0.000 0.523 775 L N 1.719 122.926 121.223 -0.026 0.000 2.093 775 L HA -0.055 4.293 4.340 0.012 0.000 0.208 775 L C 3.034 179.905 176.870 0.001 0.000 1.085 775 L CA 1.548 56.377 54.840 -0.019 0.000 0.755 775 L CB -1.209 40.841 42.059 -0.015 0.000 0.904 775 L HN 0.946 nan 8.230 nan 0.000 0.435 776 A N -0.244 122.580 122.820 0.007 0.000 1.877 776 A HA -0.284 4.043 4.320 0.012 0.000 0.216 776 A C 2.213 179.817 177.584 0.033 0.000 1.186 776 A CA 1.867 53.914 52.037 0.017 0.000 0.620 776 A CB -0.509 18.499 19.000 0.013 0.000 0.822 776 A HN 0.366 nan 8.150 nan 0.000 0.443 777 Q N -0.791 119.036 119.800 0.044 0.000 2.119 777 Q HA -0.103 4.245 4.340 0.012 0.000 0.201 777 Q C 1.857 177.926 176.000 0.115 0.000 0.972 777 Q CA 1.592 57.446 55.803 0.084 0.000 0.847 777 Q CB -0.451 28.358 28.738 0.118 0.000 0.903 777 Q HN 0.530 nan 8.270 nan 0.000 0.433 778 L N 0.412 121.680 121.223 0.076 0.000 2.046 778 L HA -0.133 4.214 4.340 0.012 0.000 0.208 778 L C 2.123 179.046 176.870 0.088 0.000 1.077 778 L CA 2.272 57.164 54.840 0.086 0.000 0.747 778 L CB -0.662 41.390 42.059 -0.010 0.000 0.896 778 L HN 0.295 nan 8.230 nan 0.000 0.432 779 E N -0.671 119.563 120.200 0.056 0.000 2.051 779 E HA -0.295 4.062 4.350 0.012 0.000 0.192 779 E C 2.186 178.822 176.600 0.060 0.000 0.991 779 E CA 1.970 58.402 56.400 0.052 0.000 0.799 779 E CB -0.370 29.350 29.700 0.032 0.000 0.748 779 E HN 0.454 nan 8.360 nan 0.000 0.449 780 M N 0.584 120.217 119.600 0.054 0.000 2.065 780 M HA -0.177 4.310 4.480 0.012 0.000 0.259 780 M C 1.295 177.626 176.300 0.052 0.000 1.069 780 M CA 2.129 57.456 55.300 0.045 0.000 1.110 780 M CB -0.237 32.385 32.600 0.037 0.000 1.328 780 M HN 0.064 nan 8.290 nan 0.000 0.405 781 D N -0.101 120.346 120.400 0.079 0.000 2.144 781 D HA -0.128 4.520 4.640 0.012 0.000 0.199 781 D C 2.019 178.374 176.300 0.091 0.000 0.984 781 D CA 1.540 55.588 54.000 0.080 0.000 0.834 781 D CB -0.410 40.474 40.800 0.141 0.000 0.955 781 D HN 0.449 nan 8.370 nan 0.000 0.465 782 I N 1.169 121.813 120.570 0.123 0.000 2.226 782 I HA -0.236 3.941 4.170 0.012 0.000 0.245 782 I C 1.931 178.141 176.117 0.155 0.000 1.100 782 I CA 0.775 62.173 61.300 0.163 0.000 1.374 782 I CB -0.175 37.918 38.000 0.155 0.000 1.057 782 I HN -0.064 nan 8.210 nan 0.000 0.413 783 N N 0.067 118.826 118.700 0.099 0.000 2.289 783 N HA -0.173 4.574 4.740 0.012 0.000 0.184 783 N C 1.976 177.508 175.510 0.036 0.000 1.016 783 N CA 1.375 54.472 53.050 0.077 0.000 0.872 783 N CB -0.338 38.178 38.487 0.049 0.000 0.973 783 N HN 0.273 nan 8.380 nan 0.000 0.433 784 S N 0.657 116.360 115.700 0.006 0.000 2.348 784 S HA -0.045 4.432 4.470 0.012 0.000 0.221 784 S C 1.921 176.447 174.600 -0.123 0.000 1.033 784 S CA 0.611 58.777 58.200 -0.057 0.000 1.010 784 S CB -0.166 63.000 63.200 -0.057 0.000 0.891 784 S HN 0.063 nan 8.310 nan 0.000 0.442 785 L N 1.687 122.843 121.223 -0.112 0.000 2.012 785 L HA -0.055 4.292 4.340 0.012 0.000 0.210 785 L C 2.490 179.163 176.870 -0.327 0.000 1.073 785 L CA 1.855 56.526 54.840 -0.281 0.000 0.748 785 L CB -0.758 41.274 42.059 -0.045 0.000 0.891 785 L HN 0.259 nan 8.230 nan 0.000 0.431 786 K N -0.717 119.695 120.400 0.020 0.000 2.044 786 K HA -0.232 4.096 4.320 0.012 0.000 0.210 786 K C 2.112 178.743 176.600 0.053 0.000 1.049 786 K CA 1.900 58.311 56.287 0.206 0.000 0.927 786 K CB -0.176 32.480 32.500 0.261 0.000 0.713 786 K HN 0.376 nan 8.250 nan 0.000 0.443 787 E N -0.144 120.037 120.200 -0.032 0.000 2.072 787 E HA -0.101 4.257 4.350 0.012 0.000 0.190 787 E C 2.135 178.650 176.600 -0.142 0.000 0.982 787 E CA 0.883 57.243 56.400 -0.066 0.000 0.803 787 E CB 0.118 29.775 29.700 -0.072 0.000 0.755 787 E HN 0.163 nan 8.360 nan 0.000 0.453 788 S N 0.537 116.076 115.700 -0.269 0.000 2.359 788 S HA -0.167 4.311 4.470 0.012 0.000 0.223 788 S C 1.631 175.981 174.600 -0.416 0.000 1.039 788 S CA 1.254 59.211 58.200 -0.405 0.000 1.042 788 S CB -0.303 62.527 63.200 -0.616 0.000 0.915 788 S HN 0.203 nan 8.310 nan 0.000 0.439 789 F N 1.536 121.352 119.950 -0.225 0.000 2.234 789 F HA 0.096 4.630 4.527 0.012 0.000 0.299 789 F C 2.431 178.176 175.800 -0.091 0.000 1.087 789 F CA 0.411 58.300 58.000 -0.186 0.000 1.340 789 F CB -0.856 37.967 39.000 -0.295 0.000 1.031 789 F HN 0.178 nan 8.300 nan 0.000 0.500 790 A N -0.413 122.444 122.820 0.061 0.000 2.066 790 A HA -0.111 4.216 4.320 0.012 0.000 0.218 790 A C 1.912 179.493 177.584 -0.005 0.000 1.157 790 A CA 1.352 53.414 52.037 0.042 0.000 0.670 790 A CB -0.554 18.465 19.000 0.032 0.000 0.804 790 A HN 0.367 nan 8.150 nan 0.000 0.453 791 N N -0.381 118.290 118.700 -0.048 0.000 2.236 791 N HA -0.022 4.725 4.740 0.012 0.000 0.196 791 N C 0.008 175.471 175.510 -0.078 0.000 1.114 791 N CA 0.159 53.163 53.050 -0.076 0.000 0.859 791 N CB 0.185 38.608 38.487 -0.107 0.000 0.982 791 N HN 0.312 nan 8.380 nan 0.000 0.493 792 D N 0.690 121.065 120.400 -0.042 0.000 2.312 792 D HA -0.078 4.570 4.640 0.012 0.000 0.211 792 D C 0.819 177.111 176.300 -0.014 0.000 0.964 792 D CA 0.634 54.623 54.000 -0.019 0.000 0.877 792 D CB 0.112 40.942 40.800 0.050 0.000 0.924 792 D HN 0.100 nan 8.370 nan 0.000 0.515 793 Q N 0.308 120.099 119.800 -0.015 0.000 2.318 793 Q HA 0.150 4.498 4.340 0.012 0.000 0.270 793 Q C 0.936 176.910 176.000 -0.043 0.000 1.237 793 Q CA 0.754 56.547 55.803 -0.016 0.000 0.937 793 Q CB -0.041 28.689 28.738 -0.012 0.000 1.375 793 Q HN 0.421 nan 8.270 nan 0.000 0.452 794 G N 3.921 112.701 108.800 -0.034 0.000 2.491 794 G HA2 -0.205 3.762 3.960 0.012 0.000 0.203 794 G HA3 -0.205 3.762 3.960 0.012 0.000 0.203 794 G C 0.012 174.883 174.900 -0.048 0.000 1.052 794 G CA -0.023 45.049 45.100 -0.047 0.000 0.675 794 G HN 0.545 nan 8.290 nan 0.000 0.504 795 K N 1.233 121.591 120.400 -0.071 0.000 2.140 795 K HA 0.529 4.856 4.320 0.012 0.000 0.237 795 K C 0.006 176.622 176.600 0.028 0.000 1.045 795 K CA -0.126 56.140 56.287 -0.035 0.000 0.896 795 K CB -0.233 32.226 32.500 -0.069 0.000 1.122 795 K HN 0.116 nan 8.250 nan 0.000 0.503 796 T N 1.797 116.391 114.554 0.067 0.000 2.940 796 T HA 0.049 4.406 4.350 0.012 0.000 0.309 796 T C -0.041 174.696 174.700 0.062 0.000 1.056 796 T CA 0.019 62.164 62.100 0.074 0.000 1.137 796 T CB 0.146 69.074 68.868 0.100 0.000 0.976 796 T HN 0.203 nan 8.240 nan 0.000 0.547 797 K N 2.407 122.845 120.400 0.063 0.000 2.257 797 K HA 0.241 4.568 4.320 0.012 0.000 0.270 797 K C 1.054 177.695 176.600 0.068 0.000 1.098 797 K CA -0.275 56.053 56.287 0.068 0.000 0.943 797 K CB 0.487 33.028 32.500 0.068 0.000 1.316 797 K HN 0.594 nan 8.250 nan 0.000 0.447 798 S N 1.018 116.757 115.700 0.065 0.000 2.503 798 S HA 0.275 4.752 4.470 0.012 0.000 0.215 798 S C 0.913 175.548 174.600 0.058 0.000 1.003 798 S CA -0.048 58.186 58.200 0.058 0.000 0.910 798 S CB -0.143 63.089 63.200 0.052 0.000 0.790 798 S HN 0.680 nan 8.310 nan 0.000 0.514 799 G N 1.229 110.079 108.800 0.084 0.000 2.690 799 G HA2 -0.042 3.925 3.960 0.012 0.000 0.686 799 G HA3 -0.042 3.925 3.960 0.012 0.000 0.686 799 G C -1.136 173.825 174.900 0.101 0.000 1.277 799 G CA -1.070 44.103 45.100 0.120 0.000 0.799 799 G HN 0.428 nan 8.290 nan 0.000 0.613 800 R N -0.155 120.442 120.500 0.162 0.000 2.561 800 R HA 0.666 5.014 4.340 0.012 0.000 0.297 800 R C -0.342 176.053 176.300 0.157 0.000 0.969 800 R CA -0.786 55.381 56.100 0.112 0.000 0.879 800 R CB 1.794 32.148 30.300 0.089 0.000 1.178 800 R HN 0.497 nan 8.270 nan 0.000 0.445 801 L N 3.736 125.012 121.223 0.088 0.000 2.370 801 L HA 0.659 5.007 4.340 0.012 0.000 0.266 801 L C -0.416 176.492 176.870 0.064 0.000 1.002 801 L CA -0.960 53.942 54.840 0.103 0.000 0.818 801 L CB 2.226 44.313 42.059 0.047 0.000 1.325 801 L HN 0.458 nan 8.230 nan 0.000 0.418 802 I N 3.112 123.741 120.570 0.098 0.000 2.447 802 I HA 0.380 4.557 4.170 0.012 0.000 0.287 802 I C -0.775 175.406 176.117 0.108 0.000 1.023 802 I CA -0.329 61.005 61.300 0.057 0.000 1.083 802 I CB 2.053 40.108 38.000 0.091 0.000 1.245 802 I HN 0.327 nan 8.210 nan 0.000 0.434 803 L N 6.768 128.032 121.223 0.069 0.000 2.272 803 L HA 0.518 4.865 4.340 0.012 0.000 0.289 803 L C -0.045 176.915 176.870 0.151 0.000 1.032 803 L CA -0.549 54.379 54.840 0.146 0.000 0.810 803 L CB 1.108 43.258 42.059 0.153 0.000 1.205 803 L HN 0.466 nan 8.230 nan 0.000 0.422 804 K N 3.010 123.528 120.400 0.197 0.000 2.483 804 K HA 0.328 4.655 4.320 0.012 0.000 0.256 804 K C -0.826 175.843 176.600 0.114 0.000 0.961 804 K CA -0.352 56.064 56.287 0.216 0.000 0.873 804 K CB 1.691 34.339 32.500 0.246 0.000 1.107 804 K HN 0.545 nan 8.250 nan 0.000 0.432 805 S N 2.904 118.652 115.700 0.080 0.000 2.537 805 S HA -0.056 4.422 4.470 0.012 0.000 0.286 805 S C 1.349 175.957 174.600 0.013 0.000 1.299 805 S CA 0.010 58.214 58.200 0.008 0.000 1.067 805 S CB 1.161 64.366 63.200 0.008 0.000 0.864 805 S HN 0.751 nan 8.310 nan 0.000 0.494 806 E N 4.097 124.285 120.200 -0.020 0.000 2.114 806 E HA -0.307 4.051 4.350 0.012 0.000 0.199 806 E C 1.122 177.725 176.600 0.005 0.000 1.008 806 E CA 1.928 58.326 56.400 -0.004 0.000 0.810 806 E CB -0.198 29.495 29.700 -0.013 0.000 0.739 806 E HN 0.773 nan 8.360 nan 0.000 0.456 807 N N -0.382 118.318 118.700 0.001 0.000 2.515 807 N HA -0.015 4.732 4.740 0.012 0.000 0.185 807 N C 1.498 177.013 175.510 0.009 0.000 1.109 807 N CA 0.219 53.271 53.050 0.004 0.000 0.903 807 N CB 0.010 38.497 38.487 -0.001 0.000 0.969 807 N HN 0.260 nan 8.380 nan 0.000 0.450 808 A N 0.231 123.062 122.820 0.019 0.000 1.940 808 A HA -0.031 4.296 4.320 0.012 0.000 0.219 808 A C 1.134 178.709 177.584 -0.015 0.000 1.176 808 A CA 1.121 53.171 52.037 0.022 0.000 0.631 808 A CB 0.112 19.149 19.000 0.061 0.000 0.814 808 A HN 0.177 nan 8.150 nan 0.000 0.446 809 S N -2.274 113.410 115.700 -0.026 0.000 2.562 809 S HA 0.389 4.867 4.470 0.012 0.000 0.274 809 S C 0.460 175.046 174.600 -0.024 0.000 1.160 809 S CA -0.113 58.064 58.200 -0.039 0.000 0.933 809 S CB 1.243 64.397 63.200 -0.078 0.000 1.100 809 S HN 0.477 nan 8.310 nan 0.000 0.468 810 K N 2.448 122.836 120.400 -0.018 0.000 2.243 810 K HA 0.131 4.459 4.320 0.012 0.000 0.201 810 K C 1.125 177.718 176.600 -0.012 0.000 1.051 810 K CA 0.916 57.197 56.287 -0.010 0.000 0.970 810 K CB -0.158 32.338 32.500 -0.007 0.000 0.755 810 K HN 0.337 nan 8.250 nan 0.000 0.465 811 V N 1.974 121.876 119.914 -0.020 0.000 2.341 811 V HA 0.012 4.139 4.120 0.012 0.000 0.240 811 V C 1.319 177.396 176.094 -0.027 0.000 1.035 811 V CA 0.529 62.817 62.300 -0.021 0.000 1.033 811 V CB -0.199 31.610 31.823 -0.023 0.000 0.678 811 V HN 0.207 nan 8.190 nan 0.000 0.464 812 L N 3.163 124.359 121.223 -0.045 0.000 2.404 812 L HA 0.209 4.556 4.340 0.012 0.000 0.277 812 L C 0.637 177.477 176.870 -0.050 0.000 1.184 812 L CA -0.137 54.667 54.840 -0.060 0.000 1.013 812 L CB -0.469 41.524 42.059 -0.109 0.000 1.318 812 L HN 0.455 nan 8.230 nan 0.000 0.435 813 T N -2.815 111.727 114.554 -0.020 0.000 2.902 813 T HA 0.177 4.534 4.350 0.012 0.000 0.280 813 T C 1.399 176.111 174.700 0.021 0.000 0.992 813 T CA -0.525 61.576 62.100 0.002 0.000 1.015 813 T CB 1.486 70.361 68.868 0.011 0.000 1.044 813 T HN 0.415 nan 8.240 nan 0.000 0.520 814 T N 1.542 116.123 114.554 0.045 0.000 2.620 814 T HA -0.198 4.159 4.350 0.012 0.000 0.267 814 T C 1.935 176.676 174.700 0.067 0.000 1.044 814 T CA 2.071 64.216 62.100 0.076 0.000 1.161 814 T CB -0.441 68.483 68.868 0.092 0.000 0.862 814 T HN 0.874 nan 8.240 nan 0.000 0.438 815 E N 1.087 121.318 120.200 0.052 0.000 2.072 815 E HA -0.063 4.295 4.350 0.012 0.000 0.191 815 E C 2.418 179.033 176.600 0.026 0.000 0.985 815 E CA 0.852 57.276 56.400 0.041 0.000 0.801 815 E CB -0.999 28.723 29.700 0.037 0.000 0.750 815 E HN 0.397 nan 8.360 nan 0.000 0.452 816 V N 1.932 121.857 119.914 0.017 0.000 2.307 816 V HA -0.223 3.904 4.120 0.012 0.000 0.245 816 V C 2.625 178.723 176.094 0.006 0.000 1.045 816 V CA 1.533 63.836 62.300 0.005 0.000 1.024 816 V CB -0.512 31.308 31.823 -0.004 0.000 0.651 816 V HN 0.127 nan 8.190 nan 0.000 0.449 817 I N 0.030 120.607 120.570 0.012 0.000 2.118 817 I HA -0.316 3.861 4.170 0.012 0.000 0.241 817 I C 2.739 178.883 176.117 0.046 0.000 1.070 817 I CA 2.121 63.436 61.300 0.024 0.000 1.327 817 I CB -0.489 37.534 38.000 0.039 0.000 1.034 817 I HN 0.311 nan 8.210 nan 0.000 0.405 818 S N -0.114 115.616 115.700 0.049 0.000 2.382 818 S HA -0.212 4.265 4.470 0.012 0.000 0.228 818 S C 2.179 176.783 174.600 0.007 0.000 1.027 818 S CA 2.142 60.365 58.200 0.039 0.000 0.991 818 S CB -0.535 62.686 63.200 0.035 0.000 0.823 818 S HN 0.673 nan 8.310 nan 0.000 0.469 819 T N -0.238 114.316 114.554 0.000 0.000 2.867 819 T HA 0.071 4.428 4.350 0.012 0.000 0.268 819 T C 1.781 176.467 174.700 -0.023 0.000 1.057 819 T CA 1.141 63.231 62.100 -0.017 0.000 1.136 819 T CB -0.579 68.281 68.868 -0.013 0.000 0.874 819 T HN 0.441 nan 8.240 nan 0.000 0.466 820 I N 0.883 121.448 120.570 -0.008 0.000 2.252 820 I HA -0.038 4.139 4.170 0.012 0.000 0.245 820 I C 2.491 178.604 176.117 -0.007 0.000 1.102 820 I CA 1.179 62.475 61.300 -0.007 0.000 1.385 820 I CB -0.343 37.659 38.000 0.003 0.000 1.064 820 I HN 0.222 nan 8.210 nan 0.000 0.414 821 I N 0.572 121.151 120.570 0.015 0.000 2.163 821 I HA -0.322 3.855 4.170 0.012 0.000 0.243 821 I C 2.063 178.117 176.117 -0.105 0.000 1.085 821 I CA 1.414 62.730 61.300 0.026 0.000 1.347 821 I CB -0.601 37.469 38.000 0.118 0.000 1.044 821 I HN 0.237 nan 8.210 nan 0.000 0.408 822 D N 0.650 120.981 120.400 -0.116 0.000 2.117 822 D HA -0.210 4.437 4.640 0.012 0.000 0.197 822 D C 1.766 177.963 176.300 -0.172 0.000 0.987 822 D CA 1.484 55.374 54.000 -0.182 0.000 0.829 822 D CB -0.400 40.324 40.800 -0.127 0.000 0.961 822 D HN 0.335 nan 8.370 nan 0.000 0.460 823 D N 0.233 120.570 120.400 -0.106 0.000 2.092 823 D HA -0.163 4.484 4.640 0.012 0.000 0.193 823 D C 1.809 178.052 176.300 -0.095 0.000 0.994 823 D CA 1.159 55.108 54.000 -0.085 0.000 0.828 823 D CB 0.130 40.899 40.800 -0.051 0.000 0.963 823 D HN -0.001 nan 8.370 nan 0.000 0.450 824 E N -0.770 119.379 120.200 -0.085 0.000 2.208 824 E HA 0.063 4.420 4.350 0.012 0.000 0.193 824 E C 1.825 178.352 176.600 -0.121 0.000 0.988 824 E CA 0.789 57.151 56.400 -0.063 0.000 0.828 824 E CB -0.162 29.535 29.700 -0.005 0.000 0.763 824 E HN 0.338 nan 8.360 nan 0.000 0.478 825 A N 0.615 123.254 122.820 -0.302 0.000 2.019 825 A HA -0.127 4.200 4.320 0.012 0.000 0.219 825 A C 1.115 178.478 177.584 -0.368 0.000 1.164 825 A CA 1.166 52.819 52.037 -0.640 0.000 0.644 825 A CB -0.721 17.460 19.000 -1.365 0.000 0.805 825 A HN 0.412 nan 8.150 nan 0.000 0.449 826 S N -2.929 112.633 115.700 -0.229 0.000 3.550 826 S HA -0.005 4.473 4.470 0.012 0.000 0.372 826 S C 1.589 176.109 174.600 -0.133 0.000 0.966 826 S CA 1.149 59.267 58.200 -0.137 0.000 1.229 826 S CB -2.497 60.658 63.200 -0.075 0.000 0.917 826 S HN 2.520 nan 8.310 nan 0.000 0.496 827 G N 1.165 109.856 108.800 -0.181 0.000 2.196 827 G HA2 -0.399 3.568 3.960 0.012 0.000 0.268 827 G HA3 -0.399 3.568 3.960 0.012 0.000 0.268 827 G C 0.918 175.743 174.900 -0.124 0.000 0.975 827 G CA 0.632 45.644 45.100 -0.147 0.000 0.648 827 G HN 0.734 nan 8.290 nan 0.000 0.538 828 R N -0.703 119.721 120.500 -0.128 0.000 2.236 828 R HA 0.286 4.634 4.340 0.012 0.000 0.208 828 R C 0.944 177.317 176.300 0.121 0.000 1.036 828 R CA 1.554 57.676 56.100 0.036 0.000 1.001 828 R CB -0.310 30.096 30.300 0.176 0.000 0.896 828 R HN 0.973 nan 8.270 nan 0.000 0.464 829 F N -1.513 118.319 119.950 -0.198 0.000 2.799 829 F HA 0.310 4.845 4.527 0.012 0.000 0.316 829 F C -1.844 173.806 175.800 -0.250 0.000 1.155 829 F CA -1.916 55.869 58.000 -0.358 0.000 0.916 829 F CB 0.688 39.239 39.000 -0.748 0.000 1.294 829 F HN -0.189 nan 8.300 nan 0.000 0.447 830 D N 0.460 120.779 120.400 -0.134 0.000 2.450 830 D HA 0.687 5.335 4.640 0.012 0.000 0.238 830 D C -1.437 174.811 176.300 -0.086 0.000 1.020 830 D CA -0.780 53.120 54.000 -0.167 0.000 1.010 830 D CB 1.858 42.563 40.800 -0.157 0.000 1.342 830 D HN 0.706 nan 8.370 nan 0.000 0.530 831 S N -0.735 114.895 115.700 -0.118 0.000 2.536 831 S HA 0.606 5.084 4.470 0.012 0.000 0.287 831 S C -1.229 173.255 174.600 -0.194 0.000 1.101 831 S CA -0.825 57.307 58.200 -0.114 0.000 0.950 831 S CB 0.700 63.895 63.200 -0.009 0.000 1.056 831 S HN 0.389 nan 8.310 nan 0.000 0.481 832 K N 2.108 122.301 120.400 -0.345 0.000 2.469 832 K HA 0.443 4.771 4.320 0.012 0.000 0.254 832 K C -0.397 176.140 176.600 -0.106 0.000 0.939 832 K CA -0.749 55.356 56.287 -0.303 0.000 0.812 832 K CB 2.000 34.199 32.500 -0.502 0.000 1.301 832 K HN 0.823 nan 8.250 nan 0.000 0.433 833 T N -1.874 112.735 114.554 0.091 0.000 2.902 833 T HA 0.693 5.051 4.350 0.012 0.000 0.280 833 T C -0.122 174.794 174.700 0.361 0.000 0.992 833 T CA -0.829 61.398 62.100 0.212 0.000 1.015 833 T CB 1.462 70.418 68.868 0.146 0.000 1.044 833 T HN 0.538 nan 8.240 nan 0.000 0.520 834 A N 1.860 124.885 122.820 0.340 0.000 2.569 834 A HA 0.632 4.959 4.320 0.012 0.000 0.282 834 A C -0.534 177.227 177.584 0.295 0.000 1.165 834 A CA -0.815 51.423 52.037 0.334 0.000 0.747 834 A CB 0.213 19.398 19.000 0.309 0.000 1.215 834 A HN 0.816 nan 8.150 nan 0.000 0.431 835 I N 4.695 125.397 120.570 0.221 0.000 2.503 835 I HA 0.289 4.466 4.170 0.012 0.000 0.277 835 I C -1.069 175.091 176.117 0.072 0.000 1.078 835 I CA -1.396 59.983 61.300 0.132 0.000 1.184 835 I CB 1.672 39.733 38.000 0.102 0.000 1.353 835 I HN 0.553 nan 8.210 nan 0.000 0.490 836 P HA 0.099 nan 4.420 nan 0.000 0.217 836 P C 0.760 177.998 177.300 -0.104 0.000 1.151 836 P CA 0.885 63.869 63.100 -0.195 0.000 0.828 836 P CB 0.433 31.704 31.700 -0.716 0.000 0.788 837 G N -0.321 108.418 108.800 -0.102 0.000 2.631 837 G HA2 -0.169 3.799 3.960 0.012 0.000 0.504 837 G HA3 -0.169 3.799 3.960 0.012 0.000 0.504 837 G C -0.242 174.594 174.900 -0.108 0.000 1.306 837 G CA -0.404 44.668 45.100 -0.047 0.000 0.897 837 G HN 0.394 nan 8.290 nan 0.000 0.520 838 H N 0.156 119.192 119.070 -0.057 0.000 2.933 838 H HA 0.227 4.790 4.556 0.012 0.000 0.306 838 H C 1.712 177.009 175.328 -0.052 0.000 1.142 838 H CA 0.809 56.822 56.048 -0.058 0.000 1.193 838 H CB -0.059 29.678 29.762 -0.043 0.000 1.330 838 H HN 0.250 nan 8.280 nan 0.000 0.585 839 V N -0.365 119.551 119.914 0.003 0.000 3.431 839 V HA -0.110 4.018 4.120 0.012 0.000 0.253 839 V C 2.070 178.144 176.094 -0.033 0.000 1.184 839 V CA 0.485 62.779 62.300 -0.011 0.000 1.104 839 V CB 0.091 31.903 31.823 -0.018 0.000 0.799 839 V HN 0.401 nan 8.190 nan 0.000 0.462 840 Q N 0.216 119.973 119.800 -0.072 0.000 2.389 840 Q HA -0.285 4.063 4.340 0.012 0.000 0.213 840 Q C 2.242 178.218 176.000 -0.040 0.000 0.989 840 Q CA 1.415 57.175 55.803 -0.071 0.000 0.891 840 Q CB -0.118 28.526 28.738 -0.156 0.000 0.923 840 Q HN 0.662 nan 8.270 nan 0.000 0.455 841 Q N -0.413 119.368 119.800 -0.033 0.000 1.998 841 Q HA -0.140 4.208 4.340 0.012 0.000 0.209 841 Q C 1.102 177.093 176.000 -0.015 0.000 1.002 841 Q CA 1.594 57.383 55.803 -0.022 0.000 0.858 841 Q CB -0.741 27.988 28.738 -0.015 0.000 0.932 841 Q HN 0.430 nan 8.270 nan 0.000 0.416 842 G N -1.002 107.791 108.800 -0.012 0.000 2.692 842 G HA2 0.020 3.987 3.960 0.012 0.000 0.686 842 G HA3 0.020 3.987 3.960 0.012 0.000 0.686 842 G C 0.299 175.187 174.900 -0.021 0.000 1.243 842 G CA -0.010 45.084 45.100 -0.009 0.000 0.782 842 G HN 0.492 nan 8.290 nan 0.000 0.625 843 G N 0.297 109.081 108.800 -0.026 0.000 2.948 843 G HA2 0.514 4.482 3.960 0.012 0.000 0.174 843 G HA3 0.514 4.482 3.960 0.012 0.000 0.174 843 G C 0.997 175.868 174.900 -0.050 0.000 1.839 843 G CA 0.235 45.310 45.100 -0.040 0.000 0.908 843 G HN 1.686 nan 8.290 nan 0.000 0.419 844 I N 3.128 123.662 120.570 -0.060 0.000 3.085 844 I HA 0.082 4.259 4.170 0.012 0.000 0.302 844 I C -1.912 174.172 176.117 -0.056 0.000 1.234 844 I CA -1.198 60.058 61.300 -0.072 0.000 1.396 844 I CB -0.830 37.111 38.000 -0.098 0.000 1.385 844 I HN 0.070 nan 8.210 nan 0.000 0.533 845 P HA 0.104 nan 4.420 nan 0.000 0.272 845 P C -0.147 177.133 177.300 -0.032 0.000 1.223 845 P CA -0.415 62.665 63.100 -0.033 0.000 0.784 845 P CB 0.706 32.387 31.700 -0.032 0.000 0.923 846 S N 2.011 117.705 115.700 -0.009 0.000 2.568 846 S HA 0.097 4.574 4.470 0.012 0.000 0.282 846 S C -1.590 172.997 174.600 -0.022 0.000 1.338 846 S CA -0.633 57.564 58.200 -0.004 0.000 1.045 846 S CB -0.293 62.922 63.200 0.025 0.000 0.873 846 S HN 0.270 nan 8.310 nan 0.000 0.516 847 P HA -0.200 nan 4.420 nan 0.000 0.217 847 P C 1.637 178.912 177.300 -0.041 0.000 1.151 847 P CA 1.397 64.464 63.100 -0.056 0.000 0.849 847 P CB -0.049 31.615 31.700 -0.060 0.000 0.787 848 M N -0.614 118.994 119.600 0.013 0.000 2.065 848 M HA -0.193 4.295 4.480 0.012 0.000 0.259 848 M C 1.576 177.806 176.300 -0.116 0.000 1.069 848 M CA 1.990 57.251 55.300 -0.064 0.000 1.110 848 M CB -0.561 31.860 32.600 -0.298 0.000 1.328 848 M HN -0.217 nan 8.290 nan 0.000 0.405 849 D N 0.095 120.467 120.400 -0.047 0.000 2.104 849 D HA -0.154 4.494 4.640 0.012 0.000 0.194 849 D C 2.088 178.357 176.300 -0.052 0.000 0.994 849 D CA 1.388 55.387 54.000 -0.002 0.000 0.830 849 D CB -0.272 40.555 40.800 0.045 0.000 0.959 849 D HN 0.467 nan 8.370 nan 0.000 0.452 850 R N 0.300 120.763 120.500 -0.061 0.000 2.091 850 R HA -0.092 4.256 4.340 0.012 0.000 0.238 850 R C 2.451 178.696 176.300 -0.091 0.000 1.136 850 R CA 0.805 56.865 56.100 -0.067 0.000 0.959 850 R CB -0.458 29.793 30.300 -0.082 0.000 0.856 850 R HN 0.096 nan 8.270 nan 0.000 0.437 851 V N 1.037 120.866 119.914 -0.141 0.000 2.244 851 V HA -0.213 3.915 4.120 0.012 0.000 0.244 851 V C 2.418 178.412 176.094 -0.167 0.000 1.042 851 V CA 1.602 63.785 62.300 -0.196 0.000 1.006 851 V CB -0.493 31.141 31.823 -0.315 0.000 0.641 851 V HN 0.292 nan 8.190 nan 0.000 0.446 852 R N 0.170 120.517 120.500 -0.255 0.000 2.103 852 R HA -0.193 4.154 4.340 0.012 0.000 0.242 852 R C 2.400 178.273 176.300 -0.712 0.000 1.142 852 R CA 1.631 57.395 56.100 -0.561 0.000 0.960 852 R CB -0.779 29.136 30.300 -0.643 0.000 0.858 852 R HN 0.547 nan 8.270 nan 0.000 0.439 853 A N 1.115 123.740 122.820 -0.326 0.000 1.940 853 A HA -0.220 4.108 4.320 0.012 0.000 0.219 853 A C 2.322 179.890 177.584 -0.027 0.000 1.176 853 A CA 2.046 54.010 52.037 -0.123 0.000 0.631 853 A CB -0.597 18.394 19.000 -0.014 0.000 0.814 853 A HN 0.475 nan 8.150 nan 0.000 0.446 854 S N -0.178 115.512 115.700 -0.017 0.000 2.348 854 S HA -0.256 4.222 4.470 0.012 0.000 0.221 854 S C 2.174 176.809 174.600 0.057 0.000 1.033 854 S CA 1.496 59.730 58.200 0.058 0.000 1.010 854 S CB -0.559 62.688 63.200 0.078 0.000 0.891 854 S HN 0.607 nan 8.310 nan 0.000 0.442 855 R N 0.108 120.634 120.500 0.042 0.000 2.094 855 R HA -0.079 4.268 4.340 0.012 0.000 0.239 855 R C 2.265 178.696 176.300 0.218 0.000 1.137 855 R CA 2.106 58.259 56.100 0.089 0.000 0.943 855 R CB -0.553 29.789 30.300 0.070 0.000 0.850 855 R HN 0.646 nan 8.270 nan 0.000 0.433 856 F N 0.076 120.041 119.950 0.025 0.000 2.146 856 F HA -0.111 4.424 4.527 0.013 0.000 0.298 856 F C 2.683 178.497 175.800 0.024 0.000 1.096 856 F CA 0.126 58.131 58.000 0.007 0.000 1.275 856 F CB -0.266 38.741 39.000 0.012 0.000 1.008 856 F HN 0.249 nan 8.300 nan 0.000 0.480 857 A N 0.960 123.910 122.820 0.216 0.000 1.902 857 A HA -0.175 4.152 4.320 0.012 0.000 0.217 857 A C 2.052 179.690 177.584 0.090 0.000 1.181 857 A CA 1.503 53.625 52.037 0.142 0.000 0.623 857 A CB -1.022 18.049 19.000 0.119 0.000 0.818 857 A HN 0.370 nan 8.150 nan 0.000 0.443 858 I N -0.994 119.572 120.570 -0.006 0.000 2.252 858 I HA -0.216 3.962 4.170 0.012 0.000 0.245 858 I C 2.662 178.738 176.117 -0.067 0.000 1.102 858 I CA 0.961 62.115 61.300 -0.244 0.000 1.385 858 I CB -0.233 37.481 38.000 -0.476 0.000 1.064 858 I HN 0.193 nan 8.210 nan 0.000 0.414 859 R N 0.698 121.254 120.500 0.093 0.000 2.120 859 R HA -0.077 4.271 4.340 0.012 0.000 0.234 859 R C 2.298 178.842 176.300 0.407 0.000 1.123 859 R CA 1.410 57.660 56.100 0.250 0.000 0.975 859 R CB -0.644 29.798 30.300 0.237 0.000 0.866 859 R HN 0.389 nan 8.270 nan 0.000 0.446 860 A N 0.618 123.621 122.820 0.304 0.000 1.873 860 A HA -0.095 4.232 4.320 0.012 0.000 0.215 860 A C 2.432 180.163 177.584 0.246 0.000 1.186 860 A CA 1.401 53.617 52.037 0.298 0.000 0.616 860 A CB -0.559 18.555 19.000 0.190 0.000 0.823 860 A HN 0.088 nan 8.150 nan 0.000 0.442 861 V N -0.081 119.949 119.914 0.194 0.000 2.343 861 V HA -0.222 3.906 4.120 0.012 0.000 0.247 861 V C 2.738 178.957 176.094 0.208 0.000 1.051 861 V CA 2.343 64.754 62.300 0.184 0.000 1.036 861 V CB -0.934 31.074 31.823 0.309 0.000 0.654 861 V HN 0.531 nan 8.190 nan 0.000 0.451 862 S N -0.509 115.338 115.700 0.245 0.000 2.399 862 S HA -0.159 4.319 4.470 0.012 0.000 0.231 862 S C 1.729 176.433 174.600 0.173 0.000 1.022 862 S CA 1.689 60.026 58.200 0.227 0.000 0.983 862 S CB -0.423 62.901 63.200 0.207 0.000 0.803 862 S HN 0.631 nan 8.310 nan 0.000 0.480 863 F N 2.018 121.965 119.950 -0.005 0.000 2.128 863 F HA 0.013 4.548 4.527 0.012 0.000 0.295 863 F C 1.804 177.592 175.800 -0.020 0.000 1.100 863 F CA 1.099 58.996 58.000 -0.171 0.000 1.260 863 F CB -0.266 38.367 39.000 -0.611 0.000 1.009 863 F HN 0.093 nan 8.300 nan 0.000 0.476 864 I N 0.444 121.113 120.570 0.165 0.000 2.208 864 I HA -0.302 3.876 4.170 0.012 0.000 0.245 864 I C 2.249 178.375 176.117 0.014 0.000 1.097 864 I CA 1.680 63.030 61.300 0.083 0.000 1.363 864 I CB -0.587 37.463 38.000 0.082 0.000 1.051 864 I HN 0.235 nan 8.210 nan 0.000 0.413 865 E N 0.602 120.820 120.200 0.031 0.000 2.038 865 E HA -0.260 4.098 4.350 0.012 0.000 0.195 865 E C 2.370 178.971 176.600 0.002 0.000 1.000 865 E CA 1.358 57.788 56.400 0.050 0.000 0.803 865 E CB -0.101 29.672 29.700 0.122 0.000 0.750 865 E HN 0.402 nan 8.360 nan 0.000 0.448 866 R N -0.378 120.095 120.500 -0.045 0.000 2.081 866 R HA -0.119 4.229 4.340 0.012 0.000 0.235 866 R C 2.002 178.122 176.300 -0.301 0.000 1.131 866 R CA 1.498 57.503 56.100 -0.157 0.000 0.960 866 R CB -0.169 30.019 30.300 -0.186 0.000 0.856 866 R HN 0.271 nan 8.270 nan 0.000 0.436 867 H N -1.433 117.431 119.070 -0.343 0.000 2.562 867 H HA 0.163 4.726 4.556 0.012 0.000 0.267 867 H C 1.920 177.180 175.328 -0.113 0.000 0.959 867 H CA 0.607 56.478 56.048 -0.293 0.000 1.204 867 H CB 0.258 29.697 29.762 -0.539 0.000 1.430 867 H HN 0.041 nan 8.280 nan 0.000 0.545 868 S N 0.408 116.119 115.700 0.019 0.000 2.374 868 S HA -0.215 4.262 4.470 0.012 0.000 0.227 868 S C 1.537 176.169 174.600 0.053 0.000 1.037 868 S CA 1.903 60.132 58.200 0.049 0.000 1.024 868 S CB -0.203 63.025 63.200 0.047 0.000 0.861 868 S HN 0.401 nan 8.310 nan 0.000 0.456 869 D N 0.428 120.840 120.400 0.020 0.000 2.097 869 D HA -0.039 4.608 4.640 0.012 0.000 0.195 869 D C 2.357 178.684 176.300 0.046 0.000 0.989 869 D CA 1.069 55.082 54.000 0.021 0.000 0.827 869 D CB -0.149 40.647 40.800 -0.007 0.000 0.966 869 D HN 0.360 nan 8.370 nan 0.000 0.456 870 R N -0.308 120.224 120.500 0.054 0.000 2.081 870 R HA -0.080 4.268 4.340 0.012 0.000 0.235 870 R C 2.387 178.866 176.300 0.298 0.000 1.131 870 R CA 1.113 57.294 56.100 0.135 0.000 0.960 870 R CB -0.552 29.821 30.300 0.121 0.000 0.856 870 R HN 0.271 nan 8.270 nan 0.000 0.436 871 C N 0.446 119.907 119.300 0.268 0.000 2.429 871 C HA -0.107 4.360 4.460 0.012 0.000 0.277 871 C C 2.403 177.576 174.990 0.305 0.000 1.262 871 C CA 0.666 59.880 59.018 0.325 0.000 1.733 871 C CB -0.769 27.073 27.740 0.170 0.000 2.010 871 C HN 0.527 nan 8.230 nan 0.000 0.483 872 Q N 0.061 119.963 119.800 0.171 0.000 2.443 872 Q HA -0.141 4.207 4.340 0.012 0.000 0.213 872 Q C 1.998 178.045 176.000 0.078 0.000 0.982 872 Q CA 1.558 57.426 55.803 0.109 0.000 0.894 872 Q CB -0.129 28.651 28.738 0.069 0.000 0.947 872 Q HN 0.716 nan 8.270 nan 0.000 0.480 873 T N -0.407 114.184 114.554 0.062 0.000 2.851 873 T HA -0.062 4.295 4.350 0.012 0.000 0.262 873 T C 1.105 175.738 174.700 -0.111 0.000 1.043 873 T CA 0.941 62.984 62.100 -0.095 0.000 1.140 873 T CB -0.157 68.557 68.868 -0.256 0.000 0.872 873 T HN 0.245 nan 8.240 nan 0.000 0.446 874 F N 1.226 121.229 119.950 0.088 0.000 2.293 874 F HA 0.238 4.773 4.527 0.012 0.000 0.297 874 F C 2.372 178.167 175.800 -0.007 0.000 1.089 874 F CA 0.447 58.521 58.000 0.123 0.000 1.377 874 F CB -0.184 38.937 39.000 0.201 0.000 1.051 874 F HN -0.005 nan 8.300 nan 0.000 0.511 875 K N 0.533 121.034 120.400 0.168 0.000 2.001 875 K HA -0.117 4.211 4.320 0.012 0.000 0.208 875 K C 1.547 178.171 176.600 0.040 0.000 1.048 875 K CA 1.490 57.817 56.287 0.066 0.000 0.932 875 K CB -0.076 32.470 32.500 0.078 0.000 0.715 875 K HN 0.075 nan 8.250 nan 0.000 0.437 876 N N 0.215 118.939 118.700 0.040 0.000 2.515 876 N HA -0.056 4.692 4.740 0.012 0.000 0.185 876 N C -0.052 175.469 175.510 0.019 0.000 1.109 876 N CA 0.336 53.399 53.050 0.021 0.000 0.903 876 N CB 0.542 39.037 38.487 0.013 0.000 0.969 876 N HN -0.019 nan 8.380 nan 0.000 0.450 877 S N 0.276 115.996 115.700 0.033 0.000 2.503 877 S HA 0.521 4.999 4.470 0.012 0.000 0.301 877 S C 0.324 174.967 174.600 0.072 0.000 1.087 877 S CA -0.808 57.416 58.200 0.041 0.000 1.042 877 S CB 0.694 63.910 63.200 0.027 0.000 1.043 877 S HN -0.128 nan 8.310 nan 0.000 0.489 878 I N 2.278 122.885 120.570 0.061 0.000 3.521 878 I HA 0.337 4.514 4.170 0.012 0.000 0.223 878 I C 1.731 177.918 176.117 0.117 0.000 1.379 878 I CA -0.028 61.318 61.300 0.076 0.000 0.721 878 I CB -0.829 37.196 38.000 0.042 0.000 1.787 878 I HN 0.883 nan 8.210 nan 0.000 0.883 879 S N 0.325 116.085 115.700 0.100 0.000 3.420 879 S HA -0.281 4.196 4.470 0.012 0.000 0.367 879 S C 0.056 174.741 174.600 0.142 0.000 1.063 879 S CA 0.244 58.499 58.200 0.091 0.000 1.073 879 S CB -1.790 61.440 63.200 0.049 0.000 0.905 879 S HN 0.444 nan 8.310 nan 0.000 0.485 880 F N 1.751 121.731 119.950 0.049 0.000 2.462 880 F HA 0.488 5.023 4.527 0.013 0.000 0.360 880 F C 0.927 176.772 175.800 0.075 0.000 1.134 880 F CA -0.476 57.584 58.000 0.100 0.000 1.148 880 F CB 0.326 39.397 39.000 0.119 0.000 1.147 880 F HN 0.128 nan 8.300 nan 0.000 0.550 881 R N 3.115 123.432 120.500 -0.305 0.000 2.334 881 R HA 0.047 4.395 4.340 0.012 0.000 0.220 881 R C 0.000 176.020 176.300 -0.468 0.000 0.917 881 R CA 0.108 56.038 56.100 -0.283 0.000 1.073 881 R CB -0.241 29.986 30.300 -0.123 0.000 1.056 881 R HN 0.778 nan 8.270 nan 0.000 0.506 882 Q N 0.750 119.894 119.800 -1.095 0.000 2.456 882 Q HA -0.171 4.177 4.340 0.012 0.000 0.325 882 Q C -0.168 175.613 176.000 -0.366 0.000 1.453 882 Q CA 0.784 56.065 55.803 -0.869 0.000 0.848 882 Q CB -1.458 27.052 28.738 -0.378 0.000 1.123 882 Q HN 0.494 nan 8.270 nan 0.000 0.374 883 T N -3.313 111.081 114.554 -0.267 0.000 2.681 883 T HA 0.073 4.430 4.350 0.012 0.000 0.333 883 T C 0.841 175.520 174.700 -0.035 0.000 1.049 883 T CA 0.268 62.334 62.100 -0.057 0.000 1.002 883 T CB 0.561 69.493 68.868 0.106 0.000 1.161 883 T HN 0.369 nan 8.240 nan 0.000 0.519 884 D N -1.020 119.395 120.400 0.024 0.000 2.271 884 D HA -0.053 4.594 4.640 0.012 0.000 0.206 884 D C 1.911 178.242 176.300 0.050 0.000 0.967 884 D CA 0.353 54.374 54.000 0.035 0.000 0.867 884 D CB 0.102 40.931 40.800 0.048 0.000 0.960 884 D HN 0.557 nan 8.370 nan 0.000 0.509 885 E N 0.521 120.779 120.200 0.096 0.000 2.150 885 E HA -0.142 4.216 4.350 0.012 0.000 0.193 885 E C 2.072 178.673 176.600 0.002 0.000 0.985 885 E CA 0.396 56.882 56.400 0.142 0.000 0.814 885 E CB 0.081 29.984 29.700 0.338 0.000 0.752 885 E HN 0.326 nan 8.360 nan 0.000 0.466 886 I N 0.646 121.058 120.570 -0.264 0.000 2.400 886 I HA -0.175 4.002 4.170 0.012 0.000 0.248 886 I C 2.360 178.389 176.117 -0.147 0.000 1.109 886 I CA 1.420 62.435 61.300 -0.475 0.000 1.425 886 I CB -0.443 36.968 38.000 -0.982 0.000 1.094 886 I HN 0.039 nan 8.210 nan 0.000 0.425 887 T N -2.203 112.309 114.554 -0.070 0.000 2.929 887 T HA -0.114 4.244 4.350 0.012 0.000 0.271 887 T C 1.895 176.611 174.700 0.027 0.000 1.085 887 T CA 1.532 63.627 62.100 -0.008 0.000 1.125 887 T CB -0.853 68.019 68.868 0.006 0.000 0.874 887 T HN 0.290 nan 8.240 nan 0.000 0.494 888 S N 1.831 117.561 115.700 0.050 0.000 2.447 888 S HA -0.073 4.404 4.470 0.012 0.000 0.233 888 S C 2.401 177.081 174.600 0.133 0.000 1.006 888 S CA 1.364 59.625 58.200 0.102 0.000 0.957 888 S CB -0.726 62.556 63.200 0.136 0.000 0.773 888 S HN 0.932 nan 8.310 nan 0.000 0.507 889 T N 0.163 114.780 114.554 0.106 0.000 3.023 889 T HA 0.263 4.620 4.350 0.012 0.000 0.266 889 T C 0.730 175.523 174.700 0.156 0.000 1.093 889 T CA 0.554 62.744 62.100 0.150 0.000 1.129 889 T CB -0.232 68.694 68.868 0.097 0.000 0.899 889 T HN 0.274 nan 8.240 nan 0.000 0.491 890 A N 1.448 124.308 122.820 0.067 0.000 2.506 890 A HA 0.684 5.012 4.320 0.012 0.000 0.320 890 A C -0.331 177.248 177.584 -0.008 0.000 1.424 890 A CA -0.556 51.494 52.037 0.023 0.000 1.044 890 A CB 0.220 19.215 19.000 -0.008 0.000 1.140 890 A HN 0.353 nan 8.150 nan 0.000 0.538 891 V N 2.916 122.799 119.914 -0.053 0.000 3.102 891 V HA 0.554 4.682 4.120 0.012 0.000 0.312 891 V C -0.759 175.296 176.094 -0.066 0.000 1.135 891 V CA -0.469 61.779 62.300 -0.086 0.000 1.022 891 V CB 2.615 34.282 31.823 -0.259 0.000 1.056 891 V HN 0.541 nan 8.190 nan 0.000 0.436 892 V N 4.752 124.646 119.914 -0.033 0.000 2.378 892 V HA 0.432 4.559 4.120 0.012 0.000 0.288 892 V C -0.066 175.931 176.094 -0.162 0.000 1.016 892 V CA -0.502 61.777 62.300 -0.036 0.000 0.840 892 V CB 1.453 33.319 31.823 0.070 0.000 0.994 892 V HN 0.682 nan 8.190 nan 0.000 0.431 893 L N 4.786 125.831 121.223 -0.296 0.000 2.410 893 L HA 0.705 5.053 4.340 0.012 0.000 0.273 893 L C 0.642 177.200 176.870 -0.520 0.000 1.144 893 L CA 0.597 55.043 54.840 -0.657 0.000 0.863 893 L CB 0.644 42.295 42.059 -0.680 0.000 1.140 893 L HN 0.848 nan 8.230 nan 0.000 0.463 894 G N 4.966 113.453 108.800 -0.522 0.000 2.677 894 G HA2 0.462 4.430 3.960 0.012 0.000 0.291 894 G HA3 0.462 4.430 3.960 0.012 0.000 0.291 894 G C -1.455 173.287 174.900 -0.263 0.000 1.435 894 G CA -0.706 44.184 45.100 -0.350 0.000 0.826 894 G HN 0.476 nan 8.290 nan 0.000 0.491 895 I N 0.775 121.260 120.570 -0.142 0.000 2.342 895 I HA 0.326 4.504 4.170 0.012 0.000 0.291 895 I C -0.497 175.631 176.117 0.018 0.000 1.010 895 I CA -0.543 60.734 61.300 -0.038 0.000 1.308 895 I CB 1.472 39.502 38.000 0.050 0.000 1.400 895 I HN 0.571 nan 8.210 nan 0.000 0.488 896 H N 6.329 125.356 119.070 -0.071 0.000 3.108 896 H HA 0.505 5.068 4.556 0.012 0.000 0.301 896 H C -0.199 175.111 175.328 -0.030 0.000 1.139 896 H CA 0.503 56.512 56.048 -0.065 0.000 1.552 896 H CB 0.361 30.092 29.762 -0.051 0.000 1.663 896 H HN 0.716 nan 8.280 nan 0.000 0.517 900 L N 2.245 123.471 121.223 0.004 0.000 2.255 900 L HA 0.803 5.151 4.340 0.012 0.000 0.289 900 L C -0.530 176.284 176.870 -0.093 0.000 1.046 900 L CA 0.556 55.350 54.840 -0.078 0.000 0.816 900 L CB 0.633 42.650 42.059 -0.071 0.000 1.197 900 L HN 0.745 nan 8.230 nan 0.000 0.427 901 R N 3.917 124.326 120.500 -0.151 0.000 2.795 901 R HA 0.697 5.045 4.340 0.012 0.000 0.275 901 R C -1.503 174.650 176.300 -0.244 0.000 0.981 901 R CA -0.497 55.552 56.100 -0.085 0.000 0.917 901 R CB 0.940 31.254 30.300 0.024 0.000 1.202 901 R HN 0.454 nan 8.270 nan 0.000 0.469 902 F N 1.359 121.264 119.950 -0.075 0.000 2.405 902 F HA 0.484 5.018 4.527 0.012 0.000 0.355 902 F C 0.450 176.197 175.800 -0.089 0.000 1.121 902 F CA -0.152 57.750 58.000 -0.164 0.000 1.112 902 F CB 2.541 41.373 39.000 -0.281 0.000 1.126 902 F HN 0.497 nan 8.300 nan 0.000 0.481 903 T N 4.911 119.494 114.554 0.049 0.000 2.770 903 T HA 0.338 4.695 4.350 0.012 0.000 0.283 903 T C -2.710 172.026 174.700 0.059 0.000 0.988 903 T CA -1.973 60.160 62.100 0.054 0.000 0.957 903 T CB 1.397 70.282 68.868 0.028 0.000 0.930 903 T HN 0.128 nan 8.240 nan 0.000 0.443 904 P HA 0.109 nan 4.420 nan 0.000 0.264 904 P C 1.010 178.346 177.300 0.060 0.000 1.193 904 P CA -0.397 62.741 63.100 0.063 0.000 0.763 904 P CB 0.400 32.148 31.700 0.081 0.000 0.810 905 I N 4.496 125.073 120.570 0.011 0.000 2.236 905 I HA -0.376 3.802 4.170 0.012 0.000 0.249 905 I C 2.522 178.644 176.117 0.008 0.000 1.102 905 I CA 2.325 63.597 61.300 -0.046 0.000 1.365 905 I CB -0.640 37.262 38.000 -0.164 0.000 1.051 905 I HN 0.324 nan 8.210 nan 0.000 0.420 906 R N 0.919 121.446 120.500 0.045 0.000 2.094 906 R HA -0.250 4.098 4.340 0.012 0.000 0.239 906 R C 2.105 178.510 176.300 0.175 0.000 1.137 906 R CA 2.267 58.423 56.100 0.092 0.000 0.943 906 R CB -2.055 28.304 30.300 0.099 0.000 0.850 906 R HN 0.826 nan 8.270 nan 0.000 0.433 907 Q N 0.366 120.316 119.800 0.250 0.000 2.167 907 Q HA -0.024 4.323 4.340 0.012 0.000 0.202 907 Q C 2.261 178.494 176.000 0.388 0.000 0.970 907 Q CA 1.735 57.794 55.803 0.426 0.000 0.855 907 Q CB -0.223 28.688 28.738 0.288 0.000 0.911 907 Q HN 0.603 nan 8.270 nan 0.000 0.438 908 L N -0.770 120.618 121.223 0.276 0.000 2.179 908 L HA -0.033 4.315 4.340 0.012 0.000 0.208 908 L C 2.399 179.501 176.870 0.386 0.000 1.096 908 L CA 0.898 55.932 54.840 0.323 0.000 0.779 908 L CB -0.437 41.860 42.059 0.396 0.000 0.922 908 L HN 0.115 nan 8.230 nan 0.000 0.443 909 Y N 1.022 121.398 120.300 0.128 0.000 2.176 909 Y HA -0.188 4.370 4.550 0.012 0.000 0.291 909 Y C 2.324 178.153 175.900 -0.118 0.000 1.122 909 Y CA 1.565 59.664 58.100 -0.002 0.000 1.128 909 Y CB 0.047 38.318 38.460 -0.314 0.000 1.005 909 Y HN 0.154 nan 8.280 nan 0.000 0.509 910 D N -0.447 119.856 120.400 -0.161 0.000 2.117 910 D HA -0.146 4.501 4.640 0.012 0.000 0.198 910 D C 1.634 177.504 176.300 -0.716 0.000 0.982 910 D CA 1.758 55.393 54.000 -0.608 0.000 0.828 910 D CB -0.326 39.821 40.800 -1.089 0.000 0.967 910 D HN 0.415 nan 8.370 nan 0.000 0.464 911 F N 0.318 120.299 119.950 0.051 0.000 2.553 911 F HA 0.268 4.802 4.527 0.012 0.000 0.282 911 F C 2.009 177.828 175.800 0.033 0.000 1.089 911 F CA -0.074 57.948 58.000 0.036 0.000 1.411 911 F CB 0.007 39.031 39.000 0.039 0.000 1.125 911 F HN -0.221 nan 8.300 nan 0.000 0.610 912 E N 0.533 120.858 120.200 0.208 0.000 2.463 912 E HA 0.128 4.486 4.350 0.012 0.000 0.193 912 E C -0.046 176.608 176.600 0.090 0.000 1.041 912 E CA 0.036 56.521 56.400 0.141 0.000 0.879 912 E CB 0.309 30.094 29.700 0.140 0.000 0.997 912 E HN 0.286 nan 8.360 nan 0.000 0.478 913 S N -0.383 115.357 115.700 0.068 0.000 2.569 913 S HA 0.225 4.702 4.470 0.012 0.000 0.280 913 S C -0.671 173.937 174.600 0.015 0.000 1.111 913 S CA -1.043 57.199 58.200 0.069 0.000 0.887 913 S CB 1.993 65.296 63.200 0.172 0.000 1.095 913 S HN -0.065 nan 8.310 nan 0.000 0.476 914 D N 2.610 123.019 120.400 0.015 0.000 2.631 914 D HA 0.064 4.711 4.640 0.012 0.000 0.227 914 D C 1.537 177.828 176.300 -0.014 0.000 1.146 914 D CA -0.190 53.787 54.000 -0.038 0.000 1.009 914 D CB 0.781 41.538 40.800 -0.073 0.000 1.057 914 D HN 0.500 nan 8.370 nan 0.000 0.509 915 V N 3.321 123.231 119.914 -0.008 0.000 2.428 915 V HA -0.137 3.990 4.120 0.012 0.000 0.255 915 V C -1.211 174.927 176.094 0.074 0.000 1.080 915 V CA 2.124 64.423 62.300 -0.002 0.000 1.083 915 V CB -1.111 30.453 31.823 -0.430 0.000 0.665 915 V HN 0.428 nan 8.190 nan 0.000 0.461 916 P HA 0.320 nan 4.420 nan 0.000 0.302 916 P C 1.099 178.385 177.300 -0.023 0.000 1.301 916 P CA 1.389 64.489 63.100 -0.000 0.000 0.745 916 P CB -0.004 31.685 31.700 -0.019 0.000 1.331 917 R N -0.580 119.909 120.500 -0.019 0.000 2.244 917 R HA -0.213 4.134 4.340 0.012 0.000 0.252 917 R C 2.180 178.432 176.300 -0.081 0.000 1.177 917 R CA 2.552 58.633 56.100 -0.032 0.000 1.004 917 R CB -1.589 28.702 30.300 -0.016 0.000 0.873 917 R HN 0.508 nan 8.270 nan 0.000 0.469 918 R N -1.068 119.367 120.500 -0.109 0.000 2.073 918 R HA 0.103 4.450 4.340 0.012 0.000 0.229 918 R C 0.857 176.989 176.300 -0.280 0.000 1.120 918 R CA 0.951 56.964 56.100 -0.146 0.000 0.967 918 R CB -0.412 29.823 30.300 -0.109 0.000 0.862 918 R HN 0.672 nan 8.270 nan 0.000 0.436 919 M N 1.093 120.411 119.600 -0.471 0.000 3.355 919 M HA -0.263 4.225 4.480 0.012 0.000 0.169 919 M C -0.334 175.371 176.300 -0.992 0.000 1.360 919 M CA 0.731 55.311 55.300 -1.199 0.000 0.874 919 M CB -1.210 30.757 32.600 -1.055 0.000 1.274 919 M HN 0.340 nan 8.290 nan 0.000 0.621 923 I N -1.122 119.222 120.570 -0.377 0.000 2.823 923 I HA 0.483 4.661 4.170 0.012 0.000 0.290 923 I C 0.640 176.439 176.117 -0.529 0.000 1.091 923 I CA -0.109 60.666 61.300 -0.874 0.000 1.365 923 I CB 0.458 37.460 38.000 -1.663 0.000 1.427 923 I HN 0.587 nan 8.210 nan 0.000 0.583 924 F N 1.020 120.670 119.950 -0.499 0.000 2.637 924 F HA 0.289 4.823 4.527 0.012 0.000 0.284 924 F C 1.427 177.229 175.800 0.003 0.000 1.105 924 F CA -0.640 57.303 58.000 -0.095 0.000 1.356 924 F CB -0.976 38.101 39.000 0.128 0.000 1.096 924 F HN 0.647 nan 8.300 nan 0.000 0.616 925 W N 2.283 123.437 121.300 -0.242 0.000 3.003 925 W HA 0.168 4.836 4.660 0.013 0.000 0.244 925 W C 1.626 178.089 176.519 -0.095 0.000 1.304 925 W CA 0.143 57.409 57.345 -0.131 0.000 1.420 925 W CB -1.730 27.593 29.460 -0.228 0.000 1.127 925 W HN 0.077 nan 8.180 nan 0.000 0.702 926 S N 1.949 117.587 115.700 -0.102 0.000 2.365 926 S HA -0.430 4.048 4.470 0.012 0.000 0.225 926 S C 1.903 176.495 174.600 -0.013 0.000 1.039 926 S CA 1.835 59.990 58.200 -0.075 0.000 1.033 926 S CB -1.166 61.977 63.200 -0.094 0.000 0.887 926 S HN 0.670 nan 8.310 nan 0.000 0.447 927 N N 2.555 121.265 118.700 0.016 0.000 2.120 927 N HA -0.101 4.646 4.740 0.012 0.000 0.188 927 N C 1.696 177.189 175.510 -0.027 0.000 1.024 927 N CA 1.616 54.668 53.050 0.003 0.000 0.852 927 N CB -1.124 37.377 38.487 0.022 0.000 1.003 927 N HN 0.401 nan 8.380 nan 0.000 0.424 928 V N 1.627 121.527 119.914 -0.023 0.000 2.282 928 V HA -0.221 3.906 4.120 0.012 0.000 0.249 928 V C 2.851 178.864 176.094 -0.136 0.000 1.057 928 V CA 1.883 64.113 62.300 -0.115 0.000 1.032 928 V CB -0.661 31.033 31.823 -0.216 0.000 0.645 928 V HN 0.315 nan 8.190 nan 0.000 0.447 929 R N -0.136 120.317 120.500 -0.079 0.000 2.083 929 R HA -0.213 4.134 4.340 0.012 0.000 0.237 929 R C 2.359 178.614 176.300 -0.075 0.000 1.137 929 R CA 2.011 58.071 56.100 -0.066 0.000 0.951 929 R CB -0.422 29.878 30.300 -0.001 0.000 0.851 929 R HN 0.644 nan 8.270 nan 0.000 0.434 930 E N 0.441 120.604 120.200 -0.062 0.000 2.058 930 E HA -0.205 4.153 4.350 0.012 0.000 0.194 930 E C 2.061 178.597 176.600 -0.107 0.000 0.997 930 E CA 1.354 57.715 56.400 -0.065 0.000 0.801 930 E CB -0.197 29.478 29.700 -0.042 0.000 0.746 930 E HN 0.322 nan 8.360 nan 0.000 0.450 931 I N 1.176 121.672 120.570 -0.124 0.000 2.252 931 I HA -0.251 3.927 4.170 0.012 0.000 0.245 931 I C 2.457 178.473 176.117 -0.168 0.000 1.102 931 I CA 1.241 62.441 61.300 -0.166 0.000 1.385 931 I CB -0.204 37.703 38.000 -0.155 0.000 1.064 931 I HN 0.071 nan 8.210 nan 0.000 0.414 932 S N -0.239 115.372 115.700 -0.149 0.000 2.447 932 S HA -0.128 4.349 4.470 0.012 0.000 0.233 932 S C 1.504 176.038 174.600 -0.110 0.000 1.006 932 S CA 0.961 59.078 58.200 -0.138 0.000 0.957 932 S CB -0.329 62.782 63.200 -0.149 0.000 0.773 932 S HN 0.373 nan 8.310 nan 0.000 0.507 933 D N 1.144 121.482 120.400 -0.103 0.000 2.162 933 D HA 0.056 4.704 4.640 0.012 0.000 0.203 933 D C 1.899 178.158 176.300 -0.069 0.000 0.967 933 D CA 0.601 54.553 54.000 -0.079 0.000 0.840 933 D CB -0.324 40.436 40.800 -0.067 0.000 0.972 933 D HN 0.225 nan 8.370 nan 0.000 0.482 934 M N 0.426 119.950 119.600 -0.127 0.000 2.065 934 M HA -0.122 4.365 4.480 0.012 0.000 0.259 934 M C 1.861 178.165 176.300 0.006 0.000 1.069 934 M CA 1.297 56.476 55.300 -0.202 0.000 1.110 934 M CB -0.596 31.707 32.600 -0.495 0.000 1.328 934 M HN 0.010 nan 8.290 nan 0.000 0.405 935 L N 0.186 121.375 121.223 -0.057 0.000 2.362 935 L HA -0.136 4.211 4.340 0.012 0.000 0.219 935 L C 2.069 179.023 176.870 0.140 0.000 1.134 935 L CA 1.295 56.103 54.840 -0.053 0.000 0.807 935 L CB -0.470 41.470 42.059 -0.198 0.000 0.927 935 L HN 0.475 nan 8.230 nan 0.000 0.447 936 S N -2.000 113.770 115.700 0.117 0.000 2.559 936 S HA 0.260 4.737 4.470 0.012 0.000 0.226 936 S C 1.341 175.982 174.600 0.069 0.000 1.000 936 S CA 0.248 58.506 58.200 0.096 0.000 0.948 936 S CB 0.905 64.098 63.200 -0.011 0.000 0.870 936 S HN 0.397 nan 8.310 nan 0.000 0.497 937 G N 2.004 110.845 108.800 0.069 0.000 2.176 937 G HA2 -0.255 3.712 3.960 0.012 0.000 0.252 937 G HA3 -0.255 3.712 3.960 0.012 0.000 0.252 937 G C 0.018 174.878 174.900 -0.067 0.000 1.024 937 G CA -0.029 45.034 45.100 -0.061 0.000 0.755 937 G HN 0.552 nan 8.290 nan 0.000 0.507 938 R N 0.582 121.053 120.500 -0.048 0.000 2.438 938 R HA 0.430 4.777 4.340 0.012 0.000 0.287 938 R C -0.365 175.914 176.300 -0.036 0.000 1.077 938 R CA 0.390 56.458 56.100 -0.053 0.000 1.034 938 R CB 0.300 30.560 30.300 -0.066 0.000 0.993 938 R HN 0.161 nan 8.270 nan 0.000 0.459 939 T N 2.510 117.045 114.554 -0.030 0.000 2.788 939 T HA 0.239 4.597 4.350 0.012 0.000 0.296 939 T C 0.164 174.862 174.700 -0.004 0.000 1.009 939 T CA -0.387 61.704 62.100 -0.015 0.000 0.949 939 T CB 1.444 70.299 68.868 -0.020 0.000 0.946 939 T HN 0.398 nan 8.240 nan 0.000 0.453 940 S N 2.515 118.217 115.700 0.002 0.000 2.632 940 S HA 0.713 5.190 4.470 0.012 0.000 0.267 940 S C 0.173 174.782 174.600 0.015 0.000 1.193 940 S CA -0.706 57.501 58.200 0.013 0.000 1.003 940 S CB 0.339 63.546 63.200 0.010 0.000 1.073 940 S HN 0.484 nan 8.310 nan 0.000 0.553 941 L N 0.000 121.235 121.223 0.020 0.000 2.949 941 L HA 0.000 4.347 4.340 0.012 0.000 0.249 941 L CA 0.000 54.849 54.840 0.015 0.000 0.813 941 L CB 0.000 42.070 42.059 0.019 0.000 0.961 941 L HN 0.000 nan 8.230 nan 0.000 0.502