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 2ww0_1_F DATA FIRST_RESID 20 DATA SEQUENCE KDWTQYVNPL MGSQSTFELS TGNTYPAIAR PWGMNFWTPQ TGKMGDGWQY DATA SEQUENCE TYTANKIRGF KQTHQPSPWI NDYGQFSIMP IVGQPVFDEE KRASWFAHKG DATA SEQUENCE EVATPYYYKV YLAEHDIVTE MTPTERAVLF RFTFPENDHS YVVVDAFDKG DATA SEQUENCE SYIKIIPEEN KIIGYTTRNS GGVPENFKNY FIIEFDKPFT YKATVENGNL DATA SEQUENCE QENVAEQTTD HAGAIIGFKT RKGEQVNARI ASSFISFEQA AANMNELGKD DATA SEQUENCE NIEQLAQKGK DAWNQVLGKI EVEGGNLDQY RTFYSCLYRS LLFPRKFYEL DATA SEQUENCE DANGQPIHYS PYNGQVLPGY MFTDTGFWDT FRCLFPLLNL MYPSVNKEMQ DATA SEQUENCE EGLINTYLES GFFPEWASPG HRGCMVGNNS ASILVDAYMK GVKVDDIKTL DATA SEQUENCE YEGLIHGTEN VHPEVSSTGR LGYEYYNKLG YVPYDVKINE NAARTLEYAY DATA SEQUENCE DDWCIYRLAK ELKRPKKEIS LFAKRAMNYK NLFDKESKLM RGRNEDGTFQ DATA SEQUENCE SPFSPLKWGD AFTEGNSWHY TWSVFHDPQG LIDLMGGKEM FVTMMDSVFA DATA SEQUENCE VPPIFDDSYY GQVIHEIREM TVMNMGNYAH GNQPIQHMIY LYDYAGQPWK DATA SEQUENCE AQYWLRQVMD RMYTPGPDGY CGDEDNGQTS AWYVFSALGF YPVCPGTDEY DATA SEQUENCE VMGTPLFKKA TLHFENGNSL VIDAPNNSTE NFYIDSMSFN GADHTKNYLR DATA SEQUENCE HEDLFKGGTI KVDMSNRPNL NRGTKEEDMP YSFSKE 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 20 K HA 0.000 nan 4.320 nan 0.000 0.191 20 K C 0.000 176.116 176.600 -0.807 0.000 0.988 20 K CA 0.000 55.958 56.287 -0.549 0.000 0.838 20 K CB 0.000 32.110 32.500 -0.650 0.000 1.064 21 D N 0.870 120.776 120.400 -0.824 0.000 2.502 21 D HA 0.507 5.146 4.640 -0.000 0.000 0.249 21 D C -0.017 175.829 176.300 -0.756 0.000 1.092 21 D CA -0.646 52.972 54.000 -0.637 0.000 0.839 21 D CB 0.773 41.350 40.800 -0.372 0.000 1.264 21 D HN 0.564 nan 8.370 nan 0.000 0.511 22 W N 2.162 123.329 121.300 -0.221 0.000 3.107 22 W HA -0.025 4.635 4.660 -0.000 0.000 0.293 22 W C 1.759 178.130 176.519 -0.247 0.000 1.239 22 W CA 0.666 57.817 57.345 -0.324 0.000 1.653 22 W CB -0.257 28.885 29.460 -0.531 0.000 1.068 22 W HN 0.558 nan 8.180 nan 0.000 0.615 23 T N -0.609 113.951 114.554 0.011 0.000 2.881 23 T HA -0.290 4.060 4.350 -0.000 0.000 0.270 23 T C 1.670 176.328 174.700 -0.070 0.000 1.068 23 T CA 1.633 63.743 62.100 0.017 0.000 1.131 23 T CB -0.445 68.500 68.868 0.129 0.000 0.871 23 T HN 0.367 nan 8.240 nan 0.000 0.479 24 Q N -0.081 119.586 119.800 -0.221 0.000 2.297 24 Q HA -0.142 4.198 4.340 -0.000 0.000 0.208 24 Q C 1.348 177.201 176.000 -0.245 0.000 0.981 24 Q CA 1.340 56.966 55.803 -0.296 0.000 0.876 24 Q CB -0.761 27.682 28.738 -0.492 0.000 0.921 24 Q HN 0.626 nan 8.270 nan 0.000 0.446 25 Y N 0.442 120.768 120.300 0.044 0.000 2.500 25 Y HA 0.227 4.777 4.550 -0.000 0.000 0.270 25 Y C 0.592 176.563 175.900 0.119 0.000 1.134 25 Y CA -0.668 57.518 58.100 0.144 0.000 1.293 25 Y CB 0.652 39.296 38.460 0.305 0.000 1.063 25 Y HN -0.116 nan 8.280 nan 0.000 0.534 26 V N 2.410 122.401 119.914 0.128 0.000 2.455 26 V HA 0.065 4.185 4.120 -0.000 0.000 0.273 26 V C -0.107 175.917 176.094 -0.116 0.000 1.045 26 V CA -0.521 61.759 62.300 -0.033 0.000 0.976 26 V CB 0.609 32.247 31.823 -0.309 0.000 0.993 26 V HN 0.244 nan 8.190 nan 0.000 0.475 27 N N 7.475 126.142 118.700 -0.055 0.000 2.546 27 N HA 0.396 5.136 4.740 -0.000 0.000 0.238 27 N C -1.936 173.540 175.510 -0.056 0.000 0.984 27 N CA -2.233 50.788 53.050 -0.049 0.000 0.935 27 N CB 1.971 40.468 38.487 0.017 0.000 1.122 27 N HN 0.202 nan 8.380 nan 0.000 0.510 28 P HA 0.004 nan 4.420 nan 0.000 0.234 28 P C 0.784 178.120 177.300 0.059 0.000 1.167 28 P CA 0.797 63.860 63.100 -0.061 0.000 0.763 28 P CB 0.298 31.895 31.700 -0.172 0.000 0.835 29 L N -2.251 119.017 121.223 0.075 0.000 2.558 29 L HA 0.183 4.523 4.340 -0.000 0.000 0.225 29 L C 1.349 178.299 176.870 0.133 0.000 1.128 29 L CA -0.151 54.777 54.840 0.148 0.000 0.868 29 L CB -0.375 41.810 42.059 0.210 0.000 1.006 29 L HN 0.090 nan 8.230 nan 0.000 0.454 30 M N 0.840 120.505 119.600 0.108 0.000 2.356 30 M HA 0.165 4.645 4.480 -0.000 0.000 0.348 30 M C 1.026 177.459 176.300 0.222 0.000 1.595 30 M CA 1.188 56.545 55.300 0.096 0.000 1.095 30 M CB 0.178 32.809 32.600 0.052 0.000 1.963 30 M HN 0.274 nan 8.290 nan 0.000 0.459 31 G N 2.223 111.149 108.800 0.210 0.000 2.176 31 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.232 31 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.232 31 G C 0.557 175.599 174.900 0.237 0.000 0.986 31 G CA 0.505 45.786 45.100 0.302 0.000 0.643 31 G HN 0.868 nan 8.290 nan 0.000 0.522 32 S N -0.853 114.996 115.700 0.247 0.000 2.528 32 S HA 0.223 4.693 4.470 -0.000 0.000 0.219 32 S C 1.132 175.934 174.600 0.337 0.000 0.985 32 S CA 1.019 59.433 58.200 0.357 0.000 0.914 32 S CB 0.232 63.757 63.200 0.542 0.000 0.776 32 S HN 0.515 nan 8.310 nan 0.000 0.526 33 Q N 2.062 121.993 119.800 0.218 0.000 3.247 33 Q HA 0.361 4.701 4.340 -0.000 0.000 0.326 33 Q C -1.014 175.080 176.000 0.157 0.000 1.402 33 Q CA -0.290 55.619 55.803 0.175 0.000 0.994 33 Q CB -0.083 28.676 28.738 0.036 0.000 1.647 33 Q HN 0.394 nan 8.270 nan 0.000 0.523 34 S N -0.107 115.718 115.700 0.209 0.000 2.566 34 S HA 0.644 5.114 4.470 -0.000 0.000 0.298 34 S C -0.324 174.379 174.600 0.172 0.000 1.083 34 S CA -0.739 57.581 58.200 0.200 0.000 0.978 34 S CB 1.921 65.277 63.200 0.260 0.000 1.073 34 S HN 0.531 nan 8.310 nan 0.000 0.491 35 T N -1.381 113.227 114.554 0.090 0.000 2.907 35 T HA 0.552 4.902 4.350 -0.000 0.000 0.290 35 T C 0.640 175.317 174.700 -0.038 0.000 1.066 35 T CA -0.778 61.287 62.100 -0.060 0.000 1.012 35 T CB 0.572 69.413 68.868 -0.045 0.000 1.184 35 T HN 0.332 nan 8.240 nan 0.000 0.522 36 F N 1.493 121.217 119.950 -0.377 0.000 2.115 36 F HA -0.093 4.434 4.527 -0.000 0.000 0.300 36 F C 2.092 177.918 175.800 0.042 0.000 1.092 36 F CA 2.021 59.899 58.000 -0.202 0.000 1.245 36 F CB -0.206 38.599 39.000 -0.324 0.000 0.995 36 F HN 0.743 nan 8.300 nan 0.000 0.481 37 E N -0.314 119.959 120.200 0.122 0.000 2.230 37 E HA 0.086 4.435 4.350 -0.000 0.000 0.192 37 E C -0.321 176.312 176.600 0.054 0.000 0.987 37 E CA 0.566 57.018 56.400 0.086 0.000 0.841 37 E CB 0.173 29.937 29.700 0.107 0.000 0.783 37 E HN 0.261 nan 8.360 nan 0.000 0.481 38 L N -0.075 121.179 121.223 0.051 0.000 2.476 38 L HA 0.369 4.708 4.340 -0.000 0.000 0.269 38 L C -1.034 175.883 176.870 0.079 0.000 0.965 38 L CA -0.476 54.405 54.840 0.068 0.000 0.845 38 L CB 2.142 44.227 42.059 0.045 0.000 1.259 38 L HN -0.188 nan 8.230 nan 0.000 0.403 39 S N 1.380 117.150 115.700 0.117 0.000 2.525 39 S HA 0.510 4.980 4.470 -0.000 0.000 0.278 39 S C 0.711 175.390 174.600 0.131 0.000 1.234 39 S CA 0.207 58.483 58.200 0.126 0.000 1.058 39 S CB 0.795 64.082 63.200 0.145 0.000 0.983 39 S HN 0.758 nan 8.310 nan 0.000 0.495 40 T N 1.096 115.734 114.554 0.141 0.000 3.228 40 T HA 0.556 4.906 4.350 -0.000 0.000 0.278 40 T C 1.033 175.876 174.700 0.238 0.000 1.014 40 T CA 0.221 62.410 62.100 0.149 0.000 0.904 40 T CB 0.194 69.126 68.868 0.106 0.000 1.110 40 T HN 1.070 nan 8.240 nan 0.000 0.541 41 G N 1.494 110.406 108.800 0.188 0.000 3.505 41 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.210 41 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.210 41 G C 0.125 175.047 174.900 0.037 0.000 1.047 41 G CA -0.204 44.958 45.100 0.104 0.000 0.884 41 G HN 0.348 nan 8.290 nan 0.000 0.434 42 N N 1.509 120.272 118.700 0.104 0.000 2.738 42 N HA -0.141 4.598 4.740 -0.000 0.000 0.249 42 N C 0.348 175.849 175.510 -0.016 0.000 1.047 42 N CA 1.907 54.980 53.050 0.039 0.000 0.707 42 N CB -1.568 36.910 38.487 -0.016 0.000 0.937 42 N HN 1.349 nan 8.380 nan 0.000 0.545 43 T N -2.588 111.999 114.554 0.055 0.000 2.938 43 T HA 0.786 5.136 4.350 -0.000 0.000 0.285 43 T C -0.047 174.725 174.700 0.121 0.000 1.028 43 T CA -0.767 61.334 62.100 0.001 0.000 1.005 43 T CB 2.111 70.981 68.868 0.002 0.000 1.157 43 T HN 0.238 nan 8.240 nan 0.000 0.550 44 Y N -2.364 117.997 120.300 0.102 0.000 2.602 44 Y HA 0.758 5.308 4.550 -0.000 0.000 0.342 44 Y C -3.105 172.793 175.900 -0.002 0.000 1.029 44 Y CA -3.620 54.527 58.100 0.078 0.000 1.080 44 Y CB 0.246 38.749 38.460 0.071 0.000 1.284 44 Y HN 0.358 nan 8.280 nan 0.000 0.485 45 P HA 0.211 nan 4.420 nan 0.000 0.267 45 P C -0.701 176.637 177.300 0.063 0.000 1.328 45 P CA 0.123 63.185 63.100 -0.063 0.000 0.990 45 P CB 0.112 31.644 31.700 -0.281 0.000 1.168 46 A N 5.982 128.813 122.820 0.018 0.000 2.544 46 A HA 0.248 4.568 4.320 -0.000 0.000 0.301 46 A C 0.353 177.904 177.584 -0.056 0.000 1.368 46 A CA -0.305 51.717 52.037 -0.026 0.000 1.045 46 A CB -0.679 18.099 19.000 -0.371 0.000 1.129 46 A HN 0.359 nan 8.150 nan 0.000 0.540 47 I N 2.223 122.791 120.570 -0.003 0.000 2.308 47 I HA 0.535 4.705 4.170 -0.000 0.000 0.293 47 I C 0.589 176.754 176.117 0.080 0.000 1.078 47 I CA 0.275 61.580 61.300 0.009 0.000 1.292 47 I CB -0.469 37.532 38.000 0.002 0.000 1.423 47 I HN 0.682 nan 8.210 nan 0.000 0.493 48 A N 7.237 130.124 122.820 0.112 0.000 2.566 48 A HA 0.707 5.026 4.320 -0.000 0.000 0.290 48 A C -0.439 177.378 177.584 0.389 0.000 1.071 48 A CA -0.879 51.262 52.037 0.173 0.000 0.658 48 A CB 1.631 20.511 19.000 -0.200 0.000 1.285 48 A HN 0.462 nan 8.150 nan 0.000 0.427 49 R N -0.167 120.490 120.500 0.261 0.000 2.577 49 R HA 0.472 4.812 4.340 -0.000 0.000 0.269 49 R C -2.620 173.594 176.300 -0.144 0.000 1.084 49 R CA -1.984 54.156 56.100 0.066 0.000 1.163 49 R CB -0.412 29.903 30.300 0.025 0.000 1.100 49 R HN 0.415 nan 8.270 nan 0.000 0.547 50 P HA -0.102 nan 4.420 nan 0.000 0.262 50 P C -0.296 176.865 177.300 -0.230 0.000 1.182 50 P CA 0.413 62.942 63.100 -0.952 0.000 0.761 50 P CB 0.187 31.131 31.700 -1.259 0.000 0.795 51 W N 0.398 121.709 121.300 0.017 0.000 4.650 51 W HA -0.158 4.502 4.660 -0.000 0.000 0.335 51 W C 0.710 177.338 176.519 0.181 0.000 1.222 51 W CA 0.909 58.338 57.345 0.140 0.000 0.807 51 W CB -2.452 27.109 29.460 0.168 0.000 2.290 51 W HN 0.479 nan 8.180 nan 0.000 1.514 52 G N 0.894 109.943 108.800 0.413 0.000 2.414 52 G HA2 0.188 4.148 3.960 -0.000 0.000 0.236 52 G HA3 0.188 4.148 3.960 -0.000 0.000 0.236 52 G C 0.835 175.915 174.900 0.299 0.000 1.293 52 G CA 0.273 45.599 45.100 0.376 0.000 0.869 52 G HN 0.287 nan 8.290 nan 0.000 0.556 53 M N 1.554 121.260 119.600 0.177 0.000 2.229 53 M HA 0.003 4.483 4.480 -0.000 0.000 0.264 53 M C 0.053 176.493 176.300 0.233 0.000 1.063 53 M CA 1.042 56.444 55.300 0.170 0.000 1.114 53 M CB 0.040 32.715 32.600 0.124 0.000 1.387 53 M HN 0.396 nan 8.290 nan 0.000 0.420 54 N N 0.277 119.091 118.700 0.190 0.000 2.399 54 N HA 0.292 5.032 4.740 -0.000 0.000 0.280 54 N C -1.619 173.979 175.510 0.147 0.000 1.008 54 N CA -0.315 52.736 53.050 0.003 0.000 0.894 54 N CB 1.226 39.766 38.487 0.087 0.000 1.273 54 N HN -0.010 nan 8.380 nan 0.000 0.486 55 F N 0.638 120.403 119.950 -0.307 0.000 2.399 55 F HA 0.493 5.020 4.527 -0.000 0.000 0.328 55 F C 0.112 175.677 175.800 -0.392 0.000 1.084 55 F CA -1.221 56.687 58.000 -0.153 0.000 1.053 55 F CB 0.623 39.603 39.000 -0.033 0.000 1.209 55 F HN 0.289 nan 8.300 nan 0.000 0.502 56 W N 0.307 121.667 121.300 0.100 0.000 2.736 56 W HA 0.584 5.243 4.660 -0.000 0.000 0.335 56 W C -0.202 176.281 176.519 -0.060 0.000 1.059 56 W CA -0.578 56.752 57.345 -0.024 0.000 1.226 56 W CB 2.108 31.540 29.460 -0.047 0.000 1.416 56 W HN 0.412 nan 8.180 nan 0.000 0.505 57 T N 3.562 118.171 114.554 0.090 0.000 2.923 57 T HA 0.488 4.837 4.350 -0.000 0.000 0.311 57 T C -2.841 171.786 174.700 -0.123 0.000 1.183 57 T CA -2.201 59.848 62.100 -0.086 0.000 1.020 57 T CB 1.433 70.234 68.868 -0.112 0.000 1.165 57 T HN 0.072 nan 8.240 nan 0.000 0.482 58 P HA 0.148 nan 4.420 nan 0.000 0.268 58 P C -1.175 176.045 177.300 -0.133 0.000 1.205 58 P CA -0.090 62.814 63.100 -0.328 0.000 0.771 58 P CB 0.437 31.939 31.700 -0.330 0.000 0.858 59 Q N 1.427 121.088 119.800 -0.231 0.000 2.348 59 Q HA 0.282 4.622 4.340 -0.000 0.000 0.265 59 Q C 0.684 176.604 176.000 -0.132 0.000 0.998 59 Q CA -0.388 55.348 55.803 -0.112 0.000 0.831 59 Q CB 0.985 29.656 28.738 -0.112 0.000 1.251 59 Q HN 0.523 nan 8.270 nan 0.000 0.456 60 T N -0.133 114.378 114.554 -0.071 0.000 3.033 60 T HA 0.236 4.586 4.350 -0.000 0.000 0.248 60 T C 0.960 175.603 174.700 -0.093 0.000 1.040 60 T CA 0.425 62.449 62.100 -0.126 0.000 1.133 60 T CB 0.021 68.773 68.868 -0.194 0.000 0.895 60 T HN 0.539 nan 8.240 nan 0.000 0.465 61 G N 1.692 110.467 108.800 -0.042 0.000 2.594 61 G HA2 0.388 4.348 3.960 -0.000 0.000 0.243 61 G HA3 0.388 4.348 3.960 -0.000 0.000 0.243 61 G C -0.506 174.364 174.900 -0.050 0.000 1.229 61 G CA -0.706 44.380 45.100 -0.022 0.000 0.843 61 G HN 0.500 nan 8.290 nan 0.000 0.578 62 K N 0.563 120.930 120.400 -0.056 0.000 2.258 62 K HA 0.115 4.435 4.320 -0.000 0.000 0.264 62 K C 0.869 177.414 176.600 -0.091 0.000 1.007 62 K CA -0.354 55.883 56.287 -0.084 0.000 0.941 62 K CB 0.889 33.342 32.500 -0.078 0.000 0.966 62 K HN 0.570 nan 8.250 nan 0.000 0.480 63 M N 1.512 121.007 119.600 -0.176 0.000 2.261 63 M HA -0.096 4.384 4.480 -0.000 0.000 0.350 63 M C 0.730 176.953 176.300 -0.128 0.000 1.343 63 M CA 2.003 57.139 55.300 -0.274 0.000 1.003 63 M CB -0.256 31.984 32.600 -0.601 0.000 1.848 63 M HN 0.979 nan 8.290 nan 0.000 0.456 64 G N 3.143 111.930 108.800 -0.020 0.000 2.234 64 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.235 64 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.235 64 G C -0.159 174.763 174.900 0.038 0.000 0.997 64 G CA 0.199 45.314 45.100 0.025 0.000 0.623 64 G HN 0.806 nan 8.290 nan 0.000 0.514 65 D N 1.450 121.872 120.400 0.036 0.000 2.343 65 D HA 0.459 5.099 4.640 -0.000 0.000 0.255 65 D C 1.750 178.101 176.300 0.084 0.000 1.187 65 D CA 0.708 54.759 54.000 0.085 0.000 0.875 65 D CB 0.709 41.560 40.800 0.085 0.000 1.136 65 D HN 0.261 nan 8.370 nan 0.000 0.469 66 G N 3.944 112.788 108.800 0.073 0.000 2.475 66 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.220 66 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.220 66 G C 0.690 175.418 174.900 -0.286 0.000 1.125 66 G CA 0.032 45.022 45.100 -0.183 0.000 0.755 66 G HN 0.595 nan 8.290 nan 0.000 0.565 67 W N 2.106 123.349 121.300 -0.095 0.000 2.072 67 W HA 0.244 4.904 4.660 -0.000 0.000 0.413 67 W C 1.421 177.928 176.519 -0.019 0.000 0.865 67 W CA -0.410 56.904 57.345 -0.050 0.000 1.579 67 W CB -0.020 29.402 29.460 -0.063 0.000 1.720 67 W HN 0.533 nan 8.180 nan 0.000 0.301 68 Q N 1.244 121.098 119.800 0.089 0.000 2.311 68 Q HA -0.125 4.215 4.340 -0.000 0.000 0.203 68 Q C -0.041 176.036 176.000 0.128 0.000 0.954 68 Q CA 1.034 56.865 55.803 0.046 0.000 0.885 68 Q CB 0.209 28.895 28.738 -0.086 0.000 0.963 68 Q HN 0.389 nan 8.270 nan 0.000 0.471 69 Y N 1.475 121.820 120.300 0.075 0.000 2.354 69 Y HA 0.383 4.933 4.550 -0.000 0.000 0.330 69 Y C -1.346 174.680 175.900 0.209 0.000 1.011 69 Y CA -0.639 57.533 58.100 0.119 0.000 1.099 69 Y CB 2.112 40.649 38.460 0.129 0.000 1.179 69 Y HN 0.087 nan 8.280 nan 0.000 0.442 70 T N 2.024 116.483 114.554 -0.159 0.000 2.861 70 T HA 0.175 4.525 4.350 -0.000 0.000 0.287 70 T C 0.150 174.804 174.700 -0.077 0.000 1.003 70 T CA -0.583 61.541 62.100 0.039 0.000 0.977 70 T CB 1.151 70.074 68.868 0.091 0.000 0.996 70 T HN 0.751 nan 8.240 nan 0.000 0.448 71 Y N 3.064 123.404 120.300 0.067 0.000 2.315 71 Y HA -0.117 4.433 4.550 -0.000 0.000 0.288 71 Y C 2.443 178.445 175.900 0.169 0.000 1.154 71 Y CA 2.232 60.414 58.100 0.137 0.000 1.229 71 Y CB -0.175 38.338 38.460 0.088 0.000 0.980 71 Y HN 0.864 nan 8.280 nan 0.000 0.540 72 T N -1.665 112.965 114.554 0.127 0.000 3.107 72 T HA 0.431 4.781 4.350 -0.000 0.000 0.249 72 T C 0.716 175.348 174.700 -0.114 0.000 1.096 72 T CA 0.152 62.272 62.100 0.033 0.000 1.012 72 T CB -0.434 68.471 68.868 0.061 0.000 0.977 72 T HN 0.329 nan 8.240 nan 0.000 0.527 73 A N 1.788 124.509 122.820 -0.165 0.000 2.407 73 A HA 0.475 4.795 4.320 -0.000 0.000 0.248 73 A C 1.110 178.474 177.584 -0.367 0.000 1.082 73 A CA -0.656 51.243 52.037 -0.229 0.000 0.785 73 A CB 0.281 19.162 19.000 -0.198 0.000 1.020 73 A HN 0.241 nan 8.150 nan 0.000 0.489 74 N N 0.236 118.640 118.700 -0.494 0.000 2.409 74 N HA 0.048 4.788 4.740 -0.000 0.000 0.174 74 N C -0.202 174.918 175.510 -0.649 0.000 1.037 74 N CA 0.931 53.461 53.050 -0.867 0.000 0.898 74 N CB 0.199 37.791 38.487 -1.492 0.000 1.010 74 N HN 0.620 nan 8.380 nan 0.000 0.445 75 K N 0.503 120.701 120.400 -0.337 0.000 2.371 75 K HA 0.489 4.809 4.320 -0.000 0.000 0.251 75 K C -0.676 175.891 176.600 -0.055 0.000 0.934 75 K CA -0.545 55.647 56.287 -0.158 0.000 0.798 75 K CB 2.640 34.969 32.500 -0.286 0.000 1.204 75 K HN -0.150 nan 8.250 nan 0.000 0.427 76 I N 3.128 123.637 120.570 -0.102 0.000 2.359 76 I HA 0.251 4.421 4.170 -0.000 0.000 0.294 76 I C 1.340 177.327 176.117 -0.217 0.000 0.987 76 I CA -0.369 60.765 61.300 -0.277 0.000 1.225 76 I CB 1.186 38.889 38.000 -0.495 0.000 1.366 76 I HN 0.649 nan 8.210 nan 0.000 0.466 77 R N 4.440 124.805 120.500 -0.225 0.000 2.437 77 R HA 0.507 4.847 4.340 -0.000 0.000 0.257 77 R C 0.140 176.333 176.300 -0.179 0.000 0.927 77 R CA -0.137 55.863 56.100 -0.167 0.000 1.078 77 R CB 0.860 31.074 30.300 -0.145 0.000 1.161 77 R HN 0.746 nan 8.270 nan 0.000 0.529 78 G N 0.570 109.192 108.800 -0.296 0.000 2.325 78 G HA2 0.339 4.299 3.960 -0.000 0.000 0.297 78 G HA3 0.339 4.299 3.960 -0.000 0.000 0.297 78 G C -1.919 172.703 174.900 -0.464 0.000 1.448 78 G CA -0.962 44.001 45.100 -0.228 0.000 0.838 78 G HN 0.041 nan 8.290 nan 0.000 0.579 79 F N 1.056 121.056 119.950 0.083 0.000 2.375 79 F HA 0.618 5.145 4.527 -0.000 0.000 0.361 79 F C 0.549 176.484 175.800 0.225 0.000 1.117 79 F CA -0.665 57.451 58.000 0.193 0.000 1.037 79 F CB 2.317 41.547 39.000 0.384 0.000 1.192 79 F HN 0.404 nan 8.300 nan 0.000 0.452 80 K N 3.032 123.538 120.400 0.176 0.000 2.164 80 K HA 0.325 4.645 4.320 -0.000 0.000 0.258 80 K C -0.721 175.503 176.600 -0.627 0.000 0.951 80 K CA -0.690 55.477 56.287 -0.200 0.000 0.844 80 K CB 1.407 33.773 32.500 -0.225 0.000 1.099 80 K HN 0.665 nan 8.250 nan 0.000 0.435 81 Q N 2.634 121.592 119.800 -1.403 0.000 2.294 81 Q HA 0.146 4.485 4.340 -0.000 0.000 0.257 81 Q C -1.218 174.136 176.000 -1.078 0.000 0.955 81 Q CA 0.032 54.704 55.803 -1.885 0.000 0.936 81 Q CB 1.482 28.929 28.738 -2.152 0.000 1.188 81 Q HN 0.669 nan 8.270 nan 0.000 0.420 82 T N 2.154 116.162 114.554 -0.910 0.000 2.906 82 T HA 0.420 4.770 4.350 -0.000 0.000 0.295 82 T C -0.715 173.509 174.700 -0.792 0.000 1.075 82 T CA -0.399 61.305 62.100 -0.660 0.000 1.005 82 T CB 0.945 69.513 68.868 -0.499 0.000 1.136 82 T HN 0.782 nan 8.240 nan 0.000 0.498 83 H N 0.340 119.196 119.070 -0.356 0.000 3.233 83 H HA 0.370 4.926 4.556 -0.000 0.000 0.263 83 H C 0.540 175.845 175.328 -0.039 0.000 1.168 83 H CA -0.372 55.462 56.048 -0.357 0.000 1.159 83 H CB 0.580 29.877 29.762 -0.774 0.000 1.593 83 H HN 0.399 nan 8.280 nan 0.000 0.580 84 Q N 3.593 123.457 119.800 0.107 0.000 2.247 84 Q HA -0.006 4.334 4.340 -0.000 0.000 0.288 84 Q C -1.534 174.715 176.000 0.416 0.000 1.079 84 Q CA -1.210 54.722 55.803 0.215 0.000 0.932 84 Q CB 0.959 29.747 28.738 0.083 0.000 1.133 84 Q HN 0.266 nan 8.270 nan 0.000 0.377 85 P HA 0.036 nan 4.420 nan 0.000 0.239 85 P C -0.302 176.978 177.300 -0.034 0.000 1.188 85 P CA 0.359 63.455 63.100 -0.006 0.000 0.794 85 P CB 0.691 32.472 31.700 0.136 0.000 0.937 86 S N -0.624 115.092 115.700 0.026 0.000 2.556 86 S HA 0.350 4.819 4.470 -0.000 0.000 0.280 86 S C -2.465 171.997 174.600 -0.230 0.000 1.141 86 S CA -1.142 57.027 58.200 -0.051 0.000 0.883 86 S CB 1.308 64.555 63.200 0.078 0.000 1.103 86 S HN -0.272 nan 8.310 nan 0.000 0.453 87 P HA -0.046 nan 4.420 nan 0.000 0.216 87 P C 0.939 177.771 177.300 -0.779 0.000 1.150 87 P CA 1.297 63.792 63.100 -1.009 0.000 0.837 87 P CB -0.166 30.221 31.700 -2.188 0.000 0.786 88 W N -0.083 121.048 121.300 -0.281 0.000 2.381 88 W HA -0.065 4.595 4.660 -0.000 0.000 0.301 88 W C 2.356 178.780 176.519 -0.159 0.000 1.205 88 W CA 0.019 57.280 57.345 -0.139 0.000 1.285 88 W CB -1.059 28.348 29.460 -0.088 0.000 1.133 88 W HN -0.166 nan 8.180 nan 0.000 0.521 89 I N -0.289 120.263 120.570 -0.030 0.000 2.500 89 I HA -0.124 4.046 4.170 -0.000 0.000 0.252 89 I C 1.240 177.307 176.117 -0.083 0.000 1.142 89 I CA 1.155 62.360 61.300 -0.158 0.000 1.451 89 I CB -1.525 36.282 38.000 -0.321 0.000 1.093 89 I HN 0.186 nan 8.210 nan 0.000 0.430 90 N N 0.821 119.478 118.700 -0.072 0.000 6.891 90 N HA -0.195 4.545 4.740 -0.000 0.000 0.420 90 N C -0.417 175.117 175.510 0.041 0.000 0.939 90 N CA 0.858 53.887 53.050 -0.035 0.000 1.300 90 N CB -0.406 38.074 38.487 -0.012 0.000 0.824 90 N HN 0.162 nan 8.380 nan 0.000 0.284 91 D N -0.764 119.673 120.400 0.061 0.000 2.392 91 D HA 0.734 5.373 4.640 -0.000 0.000 0.246 91 D C -0.749 175.671 176.300 0.200 0.000 1.013 91 D CA 0.096 54.146 54.000 0.084 0.000 0.993 91 D CB 0.911 41.706 40.800 -0.008 0.000 1.219 91 D HN 0.431 nan 8.370 nan 0.000 0.538 92 Y N -3.036 117.335 120.300 0.117 0.000 2.656 92 Y HA 0.481 5.031 4.550 -0.000 0.000 0.334 92 Y C 0.208 176.332 175.900 0.374 0.000 1.179 92 Y CA -1.061 57.131 58.100 0.153 0.000 1.050 92 Y CB 0.851 39.280 38.460 -0.052 0.000 1.308 92 Y HN 0.513 nan 8.280 nan 0.000 0.456 93 G N 2.044 111.210 108.800 0.611 0.000 2.350 93 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.298 93 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.298 93 G C -0.792 174.244 174.900 0.227 0.000 1.037 93 G CA 0.354 45.768 45.100 0.523 0.000 1.074 93 G HN 1.003 nan 8.290 nan 0.000 0.511 94 Q N -0.790 119.028 119.800 0.030 0.000 2.340 94 Q HA 0.838 5.178 4.340 -0.000 0.000 0.268 94 Q C -0.350 175.272 176.000 -0.631 0.000 1.031 94 Q CA -1.249 54.320 55.803 -0.390 0.000 0.804 94 Q CB 2.068 30.518 28.738 -0.480 0.000 1.286 94 Q HN 1.008 nan 8.270 nan 0.000 0.448 95 F N -0.921 118.523 119.950 -0.844 0.000 2.711 95 F HA 0.838 5.364 4.527 -0.000 0.000 0.313 95 F C -1.219 174.304 175.800 -0.461 0.000 1.141 95 F CA -0.843 56.694 58.000 -0.770 0.000 0.941 95 F CB 1.431 40.100 39.000 -0.551 0.000 1.349 95 F HN 0.696 nan 8.300 nan 0.000 0.464 96 S N 1.467 117.137 115.700 -0.051 0.000 2.661 96 S HA 0.853 5.322 4.470 -0.000 0.000 0.285 96 S C -1.566 173.134 174.600 0.168 0.000 1.138 96 S CA -0.758 57.455 58.200 0.021 0.000 0.855 96 S CB 2.068 65.364 63.200 0.159 0.000 1.136 96 S HN 1.156 nan 8.310 nan 0.000 0.484 97 I N 1.026 121.686 120.570 0.151 0.000 2.686 97 I HA 0.746 4.916 4.170 -0.000 0.000 0.295 97 I C -1.978 174.225 176.117 0.143 0.000 1.114 97 I CA -1.139 60.228 61.300 0.111 0.000 1.038 97 I CB 2.133 40.111 38.000 -0.037 0.000 1.238 97 I HN 0.896 nan 8.210 nan 0.000 0.420 98 M N 10.527 130.160 119.600 0.054 0.000 2.234 98 M HA 0.545 5.025 4.480 -0.000 0.000 0.267 98 M C -2.959 173.251 176.300 -0.150 0.000 1.022 98 M CA -1.702 53.623 55.300 0.041 0.000 0.993 98 M CB 2.337 34.933 32.600 -0.006 0.000 1.836 98 M HN 0.135 nan 8.290 nan 0.000 0.479 99 P HA 0.617 nan 4.420 nan 0.000 0.286 99 P C -1.108 175.968 177.300 -0.374 0.000 1.261 99 P CA -0.331 62.495 63.100 -0.456 0.000 0.821 99 P CB 1.027 32.178 31.700 -0.916 0.000 1.013 100 I N -1.128 119.261 120.570 -0.302 0.000 3.352 100 I HA 0.759 4.928 4.170 -0.000 0.000 0.316 100 I C -1.595 174.450 176.117 -0.120 0.000 1.214 100 I CA -1.394 59.511 61.300 -0.658 0.000 0.934 100 I CB 2.169 39.837 38.000 -0.552 0.000 1.310 100 I HN 0.061 nan 8.210 nan 0.000 0.475 101 V N 0.765 120.652 119.914 -0.045 0.000 3.012 101 V HA 0.825 4.945 4.120 -0.000 0.000 0.307 101 V C 0.473 176.707 176.094 0.234 0.000 1.166 101 V CA 0.681 63.097 62.300 0.194 0.000 0.974 101 V CB 1.307 33.275 31.823 0.241 0.000 1.040 101 V HN 1.471 nan 8.190 nan 0.000 0.428 102 G N 3.597 112.546 108.800 0.249 0.000 2.848 102 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.246 102 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.246 102 G C -0.451 174.535 174.900 0.144 0.000 1.374 102 G CA -0.159 45.055 45.100 0.190 0.000 0.982 102 G HN 0.676 nan 8.290 nan 0.000 0.563 103 Q N 2.607 122.416 119.800 0.015 0.000 2.327 103 Q HA 0.439 4.779 4.340 -0.000 0.000 0.254 103 Q C -2.145 173.664 176.000 -0.319 0.000 0.952 103 Q CA -1.503 54.219 55.803 -0.135 0.000 0.884 103 Q CB 1.159 29.832 28.738 -0.108 0.000 1.224 103 Q HN 0.484 nan 8.270 nan 0.000 0.422 104 P HA 0.066 nan 4.420 nan 0.000 0.277 104 P C -0.649 176.404 177.300 -0.411 0.000 1.354 104 P CA -0.121 62.397 63.100 -0.970 0.000 0.891 104 P CB 0.267 31.160 31.700 -1.344 0.000 1.058 105 V N 1.654 121.411 119.914 -0.262 0.000 2.656 105 V HA 0.465 4.585 4.120 -0.000 0.000 0.307 105 V C 0.071 176.141 176.094 -0.039 0.000 1.051 105 V CA -0.687 61.547 62.300 -0.110 0.000 0.893 105 V CB 1.786 33.562 31.823 -0.079 0.000 0.999 105 V HN 0.303 nan 8.190 nan 0.000 0.426 106 F N 2.524 122.396 119.950 -0.130 0.000 2.505 106 F HA 0.316 4.843 4.527 -0.000 0.000 0.289 106 F C 1.282 177.024 175.800 -0.097 0.000 1.101 106 F CA 0.294 58.225 58.000 -0.114 0.000 1.446 106 F CB 0.241 39.163 39.000 -0.130 0.000 1.123 106 F HN 0.827 nan 8.300 nan 0.000 0.564 107 D N 2.307 122.683 120.400 -0.039 0.000 2.648 107 D HA -0.178 4.462 4.640 -0.000 0.000 0.229 107 D C 1.044 177.217 176.300 -0.211 0.000 1.119 107 D CA 0.807 54.745 54.000 -0.103 0.000 0.850 107 D CB 0.843 41.621 40.800 -0.037 0.000 1.169 107 D HN 0.704 nan 8.370 nan 0.000 0.489 108 E N 2.352 122.417 120.200 -0.225 0.000 2.418 108 E HA -0.136 4.214 4.350 -0.000 0.000 0.197 108 E C 0.813 177.328 176.600 -0.141 0.000 1.026 108 E CA 0.823 57.092 56.400 -0.218 0.000 0.862 108 E CB 0.081 29.654 29.700 -0.212 0.000 0.799 108 E HN 0.591 nan 8.360 nan 0.000 0.518 109 E N 1.249 121.387 120.200 -0.105 0.000 2.132 109 E HA 0.020 4.370 4.350 -0.000 0.000 0.193 109 E C 1.845 178.411 176.600 -0.057 0.000 0.951 109 E CA 0.174 56.526 56.400 -0.079 0.000 0.843 109 E CB 0.074 29.735 29.700 -0.066 0.000 0.807 109 E HN 0.154 nan 8.360 nan 0.000 0.467 110 K N 1.292 121.662 120.400 -0.050 0.000 2.209 110 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 110 K C 2.257 178.857 176.600 -0.000 0.000 1.048 110 K CA 1.204 57.476 56.287 -0.025 0.000 0.940 110 K CB -0.115 32.368 32.500 -0.028 0.000 0.729 110 K HN 0.094 nan 8.250 nan 0.000 0.451 111 R N 0.529 121.016 120.500 -0.023 0.000 2.276 111 R HA 0.198 4.538 4.340 -0.000 0.000 0.196 111 R C 0.570 176.941 176.300 0.120 0.000 0.961 111 R CA 0.186 56.307 56.100 0.035 0.000 1.024 111 R CB 0.033 30.291 30.300 -0.071 0.000 0.940 111 R HN -0.085 nan 8.270 nan 0.000 0.480 112 A N 1.486 124.316 122.820 0.017 0.000 2.425 112 A HA 0.287 4.607 4.320 -0.000 0.000 0.242 112 A C -0.231 177.347 177.584 -0.011 0.000 1.077 112 A CA 0.017 52.046 52.037 -0.014 0.000 0.781 112 A CB 0.748 19.702 19.000 -0.076 0.000 1.020 112 A HN 0.366 nan 8.150 nan 0.000 0.494 113 S N 0.481 116.168 115.700 -0.021 0.000 2.526 113 S HA 0.523 4.993 4.470 -0.000 0.000 0.293 113 S C -0.801 173.841 174.600 0.071 0.000 1.092 113 S CA -0.557 57.621 58.200 -0.037 0.000 0.980 113 S CB 0.320 63.477 63.200 -0.071 0.000 1.048 113 S HN 0.575 nan 8.310 nan 0.000 0.483 114 W N 4.037 125.319 121.300 -0.030 0.000 2.187 114 W HA 0.375 5.035 4.660 -0.000 0.000 0.348 114 W C 0.177 176.789 176.519 0.155 0.000 1.282 114 W CA 0.598 57.960 57.345 0.028 0.000 1.271 114 W CB 0.362 29.800 29.460 -0.037 0.000 1.170 114 W HN 0.594 nan 8.180 nan 0.000 0.583 115 F N 0.427 120.485 119.950 0.180 0.000 2.779 115 F HA 0.847 5.374 4.527 -0.000 0.000 0.316 115 F C -1.317 174.527 175.800 0.075 0.000 1.164 115 F CA -1.843 56.228 58.000 0.119 0.000 0.924 115 F CB 0.542 39.564 39.000 0.038 0.000 1.348 115 F HN 0.458 nan 8.300 nan 0.000 0.467 116 A N 0.191 122.874 122.820 -0.229 0.000 2.539 116 A HA 0.556 4.876 4.320 -0.000 0.000 0.296 116 A C -0.190 177.259 177.584 -0.225 0.000 1.073 116 A CA -0.699 51.063 52.037 -0.458 0.000 0.700 116 A CB 0.668 19.601 19.000 -0.112 0.000 1.296 116 A HN 0.985 nan 8.150 nan 0.000 0.405 117 H N 0.912 119.913 119.070 -0.114 0.000 2.456 117 H HA -0.058 4.498 4.556 -0.000 0.000 0.296 117 H C 0.927 176.333 175.328 0.131 0.000 1.079 117 H CA 1.773 57.874 56.048 0.088 0.000 1.322 117 H CB 0.216 30.001 29.762 0.038 0.000 1.388 117 H HN 0.656 nan 8.280 nan 0.000 0.538 118 K N 0.253 120.758 120.400 0.175 0.000 2.504 118 K HA 0.004 4.324 4.320 -0.000 0.000 0.195 118 K C 1.623 178.293 176.600 0.116 0.000 1.036 118 K CA 0.575 56.941 56.287 0.132 0.000 0.984 118 K CB 0.339 32.895 32.500 0.092 0.000 0.788 118 K HN 0.185 nan 8.250 nan 0.000 0.488 119 G N 0.911 109.802 108.800 0.153 0.000 3.453 119 G HA2 -0.017 3.942 3.960 -0.000 0.000 0.263 119 G HA3 -0.017 3.942 3.960 -0.000 0.000 0.263 119 G C -0.381 174.633 174.900 0.190 0.000 1.060 119 G CA -0.202 45.002 45.100 0.173 0.000 0.793 119 G HN 0.148 nan 8.290 nan 0.000 0.532 120 E N 0.355 120.659 120.200 0.174 0.000 2.266 120 E HA 0.551 4.901 4.350 -0.000 0.000 0.268 120 E C -1.665 174.935 176.600 0.000 0.000 0.879 120 E CA -0.561 55.893 56.400 0.090 0.000 0.762 120 E CB 2.716 32.591 29.700 0.293 0.000 1.199 120 E HN -0.118 nan 8.360 nan 0.000 0.422 121 V N 2.597 122.393 119.914 -0.197 0.000 2.443 121 V HA 0.609 4.729 4.120 -0.000 0.000 0.293 121 V C -0.618 175.305 176.094 -0.284 0.000 1.021 121 V CA -0.621 61.594 62.300 -0.141 0.000 0.848 121 V CB 1.267 33.064 31.823 -0.043 0.000 0.998 121 V HN 0.742 nan 8.190 nan 0.000 0.424 122 A N 3.797 126.551 122.820 -0.109 0.000 2.273 122 A HA 0.897 5.217 4.320 -0.000 0.000 0.315 122 A C 0.107 177.615 177.584 -0.128 0.000 1.256 122 A CA -0.249 51.771 52.037 -0.028 0.000 0.851 122 A CB 1.170 20.258 19.000 0.146 0.000 1.172 122 A HN 0.931 nan 8.150 nan 0.000 0.508 123 T N -0.186 114.223 114.554 -0.241 0.000 2.901 123 T HA 0.678 5.028 4.350 -0.000 0.000 0.293 123 T C -2.471 171.926 174.700 -0.505 0.000 1.084 123 T CA -1.817 60.012 62.100 -0.451 0.000 1.008 123 T CB 1.733 70.141 68.868 -0.765 0.000 1.170 123 T HN 0.107 nan 8.240 nan 0.000 0.509 124 P HA -0.041 nan 4.420 nan 0.000 0.218 124 P C 0.849 178.042 177.300 -0.177 0.000 1.148 124 P CA 1.188 63.922 63.100 -0.611 0.000 0.822 124 P CB -0.286 30.614 31.700 -1.334 0.000 0.784 125 Y N -4.433 115.837 120.300 -0.049 0.000 2.444 125 Y HA 0.448 4.998 4.550 -0.000 0.000 0.249 125 Y C 0.221 176.213 175.900 0.153 0.000 1.134 125 Y CA -1.083 57.094 58.100 0.128 0.000 1.261 125 Y CB -0.257 38.307 38.460 0.173 0.000 1.143 125 Y HN -0.151 nan 8.280 nan 0.000 0.523 126 Y N 0.544 120.575 120.300 -0.449 0.000 2.436 126 Y HA 0.479 5.029 4.550 -0.000 0.000 0.327 126 Y C -2.381 173.395 175.900 -0.206 0.000 1.138 126 Y CA -2.306 55.618 58.100 -0.294 0.000 1.042 126 Y CB 1.163 39.431 38.460 -0.320 0.000 1.302 126 Y HN 0.046 nan 8.280 nan 0.000 0.439 127 Y N 6.317 126.122 120.300 -0.825 0.000 2.406 127 Y HA 0.624 5.174 4.550 -0.000 0.000 0.340 127 Y C -1.490 173.965 175.900 -0.741 0.000 0.975 127 Y CA -0.837 56.889 58.100 -0.623 0.000 1.056 127 Y CB 1.468 39.746 38.460 -0.304 0.000 1.210 127 Y HN 0.685 nan 8.280 nan 0.000 0.448 128 K N 5.408 125.139 120.400 -1.116 0.000 2.464 128 K HA 0.802 5.121 4.320 -0.000 0.000 0.253 128 K C -2.398 173.885 176.600 -0.528 0.000 0.933 128 K CA -0.859 55.037 56.287 -0.652 0.000 0.801 128 K CB 2.282 34.553 32.500 -0.381 0.000 1.271 128 K HN 0.558 nan 8.250 nan 0.000 0.430 129 V N 4.222 124.046 119.914 -0.150 0.000 3.048 129 V HA 0.394 4.514 4.120 -0.000 0.000 0.303 129 V C -2.122 174.091 176.094 0.199 0.000 1.214 129 V CA -0.728 61.601 62.300 0.047 0.000 0.984 129 V CB 1.836 33.746 31.823 0.146 0.000 1.054 129 V HN 0.805 nan 8.190 nan 0.000 0.430 130 Y N 6.176 126.551 120.300 0.126 0.000 2.367 130 Y HA 0.644 5.194 4.550 -0.000 0.000 0.342 130 Y C -0.351 175.666 175.900 0.194 0.000 0.979 130 Y CA -0.689 57.494 58.100 0.138 0.000 1.161 130 Y CB 1.217 39.744 38.460 0.111 0.000 1.155 130 Y HN 0.605 nan 8.280 nan 0.000 0.503 131 L N 7.777 128.820 121.223 -0.299 0.000 2.312 131 L HA 0.334 4.674 4.340 -0.000 0.000 0.287 131 L C 1.227 177.807 176.870 -0.485 0.000 1.091 131 L CA -0.124 54.602 54.840 -0.190 0.000 0.846 131 L CB 0.762 42.835 42.059 0.023 0.000 1.219 131 L HN 0.924 nan 8.230 nan 0.000 0.439 132 A N 2.559 125.226 122.820 -0.255 0.000 2.015 132 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 132 A C 1.909 179.424 177.584 -0.115 0.000 1.163 132 A CA 1.168 53.107 52.037 -0.163 0.000 0.646 132 A CB -0.148 18.935 19.000 0.137 0.000 0.806 132 A HN 0.810 nan 8.150 nan 0.000 0.448 133 E N -1.394 118.711 120.200 -0.159 0.000 2.442 133 E HA -0.034 4.316 4.350 -0.000 0.000 0.195 133 E C 0.844 177.246 176.600 -0.329 0.000 1.030 133 E CA 0.350 56.610 56.400 -0.233 0.000 0.869 133 E CB 0.046 29.587 29.700 -0.264 0.000 0.857 133 E HN 0.704 nan 8.360 nan 0.000 0.505 134 H N -0.509 118.531 119.070 -0.049 0.000 2.874 134 H HA 0.043 4.599 4.556 -0.000 0.000 0.264 134 H C 0.093 175.401 175.328 -0.032 0.000 1.007 134 H CA 0.346 56.381 56.048 -0.022 0.000 1.207 134 H CB 0.672 30.418 29.762 -0.027 0.000 1.487 134 H HN 0.054 nan 8.280 nan 0.000 0.505 135 D N 0.857 121.227 120.400 -0.049 0.000 2.723 135 D HA -0.173 4.467 4.640 -0.000 0.000 0.236 135 D C -0.675 175.653 176.300 0.046 0.000 1.138 135 D CA 0.309 54.319 54.000 0.017 0.000 0.676 135 D CB -1.629 39.273 40.800 0.170 0.000 1.069 135 D HN 0.399 nan 8.370 nan 0.000 0.430 136 I N -0.168 120.329 120.570 -0.122 0.000 2.545 136 I HA 0.379 4.549 4.170 -0.000 0.000 0.292 136 I C 0.269 176.377 176.117 -0.015 0.000 1.040 136 I CA -1.254 60.002 61.300 -0.074 0.000 1.068 136 I CB 2.171 40.059 38.000 -0.186 0.000 1.251 136 I HN -0.230 nan 8.210 nan 0.000 0.424 137 V N 4.587 124.559 119.914 0.096 0.000 2.394 137 V HA 0.383 4.503 4.120 -0.000 0.000 0.282 137 V C 0.066 176.210 176.094 0.084 0.000 1.031 137 V CA -0.231 62.160 62.300 0.152 0.000 0.881 137 V CB 1.685 33.615 31.823 0.179 0.000 0.982 137 V HN 0.731 nan 8.190 nan 0.000 0.451 138 T N 5.395 119.988 114.554 0.066 0.000 2.797 138 T HA 0.544 4.894 4.350 -0.000 0.000 0.279 138 T C -0.570 174.026 174.700 -0.174 0.000 0.991 138 T CA -0.578 61.499 62.100 -0.039 0.000 0.979 138 T CB 1.016 69.755 68.868 -0.214 0.000 0.943 138 T HN 0.777 nan 8.240 nan 0.000 0.444 139 E N 3.287 123.325 120.200 -0.270 0.000 2.266 139 E HA 0.672 5.021 4.350 -0.000 0.000 0.268 139 E C -0.575 175.714 176.600 -0.519 0.000 0.879 139 E CA -0.957 55.221 56.400 -0.369 0.000 0.762 139 E CB 2.322 31.884 29.700 -0.231 0.000 1.199 139 E HN 0.616 nan 8.360 nan 0.000 0.422 140 M N -0.333 118.904 119.600 -0.605 0.000 2.457 140 M HA 0.628 5.108 4.480 -0.000 0.000 0.300 140 M C -1.110 174.906 176.300 -0.474 0.000 1.141 140 M CA -0.786 54.031 55.300 -0.806 0.000 0.901 140 M CB 2.202 34.007 32.600 -1.324 0.000 1.687 140 M HN 0.417 nan 8.290 nan 0.000 0.449 141 T N 0.389 114.714 114.554 -0.382 0.000 2.879 141 T HA 0.801 5.151 4.350 -0.000 0.000 0.290 141 T C -3.113 171.481 174.700 -0.177 0.000 0.993 141 T CA -1.370 60.645 62.100 -0.141 0.000 0.975 141 T CB 1.888 70.764 68.868 0.013 0.000 0.981 141 T HN 0.597 nan 8.240 nan 0.000 0.439 142 P HA 0.566 nan 4.420 nan 0.000 0.287 142 P C -0.341 177.006 177.300 0.077 0.000 1.292 142 P CA -0.429 62.657 63.100 -0.022 0.000 0.879 142 P CB 1.994 33.751 31.700 0.094 0.000 1.214 143 T N -3.564 111.049 114.554 0.098 0.000 2.804 143 T HA 0.339 4.688 4.350 -0.000 0.000 0.272 143 T C 1.179 175.971 174.700 0.153 0.000 0.986 143 T CA -0.463 61.703 62.100 0.110 0.000 0.999 143 T CB 0.501 69.419 68.868 0.084 0.000 1.307 143 T HN 0.304 nan 8.240 nan 0.000 0.586 144 E N 0.129 120.407 120.200 0.130 0.000 2.110 144 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 144 E C 1.967 178.669 176.600 0.171 0.000 0.988 144 E CA 1.083 57.569 56.400 0.144 0.000 0.804 144 E CB -0.008 29.747 29.700 0.092 0.000 0.745 144 E HN 0.465 nan 8.360 nan 0.000 0.458 145 R N -1.227 119.367 120.500 0.158 0.000 2.487 145 R HA 0.325 4.665 4.340 -0.000 0.000 0.272 145 R C 0.006 176.445 176.300 0.231 0.000 0.928 145 R CA 0.008 56.215 56.100 0.179 0.000 1.077 145 R CB 1.464 31.836 30.300 0.120 0.000 1.265 145 R HN -0.046 nan 8.270 nan 0.000 0.537 146 A N 0.379 123.321 122.820 0.203 0.000 2.437 146 A HA 0.828 5.147 4.320 -0.000 0.000 0.288 146 A C -1.310 176.333 177.584 0.099 0.000 1.201 146 A CA -0.634 51.514 52.037 0.184 0.000 0.795 146 A CB 2.058 21.128 19.000 0.117 0.000 1.359 146 A HN -0.057 nan 8.150 nan 0.000 0.435 147 V N -0.489 119.399 119.914 -0.043 0.000 3.147 147 V HA 0.625 4.745 4.120 -0.000 0.000 0.299 147 V C -2.137 173.783 176.094 -0.290 0.000 1.302 147 V CA -0.521 61.595 62.300 -0.306 0.000 1.015 147 V CB 2.034 33.329 31.823 -0.881 0.000 1.086 147 V HN 1.167 nan 8.190 nan 0.000 0.437 148 L N 5.032 126.042 121.223 -0.354 0.000 2.333 148 L HA 0.736 5.076 4.340 -0.000 0.000 0.280 148 L C -1.266 175.312 176.870 -0.487 0.000 1.004 148 L CA 0.146 54.819 54.840 -0.279 0.000 0.820 148 L CB 1.365 43.323 42.059 -0.168 0.000 1.247 148 L HN 0.568 nan 8.230 nan 0.000 0.416 149 F N 4.074 123.770 119.950 -0.422 0.000 2.422 149 F HA 0.625 5.152 4.527 -0.000 0.000 0.333 149 F C 0.289 175.717 175.800 -0.619 0.000 1.095 149 F CA -0.364 57.258 58.000 -0.631 0.000 1.038 149 F CB 1.470 39.955 39.000 -0.858 0.000 1.156 149 F HN 0.388 nan 8.300 nan 0.000 0.483 150 R N 3.539 123.753 120.500 -0.477 0.000 2.451 150 R HA 0.482 4.822 4.340 -0.000 0.000 0.307 150 R C -1.993 174.078 176.300 -0.381 0.000 0.965 150 R CA -0.466 55.435 56.100 -0.331 0.000 0.865 150 R CB 0.700 30.918 30.300 -0.137 0.000 1.174 150 R HN 0.565 nan 8.270 nan 0.000 0.455 151 F N 2.330 122.324 119.950 0.072 0.000 2.404 151 F HA 0.310 4.836 4.527 -0.000 0.000 0.354 151 F C 0.409 176.186 175.800 -0.038 0.000 1.122 151 F CA -0.763 57.200 58.000 -0.062 0.000 1.080 151 F CB 2.311 41.237 39.000 -0.124 0.000 1.131 151 F HN 0.279 nan 8.300 nan 0.000 0.471 152 T N 4.808 119.411 114.554 0.082 0.000 2.762 152 T HA 0.357 4.707 4.350 -0.000 0.000 0.303 152 T C -0.376 174.360 174.700 0.060 0.000 0.977 152 T CA -0.282 61.886 62.100 0.112 0.000 0.961 152 T CB -0.154 68.778 68.868 0.107 0.000 0.944 152 T HN 0.179 nan 8.240 nan 0.000 0.481 153 F N 5.256 125.297 119.950 0.153 0.000 2.378 153 F HA 0.461 4.988 4.527 -0.000 0.000 0.325 153 F C -1.552 174.312 175.800 0.107 0.000 1.097 153 F CA -2.047 56.031 58.000 0.131 0.000 1.079 153 F CB 1.037 40.108 39.000 0.118 0.000 1.240 153 F HN 0.330 nan 8.300 nan 0.000 0.519 154 P HA 0.109 nan 4.420 nan 0.000 0.284 154 P C -1.404 176.001 177.300 0.175 0.000 1.292 154 P CA -0.636 62.592 63.100 0.212 0.000 0.800 154 P CB 0.627 32.442 31.700 0.191 0.000 1.188 155 E N 1.107 121.374 120.200 0.112 0.000 2.265 155 E HA 0.128 4.478 4.350 -0.000 0.000 0.272 155 E C -0.562 176.069 176.600 0.052 0.000 1.067 155 E CA -0.113 56.326 56.400 0.065 0.000 0.900 155 E CB -0.215 29.512 29.700 0.045 0.000 1.017 155 E HN 0.252 nan 8.360 nan 0.000 0.431 156 N N 3.545 122.252 118.700 0.012 0.000 2.504 156 N HA 0.066 4.805 4.740 -0.000 0.000 0.268 156 N C -0.916 174.514 175.510 -0.134 0.000 1.184 156 N CA -0.504 52.533 53.050 -0.022 0.000 0.875 156 N CB 1.839 40.348 38.487 0.037 0.000 1.630 156 N HN 0.438 nan 8.380 nan 0.000 0.486 157 D N -0.292 119.962 120.400 -0.244 0.000 2.347 157 D HA 0.045 4.685 4.640 -0.000 0.000 0.213 157 D C -0.372 175.463 176.300 -0.775 0.000 0.985 157 D CA 1.109 54.814 54.000 -0.491 0.000 0.879 157 D CB 0.186 40.629 40.800 -0.596 0.000 0.919 157 D HN 0.370 nan 8.370 nan 0.000 0.526 158 H N -0.093 118.864 119.070 -0.187 0.000 2.569 158 H HA 0.362 4.917 4.556 -0.000 0.000 0.247 158 H C -0.490 174.511 175.328 -0.545 0.000 1.346 158 H CA -0.282 55.517 56.048 -0.415 0.000 1.502 158 H CB 0.351 30.031 29.762 -0.136 0.000 1.512 158 H HN -0.214 nan 8.280 nan 0.000 0.502 159 S N 2.201 117.534 115.700 -0.612 0.000 2.489 159 S HA 0.583 5.053 4.470 -0.000 0.000 0.291 159 S C -0.568 173.454 174.600 -0.963 0.000 1.151 159 S CA -0.521 57.362 58.200 -0.528 0.000 1.082 159 S CB 1.054 63.878 63.200 -0.626 0.000 1.019 159 S HN 0.348 nan 8.310 nan 0.000 0.492 160 Y N -0.034 120.100 120.300 -0.277 0.000 2.605 160 Y HA 0.670 5.220 4.550 -0.000 0.000 0.343 160 Y C -0.417 175.334 175.900 -0.249 0.000 1.036 160 Y CA -1.162 56.690 58.100 -0.413 0.000 1.065 160 Y CB 1.382 39.638 38.460 -0.340 0.000 1.288 160 Y HN 0.317 nan 8.280 nan 0.000 0.481 161 V N 2.353 122.186 119.914 -0.134 0.000 2.483 161 V HA 0.443 4.563 4.120 -0.000 0.000 0.297 161 V C -0.857 175.214 176.094 -0.039 0.000 1.027 161 V CA -0.889 61.353 62.300 -0.097 0.000 0.855 161 V CB 1.665 33.471 31.823 -0.029 0.000 0.995 161 V HN 0.541 nan 8.190 nan 0.000 0.424 162 V N 5.564 125.469 119.914 -0.015 0.000 2.481 162 V HA 0.507 4.627 4.120 -0.000 0.000 0.286 162 V C -0.121 176.049 176.094 0.127 0.000 1.042 162 V CA -0.470 61.863 62.300 0.055 0.000 0.928 162 V CB 1.868 33.686 31.823 -0.007 0.000 0.986 162 V HN 0.598 nan 8.190 nan 0.000 0.462 163 V N 3.701 123.746 119.914 0.218 0.000 2.448 163 V HA 0.456 4.576 4.120 -0.000 0.000 0.295 163 V C -0.662 175.666 176.094 0.391 0.000 1.025 163 V CA -0.501 61.962 62.300 0.273 0.000 0.859 163 V CB 1.909 33.900 31.823 0.280 0.000 0.988 163 V HN 0.891 nan 8.190 nan 0.000 0.431 164 D N 3.617 124.256 120.400 0.399 0.000 2.425 164 D HA 0.558 5.198 4.640 -0.000 0.000 0.240 164 D C 0.475 177.133 176.300 0.596 0.000 1.080 164 D CA -0.324 54.015 54.000 0.566 0.000 0.836 164 D CB 2.295 43.340 40.800 0.408 0.000 1.125 164 D HN 0.562 nan 8.370 nan 0.000 0.525 165 A N 3.788 126.967 122.820 0.598 0.000 2.251 165 A HA 0.293 4.613 4.320 -0.000 0.000 0.209 165 A C 0.349 178.274 177.584 0.569 0.000 1.187 165 A CA 0.017 52.361 52.037 0.513 0.000 0.823 165 A CB -0.426 18.823 19.000 0.415 0.000 0.846 165 A HN 0.557 nan 8.150 nan 0.000 0.486 166 F N -0.779 119.292 119.950 0.202 0.000 2.183 166 F HA -0.177 4.350 4.527 -0.000 0.000 0.318 166 F C 0.465 176.023 175.800 -0.402 0.000 0.517 166 F CA 0.462 58.373 58.000 -0.148 0.000 0.912 166 F CB -0.960 38.044 39.000 0.008 0.000 4.135 166 F HN 0.552 nan 8.300 nan 0.000 0.137 167 D N 0.147 120.345 120.400 -0.336 0.000 2.541 167 D HA 0.451 5.091 4.640 -0.000 0.000 0.276 167 D C 0.038 176.361 176.300 0.039 0.000 1.190 167 D CA 0.104 53.972 54.000 -0.220 0.000 1.095 167 D CB 0.354 41.016 40.800 -0.231 0.000 1.173 167 D HN 0.448 nan 8.370 nan 0.000 0.604 168 K N -1.268 119.170 120.400 0.063 0.000 3.230 168 K HA -0.013 4.307 4.320 -0.000 0.000 0.285 168 K C 0.331 177.013 176.600 0.136 0.000 1.196 168 K CA 1.040 57.388 56.287 0.102 0.000 0.838 168 K CB -2.269 30.300 32.500 0.115 0.000 1.262 168 K HN 1.409 nan 8.250 nan 0.000 0.492 169 G N 0.006 108.891 108.800 0.141 0.000 3.251 169 G HA2 0.022 3.982 3.960 -0.000 0.000 0.680 169 G HA3 0.022 3.982 3.960 -0.000 0.000 0.680 169 G C -0.214 174.816 174.900 0.216 0.000 1.129 169 G CA 0.171 45.373 45.100 0.170 0.000 0.994 169 G HN 0.998 nan 8.290 nan 0.000 0.450 170 S N 1.190 116.984 115.700 0.156 0.000 2.705 170 S HA 0.907 5.377 4.470 -0.000 0.000 0.280 170 S C -0.948 173.558 174.600 -0.156 0.000 1.174 170 S CA -0.722 57.516 58.200 0.063 0.000 0.823 170 S CB 2.783 66.073 63.200 0.151 0.000 1.162 170 S HN 2.124 nan 8.310 nan 0.000 0.487 171 Y N -0.197 119.737 120.300 -0.611 0.000 2.519 171 Y HA 0.802 5.352 4.550 -0.000 0.000 0.336 171 Y C -2.064 173.610 175.900 -0.377 0.000 1.089 171 Y CA -0.966 56.764 58.100 -0.616 0.000 1.025 171 Y CB 1.326 39.092 38.460 -1.157 0.000 1.318 171 Y HN 0.974 nan 8.280 nan 0.000 0.452 172 I N 5.175 125.114 120.570 -1.052 0.000 2.802 172 I HA 0.600 4.770 4.170 -0.000 0.000 0.298 172 I C -1.860 173.747 176.117 -0.850 0.000 1.176 172 I CA -0.558 60.297 61.300 -0.742 0.000 1.025 172 I CB 2.161 39.993 38.000 -0.280 0.000 1.243 172 I HN 0.682 nan 8.210 nan 0.000 0.424 173 K N 7.286 127.365 120.400 -0.535 0.000 2.561 173 K HA 0.569 4.889 4.320 -0.000 0.000 0.254 173 K C -2.034 174.485 176.600 -0.136 0.000 0.942 173 K CA -0.502 55.590 56.287 -0.325 0.000 0.818 173 K CB 1.409 33.739 32.500 -0.284 0.000 1.306 173 K HN 0.582 nan 8.250 nan 0.000 0.435 174 I N 5.218 125.747 120.570 -0.069 0.000 2.336 174 I HA 0.321 4.491 4.170 -0.000 0.000 0.292 174 I C -0.434 175.727 176.117 0.074 0.000 0.991 174 I CA -1.000 60.319 61.300 0.032 0.000 1.227 174 I CB 1.356 39.360 38.000 0.006 0.000 1.366 174 I HN 0.489 nan 8.210 nan 0.000 0.466 175 I N 9.008 129.664 120.570 0.143 0.000 2.503 175 I HA 0.258 4.428 4.170 -0.000 0.000 0.277 175 I C -1.753 174.450 176.117 0.144 0.000 1.078 175 I CA -1.469 59.893 61.300 0.103 0.000 1.184 175 I CB 1.047 39.080 38.000 0.055 0.000 1.353 175 I HN 0.331 nan 8.210 nan 0.000 0.490 176 P HA -0.175 nan 4.420 nan 0.000 0.215 176 P C 0.849 178.113 177.300 -0.059 0.000 1.153 176 P CA 1.313 64.455 63.100 0.070 0.000 0.853 176 P CB 0.162 31.916 31.700 0.090 0.000 0.788 177 E N -0.283 119.906 120.200 -0.018 0.000 2.515 177 E HA -0.116 4.234 4.350 -0.000 0.000 0.201 177 E C 0.902 177.481 176.600 -0.036 0.000 1.071 177 E CA 0.786 57.166 56.400 -0.032 0.000 0.880 177 E CB -0.672 29.020 29.700 -0.014 0.000 0.828 177 E HN 0.487 nan 8.360 nan 0.000 0.540 178 E N 0.001 120.182 120.200 -0.031 0.000 2.759 178 E HA 0.139 4.489 4.350 -0.000 0.000 0.220 178 E C -0.481 176.110 176.600 -0.015 0.000 0.974 178 E CA -0.358 56.035 56.400 -0.012 0.000 1.148 178 E CB 0.352 30.064 29.700 0.019 0.000 1.059 178 E HN 0.028 nan 8.360 nan 0.000 0.493 179 N N 2.273 120.887 118.700 -0.144 0.000 2.716 179 N HA -0.209 4.531 4.740 -0.000 0.000 0.250 179 N C -0.707 174.954 175.510 0.253 0.000 1.033 179 N CA 1.224 54.100 53.050 -0.290 0.000 0.727 179 N CB -0.856 37.544 38.487 -0.144 0.000 0.950 179 N HN 0.282 nan 8.380 nan 0.000 0.541 180 K N 0.380 120.994 120.400 0.357 0.000 2.378 180 K HA 0.607 4.927 4.320 -0.000 0.000 0.252 180 K C -0.788 176.059 176.600 0.412 0.000 0.931 180 K CA -0.626 55.883 56.287 0.370 0.000 0.794 180 K CB 1.343 33.946 32.500 0.170 0.000 1.181 180 K HN 0.074 nan 8.250 nan 0.000 0.425 181 I N 6.403 127.195 120.570 0.370 0.000 2.406 181 I HA 0.392 4.562 4.170 -0.000 0.000 0.290 181 I C -0.078 176.140 176.117 0.167 0.000 0.999 181 I CA -1.014 60.438 61.300 0.254 0.000 1.124 181 I CB 1.550 39.742 38.000 0.321 0.000 1.289 181 I HN 0.607 nan 8.210 nan 0.000 0.441 182 I N 2.565 123.138 120.570 0.005 0.000 2.957 182 I HA 1.069 5.239 4.170 -0.000 0.000 0.310 182 I C -0.121 175.791 176.117 -0.341 0.000 1.063 182 I CA -0.439 60.784 61.300 -0.128 0.000 1.033 182 I CB 2.382 40.214 38.000 -0.281 0.000 1.230 182 I HN 0.626 nan 8.210 nan 0.000 0.447 183 G N 2.002 110.406 108.800 -0.660 0.000 2.349 183 G HA2 0.493 4.453 3.960 -0.000 0.000 0.294 183 G HA3 0.493 4.453 3.960 -0.000 0.000 0.294 183 G C -2.185 172.199 174.900 -0.861 0.000 1.380 183 G CA -0.543 44.116 45.100 -0.734 0.000 0.811 183 G HN 1.076 nan 8.290 nan 0.000 0.519 184 Y N -1.482 118.616 120.300 -0.338 0.000 2.524 184 Y HA 0.867 5.417 4.550 -0.000 0.000 0.347 184 Y C -0.295 175.596 175.900 -0.014 0.000 1.005 184 Y CA -1.230 56.668 58.100 -0.337 0.000 1.025 184 Y CB 1.825 39.990 38.460 -0.491 0.000 1.275 184 Y HN 0.754 nan 8.280 nan 0.000 0.460 185 T N 0.418 115.148 114.554 0.293 0.000 2.912 185 T HA 0.523 4.873 4.350 -0.000 0.000 0.288 185 T C 0.370 175.210 174.700 0.234 0.000 1.030 185 T CA 0.171 62.455 62.100 0.307 0.000 1.020 185 T CB 1.287 70.337 68.868 0.303 0.000 1.056 185 T HN 1.176 nan 8.240 nan 0.000 0.480 186 T N 0.870 115.603 114.554 0.298 0.000 3.041 186 T HA 0.288 4.637 4.350 -0.000 0.000 0.276 186 T C 0.696 175.655 174.700 0.432 0.000 0.948 186 T CA -0.394 61.921 62.100 0.357 0.000 0.885 186 T CB -0.126 68.913 68.868 0.285 0.000 1.175 186 T HN 0.636 nan 8.240 nan 0.000 0.529 187 R N 3.122 123.822 120.500 0.334 0.000 2.504 187 R HA 0.125 4.465 4.340 -0.000 0.000 0.291 187 R C -0.224 176.243 176.300 0.277 0.000 0.974 187 R CA 0.723 56.989 56.100 0.277 0.000 1.077 187 R CB 0.093 30.567 30.300 0.290 0.000 0.926 187 R HN 0.726 nan 8.270 nan 0.000 0.407 188 N N 1.326 120.134 118.700 0.180 0.000 3.157 188 N HA 0.141 4.881 4.740 -0.000 0.000 0.291 188 N C -1.094 174.447 175.510 0.051 0.000 1.515 188 N CA -0.897 52.217 53.050 0.106 0.000 0.807 188 N CB 1.669 40.102 38.487 -0.090 0.000 1.672 188 N HN 0.344 nan 8.380 nan 0.000 0.592 189 S N -1.274 114.431 115.700 0.008 0.000 2.754 189 S HA 0.539 5.009 4.470 -0.000 0.000 0.247 189 S C 0.431 174.995 174.600 -0.060 0.000 1.031 189 S CA 0.086 58.282 58.200 -0.007 0.000 1.014 189 S CB -0.173 63.034 63.200 0.011 0.000 0.918 189 S HN 1.123 nan 8.310 nan 0.000 0.519 190 G N 0.259 108.996 108.800 -0.105 0.000 2.462 190 G HA2 0.390 4.349 3.960 -0.000 0.000 0.685 190 G HA3 0.390 4.349 3.960 -0.000 0.000 0.685 190 G C 0.289 175.062 174.900 -0.211 0.000 1.295 190 G CA -0.357 44.668 45.100 -0.124 0.000 0.941 190 G HN 1.142 nan 8.290 nan 0.000 0.554 191 G N -2.211 106.478 108.800 -0.184 0.000 2.246 191 G HA2 0.298 4.258 3.960 -0.000 0.000 0.273 191 G HA3 0.298 4.258 3.960 -0.000 0.000 0.273 191 G C 0.734 175.421 174.900 -0.355 0.000 1.055 191 G CA 1.411 46.367 45.100 -0.239 0.000 0.851 191 G HN 2.428 nan 8.290 nan 0.000 0.500 192 V N -3.558 116.184 119.914 -0.286 0.000 2.962 192 V HA 0.935 5.055 4.120 -0.000 0.000 0.313 192 V C -2.001 174.050 176.094 -0.073 0.000 1.099 192 V CA -2.700 59.432 62.300 -0.280 0.000 0.971 192 V CB 1.952 33.494 31.823 -0.469 0.000 1.028 192 V HN 0.089 nan 8.190 nan 0.000 0.430 193 P HA 0.442 nan 4.420 nan 0.000 0.272 193 P C 1.075 178.471 177.300 0.160 0.000 1.240 193 P CA 0.471 63.632 63.100 0.102 0.000 0.791 193 P CB 0.647 32.426 31.700 0.132 0.000 0.978 194 E N 1.611 121.884 120.200 0.122 0.000 2.160 194 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 194 E C 1.135 177.814 176.600 0.133 0.000 0.991 194 E CA 1.769 58.236 56.400 0.112 0.000 0.810 194 E CB -1.282 28.466 29.700 0.081 0.000 0.742 194 E HN 0.701 nan 8.360 nan 0.000 0.466 195 N N -0.489 118.307 118.700 0.160 0.000 2.313 195 N HA 0.075 4.815 4.740 -0.000 0.000 0.207 195 N C 0.033 175.597 175.510 0.090 0.000 1.141 195 N CA -0.558 52.559 53.050 0.111 0.000 0.830 195 N CB -0.881 37.675 38.487 0.115 0.000 1.008 195 N HN 0.370 nan 8.380 nan 0.000 0.481 196 F N 2.156 122.134 119.950 0.047 0.000 2.608 196 F HA 0.205 4.732 4.527 -0.000 0.000 0.380 196 F C 0.086 175.779 175.800 -0.178 0.000 1.083 196 F CA 0.242 58.237 58.000 -0.009 0.000 1.266 196 F CB 0.417 39.474 39.000 0.094 0.000 1.076 196 F HN -0.070 nan 8.300 nan 0.000 0.574 197 K N 4.966 124.616 120.400 -1.250 0.000 2.546 197 K HA 0.190 4.510 4.320 -0.000 0.000 0.264 197 K C -1.453 174.365 176.600 -1.304 0.000 0.937 197 K CA -1.039 54.474 56.287 -1.290 0.000 0.833 197 K CB 1.943 33.559 32.500 -1.474 0.000 1.378 197 K HN 0.667 nan 8.250 nan 0.000 0.432 198 N N 2.549 120.689 118.700 -0.934 0.000 2.446 198 N HA 0.251 4.991 4.740 -0.000 0.000 0.265 198 N C -1.424 173.747 175.510 -0.564 0.000 0.975 198 N CA -0.369 52.272 53.050 -0.682 0.000 0.928 198 N CB 0.676 38.964 38.487 -0.332 0.000 1.160 198 N HN 0.387 nan 8.380 nan 0.000 0.495 199 Y N 3.908 123.947 120.300 -0.435 0.000 2.327 199 Y HA 0.309 4.859 4.550 -0.000 0.000 0.336 199 Y C 0.057 175.837 175.900 -0.200 0.000 1.035 199 Y CA -0.701 57.090 58.100 -0.515 0.000 1.165 199 Y CB 0.423 38.343 38.460 -0.899 0.000 1.181 199 Y HN 0.318 nan 8.280 nan 0.000 0.494 200 F N 1.379 121.352 119.950 0.038 0.000 2.577 200 F HA 0.907 5.434 4.527 -0.000 0.000 0.318 200 F C -1.358 174.546 175.800 0.173 0.000 1.065 200 F CA -1.983 56.023 58.000 0.010 0.000 0.929 200 F CB 1.223 39.960 39.000 -0.439 0.000 1.237 200 F HN 0.195 nan 8.300 nan 0.000 0.468 201 I N 3.125 123.937 120.570 0.403 0.000 2.582 201 I HA 0.496 4.666 4.170 -0.000 0.000 0.292 201 I C -1.094 175.194 176.117 0.285 0.000 1.066 201 I CA -0.793 60.682 61.300 0.292 0.000 1.053 201 I CB 2.446 40.573 38.000 0.212 0.000 1.241 201 I HN 0.581 nan 8.210 nan 0.000 0.421 202 I N 4.956 125.660 120.570 0.224 0.000 2.468 202 I HA 0.339 4.509 4.170 -0.000 0.000 0.285 202 I C -0.755 175.367 176.117 0.007 0.000 1.039 202 I CA -0.475 60.880 61.300 0.091 0.000 1.074 202 I CB 1.944 39.999 38.000 0.092 0.000 1.228 202 I HN 0.528 nan 8.210 nan 0.000 0.436 203 E N 5.853 126.009 120.200 -0.073 0.000 2.145 203 E HA 0.498 4.848 4.350 -0.000 0.000 0.270 203 E C -1.355 175.182 176.600 -0.104 0.000 0.906 203 E CA -0.569 55.830 56.400 -0.001 0.000 0.761 203 E CB 1.920 31.644 29.700 0.040 0.000 1.116 203 E HN 0.284 nan 8.360 nan 0.000 0.408 204 F N 1.822 121.913 119.950 0.236 0.000 2.397 204 F HA 0.138 4.664 4.527 -0.000 0.000 0.331 204 F C 1.228 177.106 175.800 0.129 0.000 1.090 204 F CA -0.814 57.337 58.000 0.251 0.000 1.065 204 F CB 0.990 40.254 39.000 0.441 0.000 1.184 204 F HN 0.435 nan 8.300 nan 0.000 0.499 205 D N 0.982 121.558 120.400 0.292 0.000 2.434 205 D HA 0.048 4.688 4.640 -0.000 0.000 0.232 205 D C -0.184 176.170 176.300 0.090 0.000 1.166 205 D CA 0.078 54.163 54.000 0.142 0.000 0.830 205 D CB 0.055 40.910 40.800 0.092 0.000 0.960 205 D HN 0.197 nan 8.370 nan 0.000 0.497 206 K N 0.937 121.411 120.400 0.124 0.000 2.535 206 K HA 0.357 4.677 4.320 -0.000 0.000 0.251 206 K C -3.191 173.422 176.600 0.022 0.000 0.942 206 K CA -1.767 54.506 56.287 -0.023 0.000 0.798 206 K CB 2.609 34.953 32.500 -0.260 0.000 1.267 206 K HN -0.148 nan 8.250 nan 0.000 0.434 207 P HA 0.168 nan 4.420 nan 0.000 0.271 207 P C -0.678 176.701 177.300 0.130 0.000 1.216 207 P CA -0.221 62.818 63.100 -0.102 0.000 0.776 207 P CB 0.177 31.840 31.700 -0.062 0.000 0.881 208 F N 0.604 120.626 119.950 0.120 0.000 2.472 208 F HA 0.174 4.701 4.527 -0.000 0.000 0.364 208 F C 1.799 177.637 175.800 0.062 0.000 1.090 208 F CA -0.065 57.982 58.000 0.078 0.000 1.188 208 F CB -0.512 38.484 39.000 -0.006 0.000 1.105 208 F HN 0.208 nan 8.300 nan 0.000 0.536 209 T N 2.202 116.915 114.554 0.264 0.000 3.057 209 T HA -0.007 4.343 4.350 -0.000 0.000 0.254 209 T C -0.629 174.181 174.700 0.184 0.000 1.094 209 T CA 0.702 62.904 62.100 0.171 0.000 1.088 209 T CB -0.308 68.641 68.868 0.134 0.000 0.934 209 T HN 0.473 nan 8.240 nan 0.000 0.497 210 Y N 2.202 122.515 120.300 0.023 0.000 2.492 210 Y HA 0.543 5.093 4.550 -0.000 0.000 0.346 210 Y C -1.486 174.387 175.900 -0.045 0.000 0.997 210 Y CA -1.515 56.590 58.100 0.009 0.000 1.025 210 Y CB 1.219 39.705 38.460 0.043 0.000 1.263 210 Y HN -0.047 nan 8.280 nan 0.000 0.454 211 K N 4.261 124.256 120.400 -0.674 0.000 2.561 211 K HA 0.928 5.248 4.320 -0.000 0.000 0.254 211 K C -2.253 173.996 176.600 -0.586 0.000 0.942 211 K CA -0.924 55.083 56.287 -0.467 0.000 0.818 211 K CB 1.849 34.227 32.500 -0.204 0.000 1.306 211 K HN 0.872 nan 8.250 nan 0.000 0.435 212 A N 1.312 123.907 122.820 -0.376 0.000 2.574 212 A HA 0.714 5.034 4.320 -0.000 0.000 0.297 212 A C -0.750 176.730 177.584 -0.173 0.000 1.062 212 A CA -0.638 51.237 52.037 -0.270 0.000 0.686 212 A CB 1.699 20.560 19.000 -0.231 0.000 1.285 212 A HN 0.851 nan 8.150 nan 0.000 0.403 213 T N -1.264 113.190 114.554 -0.166 0.000 2.944 213 T HA 0.761 5.110 4.350 -0.000 0.000 0.284 213 T C -0.385 174.187 174.700 -0.213 0.000 1.010 213 T CA -0.676 61.321 62.100 -0.172 0.000 1.025 213 T CB 1.360 70.130 68.868 -0.164 0.000 1.079 213 T HN 1.014 nan 8.240 nan 0.000 0.516 214 V N 1.630 121.366 119.914 -0.298 0.000 2.540 214 V HA 0.624 4.744 4.120 -0.000 0.000 0.302 214 V C -0.285 175.585 176.094 -0.373 0.000 1.035 214 V CA -0.750 61.290 62.300 -0.434 0.000 0.873 214 V CB 1.534 32.818 31.823 -0.899 0.000 0.992 214 V HN 1.053 nan 8.190 nan 0.000 0.428 215 E N 4.528 124.555 120.200 -0.288 0.000 2.402 215 E HA 0.274 4.624 4.350 -0.000 0.000 0.244 215 E C -0.396 176.107 176.600 -0.161 0.000 0.945 215 E CA -0.514 55.772 56.400 -0.189 0.000 0.774 215 E CB 0.605 30.232 29.700 -0.122 0.000 1.296 215 E HN 0.849 nan 8.360 nan 0.000 0.414 216 N N 3.319 121.921 118.700 -0.164 0.000 2.681 216 N HA -0.268 4.472 4.740 -0.000 0.000 0.259 216 N C 0.735 176.170 175.510 -0.124 0.000 1.066 216 N CA 0.503 53.493 53.050 -0.098 0.000 0.717 216 N CB -0.965 37.506 38.487 -0.026 0.000 0.885 216 N HN 0.901 nan 8.380 nan 0.000 0.547 217 G N -0.846 107.823 108.800 -0.219 0.000 2.304 217 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.252 217 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.252 217 G C 0.090 174.907 174.900 -0.138 0.000 1.014 217 G CA 0.418 45.435 45.100 -0.138 0.000 0.619 217 G HN 0.516 nan 8.290 nan 0.000 0.525 218 N N 0.776 119.386 118.700 -0.149 0.000 2.458 218 N HA 0.476 5.216 4.740 -0.000 0.000 0.270 218 N C -0.182 175.236 175.510 -0.153 0.000 1.102 218 N CA -0.350 52.627 53.050 -0.121 0.000 0.967 218 N CB 1.324 39.755 38.487 -0.094 0.000 1.078 218 N HN 0.244 nan 8.380 nan 0.000 0.471 219 L N 2.946 124.100 121.223 -0.115 0.000 2.319 219 L HA 0.208 4.547 4.340 -0.000 0.000 0.280 219 L C -0.200 176.613 176.870 -0.095 0.000 1.099 219 L CA 0.087 54.861 54.840 -0.110 0.000 0.828 219 L CB 0.201 42.221 42.059 -0.065 0.000 1.150 219 L HN 0.449 nan 8.230 nan 0.000 0.442 220 Q N 4.682 124.414 119.800 -0.114 0.000 2.363 220 Q HA 0.275 4.614 4.340 -0.000 0.000 0.265 220 Q C -0.727 175.194 176.000 -0.132 0.000 1.032 220 Q CA -0.470 55.270 55.803 -0.106 0.000 0.746 220 Q CB 1.776 30.452 28.738 -0.103 0.000 1.237 220 Q HN 0.564 nan 8.270 nan 0.000 0.475 221 E N 2.698 122.818 120.200 -0.132 0.000 2.376 221 E HA -0.041 4.309 4.350 -0.000 0.000 0.266 221 E C -0.046 176.448 176.600 -0.176 0.000 1.009 221 E CA 0.196 56.469 56.400 -0.212 0.000 0.902 221 E CB 0.320 29.904 29.700 -0.193 0.000 0.972 221 E HN 0.501 nan 8.360 nan 0.000 0.439 222 N N 1.459 120.034 118.700 -0.209 0.000 2.863 222 N HA -0.176 4.564 4.740 -0.000 0.000 0.245 222 N C -1.033 174.416 175.510 -0.101 0.000 1.001 222 N CA 0.890 53.855 53.050 -0.140 0.000 0.901 222 N CB -1.193 37.228 38.487 -0.110 0.000 1.124 222 N HN 0.204 nan 8.380 nan 0.000 0.582 223 V N 1.065 120.915 119.914 -0.107 0.000 2.432 223 V HA 0.440 4.560 4.120 -0.000 0.000 0.271 223 V C 1.661 177.701 176.094 -0.091 0.000 1.046 223 V CA 0.440 62.689 62.300 -0.085 0.000 0.945 223 V CB 1.289 33.062 31.823 -0.084 0.000 0.992 223 V HN 0.351 nan 8.190 nan 0.000 0.471 224 A N 4.243 127.022 122.820 -0.069 0.000 2.066 224 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 224 A C 0.878 178.407 177.584 -0.092 0.000 1.157 224 A CA 0.832 52.829 52.037 -0.066 0.000 0.670 224 A CB 0.019 18.997 19.000 -0.037 0.000 0.804 224 A HN 0.824 nan 8.150 nan 0.000 0.453 225 E N -0.548 119.596 120.200 -0.094 0.000 2.352 225 E HA 0.394 4.744 4.350 -0.000 0.000 0.280 225 E C -1.784 174.751 176.600 -0.107 0.000 0.930 225 E CA -0.665 55.663 56.400 -0.119 0.000 0.765 225 E CB 0.935 30.618 29.700 -0.028 0.000 1.219 225 E HN 0.185 nan 8.360 nan 0.000 0.434 226 Q N 1.902 121.598 119.800 -0.173 0.000 2.305 226 Q HA 0.373 4.713 4.340 -0.000 0.000 0.271 226 Q C -1.375 174.616 176.000 -0.014 0.000 1.046 226 Q CA -0.688 55.059 55.803 -0.093 0.000 0.798 226 Q CB 2.473 31.135 28.738 -0.126 0.000 1.286 226 Q HN 0.521 nan 8.270 nan 0.000 0.435 227 T N 1.921 116.530 114.554 0.091 0.000 2.912 227 T HA 0.579 4.929 4.350 -0.000 0.000 0.326 227 T C -0.416 174.333 174.700 0.082 0.000 1.080 227 T CA -0.208 61.983 62.100 0.152 0.000 1.000 227 T CB 1.050 70.028 68.868 0.184 0.000 1.008 227 T HN 0.589 nan 8.240 nan 0.000 0.473 228 T N 1.079 115.673 114.554 0.068 0.000 2.693 228 T HA 0.267 4.616 4.350 -0.000 0.000 0.304 228 T C 0.557 175.310 174.700 0.089 0.000 1.471 228 T CA -0.402 61.735 62.100 0.062 0.000 0.993 228 T CB 1.633 70.517 68.868 0.027 0.000 1.554 228 T HN 0.432 nan 8.240 nan 0.000 0.496 229 D N 0.093 120.550 120.400 0.094 0.000 2.104 229 D HA -0.118 4.522 4.640 -0.000 0.000 0.194 229 D C 0.693 177.095 176.300 0.170 0.000 0.994 229 D CA 1.741 55.812 54.000 0.119 0.000 0.830 229 D CB -0.020 40.844 40.800 0.106 0.000 0.959 229 D HN 0.567 nan 8.370 nan 0.000 0.452 230 H N -0.864 118.235 119.070 0.047 0.000 2.761 230 H HA 0.572 5.128 4.556 -0.000 0.000 0.263 230 H C -1.235 174.091 175.328 -0.004 0.000 1.292 230 H CA -0.865 55.222 56.048 0.067 0.000 1.540 230 H CB 0.600 30.408 29.762 0.076 0.000 1.569 230 H HN 0.171 nan 8.280 nan 0.000 0.510 231 A N 3.106 126.063 122.820 0.228 0.000 2.340 231 A HA 0.702 5.022 4.320 -0.000 0.000 0.268 231 A C 0.342 177.958 177.584 0.052 0.000 1.100 231 A CA 0.265 52.321 52.037 0.032 0.000 0.803 231 A CB 0.844 19.829 19.000 -0.025 0.000 1.043 231 A HN 0.747 nan 8.150 nan 0.000 0.488 232 G N -1.249 107.442 108.800 -0.182 0.000 2.684 232 G HA2 0.774 4.733 3.960 -0.000 0.000 0.290 232 G HA3 0.774 4.733 3.960 -0.000 0.000 0.290 232 G C -1.020 173.813 174.900 -0.111 0.000 1.425 232 G CA 0.104 45.139 45.100 -0.108 0.000 0.822 232 G HN 1.697 nan 8.290 nan 0.000 0.482 233 A N -0.253 122.601 122.820 0.058 0.000 2.475 233 A HA 0.870 5.190 4.320 -0.000 0.000 0.301 233 A C -1.119 176.500 177.584 0.057 0.000 1.059 233 A CA -0.618 51.420 52.037 0.002 0.000 0.710 233 A CB 1.337 20.338 19.000 0.001 0.000 1.288 233 A HN 0.766 nan 8.150 nan 0.000 0.408 234 I N 2.305 122.874 120.570 -0.002 0.000 2.478 234 I HA 0.423 4.593 4.170 -0.000 0.000 0.287 234 I C -1.022 175.086 176.117 -0.016 0.000 1.042 234 I CA -0.581 60.730 61.300 0.018 0.000 1.067 234 I CB 1.774 39.804 38.000 0.052 0.000 1.233 234 I HN 0.672 nan 8.210 nan 0.000 0.431 235 I N 2.896 123.349 120.570 -0.195 0.000 2.693 235 I HA 1.055 5.225 4.170 -0.000 0.000 0.303 235 I C 0.104 175.989 176.117 -0.387 0.000 1.025 235 I CA -0.284 60.785 61.300 -0.384 0.000 1.086 235 I CB 1.959 39.247 38.000 -1.185 0.000 1.268 235 I HN 0.537 nan 8.210 nan 0.000 0.440 236 G N 2.555 111.120 108.800 -0.392 0.000 2.727 236 G HA2 0.885 4.845 3.960 -0.000 0.000 0.289 236 G HA3 0.885 4.845 3.960 -0.000 0.000 0.289 236 G C -1.433 172.946 174.900 -0.868 0.000 1.418 236 G CA -0.868 43.673 45.100 -0.930 0.000 0.818 236 G HN 0.951 nan 8.290 nan 0.000 0.486 237 F N -2.515 117.220 119.950 -0.358 0.000 2.900 237 F HA 0.584 5.110 4.527 -0.000 0.000 0.321 237 F C -0.696 174.892 175.800 -0.352 0.000 1.160 237 F CA -1.596 56.248 58.000 -0.260 0.000 0.890 237 F CB 1.245 40.128 39.000 -0.195 0.000 1.334 237 F HN 0.349 nan 8.300 nan 0.000 0.459 238 K N 1.130 121.545 120.400 0.025 0.000 2.174 238 K HA 0.605 4.925 4.320 -0.000 0.000 0.275 238 K C -0.658 175.880 176.600 -0.104 0.000 1.015 238 K CA -0.470 55.759 56.287 -0.096 0.000 0.933 238 K CB 1.747 34.185 32.500 -0.104 0.000 1.025 238 K HN 0.767 nan 8.250 nan 0.000 0.463 239 T N -0.072 114.408 114.554 -0.122 0.000 2.876 239 T HA 0.437 4.787 4.350 -0.000 0.000 0.289 239 T C -0.113 174.560 174.700 -0.044 0.000 1.014 239 T CA -1.136 60.892 62.100 -0.119 0.000 0.986 239 T CB 1.542 70.322 68.868 -0.145 0.000 1.021 239 T HN 0.410 nan 8.240 nan 0.000 0.458 240 R N 0.978 121.461 120.500 -0.028 0.000 2.531 240 R HA 0.350 4.689 4.340 -0.000 0.000 0.273 240 R C 0.377 176.705 176.300 0.046 0.000 1.070 240 R CA -0.913 55.189 56.100 0.003 0.000 1.112 240 R CB 0.737 31.035 30.300 -0.004 0.000 1.049 240 R HN 0.721 nan 8.270 nan 0.000 0.508 241 K N 0.885 121.316 120.400 0.050 0.000 2.491 241 K HA -0.087 4.232 4.320 -0.000 0.000 0.279 241 K C 0.583 177.231 176.600 0.080 0.000 1.026 241 K CA 1.242 57.573 56.287 0.074 0.000 1.070 241 K CB 0.037 32.572 32.500 0.058 0.000 0.887 241 K HN 0.781 nan 8.250 nan 0.000 0.481 242 G N 2.647 111.514 108.800 0.112 0.000 2.179 242 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.260 242 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.260 242 G C -0.038 174.929 174.900 0.111 0.000 0.977 242 G CA 0.450 45.613 45.100 0.106 0.000 0.641 242 G HN 0.777 nan 8.290 nan 0.000 0.533 243 E N 0.691 120.964 120.200 0.121 0.000 2.415 243 E HA 0.340 4.689 4.350 -0.000 0.000 0.263 243 E C 0.401 177.106 176.600 0.175 0.000 0.995 243 E CA 0.091 56.552 56.400 0.101 0.000 0.915 243 E CB 0.200 29.923 29.700 0.039 0.000 0.951 243 E HN 0.533 nan 8.360 nan 0.000 0.449 244 Q N 2.386 122.262 119.800 0.126 0.000 2.293 244 Q HA 0.424 4.764 4.340 -0.000 0.000 0.261 244 Q C -1.183 174.913 176.000 0.161 0.000 0.960 244 Q CA -0.851 55.049 55.803 0.162 0.000 0.882 244 Q CB 2.318 31.114 28.738 0.097 0.000 1.275 244 Q HN 0.318 nan 8.270 nan 0.000 0.445 245 V N 3.188 123.275 119.914 0.288 0.000 2.448 245 V HA 0.334 4.454 4.120 -0.000 0.000 0.295 245 V C -0.375 175.900 176.094 0.302 0.000 1.025 245 V CA -0.910 61.573 62.300 0.305 0.000 0.859 245 V CB 1.631 33.748 31.823 0.490 0.000 0.988 245 V HN 0.759 nan 8.190 nan 0.000 0.431 246 N N 2.895 121.719 118.700 0.207 0.000 2.443 246 N HA 0.731 5.471 4.740 -0.000 0.000 0.295 246 N C -0.520 175.077 175.510 0.145 0.000 1.076 246 N CA -0.334 52.779 53.050 0.105 0.000 0.919 246 N CB 2.545 41.054 38.487 0.038 0.000 1.176 246 N HN 0.776 nan 8.380 nan 0.000 0.487 247 A N 2.316 125.150 122.820 0.022 0.000 2.332 247 A HA 0.445 4.765 4.320 -0.000 0.000 0.300 247 A C -0.254 177.281 177.584 -0.080 0.000 1.153 247 A CA -0.714 51.251 52.037 -0.120 0.000 0.764 247 A CB 0.804 19.685 19.000 -0.198 0.000 1.174 247 A HN 0.603 nan 8.150 nan 0.000 0.467 248 R N 1.787 122.237 120.500 -0.082 0.000 2.254 248 R HA 0.627 4.967 4.340 -0.000 0.000 0.318 248 R C -0.853 175.452 176.300 0.010 0.000 1.031 248 R CA 0.158 56.241 56.100 -0.027 0.000 0.905 248 R CB 0.884 31.183 30.300 -0.002 0.000 1.050 248 R HN 0.681 nan 8.270 nan 0.000 0.456 249 I N 1.554 122.157 120.570 0.055 0.000 2.730 249 I HA 0.692 4.861 4.170 -0.000 0.000 0.298 249 I C -0.522 175.734 176.117 0.232 0.000 1.089 249 I CA -0.905 60.499 61.300 0.172 0.000 1.041 249 I CB 2.272 40.407 38.000 0.225 0.000 1.235 249 I HN 0.660 nan 8.210 nan 0.000 0.423 250 A N 3.319 126.329 122.820 0.317 0.000 2.606 250 A HA 0.885 5.205 4.320 -0.000 0.000 0.293 250 A C -0.977 176.815 177.584 0.346 0.000 1.082 250 A CA -0.473 51.750 52.037 0.309 0.000 0.685 250 A CB 2.052 21.173 19.000 0.201 0.000 1.284 250 A HN 0.745 nan 8.150 nan 0.000 0.408 251 S N -0.260 115.602 115.700 0.270 0.000 2.618 251 S HA 0.918 5.388 4.470 -0.000 0.000 0.277 251 S C -0.504 174.094 174.600 -0.004 0.000 1.138 251 S CA -0.184 58.114 58.200 0.164 0.000 0.844 251 S CB 1.710 65.024 63.200 0.189 0.000 1.127 251 S HN 1.802 nan 8.310 nan 0.000 0.474 252 S N -0.843 114.788 115.700 -0.115 0.000 2.618 252 S HA 0.700 5.170 4.470 -0.000 0.000 0.277 252 S C -1.109 173.281 174.600 -0.350 0.000 1.138 252 S CA -0.712 57.385 58.200 -0.172 0.000 0.844 252 S CB 0.884 64.051 63.200 -0.054 0.000 1.127 252 S HN 0.636 nan 8.310 nan 0.000 0.474 253 F N 1.412 121.298 119.950 -0.106 0.000 2.693 253 F HA 0.449 4.976 4.527 -0.000 0.000 0.303 253 F C 1.166 176.844 175.800 -0.203 0.000 1.097 253 F CA 0.043 57.900 58.000 -0.240 0.000 1.330 253 F CB 0.158 38.988 39.000 -0.282 0.000 1.067 253 F HN 0.380 nan 8.300 nan 0.000 0.565 254 I N -1.672 118.924 120.570 0.043 0.000 3.132 254 I HA 0.102 4.272 4.170 -0.000 0.000 0.255 254 I C 0.632 176.536 176.117 -0.354 0.000 1.118 254 I CA 0.315 61.591 61.300 -0.039 0.000 1.463 254 I CB 0.240 38.236 38.000 -0.007 0.000 1.356 254 I HN 0.011 nan 8.210 nan 0.000 0.463 255 S N -1.525 113.816 115.700 -0.598 0.000 2.615 255 S HA 0.335 4.805 4.470 -0.000 0.000 0.268 255 S C -0.062 174.069 174.600 -0.783 0.000 1.146 255 S CA -0.679 56.891 58.200 -1.051 0.000 0.818 255 S CB 0.782 63.691 63.200 -0.484 0.000 1.111 255 S HN 0.028 nan 8.310 nan 0.000 0.465 256 F N 1.275 120.887 119.950 -0.563 0.000 2.186 256 F HA 0.099 4.626 4.527 -0.000 0.000 0.299 256 F C 2.592 178.313 175.800 -0.131 0.000 1.090 256 F CA 1.653 59.523 58.000 -0.216 0.000 1.307 256 F CB -0.575 38.351 39.000 -0.123 0.000 1.019 256 F HN 0.745 nan 8.300 nan 0.000 0.489 257 E N -0.408 119.814 120.200 0.036 0.000 2.085 257 E HA -0.306 4.044 4.350 -0.000 0.000 0.194 257 E C 2.110 178.714 176.600 0.007 0.000 0.994 257 E CA 1.457 57.869 56.400 0.019 0.000 0.801 257 E CB -0.215 29.478 29.700 -0.012 0.000 0.743 257 E HN 0.283 nan 8.360 nan 0.000 0.453 258 Q N 0.560 120.336 119.800 -0.041 0.000 2.123 258 Q HA -0.059 4.281 4.340 -0.000 0.000 0.199 258 Q C 1.848 177.857 176.000 0.015 0.000 0.966 258 Q CA 1.567 57.358 55.803 -0.020 0.000 0.845 258 Q CB -0.240 28.468 28.738 -0.050 0.000 0.907 258 Q HN 0.233 nan 8.270 nan 0.000 0.439 259 A N 0.270 123.101 122.820 0.020 0.000 1.933 259 A HA -0.058 4.261 4.320 -0.000 0.000 0.218 259 A C 2.268 179.914 177.584 0.103 0.000 1.175 259 A CA 1.821 53.906 52.037 0.080 0.000 0.628 259 A CB -1.099 17.982 19.000 0.135 0.000 0.814 259 A HN 0.502 nan 8.150 nan 0.000 0.444 260 A N -0.293 122.585 122.820 0.097 0.000 1.969 260 A HA 0.215 4.535 4.320 -0.000 0.000 0.218 260 A C 2.455 180.080 177.584 0.068 0.000 1.169 260 A CA 1.876 53.965 52.037 0.086 0.000 0.635 260 A CB -0.851 18.193 19.000 0.074 0.000 0.810 260 A HN 0.985 nan 8.150 nan 0.000 0.445 261 A N 0.514 123.368 122.820 0.057 0.000 1.898 261 A HA -0.171 4.148 4.320 -0.000 0.000 0.216 261 A C 1.859 179.481 177.584 0.062 0.000 1.181 261 A CA 1.734 53.802 52.037 0.052 0.000 0.620 261 A CB -0.620 18.407 19.000 0.044 0.000 0.819 261 A HN 0.521 nan 8.150 nan 0.000 0.442 262 N N -0.621 118.121 118.700 0.069 0.000 2.149 262 N HA -0.181 4.559 4.740 -0.000 0.000 0.188 262 N C 1.497 177.059 175.510 0.087 0.000 1.019 262 N CA 1.740 54.837 53.050 0.080 0.000 0.857 262 N CB -0.533 38.007 38.487 0.087 0.000 0.997 262 N HN 0.536 nan 8.380 nan 0.000 0.426 263 M N 1.084 120.738 119.600 0.090 0.000 2.260 263 M HA -0.110 4.370 4.480 -0.000 0.000 0.261 263 M C 0.876 177.216 176.300 0.066 0.000 1.066 263 M CA 1.490 56.841 55.300 0.086 0.000 1.082 263 M CB -0.440 32.212 32.600 0.087 0.000 1.388 263 M HN 0.152 nan 8.290 nan 0.000 0.419 264 N N -0.311 118.425 118.700 0.060 0.000 2.520 264 N HA -0.129 4.611 4.740 -0.000 0.000 0.185 264 N C 1.078 176.618 175.510 0.049 0.000 1.068 264 N CA 0.917 53.997 53.050 0.050 0.000 0.911 264 N CB -0.110 38.405 38.487 0.047 0.000 0.961 264 N HN 0.568 nan 8.380 nan 0.000 0.446 265 E N 0.707 120.942 120.200 0.058 0.000 2.209 265 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 265 E C 1.464 178.091 176.600 0.045 0.000 0.993 265 E CA 0.686 57.121 56.400 0.057 0.000 0.819 265 E CB -0.032 29.710 29.700 0.070 0.000 0.745 265 E HN 0.484 nan 8.360 nan 0.000 0.477 266 L N -0.134 121.113 121.223 0.040 0.000 2.313 266 L HA 0.039 4.379 4.340 -0.000 0.000 0.214 266 L C 1.654 178.537 176.870 0.021 0.000 1.119 266 L CA 0.343 55.198 54.840 0.024 0.000 0.809 266 L CB -0.937 41.132 42.059 0.016 0.000 0.933 266 L HN 0.230 nan 8.230 nan 0.000 0.449 267 G N 0.956 109.772 108.800 0.026 0.000 2.611 267 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.301 267 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.301 267 G C 0.567 175.477 174.900 0.018 0.000 1.233 267 G CA 0.391 45.504 45.100 0.023 0.000 0.993 267 G HN 0.211 nan 8.290 nan 0.000 0.553 268 K N 1.788 122.196 120.400 0.013 0.000 2.514 268 K HA 0.272 4.592 4.320 -0.000 0.000 0.207 268 K C 0.035 176.639 176.600 0.005 0.000 1.035 268 K CA -0.143 56.151 56.287 0.010 0.000 1.113 268 K CB 0.153 32.658 32.500 0.009 0.000 0.846 268 K HN 0.496 nan 8.250 nan 0.000 0.491 269 D N 2.049 122.452 120.400 0.004 0.000 2.362 269 D HA -0.002 4.638 4.640 -0.000 0.000 0.242 269 D C 0.583 176.880 176.300 -0.006 0.000 1.132 269 D CA 0.164 54.163 54.000 -0.001 0.000 0.907 269 D CB 0.663 41.464 40.800 0.000 0.000 1.195 269 D HN 0.188 nan 8.370 nan 0.000 0.429 270 N N 0.344 119.039 118.700 -0.008 0.000 2.604 270 N HA 0.157 4.897 4.740 -0.000 0.000 0.297 270 N C 1.086 176.589 175.510 -0.012 0.000 1.266 270 N CA -0.618 52.425 53.050 -0.011 0.000 0.961 270 N CB 0.622 39.104 38.487 -0.008 0.000 1.166 270 N HN 0.111 nan 8.380 nan 0.000 0.601 271 I N -0.125 120.438 120.570 -0.012 0.000 2.151 271 I HA -0.245 3.925 4.170 -0.000 0.000 0.243 271 I C 1.756 177.884 176.117 0.018 0.000 1.080 271 I CA 1.718 63.024 61.300 0.010 0.000 1.339 271 I CB -1.217 36.805 38.000 0.036 0.000 1.039 271 I HN 0.578 nan 8.210 nan 0.000 0.409 272 E N 0.756 120.949 120.200 -0.011 0.000 2.058 272 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 272 E C 2.244 178.824 176.600 -0.033 0.000 0.997 272 E CA 1.346 57.721 56.400 -0.042 0.000 0.801 272 E CB -0.344 29.327 29.700 -0.048 0.000 0.746 272 E HN 0.565 nan 8.360 nan 0.000 0.450 273 Q N -0.178 119.610 119.800 -0.021 0.000 2.119 273 Q HA -0.054 4.285 4.340 -0.000 0.000 0.201 273 Q C 2.283 178.279 176.000 -0.007 0.000 0.972 273 Q CA 0.901 56.693 55.803 -0.019 0.000 0.847 273 Q CB -0.104 28.626 28.738 -0.014 0.000 0.903 273 Q HN 0.266 nan 8.270 nan 0.000 0.433 274 L N 0.257 121.485 121.223 0.008 0.000 2.072 274 L HA -0.128 4.212 4.340 -0.000 0.000 0.205 274 L C 2.553 179.462 176.870 0.065 0.000 1.079 274 L CA 0.803 55.660 54.840 0.028 0.000 0.752 274 L CB -0.598 41.472 42.059 0.018 0.000 0.906 274 L HN 0.218 nan 8.230 nan 0.000 0.436 275 A N -0.276 122.599 122.820 0.092 0.000 1.892 275 A HA -0.325 3.995 4.320 -0.000 0.000 0.218 275 A C 2.209 179.794 177.584 0.000 0.000 1.188 275 A CA 2.149 54.299 52.037 0.189 0.000 0.631 275 A CB -0.616 18.463 19.000 0.131 0.000 0.822 275 A HN 0.401 nan 8.150 nan 0.000 0.447 276 Q N 0.087 119.846 119.800 -0.068 0.000 2.084 276 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 276 Q C 1.941 177.871 176.000 -0.116 0.000 0.978 276 Q CA 2.272 57.992 55.803 -0.138 0.000 0.844 276 Q CB -0.304 28.377 28.738 -0.095 0.000 0.898 276 Q HN 0.705 nan 8.270 nan 0.000 0.426 277 K N -1.150 119.223 120.400 -0.045 0.000 2.057 277 K HA -0.048 4.272 4.320 -0.000 0.000 0.206 277 K C 2.020 178.620 176.600 0.000 0.000 1.050 277 K CA 1.082 57.358 56.287 -0.018 0.000 0.935 277 K CB -0.428 32.076 32.500 0.007 0.000 0.715 277 K HN 0.385 nan 8.250 nan 0.000 0.439 278 G N 1.880 110.710 108.800 0.049 0.000 2.418 278 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 278 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 278 G C 1.460 176.447 174.900 0.145 0.000 1.158 278 G CA 0.694 45.898 45.100 0.173 0.000 0.771 278 G HN 0.216 nan 8.290 nan 0.000 0.545 279 K N 0.211 120.436 120.400 -0.291 0.000 2.032 279 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 279 K C 2.110 178.634 176.600 -0.127 0.000 1.048 279 K CA 1.662 57.614 56.287 -0.558 0.000 0.927 279 K CB -0.154 31.719 32.500 -1.045 0.000 0.712 279 K HN 0.106 nan 8.250 nan 0.000 0.441 280 D N 0.271 120.607 120.400 -0.107 0.000 2.133 280 D HA -0.180 4.460 4.640 -0.000 0.000 0.195 280 D C 1.760 178.073 176.300 0.021 0.000 0.997 280 D CA 1.476 55.459 54.000 -0.029 0.000 0.840 280 D CB -0.305 40.474 40.800 -0.034 0.000 0.947 280 D HN 0.371 nan 8.370 nan 0.000 0.452 281 A N -0.050 122.773 122.820 0.006 0.000 1.902 281 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 281 A C 2.209 179.736 177.584 -0.094 0.000 1.181 281 A CA 1.312 53.313 52.037 -0.059 0.000 0.623 281 A CB -1.171 17.756 19.000 -0.122 0.000 0.818 281 A HN 0.313 nan 8.150 nan 0.000 0.443 282 W N -0.117 121.199 121.300 0.028 0.000 2.409 282 W HA -0.040 4.620 4.660 -0.000 0.000 0.299 282 W C 2.211 178.777 176.519 0.079 0.000 1.203 282 W CA 1.227 58.600 57.345 0.047 0.000 1.298 282 W CB -0.349 29.158 29.460 0.078 0.000 1.127 282 W HN 0.417 nan 8.180 nan 0.000 0.528 283 N N 0.006 118.894 118.700 0.313 0.000 2.289 283 N HA -0.264 4.476 4.740 -0.000 0.000 0.184 283 N C 1.669 177.332 175.510 0.255 0.000 1.016 283 N CA 1.377 54.622 53.050 0.325 0.000 0.872 283 N CB -0.243 38.397 38.487 0.254 0.000 0.973 283 N HN 0.181 nan 8.380 nan 0.000 0.433 284 Q N 1.045 120.941 119.800 0.159 0.000 2.124 284 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 284 Q C 1.763 177.837 176.000 0.124 0.000 0.977 284 Q CA 1.637 57.509 55.803 0.114 0.000 0.850 284 Q CB 0.057 28.838 28.738 0.072 0.000 0.901 284 Q HN 0.357 nan 8.270 nan 0.000 0.429 285 V N -2.489 117.504 119.914 0.131 0.000 2.685 285 V HA 0.060 4.180 4.120 -0.000 0.000 0.244 285 V C 2.210 178.446 176.094 0.236 0.000 1.054 285 V CA 0.731 63.154 62.300 0.206 0.000 1.076 285 V CB -0.724 31.112 31.823 0.021 0.000 0.725 285 V HN 0.315 nan 8.190 nan 0.000 0.467 286 L N 1.744 123.095 121.223 0.213 0.000 2.083 286 L HA -0.004 4.336 4.340 -0.000 0.000 0.209 286 L C 2.706 179.453 176.870 -0.205 0.000 1.083 286 L CA 1.799 56.738 54.840 0.166 0.000 0.752 286 L CB -1.110 41.101 42.059 0.254 0.000 0.899 286 L HN 0.528 nan 8.230 nan 0.000 0.433 287 G N -0.575 108.006 108.800 -0.364 0.000 2.625 287 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.214 287 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.214 287 G C 1.529 176.184 174.900 -0.409 0.000 1.132 287 G CA 0.088 44.625 45.100 -0.938 0.000 0.782 287 G HN 0.143 nan 8.290 nan 0.000 0.538 288 K N 0.061 120.379 120.400 -0.136 0.000 2.442 288 K HA 0.102 4.422 4.320 -0.000 0.000 0.198 288 K C 0.574 177.098 176.600 -0.128 0.000 1.042 288 K CA 0.413 56.670 56.287 -0.049 0.000 0.958 288 K CB 0.169 32.631 32.500 -0.062 0.000 0.766 288 K HN 0.381 nan 8.250 nan 0.000 0.474 289 I N 1.914 122.392 120.570 -0.154 0.000 2.521 289 I HA 0.147 4.317 4.170 -0.000 0.000 0.277 289 I C -0.742 175.274 176.117 -0.168 0.000 1.054 289 I CA -0.429 60.787 61.300 -0.140 0.000 1.117 289 I CB 1.483 39.490 38.000 0.013 0.000 1.217 289 I HN -0.136 nan 8.210 nan 0.000 0.469 290 E N 5.616 125.701 120.200 -0.191 0.000 2.197 290 E HA 0.506 4.856 4.350 -0.000 0.000 0.281 290 E C -0.578 175.914 176.600 -0.181 0.000 0.995 290 E CA -0.703 55.651 56.400 -0.077 0.000 0.808 290 E CB 2.636 32.401 29.700 0.109 0.000 1.093 290 E HN 0.417 nan 8.360 nan 0.000 0.394 291 V N -0.168 119.588 119.914 -0.263 0.000 2.769 291 V HA 0.649 4.768 4.120 -0.000 0.000 0.312 291 V C -0.588 175.291 176.094 -0.358 0.000 1.061 291 V CA -0.711 61.229 62.300 -0.600 0.000 0.931 291 V CB 1.788 32.653 31.823 -1.596 0.000 1.010 291 V HN 0.724 nan 8.190 nan 0.000 0.433 292 E N 1.735 121.826 120.200 -0.182 0.000 2.446 292 E HA 0.696 5.045 4.350 -0.000 0.000 0.276 292 E C 0.131 176.873 176.600 0.237 0.000 0.969 292 E CA -0.817 55.620 56.400 0.062 0.000 0.800 292 E CB 1.899 31.626 29.700 0.044 0.000 1.341 292 E HN 1.731 nan 8.360 nan 0.000 0.460 293 G N 0.046 109.025 108.800 0.299 0.000 2.289 293 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.280 293 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.280 293 G C 0.026 175.078 174.900 0.252 0.000 1.089 293 G CA 0.074 45.310 45.100 0.227 0.000 0.939 293 G HN 0.762 nan 8.290 nan 0.000 0.499 294 G N -0.596 108.352 108.800 0.246 0.000 2.766 294 G HA2 0.795 4.755 3.960 -0.000 0.000 0.288 294 G HA3 0.795 4.755 3.960 -0.000 0.000 0.288 294 G C -0.305 174.370 174.900 -0.375 0.000 1.408 294 G CA -0.044 45.035 45.100 -0.036 0.000 0.852 294 G HN 1.033 nan 8.290 nan 0.000 0.487 295 N N -1.046 117.428 118.700 -0.378 0.000 2.434 295 N HA 0.312 5.052 4.740 -0.000 0.000 0.266 295 N C 1.187 176.411 175.510 -0.476 0.000 1.223 295 N CA -0.782 52.077 53.050 -0.319 0.000 0.972 295 N CB 1.217 39.610 38.487 -0.157 0.000 1.207 295 N HN 0.361 nan 8.380 nan 0.000 0.525 296 L N -0.162 120.948 121.223 -0.189 0.000 2.079 296 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 296 L C 0.990 177.869 176.870 0.016 0.000 1.081 296 L CA 1.885 56.721 54.840 -0.007 0.000 0.752 296 L CB -0.988 41.147 42.059 0.126 0.000 0.896 296 L HN 0.596 nan 8.230 nan 0.000 0.433 297 D N -0.692 119.696 120.400 -0.020 0.000 2.123 297 D HA -0.217 4.423 4.640 -0.000 0.000 0.196 297 D C 2.178 178.496 176.300 0.030 0.000 0.992 297 D CA 1.450 55.457 54.000 0.012 0.000 0.833 297 D CB -0.101 40.692 40.800 -0.012 0.000 0.954 297 D HN 0.557 nan 8.370 nan 0.000 0.455 298 Q N -0.675 119.106 119.800 -0.031 0.000 2.079 298 Q HA -0.156 4.184 4.340 -0.000 0.000 0.200 298 Q C 2.140 178.327 176.000 0.311 0.000 0.974 298 Q CA 0.881 56.731 55.803 0.080 0.000 0.840 298 Q CB -0.185 28.491 28.738 -0.104 0.000 0.898 298 Q HN 0.375 nan 8.270 nan 0.000 0.430 299 Y N 0.959 121.372 120.300 0.188 0.000 2.128 299 Y HA -0.200 4.350 4.550 -0.000 0.000 0.284 299 Y C 2.352 178.343 175.900 0.151 0.000 1.154 299 Y CA 1.089 59.193 58.100 0.007 0.000 1.149 299 Y CB -0.558 37.571 38.460 -0.551 0.000 0.976 299 Y HN 0.038 nan 8.280 nan 0.000 0.505 300 R N -0.688 120.002 120.500 0.317 0.000 2.073 300 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 300 R C 2.217 178.645 176.300 0.214 0.000 1.134 300 R CA 2.084 58.373 56.100 0.316 0.000 0.952 300 R CB -0.825 29.615 30.300 0.233 0.000 0.850 300 R HN 0.269 nan 8.270 nan 0.000 0.433 301 T N 0.884 115.507 114.554 0.116 0.000 2.720 301 T HA -0.192 4.157 4.350 -0.000 0.000 0.268 301 T C 1.420 176.091 174.700 -0.049 0.000 1.037 301 T CA 1.496 63.547 62.100 -0.082 0.000 1.144 301 T CB -0.343 68.385 68.868 -0.233 0.000 0.864 301 T HN 0.188 nan 8.240 nan 0.000 0.444 302 F N 0.654 120.652 119.950 0.080 0.000 2.084 302 F HA -0.064 4.463 4.527 -0.000 0.000 0.296 302 F C 1.981 177.760 175.800 -0.034 0.000 1.111 302 F CA 1.084 59.156 58.000 0.119 0.000 1.224 302 F CB -0.334 38.730 39.000 0.106 0.000 0.991 302 F HN 0.100 nan 8.300 nan 0.000 0.471 303 Y N -0.043 120.445 120.300 0.313 0.000 2.395 303 Y HA -0.086 4.464 4.550 -0.000 0.000 0.293 303 Y C 2.713 178.698 175.900 0.141 0.000 1.123 303 Y CA 1.206 59.438 58.100 0.219 0.000 1.227 303 Y CB -0.989 37.706 38.460 0.391 0.000 1.012 303 Y HN 0.011 nan 8.280 nan 0.000 0.552 304 S N -1.033 114.818 115.700 0.251 0.000 2.356 304 S HA -0.211 4.258 4.470 -0.000 0.000 0.223 304 S C 2.262 176.997 174.600 0.225 0.000 1.032 304 S CA 1.378 59.710 58.200 0.220 0.000 1.005 304 S CB -0.832 62.449 63.200 0.135 0.000 0.867 304 S HN 0.532 nan 8.310 nan 0.000 0.449 305 C N 1.064 120.411 119.300 0.078 0.000 2.413 305 C HA -0.032 4.428 4.460 -0.000 0.000 0.276 305 C C 2.532 177.538 174.990 0.026 0.000 1.248 305 C CA 0.654 59.717 59.018 0.075 0.000 1.742 305 C CB -1.301 26.429 27.740 -0.017 0.000 2.017 305 C HN 0.527 nan 8.230 nan 0.000 0.481 306 L N 0.383 121.559 121.223 -0.078 0.000 2.046 306 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 306 L C 2.319 179.250 176.870 0.102 0.000 1.077 306 L CA 2.024 56.832 54.840 -0.053 0.000 0.747 306 L CB -1.315 40.681 42.059 -0.105 0.000 0.896 306 L HN 0.571 nan 8.230 nan 0.000 0.432 307 Y N 0.055 120.376 120.300 0.036 0.000 2.181 307 Y HA -0.194 4.356 4.550 -0.000 0.000 0.288 307 Y C 2.330 178.225 175.900 -0.008 0.000 1.146 307 Y CA 1.545 59.635 58.100 -0.018 0.000 1.164 307 Y CB -0.301 38.019 38.460 -0.234 0.000 0.982 307 Y HN 0.073 nan 8.280 nan 0.000 0.515 308 R N 0.217 120.533 120.500 -0.308 0.000 2.235 308 R HA -0.000 4.339 4.340 -0.000 0.000 0.213 308 R C 1.690 177.923 176.300 -0.112 0.000 1.059 308 R CA 1.034 56.932 56.100 -0.336 0.000 0.997 308 R CB -0.553 29.713 30.300 -0.056 0.000 0.884 308 R HN 0.361 nan 8.270 nan 0.000 0.462 309 S N 0.411 116.084 115.700 -0.046 0.000 2.556 309 S HA 0.214 4.683 4.470 -0.000 0.000 0.216 309 S C 1.215 175.801 174.600 -0.023 0.000 0.970 309 S CA 0.044 58.259 58.200 0.025 0.000 0.912 309 S CB 0.313 63.550 63.200 0.061 0.000 0.790 309 S HN 0.181 nan 8.310 nan 0.000 0.504 310 L N 0.750 121.856 121.223 -0.195 0.000 3.066 310 L HA 0.410 4.750 4.340 -0.000 0.000 0.265 310 L C 0.739 177.065 176.870 -0.906 0.000 1.232 310 L CA 0.153 54.612 54.840 -0.636 0.000 1.031 310 L CB 0.055 41.644 42.059 -0.783 0.000 1.379 310 L HN 0.243 nan 8.230 nan 0.000 0.563 311 L N -1.426 119.579 121.223 -0.364 0.000 2.445 311 L HA 0.298 4.638 4.340 -0.000 0.000 0.207 311 L C 0.361 177.162 176.870 -0.115 0.000 1.053 311 L CA 0.430 55.078 54.840 -0.320 0.000 0.841 311 L CB 0.271 42.069 42.059 -0.436 0.000 1.074 311 L HN 0.047 nan 8.230 nan 0.000 0.479 312 F N 0.140 120.258 119.950 0.280 0.000 2.518 312 F HA 0.445 4.972 4.527 -0.000 0.000 0.338 312 F C -1.785 174.208 175.800 0.322 0.000 1.065 312 F CA -2.526 55.672 58.000 0.331 0.000 1.012 312 F CB -0.149 38.988 39.000 0.228 0.000 1.297 312 F HN -0.236 nan 8.300 nan 0.000 0.489 313 P HA -0.129 nan 4.420 nan 0.000 0.266 313 P C -0.964 176.716 177.300 0.634 0.000 1.162 313 P CA 0.172 63.613 63.100 0.569 0.000 0.758 313 P CB 0.483 32.491 31.700 0.513 0.000 0.774 314 R N 2.156 122.947 120.500 0.486 0.000 2.500 314 R HA 0.360 4.700 4.340 -0.000 0.000 0.275 314 R C -0.005 176.436 176.300 0.236 0.000 1.051 314 R CA -0.914 55.398 56.100 0.355 0.000 1.088 314 R CB 0.744 31.116 30.300 0.120 0.000 1.063 314 R HN 0.304 nan 8.270 nan 0.000 0.511 315 K N 1.518 121.901 120.400 -0.028 0.000 2.448 315 K HA -0.015 4.305 4.320 -0.000 0.000 0.278 315 K C -0.544 175.980 176.600 -0.127 0.000 1.009 315 K CA 0.283 56.241 56.287 -0.548 0.000 0.995 315 K CB 0.350 32.505 32.500 -0.574 0.000 0.917 315 K HN 0.514 nan 8.250 nan 0.000 0.481 316 F N 3.601 123.391 119.950 -0.266 0.000 2.814 316 F HA 0.160 4.687 4.527 -0.000 0.000 0.326 316 F C -0.922 174.950 175.800 0.120 0.000 1.159 316 F CA -0.754 57.228 58.000 -0.030 0.000 1.234 316 F CB 0.415 39.403 39.000 -0.020 0.000 1.016 316 F HN 0.466 nan 8.300 nan 0.000 0.510 317 Y N -0.955 119.371 120.300 0.044 0.000 2.549 317 Y HA 0.812 5.362 4.550 -0.000 0.000 0.339 317 Y C -0.742 175.214 175.900 0.093 0.000 1.053 317 Y CA -1.421 56.749 58.100 0.116 0.000 1.105 317 Y CB 0.853 39.409 38.460 0.160 0.000 1.258 317 Y HN 0.038 nan 8.280 nan 0.000 0.478 318 E N 1.988 122.352 120.200 0.273 0.000 2.312 318 E HA 0.433 4.783 4.350 -0.000 0.000 0.267 318 E C -1.660 175.070 176.600 0.217 0.000 0.894 318 E CA -1.275 55.220 56.400 0.158 0.000 0.773 318 E CB 2.386 32.148 29.700 0.103 0.000 1.241 318 E HN 0.407 nan 8.360 nan 0.000 0.432 319 L N 2.845 124.166 121.223 0.164 0.000 2.305 319 L HA 0.182 4.522 4.340 -0.000 0.000 0.281 319 L C 0.205 177.131 176.870 0.095 0.000 1.085 319 L CA -0.075 54.854 54.840 0.148 0.000 0.813 319 L CB 0.251 42.393 42.059 0.139 0.000 1.157 319 L HN 0.607 nan 8.230 nan 0.000 0.436 320 D N 2.178 122.623 120.400 0.075 0.000 2.478 320 D HA 0.303 4.943 4.640 -0.000 0.000 0.274 320 D C 1.044 177.370 176.300 0.043 0.000 1.234 320 D CA 0.040 54.069 54.000 0.049 0.000 1.069 320 D CB 0.485 41.304 40.800 0.033 0.000 1.113 320 D HN 0.448 nan 8.370 nan 0.000 0.571 321 A N -0.265 122.574 122.820 0.031 0.000 1.986 321 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 321 A C 1.488 179.089 177.584 0.030 0.000 1.171 321 A CA 1.377 53.431 52.037 0.028 0.000 0.640 321 A CB -0.756 18.256 19.000 0.020 0.000 0.811 321 A HN 0.577 nan 8.150 nan 0.000 0.451 322 N N -0.840 117.876 118.700 0.028 0.000 2.276 322 N HA 0.205 4.945 4.740 -0.000 0.000 0.212 322 N C 1.039 176.571 175.510 0.036 0.000 1.127 322 N CA 0.857 53.923 53.050 0.028 0.000 0.834 322 N CB 0.361 38.860 38.487 0.020 0.000 1.014 322 N HN 0.606 nan 8.380 nan 0.000 0.491 323 G N 0.716 109.544 108.800 0.047 0.000 2.166 323 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 323 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 323 G C -0.023 174.913 174.900 0.061 0.000 0.986 323 G CA 0.146 45.284 45.100 0.063 0.000 0.683 323 G HN 0.231 nan 8.290 nan 0.000 0.527 324 Q N 0.506 120.328 119.800 0.037 0.000 2.259 324 Q HA 0.411 4.751 4.340 -0.000 0.000 0.249 324 Q C -2.131 173.870 176.000 0.002 0.000 0.914 324 Q CA -2.244 53.561 55.803 0.003 0.000 0.904 324 Q CB 1.269 29.999 28.738 -0.014 0.000 1.213 324 Q HN 0.330 nan 8.270 nan 0.000 0.428 325 P HA 0.197 nan 4.420 nan 0.000 0.271 325 P C -0.451 176.833 177.300 -0.027 0.000 1.220 325 P CA 0.086 63.133 63.100 -0.089 0.000 0.768 325 P CB 0.482 31.794 31.700 -0.647 0.000 0.848 326 I N 0.511 121.155 120.570 0.123 0.000 3.174 326 I HA 0.685 4.855 4.170 -0.000 0.000 0.313 326 I C -0.725 175.546 176.117 0.256 0.000 1.155 326 I CA -1.109 60.258 61.300 0.110 0.000 0.977 326 I CB 2.713 40.735 38.000 0.035 0.000 1.248 326 I HN 0.415 nan 8.210 nan 0.000 0.453 327 H N 0.910 120.070 119.070 0.150 0.000 3.046 327 H HA 0.316 4.872 4.556 -0.000 0.000 0.361 327 H C -2.221 173.242 175.328 0.224 0.000 1.235 327 H CA -0.785 55.386 56.048 0.206 0.000 1.146 327 H CB 1.287 31.214 29.762 0.275 0.000 1.859 327 H HN 0.806 nan 8.280 nan 0.000 0.548 328 Y N 1.951 122.380 120.300 0.215 0.000 2.402 328 Y HA 0.238 4.788 4.550 -0.000 0.000 0.333 328 Y C 0.148 176.280 175.900 0.388 0.000 1.076 328 Y CA -0.008 58.219 58.100 0.211 0.000 1.299 328 Y CB 0.969 39.556 38.460 0.212 0.000 1.197 328 Y HN 0.646 nan 8.280 nan 0.000 0.517 329 S N 8.577 124.107 115.700 -0.282 0.000 2.422 329 S HA 0.244 4.714 4.470 -0.000 0.000 0.283 329 S C -1.709 172.518 174.600 -0.623 0.000 1.163 329 S CA -1.526 56.575 58.200 -0.166 0.000 1.054 329 S CB 0.550 63.744 63.200 -0.010 0.000 0.967 329 S HN 0.658 nan 8.310 nan 0.000 0.499 330 P HA -0.007 nan 4.420 nan 0.000 0.226 330 P C 0.192 177.102 177.300 -0.649 0.000 1.153 330 P CA 0.869 63.590 63.100 -0.632 0.000 0.777 330 P CB -0.006 31.134 31.700 -0.934 0.000 0.794 331 Y N 0.854 121.019 120.300 -0.225 0.000 2.269 331 Y HA -0.009 4.540 4.550 -0.000 0.000 0.294 331 Y C 1.823 177.674 175.900 -0.082 0.000 1.120 331 Y CA 1.315 59.323 58.100 -0.154 0.000 1.159 331 Y CB -0.900 37.480 38.460 -0.133 0.000 1.024 331 Y HN 0.124 nan 8.280 nan 0.000 0.532 332 N N -1.825 116.901 118.700 0.044 0.000 2.143 332 N HA 0.200 4.940 4.740 -0.000 0.000 0.229 332 N C 1.160 176.655 175.510 -0.025 0.000 1.294 332 N CA 0.486 53.551 53.050 0.025 0.000 0.883 332 N CB 0.633 39.145 38.487 0.042 0.000 1.148 332 N HN 0.246 nan 8.380 nan 0.000 0.511 333 G N -0.068 108.642 108.800 -0.150 0.000 2.162 333 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.260 333 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.260 333 G C -0.282 174.627 174.900 0.014 0.000 0.976 333 G CA 0.641 45.675 45.100 -0.110 0.000 0.655 333 G HN 0.542 nan 8.290 nan 0.000 0.533 334 Q N -0.761 119.015 119.800 -0.039 0.000 2.212 334 Q HA 0.627 4.967 4.340 -0.000 0.000 0.238 334 Q C 0.036 176.045 176.000 0.014 0.000 0.955 334 Q CA -0.753 55.061 55.803 0.019 0.000 0.906 334 Q CB 2.090 30.827 28.738 -0.002 0.000 1.215 334 Q HN 0.170 nan 8.270 nan 0.000 0.478 335 V N 2.664 122.599 119.914 0.035 0.000 2.383 335 V HA 0.390 4.510 4.120 -0.000 0.000 0.275 335 V C -0.285 175.742 176.094 -0.111 0.000 1.036 335 V CA -0.316 61.983 62.300 -0.002 0.000 0.889 335 V CB 0.359 32.208 31.823 0.044 0.000 0.985 335 V HN 0.506 nan 8.190 nan 0.000 0.459 336 L N 6.631 127.675 121.223 -0.299 0.000 2.350 336 L HA 0.646 4.986 4.340 -0.000 0.000 0.260 336 L C -2.493 174.174 176.870 -0.339 0.000 1.015 336 L CA -2.104 52.555 54.840 -0.303 0.000 0.821 336 L CB 3.030 44.929 42.059 -0.267 0.000 1.370 336 L HN 0.372 nan 8.230 nan 0.000 0.416 337 P HA 0.339 nan 4.420 nan 0.000 0.274 337 P C -0.103 177.227 177.300 0.051 0.000 1.231 337 P CA 0.287 63.356 63.100 -0.052 0.000 0.790 337 P CB 1.183 32.865 31.700 -0.031 0.000 0.951 338 G N 0.359 109.172 108.800 0.021 0.000 2.612 338 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.686 338 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.686 338 G C -1.315 173.588 174.900 0.006 0.000 1.274 338 G CA -0.967 44.110 45.100 -0.039 0.000 0.849 338 G HN 0.300 nan 8.290 nan 0.000 0.595 339 Y N -0.836 119.470 120.300 0.009 0.000 2.426 339 Y HA 0.626 5.176 4.550 -0.000 0.000 0.344 339 Y C 1.014 176.895 175.900 -0.030 0.000 1.256 339 Y CA 0.663 58.712 58.100 -0.085 0.000 1.451 339 Y CB 1.273 39.734 38.460 0.001 0.000 1.342 339 Y HN 0.866 nan 8.280 nan 0.000 0.600 340 M N 2.575 122.364 119.600 0.314 0.000 2.325 340 M HA 0.522 5.002 4.480 -0.000 0.000 0.285 340 M C -2.442 174.103 176.300 0.408 0.000 1.119 340 M CA -0.561 54.871 55.300 0.219 0.000 0.959 340 M CB 1.036 33.503 32.600 -0.220 0.000 1.737 340 M HN 0.360 nan 8.290 nan 0.000 0.486 341 F N 1.028 121.140 119.950 0.269 0.000 2.611 341 F HA 0.945 5.472 4.527 -0.000 0.000 0.324 341 F C 0.284 176.181 175.800 0.161 0.000 1.061 341 F CA -0.447 57.720 58.000 0.279 0.000 0.954 341 F CB 2.507 41.670 39.000 0.272 0.000 1.301 341 F HN 0.656 nan 8.300 nan 0.000 0.482 342 T N -0.958 113.783 114.554 0.312 0.000 2.711 342 T HA 0.388 4.738 4.350 -0.000 0.000 0.302 342 T C -1.993 172.852 174.700 0.242 0.000 1.373 342 T CA -0.472 61.698 62.100 0.117 0.000 1.000 342 T CB 1.036 69.733 68.868 -0.285 0.000 1.483 342 T HN 0.610 nan 8.240 nan 0.000 0.499 343 D N 0.745 121.272 120.400 0.211 0.000 2.798 343 D HA -0.087 4.553 4.640 -0.000 0.000 0.237 343 D C -0.551 175.918 176.300 0.280 0.000 1.092 343 D CA 1.475 55.702 54.000 0.379 0.000 0.727 343 D CB -1.327 39.804 40.800 0.552 0.000 1.087 343 D HN 0.628 nan 8.370 nan 0.000 0.437 344 T N -1.274 113.238 114.554 -0.071 0.000 2.894 344 T HA 0.644 4.994 4.350 -0.000 0.000 0.309 344 T C -0.517 173.478 174.700 -1.175 0.000 1.208 344 T CA 0.044 61.908 62.100 -0.393 0.000 1.016 344 T CB 1.802 70.665 68.868 -0.009 0.000 1.192 344 T HN 0.163 nan 8.240 nan 0.000 0.491 345 G N 2.179 110.111 108.800 -1.447 0.000 2.487 345 G HA2 0.553 4.513 3.960 -0.000 0.000 0.314 345 G HA3 0.553 4.513 3.960 -0.000 0.000 0.314 345 G C 0.247 174.871 174.900 -0.461 0.000 1.267 345 G CA -0.537 43.517 45.100 -1.744 0.000 0.937 345 G HN 0.590 nan 8.290 nan 0.000 0.481 346 F N 1.020 120.883 119.950 -0.145 0.000 2.234 346 F HA 0.088 4.615 4.527 -0.000 0.000 0.299 346 F C 2.039 178.015 175.800 0.294 0.000 1.087 346 F CA -0.208 57.850 58.000 0.098 0.000 1.340 346 F CB -0.338 38.705 39.000 0.071 0.000 1.031 346 F HN 0.741 nan 8.300 nan 0.000 0.500 347 W N 1.692 123.181 121.300 0.316 0.000 2.325 347 W HA -0.238 4.421 4.660 -0.000 0.000 0.299 347 W C 1.885 178.553 176.519 0.247 0.000 1.215 347 W CA 2.048 59.613 57.345 0.367 0.000 1.244 347 W CB -0.221 29.423 29.460 0.307 0.000 1.140 347 W HN -0.082 nan 8.180 nan 0.000 0.523 348 D N -1.483 119.078 120.400 0.269 0.000 2.149 348 D HA -0.091 4.549 4.640 -0.000 0.000 0.206 348 D C 2.070 178.327 176.300 -0.072 0.000 0.967 348 D CA 2.386 56.406 54.000 0.035 0.000 0.848 348 D CB -0.617 40.293 40.800 0.182 0.000 0.998 348 D HN 0.235 nan 8.370 nan 0.000 0.474 349 T N -0.884 113.743 114.554 0.122 0.000 3.086 349 T HA 0.046 4.396 4.350 -0.000 0.000 0.250 349 T C 1.821 176.699 174.700 0.297 0.000 1.074 349 T CA -0.343 61.894 62.100 0.227 0.000 0.988 349 T CB -0.620 68.499 68.868 0.418 0.000 0.988 349 T HN 0.220 nan 8.240 nan 0.000 0.530 350 F N 2.423 122.476 119.950 0.172 0.000 2.293 350 F HA 0.189 4.716 4.527 -0.000 0.000 0.300 350 F C 2.231 178.011 175.800 -0.034 0.000 1.086 350 F CA -0.050 57.965 58.000 0.025 0.000 1.375 350 F CB -0.396 38.552 39.000 -0.087 0.000 1.045 350 F HN -0.076 nan 8.300 nan 0.000 0.516 351 R N 0.659 120.555 120.500 -1.007 0.000 2.070 351 R HA -0.123 4.217 4.340 -0.000 0.000 0.233 351 R C 1.905 178.029 176.300 -0.293 0.000 1.137 351 R CA 2.043 57.666 56.100 -0.796 0.000 0.945 351 R CB -0.948 28.914 30.300 -0.730 0.000 0.845 351 R HN 0.662 nan 8.270 nan 0.000 0.430 352 C N -3.026 116.214 119.300 -0.101 0.000 4.403 352 C HA 0.332 4.792 4.460 -0.000 0.000 0.408 352 C C 1.965 177.094 174.990 0.232 0.000 1.714 352 C CA -0.847 58.146 59.018 -0.042 0.000 2.002 352 C CB -0.584 27.034 27.740 -0.204 0.000 3.129 352 C HN 0.358 nan 8.230 nan 0.000 0.662 353 L N 1.017 122.365 121.223 0.209 0.000 1.994 353 L HA 0.046 4.386 4.340 -0.000 0.000 0.208 353 L C 2.197 179.167 176.870 0.166 0.000 1.071 353 L CA 2.353 57.308 54.840 0.192 0.000 0.745 353 L CB -0.976 41.161 42.059 0.130 0.000 0.892 353 L HN 0.379 nan 8.230 nan 0.000 0.431 354 F N 0.405 120.464 119.950 0.181 0.000 2.163 354 F HA -0.030 4.497 4.527 -0.000 0.000 0.297 354 F C -0.256 175.654 175.800 0.184 0.000 1.094 354 F CA 1.151 59.248 58.000 0.163 0.000 1.290 354 F CB -1.790 37.265 39.000 0.092 0.000 1.017 354 F HN 0.163 nan 8.300 nan 0.000 0.483 355 P HA -0.221 nan 4.420 nan 0.000 0.216 355 P C 1.905 179.510 177.300 0.508 0.000 1.150 355 P CA 1.246 64.540 63.100 0.324 0.000 0.843 355 P CB -0.060 31.732 31.700 0.153 0.000 0.787 356 L N -1.030 120.532 121.223 0.565 0.000 2.083 356 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 356 L C 2.145 179.236 176.870 0.367 0.000 1.083 356 L CA 1.746 56.836 54.840 0.417 0.000 0.752 356 L CB -1.290 40.901 42.059 0.220 0.000 0.899 356 L HN -0.103 nan 8.230 nan 0.000 0.433 357 L N -0.703 120.734 121.223 0.357 0.000 2.046 357 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 357 L C 2.153 179.227 176.870 0.341 0.000 1.077 357 L CA 1.913 56.980 54.840 0.377 0.000 0.747 357 L CB -0.788 41.392 42.059 0.202 0.000 0.896 357 L HN 0.421 nan 8.230 nan 0.000 0.432 358 N N -0.297 118.601 118.700 0.330 0.000 2.244 358 N HA -0.184 4.556 4.740 -0.000 0.000 0.183 358 N C 1.713 177.505 175.510 0.470 0.000 1.016 358 N CA 0.570 53.811 53.050 0.317 0.000 0.866 358 N CB 0.031 38.651 38.487 0.222 0.000 0.980 358 N HN 0.140 nan 8.380 nan 0.000 0.430 359 L N 0.105 121.622 121.223 0.490 0.000 2.068 359 L HA 0.078 4.418 4.340 -0.000 0.000 0.204 359 L C 1.509 178.655 176.870 0.460 0.000 1.076 359 L CA 1.631 56.786 54.840 0.524 0.000 0.753 359 L CB -0.002 42.315 42.059 0.430 0.000 0.910 359 L HN 0.151 nan 8.230 nan 0.000 0.439 360 M N -2.377 117.314 119.600 0.151 0.000 2.304 360 M HA 0.193 4.673 4.480 -0.000 0.000 0.281 360 M C -0.256 175.699 176.300 -0.574 0.000 1.014 360 M CA 0.416 55.552 55.300 -0.273 0.000 1.054 360 M CB 0.243 32.436 32.600 -0.678 0.000 1.551 360 M HN 0.152 nan 8.290 nan 0.000 0.548 361 Y N -0.491 119.937 120.300 0.212 0.000 2.685 361 Y HA 0.315 4.865 4.550 -0.000 0.000 0.284 361 Y C -1.802 174.143 175.900 0.076 0.000 0.944 361 Y CA -1.825 56.361 58.100 0.143 0.000 1.107 361 Y CB -0.366 38.201 38.460 0.178 0.000 1.188 361 Y HN 0.028 nan 8.280 nan 0.000 0.635 362 P HA -0.167 nan 4.420 nan 0.000 0.216 362 P C 1.562 178.895 177.300 0.055 0.000 1.150 362 P CA 1.993 65.181 63.100 0.146 0.000 0.837 362 P CB 0.221 32.033 31.700 0.186 0.000 0.786 363 S N -0.213 115.517 115.700 0.049 0.000 2.374 363 S HA -0.147 4.323 4.470 -0.000 0.000 0.227 363 S C 2.075 176.626 174.600 -0.082 0.000 1.037 363 S CA 1.701 59.900 58.200 -0.001 0.000 1.024 363 S CB -1.900 61.317 63.200 0.029 0.000 0.861 363 S HN -0.004 nan 8.310 nan 0.000 0.456 364 V N 2.949 122.789 119.914 -0.123 0.000 2.358 364 V HA -0.122 3.997 4.120 -0.000 0.000 0.246 364 V C 2.596 178.462 176.094 -0.379 0.000 1.047 364 V CA 1.930 64.020 62.300 -0.349 0.000 1.035 364 V CB -1.061 30.326 31.823 -0.728 0.000 0.658 364 V HN 0.464 nan 8.190 nan 0.000 0.452 365 N N 0.577 119.148 118.700 -0.216 0.000 2.309 365 N HA -0.170 4.570 4.740 -0.000 0.000 0.182 365 N C 1.717 177.131 175.510 -0.160 0.000 1.018 365 N CA 1.295 54.254 53.050 -0.153 0.000 0.876 365 N CB -0.215 38.292 38.487 0.034 0.000 0.972 365 N HN 0.458 nan 8.380 nan 0.000 0.434 366 K N 1.212 121.531 120.400 -0.136 0.000 2.044 366 K HA -0.106 4.214 4.320 -0.000 0.000 0.210 366 K C 1.732 178.208 176.600 -0.208 0.000 1.049 366 K CA 1.576 57.788 56.287 -0.124 0.000 0.927 366 K CB -0.241 32.206 32.500 -0.087 0.000 0.713 366 K HN 0.260 nan 8.250 nan 0.000 0.443 367 E N -0.252 119.733 120.200 -0.359 0.000 2.051 367 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 367 E C 2.100 178.452 176.600 -0.413 0.000 0.991 367 E CA 1.838 57.885 56.400 -0.588 0.000 0.799 367 E CB -0.137 29.212 29.700 -0.585 0.000 0.748 367 E HN 0.391 nan 8.360 nan 0.000 0.449 368 M N 0.382 119.575 119.600 -0.679 0.000 2.117 368 M HA -0.196 4.284 4.480 -0.000 0.000 0.262 368 M C 2.317 178.516 176.300 -0.169 0.000 1.065 368 M CA 1.214 56.079 55.300 -0.726 0.000 1.114 368 M CB -0.134 32.086 32.600 -0.634 0.000 1.361 368 M HN 0.006 nan 8.290 nan 0.000 0.408 369 Q N 0.446 120.175 119.800 -0.118 0.000 2.050 369 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 369 Q C 1.939 177.967 176.000 0.045 0.000 0.980 369 Q CA 1.302 57.080 55.803 -0.041 0.000 0.840 369 Q CB -0.552 28.152 28.738 -0.057 0.000 0.898 369 Q HN 0.513 nan 8.270 nan 0.000 0.424 370 E N 0.063 120.296 120.200 0.056 0.000 2.130 370 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 370 E C 2.018 178.746 176.600 0.214 0.000 0.998 370 E CA 1.287 57.778 56.400 0.152 0.000 0.806 370 E CB -0.426 29.407 29.700 0.222 0.000 0.738 370 E HN 0.502 nan 8.360 nan 0.000 0.459 371 G N 1.210 110.156 108.800 0.242 0.000 2.422 371 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 371 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 371 G C 1.763 176.815 174.900 0.254 0.000 1.146 371 G CA 0.508 45.786 45.100 0.296 0.000 0.769 371 G HN 0.168 nan 8.290 nan 0.000 0.547 372 L N 0.417 121.789 121.223 0.249 0.000 2.046 372 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 372 L C 2.816 179.931 176.870 0.409 0.000 1.077 372 L CA 0.432 55.472 54.840 0.333 0.000 0.747 372 L CB -0.392 41.819 42.059 0.253 0.000 0.896 372 L HN 0.111 nan 8.230 nan 0.000 0.432 373 I N 0.329 121.101 120.570 0.337 0.000 2.194 373 I HA -0.325 3.844 4.170 -0.000 0.000 0.246 373 I C 2.068 178.294 176.117 0.181 0.000 1.093 373 I CA 1.826 63.293 61.300 0.277 0.000 1.355 373 I CB -1.376 36.745 38.000 0.201 0.000 1.046 373 I HN 0.402 nan 8.210 nan 0.000 0.413 374 N N -0.151 118.652 118.700 0.171 0.000 2.188 374 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 374 N C 1.676 177.227 175.510 0.069 0.000 1.018 374 N CA 1.664 54.797 53.050 0.139 0.000 0.858 374 N CB -0.039 38.553 38.487 0.174 0.000 0.989 374 N HN 0.333 nan 8.380 nan 0.000 0.426 375 T N 0.077 114.657 114.554 0.043 0.000 2.684 375 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 375 T C 1.579 176.110 174.700 -0.282 0.000 1.036 375 T CA 1.160 63.118 62.100 -0.235 0.000 1.148 375 T CB -0.532 68.237 68.868 -0.165 0.000 0.863 375 T HN 0.322 nan 8.240 nan 0.000 0.436 376 Y N 1.911 122.024 120.300 -0.311 0.000 2.128 376 Y HA -0.108 4.442 4.550 -0.000 0.000 0.284 376 Y C 2.055 177.759 175.900 -0.326 0.000 1.154 376 Y CA 1.123 58.931 58.100 -0.488 0.000 1.149 376 Y CB -0.637 37.266 38.460 -0.929 0.000 0.976 376 Y HN 0.124 nan 8.280 nan 0.000 0.505 377 L N -0.093 120.980 121.223 -0.249 0.000 2.042 377 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 377 L C 2.155 178.888 176.870 -0.227 0.000 1.076 377 L CA 2.018 56.710 54.840 -0.248 0.000 0.749 377 L CB -0.530 41.497 42.059 -0.054 0.000 0.893 377 L HN 0.310 nan 8.230 nan 0.000 0.432 378 E N -0.786 119.328 120.200 -0.144 0.000 2.318 378 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 378 E C 2.014 178.570 176.600 -0.073 0.000 0.998 378 E CA 1.087 57.452 56.400 -0.060 0.000 0.859 378 E CB 0.207 29.951 29.700 0.074 0.000 0.812 378 E HN 0.517 nan 8.360 nan 0.000 0.492 379 S N -1.694 113.902 115.700 -0.174 0.000 2.613 379 S HA 0.333 4.803 4.470 -0.000 0.000 0.235 379 S C 1.714 176.309 174.600 -0.008 0.000 1.073 379 S CA 0.234 58.421 58.200 -0.021 0.000 0.899 379 S CB 1.011 64.171 63.200 -0.066 0.000 0.818 379 S HN 0.312 nan 8.310 nan 0.000 0.484 380 G N 0.614 109.203 108.800 -0.350 0.000 2.234 380 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.235 380 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.235 380 G C -0.126 174.341 174.900 -0.721 0.000 0.997 380 G CA 0.078 44.799 45.100 -0.631 0.000 0.623 380 G HN 0.484 nan 8.290 nan 0.000 0.514 381 F N -0.408 119.438 119.950 -0.173 0.000 2.603 381 F HA 0.809 5.335 4.527 -0.000 0.000 0.317 381 F C 0.106 175.959 175.800 0.088 0.000 1.066 381 F CA -1.472 56.562 58.000 0.058 0.000 0.941 381 F CB 1.130 40.151 39.000 0.035 0.000 1.291 381 F HN -0.066 nan 8.300 nan 0.000 0.472 382 F N 3.158 123.358 119.950 0.416 0.000 2.418 382 F HA 0.374 4.901 4.527 -0.000 0.000 0.341 382 F C -1.847 174.160 175.800 0.345 0.000 1.120 382 F CA -2.181 55.993 58.000 0.290 0.000 1.232 382 F CB 0.199 39.287 39.000 0.146 0.000 1.175 382 F HN 0.096 nan 8.300 nan 0.000 0.569 383 P HA 0.158 nan 4.420 nan 0.000 0.277 383 P C -0.503 177.046 177.300 0.414 0.000 1.240 383 P CA -0.161 63.255 63.100 0.527 0.000 0.798 383 P CB 1.785 33.718 31.700 0.389 0.000 0.979 384 E N 0.693 121.065 120.200 0.286 0.000 2.290 384 E HA 0.087 4.437 4.350 -0.000 0.000 0.195 384 E C -0.211 176.401 176.600 0.019 0.000 0.938 384 E CA 0.819 57.366 56.400 0.244 0.000 1.018 384 E CB -0.071 29.797 29.700 0.281 0.000 1.042 384 E HN 0.504 nan 8.360 nan 0.000 0.483 385 W N 0.669 122.001 121.300 0.053 0.000 2.475 385 W HA 0.572 5.231 4.660 -0.000 0.000 0.317 385 W C -0.940 175.584 176.519 0.008 0.000 1.046 385 W CA -0.396 56.950 57.345 0.001 0.000 1.215 385 W CB 1.604 31.082 29.460 0.031 0.000 1.335 385 W HN -0.017 nan 8.180 nan 0.000 0.471 386 A N 3.465 126.509 122.820 0.373 0.000 2.335 386 A HA 0.690 5.009 4.320 -0.000 0.000 0.304 386 A C -1.068 176.651 177.584 0.225 0.000 1.118 386 A CA -0.509 51.656 52.037 0.213 0.000 0.757 386 A CB 1.734 20.787 19.000 0.087 0.000 1.188 386 A HN 0.301 nan 8.150 nan 0.000 0.460 387 S N 4.347 120.064 115.700 0.029 0.000 2.706 387 S HA 0.573 5.042 4.470 -0.000 0.000 0.270 387 S C -1.784 172.537 174.600 -0.465 0.000 1.163 387 S CA -1.012 57.145 58.200 -0.072 0.000 1.042 387 S CB 1.486 64.728 63.200 0.070 0.000 1.079 387 S HN 0.469 nan 8.310 nan 0.000 0.474 388 P HA -0.149 nan 4.420 nan 0.000 0.222 388 P C 0.994 177.801 177.300 -0.821 0.000 1.159 388 P CA 1.826 64.350 63.100 -0.960 0.000 0.920 388 P CB -0.378 30.523 31.700 -1.332 0.000 0.793 389 G N -1.439 106.899 108.800 -0.770 0.000 2.510 389 G HA2 0.182 4.142 3.960 -0.000 0.000 0.280 389 G HA3 0.182 4.142 3.960 -0.000 0.000 0.280 389 G C -0.450 174.255 174.900 -0.324 0.000 1.386 389 G CA -0.437 44.175 45.100 -0.814 0.000 1.047 389 G HN 0.209 nan 8.290 nan 0.000 0.527 390 H N 0.769 119.851 119.070 0.019 0.000 2.964 390 H HA 0.212 4.768 4.556 -0.000 0.000 0.328 390 H C 0.364 175.642 175.328 -0.084 0.000 1.030 390 H CA 0.495 56.552 56.048 0.014 0.000 1.445 390 H CB 0.503 30.201 29.762 -0.107 0.000 1.449 390 H HN 0.147 nan 8.280 nan 0.000 0.581 391 R N 1.351 121.913 120.500 0.104 0.000 2.807 391 R HA 0.346 4.686 4.340 -0.000 0.000 0.276 391 R C 0.267 176.576 176.300 0.014 0.000 0.979 391 R CA -0.997 55.103 56.100 0.000 0.000 0.928 391 R CB 2.080 32.344 30.300 -0.060 0.000 1.191 391 R HN 0.773 nan 8.270 nan 0.000 0.471 392 G N 0.582 109.356 108.800 -0.043 0.000 2.457 392 G HA2 0.395 4.355 3.960 -0.000 0.000 0.316 392 G HA3 0.395 4.355 3.960 -0.000 0.000 0.316 392 G C -0.642 174.224 174.900 -0.056 0.000 1.030 392 G CA -0.112 44.971 45.100 -0.028 0.000 1.073 392 G HN 0.447 nan 8.290 nan 0.000 0.430 393 C N 4.991 124.286 119.300 -0.009 0.000 2.931 393 C HA 0.700 5.160 4.460 -0.000 0.000 0.370 393 C C -0.121 174.925 174.990 0.092 0.000 1.071 393 C CA -0.510 58.469 59.018 -0.065 0.000 1.266 393 C CB 0.551 28.049 27.740 -0.402 0.000 1.691 393 C HN 0.976 nan 8.230 nan 0.000 0.511 394 M N 2.855 122.426 119.600 -0.049 0.000 7.319 394 M HA -0.136 4.344 4.480 -0.000 0.000 0.129 394 M C -0.153 176.101 176.300 -0.077 0.000 0.480 394 M CA 1.750 56.935 55.300 -0.191 0.000 1.311 394 M CB -2.045 30.446 32.600 -0.183 0.000 0.421 394 M HN 1.579 nan 8.290 nan 0.000 0.500 395 V N -3.146 116.717 119.914 -0.085 0.000 3.202 395 V HA 1.042 5.161 4.120 -0.000 0.000 0.306 395 V C 0.198 176.476 176.094 0.306 0.000 1.283 395 V CA 0.552 62.904 62.300 0.086 0.000 1.065 395 V CB 1.243 33.073 31.823 0.011 0.000 1.079 395 V HN 2.689 nan 8.190 nan 0.000 0.448 396 G N 1.297 110.255 108.800 0.263 0.000 2.707 396 G HA2 -0.009 3.950 3.960 -0.000 0.000 0.686 396 G HA3 -0.009 3.950 3.960 -0.000 0.000 0.686 396 G C -0.583 174.553 174.900 0.394 0.000 1.315 396 G CA 0.142 45.449 45.100 0.344 0.000 0.832 396 G HN 1.955 nan 8.290 nan 0.000 0.573 397 N N 0.091 119.002 118.700 0.351 0.000 2.598 397 N HA 0.167 4.907 4.740 -0.000 0.000 0.309 397 N C 0.970 176.502 175.510 0.036 0.000 1.645 397 N CA -0.062 53.102 53.050 0.190 0.000 0.936 397 N CB -0.433 38.102 38.487 0.080 0.000 1.323 397 N HN 0.498 nan 8.380 nan 0.000 0.497 398 N N -1.163 117.567 118.700 0.051 0.000 2.521 398 N HA -0.084 4.656 4.740 -0.000 0.000 0.188 398 N C 1.546 176.874 175.510 -0.304 0.000 1.146 398 N CA 0.537 53.473 53.050 -0.191 0.000 0.893 398 N CB 0.293 38.669 38.487 -0.185 0.000 0.975 398 N HN 0.313 nan 8.380 nan 0.000 0.451 399 S N 0.342 115.919 115.700 -0.205 0.000 2.420 399 S HA -0.189 4.281 4.470 -0.000 0.000 0.237 399 S C 2.115 176.362 174.600 -0.588 0.000 1.023 399 S CA 0.912 58.804 58.200 -0.513 0.000 0.991 399 S CB -0.421 62.707 63.200 -0.120 0.000 0.792 399 S HN 0.369 nan 8.310 nan 0.000 0.488 400 A N 1.600 124.158 122.820 -0.436 0.000 1.902 400 A HA -0.044 4.275 4.320 -0.000 0.000 0.217 400 A C 2.466 179.749 177.584 -0.502 0.000 1.181 400 A CA 1.926 53.682 52.037 -0.468 0.000 0.623 400 A CB -1.334 17.424 19.000 -0.402 0.000 0.818 400 A HN 0.608 nan 8.150 nan 0.000 0.443 401 S N -0.432 114.957 115.700 -0.518 0.000 2.355 401 S HA -0.113 4.357 4.470 -0.000 0.000 0.222 401 S C 1.972 176.345 174.600 -0.378 0.000 1.031 401 S CA 1.272 59.208 58.200 -0.441 0.000 0.993 401 S CB -0.459 62.495 63.200 -0.411 0.000 0.859 401 S HN 0.393 nan 8.310 nan 0.000 0.453 402 I N 1.670 121.922 120.570 -0.530 0.000 2.118 402 I HA -0.212 3.958 4.170 -0.000 0.000 0.241 402 I C 2.419 178.213 176.117 -0.537 0.000 1.070 402 I CA 1.527 62.424 61.300 -0.672 0.000 1.327 402 I CB -1.379 35.848 38.000 -1.287 0.000 1.034 402 I HN 0.369 nan 8.210 nan 0.000 0.405 403 L N -0.173 120.702 121.223 -0.580 0.000 2.027 403 L HA -0.165 4.175 4.340 -0.000 0.000 0.206 403 L C 2.618 179.297 176.870 -0.318 0.000 1.074 403 L CA 0.863 55.414 54.840 -0.482 0.000 0.745 403 L CB -0.530 41.145 42.059 -0.641 0.000 0.898 403 L HN 0.018 nan 8.230 nan 0.000 0.433 404 V N -0.315 119.399 119.914 -0.334 0.000 2.379 404 V HA -0.271 3.849 4.120 -0.000 0.000 0.245 404 V C 2.141 178.134 176.094 -0.168 0.000 1.044 404 V CA 1.919 64.064 62.300 -0.260 0.000 1.036 404 V CB -0.418 31.205 31.823 -0.333 0.000 0.664 404 V HN 0.475 nan 8.190 nan 0.000 0.453 405 D N 0.540 120.837 120.400 -0.172 0.000 2.123 405 D HA -0.172 4.468 4.640 -0.000 0.000 0.196 405 D C 2.122 178.359 176.300 -0.104 0.000 0.992 405 D CA 1.681 55.611 54.000 -0.117 0.000 0.833 405 D CB -0.128 40.623 40.800 -0.082 0.000 0.954 405 D HN 0.357 nan 8.370 nan 0.000 0.455 406 A N -0.653 122.106 122.820 -0.101 0.000 1.865 406 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 406 A C 2.316 179.866 177.584 -0.058 0.000 1.191 406 A CA 1.706 53.702 52.037 -0.069 0.000 0.623 406 A CB -1.483 17.471 19.000 -0.078 0.000 0.826 406 A HN 0.500 nan 8.150 nan 0.000 0.444 407 Y N -0.047 120.158 120.300 -0.158 0.000 2.128 407 Y HA -0.230 4.320 4.550 -0.000 0.000 0.284 407 Y C 2.358 178.172 175.900 -0.144 0.000 1.154 407 Y CA 2.248 60.264 58.100 -0.141 0.000 1.149 407 Y CB -0.174 38.192 38.460 -0.157 0.000 0.976 407 Y HN 0.216 nan 8.280 nan 0.000 0.505 408 M N 0.326 119.960 119.600 0.055 0.000 2.446 408 M HA -0.091 4.389 4.480 -0.000 0.000 0.263 408 M C 1.798 177.998 176.300 -0.165 0.000 1.066 408 M CA 1.825 57.101 55.300 -0.041 0.000 1.087 408 M CB -1.345 31.204 32.600 -0.084 0.000 1.406 408 M HN 0.395 nan 8.290 nan 0.000 0.459 409 K N -0.340 119.932 120.400 -0.214 0.000 2.437 409 K HA 0.501 4.821 4.320 -0.000 0.000 0.205 409 K C 1.275 177.746 176.600 -0.215 0.000 1.026 409 K CA 0.657 56.727 56.287 -0.362 0.000 1.153 409 K CB -0.677 31.525 32.500 -0.496 0.000 0.863 409 K HN 0.571 nan 8.250 nan 0.000 0.502 410 G N -0.892 107.801 108.800 -0.180 0.000 2.176 410 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.232 410 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.232 410 G C 0.211 175.041 174.900 -0.116 0.000 0.986 410 G CA 0.086 45.110 45.100 -0.125 0.000 0.643 410 G HN 0.735 nan 8.290 nan 0.000 0.522 411 V N 2.214 122.059 119.914 -0.115 0.000 2.284 411 V HA 0.402 4.522 4.120 -0.000 0.000 0.260 411 V C 0.401 176.418 176.094 -0.128 0.000 1.084 411 V CA -0.135 62.117 62.300 -0.080 0.000 0.894 411 V CB 0.851 32.658 31.823 -0.026 0.000 1.119 411 V HN 0.288 nan 8.190 nan 0.000 0.484 412 K N 3.517 123.823 120.400 -0.156 0.000 2.274 412 K HA 0.587 4.907 4.320 -0.000 0.000 0.262 412 K C -0.181 176.406 176.600 -0.022 0.000 0.961 412 K CA -0.669 55.525 56.287 -0.156 0.000 0.833 412 K CB 2.467 34.758 32.500 -0.349 0.000 1.102 412 K HN 0.534 nan 8.250 nan 0.000 0.436 413 V N -0.379 119.567 119.914 0.053 0.000 3.051 413 V HA 0.048 4.168 4.120 -0.000 0.000 0.306 413 V C 0.670 176.809 176.094 0.074 0.000 1.083 413 V CA -0.110 62.229 62.300 0.066 0.000 1.104 413 V CB 0.784 32.657 31.823 0.083 0.000 1.027 413 V HN 0.671 nan 8.190 nan 0.000 0.483 414 D N 0.549 120.991 120.400 0.070 0.000 2.117 414 D HA -0.067 4.572 4.640 -0.000 0.000 0.198 414 D C 0.832 177.170 176.300 0.064 0.000 0.982 414 D CA 1.676 55.713 54.000 0.061 0.000 0.828 414 D CB -0.138 40.697 40.800 0.058 0.000 0.967 414 D HN 0.839 nan 8.370 nan 0.000 0.464 415 D N 0.359 120.800 120.400 0.070 0.000 2.563 415 D HA 0.115 4.755 4.640 -0.000 0.000 0.222 415 D C 1.279 177.613 176.300 0.057 0.000 1.145 415 D CA -0.186 53.850 54.000 0.060 0.000 1.001 415 D CB -0.158 40.679 40.800 0.063 0.000 1.049 415 D HN 0.095 nan 8.370 nan 0.000 0.515 416 I N 1.606 122.207 120.570 0.053 0.000 2.394 416 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 416 I C 2.433 178.551 176.117 0.002 0.000 1.136 416 I CA 0.546 61.864 61.300 0.030 0.000 1.425 416 I CB -0.011 38.009 38.000 0.034 0.000 1.079 416 I HN 0.244 nan 8.210 nan 0.000 0.425 417 K N 1.001 121.404 120.400 0.006 0.000 2.032 417 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 417 K C 2.055 178.667 176.600 0.020 0.000 1.048 417 K CA 2.109 58.401 56.287 0.007 0.000 0.927 417 K CB -0.101 32.403 32.500 0.005 0.000 0.712 417 K HN 0.247 nan 8.250 nan 0.000 0.441 418 T N 2.108 116.670 114.554 0.014 0.000 2.821 418 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 418 T C 1.665 176.305 174.700 -0.100 0.000 1.046 418 T CA 1.159 63.249 62.100 -0.016 0.000 1.139 418 T CB -0.224 68.668 68.868 0.039 0.000 0.871 418 T HN 0.190 nan 8.240 nan 0.000 0.454 419 L N 0.445 121.666 121.223 -0.004 0.000 2.012 419 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 419 L C 2.120 178.966 176.870 -0.041 0.000 1.073 419 L CA 1.778 56.638 54.840 0.034 0.000 0.748 419 L CB -1.076 40.983 42.059 0.001 0.000 0.891 419 L HN 0.264 nan 8.230 nan 0.000 0.431 420 Y N 0.593 120.791 120.300 -0.170 0.000 2.200 420 Y HA -0.182 4.368 4.550 -0.000 0.000 0.290 420 Y C 2.471 178.268 175.900 -0.172 0.000 1.137 420 Y CA 2.087 60.068 58.100 -0.198 0.000 1.163 420 Y CB -0.129 38.214 38.460 -0.195 0.000 0.988 420 Y HN 0.399 nan 8.280 nan 0.000 0.518 421 E N -0.675 119.477 120.200 -0.079 0.000 2.085 421 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 421 E C 2.417 178.832 176.600 -0.310 0.000 0.994 421 E CA 1.022 57.337 56.400 -0.142 0.000 0.801 421 E CB -0.595 29.067 29.700 -0.065 0.000 0.743 421 E HN 0.632 nan 8.360 nan 0.000 0.453 422 G N 1.551 109.991 108.800 -0.600 0.000 2.446 422 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 422 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 422 G C 1.605 176.371 174.900 -0.224 0.000 1.168 422 G CA 0.680 45.200 45.100 -0.967 0.000 0.771 422 G HN 0.082 nan 8.290 nan 0.000 0.551 423 L N 0.367 121.499 121.223 -0.152 0.000 2.012 423 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 423 L C 2.849 179.541 176.870 -0.296 0.000 1.073 423 L CA 0.735 55.425 54.840 -0.251 0.000 0.748 423 L CB -0.358 41.414 42.059 -0.479 0.000 0.891 423 L HN 0.148 nan 8.230 nan 0.000 0.431 424 I N -0.935 119.405 120.570 -0.384 0.000 2.315 424 I HA -0.309 3.860 4.170 -0.000 0.000 0.248 424 I C 2.544 178.580 176.117 -0.134 0.000 1.117 424 I CA 1.511 62.658 61.300 -0.254 0.000 1.404 424 I CB -1.553 36.299 38.000 -0.247 0.000 1.071 424 I HN 0.454 nan 8.210 nan 0.000 0.419 425 H N 1.528 120.471 119.070 -0.211 0.000 2.387 425 H HA -0.130 4.426 4.556 -0.000 0.000 0.299 425 H C 2.081 177.280 175.328 -0.215 0.000 1.099 425 H CA 1.849 57.773 56.048 -0.206 0.000 1.315 425 H CB 0.035 29.681 29.762 -0.192 0.000 1.380 425 H HN 0.314 nan 8.280 nan 0.000 0.513 426 G N -0.389 108.354 108.800 -0.095 0.000 2.598 426 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.215 426 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.215 426 G C 1.763 176.554 174.900 -0.182 0.000 1.131 426 G CA 1.058 46.126 45.100 -0.054 0.000 0.785 426 G HN 0.603 nan 8.290 nan 0.000 0.539 427 T N -3.466 110.963 114.554 -0.209 0.000 3.067 427 T HA 0.340 4.689 4.350 -0.000 0.000 0.261 427 T C 1.500 176.013 174.700 -0.311 0.000 1.110 427 T CA 1.545 63.531 62.100 -0.190 0.000 1.113 427 T CB 0.278 69.147 68.868 0.002 0.000 0.917 427 T HN 0.377 nan 8.240 nan 0.000 0.499 428 E N 0.801 120.684 120.200 -0.529 0.000 2.758 428 E HA 0.352 4.702 4.350 -0.000 0.000 0.215 428 E C 0.001 175.728 176.600 -1.456 0.000 0.985 428 E CA -0.714 55.127 56.400 -0.933 0.000 1.102 428 E CB -0.042 29.447 29.700 -0.351 0.000 1.042 428 E HN 0.604 nan 8.360 nan 0.000 0.480 429 N N -0.771 117.278 118.700 -1.084 0.000 2.396 429 N HA 0.560 5.300 4.740 -0.000 0.000 0.275 429 N C -1.699 173.747 175.510 -0.108 0.000 1.218 429 N CA -0.467 52.231 53.050 -0.587 0.000 0.812 429 N CB 2.312 40.488 38.487 -0.518 0.000 1.592 429 N HN 0.168 nan 8.380 nan 0.000 0.480 430 V N 0.720 120.706 119.914 0.119 0.000 2.735 430 V HA 0.307 4.427 4.120 -0.000 0.000 0.310 430 V C -0.601 175.489 176.094 -0.007 0.000 1.061 430 V CA -0.557 61.810 62.300 0.111 0.000 0.913 430 V CB 1.615 33.530 31.823 0.154 0.000 1.005 430 V HN 0.832 nan 8.190 nan 0.000 0.428 431 H N 7.672 126.416 119.070 -0.545 0.000 3.034 431 H HA 0.229 4.785 4.556 -0.000 0.000 0.324 431 H C -1.800 173.412 175.328 -0.193 0.000 1.015 431 H CA -0.233 55.432 56.048 -0.637 0.000 1.429 431 H CB 1.622 30.867 29.762 -0.862 0.000 1.429 431 H HN 0.522 nan 8.280 nan 0.000 0.585 432 P HA -0.124 nan 4.420 nan 0.000 0.218 432 P C 0.337 177.696 177.300 0.099 0.000 1.148 432 P CA 1.360 64.440 63.100 -0.033 0.000 0.822 432 P CB 0.409 32.052 31.700 -0.095 0.000 0.784 433 E N -2.002 118.386 120.200 0.314 0.000 2.399 433 E HA 0.093 4.443 4.350 -0.000 0.000 0.205 433 E C 0.009 176.673 176.600 0.106 0.000 0.906 433 E CA 0.170 56.690 56.400 0.200 0.000 0.998 433 E CB 0.308 30.118 29.700 0.183 0.000 1.002 433 E HN -0.093 nan 8.360 nan 0.000 0.501 434 V N 2.582 122.530 119.914 0.058 0.000 2.277 434 V HA 0.079 4.199 4.120 -0.000 0.000 0.269 434 V C 1.000 177.045 176.094 -0.082 0.000 1.036 434 V CA 0.134 62.351 62.300 -0.138 0.000 0.821 434 V CB 1.064 32.653 31.823 -0.390 0.000 1.052 434 V HN 0.275 nan 8.190 nan 0.000 0.462 435 S N 2.467 118.157 115.700 -0.016 0.000 2.515 435 S HA -0.099 4.371 4.470 -0.000 0.000 0.231 435 S C 1.681 176.296 174.600 0.025 0.000 0.987 435 S CA 0.958 59.167 58.200 0.015 0.000 0.936 435 S CB -0.150 63.070 63.200 0.034 0.000 0.766 435 S HN 0.842 nan 8.310 nan 0.000 0.528 436 S N -0.085 115.623 115.700 0.014 0.000 2.605 436 S HA 0.207 4.677 4.470 -0.000 0.000 0.217 436 S C 0.301 174.936 174.600 0.058 0.000 0.958 436 S CA -0.435 57.804 58.200 0.066 0.000 0.919 436 S CB -0.296 62.960 63.200 0.094 0.000 0.780 436 S HN 0.355 nan 8.310 nan 0.000 0.507 437 T N 2.513 117.031 114.554 -0.061 0.000 2.770 437 T HA 0.668 5.018 4.350 -0.000 0.000 0.283 437 T C 0.531 175.126 174.700 -0.175 0.000 0.988 437 T CA 0.313 62.312 62.100 -0.168 0.000 0.957 437 T CB 0.898 69.460 68.868 -0.510 0.000 0.930 437 T HN 0.808 nan 8.240 nan 0.000 0.443 438 G N 3.331 112.170 108.800 0.066 0.000 2.681 438 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.220 438 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.220 438 G C -0.819 174.144 174.900 0.105 0.000 1.353 438 G CA -0.915 44.297 45.100 0.187 0.000 0.872 438 G HN 0.785 nan 8.290 nan 0.000 0.557 439 R N -0.209 120.313 120.500 0.037 0.000 2.278 439 R HA 0.415 4.755 4.340 -0.000 0.000 0.322 439 R C 0.204 176.641 176.300 0.229 0.000 1.058 439 R CA -0.792 55.328 56.100 0.034 0.000 0.991 439 R CB 1.109 31.171 30.300 -0.397 0.000 1.140 439 R HN 0.545 nan 8.270 nan 0.000 0.518 440 L N 2.076 123.464 121.223 0.276 0.000 2.540 440 L HA 0.138 4.477 4.340 -0.000 0.000 0.276 440 L C 1.186 178.245 176.870 0.313 0.000 1.212 440 L CA 1.641 56.636 54.840 0.259 0.000 0.893 440 L CB 0.545 42.710 42.059 0.177 0.000 1.138 440 L HN 0.926 nan 8.230 nan 0.000 0.491 441 G N 3.397 112.353 108.800 0.259 0.000 2.143 441 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.249 441 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.249 441 G C 0.555 175.598 174.900 0.240 0.000 0.981 441 G CA 0.803 46.061 45.100 0.264 0.000 0.665 441 G HN 1.170 nan 8.290 nan 0.000 0.528 442 Y N 0.038 120.417 120.300 0.131 0.000 2.315 442 Y HA 0.139 4.689 4.550 -0.000 0.000 0.288 442 Y C 2.108 178.067 175.900 0.099 0.000 1.154 442 Y CA 1.684 59.827 58.100 0.072 0.000 1.229 442 Y CB -0.497 37.934 38.460 -0.049 0.000 0.980 442 Y HN 0.341 nan 8.280 nan 0.000 0.540 443 E N 0.493 120.241 120.200 -0.754 0.000 2.023 443 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 443 E C 1.908 178.326 176.600 -0.304 0.000 1.003 443 E CA 2.159 58.190 56.400 -0.616 0.000 0.809 443 E CB -0.816 28.447 29.700 -0.728 0.000 0.755 443 E HN 0.634 nan 8.360 nan 0.000 0.449 444 Y N -0.676 119.531 120.300 -0.155 0.000 2.097 444 Y HA -0.272 4.277 4.550 -0.000 0.000 0.282 444 Y C 2.335 178.181 175.900 -0.091 0.000 1.152 444 Y CA 1.763 59.783 58.100 -0.134 0.000 1.136 444 Y CB -0.858 37.529 38.460 -0.122 0.000 0.975 444 Y HN 0.163 nan 8.280 nan 0.000 0.498 445 Y N 1.148 121.504 120.300 0.094 0.000 2.081 445 Y HA -0.344 4.206 4.550 -0.000 0.000 0.280 445 Y C 2.004 177.926 175.900 0.037 0.000 1.163 445 Y CA 2.219 60.378 58.100 0.098 0.000 1.135 445 Y CB -0.882 37.717 38.460 0.230 0.000 0.970 445 Y HN 0.197 nan 8.280 nan 0.000 0.498 446 N N -0.296 118.478 118.700 0.125 0.000 2.166 446 N HA -0.196 4.543 4.740 -0.000 0.000 0.186 446 N C 1.881 177.329 175.510 -0.104 0.000 1.019 446 N CA 1.234 54.281 53.050 -0.005 0.000 0.856 446 N CB -0.197 38.338 38.487 0.080 0.000 0.993 446 N HN 0.361 nan 8.380 nan 0.000 0.426 447 K N 0.553 120.886 120.400 -0.110 0.000 2.067 447 K HA 0.007 4.327 4.320 -0.000 0.000 0.203 447 K C 1.336 177.848 176.600 -0.147 0.000 1.048 447 K CA 0.758 56.967 56.287 -0.130 0.000 0.954 447 K CB 0.299 32.709 32.500 -0.152 0.000 0.737 447 K HN 0.044 nan 8.250 nan 0.000 0.444 448 L N -0.606 120.499 121.223 -0.197 0.000 2.463 448 L HA 0.230 4.570 4.340 -0.000 0.000 0.219 448 L C 1.458 178.203 176.870 -0.207 0.000 1.088 448 L CA 1.459 56.142 54.840 -0.262 0.000 0.849 448 L CB -0.087 41.640 42.059 -0.553 0.000 1.012 448 L HN 0.637 nan 8.230 nan 0.000 0.468 449 G N 0.060 108.710 108.800 -0.251 0.000 2.176 449 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.232 449 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.232 449 G C 0.093 174.954 174.900 -0.064 0.000 0.986 449 G CA 0.387 45.354 45.100 -0.222 0.000 0.643 449 G HN 0.438 nan 8.290 nan 0.000 0.522 450 Y N -2.670 117.596 120.300 -0.057 0.000 2.689 450 Y HA 0.680 5.230 4.550 -0.000 0.000 0.333 450 Y C -0.607 175.419 175.900 0.211 0.000 1.208 450 Y CA -1.680 56.501 58.100 0.134 0.000 1.055 450 Y CB 0.954 39.448 38.460 0.058 0.000 1.304 450 Y HN 0.386 nan 8.280 nan 0.000 0.455 451 V N 3.195 123.328 119.914 0.365 0.000 2.348 451 V HA 0.395 4.515 4.120 -0.000 0.000 0.270 451 V C -2.281 173.897 176.094 0.141 0.000 1.037 451 V CA -1.993 60.407 62.300 0.166 0.000 0.872 451 V CB 0.761 32.673 31.823 0.147 0.000 1.002 451 V HN 0.576 nan 8.190 nan 0.000 0.464 452 P HA -0.055 nan 4.420 nan 0.000 0.266 452 P C 0.122 177.426 177.300 0.007 0.000 1.193 452 P CA 0.259 63.384 63.100 0.042 0.000 0.770 452 P CB 0.403 31.953 31.700 -0.250 0.000 0.836 453 Y N 2.651 122.925 120.300 -0.044 0.000 2.516 453 Y HA -0.067 4.483 4.550 -0.000 0.000 0.291 453 Y C 0.749 176.597 175.900 -0.086 0.000 1.131 453 Y CA 1.104 59.153 58.100 -0.085 0.000 1.281 453 Y CB 0.033 38.449 38.460 -0.075 0.000 1.013 453 Y HN 0.270 nan 8.280 nan 0.000 0.554 454 D N -0.342 120.045 120.400 -0.022 0.000 2.696 454 D HA 0.062 4.702 4.640 -0.000 0.000 0.269 454 D C 0.296 176.525 176.300 -0.118 0.000 1.319 454 D CA 0.372 54.337 54.000 -0.058 0.000 0.826 454 D CB -0.508 40.329 40.800 0.061 0.000 1.086 454 D HN 0.197 nan 8.370 nan 0.000 0.481 455 V N -2.996 116.794 119.914 -0.206 0.000 3.006 455 V HA 0.463 4.583 4.120 -0.000 0.000 0.357 455 V C 0.428 176.428 176.094 -0.158 0.000 1.377 455 V CA -0.777 61.388 62.300 -0.225 0.000 1.198 455 V CB -0.105 31.392 31.823 -0.543 0.000 1.216 455 V HN 0.013 nan 8.190 nan 0.000 0.520 456 K N 0.316 120.633 120.400 -0.139 0.000 3.230 456 K HA -0.141 4.179 4.320 -0.000 0.000 0.285 456 K C -0.348 176.198 176.600 -0.089 0.000 1.196 456 K CA 1.078 57.307 56.287 -0.097 0.000 0.838 456 K CB -2.120 30.351 32.500 -0.047 0.000 1.262 456 K HN 0.811 nan 8.250 nan 0.000 0.492 457 I N 1.524 122.015 120.570 -0.131 0.000 2.382 457 I HA 0.215 4.385 4.170 -0.000 0.000 0.285 457 I C 0.147 176.183 176.117 -0.134 0.000 1.007 457 I CA -0.975 60.266 61.300 -0.098 0.000 1.142 457 I CB 1.397 39.350 38.000 -0.078 0.000 1.289 457 I HN -0.023 nan 8.210 nan 0.000 0.453 458 N N 4.950 123.589 118.700 -0.103 0.000 2.525 458 N HA 0.166 4.905 4.740 -0.000 0.000 0.271 458 N C 0.156 175.574 175.510 -0.154 0.000 1.194 458 N CA -0.037 52.934 53.050 -0.132 0.000 0.964 458 N CB 0.714 39.178 38.487 -0.039 0.000 1.126 458 N HN 0.500 nan 8.380 nan 0.000 0.452 459 E N -0.876 119.185 120.200 -0.233 0.000 2.694 459 E HA -0.237 4.113 4.350 -0.000 0.000 0.272 459 E C 0.673 177.120 176.600 -0.254 0.000 1.040 459 E CA 0.555 56.805 56.400 -0.250 0.000 0.809 459 E CB -1.413 28.188 29.700 -0.164 0.000 1.389 459 E HN 0.716 nan 8.360 nan 0.000 0.413 460 N N 0.152 118.710 118.700 -0.236 0.000 2.104 460 N HA -0.249 4.491 4.740 -0.000 0.000 0.190 460 N C 1.893 177.289 175.510 -0.191 0.000 1.024 460 N CA 1.580 54.528 53.050 -0.169 0.000 0.853 460 N CB -0.258 38.158 38.487 -0.118 0.000 1.008 460 N HN 0.282 nan 8.380 nan 0.000 0.424 461 A N 1.486 124.108 122.820 -0.331 0.000 1.902 461 A HA 0.121 4.441 4.320 -0.000 0.000 0.217 461 A C 2.573 179.972 177.584 -0.307 0.000 1.181 461 A CA 1.933 53.744 52.037 -0.376 0.000 0.623 461 A CB -0.903 17.601 19.000 -0.828 0.000 0.818 461 A HN 0.502 nan 8.150 nan 0.000 0.443 462 A N -0.235 122.309 122.820 -0.459 0.000 1.930 462 A HA -0.133 4.186 4.320 -0.000 0.000 0.217 462 A C 2.243 179.728 177.584 -0.164 0.000 1.175 462 A CA 1.440 53.201 52.037 -0.459 0.000 0.627 462 A CB -0.424 18.182 19.000 -0.656 0.000 0.815 462 A HN 0.560 nan 8.150 nan 0.000 0.443 463 R N -0.866 119.476 120.500 -0.263 0.000 2.073 463 R HA -0.078 4.262 4.340 -0.000 0.000 0.234 463 R C 2.306 178.224 176.300 -0.637 0.000 1.134 463 R CA 1.812 57.588 56.100 -0.540 0.000 0.952 463 R CB -0.882 29.064 30.300 -0.589 0.000 0.850 463 R HN 0.509 nan 8.270 nan 0.000 0.433 464 T N 1.926 116.356 114.554 -0.207 0.000 2.652 464 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 464 T C 1.946 176.807 174.700 0.269 0.000 1.039 464 T CA 1.287 63.481 62.100 0.157 0.000 1.153 464 T CB -0.273 68.768 68.868 0.287 0.000 0.863 464 T HN 0.112 nan 8.240 nan 0.000 0.428 465 L N 0.573 121.937 121.223 0.235 0.000 2.012 465 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 465 L C 2.813 179.928 176.870 0.408 0.000 1.073 465 L CA 1.553 56.611 54.840 0.363 0.000 0.748 465 L CB -0.543 41.742 42.059 0.376 0.000 0.891 465 L HN 0.351 nan 8.230 nan 0.000 0.431 466 E N -1.069 119.329 120.200 0.330 0.000 2.107 466 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 466 E C 2.204 179.008 176.600 0.340 0.000 0.982 466 E CA 0.866 57.492 56.400 0.377 0.000 0.809 466 E CB -0.083 29.834 29.700 0.360 0.000 0.756 466 E HN 0.397 nan 8.360 nan 0.000 0.459 467 Y N 0.960 121.337 120.300 0.129 0.000 2.165 467 Y HA -0.217 4.333 4.550 -0.000 0.000 0.286 467 Y C 2.455 178.438 175.900 0.138 0.000 1.155 467 Y CA 0.738 58.816 58.100 -0.037 0.000 1.164 467 Y CB -1.177 36.988 38.460 -0.492 0.000 0.978 467 Y HN 0.038 nan 8.280 nan 0.000 0.513 468 A N -0.457 122.666 122.820 0.504 0.000 1.883 468 A HA -0.288 4.032 4.320 -0.000 0.000 0.217 468 A C 2.191 179.935 177.584 0.267 0.000 1.186 468 A CA 1.897 54.241 52.037 0.511 0.000 0.624 468 A CB -1.521 17.859 19.000 0.632 0.000 0.822 468 A HN 0.542 nan 8.150 nan 0.000 0.444 469 Y N 1.319 121.678 120.300 0.099 0.000 2.224 469 Y HA -0.187 4.363 4.550 -0.000 0.000 0.289 469 Y C 1.776 177.607 175.900 -0.116 0.000 1.146 469 Y CA 1.710 59.670 58.100 -0.233 0.000 1.182 469 Y CB -0.319 38.189 38.460 0.080 0.000 0.983 469 Y HN 0.359 nan 8.280 nan 0.000 0.524 470 D N 0.409 120.663 120.400 -0.243 0.000 2.104 470 D HA -0.201 4.439 4.640 -0.000 0.000 0.194 470 D C 1.701 177.842 176.300 -0.264 0.000 0.994 470 D CA 1.754 55.537 54.000 -0.362 0.000 0.830 470 D CB -0.404 40.312 40.800 -0.140 0.000 0.959 470 D HN 0.465 nan 8.370 nan 0.000 0.452 471 D N -0.348 120.031 120.400 -0.035 0.000 2.178 471 D HA -0.144 4.496 4.640 -0.000 0.000 0.201 471 D C 1.888 178.204 176.300 0.027 0.000 0.980 471 D CA 0.407 54.465 54.000 0.097 0.000 0.842 471 D CB -0.346 40.675 40.800 0.369 0.000 0.948 471 D HN 0.358 nan 8.370 nan 0.000 0.472 472 W N 1.400 122.538 121.300 -0.271 0.000 2.358 472 W HA -0.257 4.403 4.660 -0.000 0.000 0.303 472 W C 2.276 178.639 176.519 -0.260 0.000 1.208 472 W CA 1.146 58.291 57.345 -0.333 0.000 1.274 472 W CB -0.423 28.703 29.460 -0.557 0.000 1.138 472 W HN -0.043 nan 8.180 nan 0.000 0.515 473 C N 0.286 119.418 119.300 -0.280 0.000 2.429 473 C HA -0.202 4.258 4.460 -0.000 0.000 0.277 473 C C 2.693 177.368 174.990 -0.525 0.000 1.262 473 C CA 1.229 59.962 59.018 -0.475 0.000 1.733 473 C CB -1.514 25.934 27.740 -0.486 0.000 2.010 473 C HN 0.364 nan 8.230 nan 0.000 0.483 474 I N -0.045 120.226 120.570 -0.499 0.000 2.179 474 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 474 I C 2.541 178.350 176.117 -0.513 0.000 1.088 474 I CA 1.939 62.867 61.300 -0.621 0.000 1.357 474 I CB -0.692 36.714 38.000 -0.991 0.000 1.051 474 I HN 0.410 nan 8.210 nan 0.000 0.409 475 Y N 2.259 122.276 120.300 -0.472 0.000 2.114 475 Y HA -0.313 4.237 4.550 -0.000 0.000 0.282 475 Y C 2.706 178.374 175.900 -0.388 0.000 1.165 475 Y CA 1.595 59.530 58.100 -0.276 0.000 1.148 475 Y CB -0.260 38.078 38.460 -0.204 0.000 0.972 475 Y HN -0.020 nan 8.280 nan 0.000 0.504 476 R N 0.146 120.182 120.500 -0.773 0.000 2.083 476 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 476 R C 2.274 178.206 176.300 -0.614 0.000 1.137 476 R CA 1.647 57.224 56.100 -0.872 0.000 0.951 476 R CB -1.276 28.427 30.300 -0.994 0.000 0.851 476 R HN 0.470 nan 8.270 nan 0.000 0.434 477 L N 0.835 121.755 121.223 -0.504 0.000 2.027 477 L HA -0.001 4.338 4.340 -0.000 0.000 0.206 477 L C 2.339 178.995 176.870 -0.356 0.000 1.074 477 L CA 1.911 56.507 54.840 -0.407 0.000 0.745 477 L CB -0.725 41.105 42.059 -0.381 0.000 0.898 477 L HN 0.145 nan 8.230 nan 0.000 0.433 478 A N -0.467 122.184 122.820 -0.281 0.000 1.917 478 A HA -0.314 4.006 4.320 -0.000 0.000 0.219 478 A C 2.440 179.848 177.584 -0.295 0.000 1.182 478 A CA 2.238 54.145 52.037 -0.217 0.000 0.633 478 A CB -0.669 18.307 19.000 -0.040 0.000 0.819 478 A HN 0.500 nan 8.150 nan 0.000 0.448 479 K N -0.587 119.579 120.400 -0.390 0.000 2.026 479 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 479 K C 2.080 178.524 176.600 -0.260 0.000 1.048 479 K CA 1.697 57.774 56.287 -0.350 0.000 0.929 479 K CB -0.136 32.048 32.500 -0.527 0.000 0.713 479 K HN 0.482 nan 8.250 nan 0.000 0.439 480 E N 0.288 120.322 120.200 -0.277 0.000 2.118 480 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 480 E C 1.292 177.783 176.600 -0.181 0.000 0.992 480 E CA 1.226 57.510 56.400 -0.193 0.000 0.804 480 E CB -0.062 29.532 29.700 -0.177 0.000 0.741 480 E HN 0.166 nan 8.360 nan 0.000 0.458 481 L N 0.974 122.041 121.223 -0.260 0.000 2.610 481 L HA 0.141 4.481 4.340 -0.000 0.000 0.232 481 L C 0.375 177.113 176.870 -0.220 0.000 1.149 481 L CA 0.926 55.604 54.840 -0.270 0.000 0.872 481 L CB -0.768 41.032 42.059 -0.430 0.000 0.992 481 L HN 0.142 nan 8.230 nan 0.000 0.447 482 K N -0.170 120.118 120.400 -0.186 0.000 3.096 482 K HA -0.199 4.121 4.320 -0.000 0.000 0.266 482 K C 0.116 176.627 176.600 -0.148 0.000 1.043 482 K CA 0.228 56.432 56.287 -0.138 0.000 0.758 482 K CB -1.036 31.402 32.500 -0.102 0.000 1.260 482 K HN 0.241 nan 8.250 nan 0.000 0.481 483 R N -0.059 120.327 120.500 -0.190 0.000 2.822 483 R HA 0.175 4.515 4.340 -0.000 0.000 0.277 483 R C -2.139 174.113 176.300 -0.079 0.000 1.102 483 R CA -1.655 54.342 56.100 -0.172 0.000 1.207 483 R CB -0.477 29.693 30.300 -0.217 0.000 1.139 483 R HN -0.033 nan 8.270 nan 0.000 0.557 484 P HA 0.022 nan 4.420 nan 0.000 0.266 484 P C 0.557 177.866 177.300 0.016 0.000 1.195 484 P CA 0.493 63.587 63.100 -0.010 0.000 0.768 484 P CB 0.380 32.081 31.700 0.002 0.000 0.838 485 K N 4.262 124.672 120.400 0.017 0.000 2.113 485 K HA -0.255 4.065 4.320 -0.000 0.000 0.208 485 K C 1.891 178.522 176.600 0.052 0.000 1.047 485 K CA 2.441 58.750 56.287 0.037 0.000 0.928 485 K CB -1.386 31.131 32.500 0.028 0.000 0.716 485 K HN 0.635 nan 8.250 nan 0.000 0.446 486 K N 0.209 120.631 120.400 0.036 0.000 2.057 486 K HA -0.199 4.120 4.320 -0.000 0.000 0.207 486 K C 2.210 178.835 176.600 0.042 0.000 1.049 486 K CA 1.752 58.057 56.287 0.029 0.000 0.931 486 K CB -0.121 32.387 32.500 0.013 0.000 0.714 486 K HN 0.612 nan 8.250 nan 0.000 0.440 487 E N 0.525 120.769 120.200 0.073 0.000 2.017 487 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 487 E C 2.095 178.833 176.600 0.229 0.000 0.997 487 E CA 1.718 58.204 56.400 0.144 0.000 0.804 487 E CB -0.137 29.681 29.700 0.197 0.000 0.757 487 E HN 0.367 nan 8.360 nan 0.000 0.448 488 I N 0.828 121.517 120.570 0.198 0.000 2.194 488 I HA -0.301 3.869 4.170 -0.000 0.000 0.246 488 I C 2.418 178.729 176.117 0.323 0.000 1.093 488 I CA 1.014 62.463 61.300 0.249 0.000 1.355 488 I CB -0.248 37.830 38.000 0.129 0.000 1.046 488 I HN 0.005 nan 8.210 nan 0.000 0.413 489 S N 0.748 116.566 115.700 0.196 0.000 2.402 489 S HA -0.136 4.334 4.470 -0.000 0.000 0.229 489 S C 1.894 176.554 174.600 0.100 0.000 1.021 489 S CA 1.028 59.321 58.200 0.155 0.000 0.974 489 S CB -0.388 62.863 63.200 0.085 0.000 0.800 489 S HN 0.326 nan 8.310 nan 0.000 0.484 490 L N 0.779 122.014 121.223 0.021 0.000 2.056 490 L HA 0.055 4.395 4.340 -0.000 0.000 0.207 490 L C 1.704 178.451 176.870 -0.206 0.000 1.078 490 L CA 1.800 56.543 54.840 -0.162 0.000 0.749 490 L CB -0.656 41.193 42.059 -0.350 0.000 0.901 490 L HN 0.186 nan 8.230 nan 0.000 0.433 491 F N -0.418 119.605 119.950 0.122 0.000 2.293 491 F HA 0.086 4.613 4.527 -0.000 0.000 0.297 491 F C 2.486 178.357 175.800 0.119 0.000 1.089 491 F CA 0.858 58.932 58.000 0.124 0.000 1.377 491 F CB -1.183 37.888 39.000 0.118 0.000 1.051 491 F HN 0.148 nan 8.300 nan 0.000 0.511 492 A N 0.135 123.135 122.820 0.300 0.000 1.940 492 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 492 A C 2.322 180.044 177.584 0.231 0.000 1.176 492 A CA 1.937 54.050 52.037 0.127 0.000 0.631 492 A CB -0.717 18.387 19.000 0.173 0.000 0.814 492 A HN 0.337 nan 8.150 nan 0.000 0.446 493 K N -0.491 119.995 120.400 0.144 0.000 2.025 493 K HA -0.122 4.197 4.320 -0.000 0.000 0.207 493 K C 2.248 178.910 176.600 0.103 0.000 1.049 493 K CA 1.361 57.701 56.287 0.090 0.000 0.933 493 K CB -0.188 32.321 32.500 0.015 0.000 0.714 493 K HN 0.431 nan 8.250 nan 0.000 0.438 494 R N -0.069 120.493 120.500 0.103 0.000 2.148 494 R HA -0.026 4.314 4.340 -0.000 0.000 0.227 494 R C 2.234 178.695 176.300 0.268 0.000 1.103 494 R CA 0.898 57.078 56.100 0.133 0.000 0.983 494 R CB -0.215 30.180 30.300 0.158 0.000 0.874 494 R HN 0.234 nan 8.270 nan 0.000 0.451 495 A N 0.653 123.658 122.820 0.308 0.000 2.076 495 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 495 A C 1.835 179.758 177.584 0.565 0.000 1.160 495 A CA 1.130 53.415 52.037 0.414 0.000 0.653 495 A CB -0.175 18.985 19.000 0.266 0.000 0.801 495 A HN 0.124 nan 8.150 nan 0.000 0.455 496 M N 0.192 119.995 119.600 0.338 0.000 2.595 496 M HA 0.034 4.514 4.480 -0.000 0.000 0.248 496 M C 0.974 177.173 176.300 -0.168 0.000 1.119 496 M CA 0.306 55.647 55.300 0.069 0.000 1.079 496 M CB -1.163 31.447 32.600 0.017 0.000 1.472 496 M HN 0.391 nan 8.290 nan 0.000 0.501 497 N N 0.661 119.404 118.700 0.073 0.000 2.364 497 N HA -0.189 4.551 4.740 -0.000 0.000 0.183 497 N C 1.573 177.150 175.510 0.113 0.000 1.022 497 N CA 1.134 54.227 53.050 0.070 0.000 0.883 497 N CB -0.421 38.150 38.487 0.141 0.000 0.965 497 N HN 0.632 nan 8.380 nan 0.000 0.438 498 Y N 0.946 121.406 120.300 0.266 0.000 2.365 498 Y HA -0.076 4.474 4.550 -0.000 0.000 0.287 498 Y C 1.804 177.812 175.900 0.179 0.000 1.162 498 Y CA 0.965 59.206 58.100 0.235 0.000 1.260 498 Y CB -0.499 38.102 38.460 0.235 0.000 0.976 498 Y HN -0.108 nan 8.280 nan 0.000 0.548 499 K N 0.624 120.786 120.400 -0.397 0.000 2.211 499 K HA -0.101 4.219 4.320 -0.000 0.000 0.203 499 K C 1.264 177.877 176.600 0.022 0.000 1.050 499 K CA 1.080 57.253 56.287 -0.190 0.000 0.945 499 K CB -0.244 32.046 32.500 -0.351 0.000 0.732 499 K HN 0.462 nan 8.250 nan 0.000 0.451 500 N N 0.853 119.561 118.700 0.013 0.000 2.520 500 N HA -0.082 4.658 4.740 -0.000 0.000 0.185 500 N C 1.173 176.656 175.510 -0.045 0.000 1.068 500 N CA 0.870 53.911 53.050 -0.015 0.000 0.911 500 N CB 0.200 38.711 38.487 0.040 0.000 0.961 500 N HN 0.233 nan 8.380 nan 0.000 0.446 501 L N -0.650 120.647 121.223 0.123 0.000 2.906 501 L HA 0.280 4.619 4.340 -0.000 0.000 0.255 501 L C -0.003 177.008 176.870 0.235 0.000 1.166 501 L CA -0.342 54.612 54.840 0.190 0.000 0.977 501 L CB 0.172 42.302 42.059 0.118 0.000 1.313 501 L HN -0.046 nan 8.230 nan 0.000 0.549 502 F N 1.777 121.791 119.950 0.106 0.000 2.427 502 F HA 0.217 4.744 4.527 -0.000 0.000 0.352 502 F C 0.365 176.058 175.800 -0.179 0.000 1.100 502 F CA -0.591 57.383 58.000 -0.043 0.000 1.191 502 F CB 0.715 39.719 39.000 0.007 0.000 1.128 502 F HN -0.088 nan 8.300 nan 0.000 0.533 503 D N 6.038 125.865 120.400 -0.956 0.000 2.329 503 D HA 0.181 4.821 4.640 -0.000 0.000 0.232 503 D C 0.523 176.472 176.300 -0.586 0.000 1.088 503 D CA -0.412 53.032 54.000 -0.928 0.000 0.835 503 D CB 1.237 41.275 40.800 -1.270 0.000 1.078 503 D HN 0.440 nan 8.370 nan 0.000 0.495 504 K N 2.877 123.240 120.400 -0.061 0.000 2.057 504 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 504 K C 1.318 177.907 176.600 -0.019 0.000 1.049 504 K CA 1.026 57.405 56.287 0.153 0.000 0.931 504 K CB 0.084 32.673 32.500 0.148 0.000 0.714 504 K HN 0.445 nan 8.250 nan 0.000 0.440 505 E N 0.787 120.921 120.200 -0.110 0.000 2.051 505 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 505 E C 1.970 178.493 176.600 -0.128 0.000 0.991 505 E CA 1.902 58.244 56.400 -0.096 0.000 0.799 505 E CB -0.103 29.540 29.700 -0.096 0.000 0.748 505 E HN 0.320 nan 8.360 nan 0.000 0.449 506 S N -0.367 115.191 115.700 -0.236 0.000 2.446 506 S HA 0.017 4.486 4.470 -0.000 0.000 0.225 506 S C 0.743 175.141 174.600 -0.336 0.000 1.016 506 S CA 0.608 58.668 58.200 -0.233 0.000 0.943 506 S CB -0.023 63.063 63.200 -0.190 0.000 0.786 506 S HN 0.221 nan 8.310 nan 0.000 0.508 507 K N 0.276 120.399 120.400 -0.461 0.000 3.281 507 K HA -0.110 4.210 4.320 -0.000 0.000 0.295 507 K C -0.916 175.189 176.600 -0.825 0.000 1.233 507 K CA 0.578 56.567 56.287 -0.496 0.000 0.866 507 K CB -1.875 30.534 32.500 -0.153 0.000 1.265 507 K HN 0.453 nan 8.250 nan 0.000 0.482 508 L N 0.360 120.998 121.223 -0.974 0.000 2.333 508 L HA 0.507 4.847 4.340 -0.000 0.000 0.263 508 L C 0.425 176.821 176.870 -0.790 0.000 1.014 508 L CA -1.413 52.922 54.840 -0.841 0.000 0.820 508 L CB 1.384 43.049 42.059 -0.657 0.000 1.352 508 L HN -0.112 nan 8.230 nan 0.000 0.421 509 M N 2.089 121.397 119.600 -0.486 0.000 2.248 509 M HA 0.271 4.750 4.480 -0.000 0.000 0.337 509 M C -0.210 176.012 176.300 -0.130 0.000 1.121 509 M CA 0.653 55.827 55.300 -0.210 0.000 1.155 509 M CB 0.274 32.906 32.600 0.053 0.000 1.514 509 M HN 0.542 nan 8.290 nan 0.000 0.452 510 R N 0.365 120.744 120.500 -0.203 0.000 2.604 510 R HA 0.528 4.868 4.340 -0.000 0.000 0.270 510 R C -0.439 175.757 176.300 -0.174 0.000 1.052 510 R CA -0.504 55.388 56.100 -0.347 0.000 0.902 510 R CB 1.359 30.975 30.300 -1.141 0.000 1.233 510 R HN 0.879 nan 8.270 nan 0.000 0.455 511 G N 2.763 111.440 108.800 -0.205 0.000 2.353 511 G HA2 0.137 4.097 3.960 -0.000 0.000 0.239 511 G HA3 0.137 4.097 3.960 -0.000 0.000 0.239 511 G C -0.702 174.126 174.900 -0.120 0.000 1.295 511 G CA -0.189 44.819 45.100 -0.153 0.000 0.884 511 G HN 0.550 nan 8.290 nan 0.000 0.537 512 R N 1.890 122.347 120.500 -0.071 0.000 2.561 512 R HA 0.202 4.542 4.340 -0.000 0.000 0.297 512 R C -0.249 176.051 176.300 -0.001 0.000 0.969 512 R CA -0.864 55.099 56.100 -0.228 0.000 0.879 512 R CB 0.975 30.819 30.300 -0.759 0.000 1.178 512 R HN 0.604 nan 8.270 nan 0.000 0.445 513 N N 1.808 120.498 118.700 -0.017 0.000 2.399 513 N HA -0.064 4.676 4.740 -0.000 0.000 0.250 513 N C 0.609 176.210 175.510 0.153 0.000 1.272 513 N CA -0.040 53.062 53.050 0.086 0.000 0.928 513 N CB 0.937 39.447 38.487 0.038 0.000 1.158 513 N HN 0.713 nan 8.380 nan 0.000 0.463 514 E N 0.415 120.668 120.200 0.089 0.000 2.153 514 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 514 E C 0.437 177.080 176.600 0.072 0.000 0.988 514 E CA 1.222 57.657 56.400 0.059 0.000 0.811 514 E CB 0.049 29.757 29.700 0.013 0.000 0.746 514 E HN 0.580 nan 8.360 nan 0.000 0.466 515 D N -1.210 119.218 120.400 0.047 0.000 2.371 515 D HA -0.034 4.606 4.640 -0.000 0.000 0.221 515 D C 1.322 177.629 176.300 0.012 0.000 0.986 515 D CA 1.079 55.093 54.000 0.023 0.000 0.899 515 D CB 0.118 40.922 40.800 0.007 0.000 0.902 515 D HN 0.350 nan 8.370 nan 0.000 0.530 516 G N -0.516 108.302 108.800 0.029 0.000 2.213 516 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.226 516 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.226 516 G C 0.418 175.177 174.900 -0.235 0.000 0.992 516 G CA 0.254 45.320 45.100 -0.055 0.000 0.632 516 G HN 0.692 nan 8.290 nan 0.000 0.511 517 T N 0.434 114.888 114.554 -0.167 0.000 2.884 517 T HA 0.616 4.966 4.350 -0.000 0.000 0.298 517 T C 0.378 174.931 174.700 -0.245 0.000 0.998 517 T CA -0.550 61.441 62.100 -0.180 0.000 1.124 517 T CB 1.568 70.391 68.868 -0.075 0.000 0.931 517 T HN 0.202 nan 8.240 nan 0.000 0.531 518 F N 1.954 121.792 119.950 -0.187 0.000 2.539 518 F HA 0.174 4.701 4.527 -0.000 0.000 0.340 518 F C 1.261 176.902 175.800 -0.265 0.000 1.185 518 F CA -0.325 57.509 58.000 -0.277 0.000 1.333 518 F CB 0.540 39.341 39.000 -0.331 0.000 1.152 518 F HN 0.588 nan 8.300 nan 0.000 0.602 519 Q N 1.941 121.663 119.800 -0.130 0.000 2.340 519 Q HA 0.280 4.620 4.340 -0.000 0.000 0.249 519 Q C -1.024 174.871 176.000 -0.174 0.000 0.957 519 Q CA 0.040 55.678 55.803 -0.275 0.000 0.882 519 Q CB 1.270 29.530 28.738 -0.796 0.000 1.235 519 Q HN 0.723 nan 8.270 nan 0.000 0.439 520 S N 2.607 118.248 115.700 -0.098 0.000 2.709 520 S HA 0.610 5.079 4.470 -0.000 0.000 0.302 520 S C -2.493 172.111 174.600 0.006 0.000 1.127 520 S CA -0.981 57.207 58.200 -0.020 0.000 0.905 520 S CB 1.198 64.397 63.200 -0.002 0.000 1.151 520 S HN 0.818 nan 8.310 nan 0.000 0.510 521 P HA -0.118 nan 4.420 nan 0.000 0.269 521 P C -1.244 176.116 177.300 0.101 0.000 1.153 521 P CA 0.266 63.399 63.100 0.055 0.000 0.754 521 P CB -0.009 31.717 31.700 0.044 0.000 0.758 522 F N 2.524 122.427 119.950 -0.078 0.000 2.388 522 F HA 0.351 4.878 4.527 -0.000 0.000 0.358 522 F C -0.368 175.400 175.800 -0.053 0.000 1.122 522 F CA -1.120 56.820 58.000 -0.100 0.000 1.056 522 F CB 0.951 39.862 39.000 -0.149 0.000 1.155 522 F HN 0.171 nan 8.300 nan 0.000 0.461 523 S N 8.811 124.297 115.700 -0.358 0.000 2.532 523 S HA 0.280 4.750 4.470 -0.000 0.000 0.318 523 S C -2.007 172.232 174.600 -0.602 0.000 1.083 523 S CA -0.994 56.965 58.200 -0.402 0.000 1.131 523 S CB 1.266 64.404 63.200 -0.103 0.000 0.973 523 S HN 0.477 nan 8.310 nan 0.000 0.468 524 P HA 0.019 nan 4.420 nan 0.000 0.222 524 P C 0.617 177.811 177.300 -0.177 0.000 1.147 524 P CA 0.766 63.469 63.100 -0.661 0.000 0.790 524 P CB 0.115 31.517 31.700 -0.496 0.000 0.780 525 L N -1.554 119.639 121.223 -0.050 0.000 2.628 525 L HA 0.144 4.484 4.340 -0.000 0.000 0.229 525 L C 1.149 178.156 176.870 0.228 0.000 1.137 525 L CA -0.185 54.719 54.840 0.107 0.000 0.909 525 L CB -0.279 41.849 42.059 0.115 0.000 1.137 525 L HN -0.081 nan 8.230 nan 0.000 0.470 526 K N 0.354 120.846 120.400 0.154 0.000 2.249 526 K HA 0.092 4.411 4.320 -0.000 0.000 0.280 526 K C -1.167 175.666 176.600 0.388 0.000 1.033 526 K CA -0.509 55.959 56.287 0.301 0.000 0.946 526 K CB 0.686 33.306 32.500 0.201 0.000 1.005 526 K HN -0.125 nan 8.250 nan 0.000 0.469 527 W N 2.844 124.298 121.300 0.256 0.000 2.449 527 W HA 0.441 5.101 4.660 -0.000 0.000 0.331 527 W C 0.743 177.446 176.519 0.307 0.000 1.119 527 W CA 0.860 58.402 57.345 0.329 0.000 1.240 527 W CB 1.132 30.836 29.460 0.407 0.000 1.251 527 W HN 1.001 nan 8.180 nan 0.000 0.576 528 G N 1.991 111.037 108.800 0.411 0.000 2.553 528 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.242 528 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.242 528 G C 0.380 174.978 174.900 -0.502 0.000 1.277 528 G CA 0.639 45.664 45.100 -0.124 0.000 0.910 528 G HN 0.708 nan 8.290 nan 0.000 0.576 529 D N -2.666 116.852 120.400 -1.471 0.000 4.566 529 D HA -0.218 4.421 4.640 -0.000 0.000 0.168 529 D C 2.132 178.158 176.300 -0.456 0.000 0.658 529 D CA 4.057 57.528 54.000 -0.882 0.000 1.285 529 D CB -1.598 39.010 40.800 -0.320 0.000 0.770 529 D HN 1.840 nan 8.370 nan 0.000 0.517 530 A N -0.302 122.360 122.820 -0.264 0.000 2.119 530 A HA 0.297 4.617 4.320 -0.000 0.000 0.217 530 A C 0.979 178.061 177.584 -0.837 0.000 1.153 530 A CA 1.198 52.943 52.037 -0.486 0.000 0.692 530 A CB -0.188 18.483 19.000 -0.548 0.000 0.799 530 A HN 0.241 nan 8.150 nan 0.000 0.458 531 F N -1.685 118.143 119.950 -0.202 0.000 2.679 531 F HA 0.512 5.039 4.527 -0.000 0.000 0.341 531 F C 0.439 176.147 175.800 -0.153 0.000 1.095 531 F CA -0.426 57.412 58.000 -0.270 0.000 1.004 531 F CB 1.417 40.318 39.000 -0.164 0.000 1.388 531 F HN -0.149 nan 8.300 nan 0.000 0.505 532 T N -1.966 112.701 114.554 0.188 0.000 2.791 532 T HA 0.435 4.785 4.350 -0.000 0.000 0.288 532 T C -0.642 174.286 174.700 0.381 0.000 0.999 532 T CA -0.564 61.673 62.100 0.228 0.000 0.952 532 T CB 0.803 69.730 68.868 0.099 0.000 0.938 532 T HN 0.693 nan 8.240 nan 0.000 0.444 533 E N 1.396 121.839 120.200 0.404 0.000 2.252 533 E HA -0.089 4.261 4.350 -0.000 0.000 0.218 533 E C 0.366 177.078 176.600 0.188 0.000 1.253 533 E CA 0.854 57.489 56.400 0.391 0.000 0.705 533 E CB -1.530 28.301 29.700 0.219 0.000 1.172 533 E HN 1.295 nan 8.360 nan 0.000 0.369 534 G N 0.149 108.931 108.800 -0.030 0.000 2.322 534 G HA2 0.414 4.374 3.960 -0.000 0.000 0.295 534 G HA3 0.414 4.374 3.960 -0.000 0.000 0.295 534 G C -1.454 173.139 174.900 -0.512 0.000 1.369 534 G CA -0.369 44.410 45.100 -0.536 0.000 0.821 534 G HN 0.180 nan 8.290 nan 0.000 0.536 535 N N -1.601 116.670 118.700 -0.715 0.000 2.890 535 N HA 0.596 5.336 4.740 -0.000 0.000 0.317 535 N C 1.184 176.105 175.510 -0.981 0.000 1.355 535 N CA 0.086 52.714 53.050 -0.704 0.000 0.803 535 N CB 1.186 39.335 38.487 -0.563 0.000 1.465 535 N HN 0.504 nan 8.380 nan 0.000 0.591 536 S N -1.126 113.982 115.700 -0.985 0.000 2.392 536 S HA -0.153 4.317 4.470 -0.000 0.000 0.232 536 S C 0.880 175.057 174.600 -0.705 0.000 1.041 536 S CA 1.367 59.005 58.200 -0.938 0.000 1.026 536 S CB -0.575 62.386 63.200 -0.398 0.000 0.845 536 S HN 0.572 nan 8.310 nan 0.000 0.465 537 W N 0.645 121.576 121.300 -0.615 0.000 2.465 537 W HA 0.004 4.664 4.660 -0.000 0.000 0.268 537 W C 2.135 178.462 176.519 -0.320 0.000 1.242 537 W CA 1.072 58.134 57.345 -0.472 0.000 1.248 537 W CB -0.203 28.987 29.460 -0.450 0.000 1.118 537 W HN 0.589 nan 8.180 nan 0.000 0.587 538 H N -4.019 114.987 119.070 -0.106 0.000 2.439 538 H HA 0.007 4.563 4.556 -0.000 0.000 0.299 538 H C 1.384 176.641 175.328 -0.118 0.000 1.033 538 H CA 1.084 57.074 56.048 -0.096 0.000 1.348 538 H CB -0.374 29.208 29.762 -0.300 0.000 1.449 538 H HN 0.034 nan 8.280 nan 0.000 0.544 539 Y N 0.929 121.115 120.300 -0.190 0.000 2.395 539 Y HA -0.127 4.423 4.550 -0.000 0.000 0.293 539 Y C 2.320 178.136 175.900 -0.140 0.000 1.123 539 Y CA 0.862 58.907 58.100 -0.091 0.000 1.227 539 Y CB 0.219 38.659 38.460 -0.033 0.000 1.012 539 Y HN 0.121 nan 8.280 nan 0.000 0.552 540 T N -0.832 113.537 114.554 -0.309 0.000 2.822 540 T HA -0.246 4.104 4.350 -0.000 0.000 0.270 540 T C 0.823 175.210 174.700 -0.523 0.000 1.064 540 T CA 1.664 63.457 62.100 -0.511 0.000 1.131 540 T CB -0.472 67.843 68.868 -0.921 0.000 0.858 540 T HN 0.500 nan 8.240 nan 0.000 0.483 541 W N 1.272 122.517 121.300 -0.093 0.000 3.256 541 W HA 0.269 4.929 4.660 -0.000 0.000 0.269 541 W C 1.026 177.459 176.519 -0.144 0.000 1.310 541 W CA -0.538 56.737 57.345 -0.117 0.000 1.673 541 W CB -0.230 29.106 29.460 -0.206 0.000 1.115 541 W HN -0.053 nan 8.180 nan 0.000 0.686 542 S N 1.317 116.985 115.700 -0.053 0.000 4.183 542 S HA 0.218 4.688 4.470 -0.000 0.000 0.195 542 S C 0.214 174.528 174.600 -0.477 0.000 1.421 542 S CA 0.035 57.980 58.200 -0.425 0.000 0.920 542 S CB -0.331 62.893 63.200 0.040 0.000 1.525 542 S HN -0.042 nan 8.310 nan 0.000 0.447 543 V N 2.762 122.304 119.914 -0.621 0.000 2.575 543 V HA 0.194 4.314 4.120 -0.000 0.000 0.281 543 V C 0.402 176.227 176.094 -0.448 0.000 1.087 543 V CA -0.461 61.550 62.300 -0.482 0.000 1.193 543 V CB -0.740 30.673 31.823 -0.684 0.000 1.426 543 V HN 0.636 nan 8.190 nan 0.000 0.623 544 F N 0.565 120.403 119.950 -0.186 0.000 2.154 544 F HA -0.222 4.304 4.527 -0.000 0.000 0.301 544 F C 2.564 178.237 175.800 -0.212 0.000 1.087 544 F CA 2.150 59.974 58.000 -0.293 0.000 1.274 544 F CB -0.564 38.070 39.000 -0.610 0.000 1.009 544 F HN 0.621 nan 8.300 nan 0.000 0.485 545 H N -2.039 116.924 119.070 -0.178 0.000 2.535 545 H HA 0.122 4.678 4.556 -0.000 0.000 0.273 545 H C -0.099 175.155 175.328 -0.123 0.000 0.983 545 H CA 1.048 56.825 56.048 -0.452 0.000 1.238 545 H CB -0.334 28.718 29.762 -1.184 0.000 1.412 545 H HN 0.217 nan 8.280 nan 0.000 0.562 546 D N 0.472 120.529 120.400 -0.572 0.000 2.849 546 D HA 0.231 4.871 4.640 -0.000 0.000 0.314 546 D C -2.040 174.038 176.300 -0.369 0.000 1.210 546 D CA -1.982 51.796 54.000 -0.370 0.000 0.756 546 D CB 0.997 41.619 40.800 -0.297 0.000 1.222 546 D HN -0.015 nan 8.370 nan 0.000 0.521 547 P HA -0.158 nan 4.420 nan 0.000 0.216 547 P C 1.393 178.524 177.300 -0.283 0.000 1.153 547 P CA 1.008 63.878 63.100 -0.384 0.000 0.848 547 P CB 0.440 31.691 31.700 -0.747 0.000 0.787 548 Q N 0.098 119.805 119.800 -0.154 0.000 2.124 548 Q HA -0.094 4.245 4.340 -0.000 0.000 0.202 548 Q C 2.157 178.077 176.000 -0.134 0.000 0.977 548 Q CA 2.254 57.974 55.803 -0.139 0.000 0.850 548 Q CB -1.560 27.133 28.738 -0.075 0.000 0.901 548 Q HN 0.161 nan 8.270 nan 0.000 0.429 549 G N 0.618 109.359 108.800 -0.099 0.000 2.440 549 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 549 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 549 G C 1.316 176.197 174.900 -0.031 0.000 1.154 549 G CA 0.995 46.093 45.100 -0.005 0.000 0.767 549 G HN 0.419 nan 8.290 nan 0.000 0.552 550 L N 0.757 121.907 121.223 -0.121 0.000 2.027 550 L HA 0.148 4.488 4.340 -0.000 0.000 0.206 550 L C 2.707 179.564 176.870 -0.021 0.000 1.074 550 L CA 1.176 55.977 54.840 -0.066 0.000 0.745 550 L CB -0.473 41.559 42.059 -0.044 0.000 0.898 550 L HN 0.259 nan 8.230 nan 0.000 0.433 551 I N -0.139 120.331 120.570 -0.167 0.000 2.151 551 I HA -0.356 3.814 4.170 -0.000 0.000 0.243 551 I C 2.065 178.149 176.117 -0.055 0.000 1.080 551 I CA 1.599 62.782 61.300 -0.196 0.000 1.339 551 I CB -0.588 37.157 38.000 -0.425 0.000 1.039 551 I HN 0.331 nan 8.210 nan 0.000 0.409 552 D N 0.876 121.219 120.400 -0.095 0.000 2.097 552 D HA -0.151 4.489 4.640 -0.000 0.000 0.195 552 D C 2.215 178.435 176.300 -0.134 0.000 0.989 552 D CA 1.357 55.305 54.000 -0.087 0.000 0.827 552 D CB -0.458 40.290 40.800 -0.088 0.000 0.966 552 D HN 0.278 nan 8.370 nan 0.000 0.456 553 L N -0.110 120.959 121.223 -0.257 0.000 2.187 553 L HA -0.097 4.243 4.340 -0.000 0.000 0.213 553 L C 2.454 179.100 176.870 -0.374 0.000 1.100 553 L CA 1.019 55.517 54.840 -0.571 0.000 0.765 553 L CB -0.501 40.742 42.059 -1.361 0.000 0.904 553 L HN -0.032 nan 8.230 nan 0.000 0.437 554 M N -0.498 119.058 119.600 -0.072 0.000 2.595 554 M HA 0.161 4.641 4.480 -0.000 0.000 0.248 554 M C 0.931 177.305 176.300 0.124 0.000 1.119 554 M CA 0.749 56.153 55.300 0.173 0.000 1.079 554 M CB 0.102 32.876 32.600 0.290 0.000 1.472 554 M HN 0.435 nan 8.290 nan 0.000 0.501 555 G N 1.311 110.144 108.800 0.055 0.000 2.467 555 G HA2 0.091 4.051 3.960 -0.000 0.000 0.242 555 G HA3 0.091 4.051 3.960 -0.000 0.000 0.242 555 G C 0.223 175.165 174.900 0.069 0.000 1.127 555 G CA -0.132 44.999 45.100 0.052 0.000 0.924 555 G HN 0.883 nan 8.290 nan 0.000 0.499 556 G N -0.328 108.506 108.800 0.057 0.000 2.730 556 G HA2 0.172 4.132 3.960 -0.000 0.000 0.686 556 G HA3 0.172 4.132 3.960 -0.000 0.000 0.686 556 G C 0.916 175.884 174.900 0.114 0.000 1.343 556 G CA 0.440 45.577 45.100 0.061 0.000 0.826 556 G HN 1.643 nan 8.290 nan 0.000 0.582 557 K N 0.272 120.728 120.400 0.093 0.000 2.057 557 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 557 K C 2.052 178.790 176.600 0.229 0.000 1.049 557 K CA 2.030 58.405 56.287 0.145 0.000 0.931 557 K CB -0.148 32.406 32.500 0.090 0.000 0.714 557 K HN 0.717 nan 8.250 nan 0.000 0.440 558 E N 1.559 121.862 120.200 0.171 0.000 2.049 558 E HA -0.233 4.117 4.350 -0.000 0.000 0.198 558 E C 2.145 178.860 176.600 0.191 0.000 1.007 558 E CA 1.975 58.477 56.400 0.171 0.000 0.809 558 E CB -0.226 29.552 29.700 0.130 0.000 0.749 558 E HN 0.387 nan 8.360 nan 0.000 0.450 559 M N -0.538 119.172 119.600 0.182 0.000 2.229 559 M HA -0.039 4.441 4.480 -0.000 0.000 0.264 559 M C 2.088 178.522 176.300 0.224 0.000 1.063 559 M CA 1.159 56.565 55.300 0.176 0.000 1.114 559 M CB -0.241 32.446 32.600 0.145 0.000 1.387 559 M HN 0.226 nan 8.290 nan 0.000 0.420 560 F N 0.636 120.659 119.950 0.123 0.000 2.075 560 F HA -0.182 4.345 4.527 -0.000 0.000 0.297 560 F C 2.062 177.962 175.800 0.167 0.000 1.113 560 F CA 1.474 59.565 58.000 0.152 0.000 1.218 560 F CB -0.226 38.848 39.000 0.124 0.000 0.984 560 F HN -0.232 nan 8.300 nan 0.000 0.472 561 V N -0.075 120.029 119.914 0.317 0.000 2.343 561 V HA -0.317 3.802 4.120 -0.000 0.000 0.247 561 V C 2.320 178.514 176.094 0.167 0.000 1.051 561 V CA 2.378 64.813 62.300 0.225 0.000 1.036 561 V CB -1.105 30.898 31.823 0.300 0.000 0.654 561 V HN 0.447 nan 8.190 nan 0.000 0.451 562 T N -0.355 114.299 114.554 0.168 0.000 2.699 562 T HA -0.304 4.046 4.350 -0.000 0.000 0.268 562 T C 1.867 176.657 174.700 0.150 0.000 1.036 562 T CA 2.277 64.469 62.100 0.153 0.000 1.147 562 T CB -0.317 68.635 68.868 0.140 0.000 0.862 562 T HN 0.308 nan 8.240 nan 0.000 0.446 563 M N 0.524 120.204 119.600 0.133 0.000 2.086 563 M HA 0.057 4.537 4.480 -0.000 0.000 0.261 563 M C 2.124 178.579 176.300 0.257 0.000 1.067 563 M CA 1.560 56.981 55.300 0.202 0.000 1.116 563 M CB -0.430 32.239 32.600 0.113 0.000 1.348 563 M HN 0.170 nan 8.290 nan 0.000 0.407 564 M N -0.450 119.159 119.600 0.016 0.000 2.080 564 M HA -0.246 4.234 4.480 -0.000 0.000 0.260 564 M C 1.630 177.943 176.300 0.021 0.000 1.068 564 M CA 1.743 56.908 55.300 -0.225 0.000 1.109 564 M CB -1.065 31.134 32.600 -0.668 0.000 1.342 564 M HN 0.209 nan 8.290 nan 0.000 0.405 565 D N 0.557 121.066 120.400 0.182 0.000 2.149 565 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 565 D C 2.011 178.422 176.300 0.185 0.000 0.990 565 D CA 1.856 56.031 54.000 0.292 0.000 0.839 565 D CB -0.235 40.719 40.800 0.257 0.000 0.948 565 D HN 0.413 nan 8.370 nan 0.000 0.460 566 S N -0.367 115.387 115.700 0.089 0.000 2.522 566 S HA -0.028 4.442 4.470 -0.000 0.000 0.227 566 S C 2.095 176.531 174.600 -0.274 0.000 0.986 566 S CA 0.138 58.312 58.200 -0.043 0.000 0.929 566 S CB -0.140 63.052 63.200 -0.014 0.000 0.769 566 S HN 0.039 nan 8.310 nan 0.000 0.529 567 V N 0.923 120.675 119.914 -0.270 0.000 2.343 567 V HA -0.104 4.015 4.120 -0.000 0.000 0.247 567 V C 2.031 177.786 176.094 -0.564 0.000 1.051 567 V CA 1.839 63.843 62.300 -0.495 0.000 1.036 567 V CB -0.910 30.600 31.823 -0.522 0.000 0.654 567 V HN 0.542 nan 8.190 nan 0.000 0.451 568 F N 0.284 120.052 119.950 -0.303 0.000 2.416 568 F HA 0.145 4.672 4.527 -0.000 0.000 0.296 568 F C 2.313 178.034 175.800 -0.131 0.000 1.099 568 F CA 0.954 58.759 58.000 -0.325 0.000 1.427 568 F CB -0.726 37.867 39.000 -0.679 0.000 1.079 568 F HN 0.077 nan 8.300 nan 0.000 0.536 569 A N 0.262 123.121 122.820 0.065 0.000 1.970 569 A HA 0.090 4.410 4.320 -0.000 0.000 0.216 569 A C 1.113 178.688 177.584 -0.016 0.000 1.170 569 A CA 0.804 52.878 52.037 0.062 0.000 0.645 569 A CB -1.031 18.009 19.000 0.067 0.000 0.816 569 A HN 0.095 nan 8.150 nan 0.000 0.447 570 V N -1.679 118.165 119.914 -0.116 0.000 2.732 570 V HA 0.447 4.567 4.120 -0.000 0.000 0.297 570 V C -2.485 173.554 176.094 -0.092 0.000 1.060 570 V CA -2.469 59.749 62.300 -0.137 0.000 1.038 570 V CB 0.668 32.327 31.823 -0.274 0.000 1.003 570 V HN 0.255 nan 8.190 nan 0.000 0.481 571 P HA 0.199 nan 4.420 nan 0.000 0.269 571 P C -2.579 174.714 177.300 -0.012 0.000 1.217 571 P CA -1.357 61.734 63.100 -0.015 0.000 0.783 571 P CB -0.310 31.387 31.700 -0.006 0.000 0.898 572 P HA 0.140 nan 4.420 nan 0.000 0.226 572 P C -0.011 177.401 177.300 0.187 0.000 1.783 572 P CA -0.179 62.979 63.100 0.096 0.000 0.980 572 P CB -0.346 31.414 31.700 0.100 0.000 1.967 573 I N 3.027 123.670 120.570 0.123 0.000 2.834 573 I HA 0.560 4.730 4.170 -0.000 0.000 0.305 573 I C -0.199 176.068 176.117 0.249 0.000 1.008 573 I CA -1.642 59.723 61.300 0.107 0.000 1.273 573 I CB -0.009 37.975 38.000 -0.027 0.000 1.432 573 I HN 0.135 nan 8.210 nan 0.000 0.557 574 F N 2.662 122.645 119.950 0.055 0.000 2.741 574 F HA 0.526 5.052 4.527 -0.000 0.000 0.311 574 F C -1.678 174.174 175.800 0.087 0.000 1.149 574 F CA -1.173 56.902 58.000 0.125 0.000 0.930 574 F CB 1.011 40.040 39.000 0.048 0.000 1.312 574 F HN 0.363 nan 8.300 nan 0.000 0.450 575 D N 1.407 122.016 120.400 0.348 0.000 2.505 575 D HA 0.227 4.867 4.640 -0.000 0.000 0.250 575 D C -0.642 175.893 176.300 0.392 0.000 1.164 575 D CA -0.375 53.760 54.000 0.225 0.000 0.870 575 D CB 1.325 42.227 40.800 0.170 0.000 1.160 575 D HN 0.701 nan 8.370 nan 0.000 0.549 576 D N 1.485 122.100 120.400 0.357 0.000 2.368 576 D HA -0.058 4.582 4.640 -0.000 0.000 0.218 576 D C 1.069 177.564 176.300 0.325 0.000 1.112 576 D CA -0.102 54.128 54.000 0.383 0.000 0.834 576 D CB -0.038 40.953 40.800 0.319 0.000 0.953 576 D HN 0.224 nan 8.370 nan 0.000 0.505 577 S N 0.058 115.904 115.700 0.243 0.000 2.407 577 S HA -0.314 4.156 4.470 -0.000 0.000 0.235 577 S C 1.854 176.552 174.600 0.162 0.000 1.036 577 S CA 0.820 59.123 58.200 0.171 0.000 1.013 577 S CB -1.115 62.168 63.200 0.138 0.000 0.820 577 S HN 0.460 nan 8.310 nan 0.000 0.476 578 Y N 1.181 121.512 120.300 0.051 0.000 2.421 578 Y HA -0.002 4.548 4.550 -0.000 0.000 0.292 578 Y C 1.383 177.138 175.900 -0.242 0.000 1.136 578 Y CA 0.805 58.830 58.100 -0.126 0.000 1.255 578 Y CB -0.145 38.183 38.460 -0.219 0.000 0.991 578 Y HN 0.265 nan 8.280 nan 0.000 0.552 579 Y N -1.492 118.846 120.300 0.063 0.000 2.462 579 Y HA 0.309 4.859 4.550 -0.000 0.000 0.253 579 Y C 2.129 178.019 175.900 -0.018 0.000 1.095 579 Y CA 0.298 58.384 58.100 -0.024 0.000 1.283 579 Y CB 0.354 38.846 38.460 0.054 0.000 1.138 579 Y HN 0.080 nan 8.280 nan 0.000 0.522 580 G N 0.516 109.405 108.800 0.149 0.000 2.328 580 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.256 580 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.256 580 G C 0.320 175.286 174.900 0.110 0.000 1.014 580 G CA 0.770 45.929 45.100 0.098 0.000 0.620 580 G HN 0.465 nan 8.290 nan 0.000 0.530 581 Q N -0.880 119.001 119.800 0.134 0.000 2.495 581 Q HA 0.675 5.015 4.340 -0.000 0.000 0.287 581 Q C -0.597 175.431 176.000 0.046 0.000 1.078 581 Q CA -0.886 54.974 55.803 0.096 0.000 0.793 581 Q CB 2.053 30.851 28.738 0.100 0.000 1.459 581 Q HN 0.380 nan 8.270 nan 0.000 0.422 582 V N 3.596 123.512 119.914 0.003 0.000 2.242 582 V HA 0.095 4.215 4.120 -0.000 0.000 0.242 582 V C 0.788 176.738 176.094 -0.239 0.000 1.240 582 V CA -0.191 62.020 62.300 -0.148 0.000 1.211 582 V CB -1.730 30.023 31.823 -0.117 0.000 1.338 582 V HN 0.644 nan 8.190 nan 0.000 0.499 583 I N 0.691 121.048 120.570 -0.355 0.000 3.094 583 I HA 0.057 4.227 4.170 -0.000 0.000 0.291 583 I C 1.867 177.729 176.117 -0.425 0.000 1.250 583 I CA 0.035 61.094 61.300 -0.401 0.000 1.401 583 I CB 0.128 37.752 38.000 -0.625 0.000 1.343 583 I HN 0.727 nan 8.210 nan 0.000 0.599 584 H N 2.380 121.234 119.070 -0.360 0.000 2.390 584 H HA -0.192 4.364 4.556 -0.000 0.000 0.298 584 H C 1.525 176.698 175.328 -0.257 0.000 1.106 584 H CA 1.735 57.625 56.048 -0.263 0.000 1.297 584 H CB -0.474 29.177 29.762 -0.184 0.000 1.375 584 H HN 0.755 nan 8.280 nan 0.000 0.509 585 E N 1.092 120.796 120.200 -0.827 0.000 2.204 585 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 585 E C 2.200 178.534 176.600 -0.444 0.000 0.989 585 E CA 1.159 57.259 56.400 -0.501 0.000 0.824 585 E CB -0.192 29.263 29.700 -0.408 0.000 0.756 585 E HN 0.643 nan 8.360 nan 0.000 0.477 586 I N 0.923 121.016 120.570 -0.796 0.000 2.277 586 I HA -0.179 3.990 4.170 -0.000 0.000 0.243 586 I C 2.806 178.517 176.117 -0.677 0.000 1.094 586 I CA 0.757 61.384 61.300 -1.122 0.000 1.393 586 I CB -0.180 36.874 38.000 -1.578 0.000 1.078 586 I HN 0.025 nan 8.210 nan 0.000 0.417 587 R N 1.729 121.928 120.500 -0.503 0.000 2.083 587 R HA -0.215 4.125 4.340 -0.000 0.000 0.237 587 R C 1.983 178.175 176.300 -0.181 0.000 1.137 587 R CA 1.844 57.768 56.100 -0.293 0.000 0.951 587 R CB -0.467 29.729 30.300 -0.175 0.000 0.851 587 R HN 0.354 nan 8.270 nan 0.000 0.434 588 E N -0.331 119.781 120.200 -0.146 0.000 2.171 588 E HA -0.254 4.096 4.350 -0.000 0.000 0.197 588 E C 1.948 178.505 176.600 -0.072 0.000 0.997 588 E CA 1.637 57.994 56.400 -0.072 0.000 0.810 588 E CB -0.249 29.429 29.700 -0.037 0.000 0.738 588 E HN 0.420 nan 8.360 nan 0.000 0.467 589 M N 0.828 120.368 119.600 -0.099 0.000 2.156 589 M HA -0.151 4.329 4.480 -0.000 0.000 0.264 589 M C 2.475 178.760 176.300 -0.025 0.000 1.067 589 M CA 1.971 57.246 55.300 -0.041 0.000 1.131 589 M CB -0.273 32.352 32.600 0.040 0.000 1.368 589 M HN 0.197 nan 8.290 nan 0.000 0.416 590 T N -1.097 113.416 114.554 -0.067 0.000 2.788 590 T HA -0.103 4.247 4.350 -0.000 0.000 0.268 590 T C 1.532 176.237 174.700 0.007 0.000 1.044 590 T CA 1.677 63.769 62.100 -0.014 0.000 1.139 590 T CB -1.434 67.420 68.868 -0.024 0.000 0.867 590 T HN 0.431 nan 8.240 nan 0.000 0.454 591 V N -1.531 118.378 119.914 -0.009 0.000 2.871 591 V HA 0.157 4.277 4.120 -0.000 0.000 0.256 591 V C 2.480 178.584 176.094 0.017 0.000 1.082 591 V CA 0.744 63.047 62.300 0.005 0.000 1.105 591 V CB -1.006 30.815 31.823 -0.003 0.000 0.713 591 V HN 0.232 nan 8.190 nan 0.000 0.473 592 M N 0.798 120.410 119.600 0.019 0.000 2.492 592 M HA 0.111 4.591 4.480 -0.000 0.000 0.262 592 M C 1.241 177.577 176.300 0.061 0.000 1.090 592 M CA 0.655 55.976 55.300 0.035 0.000 1.110 592 M CB -1.894 30.728 32.600 0.036 0.000 1.407 592 M HN 0.840 nan 8.290 nan 0.000 0.470 593 N N 0.803 119.541 118.700 0.062 0.000 2.738 593 N HA -0.184 4.556 4.740 -0.000 0.000 0.249 593 N C -0.714 174.868 175.510 0.120 0.000 1.047 593 N CA 0.113 53.211 53.050 0.079 0.000 0.707 593 N CB -0.482 38.047 38.487 0.070 0.000 0.937 593 N HN 0.350 nan 8.380 nan 0.000 0.545 594 M N 0.901 120.578 119.600 0.128 0.000 3.200 594 M HA 0.211 4.691 4.480 -0.000 0.000 0.335 594 M C 1.127 177.490 176.300 0.105 0.000 1.446 594 M CA 0.255 55.667 55.300 0.187 0.000 0.691 594 M CB 0.890 33.643 32.600 0.256 0.000 1.409 594 M HN 0.412 nan 8.290 nan 0.000 0.488 595 G N 1.891 110.727 108.800 0.060 0.000 2.634 595 G HA2 -0.322 3.637 3.960 -0.000 0.000 0.309 595 G HA3 -0.322 3.637 3.960 -0.000 0.000 0.309 595 G C 0.412 175.285 174.900 -0.046 0.000 1.265 595 G CA 0.394 45.476 45.100 -0.030 0.000 0.998 595 G HN 0.635 nan 8.290 nan 0.000 0.551 596 N N 0.086 118.702 118.700 -0.140 0.000 2.268 596 N HA 0.078 4.818 4.740 -0.000 0.000 0.204 596 N C -0.072 175.437 175.510 -0.002 0.000 1.124 596 N CA -0.025 53.007 53.050 -0.031 0.000 0.838 596 N CB 0.223 38.626 38.487 -0.141 0.000 0.994 596 N HN 0.430 nan 8.380 nan 0.000 0.489 597 Y N 2.085 122.211 120.300 -0.289 0.000 2.620 597 Y HA 0.220 4.770 4.550 -0.000 0.000 0.352 597 Y C 0.239 176.034 175.900 -0.175 0.000 1.140 597 Y CA -0.927 56.969 58.100 -0.339 0.000 1.529 597 Y CB -0.138 38.012 38.460 -0.517 0.000 1.321 597 Y HN -0.027 nan 8.280 nan 0.000 0.501 598 A N 5.927 128.389 122.820 -0.597 0.000 3.056 598 A HA 0.071 4.391 4.320 -0.000 0.000 0.274 598 A C 1.416 178.608 177.584 -0.652 0.000 1.661 598 A CA -0.266 51.460 52.037 -0.518 0.000 1.363 598 A CB -1.015 17.663 19.000 -0.536 0.000 1.139 598 A HN 0.995 nan 8.150 nan 0.000 0.598 599 H N 1.712 120.290 119.070 -0.821 0.000 2.518 599 H HA -0.139 4.417 4.556 -0.000 0.000 0.289 599 H C 1.893 176.959 175.328 -0.436 0.000 1.051 599 H CA 1.626 57.232 56.048 -0.738 0.000 1.280 599 H CB 0.211 29.671 29.762 -0.503 0.000 1.380 599 H HN 0.651 nan 8.280 nan 0.000 0.566 600 G N -0.016 108.619 108.800 -0.275 0.000 2.625 600 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.214 600 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.214 600 G C 0.450 175.240 174.900 -0.184 0.000 1.132 600 G CA 0.099 45.093 45.100 -0.177 0.000 0.782 600 G HN 0.275 nan 8.290 nan 0.000 0.538 601 N N -2.036 116.501 118.700 -0.272 0.000 2.321 601 N HA 0.366 5.106 4.740 -0.000 0.000 0.290 601 N C 0.800 176.165 175.510 -0.242 0.000 1.212 601 N CA -0.674 52.275 53.050 -0.169 0.000 0.767 601 N CB 1.707 40.146 38.487 -0.080 0.000 1.494 601 N HN -0.200 nan 8.380 nan 0.000 0.479 602 Q N 0.463 120.179 119.800 -0.139 0.000 2.079 602 Q HA 0.086 4.426 4.340 -0.000 0.000 0.200 602 Q C -1.158 174.660 176.000 -0.303 0.000 0.974 602 Q CA 1.814 57.443 55.803 -0.290 0.000 0.840 602 Q CB -0.855 27.585 28.738 -0.497 0.000 0.898 602 Q HN 0.590 nan 8.270 nan 0.000 0.430 603 P HA -0.152 nan 4.420 nan 0.000 0.216 603 P C 0.779 177.996 177.300 -0.139 0.000 1.150 603 P CA 1.156 64.074 63.100 -0.303 0.000 0.837 603 P CB 0.085 31.466 31.700 -0.532 0.000 0.786 604 I N -1.142 119.291 120.570 -0.228 0.000 3.883 604 I HA -0.004 4.166 4.170 -0.000 0.000 0.326 604 I C 1.642 177.654 176.117 -0.175 0.000 1.283 604 I CA 0.355 61.522 61.300 -0.222 0.000 1.161 604 I CB -0.117 37.667 38.000 -0.361 0.000 1.012 604 I HN -0.092 nan 8.210 nan 0.000 0.421 605 Q N -0.051 119.690 119.800 -0.098 0.000 2.364 605 Q HA -0.203 4.137 4.340 -0.000 0.000 0.207 605 Q C 1.652 177.852 176.000 0.334 0.000 0.970 605 Q CA 1.176 56.963 55.803 -0.028 0.000 0.888 605 Q CB -0.009 28.634 28.738 -0.159 0.000 0.951 605 Q HN 0.701 nan 8.270 nan 0.000 0.469 606 H N -1.279 117.926 119.070 0.225 0.000 2.592 606 H HA 0.129 4.685 4.556 -0.000 0.000 0.265 606 H C 1.774 177.260 175.328 0.263 0.000 0.955 606 H CA 0.080 56.290 56.048 0.270 0.000 1.175 606 H CB -0.266 29.734 29.762 0.397 0.000 1.433 606 H HN 0.177 nan 8.280 nan 0.000 0.537 607 M N 1.462 120.763 119.600 -0.498 0.000 2.073 607 M HA -0.168 4.311 4.480 -0.000 0.000 0.258 607 M C 1.920 178.053 176.300 -0.278 0.000 1.070 607 M CA 1.710 56.663 55.300 -0.580 0.000 1.103 607 M CB -0.297 31.898 32.600 -0.676 0.000 1.321 607 M HN 0.229 nan 8.290 nan 0.000 0.405 608 I N -0.421 120.102 120.570 -0.079 0.000 2.300 608 I HA -0.354 3.816 4.170 -0.000 0.000 0.252 608 I C 1.938 178.089 176.117 0.056 0.000 1.119 608 I CA 1.643 62.932 61.300 -0.017 0.000 1.384 608 I CB -0.691 37.294 38.000 -0.026 0.000 1.062 608 I HN 0.341 nan 8.210 nan 0.000 0.426 609 Y N -0.295 120.096 120.300 0.152 0.000 2.421 609 Y HA -0.186 4.364 4.550 -0.000 0.000 0.292 609 Y C 2.204 178.291 175.900 0.311 0.000 1.136 609 Y CA 0.436 58.684 58.100 0.247 0.000 1.255 609 Y CB -0.146 38.477 38.460 0.273 0.000 0.991 609 Y HN 0.091 nan 8.280 nan 0.000 0.552 610 L N -1.302 120.083 121.223 0.270 0.000 2.187 610 L HA -0.250 4.090 4.340 -0.000 0.000 0.213 610 L C 1.757 178.821 176.870 0.324 0.000 1.100 610 L CA 1.449 56.424 54.840 0.225 0.000 0.765 610 L CB -1.430 40.653 42.059 0.039 0.000 0.904 610 L HN 0.263 nan 8.230 nan 0.000 0.437 611 Y N 0.205 120.639 120.300 0.222 0.000 2.228 611 Y HA -0.296 4.253 4.550 -0.000 0.000 0.285 611 Y C 2.378 178.366 175.900 0.146 0.000 1.178 611 Y CA 1.521 59.710 58.100 0.148 0.000 1.202 611 Y CB -0.576 37.893 38.460 0.015 0.000 0.974 611 Y HN 0.281 nan 8.280 nan 0.000 0.527 612 D N -1.379 119.250 120.400 0.382 0.000 2.123 612 D HA -0.204 4.436 4.640 -0.000 0.000 0.196 612 D C 1.828 178.244 176.300 0.194 0.000 0.992 612 D CA 1.463 55.620 54.000 0.260 0.000 0.833 612 D CB -0.593 40.367 40.800 0.266 0.000 0.954 612 D HN 0.370 nan 8.370 nan 0.000 0.455 613 Y N 0.331 120.698 120.300 0.112 0.000 2.497 613 Y HA 0.079 4.629 4.550 -0.000 0.000 0.292 613 Y C 2.066 177.942 175.900 -0.041 0.000 1.137 613 Y CA 0.732 58.845 58.100 0.022 0.000 1.285 613 Y CB -0.190 38.243 38.460 -0.045 0.000 0.991 613 Y HN -0.061 nan 8.280 nan 0.000 0.556 614 A N -0.868 122.044 122.820 0.153 0.000 2.387 614 A HA 0.515 4.834 4.320 -0.000 0.000 0.234 614 A C 1.746 179.385 177.584 0.092 0.000 1.253 614 A CA 0.460 52.550 52.037 0.087 0.000 0.894 614 A CB -0.727 18.386 19.000 0.188 0.000 0.963 614 A HN 0.473 nan 8.150 nan 0.000 0.508 615 G N -0.596 108.251 108.800 0.077 0.000 2.160 615 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.244 615 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.244 615 G C -0.055 174.809 174.900 -0.061 0.000 1.022 615 G CA 0.372 45.511 45.100 0.066 0.000 0.741 615 G HN 0.581 nan 8.290 nan 0.000 0.508 616 Q N -0.770 118.867 119.800 -0.272 0.000 2.805 616 Q HA 0.186 4.526 4.340 -0.000 0.000 0.360 616 Q C -1.654 173.874 176.000 -0.788 0.000 0.832 616 Q CA -1.391 53.748 55.803 -1.108 0.000 1.020 616 Q CB 1.765 29.919 28.738 -0.973 0.000 1.444 616 Q HN 0.331 nan 8.270 nan 0.000 0.391 617 P HA -0.190 nan 4.420 nan 0.000 0.221 617 P C 0.790 178.132 177.300 0.070 0.000 1.145 617 P CA 1.128 64.244 63.100 0.026 0.000 0.795 617 P CB -0.106 31.705 31.700 0.186 0.000 0.775 618 W N 1.154 122.526 121.300 0.120 0.000 2.402 618 W HA 0.089 4.749 4.660 -0.000 0.000 0.286 618 W C 1.841 178.462 176.519 0.171 0.000 1.221 618 W CA 0.748 58.202 57.345 0.181 0.000 1.257 618 W CB -1.412 28.070 29.460 0.037 0.000 1.120 618 W HN -0.177 nan 8.180 nan 0.000 0.551 619 K N 0.743 120.844 120.400 -0.497 0.000 2.097 619 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 619 K C 2.474 178.855 176.600 -0.366 0.000 1.050 619 K CA 1.464 57.421 56.287 -0.550 0.000 0.938 619 K CB -0.463 31.319 32.500 -1.197 0.000 0.718 619 K HN 0.252 nan 8.250 nan 0.000 0.442 620 A N 1.499 124.189 122.820 -0.217 0.000 1.902 620 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 620 A C 2.048 179.631 177.584 -0.002 0.000 1.181 620 A CA 1.348 53.395 52.037 0.016 0.000 0.623 620 A CB -0.472 18.592 19.000 0.107 0.000 0.818 620 A HN 0.292 nan 8.150 nan 0.000 0.443 621 Q N -1.851 117.995 119.800 0.077 0.000 2.061 621 Q HA -0.237 4.102 4.340 -0.000 0.000 0.204 621 Q C 2.023 178.004 176.000 -0.031 0.000 0.984 621 Q CA 2.052 57.908 55.803 0.089 0.000 0.846 621 Q CB -0.460 28.429 28.738 0.252 0.000 0.902 621 Q HN 0.845 nan 8.270 nan 0.000 0.421 622 Y N -0.488 119.732 120.300 -0.132 0.000 2.114 622 Y HA -0.282 4.268 4.550 -0.000 0.000 0.284 622 Y C 1.590 177.117 175.900 -0.622 0.000 1.143 622 Y CA 1.724 59.572 58.100 -0.419 0.000 1.135 622 Y CB -0.354 37.878 38.460 -0.379 0.000 0.980 622 Y HN 0.135 nan 8.280 nan 0.000 0.499 623 W N -0.625 120.499 121.300 -0.293 0.000 2.409 623 W HA -0.142 4.518 4.660 -0.000 0.000 0.299 623 W C 2.140 178.422 176.519 -0.395 0.000 1.203 623 W CA 0.267 57.343 57.345 -0.448 0.000 1.298 623 W CB -0.624 28.538 29.460 -0.496 0.000 1.127 623 W HN 0.065 nan 8.180 nan 0.000 0.528 624 L N 0.745 121.924 121.223 -0.073 0.000 2.021 624 L HA -0.259 4.081 4.340 -0.000 0.000 0.215 624 L C 2.483 179.274 176.870 -0.132 0.000 1.074 624 L CA 1.905 56.706 54.840 -0.066 0.000 0.760 624 L CB -1.572 40.388 42.059 -0.164 0.000 0.889 624 L HN -0.012 nan 8.230 nan 0.000 0.433 625 R N -0.796 119.501 120.500 -0.338 0.000 2.092 625 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 625 R C 2.158 178.194 176.300 -0.440 0.000 1.119 625 R CA 1.086 56.927 56.100 -0.431 0.000 0.970 625 R CB -0.313 29.571 30.300 -0.694 0.000 0.864 625 R HN 0.370 nan 8.270 nan 0.000 0.440 626 Q N 0.034 119.497 119.800 -0.562 0.000 2.045 626 Q HA -0.143 4.197 4.340 -0.000 0.000 0.206 626 Q C 2.152 178.068 176.000 -0.140 0.000 0.991 626 Q CA 2.049 57.610 55.803 -0.404 0.000 0.851 626 Q CB -0.609 27.901 28.738 -0.380 0.000 0.911 626 Q HN 0.294 nan 8.270 nan 0.000 0.418 627 V N 1.057 120.942 119.914 -0.048 0.000 2.295 627 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 627 V C 2.420 178.605 176.094 0.152 0.000 1.049 627 V CA 1.804 64.114 62.300 0.016 0.000 1.024 627 V CB -0.550 31.251 31.823 -0.036 0.000 0.648 627 V HN 0.351 nan 8.190 nan 0.000 0.447 628 M N -0.477 119.232 119.600 0.181 0.000 2.213 628 M HA -0.175 4.305 4.480 -0.000 0.000 0.263 628 M C 1.799 178.234 176.300 0.226 0.000 1.062 628 M CA 1.637 57.098 55.300 0.269 0.000 1.105 628 M CB -0.465 32.135 32.600 0.001 0.000 1.385 628 M HN 0.331 nan 8.290 nan 0.000 0.417 629 D N -0.259 120.164 120.400 0.039 0.000 2.194 629 D HA -0.030 4.610 4.640 -0.000 0.000 0.204 629 D C 1.905 178.218 176.300 0.020 0.000 0.964 629 D CA 1.061 55.054 54.000 -0.011 0.000 0.846 629 D CB 0.081 40.807 40.800 -0.124 0.000 0.962 629 D HN 0.358 nan 8.370 nan 0.000 0.490 630 R N -0.825 119.690 120.500 0.025 0.000 2.287 630 R HA 0.268 4.608 4.340 -0.000 0.000 0.197 630 R C 1.490 177.791 176.300 0.002 0.000 0.900 630 R CA 0.064 56.167 56.100 0.005 0.000 1.052 630 R CB 0.429 30.722 30.300 -0.013 0.000 1.117 630 R HN 0.061 nan 8.270 nan 0.000 0.568 631 M N -0.131 119.473 119.600 0.007 0.000 2.428 631 M HA 0.212 4.692 4.480 -0.000 0.000 0.239 631 M C -0.619 175.476 176.300 -0.342 0.000 1.121 631 M CA 0.592 55.797 55.300 -0.159 0.000 1.019 631 M CB 0.263 32.696 32.600 -0.278 0.000 1.485 631 M HN -0.046 nan 8.290 nan 0.000 0.484 632 Y N 0.360 120.649 120.300 -0.019 0.000 2.386 632 Y HA 0.431 4.981 4.550 -0.000 0.000 0.334 632 Y C 0.326 176.137 175.900 -0.149 0.000 1.002 632 Y CA -1.044 56.981 58.100 -0.125 0.000 1.068 632 Y CB 1.676 40.027 38.460 -0.182 0.000 1.203 632 Y HN 0.025 nan 8.280 nan 0.000 0.443 633 T N -0.470 114.045 114.554 -0.064 0.000 2.896 633 T HA 0.421 4.771 4.350 -0.000 0.000 0.297 633 T C -2.686 171.944 174.700 -0.117 0.000 1.108 633 T CA -2.453 59.607 62.100 -0.068 0.000 1.004 633 T CB 2.617 71.451 68.868 -0.056 0.000 1.159 633 T HN 0.275 nan 8.240 nan 0.000 0.499 634 P HA 0.213 nan 4.420 nan 0.000 0.249 634 P C 0.871 178.134 177.300 -0.063 0.000 1.229 634 P CA 0.052 63.112 63.100 -0.067 0.000 0.788 634 P CB -0.233 31.465 31.700 -0.004 0.000 1.072 635 G N 1.542 110.292 108.800 -0.083 0.000 2.525 635 G HA2 0.244 4.204 3.960 -0.000 0.000 0.287 635 G HA3 0.244 4.204 3.960 -0.000 0.000 0.287 635 G C -1.708 173.108 174.900 -0.140 0.000 1.350 635 G CA -1.253 43.782 45.100 -0.109 0.000 1.039 635 G HN -0.122 nan 8.290 nan 0.000 0.513 636 P HA 0.014 nan 4.420 nan 0.000 0.222 636 P C 0.422 177.649 177.300 -0.121 0.000 1.147 636 P CA 1.111 64.041 63.100 -0.282 0.000 0.790 636 P CB 0.198 31.387 31.700 -0.851 0.000 0.780 637 D N -1.579 118.751 120.400 -0.117 0.000 2.895 637 D HA 0.135 4.774 4.640 -0.000 0.000 0.258 637 D C 1.472 177.755 176.300 -0.029 0.000 1.311 637 D CA -0.482 53.499 54.000 -0.032 0.000 0.843 637 D CB -0.895 39.884 40.800 -0.035 0.000 1.055 637 D HN 0.012 nan 8.370 nan 0.000 0.486 638 G N -0.361 108.405 108.800 -0.057 0.000 2.421 638 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.217 638 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.217 638 G C 0.260 175.018 174.900 -0.236 0.000 1.143 638 G CA 0.424 45.419 45.100 -0.175 0.000 0.784 638 G HN 0.266 nan 8.290 nan 0.000 0.541 639 Y N -1.123 119.165 120.300 -0.020 0.000 2.408 639 Y HA 0.348 4.898 4.550 -0.000 0.000 0.324 639 Y C 1.613 177.444 175.900 -0.114 0.000 1.302 639 Y CA -0.774 57.270 58.100 -0.092 0.000 1.384 639 Y CB 0.946 39.395 38.460 -0.019 0.000 1.367 639 Y HN 0.084 nan 8.280 nan 0.000 0.525 640 C N -1.683 117.623 119.300 0.009 0.000 3.000 640 C HA 0.847 5.307 4.460 -0.000 0.000 0.286 640 C C 0.548 175.547 174.990 0.017 0.000 1.343 640 C CA 0.034 59.039 59.018 -0.022 0.000 1.742 640 C CB -1.265 26.416 27.740 -0.099 0.000 2.200 640 C HN 0.952 nan 8.230 nan 0.000 0.621 641 G N -0.318 108.520 108.800 0.063 0.000 2.430 641 G HA2 0.417 4.377 3.960 -0.000 0.000 0.300 641 G HA3 0.417 4.377 3.960 -0.000 0.000 0.300 641 G C -2.207 172.743 174.900 0.083 0.000 1.330 641 G CA -0.543 44.605 45.100 0.080 0.000 0.813 641 G HN 0.053 nan 8.290 nan 0.000 0.487 642 D N 0.505 120.984 120.400 0.131 0.000 2.488 642 D HA 0.139 4.779 4.640 -0.000 0.000 0.238 642 D C 1.303 177.570 176.300 -0.054 0.000 1.138 642 D CA -0.137 53.919 54.000 0.094 0.000 0.873 642 D CB 1.712 42.647 40.800 0.224 0.000 1.183 642 D HN 0.445 nan 8.370 nan 0.000 0.458 643 E N 1.459 121.526 120.200 -0.221 0.000 2.150 643 E HA -0.183 4.166 4.350 -0.000 0.000 0.193 643 E C -0.436 176.090 176.600 -0.123 0.000 0.985 643 E CA 0.603 56.768 56.400 -0.392 0.000 0.814 643 E CB 0.118 29.422 29.700 -0.659 0.000 0.752 643 E HN 0.399 nan 8.360 nan 0.000 0.466 644 D N 0.481 120.861 120.400 -0.033 0.000 2.746 644 D HA -0.216 4.424 4.640 -0.000 0.000 0.241 644 D C -0.693 175.617 176.300 0.017 0.000 1.140 644 D CA 1.037 55.071 54.000 0.057 0.000 0.707 644 D CB -2.064 38.814 40.800 0.130 0.000 1.034 644 D HN 0.438 nan 8.370 nan 0.000 0.423 645 N N -1.073 117.580 118.700 -0.078 0.000 2.721 645 N HA -0.212 4.528 4.740 -0.000 0.000 0.249 645 N C 1.131 176.703 175.510 0.103 0.000 1.072 645 N CA 1.503 54.495 53.050 -0.098 0.000 0.710 645 N CB -1.032 37.309 38.487 -0.244 0.000 0.993 645 N HN 0.770 nan 8.380 nan 0.000 0.547 646 G N -1.382 107.474 108.800 0.092 0.000 2.259 646 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.217 646 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.217 646 G C 0.696 175.689 174.900 0.155 0.000 1.001 646 G CA 0.703 45.878 45.100 0.126 0.000 0.627 646 G HN 0.453 nan 8.290 nan 0.000 0.501 647 Q N 1.246 121.128 119.800 0.136 0.000 1.993 647 Q HA -0.001 4.338 4.340 -0.000 0.000 0.202 647 Q C 2.467 178.624 176.000 0.263 0.000 0.984 647 Q CA 3.191 59.096 55.803 0.170 0.000 0.837 647 Q CB -1.011 27.782 28.738 0.091 0.000 0.902 647 Q HN 0.494 nan 8.270 nan 0.000 0.423 648 T N 0.017 114.691 114.554 0.201 0.000 2.915 648 T HA -0.031 4.319 4.350 -0.000 0.000 0.269 648 T C 1.899 176.923 174.700 0.541 0.000 1.071 648 T CA 1.118 63.401 62.100 0.304 0.000 1.132 648 T CB -0.206 68.739 68.868 0.130 0.000 0.878 648 T HN 0.234 nan 8.240 nan 0.000 0.479 649 S N 1.544 117.483 115.700 0.398 0.000 2.357 649 S HA 0.085 4.555 4.470 -0.000 0.000 0.221 649 S C 2.618 177.445 174.600 0.378 0.000 1.031 649 S CA 0.788 59.250 58.200 0.437 0.000 0.982 649 S CB -0.502 62.871 63.200 0.288 0.000 0.853 649 S HN 0.574 nan 8.310 nan 0.000 0.458 650 A N 0.272 123.290 122.820 0.330 0.000 2.019 650 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 650 A C 1.761 179.641 177.584 0.493 0.000 1.164 650 A CA 1.195 53.419 52.037 0.311 0.000 0.644 650 A CB -0.974 18.202 19.000 0.294 0.000 0.805 650 A HN 0.736 nan 8.150 nan 0.000 0.449 651 W N -0.910 120.651 121.300 0.435 0.000 2.358 651 W HA -0.252 4.408 4.660 -0.000 0.000 0.303 651 W C 1.992 178.769 176.519 0.430 0.000 1.208 651 W CA 1.988 59.667 57.345 0.556 0.000 1.274 651 W CB -0.340 29.437 29.460 0.528 0.000 1.138 651 W HN 0.459 nan 8.180 nan 0.000 0.515 652 Y N 0.281 120.921 120.300 0.567 0.000 2.200 652 Y HA -0.240 4.310 4.550 -0.000 0.000 0.290 652 Y C 2.294 178.216 175.900 0.037 0.000 1.137 652 Y CA 2.579 60.770 58.100 0.152 0.000 1.163 652 Y CB -0.799 37.448 38.460 -0.355 0.000 0.988 652 Y HN -0.174 nan 8.280 nan 0.000 0.518 653 V N -0.270 119.728 119.914 0.139 0.000 2.255 653 V HA -0.331 3.789 4.120 -0.000 0.000 0.247 653 V C 2.128 178.185 176.094 -0.061 0.000 1.051 653 V CA 2.162 64.411 62.300 -0.085 0.000 1.018 653 V CB -1.032 30.633 31.823 -0.264 0.000 0.641 653 V HN 0.317 nan 8.190 nan 0.000 0.445 654 F N 1.063 120.965 119.950 -0.079 0.000 2.046 654 F HA -0.187 4.340 4.527 -0.000 0.000 0.297 654 F C 2.789 178.380 175.800 -0.348 0.000 1.123 654 F CA 2.067 59.935 58.000 -0.219 0.000 1.199 654 F CB -0.891 38.052 39.000 -0.095 0.000 0.972 654 F HN 0.025 nan 8.300 nan 0.000 0.474 655 S N -0.224 115.370 115.700 -0.175 0.000 2.383 655 S HA -0.214 4.256 4.470 -0.000 0.000 0.229 655 S C 2.258 176.685 174.600 -0.288 0.000 1.030 655 S CA 1.043 59.043 58.200 -0.334 0.000 1.002 655 S CB -0.752 61.939 63.200 -0.849 0.000 0.829 655 S HN 0.392 nan 8.310 nan 0.000 0.467 656 A N 1.076 123.706 122.820 -0.317 0.000 1.969 656 A HA 0.089 4.409 4.320 -0.000 0.000 0.218 656 A C 2.032 179.546 177.584 -0.117 0.000 1.169 656 A CA 0.861 52.747 52.037 -0.252 0.000 0.635 656 A CB -0.524 18.393 19.000 -0.138 0.000 0.810 656 A HN 0.463 nan 8.150 nan 0.000 0.445 657 L N -1.920 119.200 121.223 -0.171 0.000 2.156 657 L HA 0.073 4.413 4.340 -0.000 0.000 0.208 657 L C 1.885 178.591 176.870 -0.274 0.000 1.095 657 L CA 1.059 55.740 54.840 -0.265 0.000 0.770 657 L CB -0.221 41.532 42.059 -0.510 0.000 0.914 657 L HN 0.601 nan 8.230 nan 0.000 0.439 658 G N -0.725 107.890 108.800 -0.308 0.000 2.227 658 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.168 658 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.168 658 G C -0.052 174.962 174.900 0.189 0.000 1.006 658 G CA -0.138 44.954 45.100 -0.015 0.000 0.684 658 G HN 0.262 nan 8.290 nan 0.000 0.489 659 F N -1.802 118.263 119.950 0.192 0.000 2.711 659 F HA 0.858 5.385 4.527 -0.000 0.000 0.313 659 F C -1.045 174.814 175.800 0.099 0.000 1.141 659 F CA -2.486 55.623 58.000 0.182 0.000 0.941 659 F CB 1.212 40.315 39.000 0.172 0.000 1.349 659 F HN 0.175 nan 8.300 nan 0.000 0.464 660 Y N 1.274 121.491 120.300 -0.139 0.000 2.482 660 Y HA 0.548 5.098 4.550 -0.000 0.000 0.334 660 Y C -2.887 172.764 175.900 -0.415 0.000 1.091 660 Y CA -2.390 55.349 58.100 -0.602 0.000 1.027 660 Y CB 3.217 40.955 38.460 -1.204 0.000 1.306 660 Y HN 0.436 nan 8.280 nan 0.000 0.446 661 P HA 0.079 nan 4.420 nan 0.000 0.238 661 P C 0.527 177.565 177.300 -0.438 0.000 1.794 661 P CA 0.288 63.006 63.100 -0.637 0.000 1.088 661 P CB 0.673 31.959 31.700 -0.690 0.000 1.923 662 V N 1.290 121.177 119.914 -0.045 0.000 2.282 662 V HA -0.215 3.904 4.120 -0.000 0.000 0.249 662 V C 1.478 177.621 176.094 0.082 0.000 1.057 662 V CA 1.866 64.305 62.300 0.231 0.000 1.032 662 V CB -0.370 31.675 31.823 0.370 0.000 0.645 662 V HN 0.536 nan 8.190 nan 0.000 0.447 663 C N 2.186 121.485 119.300 -0.001 0.000 2.621 663 C HA 0.513 4.973 4.460 -0.000 0.000 0.272 663 C C -2.546 172.423 174.990 -0.035 0.000 1.119 663 C CA -2.352 56.641 59.018 -0.042 0.000 1.593 663 C CB -0.488 27.236 27.740 -0.027 0.000 1.749 663 C HN 0.304 nan 8.230 nan 0.000 0.420 664 P HA 0.316 nan 4.420 nan 0.000 0.266 664 P C 0.902 178.298 177.300 0.160 0.000 1.195 664 P CA 1.856 64.971 63.100 0.025 0.000 0.768 664 P CB 0.527 32.277 31.700 0.083 0.000 0.838 665 G N 0.781 109.625 108.800 0.072 0.000 2.259 665 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.217 665 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.217 665 G C 0.399 175.378 174.900 0.131 0.000 1.001 665 G CA 0.264 45.447 45.100 0.137 0.000 0.627 665 G HN 0.854 nan 8.290 nan 0.000 0.501 666 T N -0.872 113.734 114.554 0.086 0.000 2.884 666 T HA 0.530 4.880 4.350 -0.000 0.000 0.277 666 T C 0.704 175.319 174.700 -0.142 0.000 0.976 666 T CA 0.623 62.695 62.100 -0.047 0.000 0.956 666 T CB 1.731 70.525 68.868 -0.124 0.000 1.113 666 T HN 0.366 nan 8.240 nan 0.000 0.554 667 D N -0.841 119.483 120.400 -0.128 0.000 2.460 667 D HA 0.133 4.773 4.640 -0.000 0.000 0.229 667 D C -0.138 176.075 176.300 -0.145 0.000 1.170 667 D CA -0.342 53.580 54.000 -0.130 0.000 0.827 667 D CB -0.131 40.651 40.800 -0.031 0.000 0.973 667 D HN 0.704 nan 8.370 nan 0.000 0.496 668 E N 0.134 120.182 120.200 -0.253 0.000 2.183 668 E HA 0.323 4.672 4.350 -0.000 0.000 0.271 668 E C -1.095 175.271 176.600 -0.391 0.000 0.919 668 E CA -0.858 55.440 56.400 -0.169 0.000 0.781 668 E CB 1.527 31.162 29.700 -0.109 0.000 1.140 668 E HN 0.140 nan 8.360 nan 0.000 0.402 669 Y N 0.754 121.102 120.300 0.080 0.000 2.334 669 Y HA 0.238 4.787 4.550 -0.000 0.000 0.336 669 Y C 0.122 176.114 175.900 0.153 0.000 0.960 669 Y CA -0.952 57.185 58.100 0.062 0.000 1.164 669 Y CB 1.090 39.584 38.460 0.057 0.000 1.155 669 Y HN 0.220 nan 8.280 nan 0.000 0.478 670 V N 4.618 124.675 119.914 0.238 0.000 2.715 670 V HA 0.049 4.169 4.120 -0.000 0.000 0.299 670 V C 0.318 176.631 176.094 0.363 0.000 1.054 670 V CA -0.526 61.947 62.300 0.288 0.000 1.077 670 V CB 0.924 32.929 31.823 0.302 0.000 0.972 670 V HN 0.730 nan 8.190 nan 0.000 0.484 671 M N 4.002 123.845 119.600 0.404 0.000 2.185 671 M HA 0.545 5.024 4.480 -0.000 0.000 0.357 671 M C 0.514 177.113 176.300 0.499 0.000 1.260 671 M CA 0.589 56.141 55.300 0.419 0.000 1.124 671 M CB 0.836 33.623 32.600 0.311 0.000 1.600 671 M HN 0.788 nan 8.290 nan 0.000 0.467 672 G N 1.442 110.543 108.800 0.503 0.000 3.434 672 G HA2 0.502 4.462 3.960 -0.000 0.000 0.197 672 G HA3 0.502 4.462 3.960 -0.000 0.000 0.197 672 G C -0.970 174.045 174.900 0.192 0.000 1.559 672 G CA -0.153 45.160 45.100 0.355 0.000 0.852 672 G HN 0.615 nan 8.290 nan 0.000 0.682 673 T N 1.743 116.359 114.554 0.103 0.000 3.032 673 T HA 0.596 4.946 4.350 -0.000 0.000 0.312 673 T C -3.036 171.664 174.700 0.000 0.000 1.078 673 T CA -1.119 61.019 62.100 0.063 0.000 1.028 673 T CB 2.137 71.031 68.868 0.043 0.000 1.091 673 T HN 0.228 nan 8.240 nan 0.000 0.457 674 P HA 0.240 nan 4.420 nan 0.000 0.276 674 P C 0.451 177.690 177.300 -0.103 0.000 1.230 674 P CA -0.539 62.540 63.100 -0.035 0.000 0.776 674 P CB 1.168 32.876 31.700 0.013 0.000 0.888 675 L N 2.633 123.734 121.223 -0.203 0.000 2.375 675 L HA 0.286 4.625 4.340 -0.000 0.000 0.215 675 L C 0.270 176.831 176.870 -0.516 0.000 1.108 675 L CA 1.114 55.705 54.840 -0.414 0.000 0.830 675 L CB -0.369 41.300 42.059 -0.650 0.000 0.959 675 L HN 0.154 nan 8.230 nan 0.000 0.457 676 F N -0.850 119.024 119.950 -0.128 0.000 2.497 676 F HA 0.367 4.894 4.527 -0.000 0.000 0.331 676 F C 1.541 177.303 175.800 -0.063 0.000 1.060 676 F CA -0.692 57.247 58.000 -0.101 0.000 0.989 676 F CB 0.920 39.836 39.000 -0.140 0.000 1.245 676 F HN -0.356 nan 8.300 nan 0.000 0.486 677 K N 0.173 120.681 120.400 0.181 0.000 2.217 677 K HA -0.018 4.302 4.320 -0.000 0.000 0.202 677 K C 0.161 176.806 176.600 0.075 0.000 1.051 677 K CA 1.004 57.347 56.287 0.094 0.000 0.952 677 K CB 0.265 32.815 32.500 0.083 0.000 0.736 677 K HN 0.381 nan 8.250 nan 0.000 0.453 678 K N -0.011 120.439 120.400 0.083 0.000 2.550 678 K HA 0.418 4.738 4.320 -0.000 0.000 0.252 678 K C -2.115 174.458 176.600 -0.046 0.000 0.943 678 K CA -0.447 55.852 56.287 0.019 0.000 0.806 678 K CB 2.055 34.563 32.500 0.013 0.000 1.289 678 K HN -0.022 nan 8.250 nan 0.000 0.435 679 A N 2.220 124.996 122.820 -0.073 0.000 2.386 679 A HA 0.740 5.060 4.320 -0.000 0.000 0.311 679 A C -1.145 176.351 177.584 -0.148 0.000 1.068 679 A CA -0.597 51.346 52.037 -0.156 0.000 0.743 679 A CB 1.939 20.844 19.000 -0.158 0.000 1.258 679 A HN 0.555 nan 8.150 nan 0.000 0.429 680 T N 2.728 117.159 114.554 -0.206 0.000 2.841 680 T HA 0.559 4.909 4.350 -0.000 0.000 0.285 680 T C -0.610 173.810 174.700 -0.467 0.000 0.991 680 T CA -0.277 61.647 62.100 -0.293 0.000 0.966 680 T CB 0.750 69.458 68.868 -0.266 0.000 0.962 680 T HN 0.481 nan 8.240 nan 0.000 0.438 681 L N 3.780 124.669 121.223 -0.556 0.000 2.317 681 L HA 0.524 4.864 4.340 -0.000 0.000 0.281 681 L C -0.140 176.101 176.870 -1.048 0.000 1.024 681 L CA -1.021 53.370 54.840 -0.748 0.000 0.810 681 L CB 0.977 42.585 42.059 -0.752 0.000 1.240 681 L HN 0.589 nan 8.230 nan 0.000 0.427 682 H N 3.678 122.394 119.070 -0.590 0.000 2.638 682 H HA 0.358 4.914 4.556 -0.000 0.000 0.303 682 H C -0.625 174.413 175.328 -0.485 0.000 1.034 682 H CA -0.481 55.294 56.048 -0.456 0.000 1.225 682 H CB 0.876 30.500 29.762 -0.231 0.000 1.394 682 H HN 0.296 nan 8.280 nan 0.000 0.477 683 F N 0.693 120.602 119.950 -0.068 0.000 2.380 683 F HA 0.117 4.644 4.527 -0.000 0.000 0.325 683 F C 1.966 177.651 175.800 -0.191 0.000 1.136 683 F CA -0.586 57.292 58.000 -0.204 0.000 1.171 683 F CB 0.913 39.662 39.000 -0.418 0.000 1.230 683 F HN 0.450 nan 8.300 nan 0.000 0.554 684 E N 0.429 120.614 120.200 -0.025 0.000 2.265 684 E HA -0.226 4.123 4.350 -0.000 0.000 0.196 684 E C 1.372 177.932 176.600 -0.066 0.000 0.996 684 E CA 1.258 57.636 56.400 -0.037 0.000 0.832 684 E CB -0.397 29.292 29.700 -0.019 0.000 0.756 684 E HN 0.700 nan 8.360 nan 0.000 0.491 685 N N -0.527 118.083 118.700 -0.151 0.000 2.521 685 N HA -0.049 4.690 4.740 -0.000 0.000 0.188 685 N C 1.288 176.768 175.510 -0.049 0.000 1.146 685 N CA 0.515 53.484 53.050 -0.136 0.000 0.893 685 N CB 0.428 38.756 38.487 -0.266 0.000 0.975 685 N HN 0.144 nan 8.380 nan 0.000 0.451 686 G N 0.066 108.864 108.800 -0.005 0.000 2.232 686 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.226 686 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.226 686 G C -0.239 174.699 174.900 0.064 0.000 0.996 686 G CA -0.210 44.904 45.100 0.024 0.000 0.626 686 G HN 0.409 nan 8.290 nan 0.000 0.509 687 N N 0.736 119.497 118.700 0.101 0.000 2.463 687 N HA 0.676 5.416 4.740 -0.000 0.000 0.270 687 N C -0.158 175.476 175.510 0.207 0.000 1.205 687 N CA 0.349 53.495 53.050 0.160 0.000 0.974 687 N CB 1.339 39.930 38.487 0.174 0.000 1.197 687 N HN 0.267 nan 8.380 nan 0.000 0.504 688 S N 0.236 116.028 115.700 0.154 0.000 2.568 688 S HA 0.522 4.992 4.470 -0.000 0.000 0.293 688 S C -1.015 173.621 174.600 0.061 0.000 1.089 688 S CA -0.773 57.428 58.200 0.001 0.000 0.945 688 S CB 1.695 64.894 63.200 -0.002 0.000 1.077 688 S HN 0.351 nan 8.310 nan 0.000 0.485 689 L N 3.070 124.257 121.223 -0.060 0.000 2.376 689 L HA 0.644 4.984 4.340 -0.000 0.000 0.275 689 L C -1.535 175.290 176.870 -0.074 0.000 0.987 689 L CA -0.589 54.281 54.840 0.050 0.000 0.828 689 L CB 1.516 43.713 42.059 0.231 0.000 1.249 689 L HN 0.482 nan 8.230 nan 0.000 0.409 690 V N 6.421 126.314 119.914 -0.036 0.000 2.398 690 V HA 0.419 4.538 4.120 -0.000 0.000 0.286 690 V C 0.292 176.358 176.094 -0.047 0.000 1.026 690 V CA -0.384 61.883 62.300 -0.056 0.000 0.868 690 V CB 1.922 33.728 31.823 -0.028 0.000 0.982 690 V HN 0.548 nan 8.190 nan 0.000 0.443 691 I N 4.398 124.938 120.570 -0.049 0.000 2.337 691 I HA 0.316 4.486 4.170 -0.000 0.000 0.285 691 I C -0.221 175.885 176.117 -0.018 0.000 1.041 691 I CA -0.231 61.047 61.300 -0.038 0.000 1.199 691 I CB 0.848 38.844 38.000 -0.006 0.000 1.370 691 I HN 0.484 nan 8.210 nan 0.000 0.470 692 D N 6.487 126.878 120.400 -0.014 0.000 2.313 692 D HA 0.399 5.039 4.640 -0.000 0.000 0.239 692 D C -0.065 176.241 176.300 0.010 0.000 1.142 692 D CA 0.068 54.069 54.000 0.003 0.000 0.847 692 D CB 2.010 42.814 40.800 0.006 0.000 1.082 692 D HN 0.588 nan 8.370 nan 0.000 0.480 693 A N 5.042 127.874 122.820 0.019 0.000 3.297 693 A HA 0.314 4.634 4.320 -0.000 0.000 0.304 693 A C -1.589 176.008 177.584 0.023 0.000 0.963 693 A CA -0.889 51.160 52.037 0.021 0.000 0.935 693 A CB 0.753 19.767 19.000 0.023 0.000 1.093 693 A HN 0.273 nan 8.150 nan 0.000 0.480 694 P HA -0.205 nan 4.420 nan 0.000 0.218 694 P C 0.704 178.014 177.300 0.017 0.000 1.146 694 P CA 1.171 64.284 63.100 0.022 0.000 0.813 694 P CB 0.107 31.818 31.700 0.018 0.000 0.778 695 N N -0.878 117.828 118.700 0.011 0.000 2.268 695 N HA -0.005 4.735 4.740 -0.000 0.000 0.204 695 N C 0.328 175.836 175.510 -0.003 0.000 1.124 695 N CA -0.332 52.720 53.050 0.003 0.000 0.838 695 N CB -0.145 38.342 38.487 -0.001 0.000 0.994 695 N HN -0.041 nan 8.380 nan 0.000 0.489 696 N N 0.990 119.690 118.700 0.001 0.000 2.441 696 N HA -0.009 4.731 4.740 -0.000 0.000 0.251 696 N C -0.539 174.961 175.510 -0.016 0.000 1.242 696 N CA 0.532 53.576 53.050 -0.010 0.000 0.898 696 N CB 1.007 39.488 38.487 -0.010 0.000 1.100 696 N HN 0.289 nan 8.380 nan 0.000 0.443 697 S N -0.096 115.590 115.700 -0.023 0.000 2.661 697 S HA 0.291 4.761 4.470 -0.000 0.000 0.268 697 S C 0.724 175.315 174.600 -0.014 0.000 1.162 697 S CA -0.503 57.683 58.200 -0.022 0.000 0.817 697 S CB 0.481 63.672 63.200 -0.016 0.000 1.141 697 S HN 0.363 nan 8.310 nan 0.000 0.477 698 T N 1.226 115.771 114.554 -0.015 0.000 2.833 698 T HA 0.016 4.366 4.350 -0.000 0.000 0.269 698 T C 1.192 175.943 174.700 0.086 0.000 1.054 698 T CA 2.045 64.144 62.100 -0.001 0.000 1.135 698 T CB -0.421 68.435 68.868 -0.019 0.000 0.869 698 T HN 0.632 nan 8.240 nan 0.000 0.466 699 E N 1.360 121.594 120.200 0.055 0.000 2.140 699 E HA 0.112 4.461 4.350 -0.000 0.000 0.191 699 E C 0.645 177.193 176.600 -0.087 0.000 0.973 699 E CA 0.469 56.898 56.400 0.048 0.000 0.829 699 E CB -0.074 29.623 29.700 -0.005 0.000 0.781 699 E HN 0.512 nan 8.360 nan 0.000 0.466 700 N N 0.980 119.633 118.700 -0.078 0.000 3.034 700 N HA 0.102 4.842 4.740 -0.000 0.000 0.265 700 N C -0.566 174.860 175.510 -0.140 0.000 1.166 700 N CA -0.229 52.727 53.050 -0.156 0.000 1.081 700 N CB 0.105 38.550 38.487 -0.071 0.000 1.378 700 N HN 0.142 nan 8.380 nan 0.000 0.520 701 F N -1.753 118.092 119.950 -0.175 0.000 2.661 701 F HA 0.417 4.944 4.527 -0.000 0.000 0.306 701 F C -0.463 175.176 175.800 -0.269 0.000 1.094 701 F CA -0.944 56.904 58.000 -0.253 0.000 1.254 701 F CB -0.321 38.462 39.000 -0.361 0.000 1.040 701 F HN 0.014 nan 8.300 nan 0.000 0.562 702 Y N 1.944 122.091 120.300 -0.256 0.000 2.334 702 Y HA 0.512 5.061 4.550 -0.000 0.000 0.328 702 Y C 0.400 176.286 175.900 -0.024 0.000 1.130 702 Y CA -1.770 56.276 58.100 -0.091 0.000 1.163 702 Y CB 1.033 39.384 38.460 -0.181 0.000 1.207 702 Y HN -0.092 nan 8.280 nan 0.000 0.471 703 I N 3.307 124.014 120.570 0.228 0.000 2.312 703 I HA 0.031 4.201 4.170 -0.000 0.000 0.291 703 I C 0.907 177.097 176.117 0.121 0.000 1.031 703 I CA 0.107 61.495 61.300 0.148 0.000 1.293 703 I CB 0.927 39.020 38.000 0.155 0.000 1.403 703 I HN 0.785 nan 8.210 nan 0.000 0.484 704 D N 4.025 124.466 120.400 0.069 0.000 2.201 704 D HA -0.023 4.617 4.640 -0.000 0.000 0.209 704 D C 0.371 176.694 176.300 0.038 0.000 0.961 704 D CA 0.849 54.868 54.000 0.030 0.000 0.861 704 D CB 0.723 41.523 40.800 -0.000 0.000 0.997 704 D HN 0.595 nan 8.370 nan 0.000 0.486 705 S N -0.882 114.847 115.700 0.048 0.000 2.596 705 S HA 0.636 5.105 4.470 -0.000 0.000 0.270 705 S C -0.815 173.826 174.600 0.067 0.000 1.155 705 S CA -0.951 57.282 58.200 0.055 0.000 0.827 705 S CB 2.682 65.906 63.200 0.039 0.000 1.130 705 S HN 0.114 nan 8.310 nan 0.000 0.467 706 M N 2.255 121.907 119.600 0.086 0.000 2.371 706 M HA 0.550 5.030 4.480 -0.000 0.000 0.287 706 M C -1.573 174.798 176.300 0.119 0.000 1.149 706 M CA -0.204 55.151 55.300 0.090 0.000 0.929 706 M CB 2.318 34.990 32.600 0.119 0.000 1.683 706 M HN 1.115 nan 8.290 nan 0.000 0.470 707 S N 2.912 118.664 115.700 0.087 0.000 2.536 707 S HA 0.718 5.188 4.470 -0.000 0.000 0.287 707 S C -1.519 173.164 174.600 0.138 0.000 1.101 707 S CA -0.655 57.624 58.200 0.132 0.000 0.950 707 S CB 1.967 65.227 63.200 0.101 0.000 1.056 707 S HN 0.557 nan 8.310 nan 0.000 0.481 708 F N 2.887 122.845 119.950 0.014 0.000 2.382 708 F HA 0.474 5.001 4.527 -0.000 0.000 0.361 708 F C 0.298 176.098 175.800 0.000 0.000 1.109 708 F CA -1.343 56.635 58.000 -0.036 0.000 1.031 708 F CB -0.385 38.564 39.000 -0.085 0.000 1.234 708 F HN 0.974 nan 8.300 nan 0.000 0.445 709 N N 3.695 122.623 118.700 0.380 0.000 2.727 709 N HA -0.200 4.540 4.740 -0.000 0.000 0.249 709 N C 1.021 176.592 175.510 0.103 0.000 1.048 709 N CA 0.888 54.045 53.050 0.177 0.000 0.714 709 N CB -1.021 37.514 38.487 0.080 0.000 0.959 709 N HN 1.130 nan 8.380 nan 0.000 0.544 710 G N -1.825 107.040 108.800 0.108 0.000 2.299 710 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.237 710 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.237 710 G C 0.343 175.287 174.900 0.074 0.000 1.027 710 G CA 0.339 45.483 45.100 0.074 0.000 0.619 710 G HN 1.074 nan 8.290 nan 0.000 0.513 711 A N 0.459 123.330 122.820 0.085 0.000 2.425 711 A HA 0.532 4.852 4.320 -0.000 0.000 0.249 711 A C 0.233 177.892 177.584 0.126 0.000 1.084 711 A CA 0.765 52.852 52.037 0.084 0.000 0.781 711 A CB 0.347 19.386 19.000 0.065 0.000 1.019 711 A HN 0.587 nan 8.150 nan 0.000 0.490 712 D N 0.393 120.851 120.400 0.096 0.000 2.389 712 D HA 0.129 4.769 4.640 -0.000 0.000 0.247 712 D C -0.275 176.109 176.300 0.141 0.000 1.128 712 D CA 0.726 54.788 54.000 0.104 0.000 0.884 712 D CB 0.240 41.075 40.800 0.059 0.000 1.194 712 D HN 0.497 nan 8.370 nan 0.000 0.441 713 H N 2.809 121.911 119.070 0.054 0.000 2.866 713 H HA 0.181 4.737 4.556 -0.000 0.000 0.287 713 H C 0.291 175.633 175.328 0.025 0.000 1.106 713 H CA -0.119 55.957 56.048 0.047 0.000 1.396 713 H CB 0.862 30.674 29.762 0.083 0.000 1.469 713 H HN 0.498 nan 8.280 nan 0.000 0.500 714 T N 1.237 115.687 114.554 -0.174 0.000 3.060 714 T HA 0.157 4.507 4.350 -0.000 0.000 0.249 714 T C 0.706 175.326 174.700 -0.134 0.000 1.079 714 T CA -0.217 61.837 62.100 -0.078 0.000 1.013 714 T CB 0.288 69.132 68.868 -0.040 0.000 0.975 714 T HN 0.318 nan 8.240 nan 0.000 0.518 715 K N 1.491 121.636 120.400 -0.424 0.000 2.319 715 K HA 0.205 4.524 4.320 -0.000 0.000 0.265 715 K C 0.346 176.898 176.600 -0.080 0.000 1.000 715 K CA 0.074 56.145 56.287 -0.361 0.000 0.943 715 K CB 0.267 32.305 32.500 -0.771 0.000 0.950 715 K HN 0.246 nan 8.250 nan 0.000 0.485 716 N N 1.075 119.808 118.700 0.055 0.000 2.322 716 N HA 0.069 4.809 4.740 -0.000 0.000 0.216 716 N C -1.441 174.252 175.510 0.306 0.000 1.144 716 N CA -0.210 52.954 53.050 0.191 0.000 0.830 716 N CB 0.144 38.737 38.487 0.176 0.000 1.034 716 N HN 0.381 nan 8.380 nan 0.000 0.484 717 Y N -2.253 118.159 120.300 0.186 0.000 2.624 717 Y HA 0.550 5.100 4.550 -0.000 0.000 0.334 717 Y C -1.792 174.247 175.900 0.232 0.000 1.155 717 Y CA -1.472 56.735 58.100 0.178 0.000 1.046 717 Y CB 0.898 39.421 38.460 0.105 0.000 1.316 717 Y HN -0.321 nan 8.280 nan 0.000 0.457 718 L N 2.561 123.942 121.223 0.263 0.000 2.333 718 L HA 0.715 5.055 4.340 -0.000 0.000 0.269 718 L C -0.438 176.637 176.870 0.342 0.000 1.010 718 L CA -1.170 53.765 54.840 0.159 0.000 0.818 718 L CB 2.276 44.241 42.059 -0.157 0.000 1.306 718 L HN 0.697 nan 8.230 nan 0.000 0.430 719 R N -0.643 120.032 120.500 0.291 0.000 2.460 719 R HA 0.228 4.568 4.340 -0.000 0.000 0.303 719 R C 0.570 176.982 176.300 0.186 0.000 0.968 719 R CA -0.628 55.631 56.100 0.265 0.000 0.889 719 R CB 1.692 32.133 30.300 0.235 0.000 1.123 719 R HN 0.516 nan 8.270 nan 0.000 0.455 720 H N 1.844 120.970 119.070 0.093 0.000 2.289 720 H HA -0.220 4.336 4.556 -0.000 0.000 0.294 720 H C 0.962 176.106 175.328 -0.308 0.000 1.095 720 H CA 2.426 58.424 56.048 -0.083 0.000 1.256 720 H CB 0.517 30.182 29.762 -0.161 0.000 1.359 720 H HN 0.590 nan 8.280 nan 0.000 0.487 721 E N 0.242 120.412 120.200 -0.050 0.000 2.110 721 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 721 E C 1.961 178.533 176.600 -0.046 0.000 0.988 721 E CA 1.273 57.646 56.400 -0.045 0.000 0.804 721 E CB -0.210 29.506 29.700 0.027 0.000 0.745 721 E HN 0.595 nan 8.360 nan 0.000 0.458 722 D N 0.021 120.411 120.400 -0.017 0.000 2.097 722 D HA -0.092 4.548 4.640 -0.000 0.000 0.197 722 D C 2.058 178.404 176.300 0.076 0.000 0.984 722 D CA 0.695 54.692 54.000 -0.004 0.000 0.826 722 D CB -0.170 40.658 40.800 0.047 0.000 0.973 722 D HN 0.167 nan 8.370 nan 0.000 0.460 723 L N 0.010 121.245 121.223 0.020 0.000 2.017 723 L HA -0.175 4.164 4.340 -0.000 0.000 0.208 723 L C 2.472 179.242 176.870 -0.166 0.000 1.073 723 L CA 0.793 55.617 54.840 -0.026 0.000 0.745 723 L CB -0.429 41.485 42.059 -0.241 0.000 0.894 723 L HN -0.020 nan 8.230 nan 0.000 0.432 724 F N 0.890 120.460 119.950 -0.633 0.000 2.250 724 F HA -0.196 4.331 4.527 -0.000 0.000 0.301 724 F C 2.404 178.026 175.800 -0.298 0.000 1.077 724 F CA 1.075 58.621 58.000 -0.757 0.000 1.348 724 F CB -0.712 37.964 39.000 -0.540 0.000 1.040 724 F HN 0.063 nan 8.300 nan 0.000 0.509 725 K N -0.166 120.257 120.400 0.039 0.000 2.283 725 K HA 0.125 4.445 4.320 -0.000 0.000 0.202 725 K C 1.317 177.975 176.600 0.097 0.000 1.048 725 K CA 0.579 56.894 56.287 0.047 0.000 0.948 725 K CB -0.480 32.023 32.500 0.004 0.000 0.742 725 K HN 0.362 nan 8.250 nan 0.000 0.458 726 G N 0.076 108.982 108.800 0.176 0.000 2.698 726 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.233 726 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.233 726 G C 0.258 175.285 174.900 0.213 0.000 1.352 726 G CA -0.339 44.910 45.100 0.249 0.000 0.879 726 G HN 0.666 nan 8.290 nan 0.000 0.567 727 G N -3.010 105.893 108.800 0.172 0.000 2.384 727 G HA2 0.475 4.435 3.960 -0.000 0.000 0.200 727 G HA3 0.475 4.435 3.960 -0.000 0.000 0.200 727 G C -0.169 174.813 174.900 0.137 0.000 1.205 727 G CA 0.567 45.757 45.100 0.149 0.000 1.116 727 G HN 2.196 nan 8.290 nan 0.000 0.547 728 T N 0.569 115.212 114.554 0.149 0.000 2.861 728 T HA 0.677 5.027 4.350 -0.000 0.000 0.287 728 T C -0.179 174.559 174.700 0.063 0.000 1.003 728 T CA -0.230 61.920 62.100 0.083 0.000 0.977 728 T CB 1.435 70.340 68.868 0.062 0.000 0.996 728 T HN 0.597 nan 8.240 nan 0.000 0.448 729 I N 2.730 123.253 120.570 -0.077 0.000 2.406 729 I HA 0.427 4.596 4.170 -0.000 0.000 0.290 729 I C 0.042 176.108 176.117 -0.085 0.000 0.999 729 I CA -0.773 60.413 61.300 -0.190 0.000 1.124 729 I CB 1.739 39.481 38.000 -0.430 0.000 1.289 729 I HN 0.268 nan 8.210 nan 0.000 0.441 730 K N 5.192 125.567 120.400 -0.042 0.000 2.206 730 K HA 0.659 4.978 4.320 -0.000 0.000 0.264 730 K C -1.308 175.289 176.600 -0.005 0.000 0.967 730 K CA -0.581 55.700 56.287 -0.009 0.000 0.844 730 K CB 2.075 34.585 32.500 0.017 0.000 1.099 730 K HN 0.298 nan 8.250 nan 0.000 0.441 731 V N 2.867 122.783 119.914 0.004 0.000 2.409 731 V HA 0.102 4.222 4.120 -0.000 0.000 0.290 731 V C -0.771 175.337 176.094 0.025 0.000 1.017 731 V CA -0.967 61.345 62.300 0.020 0.000 0.841 731 V CB 1.449 33.286 31.823 0.024 0.000 1.003 731 V HN 0.697 nan 8.190 nan 0.000 0.426 732 D N 5.730 126.148 120.400 0.029 0.000 2.365 732 D HA 0.333 4.973 4.640 -0.000 0.000 0.237 732 D C 0.058 176.372 176.300 0.024 0.000 1.190 732 D CA -0.275 53.738 54.000 0.022 0.000 0.867 732 D CB 0.628 41.439 40.800 0.020 0.000 1.050 732 D HN 0.220 nan 8.370 nan 0.000 0.491 733 M N 1.818 121.427 119.600 0.015 0.000 2.250 733 M HA 0.290 4.770 4.480 -0.000 0.000 0.344 733 M C 0.404 176.699 176.300 -0.007 0.000 1.150 733 M CA -0.374 54.931 55.300 0.010 0.000 1.147 733 M CB 0.868 33.467 32.600 -0.002 0.000 1.498 733 M HN 0.329 nan 8.290 nan 0.000 0.461 734 S N 0.991 116.683 115.700 -0.013 0.000 2.618 734 S HA 0.520 4.989 4.470 -0.000 0.000 0.277 734 S C 0.214 174.772 174.600 -0.071 0.000 1.138 734 S CA -0.679 57.500 58.200 -0.034 0.000 0.844 734 S CB 1.164 64.346 63.200 -0.030 0.000 1.127 734 S HN 0.748 nan 8.310 nan 0.000 0.474 735 N N 1.333 119.982 118.700 -0.086 0.000 2.280 735 N HA 0.109 4.849 4.740 -0.000 0.000 0.192 735 N C 0.029 175.524 175.510 -0.026 0.000 1.109 735 N CA -0.278 52.693 53.050 -0.132 0.000 0.855 735 N CB -0.266 38.157 38.487 -0.107 0.000 0.974 735 N HN 0.708 nan 8.380 nan 0.000 0.482 736 R N -0.164 120.292 120.500 -0.075 0.000 2.670 736 R HA 0.613 4.953 4.340 -0.000 0.000 0.289 736 R C -3.008 172.925 176.300 -0.612 0.000 0.965 736 R CA -1.830 54.103 56.100 -0.278 0.000 0.899 736 R CB 1.411 31.580 30.300 -0.219 0.000 1.173 736 R HN -0.111 nan 8.270 nan 0.000 0.456 737 P HA -0.016 nan 4.420 nan 0.000 0.271 737 P C -1.034 175.877 177.300 -0.648 0.000 1.218 737 P CA -0.366 61.998 63.100 -1.228 0.000 0.780 737 P CB 0.636 31.576 31.700 -1.266 0.000 0.901 738 N N 2.782 121.223 118.700 -0.432 0.000 2.527 738 N HA 0.082 4.822 4.740 -0.000 0.000 0.236 738 N C 0.528 175.772 175.510 -0.443 0.000 0.999 738 N CA -0.361 52.492 53.050 -0.328 0.000 0.935 738 N CB -0.135 38.271 38.487 -0.135 0.000 1.132 738 N HN 0.060 nan 8.380 nan 0.000 0.511 739 L N 2.791 123.631 121.223 -0.638 0.000 2.633 739 L HA 0.104 4.444 4.340 -0.000 0.000 0.235 739 L C 1.355 178.019 176.870 -0.342 0.000 1.163 739 L CA 0.695 55.008 54.840 -0.879 0.000 0.859 739 L CB -0.690 40.943 42.059 -0.711 0.000 0.973 739 L HN 0.581 nan 8.230 nan 0.000 0.451 740 N N -1.012 117.593 118.700 -0.159 0.000 2.294 740 N HA 0.046 4.786 4.740 -0.000 0.000 0.186 740 N C 0.827 176.369 175.510 0.053 0.000 1.107 740 N CA -0.016 53.019 53.050 -0.026 0.000 0.884 740 N CB 0.820 39.281 38.487 -0.044 0.000 1.030 740 N HN 0.247 nan 8.380 nan 0.000 0.482 741 R N 0.647 121.190 120.500 0.073 0.000 2.390 741 R HA 0.293 4.633 4.340 -0.000 0.000 0.291 741 R C 0.567 176.974 176.300 0.178 0.000 1.070 741 R CA 0.681 56.845 56.100 0.107 0.000 1.014 741 R CB 0.305 30.663 30.300 0.098 0.000 1.007 741 R HN 0.203 nan 8.270 nan 0.000 0.466 742 G N 2.659 111.537 108.800 0.131 0.000 2.176 742 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.252 742 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.252 742 G C 0.525 175.516 174.900 0.151 0.000 1.024 742 G CA 0.773 45.953 45.100 0.133 0.000 0.755 742 G HN 0.766 nan 8.290 nan 0.000 0.507 743 T N -3.031 111.614 114.554 0.152 0.000 3.015 743 T HA 0.354 4.704 4.350 -0.000 0.000 0.250 743 T C 1.114 175.874 174.700 0.100 0.000 1.057 743 T CA 0.621 62.813 62.100 0.153 0.000 1.066 743 T CB 0.595 69.579 68.868 0.194 0.000 0.959 743 T HN 0.445 nan 8.240 nan 0.000 0.488 744 K N 1.931 122.377 120.400 0.077 0.000 2.414 744 K HA 0.079 4.399 4.320 -0.000 0.000 0.272 744 K C 1.438 178.068 176.600 0.051 0.000 0.993 744 K CA -0.197 56.123 56.287 0.054 0.000 0.964 744 K CB 0.596 33.119 32.500 0.038 0.000 0.925 744 K HN 0.037 nan 8.250 nan 0.000 0.487 745 E N 2.944 123.169 120.200 0.042 0.000 2.110 745 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 745 E C 1.131 177.756 176.600 0.042 0.000 0.988 745 E CA 1.500 57.922 56.400 0.036 0.000 0.804 745 E CB 0.230 29.946 29.700 0.026 0.000 0.745 745 E HN 0.705 nan 8.360 nan 0.000 0.458 746 E N 0.117 120.344 120.200 0.045 0.000 2.511 746 E HA -0.131 4.219 4.350 -0.000 0.000 0.196 746 E C 0.477 177.133 176.600 0.093 0.000 1.066 746 E CA 0.624 57.061 56.400 0.063 0.000 0.871 746 E CB -0.042 29.685 29.700 0.045 0.000 0.863 746 E HN 0.188 nan 8.360 nan 0.000 0.520 747 D N 0.595 121.039 120.400 0.074 0.000 2.347 747 D HA 0.029 4.669 4.640 -0.000 0.000 0.213 747 D C 0.646 177.047 176.300 0.168 0.000 0.985 747 D CA 0.312 54.361 54.000 0.082 0.000 0.879 747 D CB 0.097 40.925 40.800 0.048 0.000 0.919 747 D HN 0.189 nan 8.370 nan 0.000 0.526 748 M N 1.555 121.220 119.600 0.109 0.000 2.243 748 M HA 0.232 4.711 4.480 -0.000 0.000 0.341 748 M C -2.110 174.156 176.300 -0.057 0.000 1.130 748 M CA -2.105 53.194 55.300 -0.001 0.000 1.162 748 M CB -0.092 32.483 32.600 -0.041 0.000 1.497 748 M HN -0.258 nan 8.290 nan 0.000 0.456 749 P HA 0.112 nan 4.420 nan 0.000 0.275 749 P C -0.830 176.306 177.300 -0.273 0.000 1.266 749 P CA -0.468 62.312 63.100 -0.533 0.000 0.793 749 P CB 0.244 31.562 31.700 -0.636 0.000 1.074 750 Y N 0.463 120.601 120.300 -0.270 0.000 2.712 750 Y HA 0.147 4.697 4.550 -0.000 0.000 0.333 750 Y C -0.371 175.601 175.900 0.120 0.000 1.225 750 Y CA 1.168 59.246 58.100 -0.037 0.000 1.499 750 Y CB 0.096 38.566 38.460 0.016 0.000 1.288 750 Y HN 0.195 nan 8.280 nan 0.000 0.575 751 S N 7.271 122.670 115.700 -0.502 0.000 2.547 751 S HA 0.176 4.645 4.470 -0.000 0.000 0.281 751 S C 0.030 174.275 174.600 -0.592 0.000 1.118 751 S CA -0.831 57.173 58.200 -0.325 0.000 0.947 751 S CB 1.191 64.334 63.200 -0.096 0.000 1.053 751 S HN 0.766 nan 8.310 nan 0.000 0.482 752 F N 3.379 123.144 119.950 -0.308 0.000 2.126 752 F HA -0.152 4.375 4.527 -0.000 0.000 0.299 752 F C 2.266 178.046 175.800 -0.034 0.000 1.096 752 F CA 1.972 59.992 58.000 0.034 0.000 1.255 752 F CB -0.931 38.261 39.000 0.322 0.000 0.997 752 F HN 0.599 nan 8.300 nan 0.000 0.479 753 S N -0.392 115.253 115.700 -0.091 0.000 2.383 753 S HA -0.190 4.280 4.470 -0.000 0.000 0.229 753 S C 1.046 175.534 174.600 -0.186 0.000 1.030 753 S CA 1.038 59.127 58.200 -0.184 0.000 1.002 753 S CB -0.561 62.590 63.200 -0.080 0.000 0.829 753 S HN 0.301 nan 8.310 nan 0.000 0.467 754 K N 2.657 122.956 120.400 -0.169 0.000 2.127 754 K HA 0.167 4.487 4.320 -0.000 0.000 0.261 754 K C 0.172 176.700 176.600 -0.119 0.000 1.129 754 K CA 0.005 56.211 56.287 -0.135 0.000 0.993 754 K CB 0.061 32.488 32.500 -0.122 0.000 1.410 754 K HN 0.371 nan 8.250 nan 0.000 0.380 755 E N 0.000 120.143 120.200 -0.096 0.000 2.725 755 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 755 E CA 0.000 56.377 56.400 -0.038 0.000 0.976 755 E CB 0.000 29.713 29.700 0.022 0.000 0.812 755 E HN 0.000 nan 8.360 nan 0.000 0.440