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 2b43_1_D DATA FIRST_RESID 6 DATA SEQUENCE GTYCGAPILG PGSAPKLSTK TKFWRSSTTP LPPGTYEPAY LGGKDPRVKG DATA SEQUENCE GPSLQQVMRD QLKPFTEPRG KPPKPSVLEA AKKTIINVLE QTIDPPEKWS DATA SEQUENCE FTQACASLDK TTSSGHPHHM RKNDCWNGES FTGKLADQAS KANLMFEGGK DATA SEQUENCE NMTPVYTGAL KDELVKTDKI YGKIKKRLLW GSDLATMIRC ARAFGGLMDE DATA SEQUENCE LKAHCVTLPI RVGMNMNEDG PIIFERHSRY KYHYDADYSR WDSTQQRAVL DATA SEQUENCE AAALEIMVKF SSEPHLAQVV AEDLLSPSVV DVGDFKISIN EGLPSGVPCT DATA SEQUENCE SQWNSIAHWL LTLCALSEVT NLSPDIIQAN SLFSFYGDDE IVSTDIKLDP DATA SEQUENCE EKLTAKLKEY GLKPTRPDKT EGPLVISEDL NGLTFLRRTV TRDPAGWFGK DATA SEQUENCE LEQSSILRQM YWTRGPNHED PSETMIPHSQ RPIQLMSLLG EAALHGPAFY DATA SEQUENCE SKISKLVIAE LKEGGMDFYV PRQEPMFRWM RFSDLSTWEG DRNLAPSFVN DATA SEQUENCE E 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 6 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 6 G C 0.000 174.827 174.900 -0.122 0.000 0.946 6 G CA 0.000 45.041 45.100 -0.098 0.000 0.502 7 T N 0.404 114.902 114.554 -0.093 0.000 2.932 7 T HA 0.675 5.024 4.350 -0.000 0.000 0.289 7 T C -1.508 173.175 174.700 -0.028 0.000 1.039 7 T CA -0.523 61.538 62.100 -0.065 0.000 1.024 7 T CB 1.526 70.371 68.868 -0.039 0.000 1.090 7 T HN 0.386 nan 8.240 nan 0.000 0.496 8 Y N 3.279 123.492 120.300 -0.145 0.000 2.338 8 Y HA 0.352 4.902 4.550 -0.001 0.000 0.328 8 Y C 0.730 176.599 175.900 -0.053 0.000 0.965 8 Y CA -1.176 56.858 58.100 -0.110 0.000 1.208 8 Y CB 0.139 38.524 38.460 -0.125 0.000 1.132 8 Y HN 1.041 nan 8.280 nan 0.000 0.469 9 C N 4.102 123.192 119.300 -0.350 0.000 2.694 9 C HA 0.059 4.519 4.460 -0.000 0.000 0.207 9 C C 1.414 176.357 174.990 -0.079 0.000 1.404 9 C CA 0.706 59.586 59.018 -0.230 0.000 2.372 9 C CB -2.412 25.142 27.740 -0.309 0.000 1.522 9 C HN 1.930 nan 8.230 nan 0.000 0.367 10 G N 0.889 109.663 108.800 -0.043 0.000 2.659 10 G HA2 0.222 4.182 3.960 -0.000 0.000 0.212 10 G HA3 0.222 4.182 3.960 -0.000 0.000 0.212 10 G C 0.494 175.405 174.900 0.018 0.000 1.226 10 G CA 0.650 45.748 45.100 -0.003 0.000 0.739 10 G HN 2.583 nan 8.290 nan 0.000 0.528 11 A N 2.342 125.189 122.820 0.044 0.000 2.354 11 A HA 0.712 5.031 4.320 -0.000 0.000 0.269 11 A C -2.057 175.544 177.584 0.028 0.000 1.109 11 A CA -0.728 51.340 52.037 0.052 0.000 0.800 11 A CB 0.332 19.376 19.000 0.074 0.000 1.045 11 A HN 0.271 nan 8.150 nan 0.000 0.489 12 P HA 0.155 nan 4.420 nan 0.000 0.268 12 P C -0.601 176.673 177.300 -0.045 0.000 1.204 12 P CA 0.318 63.407 63.100 -0.019 0.000 0.768 12 P CB 0.306 32.001 31.700 -0.008 0.000 0.842 13 I N 3.612 124.120 120.570 -0.103 0.000 2.416 13 I HA 0.063 4.233 4.170 -0.000 0.000 0.288 13 I C 1.450 177.522 176.117 -0.075 0.000 1.051 13 I CA 0.074 61.277 61.300 -0.162 0.000 1.375 13 I CB 0.530 38.287 38.000 -0.405 0.000 1.407 13 I HN 0.318 nan 8.210 nan 0.000 0.516 14 L N 5.701 126.905 121.223 -0.031 0.000 2.515 14 L HA 0.437 4.777 4.340 -0.000 0.000 0.223 14 L C 0.959 177.843 176.870 0.024 0.000 1.079 14 L CA 0.096 54.933 54.840 -0.004 0.000 0.857 14 L CB 0.120 42.176 42.059 -0.006 0.000 1.050 14 L HN 0.860 nan 8.230 nan 0.000 0.476 15 G N -0.526 108.315 108.800 0.068 0.000 2.344 15 G HA2 0.135 4.094 3.960 -0.000 0.000 0.282 15 G HA3 0.135 4.094 3.960 -0.000 0.000 0.282 15 G C -3.120 171.882 174.900 0.170 0.000 1.281 15 G CA -0.659 44.505 45.100 0.106 0.000 0.877 15 G HN -0.311 nan 8.290 nan 0.000 0.494 16 P HA 0.458 nan 4.420 nan 0.000 0.278 16 P C 0.375 177.658 177.300 -0.030 0.000 1.238 16 P CA 0.263 63.356 63.100 -0.011 0.000 0.794 16 P CB 1.516 33.195 31.700 -0.036 0.000 0.955 17 G N 0.369 109.113 108.800 -0.093 0.000 2.502 17 G HA2 0.443 4.403 3.960 -0.000 0.000 0.305 17 G HA3 0.443 4.403 3.960 -0.000 0.000 0.305 17 G C 0.221 175.089 174.900 -0.053 0.000 1.190 17 G CA -0.591 44.466 45.100 -0.072 0.000 0.933 17 G HN 0.520 nan 8.290 nan 0.000 0.503 18 S N -1.411 114.282 115.700 -0.012 0.000 3.009 18 S HA 0.519 4.989 4.470 -0.000 0.000 0.254 18 S C 0.655 175.176 174.600 -0.132 0.000 1.004 18 S CA 0.273 58.463 58.200 -0.016 0.000 1.119 18 S CB 0.249 63.496 63.200 0.079 0.000 1.075 18 S HN 1.130 nan 8.310 nan 0.000 0.618 19 A N 3.016 125.735 122.820 -0.168 0.000 2.498 19 A HA 0.596 4.915 4.320 -0.000 0.000 0.239 19 A C -2.263 175.140 177.584 -0.301 0.000 1.068 19 A CA -0.824 51.018 52.037 -0.326 0.000 0.766 19 A CB -0.613 18.292 19.000 -0.159 0.000 1.003 19 A HN 0.327 nan 8.150 nan 0.000 0.497 20 P HA 0.188 nan 4.420 nan 0.000 0.270 20 P C -0.344 176.881 177.300 -0.125 0.000 1.223 20 P CA -0.261 62.724 63.100 -0.192 0.000 0.785 20 P CB 0.402 32.013 31.700 -0.148 0.000 0.923 21 K N 0.869 121.217 120.400 -0.088 0.000 2.380 21 K HA 0.103 4.423 4.320 -0.000 0.000 0.267 21 K C -0.066 176.503 176.600 -0.052 0.000 0.990 21 K CA -0.402 55.845 56.287 -0.067 0.000 0.946 21 K CB -0.088 32.379 32.500 -0.054 0.000 0.937 21 K HN 0.251 nan 8.250 nan 0.000 0.491 22 L N 2.091 123.288 121.223 -0.043 0.000 2.499 22 L HA -0.014 4.326 4.340 -0.000 0.000 0.273 22 L C 0.685 177.535 176.870 -0.034 0.000 1.195 22 L CA 0.701 55.522 54.840 -0.031 0.000 0.882 22 L CB 0.564 42.610 42.059 -0.022 0.000 1.133 22 L HN 0.617 nan 8.230 nan 0.000 0.483 23 S N 1.724 117.409 115.700 -0.026 0.000 2.558 23 S HA 0.084 4.554 4.470 -0.000 0.000 0.288 23 S C 0.995 175.562 174.600 -0.056 0.000 1.318 23 S CA 0.263 58.446 58.200 -0.028 0.000 1.056 23 S CB 0.267 63.461 63.200 -0.010 0.000 0.853 23 S HN 0.792 nan 8.310 nan 0.000 0.505 24 T N 1.476 115.990 114.554 -0.067 0.000 3.182 24 T HA 0.372 4.721 4.350 -0.000 0.000 0.277 24 T C -0.165 174.472 174.700 -0.105 0.000 1.013 24 T CA -0.595 61.440 62.100 -0.110 0.000 0.900 24 T CB 0.022 68.824 68.868 -0.110 0.000 1.098 24 T HN 0.443 nan 8.240 nan 0.000 0.543 25 K N 0.963 121.324 120.400 -0.064 0.000 2.281 25 K HA 0.704 5.023 4.320 -0.000 0.000 0.242 25 K C -0.778 175.813 176.600 -0.015 0.000 0.971 25 K CA -0.617 55.643 56.287 -0.044 0.000 0.834 25 K CB 1.928 34.431 32.500 0.004 0.000 1.181 25 K HN 0.094 nan 8.250 nan 0.000 0.435 26 T N -0.217 114.343 114.554 0.011 0.000 2.907 26 T HA 0.242 4.592 4.350 -0.000 0.000 0.292 26 T C 0.527 175.317 174.700 0.150 0.000 1.043 26 T CA -0.713 61.436 62.100 0.083 0.000 1.003 26 T CB 0.929 69.864 68.868 0.112 0.000 1.084 26 T HN 0.653 nan 8.240 nan 0.000 0.483 27 K N 2.352 122.776 120.400 0.040 0.000 2.393 27 K HA 0.132 4.452 4.320 -0.000 0.000 0.193 27 K C -0.452 176.188 176.600 0.067 0.000 1.026 27 K CA 0.023 56.319 56.287 0.014 0.000 1.064 27 K CB -0.008 32.392 32.500 -0.167 0.000 0.833 27 K HN 0.402 nan 8.250 nan 0.000 0.521 28 F N 1.635 121.759 119.950 0.291 0.000 2.438 28 F HA 0.263 4.790 4.527 -0.001 0.000 0.356 28 F C -0.113 176.013 175.800 0.544 0.000 1.099 28 F CA -0.553 57.680 58.000 0.389 0.000 1.185 28 F CB 0.328 39.423 39.000 0.159 0.000 1.115 28 F HN -0.031 nan 8.300 nan 0.000 0.526 29 W N 2.762 124.422 121.300 0.600 0.000 2.799 29 W HA 0.602 5.262 4.660 -0.001 0.000 0.349 29 W C -0.218 176.590 176.519 0.481 0.000 1.100 29 W CA -1.125 56.522 57.345 0.503 0.000 1.174 29 W CB 0.721 30.289 29.460 0.180 0.000 1.427 29 W HN 0.114 nan 8.180 nan 0.000 0.547 30 R N 0.781 121.565 120.500 0.473 0.000 2.594 30 R HA 0.130 4.469 4.340 -0.000 0.000 0.272 30 R C 1.050 177.445 176.300 0.158 0.000 1.074 30 R CA 0.229 56.374 56.100 0.075 0.000 1.105 30 R CB 0.784 31.030 30.300 -0.090 0.000 1.008 30 R HN 0.670 nan 8.270 nan 0.000 0.472 31 S N -1.063 114.672 115.700 0.058 0.000 2.535 31 S HA 0.062 4.531 4.470 -0.000 0.000 0.214 31 S C 0.624 175.232 174.600 0.013 0.000 0.980 31 S CA 0.088 58.319 58.200 0.052 0.000 0.907 31 S CB 0.111 63.323 63.200 0.020 0.000 0.790 31 S HN 0.667 nan 8.310 nan 0.000 0.510 32 S N 0.282 115.990 115.700 0.012 0.000 2.661 32 S HA 0.414 4.884 4.470 -0.000 0.000 0.268 32 S C 0.301 174.909 174.600 0.013 0.000 1.162 32 S CA -0.022 58.184 58.200 0.010 0.000 0.817 32 S CB 0.590 63.788 63.200 -0.004 0.000 1.141 32 S HN 0.330 nan 8.310 nan 0.000 0.477 33 T N -0.869 113.693 114.554 0.013 0.000 3.129 33 T HA 0.236 4.585 4.350 -0.000 0.000 0.251 33 T C 0.945 175.644 174.700 -0.001 0.000 1.117 33 T CA 0.637 62.742 62.100 0.009 0.000 1.034 33 T CB -1.245 67.632 68.868 0.015 0.000 0.968 33 T HN 1.121 nan 8.240 nan 0.000 0.526 34 T N 1.428 115.987 114.554 0.009 0.000 2.926 34 T HA 0.384 4.733 4.350 -0.000 0.000 0.307 34 T C -2.609 172.072 174.700 -0.032 0.000 1.059 34 T CA -1.448 60.658 62.100 0.011 0.000 1.122 34 T CB 0.029 68.930 68.868 0.057 0.000 0.972 34 T HN 0.036 nan 8.240 nan 0.000 0.545 35 P HA 0.177 nan 4.420 nan 0.000 0.266 35 P C -0.500 176.668 177.300 -0.221 0.000 1.195 35 P CA -0.630 62.408 63.100 -0.103 0.000 0.768 35 P CB 0.240 31.895 31.700 -0.075 0.000 0.838 36 L N 6.413 127.473 121.223 -0.272 0.000 2.369 36 L HA 0.307 4.647 4.340 -0.000 0.000 0.279 36 L C -2.129 174.545 176.870 -0.326 0.000 1.108 36 L CA -1.855 52.721 54.840 -0.440 0.000 0.852 36 L CB -0.301 41.593 42.059 -0.276 0.000 1.169 36 L HN 0.285 nan 8.230 nan 0.000 0.452 37 P HA 0.061 nan 4.420 nan 0.000 0.261 37 P C -2.481 174.755 177.300 -0.107 0.000 1.183 37 P CA -0.590 62.391 63.100 -0.199 0.000 0.761 37 P CB -0.258 31.343 31.700 -0.165 0.000 0.785 38 P HA 0.041 nan 4.420 nan 0.000 0.262 38 P C 1.075 178.376 177.300 0.001 0.000 1.182 38 P CA 1.266 64.346 63.100 -0.034 0.000 0.761 38 P CB 0.182 31.863 31.700 -0.032 0.000 0.795 39 G N 1.663 110.480 108.800 0.028 0.000 2.213 39 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.236 39 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.236 39 G C 0.337 175.330 174.900 0.154 0.000 0.991 39 G CA -0.003 45.144 45.100 0.079 0.000 0.629 39 G HN 0.594 nan 8.290 nan 0.000 0.517 40 T N 2.254 116.890 114.554 0.135 0.000 2.928 40 T HA 0.374 4.724 4.350 -0.000 0.000 0.305 40 T C 0.410 175.334 174.700 0.372 0.000 1.035 40 T CA -0.004 62.230 62.100 0.223 0.000 1.145 40 T CB 0.593 69.551 68.868 0.150 0.000 0.963 40 T HN 0.183 nan 8.240 nan 0.000 0.545 41 Y N 2.285 122.666 120.300 0.135 0.000 2.788 41 Y HA 0.124 4.674 4.550 -0.000 0.000 0.341 41 Y C 1.248 177.149 175.900 0.001 0.000 1.258 41 Y CA -0.181 57.943 58.100 0.040 0.000 1.503 41 Y CB 0.093 38.527 38.460 -0.043 0.000 1.325 41 Y HN 0.644 nan 8.280 nan 0.000 0.614 42 E N 3.330 123.497 120.200 -0.055 0.000 2.359 42 E HA 0.408 4.758 4.350 -0.000 0.000 0.266 42 E C -2.711 173.564 176.600 -0.542 0.000 0.920 42 E CA -2.446 53.752 56.400 -0.336 0.000 0.788 42 E CB 1.834 31.555 29.700 0.034 0.000 1.279 42 E HN 0.251 nan 8.360 nan 0.000 0.438 43 P HA 0.031 nan 4.420 nan 0.000 0.271 43 P C -0.967 176.196 177.300 -0.228 0.000 1.216 43 P CA 0.048 62.876 63.100 -0.454 0.000 0.776 43 P CB 0.551 32.061 31.700 -0.317 0.000 0.881 44 A N 3.675 126.406 122.820 -0.149 0.000 2.583 44 A HA -0.031 4.289 4.320 -0.000 0.000 0.231 44 A C -0.021 177.543 177.584 -0.034 0.000 1.065 44 A CA 0.082 52.074 52.037 -0.074 0.000 0.760 44 A CB -0.681 18.305 19.000 -0.023 0.000 1.001 44 A HN 0.571 nan 8.150 nan 0.000 0.509 45 Y N 0.702 120.917 120.300 -0.141 0.000 2.890 45 Y HA 0.110 4.659 4.550 -0.001 0.000 0.341 45 Y C 0.706 176.550 175.900 -0.093 0.000 1.269 45 Y CA 0.851 58.869 58.100 -0.137 0.000 1.517 45 Y CB 0.244 38.626 38.460 -0.130 0.000 1.314 45 Y HN 0.445 nan 8.280 nan 0.000 0.622 46 L N 5.156 125.928 121.223 -0.750 0.000 2.766 46 L HA 0.387 4.726 4.340 -0.000 0.000 0.242 46 L C 0.953 177.413 176.870 -0.684 0.000 1.136 46 L CA 0.380 54.885 54.840 -0.558 0.000 0.933 46 L CB -0.422 41.439 42.059 -0.330 0.000 1.241 46 L HN 1.053 nan 8.230 nan 0.000 0.522 47 G N -0.387 107.619 108.800 -1.323 0.000 2.549 47 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.404 47 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.404 47 G C 0.561 175.224 174.900 -0.395 0.000 1.292 47 G CA -0.455 44.250 45.100 -0.659 0.000 0.935 47 G HN 0.082 nan 8.290 nan 0.000 0.512 48 G N -0.595 108.153 108.800 -0.085 0.000 2.470 48 G HA2 0.023 3.983 3.960 -0.000 0.000 0.220 48 G HA3 0.023 3.983 3.960 -0.000 0.000 0.220 48 G C 1.433 176.320 174.900 -0.022 0.000 1.121 48 G CA 1.899 47.008 45.100 0.015 0.000 0.766 48 G HN 0.691 nan 8.290 nan 0.000 0.553 49 K N 0.344 120.697 120.400 -0.079 0.000 2.367 49 K HA 0.119 4.439 4.320 -0.000 0.000 0.194 49 K C 0.535 177.080 176.600 -0.092 0.000 1.027 49 K CA -0.388 55.858 56.287 -0.069 0.000 1.075 49 K CB 0.242 32.702 32.500 -0.068 0.000 0.845 49 K HN 0.130 nan 8.250 nan 0.000 0.529 50 D N 1.769 122.077 120.400 -0.154 0.000 2.570 50 D HA -0.080 4.560 4.640 -0.000 0.000 0.243 50 D C -1.587 174.675 176.300 -0.064 0.000 1.171 50 D CA -0.782 53.121 54.000 -0.161 0.000 0.879 50 D CB 1.067 41.701 40.800 -0.278 0.000 1.143 50 D HN 0.070 nan 8.370 nan 0.000 0.511 51 P HA -0.033 nan 4.420 nan 0.000 0.239 51 P C 0.599 177.911 177.300 0.020 0.000 1.184 51 P CA 0.539 63.627 63.100 -0.020 0.000 0.760 51 P CB 0.295 31.974 31.700 -0.035 0.000 0.884 52 R N -1.194 119.323 120.500 0.028 0.000 2.307 52 R HA 0.242 4.582 4.340 -0.000 0.000 0.200 52 R C 0.233 176.594 176.300 0.101 0.000 0.893 52 R CA 0.176 56.329 56.100 0.089 0.000 1.042 52 R CB 0.735 31.079 30.300 0.074 0.000 1.059 52 R HN 0.005 nan 8.270 nan 0.000 0.530 53 V N 2.189 122.145 119.914 0.071 0.000 2.588 53 V HA 0.269 4.388 4.120 -0.000 0.000 0.304 53 V C -0.698 175.445 176.094 0.082 0.000 1.042 53 V CA -1.124 61.225 62.300 0.081 0.000 0.877 53 V CB 2.154 34.026 31.823 0.082 0.000 0.996 53 V HN -0.028 nan 8.190 nan 0.000 0.425 54 K N 2.929 123.366 120.400 0.063 0.000 2.267 54 K HA 0.453 4.772 4.320 -0.000 0.000 0.282 54 K C 0.839 177.464 176.600 0.042 0.000 1.078 54 K CA 0.207 56.523 56.287 0.048 0.000 0.903 54 K CB 0.856 33.378 32.500 0.038 0.000 1.111 54 K HN 1.156 nan 8.250 nan 0.000 0.475 55 G N 2.791 111.621 108.800 0.050 0.000 2.359 55 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.298 55 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.298 55 G C 0.479 175.400 174.900 0.035 0.000 1.030 55 G CA 0.257 45.383 45.100 0.042 0.000 1.149 55 G HN 0.766 nan 8.290 nan 0.000 0.512 56 G N 0.317 109.156 108.800 0.065 0.000 2.537 56 G HA2 0.815 4.774 3.960 -0.000 0.000 0.297 56 G HA3 0.815 4.774 3.960 -0.000 0.000 0.297 56 G C -1.076 173.851 174.900 0.045 0.000 1.310 56 G CA -0.616 44.477 45.100 -0.013 0.000 1.027 56 G HN 0.415 nan 8.290 nan 0.000 0.505 57 P HA 0.093 nan 4.420 nan 0.000 0.269 57 P C 0.434 177.829 177.300 0.157 0.000 1.211 57 P CA -0.119 63.002 63.100 0.036 0.000 0.781 57 P CB 0.472 32.156 31.700 -0.025 0.000 0.877 58 S N 0.731 116.495 115.700 0.107 0.000 2.579 58 S HA 0.090 4.560 4.470 -0.000 0.000 0.275 58 S C 1.549 176.228 174.600 0.131 0.000 1.345 58 S CA -0.612 57.650 58.200 0.104 0.000 1.031 58 S CB 0.046 63.283 63.200 0.062 0.000 0.892 58 S HN 0.359 nan 8.310 nan 0.000 0.529 59 L N 0.858 122.142 121.223 0.102 0.000 2.127 59 L HA -0.154 4.185 4.340 -0.000 0.000 0.211 59 L C 2.919 179.832 176.870 0.071 0.000 1.089 59 L CA 1.151 56.042 54.840 0.086 0.000 0.757 59 L CB -0.577 41.495 42.059 0.021 0.000 0.899 59 L HN 0.687 nan 8.230 nan 0.000 0.434 60 Q N -0.230 119.607 119.800 0.062 0.000 2.096 60 Q HA -0.268 4.072 4.340 -0.000 0.000 0.204 60 Q C 2.171 178.228 176.000 0.094 0.000 0.982 60 Q CA 1.719 57.569 55.803 0.078 0.000 0.850 60 Q CB -0.219 28.566 28.738 0.079 0.000 0.901 60 Q HN 0.473 nan 8.270 nan 0.000 0.422 61 Q N 0.336 120.180 119.800 0.073 0.000 2.046 61 Q HA -0.097 4.243 4.340 -0.000 0.000 0.200 61 Q C 1.945 177.969 176.000 0.040 0.000 0.975 61 Q CA 1.667 57.498 55.803 0.048 0.000 0.836 61 Q CB -0.418 28.339 28.738 0.031 0.000 0.896 61 Q HN 0.258 nan 8.270 nan 0.000 0.428 62 V N -0.403 119.544 119.914 0.055 0.000 2.626 62 V HA -0.140 3.980 4.120 -0.000 0.000 0.252 62 V C 2.005 178.133 176.094 0.057 0.000 1.067 62 V CA 1.969 64.298 62.300 0.048 0.000 1.081 62 V CB -0.405 31.458 31.823 0.067 0.000 0.686 62 V HN 0.585 nan 8.190 nan 0.000 0.468 63 M N -0.169 119.471 119.600 0.065 0.000 2.156 63 M HA -0.087 4.393 4.480 -0.000 0.000 0.264 63 M C 2.428 178.771 176.300 0.072 0.000 1.067 63 M CA 1.803 57.141 55.300 0.063 0.000 1.131 63 M CB -0.235 32.396 32.600 0.052 0.000 1.368 63 M HN 0.256 nan 8.290 nan 0.000 0.416 64 R N 0.408 120.953 120.500 0.075 0.000 2.103 64 R HA -0.187 4.153 4.340 -0.000 0.000 0.242 64 R C 1.579 177.889 176.300 0.015 0.000 1.142 64 R CA 2.024 58.139 56.100 0.026 0.000 0.960 64 R CB -0.431 29.837 30.300 -0.053 0.000 0.858 64 R HN 0.471 nan 8.270 nan 0.000 0.439 65 D N -0.035 120.378 120.400 0.022 0.000 2.182 65 D HA -0.162 4.477 4.640 -0.000 0.000 0.201 65 D C 1.899 178.239 176.300 0.066 0.000 0.986 65 D CA 1.033 55.048 54.000 0.026 0.000 0.847 65 D CB -0.064 40.745 40.800 0.015 0.000 0.942 65 D HN 0.223 nan 8.370 nan 0.000 0.467 66 Q N -0.221 119.637 119.800 0.096 0.000 2.245 66 Q HA 0.071 4.411 4.340 -0.000 0.000 0.201 66 Q C 2.458 178.620 176.000 0.270 0.000 0.955 66 Q CA 0.269 56.172 55.803 0.166 0.000 0.870 66 Q CB 0.151 28.982 28.738 0.155 0.000 0.945 66 Q HN 0.382 nan 8.270 nan 0.000 0.461 67 L N 0.224 121.560 121.223 0.188 0.000 2.209 67 L HA -0.072 4.268 4.340 -0.000 0.000 0.207 67 L C 2.320 179.348 176.870 0.263 0.000 1.094 67 L CA 0.477 55.448 54.840 0.218 0.000 0.790 67 L CB -0.204 41.904 42.059 0.083 0.000 0.932 67 L HN 0.040 nan 8.230 nan 0.000 0.447 68 K N 1.250 121.736 120.400 0.144 0.000 2.044 68 K HA -0.153 4.167 4.320 -0.000 0.000 0.210 68 K C -0.722 175.935 176.600 0.095 0.000 1.049 68 K CA 1.764 58.102 56.287 0.085 0.000 0.927 68 K CB -1.359 31.155 32.500 0.023 0.000 0.713 68 K HN 0.072 nan 8.250 nan 0.000 0.443 69 P HA -0.100 nan 4.420 nan 0.000 0.223 69 P C 0.621 177.854 177.300 -0.111 0.000 1.144 69 P CA 1.096 64.171 63.100 -0.041 0.000 0.783 69 P CB -0.072 31.569 31.700 -0.098 0.000 0.771 70 F N -0.631 119.346 119.950 0.045 0.000 2.367 70 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 70 F C 2.161 177.986 175.800 0.042 0.000 1.094 70 F CA 1.607 59.646 58.000 0.065 0.000 1.409 70 F CB -1.004 38.092 39.000 0.159 0.000 1.064 70 F HN -0.018 nan 8.300 nan 0.000 0.528 71 T N -3.472 111.194 114.554 0.188 0.000 3.040 71 T HA 0.146 4.496 4.350 -0.000 0.000 0.250 71 T C 0.588 175.313 174.700 0.043 0.000 1.058 71 T CA -0.181 61.983 62.100 0.107 0.000 0.988 71 T CB -0.290 68.632 68.868 0.089 0.000 0.993 71 T HN 0.066 nan 8.240 nan 0.000 0.519 72 E N 2.502 122.713 120.200 0.018 0.000 2.409 72 E HA 0.245 4.594 4.350 -0.000 0.000 0.257 72 E C -2.407 174.178 176.600 -0.025 0.000 1.150 72 E CA -1.825 54.568 56.400 -0.012 0.000 0.942 72 E CB 0.057 29.739 29.700 -0.030 0.000 0.979 72 E HN 0.226 nan 8.360 nan 0.000 0.447 73 P HA -0.007 nan 4.420 nan 0.000 0.265 73 P C -0.570 176.699 177.300 -0.050 0.000 1.187 73 P CA 0.255 63.336 63.100 -0.032 0.000 0.766 73 P CB 0.523 32.205 31.700 -0.029 0.000 0.820 74 R N 1.434 121.903 120.500 -0.051 0.000 2.615 74 R HA 0.491 4.830 4.340 -0.000 0.000 0.270 74 R C 1.185 177.449 176.300 -0.061 0.000 1.081 74 R CA 0.347 56.404 56.100 -0.071 0.000 1.154 74 R CB -0.160 30.098 30.300 -0.070 0.000 1.063 74 R HN 0.632 nan 8.270 nan 0.000 0.519 75 G N 1.334 110.091 108.800 -0.070 0.000 2.631 75 G HA2 0.090 4.049 3.960 -0.000 0.000 0.271 75 G HA3 0.090 4.049 3.960 -0.000 0.000 0.271 75 G C -0.782 174.105 174.900 -0.022 0.000 1.302 75 G CA -0.492 44.587 45.100 -0.036 0.000 1.002 75 G HN 0.341 nan 8.290 nan 0.000 0.519 76 K N 1.324 121.736 120.400 0.020 0.000 2.249 76 K HA 0.274 4.594 4.320 -0.000 0.000 0.280 76 K C -2.299 174.301 176.600 -0.000 0.000 1.033 76 K CA -1.872 54.427 56.287 0.020 0.000 0.946 76 K CB 1.375 33.904 32.500 0.048 0.000 1.005 76 K HN 0.244 nan 8.250 nan 0.000 0.469 77 P HA 0.117 nan 4.420 nan 0.000 0.269 77 P C -2.461 174.722 177.300 -0.195 0.000 1.215 77 P CA -1.208 61.794 63.100 -0.163 0.000 0.780 77 P CB -0.541 31.087 31.700 -0.120 0.000 0.898 78 P HA 0.019 nan 4.420 nan 0.000 0.266 78 P C 0.220 177.457 177.300 -0.105 0.000 1.195 78 P CA 0.219 63.112 63.100 -0.345 0.000 0.768 78 P CB 0.201 31.606 31.700 -0.492 0.000 0.838 79 K N 5.229 125.630 120.400 0.001 0.000 2.511 79 K HA -0.122 4.198 4.320 -0.000 0.000 0.277 79 K C -1.479 175.107 176.600 -0.023 0.000 1.025 79 K CA -0.530 55.759 56.287 0.004 0.000 1.112 79 K CB -0.063 32.456 32.500 0.032 0.000 0.859 79 K HN 0.296 nan 8.250 nan 0.000 0.485 80 P HA -0.230 nan 4.420 nan 0.000 0.216 80 P C 1.067 178.352 177.300 -0.025 0.000 1.150 80 P CA 1.634 64.714 63.100 -0.033 0.000 0.843 80 P CB 0.156 31.841 31.700 -0.025 0.000 0.787 81 S N -1.088 114.605 115.700 -0.012 0.000 2.414 81 S HA -0.094 4.376 4.470 -0.000 0.000 0.227 81 S C 1.982 176.581 174.600 -0.002 0.000 1.022 81 S CA 1.113 59.309 58.200 -0.006 0.000 0.958 81 S CB -1.771 61.430 63.200 0.001 0.000 0.797 81 S HN 0.152 nan 8.310 nan 0.000 0.493 82 V N -0.115 119.801 119.914 0.003 0.000 2.548 82 V HA 0.077 4.196 4.120 -0.000 0.000 0.249 82 V C 2.228 178.316 176.094 -0.011 0.000 1.055 82 V CA 1.259 63.566 62.300 0.012 0.000 1.065 82 V CB -0.946 30.902 31.823 0.041 0.000 0.681 82 V HN 0.401 nan 8.190 nan 0.000 0.462 83 L N 1.039 122.239 121.223 -0.038 0.000 2.017 83 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 83 L C 2.531 179.369 176.870 -0.054 0.000 1.073 83 L CA 2.589 57.390 54.840 -0.065 0.000 0.745 83 L CB -0.939 41.066 42.059 -0.091 0.000 0.894 83 L HN 0.535 nan 8.230 nan 0.000 0.432 84 E N -0.135 120.041 120.200 -0.040 0.000 2.077 84 E HA -0.170 4.179 4.350 -0.000 0.000 0.193 84 E C 2.088 178.670 176.600 -0.031 0.000 0.989 84 E CA 1.545 57.924 56.400 -0.035 0.000 0.800 84 E CB -0.388 29.296 29.700 -0.026 0.000 0.746 84 E HN 0.537 nan 8.360 nan 0.000 0.452 85 A N 0.913 123.721 122.820 -0.019 0.000 1.877 85 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 85 A C 2.491 180.064 177.584 -0.018 0.000 1.186 85 A CA 2.325 54.356 52.037 -0.008 0.000 0.620 85 A CB -1.204 17.801 19.000 0.009 0.000 0.822 85 A HN 0.395 nan 8.150 nan 0.000 0.443 86 A N -0.285 122.519 122.820 -0.026 0.000 1.883 86 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 86 A C 2.155 179.663 177.584 -0.126 0.000 1.186 86 A CA 2.178 54.182 52.037 -0.054 0.000 0.624 86 A CB -0.546 18.424 19.000 -0.049 0.000 0.822 86 A HN 0.564 nan 8.150 nan 0.000 0.444 87 K N -0.190 120.143 120.400 -0.111 0.000 2.032 87 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 87 K C 2.079 178.620 176.600 -0.098 0.000 1.048 87 K CA 1.904 58.119 56.287 -0.120 0.000 0.927 87 K CB -0.193 32.261 32.500 -0.077 0.000 0.712 87 K HN 0.486 nan 8.250 nan 0.000 0.441 88 K N -0.392 119.972 120.400 -0.059 0.000 2.057 88 K HA -0.094 4.226 4.320 -0.000 0.000 0.207 88 K C 2.140 178.722 176.600 -0.030 0.000 1.049 88 K CA 1.895 58.163 56.287 -0.031 0.000 0.931 88 K CB -0.166 32.325 32.500 -0.015 0.000 0.714 88 K HN 0.189 nan 8.250 nan 0.000 0.440 89 T N 1.826 116.356 114.554 -0.040 0.000 2.684 89 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 89 T C 1.896 176.543 174.700 -0.089 0.000 1.036 89 T CA 1.261 63.348 62.100 -0.022 0.000 1.148 89 T CB -0.198 68.680 68.868 0.018 0.000 0.863 89 T HN 0.145 nan 8.240 nan 0.000 0.436 90 I N 0.302 120.713 120.570 -0.266 0.000 2.226 90 I HA -0.118 4.051 4.170 -0.000 0.000 0.245 90 I C 2.250 178.219 176.117 -0.247 0.000 1.100 90 I CA 1.261 62.228 61.300 -0.556 0.000 1.374 90 I CB -0.342 37.103 38.000 -0.924 0.000 1.057 90 I HN 0.217 nan 8.210 nan 0.000 0.413 91 I N 0.852 121.382 120.570 -0.066 0.000 2.286 91 I HA -0.327 3.843 4.170 -0.000 0.000 0.248 91 I C 2.311 178.524 176.117 0.161 0.000 1.115 91 I CA 1.575 62.978 61.300 0.171 0.000 1.392 91 I CB -0.467 37.631 38.000 0.164 0.000 1.065 91 I HN 0.335 nan 8.210 nan 0.000 0.418 92 N N 0.734 119.476 118.700 0.070 0.000 2.058 92 N HA -0.168 4.572 4.740 -0.000 0.000 0.191 92 N C 1.784 177.331 175.510 0.061 0.000 1.037 92 N CA 1.613 54.705 53.050 0.069 0.000 0.848 92 N CB -0.204 38.312 38.487 0.049 0.000 1.021 92 N HN 0.057 nan 8.380 nan 0.000 0.422 93 V N 0.472 120.424 119.914 0.063 0.000 2.324 93 V HA -0.215 3.905 4.120 -0.000 0.000 0.250 93 V C 2.248 178.362 176.094 0.032 0.000 1.060 93 V CA 1.231 63.593 62.300 0.103 0.000 1.042 93 V CB -0.631 31.361 31.823 0.281 0.000 0.650 93 V HN 0.342 nan 8.190 nan 0.000 0.450 94 L N -0.259 120.930 121.223 -0.058 0.000 2.056 94 L HA -0.128 4.211 4.340 -0.000 0.000 0.207 94 L C 2.453 179.166 176.870 -0.262 0.000 1.078 94 L CA 1.685 56.347 54.840 -0.297 0.000 0.749 94 L CB -1.258 40.331 42.059 -0.784 0.000 0.901 94 L HN 0.417 nan 8.230 nan 0.000 0.433 95 E N -0.852 119.330 120.200 -0.029 0.000 2.118 95 E HA -0.252 4.097 4.350 -0.000 0.000 0.195 95 E C 1.997 178.619 176.600 0.036 0.000 0.992 95 E CA 1.112 57.588 56.400 0.128 0.000 0.804 95 E CB -0.052 29.770 29.700 0.205 0.000 0.741 95 E HN 0.596 nan 8.360 nan 0.000 0.458 96 Q N -0.726 119.077 119.800 0.005 0.000 2.432 96 Q HA 0.005 4.345 4.340 -0.000 0.000 0.205 96 Q C 1.385 177.353 176.000 -0.054 0.000 0.945 96 Q CA 0.868 56.667 55.803 -0.007 0.000 0.924 96 Q CB 0.611 29.355 28.738 0.010 0.000 1.016 96 Q HN 0.137 nan 8.270 nan 0.000 0.503 97 T N 0.305 114.785 114.554 -0.122 0.000 3.071 97 T HA 0.185 4.535 4.350 -0.000 0.000 0.239 97 T C 0.845 175.264 174.700 -0.467 0.000 0.997 97 T CA 0.019 61.975 62.100 -0.240 0.000 1.134 97 T CB 0.278 69.008 68.868 -0.229 0.000 0.928 97 T HN 0.248 nan 8.240 nan 0.000 0.453 98 I N -0.249 120.084 120.570 -0.395 0.000 2.676 98 I HA 0.611 4.781 4.170 -0.000 0.000 0.309 98 I C -1.022 175.026 176.117 -0.115 0.000 0.990 98 I CA -1.063 59.994 61.300 -0.405 0.000 1.168 98 I CB 1.185 39.018 38.000 -0.279 0.000 1.343 98 I HN -0.161 nan 8.210 nan 0.000 0.482 99 D N 3.301 123.709 120.400 0.014 0.000 2.294 99 D HA 0.373 5.012 4.640 -0.000 0.000 0.250 99 D C -2.458 173.903 176.300 0.102 0.000 1.058 99 D CA -1.102 52.945 54.000 0.078 0.000 0.950 99 D CB 1.187 42.056 40.800 0.115 0.000 1.158 99 D HN 0.388 nan 8.370 nan 0.000 0.453 100 P HA 0.120 nan 4.420 nan 0.000 0.261 100 P C -2.408 174.968 177.300 0.126 0.000 1.183 100 P CA -0.599 62.578 63.100 0.128 0.000 0.761 100 P CB -0.255 31.510 31.700 0.107 0.000 0.785 101 P HA 0.136 nan 4.420 nan 0.000 0.275 101 P C -0.253 177.130 177.300 0.138 0.000 1.227 101 P CA -0.120 63.059 63.100 0.131 0.000 0.781 101 P CB 0.591 32.361 31.700 0.116 0.000 0.906 102 E N 1.733 122.033 120.200 0.166 0.000 2.398 102 E HA 0.053 4.403 4.350 -0.000 0.000 0.263 102 E C -0.081 176.658 176.600 0.232 0.000 1.046 102 E CA -0.241 56.274 56.400 0.191 0.000 0.908 102 E CB 0.487 30.315 29.700 0.213 0.000 0.963 102 E HN 0.302 nan 8.360 nan 0.000 0.431 103 K N 1.976 122.501 120.400 0.208 0.000 2.412 103 K HA 0.041 4.361 4.320 -0.000 0.000 0.281 103 K C -0.761 176.054 176.600 0.359 0.000 1.027 103 K CA 0.054 56.479 56.287 0.231 0.000 0.989 103 K CB 0.424 33.031 32.500 0.179 0.000 0.935 103 K HN 0.311 nan 8.250 nan 0.000 0.475 104 W N 2.096 123.413 121.300 0.029 0.000 2.351 104 W HA 0.110 4.770 4.660 -0.001 0.000 0.311 104 W C 0.698 177.233 176.519 0.027 0.000 1.168 104 W CA -0.730 56.622 57.345 0.012 0.000 1.200 104 W CB 0.769 30.214 29.460 -0.025 0.000 1.221 104 W HN 0.561 nan 8.180 nan 0.000 0.519 105 S N 2.539 118.342 115.700 0.173 0.000 2.645 105 S HA 0.164 4.633 4.470 -0.000 0.000 0.266 105 S C 0.899 175.614 174.600 0.192 0.000 1.258 105 S CA -0.510 57.786 58.200 0.161 0.000 0.990 105 S CB 0.615 63.874 63.200 0.098 0.000 0.967 105 S HN 0.415 nan 8.310 nan 0.000 0.556 106 F N 2.081 122.072 119.950 0.068 0.000 2.087 106 F HA -0.157 4.370 4.527 -0.000 0.000 0.299 106 F C 2.429 178.271 175.800 0.070 0.000 1.100 106 F CA 2.458 60.504 58.000 0.076 0.000 1.226 106 F CB -1.511 37.540 39.000 0.086 0.000 0.983 106 F HN 0.724 nan 8.300 nan 0.000 0.479 107 T N 0.574 115.083 114.554 -0.075 0.000 2.607 107 T HA -0.295 4.055 4.350 -0.000 0.000 0.267 107 T C 1.863 176.436 174.700 -0.212 0.000 1.049 107 T CA 2.038 64.023 62.100 -0.190 0.000 1.162 107 T CB -0.528 68.291 68.868 -0.080 0.000 0.863 107 T HN 0.434 nan 8.240 nan 0.000 0.424 108 Q N 0.827 120.491 119.800 -0.226 0.000 2.112 108 Q HA -0.101 4.238 4.340 -0.000 0.000 0.206 108 Q C 2.768 178.554 176.000 -0.357 0.000 0.987 108 Q CA 1.494 57.035 55.803 -0.437 0.000 0.858 108 Q CB -0.462 27.825 28.738 -0.752 0.000 0.905 108 Q HN 0.579 nan 8.270 nan 0.000 0.420 109 A N 0.482 123.273 122.820 -0.048 0.000 1.917 109 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 109 A C 2.329 179.929 177.584 0.027 0.000 1.182 109 A CA 1.628 53.771 52.037 0.177 0.000 0.633 109 A CB -1.036 18.080 19.000 0.193 0.000 0.819 109 A HN 0.526 nan 8.150 nan 0.000 0.448 110 C N -1.376 117.835 119.300 -0.148 0.000 2.466 110 C HA 0.174 4.634 4.460 -0.000 0.000 0.278 110 C C 3.310 178.123 174.990 -0.295 0.000 1.288 110 C CA 0.538 59.440 59.018 -0.192 0.000 1.722 110 C CB -1.279 26.278 27.740 -0.305 0.000 2.017 110 C HN 0.717 nan 8.230 nan 0.000 0.488 111 A N 1.191 123.884 122.820 -0.212 0.000 2.024 111 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 111 A C 2.231 179.697 177.584 -0.197 0.000 1.164 111 A CA 2.224 54.149 52.037 -0.186 0.000 0.643 111 A CB -0.653 18.264 19.000 -0.138 0.000 0.806 111 A HN 0.727 nan 8.150 nan 0.000 0.451 112 S N -0.838 114.780 115.700 -0.138 0.000 2.496 112 S HA 0.235 4.705 4.470 -0.000 0.000 0.224 112 S C 0.617 175.215 174.600 -0.004 0.000 0.996 112 S CA -0.269 57.923 58.200 -0.013 0.000 0.927 112 S CB -0.542 62.782 63.200 0.207 0.000 0.774 112 S HN 0.378 nan 8.310 nan 0.000 0.524 113 L N 2.531 123.707 121.223 -0.078 0.000 2.397 113 L HA 0.305 4.645 4.340 -0.000 0.000 0.271 113 L C 0.219 177.011 176.870 -0.129 0.000 1.148 113 L CA -0.496 54.310 54.840 -0.057 0.000 0.825 113 L CB 0.216 42.269 42.059 -0.009 0.000 1.117 113 L HN 0.123 nan 8.230 nan 0.000 0.456 114 D N 3.106 123.476 120.400 -0.050 0.000 2.346 114 D HA -0.027 4.613 4.640 -0.000 0.000 0.267 114 D C 0.815 177.060 176.300 -0.091 0.000 1.320 114 D CA 0.065 54.032 54.000 -0.055 0.000 0.951 114 D CB 0.817 41.622 40.800 0.007 0.000 1.079 114 D HN 0.281 nan 8.370 nan 0.000 0.509 115 K N 1.922 122.207 120.400 -0.192 0.000 2.439 115 K HA -0.061 4.259 4.320 -0.000 0.000 0.197 115 K C 1.554 178.112 176.600 -0.069 0.000 1.041 115 K CA 0.355 56.505 56.287 -0.228 0.000 0.970 115 K CB -0.060 32.173 32.500 -0.446 0.000 0.773 115 K HN 0.309 nan 8.250 nan 0.000 0.479 116 T N 1.185 115.718 114.554 -0.036 0.000 3.088 116 T HA -0.016 4.334 4.350 -0.000 0.000 0.259 116 T C 0.744 175.460 174.700 0.026 0.000 1.122 116 T CA 0.591 62.693 62.100 0.004 0.000 1.095 116 T CB 0.136 69.007 68.868 0.006 0.000 0.930 116 T HN 0.479 nan 8.240 nan 0.000 0.508 117 T N -1.095 113.477 114.554 0.031 0.000 2.923 117 T HA 0.586 4.936 4.350 -0.000 0.000 0.281 117 T C 0.264 175.003 174.700 0.065 0.000 0.995 117 T CA -0.755 61.377 62.100 0.053 0.000 0.985 117 T CB 1.368 70.273 68.868 0.062 0.000 1.114 117 T HN -0.038 nan 8.240 nan 0.000 0.548 118 S N 0.156 115.904 115.700 0.079 0.000 2.562 118 S HA 0.175 4.645 4.470 -0.000 0.000 0.281 118 S C 1.632 176.270 174.600 0.064 0.000 1.333 118 S CA -0.090 58.162 58.200 0.086 0.000 1.052 118 S CB 0.134 63.406 63.200 0.120 0.000 0.884 118 S HN 0.978 nan 8.310 nan 0.000 0.506 119 S N 4.077 119.799 115.700 0.038 0.000 2.481 119 S HA 0.255 4.724 4.470 -0.000 0.000 0.231 119 S C 1.332 175.901 174.600 -0.051 0.000 0.996 119 S CA 0.587 58.779 58.200 -0.014 0.000 0.942 119 S CB -1.367 61.811 63.200 -0.038 0.000 0.768 119 S HN 1.866 nan 8.310 nan 0.000 0.520 120 G N 1.166 109.933 108.800 -0.054 0.000 2.598 120 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.244 120 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.244 120 G C -0.288 174.289 174.900 -0.538 0.000 1.302 120 G CA 0.098 45.122 45.100 -0.126 0.000 0.903 120 G HN 1.006 nan 8.290 nan 0.000 0.575 121 H N 2.524 121.263 119.070 -0.552 0.000 3.001 121 H HA 0.346 4.901 4.556 -0.001 0.000 0.334 121 H C -0.736 174.339 175.328 -0.421 0.000 1.034 121 H CA 0.199 55.925 56.048 -0.537 0.000 1.420 121 H CB 1.236 30.877 29.762 -0.201 0.000 1.405 121 H HN 0.281 nan 8.280 nan 0.000 0.593 122 P HA 0.004 nan 4.420 nan 0.000 0.261 122 P C 0.444 177.343 177.300 -0.669 0.000 1.268 122 P CA 0.736 63.124 63.100 -1.186 0.000 0.833 122 P CB 0.556 31.551 31.700 -1.175 0.000 1.231 123 H N -0.695 118.149 119.070 -0.378 0.000 2.465 123 H HA 0.064 4.619 4.556 -0.001 0.000 0.289 123 H C 0.437 175.735 175.328 -0.050 0.000 1.022 123 H CA 0.773 56.722 56.048 -0.166 0.000 1.340 123 H CB -0.706 28.977 29.762 -0.132 0.000 1.437 123 H HN 0.276 nan 8.280 nan 0.000 0.539 124 H N -0.845 118.265 119.070 0.066 0.000 2.791 124 H HA -0.133 4.422 4.556 -0.001 0.000 0.302 124 H C 0.044 175.408 175.328 0.061 0.000 1.198 124 H CA 0.657 56.737 56.048 0.053 0.000 1.145 124 H CB -1.693 28.090 29.762 0.035 0.000 1.385 124 H HN 0.249 nan 8.280 nan 0.000 0.409 125 M N 0.156 119.828 119.600 0.120 0.000 2.478 125 M HA 0.289 4.769 4.480 -0.000 0.000 0.327 125 M C 1.128 177.480 176.300 0.086 0.000 1.187 125 M CA -0.698 54.660 55.300 0.096 0.000 1.022 125 M CB 1.705 34.347 32.600 0.070 0.000 1.629 125 M HN 0.145 nan 8.290 nan 0.000 0.461 126 R N 1.450 122.000 120.500 0.084 0.000 2.522 126 R HA 0.001 4.341 4.340 -0.000 0.000 0.284 126 R C 0.819 177.180 176.300 0.102 0.000 1.032 126 R CA 0.425 56.574 56.100 0.082 0.000 1.049 126 R CB 0.598 30.941 30.300 0.072 0.000 0.956 126 R HN 0.611 nan 8.270 nan 0.000 0.422 127 K N 2.588 123.053 120.400 0.108 0.000 2.160 127 K HA -0.248 4.072 4.320 -0.000 0.000 0.206 127 K C 1.489 178.231 176.600 0.236 0.000 1.047 127 K CA 2.097 58.499 56.287 0.193 0.000 0.930 127 K CB -0.115 32.498 32.500 0.188 0.000 0.720 127 K HN 0.614 nan 8.250 nan 0.000 0.450 128 N N 0.641 119.422 118.700 0.136 0.000 2.381 128 N HA -0.131 4.608 4.740 -0.000 0.000 0.182 128 N C 1.000 176.647 175.510 0.227 0.000 1.025 128 N CA 0.872 54.034 53.050 0.188 0.000 0.888 128 N CB 0.172 38.730 38.487 0.118 0.000 0.965 128 N HN 0.111 nan 8.380 nan 0.000 0.438 129 D N -0.540 119.962 120.400 0.170 0.000 2.144 129 D HA -0.073 4.567 4.640 -0.000 0.000 0.199 129 D C 0.207 176.600 176.300 0.156 0.000 0.984 129 D CA 0.851 54.932 54.000 0.134 0.000 0.834 129 D CB -0.144 40.713 40.800 0.095 0.000 0.955 129 D HN 0.250 nan 8.370 nan 0.000 0.465 130 C N 1.266 120.701 119.300 0.225 0.000 2.626 130 C HA 0.282 4.742 4.460 -0.000 0.000 0.356 130 C C -0.640 174.623 174.990 0.455 0.000 1.398 130 C CA -0.917 58.254 59.018 0.256 0.000 1.678 130 C CB -0.840 27.013 27.740 0.188 0.000 2.430 130 C HN 0.292 nan 8.230 nan 0.000 0.561 131 W N 3.946 125.306 121.300 0.100 0.000 3.268 131 W HA 0.260 4.920 4.660 -0.000 0.000 0.330 131 W C -1.478 175.022 176.519 -0.030 0.000 1.074 131 W CA -0.616 56.733 57.345 0.006 0.000 1.263 131 W CB 0.776 30.198 29.460 -0.063 0.000 1.250 131 W HN 0.605 nan 8.180 nan 0.000 0.425 132 N N 1.670 120.059 118.700 -0.519 0.000 2.513 132 N HA 0.360 5.099 4.740 -0.000 0.000 0.274 132 N C 1.233 175.977 175.510 -1.275 0.000 1.189 132 N CA 0.252 52.942 53.050 -0.600 0.000 0.975 132 N CB 1.026 39.281 38.487 -0.388 0.000 1.157 132 N HN 0.416 nan 8.380 nan 0.000 0.465 133 G N -0.790 107.563 108.800 -0.745 0.000 2.601 133 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.214 133 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.214 133 G C 0.846 175.368 174.900 -0.630 0.000 1.132 133 G CA 0.787 45.568 45.100 -0.533 0.000 0.761 133 G HN 0.844 nan 8.290 nan 0.000 0.550 134 E N -1.660 117.976 120.200 -0.940 0.000 2.354 134 E HA 0.195 4.545 4.350 -0.000 0.000 0.203 134 E C 0.483 176.588 176.600 -0.825 0.000 0.841 134 E CA 0.028 56.045 56.400 -0.638 0.000 1.046 134 E CB 0.582 30.066 29.700 -0.361 0.000 1.040 134 E HN 0.196 nan 8.360 nan 0.000 0.504 135 S N -0.831 114.262 115.700 -1.012 0.000 2.599 135 S HA 0.507 4.977 4.470 -0.000 0.000 0.287 135 S C -1.114 173.250 174.600 -0.394 0.000 1.105 135 S CA -0.768 57.110 58.200 -0.536 0.000 0.899 135 S CB 0.618 63.699 63.200 -0.199 0.000 1.100 135 S HN 0.132 nan 8.310 nan 0.000 0.482 136 F N 2.070 122.127 119.950 0.178 0.000 2.418 136 F HA 0.395 4.921 4.527 -0.001 0.000 0.341 136 F C 1.191 177.061 175.800 0.116 0.000 1.120 136 F CA 0.176 58.344 58.000 0.281 0.000 1.232 136 F CB 1.061 40.228 39.000 0.278 0.000 1.175 136 F HN 0.389 nan 8.300 nan 0.000 0.569 137 T N 1.128 115.895 114.554 0.356 0.000 2.908 137 T HA 0.592 4.942 4.350 -0.000 0.000 0.290 137 T C 0.616 175.378 174.700 0.104 0.000 1.034 137 T CA -0.283 61.915 62.100 0.163 0.000 1.010 137 T CB 1.484 70.409 68.868 0.096 0.000 1.068 137 T HN 0.974 nan 8.240 nan 0.000 0.481 138 G N 2.493 111.323 108.800 0.050 0.000 2.665 138 G HA2 -0.409 3.550 3.960 -0.000 0.000 0.326 138 G HA3 -0.409 3.550 3.960 -0.000 0.000 0.326 138 G C 1.063 175.933 174.900 -0.051 0.000 1.231 138 G CA 1.148 46.246 45.100 -0.004 0.000 0.992 138 G HN 0.759 nan 8.290 nan 0.000 0.549 139 K N 0.272 120.580 120.400 -0.153 0.000 2.063 139 K HA 0.089 4.409 4.320 -0.000 0.000 0.208 139 K C 2.668 179.104 176.600 -0.272 0.000 1.048 139 K CA 1.653 57.728 56.287 -0.354 0.000 0.928 139 K CB -0.249 31.799 32.500 -0.752 0.000 0.713 139 K HN 0.440 nan 8.250 nan 0.000 0.442 140 L N 0.034 121.146 121.223 -0.185 0.000 2.162 140 L HA 0.004 4.344 4.340 -0.000 0.000 0.205 140 L C 2.583 179.375 176.870 -0.130 0.000 1.086 140 L CA 0.617 55.331 54.840 -0.210 0.000 0.778 140 L CB -0.606 41.270 42.059 -0.305 0.000 0.928 140 L HN 0.166 nan 8.230 nan 0.000 0.446 141 A N -0.011 122.851 122.820 0.069 0.000 1.948 141 A HA -0.286 4.034 4.320 -0.000 0.000 0.220 141 A C 2.071 179.727 177.584 0.120 0.000 1.177 141 A CA 2.059 54.210 52.037 0.190 0.000 0.636 141 A CB -0.584 18.528 19.000 0.187 0.000 0.815 141 A HN 0.400 nan 8.150 nan 0.000 0.449 142 D N -1.104 119.326 120.400 0.051 0.000 2.092 142 D HA -0.201 4.438 4.640 -0.000 0.000 0.193 142 D C 2.119 178.445 176.300 0.043 0.000 0.994 142 D CA 1.808 55.832 54.000 0.040 0.000 0.828 142 D CB -0.098 40.719 40.800 0.028 0.000 0.963 142 D HN 0.699 nan 8.370 nan 0.000 0.450 143 Q N -0.089 119.733 119.800 0.038 0.000 2.096 143 Q HA -0.047 4.292 4.340 -0.000 0.000 0.197 143 Q C 2.089 178.106 176.000 0.029 0.000 0.964 143 Q CA 1.147 56.967 55.803 0.027 0.000 0.838 143 Q CB -0.029 28.726 28.738 0.029 0.000 0.906 143 Q HN 0.183 nan 8.270 nan 0.000 0.444 144 A N 0.211 123.057 122.820 0.042 0.000 1.908 144 A HA -0.194 4.125 4.320 -0.000 0.000 0.218 144 A C 2.185 179.913 177.584 0.240 0.000 1.181 144 A CA 1.919 54.086 52.037 0.218 0.000 0.627 144 A CB -0.919 18.302 19.000 0.369 0.000 0.818 144 A HN 0.445 nan 8.150 nan 0.000 0.445 145 S N -0.703 115.065 115.700 0.113 0.000 2.371 145 S HA -0.155 4.315 4.470 -0.000 0.000 0.224 145 S C 2.142 176.672 174.600 -0.117 0.000 1.029 145 S CA 1.867 59.977 58.200 -0.151 0.000 0.978 145 S CB -0.271 62.879 63.200 -0.083 0.000 0.833 145 S HN 0.494 nan 8.310 nan 0.000 0.466 146 K N 1.846 122.228 120.400 -0.030 0.000 2.074 146 K HA 0.036 4.356 4.320 -0.000 0.000 0.209 146 K C 1.921 178.520 176.600 -0.000 0.000 1.048 146 K CA 1.845 58.123 56.287 -0.016 0.000 0.926 146 K CB -1.018 31.483 32.500 0.002 0.000 0.713 146 K HN 0.339 nan 8.250 nan 0.000 0.444 147 A N 0.850 123.687 122.820 0.027 0.000 1.898 147 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 147 A C 2.216 179.849 177.584 0.082 0.000 1.181 147 A CA 1.729 53.802 52.037 0.059 0.000 0.620 147 A CB -0.914 18.133 19.000 0.078 0.000 0.819 147 A HN 0.602 nan 8.150 nan 0.000 0.442 148 N N 0.141 118.870 118.700 0.047 0.000 2.069 148 N HA -0.146 4.593 4.740 -0.000 0.000 0.191 148 N C 1.741 177.273 175.510 0.037 0.000 1.031 148 N CA 1.660 54.721 53.050 0.019 0.000 0.852 148 N CB -0.191 38.090 38.487 -0.343 0.000 1.018 148 N HN 0.510 nan 8.380 nan 0.000 0.423 149 L N 0.403 121.602 121.223 -0.040 0.000 2.201 149 L HA -0.096 4.244 4.340 -0.000 0.000 0.212 149 L C 2.512 179.385 176.870 0.006 0.000 1.105 149 L CA 0.492 55.318 54.840 -0.024 0.000 0.775 149 L CB -0.280 41.746 42.059 -0.055 0.000 0.913 149 L HN 0.243 nan 8.230 nan 0.000 0.440 150 M N -0.926 118.691 119.600 0.028 0.000 2.132 150 M HA -0.183 4.296 4.480 -0.000 0.000 0.263 150 M C 2.364 178.679 176.300 0.025 0.000 1.065 150 M CA 1.659 56.972 55.300 0.021 0.000 1.122 150 M CB -1.082 31.536 32.600 0.029 0.000 1.365 150 M HN 0.176 nan 8.290 nan 0.000 0.411 151 F N 2.278 122.200 119.950 -0.047 0.000 2.069 151 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 151 F C 2.334 178.089 175.800 -0.074 0.000 1.113 151 F CA 1.787 59.748 58.000 -0.065 0.000 1.214 151 F CB -0.231 38.740 39.000 -0.050 0.000 0.978 151 F HN 0.153 nan 8.300 nan 0.000 0.474 152 E N 0.120 120.299 120.200 -0.035 0.000 2.085 152 E HA -0.175 4.174 4.350 -0.000 0.000 0.194 152 E C 2.360 178.859 176.600 -0.168 0.000 0.994 152 E CA 1.336 57.672 56.400 -0.107 0.000 0.801 152 E CB -1.059 28.654 29.700 0.020 0.000 0.743 152 E HN 0.537 nan 8.360 nan 0.000 0.453 153 G N -0.176 108.554 108.800 -0.117 0.000 2.920 153 G HA2 0.116 4.075 3.960 -0.000 0.000 0.208 153 G HA3 0.116 4.075 3.960 -0.000 0.000 0.208 153 G C 1.047 175.872 174.900 -0.124 0.000 1.159 153 G CA 0.374 45.417 45.100 -0.095 0.000 0.784 153 G HN 0.386 nan 8.290 nan 0.000 0.535 154 G N 0.174 108.847 108.800 -0.211 0.000 2.273 154 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.280 154 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.280 154 G C 0.226 175.058 174.900 -0.113 0.000 1.047 154 G CA 0.348 45.323 45.100 -0.208 0.000 0.869 154 G HN 0.563 nan 8.290 nan 0.000 0.502 155 K N 0.428 120.779 120.400 -0.082 0.000 2.159 155 K HA 0.272 4.592 4.320 -0.000 0.000 0.266 155 K C 0.318 176.903 176.600 -0.025 0.000 0.975 155 K CA -0.893 55.368 56.287 -0.043 0.000 0.865 155 K CB 0.954 33.436 32.500 -0.030 0.000 1.087 155 K HN 0.196 nan 8.250 nan 0.000 0.446 156 N N 2.853 121.543 118.700 -0.016 0.000 2.479 156 N HA 0.135 4.875 4.740 -0.000 0.000 0.257 156 N C -0.239 175.274 175.510 0.004 0.000 1.232 156 N CA 0.607 53.655 53.050 -0.003 0.000 0.920 156 N CB 0.655 39.141 38.487 -0.000 0.000 1.105 156 N HN 0.324 nan 8.380 nan 0.000 0.444 157 M N 0.609 120.216 119.600 0.011 0.000 2.501 157 M HA 0.204 4.684 4.480 -0.000 0.000 0.293 157 M C -0.603 175.702 176.300 0.007 0.000 1.192 157 M CA -0.713 54.593 55.300 0.010 0.000 0.886 157 M CB 2.336 34.944 32.600 0.014 0.000 1.710 157 M HN 0.242 nan 8.290 nan 0.000 0.457 158 T N 2.771 117.324 114.554 -0.002 0.000 2.749 158 T HA 0.396 4.745 4.350 -0.000 0.000 0.295 158 T C -2.434 172.236 174.700 -0.049 0.000 0.936 158 T CA -1.093 61.000 62.100 -0.012 0.000 1.060 158 T CB 0.128 68.987 68.868 -0.015 0.000 0.904 158 T HN 0.290 nan 8.240 nan 0.000 0.500 159 P HA 0.307 nan 4.420 nan 0.000 0.271 159 P C -0.801 176.312 177.300 -0.313 0.000 1.216 159 P CA -0.555 62.418 63.100 -0.212 0.000 0.776 159 P CB 0.581 32.137 31.700 -0.240 0.000 0.881 160 V N 3.442 123.124 119.914 -0.385 0.000 2.588 160 V HA 0.544 4.663 4.120 -0.000 0.000 0.304 160 V C -1.602 174.260 176.094 -0.387 0.000 1.042 160 V CA -0.736 61.337 62.300 -0.378 0.000 0.877 160 V CB 0.945 32.501 31.823 -0.444 0.000 0.996 160 V HN 0.303 nan 8.190 nan 0.000 0.425 161 Y N 2.356 122.666 120.300 0.016 0.000 2.387 161 Y HA 0.686 5.236 4.550 -0.000 0.000 0.330 161 Y C 0.943 176.836 175.900 -0.013 0.000 1.133 161 Y CA -0.654 57.485 58.100 0.064 0.000 1.152 161 Y CB 2.064 40.631 38.460 0.178 0.000 1.215 161 Y HN 0.657 nan 8.280 nan 0.000 0.466 162 T N 2.185 116.857 114.554 0.197 0.000 2.801 162 T HA 0.346 4.696 4.350 -0.000 0.000 0.306 162 T C 0.426 175.150 174.700 0.040 0.000 1.020 162 T CA -0.872 61.301 62.100 0.121 0.000 0.948 162 T CB 0.335 69.341 68.868 0.230 0.000 0.962 162 T HN 0.954 nan 8.240 nan 0.000 0.465 163 G N 2.395 111.143 108.800 -0.086 0.000 2.254 163 G HA2 0.477 4.437 3.960 -0.000 0.000 0.253 163 G HA3 0.477 4.437 3.960 -0.000 0.000 0.253 163 G C -0.027 174.843 174.900 -0.051 0.000 1.246 163 G CA -0.328 44.682 45.100 -0.150 0.000 0.946 163 G HN 0.937 nan 8.290 nan 0.000 0.474 164 A N 2.484 125.299 122.820 -0.008 0.000 2.437 164 A HA 0.874 5.194 4.320 -0.000 0.000 0.292 164 A C -0.626 176.981 177.584 0.039 0.000 1.173 164 A CA -0.782 51.270 52.037 0.025 0.000 0.785 164 A CB 1.421 20.456 19.000 0.058 0.000 1.351 164 A HN 0.677 nan 8.150 nan 0.000 0.431 165 L N 0.754 122.004 121.223 0.045 0.000 2.362 165 L HA 0.459 4.799 4.340 -0.000 0.000 0.275 165 L C 0.008 176.918 176.870 0.067 0.000 0.998 165 L CA -0.656 54.218 54.840 0.057 0.000 0.820 165 L CB 2.040 44.128 42.059 0.048 0.000 1.270 165 L HN 0.823 nan 8.230 nan 0.000 0.415 166 K N 1.992 122.441 120.400 0.082 0.000 2.349 166 K HA 0.048 4.368 4.320 -0.000 0.000 0.288 166 K C -0.449 176.207 176.600 0.092 0.000 1.058 166 K CA -0.430 55.912 56.287 0.092 0.000 0.953 166 K CB 0.640 33.202 32.500 0.103 0.000 0.997 166 K HN 0.401 nan 8.250 nan 0.000 0.477 167 D N 5.091 125.557 120.400 0.109 0.000 2.359 167 D HA 0.015 4.655 4.640 -0.000 0.000 0.250 167 D C -0.830 175.638 176.300 0.280 0.000 1.264 167 D CA 0.142 54.235 54.000 0.155 0.000 0.911 167 D CB 0.302 41.179 40.800 0.127 0.000 1.056 167 D HN 0.608 nan 8.370 nan 0.000 0.499 168 E N 2.203 122.532 120.200 0.215 0.000 2.445 168 E HA 0.357 4.707 4.350 -0.000 0.000 0.279 168 E C -0.889 175.596 176.600 -0.191 0.000 1.018 168 E CA -1.047 55.447 56.400 0.156 0.000 0.816 168 E CB 0.648 30.413 29.700 0.109 0.000 1.356 168 E HN 0.178 nan 8.360 nan 0.000 0.462 169 L N 1.649 122.621 121.223 -0.419 0.000 2.367 169 L HA 0.439 4.779 4.340 -0.000 0.000 0.275 169 L C -0.089 176.684 176.870 -0.162 0.000 1.129 169 L CA -0.591 53.976 54.840 -0.456 0.000 0.839 169 L CB 0.938 42.692 42.059 -0.509 0.000 1.133 169 L HN 0.499 nan 8.230 nan 0.000 0.453 170 V N 0.557 120.282 119.914 -0.316 0.000 3.049 170 V HA 0.475 4.595 4.120 -0.000 0.000 0.309 170 V C -0.483 175.058 176.094 -0.921 0.000 1.148 170 V CA -1.395 60.575 62.300 -0.549 0.000 0.990 170 V CB 1.757 33.400 31.823 -0.299 0.000 1.039 170 V HN 0.778 nan 8.190 nan 0.000 0.430 171 K N 0.496 120.111 120.400 -1.308 0.000 2.469 171 K HA 0.155 4.475 4.320 -0.000 0.000 0.274 171 K C 1.121 177.544 176.600 -0.295 0.000 0.983 171 K CA 0.553 56.343 56.287 -0.829 0.000 0.974 171 K CB 0.520 32.747 32.500 -0.455 0.000 0.913 171 K HN 1.024 nan 8.250 nan 0.000 0.493 172 T N -1.817 112.697 114.554 -0.065 0.000 2.915 172 T HA -0.176 4.174 4.350 -0.000 0.000 0.269 172 T C 1.354 176.151 174.700 0.162 0.000 1.071 172 T CA 1.396 63.580 62.100 0.140 0.000 1.132 172 T CB -0.283 68.717 68.868 0.220 0.000 0.878 172 T HN 0.731 nan 8.240 nan 0.000 0.479 173 D N 1.587 122.017 120.400 0.050 0.000 2.182 173 D HA -0.045 4.595 4.640 -0.000 0.000 0.201 173 D C 1.973 178.259 176.300 -0.022 0.000 0.986 173 D CA 0.897 54.917 54.000 0.033 0.000 0.847 173 D CB -0.176 40.625 40.800 0.002 0.000 0.942 173 D HN 0.473 nan 8.370 nan 0.000 0.467 174 K N -0.676 119.680 120.400 -0.073 0.000 2.525 174 K HA 0.075 4.394 4.320 -0.000 0.000 0.192 174 K C 1.297 177.806 176.600 -0.153 0.000 1.029 174 K CA 0.329 56.550 56.287 -0.110 0.000 1.029 174 K CB 0.522 32.949 32.500 -0.122 0.000 0.814 174 K HN 0.318 nan 8.250 nan 0.000 0.503 175 I N -2.016 118.441 120.570 -0.188 0.000 3.812 175 I HA -0.051 4.119 4.170 -0.000 0.000 0.292 175 I C 1.000 176.821 176.117 -0.493 0.000 1.206 175 I CA 0.220 61.294 61.300 -0.376 0.000 1.370 175 I CB 0.267 37.927 38.000 -0.567 0.000 1.328 175 I HN -0.017 nan 8.210 nan 0.000 0.453 176 Y N 1.046 121.313 120.300 -0.055 0.000 2.478 176 Y HA 0.375 4.925 4.550 -0.001 0.000 0.261 176 Y C 1.693 177.558 175.900 -0.058 0.000 1.127 176 Y CA 0.256 58.329 58.100 -0.044 0.000 1.288 176 Y CB 0.054 38.500 38.460 -0.022 0.000 1.084 176 Y HN 0.038 nan 8.280 nan 0.000 0.530 177 G N -0.243 108.579 108.800 0.037 0.000 3.414 177 G HA2 0.162 4.122 3.960 -0.000 0.000 0.196 177 G HA3 0.162 4.122 3.960 -0.000 0.000 0.196 177 G C -0.727 174.133 174.900 -0.066 0.000 1.486 177 G CA -0.607 44.490 45.100 -0.006 0.000 0.811 177 G HN -0.132 nan 8.290 nan 0.000 0.704 178 K N 1.480 121.845 120.400 -0.059 0.000 2.245 178 K HA 0.195 4.515 4.320 -0.000 0.000 0.281 178 K C 0.063 176.599 176.600 -0.107 0.000 1.079 178 K CA -0.090 56.151 56.287 -0.076 0.000 1.000 178 K CB -1.229 31.241 32.500 -0.050 0.000 1.038 178 K HN 0.212 nan 8.250 nan 0.000 0.430 179 I N 5.082 125.550 120.570 -0.169 0.000 2.598 179 I HA 0.001 4.171 4.170 -0.000 0.000 0.284 179 I C 0.456 176.490 176.117 -0.139 0.000 1.140 179 I CA 0.427 61.591 61.300 -0.226 0.000 1.420 179 I CB 0.412 38.135 38.000 -0.462 0.000 1.387 179 I HN 0.470 nan 8.210 nan 0.000 0.553 180 K N 6.537 126.881 120.400 -0.093 0.000 2.426 180 K HA 0.662 4.982 4.320 -0.000 0.000 0.251 180 K C -1.006 175.590 176.600 -0.007 0.000 0.941 180 K CA -1.106 55.158 56.287 -0.039 0.000 0.808 180 K CB 2.896 35.378 32.500 -0.030 0.000 1.265 180 K HN 0.373 nan 8.250 nan 0.000 0.432 181 K N 1.387 121.804 120.400 0.028 0.000 2.523 181 K HA 0.260 4.580 4.320 -0.000 0.000 0.257 181 K C -1.330 175.310 176.600 0.067 0.000 0.932 181 K CA -0.814 55.502 56.287 0.048 0.000 0.812 181 K CB 2.510 35.054 32.500 0.073 0.000 1.326 181 K HN 0.497 nan 8.250 nan 0.000 0.433 182 R N 2.984 123.529 120.500 0.074 0.000 2.438 182 R HA 0.160 4.500 4.340 -0.000 0.000 0.287 182 R C -0.694 175.680 176.300 0.122 0.000 1.077 182 R CA -0.469 55.694 56.100 0.105 0.000 1.034 182 R CB 0.450 30.813 30.300 0.105 0.000 0.993 182 R HN 0.428 nan 8.270 nan 0.000 0.459 183 L N 6.344 127.664 121.223 0.162 0.000 2.260 183 L HA 0.312 4.651 4.340 -0.000 0.000 0.289 183 L C -1.159 175.857 176.870 0.243 0.000 1.057 183 L CA 0.049 54.986 54.840 0.162 0.000 0.811 183 L CB 0.797 42.952 42.059 0.159 0.000 1.184 183 L HN 0.525 nan 8.230 nan 0.000 0.429 184 L N 4.576 125.916 121.223 0.195 0.000 2.343 184 L HA 0.362 4.702 4.340 -0.000 0.000 0.275 184 L C -1.010 176.040 176.870 0.300 0.000 1.056 184 L CA -0.440 54.558 54.840 0.262 0.000 0.804 184 L CB 1.009 43.176 42.059 0.180 0.000 1.203 184 L HN 0.609 nan 8.230 nan 0.000 0.440 185 W N 1.651 122.952 121.300 0.002 0.000 2.298 185 W HA 0.465 5.125 4.660 -0.000 0.000 0.327 185 W C 0.585 177.186 176.519 0.137 0.000 0.988 185 W CA -1.196 56.154 57.345 0.008 0.000 1.448 185 W CB 0.946 30.287 29.460 -0.198 0.000 1.243 185 W HN 0.469 nan 8.180 nan 0.000 0.388 186 G N 2.537 111.533 108.800 0.326 0.000 2.356 186 G HA2 0.332 4.291 3.960 -0.000 0.000 0.273 186 G HA3 0.332 4.291 3.960 -0.000 0.000 0.273 186 G C 0.397 175.504 174.900 0.345 0.000 1.213 186 G CA -0.359 44.910 45.100 0.282 0.000 0.955 186 G HN 0.364 nan 8.290 nan 0.000 0.454 187 S N 2.225 118.130 115.700 0.342 0.000 2.603 187 S HA 0.331 4.800 4.470 -0.000 0.000 0.268 187 S C 0.230 174.886 174.600 0.093 0.000 1.317 187 S CA -0.741 57.611 58.200 0.254 0.000 1.012 187 S CB 1.393 64.764 63.200 0.284 0.000 0.926 187 S HN 0.734 nan 8.310 nan 0.000 0.539 188 D N 0.987 121.381 120.400 -0.011 0.000 2.283 188 D HA 0.080 4.720 4.640 -0.000 0.000 0.248 188 D C 1.148 177.437 176.300 -0.017 0.000 1.072 188 D CA -0.771 53.212 54.000 -0.028 0.000 0.929 188 D CB 1.107 41.883 40.800 -0.040 0.000 1.182 188 D HN 0.428 nan 8.370 nan 0.000 0.433 189 L N 2.532 123.731 121.223 -0.041 0.000 2.081 189 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 189 L C 2.447 179.307 176.870 -0.017 0.000 1.080 189 L CA 2.391 57.202 54.840 -0.048 0.000 0.754 189 L CB -0.867 41.108 42.059 -0.139 0.000 0.893 189 L HN 0.692 nan 8.230 nan 0.000 0.433 190 A N -1.849 120.961 122.820 -0.017 0.000 1.908 190 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 190 A C 2.279 179.880 177.584 0.028 0.000 1.181 190 A CA 2.386 54.430 52.037 0.013 0.000 0.627 190 A CB -1.167 17.835 19.000 0.004 0.000 0.818 190 A HN 0.504 nan 8.150 nan 0.000 0.445 191 T N 0.017 114.579 114.554 0.013 0.000 2.777 191 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 191 T C 1.949 176.687 174.700 0.064 0.000 1.040 191 T CA 1.718 63.836 62.100 0.031 0.000 1.141 191 T CB -0.331 68.537 68.868 0.000 0.000 0.868 191 T HN 0.440 nan 8.240 nan 0.000 0.444 192 M N 0.546 120.188 119.600 0.070 0.000 2.073 192 M HA -0.107 4.373 4.480 -0.000 0.000 0.258 192 M C 2.173 178.522 176.300 0.083 0.000 1.070 192 M CA 1.640 56.993 55.300 0.089 0.000 1.103 192 M CB -0.536 32.118 32.600 0.090 0.000 1.321 192 M HN 0.156 nan 8.290 nan 0.000 0.405 193 I N -0.010 120.610 120.570 0.084 0.000 2.179 193 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 193 I C 2.435 178.560 176.117 0.014 0.000 1.088 193 I CA 1.739 63.101 61.300 0.104 0.000 1.357 193 I CB -1.152 36.953 38.000 0.175 0.000 1.051 193 I HN 0.362 nan 8.210 nan 0.000 0.409 194 R N -0.295 120.206 120.500 0.001 0.000 2.115 194 R HA -0.110 4.229 4.340 -0.000 0.000 0.230 194 R C 2.425 178.623 176.300 -0.169 0.000 1.111 194 R CA 1.328 57.383 56.100 -0.075 0.000 0.976 194 R CB -0.420 29.912 30.300 0.053 0.000 0.870 194 R HN 0.374 nan 8.270 nan 0.000 0.445 195 C N 0.117 119.387 119.300 -0.050 0.000 2.440 195 C HA -0.006 4.454 4.460 -0.000 0.000 0.278 195 C C 2.894 177.821 174.990 -0.104 0.000 1.295 195 C CA 0.722 59.737 59.018 -0.004 0.000 1.738 195 C CB -0.818 27.003 27.740 0.136 0.000 1.987 195 C HN 0.557 nan 8.230 nan 0.000 0.492 196 A N 0.582 123.347 122.820 -0.092 0.000 1.929 196 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 196 A C 2.288 179.728 177.584 -0.239 0.000 1.176 196 A CA 1.124 53.096 52.037 -0.108 0.000 0.628 196 A CB -0.362 18.752 19.000 0.189 0.000 0.816 196 A HN 0.531 nan 8.150 nan 0.000 0.444 197 R N -0.242 120.042 120.500 -0.361 0.000 2.066 197 R HA -0.026 4.314 4.340 -0.000 0.000 0.232 197 R C 2.465 178.310 176.300 -0.759 0.000 1.131 197 R CA 1.390 57.111 56.100 -0.632 0.000 0.955 197 R CB -1.104 28.399 30.300 -1.328 0.000 0.851 197 R HN 0.507 nan 8.270 nan 0.000 0.432 198 A N 0.481 122.787 122.820 -0.856 0.000 1.858 198 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 198 A C 1.395 178.539 177.584 -0.733 0.000 1.190 198 A CA 1.397 52.998 52.037 -0.726 0.000 0.617 198 A CB -0.306 18.043 19.000 -1.085 0.000 0.827 198 A HN 0.273 nan 8.150 nan 0.000 0.443 199 F N -1.148 118.647 119.950 -0.259 0.000 2.706 199 F HA 0.299 4.826 4.527 -0.000 0.000 0.313 199 F C 2.171 177.678 175.800 -0.488 0.000 1.096 199 F CA -0.471 57.366 58.000 -0.272 0.000 1.219 199 F CB -0.614 38.273 39.000 -0.189 0.000 1.051 199 F HN 0.212 nan 8.300 nan 0.000 0.568 200 G N 0.916 109.256 108.800 -0.766 0.000 2.514 200 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.217 200 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.217 200 G C 2.037 176.114 174.900 -1.371 0.000 1.198 200 G CA 1.137 45.148 45.100 -1.815 0.000 0.780 200 G HN 0.462 nan 8.290 nan 0.000 0.565 201 G N 0.551 108.744 108.800 -1.012 0.000 2.418 201 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.217 201 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.217 201 G C 1.765 176.636 174.900 -0.050 0.000 1.158 201 G CA 1.093 46.069 45.100 -0.206 0.000 0.771 201 G HN 0.429 nan 8.290 nan 0.000 0.545 202 L N 0.473 121.660 121.223 -0.060 0.000 2.017 202 L HA 0.044 4.384 4.340 -0.000 0.000 0.208 202 L C 2.852 179.725 176.870 0.005 0.000 1.073 202 L CA 1.801 56.659 54.840 0.030 0.000 0.745 202 L CB -0.480 41.642 42.059 0.106 0.000 0.894 202 L HN 0.260 nan 8.230 nan 0.000 0.432 203 M N -0.715 118.851 119.600 -0.057 0.000 2.108 203 M HA -0.239 4.241 4.480 -0.000 0.000 0.261 203 M C 1.846 178.158 176.300 0.019 0.000 1.066 203 M CA 1.949 57.228 55.300 -0.036 0.000 1.107 203 M CB -0.608 31.944 32.600 -0.080 0.000 1.356 203 M HN 0.248 nan 8.290 nan 0.000 0.406 204 D N 0.001 120.432 120.400 0.051 0.000 2.097 204 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 204 D C 1.901 178.262 176.300 0.102 0.000 0.989 204 D CA 1.296 55.370 54.000 0.122 0.000 0.827 204 D CB -0.290 40.643 40.800 0.222 0.000 0.966 204 D HN 0.277 nan 8.370 nan 0.000 0.456 205 E N 0.465 120.730 120.200 0.109 0.000 2.077 205 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 205 E C 2.225 178.935 176.600 0.183 0.000 0.989 205 E CA 0.642 57.131 56.400 0.149 0.000 0.800 205 E CB -0.329 29.451 29.700 0.133 0.000 0.746 205 E HN 0.254 nan 8.360 nan 0.000 0.452 206 L N 0.147 121.433 121.223 0.104 0.000 2.017 206 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 206 L C 2.505 179.421 176.870 0.077 0.000 1.073 206 L CA 1.607 56.499 54.840 0.086 0.000 0.745 206 L CB -0.448 41.636 42.059 0.040 0.000 0.894 206 L HN 0.107 nan 8.230 nan 0.000 0.432 207 K N 0.097 120.525 120.400 0.046 0.000 2.097 207 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 207 K C 2.141 178.733 176.600 -0.013 0.000 1.049 207 K CA 1.298 57.598 56.287 0.021 0.000 0.933 207 K CB -0.241 32.277 32.500 0.030 0.000 0.717 207 K HN 0.283 nan 8.250 nan 0.000 0.442 208 A N 0.846 123.643 122.820 -0.039 0.000 2.070 208 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 208 A C 1.021 178.372 177.584 -0.389 0.000 1.159 208 A CA 1.203 53.120 52.037 -0.199 0.000 0.656 208 A CB -0.311 18.547 19.000 -0.236 0.000 0.800 208 A HN 0.318 nan 8.150 nan 0.000 0.453 209 H N -1.347 117.717 119.070 -0.010 0.000 2.510 209 H HA 0.071 4.627 4.556 -0.001 0.000 0.266 209 H C 1.585 176.888 175.328 -0.042 0.000 1.146 209 H CA 0.361 56.394 56.048 -0.024 0.000 0.993 209 H CB -0.275 29.474 29.762 -0.022 0.000 1.727 209 H HN 0.725 nan 8.280 nan 0.000 0.590 210 C N -1.221 118.089 119.300 0.016 0.000 2.422 210 C HA 0.008 4.468 4.460 -0.000 0.000 0.286 210 C C 2.254 177.214 174.990 -0.050 0.000 1.412 210 C CA -0.138 58.873 59.018 -0.013 0.000 1.786 210 C CB -1.437 26.298 27.740 -0.008 0.000 1.835 210 C HN 0.204 nan 8.230 nan 0.000 0.533 211 V N 1.330 121.211 119.914 -0.054 0.000 2.407 211 V HA -0.108 4.012 4.120 -0.000 0.000 0.245 211 V C 2.870 178.907 176.094 -0.095 0.000 1.041 211 V CA 2.541 64.789 62.300 -0.087 0.000 1.040 211 V CB -0.870 30.903 31.823 -0.083 0.000 0.671 211 V HN 0.609 nan 8.190 nan 0.000 0.455 212 T N 0.019 114.546 114.554 -0.045 0.000 2.896 212 T HA 0.100 4.450 4.350 -0.000 0.000 0.263 212 T C 0.581 175.222 174.700 -0.098 0.000 1.050 212 T CA 0.601 62.672 62.100 -0.049 0.000 1.140 212 T CB -0.078 68.805 68.868 0.024 0.000 0.877 212 T HN -0.032 nan 8.240 nan 0.000 0.457 213 L N 1.477 122.647 121.223 -0.088 0.000 2.357 213 L HA 0.357 4.696 4.340 -0.000 0.000 0.273 213 L C -1.655 175.043 176.870 -0.287 0.000 1.080 213 L CA -2.553 52.194 54.840 -0.155 0.000 0.803 213 L CB 1.093 43.118 42.059 -0.056 0.000 1.174 213 L HN -0.129 nan 8.230 nan 0.000 0.443 214 P HA -0.009 nan 4.420 nan 0.000 0.225 214 P C 0.270 177.385 177.300 -0.309 0.000 1.148 214 P CA 0.946 63.704 63.100 -0.570 0.000 0.779 214 P CB 0.128 31.279 31.700 -0.916 0.000 0.780 215 I N 0.707 121.158 120.570 -0.199 0.000 2.483 215 I HA 0.052 4.222 4.170 -0.000 0.000 0.291 215 I C 1.440 177.538 176.117 -0.033 0.000 1.112 215 I CA -0.060 61.223 61.300 -0.028 0.000 1.350 215 I CB 0.434 38.453 38.000 0.032 0.000 1.419 215 I HN -0.212 nan 8.210 nan 0.000 0.523 216 R N 4.560 125.078 120.500 0.030 0.000 2.334 216 R HA 0.132 4.471 4.340 -0.000 0.000 0.216 216 R C 0.303 176.661 176.300 0.097 0.000 0.905 216 R CA -0.119 56.049 56.100 0.114 0.000 1.064 216 R CB -0.260 30.251 30.300 0.351 0.000 1.046 216 R HN 0.538 nan 8.270 nan 0.000 0.508 217 V N 0.555 120.366 119.914 -0.172 0.000 2.540 217 V HA 0.325 4.444 4.120 -0.000 0.000 0.297 217 V C 1.117 177.194 176.094 -0.029 0.000 1.024 217 V CA 1.481 63.601 62.300 -0.299 0.000 1.105 217 V CB 0.475 31.887 31.823 -0.685 0.000 0.938 217 V HN 0.712 nan 8.190 nan 0.000 0.482 218 G N 4.347 113.197 108.800 0.082 0.000 2.232 218 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.226 218 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.226 218 G C 0.242 175.179 174.900 0.062 0.000 0.996 218 G CA 0.156 45.297 45.100 0.068 0.000 0.626 218 G HN 1.713 nan 8.290 nan 0.000 0.509 219 M N 1.209 120.858 119.600 0.082 0.000 2.248 219 M HA 0.565 5.044 4.480 -0.000 0.000 0.337 219 M C 0.244 176.538 176.300 -0.011 0.000 1.121 219 M CA 0.403 55.717 55.300 0.024 0.000 1.155 219 M CB 0.197 32.813 32.600 0.028 0.000 1.514 219 M HN 0.437 nan 8.290 nan 0.000 0.452 220 N N 2.710 121.371 118.700 -0.065 0.000 2.483 220 N HA 0.478 5.217 4.740 -0.000 0.000 0.285 220 N C -0.292 175.088 175.510 -0.217 0.000 1.210 220 N CA -0.908 52.072 53.050 -0.117 0.000 0.931 220 N CB 1.087 39.525 38.487 -0.082 0.000 1.220 220 N HN 0.859 nan 8.380 nan 0.000 0.542 221 M N 0.188 119.561 119.600 -0.379 0.000 2.516 221 M HA 0.206 4.686 4.480 -0.000 0.000 0.259 221 M C 0.864 176.880 176.300 -0.474 0.000 1.146 221 M CA 0.729 55.682 55.300 -0.577 0.000 1.122 221 M CB -0.684 31.227 32.600 -1.149 0.000 1.341 221 M HN 0.828 nan 8.290 nan 0.000 0.478 222 N N -0.854 117.667 118.700 -0.299 0.000 2.354 222 N HA -0.121 4.618 4.740 -0.000 0.000 0.179 222 N C 1.600 177.055 175.510 -0.092 0.000 1.021 222 N CA 1.415 54.409 53.050 -0.093 0.000 0.887 222 N CB -0.046 38.439 38.487 -0.003 0.000 0.974 222 N HN 0.547 nan 8.380 nan 0.000 0.437 223 E N -0.546 119.589 120.200 -0.109 0.000 2.629 223 E HA -0.001 4.349 4.350 -0.000 0.000 0.197 223 E C 0.672 177.201 176.600 -0.117 0.000 0.955 223 E CA 0.065 56.413 56.400 -0.086 0.000 1.191 223 E CB 0.129 29.792 29.700 -0.062 0.000 1.175 223 E HN 0.121 nan 8.360 nan 0.000 0.501 224 D N 0.787 121.100 120.400 -0.144 0.000 2.097 224 D HA -0.088 4.552 4.640 -0.000 0.000 0.197 224 D C 1.818 177.944 176.300 -0.290 0.000 0.984 224 D CA 1.372 55.267 54.000 -0.176 0.000 0.826 224 D CB -0.760 39.951 40.800 -0.149 0.000 0.973 224 D HN 0.351 nan 8.370 nan 0.000 0.460 225 G N 2.030 110.610 108.800 -0.367 0.000 2.586 225 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.218 225 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.218 225 G C -0.743 173.699 174.900 -0.763 0.000 1.216 225 G CA 1.017 45.689 45.100 -0.712 0.000 0.786 225 G HN 0.304 nan 8.290 nan 0.000 0.583 226 P HA -0.045 nan 4.420 nan 0.000 0.216 226 P C 1.912 179.197 177.300 -0.025 0.000 1.150 226 P CA 0.819 63.926 63.100 0.011 0.000 0.837 226 P CB -0.059 31.683 31.700 0.070 0.000 0.786 227 I N -1.404 119.095 120.570 -0.118 0.000 2.163 227 I HA -0.212 3.958 4.170 -0.000 0.000 0.240 227 I C 2.264 178.289 176.117 -0.154 0.000 1.081 227 I CA 1.431 62.673 61.300 -0.098 0.000 1.353 227 I CB -0.569 37.371 38.000 -0.100 0.000 1.054 227 I HN -0.133 nan 8.210 nan 0.000 0.407 228 I N 0.213 120.619 120.570 -0.273 0.000 2.226 228 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 228 I C 2.332 178.362 176.117 -0.145 0.000 1.100 228 I CA 1.491 62.623 61.300 -0.279 0.000 1.374 228 I CB -0.338 37.434 38.000 -0.381 0.000 1.057 228 I HN 0.071 nan 8.210 nan 0.000 0.413 229 F N 0.630 120.504 119.950 -0.125 0.000 2.146 229 F HA -0.162 4.365 4.527 -0.001 0.000 0.298 229 F C 2.610 178.045 175.800 -0.608 0.000 1.096 229 F CA 1.027 58.850 58.000 -0.295 0.000 1.275 229 F CB -1.080 37.828 39.000 -0.154 0.000 1.008 229 F HN 0.110 nan 8.300 nan 0.000 0.480 230 E N 1.094 121.146 120.200 -0.246 0.000 2.110 230 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 230 E C 2.274 178.755 176.600 -0.199 0.000 0.988 230 E CA 0.949 57.176 56.400 -0.288 0.000 0.804 230 E CB 0.030 29.781 29.700 0.085 0.000 0.745 230 E HN 0.379 nan 8.360 nan 0.000 0.458 231 R N -0.386 120.030 120.500 -0.140 0.000 2.066 231 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 231 R C 2.390 178.653 176.300 -0.061 0.000 1.131 231 R CA 0.923 56.961 56.100 -0.104 0.000 0.955 231 R CB -0.947 29.275 30.300 -0.130 0.000 0.851 231 R HN 0.372 nan 8.270 nan 0.000 0.432 232 H N 1.536 120.521 119.070 -0.141 0.000 2.321 232 H HA -0.113 4.443 4.556 -0.001 0.000 0.295 232 H C 2.309 177.636 175.328 -0.001 0.000 1.102 232 H CA 2.276 58.260 56.048 -0.107 0.000 1.266 232 H CB -0.144 29.463 29.762 -0.258 0.000 1.363 232 H HN 0.305 nan 8.280 nan 0.000 0.492 233 S N 0.782 116.367 115.700 -0.192 0.000 2.547 233 S HA -0.059 4.411 4.470 -0.000 0.000 0.235 233 S C 1.910 176.518 174.600 0.014 0.000 0.980 233 S CA 0.467 58.532 58.200 -0.225 0.000 0.941 233 S CB -0.130 62.720 63.200 -0.584 0.000 0.763 233 S HN 0.335 nan 8.310 nan 0.000 0.532 234 R N -0.699 119.793 120.500 -0.013 0.000 2.236 234 R HA 0.186 4.525 4.340 -0.000 0.000 0.208 234 R C -0.215 175.907 176.300 -0.297 0.000 1.036 234 R CA 0.423 56.429 56.100 -0.157 0.000 1.001 234 R CB -0.082 30.052 30.300 -0.276 0.000 0.896 234 R HN 0.476 nan 8.270 nan 0.000 0.464 235 Y N 0.364 120.634 120.300 -0.050 0.000 2.316 235 Y HA 0.080 4.630 4.550 0.000 0.000 0.324 235 Y C 1.517 177.289 175.900 -0.212 0.000 1.267 235 Y CA -0.328 57.698 58.100 -0.124 0.000 1.311 235 Y CB 0.906 39.279 38.460 -0.145 0.000 1.267 235 Y HN -0.289 nan 8.280 nan 0.000 0.516 236 K N 0.489 120.766 120.400 -0.205 0.000 2.031 236 K HA -0.025 4.294 4.320 -0.000 0.000 0.205 236 K C -0.858 175.329 176.600 -0.688 0.000 1.049 236 K CA 1.228 57.200 56.287 -0.525 0.000 0.939 236 K CB 0.088 32.061 32.500 -0.877 0.000 0.717 236 K HN 0.579 nan 8.250 nan 0.000 0.438 237 Y N -0.037 120.048 120.300 -0.358 0.000 2.446 237 Y HA 0.396 4.947 4.550 0.000 0.000 0.345 237 Y C -0.476 175.043 175.900 -0.634 0.000 0.984 237 Y CA -1.133 56.757 58.100 -0.350 0.000 1.058 237 Y CB 1.765 40.181 38.460 -0.073 0.000 1.220 237 Y HN 0.012 nan 8.280 nan 0.000 0.455 238 H N 2.341 121.558 119.070 0.245 0.000 2.771 238 H HA 0.400 4.955 4.556 -0.001 0.000 0.361 238 H C -1.589 173.835 175.328 0.160 0.000 1.108 238 H CA -0.945 55.160 56.048 0.095 0.000 1.201 238 H CB 2.405 32.172 29.762 0.010 0.000 1.681 238 H HN 0.770 nan 8.280 nan 0.000 0.534 239 Y N -0.014 120.373 120.300 0.144 0.000 2.562 239 Y HA 0.326 4.875 4.550 -0.001 0.000 0.345 239 Y C -0.440 175.492 175.900 0.053 0.000 1.045 239 Y CA -1.205 56.946 58.100 0.084 0.000 1.028 239 Y CB 1.472 39.973 38.460 0.068 0.000 1.297 239 Y HN 0.453 nan 8.280 nan 0.000 0.463 240 D N 1.687 122.211 120.400 0.206 0.000 2.513 240 D HA 0.199 4.839 4.640 -0.000 0.000 0.222 240 D C 1.490 177.852 176.300 0.103 0.000 1.210 240 D CA 0.240 54.298 54.000 0.096 0.000 0.825 240 D CB 0.371 41.181 40.800 0.017 0.000 1.037 240 D HN 1.053 nan 8.370 nan 0.000 0.506 241 A N 1.654 124.565 122.820 0.152 0.000 3.303 241 A HA -0.427 3.893 4.320 -0.000 0.000 0.261 241 A C 0.958 178.325 177.584 -0.363 0.000 2.466 241 A CA 2.380 54.343 52.037 -0.123 0.000 1.082 241 A CB -2.011 16.878 19.000 -0.185 0.000 1.289 241 A HN 0.537 nan 8.150 nan 0.000 0.631 242 D N -2.896 117.348 120.400 -0.260 0.000 3.082 242 D HA -0.151 4.489 4.640 -0.000 0.000 0.234 242 D C -0.413 175.793 176.300 -0.156 0.000 1.159 242 D CA 1.153 55.076 54.000 -0.129 0.000 0.875 242 D CB -1.677 39.092 40.800 -0.052 0.000 0.946 242 D HN 0.687 nan 8.370 nan 0.000 0.411 243 Y N 0.692 121.087 120.300 0.159 0.000 2.425 243 Y HA 0.281 4.831 4.550 -0.000 0.000 0.331 243 Y C 1.621 177.607 175.900 0.143 0.000 1.157 243 Y CA -0.267 57.945 58.100 0.187 0.000 1.372 243 Y CB 0.939 39.620 38.460 0.369 0.000 1.253 243 Y HN -0.012 nan 8.280 nan 0.000 0.536 244 S N 3.702 119.541 115.700 0.232 0.000 2.523 244 S HA 0.244 4.714 4.470 -0.000 0.000 0.275 244 S C 0.146 174.834 174.600 0.148 0.000 1.281 244 S CA -0.801 57.489 58.200 0.150 0.000 1.050 244 S CB 0.202 63.451 63.200 0.081 0.000 0.937 244 S HN 0.702 nan 8.310 nan 0.000 0.492 245 R N 1.175 121.750 120.500 0.125 0.000 3.333 245 R HA -0.196 4.144 4.340 -0.000 0.000 0.256 245 R C 0.827 177.155 176.300 0.048 0.000 1.010 245 R CA 0.516 56.655 56.100 0.064 0.000 0.680 245 R CB -1.795 28.492 30.300 -0.021 0.000 1.102 245 R HN 0.858 nan 8.270 nan 0.000 0.440 246 W N 1.659 122.925 121.300 -0.057 0.000 2.302 246 W HA -0.298 4.362 4.660 -0.000 0.000 0.320 246 W C 1.123 177.515 176.519 -0.211 0.000 1.241 246 W CA 2.354 59.618 57.345 -0.136 0.000 1.264 246 W CB -0.219 29.174 29.460 -0.113 0.000 1.154 246 W HN 0.331 nan 8.180 nan 0.000 0.483 247 D N -0.016 120.396 120.400 0.020 0.000 2.104 247 D HA -0.206 4.434 4.640 -0.000 0.000 0.194 247 D C 2.396 178.445 176.300 -0.418 0.000 0.994 247 D CA 2.650 56.575 54.000 -0.125 0.000 0.830 247 D CB -0.947 39.883 40.800 0.051 0.000 0.959 247 D HN 0.222 nan 8.370 nan 0.000 0.452 248 S N -0.254 115.022 115.700 -0.706 0.000 2.507 248 S HA -0.109 4.361 4.470 -0.000 0.000 0.235 248 S C 1.755 175.944 174.600 -0.684 0.000 0.988 248 S CA 1.547 58.960 58.200 -1.310 0.000 0.944 248 S CB -0.590 61.885 63.200 -1.208 0.000 0.762 248 S HN 0.350 nan 8.310 nan 0.000 0.526 249 T N -2.416 111.829 114.554 -0.516 0.000 3.060 249 T HA 0.229 4.579 4.350 -0.000 0.000 0.249 249 T C 0.531 174.945 174.700 -0.477 0.000 1.079 249 T CA -0.413 61.429 62.100 -0.431 0.000 1.013 249 T CB -0.128 68.509 68.868 -0.386 0.000 0.975 249 T HN 0.153 nan 8.240 nan 0.000 0.518 250 Q N 2.055 121.534 119.800 -0.536 0.000 2.364 250 Q HA 0.295 4.635 4.340 -0.000 0.000 0.267 250 Q C -0.268 175.541 176.000 -0.318 0.000 0.999 250 Q CA 0.423 55.921 55.803 -0.509 0.000 0.886 250 Q CB 0.637 29.070 28.738 -0.509 0.000 1.243 250 Q HN 0.602 nan 8.270 nan 0.000 0.415 251 Q N 2.130 121.759 119.800 -0.284 0.000 2.290 251 Q HA 0.245 4.585 4.340 -0.000 0.000 0.259 251 Q C 0.892 176.815 176.000 -0.128 0.000 0.941 251 Q CA -0.651 55.043 55.803 -0.182 0.000 0.912 251 Q CB 1.386 30.012 28.738 -0.187 0.000 1.244 251 Q HN 0.325 nan 8.270 nan 0.000 0.441 252 R N 1.450 121.912 120.500 -0.063 0.000 2.105 252 R HA -0.165 4.175 4.340 -0.000 0.000 0.239 252 R C 1.809 178.113 176.300 0.008 0.000 1.135 252 R CA 1.362 57.464 56.100 0.003 0.000 0.967 252 R CB -0.608 29.716 30.300 0.039 0.000 0.861 252 R HN 0.747 nan 8.270 nan 0.000 0.442 253 A N 0.702 123.504 122.820 -0.029 0.000 1.917 253 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 253 A C 2.429 179.984 177.584 -0.049 0.000 1.182 253 A CA 1.891 53.905 52.037 -0.038 0.000 0.633 253 A CB -0.518 18.446 19.000 -0.060 0.000 0.819 253 A HN 0.137 nan 8.150 nan 0.000 0.448 254 V N -0.247 119.615 119.914 -0.087 0.000 2.591 254 V HA -0.148 3.972 4.120 -0.000 0.000 0.249 254 V C 2.448 178.532 176.094 -0.016 0.000 1.053 254 V CA 1.475 63.715 62.300 -0.099 0.000 1.068 254 V CB -0.629 31.081 31.823 -0.189 0.000 0.689 254 V HN 0.546 nan 8.190 nan 0.000 0.462 255 L N 0.205 121.444 121.223 0.027 0.000 2.141 255 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 255 L C 2.745 179.824 176.870 0.348 0.000 1.094 255 L CA 1.357 56.329 54.840 0.220 0.000 0.763 255 L CB -0.750 41.411 42.059 0.171 0.000 0.908 255 L HN 0.366 nan 8.230 nan 0.000 0.437 256 A N 0.283 123.202 122.820 0.164 0.000 1.877 256 A HA -0.184 4.135 4.320 -0.000 0.000 0.216 256 A C 2.560 180.172 177.584 0.046 0.000 1.186 256 A CA 1.759 53.849 52.037 0.088 0.000 0.620 256 A CB -0.677 18.349 19.000 0.045 0.000 0.822 256 A HN 0.389 nan 8.150 nan 0.000 0.443 257 A N -0.098 122.740 122.820 0.029 0.000 1.883 257 A HA 0.117 4.437 4.320 -0.000 0.000 0.217 257 A C 2.530 180.123 177.584 0.015 0.000 1.186 257 A CA 2.293 54.330 52.037 -0.001 0.000 0.624 257 A CB -1.105 17.876 19.000 -0.033 0.000 0.822 257 A HN 1.106 nan 8.150 nan 0.000 0.444 258 A N -0.416 122.449 122.820 0.074 0.000 1.883 258 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 258 A C 2.202 179.801 177.584 0.025 0.000 1.186 258 A CA 1.595 53.703 52.037 0.119 0.000 0.624 258 A CB -0.640 18.538 19.000 0.298 0.000 0.822 258 A HN 0.475 nan 8.150 nan 0.000 0.444 259 L N -0.735 120.455 121.223 -0.055 0.000 2.046 259 L HA -0.218 4.121 4.340 -0.000 0.000 0.208 259 L C 2.604 179.404 176.870 -0.117 0.000 1.077 259 L CA 1.641 56.310 54.840 -0.285 0.000 0.747 259 L CB -0.533 41.288 42.059 -0.397 0.000 0.896 259 L HN 0.489 nan 8.230 nan 0.000 0.432 260 E N 0.180 120.352 120.200 -0.046 0.000 2.097 260 E HA -0.271 4.078 4.350 -0.000 0.000 0.196 260 E C 2.197 178.795 176.600 -0.004 0.000 1.000 260 E CA 1.532 57.920 56.400 -0.020 0.000 0.804 260 E CB -0.196 29.492 29.700 -0.020 0.000 0.740 260 E HN 0.501 nan 8.360 nan 0.000 0.454 261 I N 0.346 120.924 120.570 0.013 0.000 2.226 261 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 261 I C 2.449 178.673 176.117 0.177 0.000 1.100 261 I CA 1.041 62.398 61.300 0.095 0.000 1.374 261 I CB -0.152 37.894 38.000 0.077 0.000 1.057 261 I HN 0.155 nan 8.210 nan 0.000 0.413 262 M N -0.313 119.318 119.600 0.051 0.000 2.132 262 M HA -0.171 4.309 4.480 -0.000 0.000 0.263 262 M C 2.401 178.828 176.300 0.212 0.000 1.065 262 M CA 1.482 56.801 55.300 0.031 0.000 1.122 262 M CB -0.282 32.090 32.600 -0.380 0.000 1.365 262 M HN 0.056 nan 8.290 nan 0.000 0.411 263 V N 0.697 120.727 119.914 0.194 0.000 2.255 263 V HA -0.344 3.776 4.120 -0.000 0.000 0.247 263 V C 2.324 178.471 176.094 0.088 0.000 1.051 263 V CA 2.127 64.552 62.300 0.208 0.000 1.018 263 V CB -0.766 31.126 31.823 0.115 0.000 0.641 263 V HN 0.485 nan 8.190 nan 0.000 0.445 264 K N -0.641 119.752 120.400 -0.013 0.000 2.074 264 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 264 K C 1.630 178.039 176.600 -0.317 0.000 1.048 264 K CA 2.101 58.261 56.287 -0.211 0.000 0.926 264 K CB -0.210 32.069 32.500 -0.368 0.000 0.713 264 K HN 0.469 nan 8.250 nan 0.000 0.444 265 F N 0.898 120.878 119.950 0.050 0.000 2.693 265 F HA 0.109 4.636 4.527 -0.000 0.000 0.303 265 F C 0.850 176.695 175.800 0.075 0.000 1.097 265 F CA -0.364 57.668 58.000 0.053 0.000 1.330 265 F CB 0.244 39.268 39.000 0.040 0.000 1.067 265 F HN -0.051 nan 8.300 nan 0.000 0.565 266 S N -0.772 115.053 115.700 0.208 0.000 2.632 266 S HA 0.146 4.616 4.470 -0.000 0.000 0.267 266 S C 1.419 176.085 174.600 0.111 0.000 1.276 266 S CA -0.083 58.220 58.200 0.172 0.000 0.998 266 S CB 1.350 64.649 63.200 0.165 0.000 0.953 266 S HN 0.208 nan 8.310 nan 0.000 0.547 267 S N 0.147 115.900 115.700 0.089 0.000 2.453 267 S HA 0.032 4.502 4.470 -0.000 0.000 0.231 267 S C 0.119 174.777 174.600 0.097 0.000 1.005 267 S CA 0.485 58.744 58.200 0.098 0.000 0.949 267 S CB -0.588 62.675 63.200 0.106 0.000 0.774 267 S HN 0.834 nan 8.310 nan 0.000 0.510 268 E N 0.904 121.147 120.200 0.070 0.000 3.117 268 E HA 0.299 4.649 4.350 -0.000 0.000 0.262 268 E C -2.496 174.080 176.600 -0.040 0.000 1.202 268 E CA -1.640 54.781 56.400 0.036 0.000 0.853 268 E CB 1.718 31.380 29.700 -0.064 0.000 1.426 268 E HN 0.118 nan 8.360 nan 0.000 0.387 269 P HA -0.239 nan 4.420 nan 0.000 0.218 269 P C 1.182 178.480 177.300 -0.004 0.000 1.148 269 P CA 1.172 64.287 63.100 0.026 0.000 0.822 269 P CB 0.065 31.788 31.700 0.038 0.000 0.784 270 H N -0.543 118.483 119.070 -0.074 0.000 2.387 270 H HA -0.026 4.530 4.556 -0.001 0.000 0.299 270 H C 1.692 176.929 175.328 -0.151 0.000 1.090 270 H CA 1.135 57.125 56.048 -0.096 0.000 1.332 270 H CB -1.309 28.399 29.762 -0.090 0.000 1.386 270 H HN 0.169 nan 8.280 nan 0.000 0.516 271 L N 0.361 121.150 121.223 -0.724 0.000 2.162 271 L HA 0.143 4.483 4.340 -0.000 0.000 0.205 271 L C 3.080 179.702 176.870 -0.415 0.000 1.086 271 L CA 0.710 55.110 54.840 -0.732 0.000 0.778 271 L CB -0.439 40.861 42.059 -1.264 0.000 0.928 271 L HN 0.313 nan 8.230 nan 0.000 0.446 272 A N -0.696 121.978 122.820 -0.245 0.000 2.015 272 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 272 A C 2.269 179.798 177.584 -0.091 0.000 1.163 272 A CA 1.006 52.928 52.037 -0.192 0.000 0.646 272 A CB -0.385 18.457 19.000 -0.263 0.000 0.806 272 A HN 0.326 nan 8.150 nan 0.000 0.448 273 Q N 0.121 119.884 119.800 -0.062 0.000 2.133 273 Q HA -0.165 4.175 4.340 -0.000 0.000 0.208 273 Q C 2.189 178.174 176.000 -0.025 0.000 0.991 273 Q CA 2.082 57.872 55.803 -0.021 0.000 0.867 273 Q CB -0.489 28.234 28.738 -0.025 0.000 0.911 273 Q HN 0.487 nan 8.270 nan 0.000 0.417 274 V N -0.293 119.584 119.914 -0.061 0.000 2.358 274 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 274 V C 2.540 178.628 176.094 -0.010 0.000 1.047 274 V CA 1.365 63.638 62.300 -0.045 0.000 1.035 274 V CB -0.659 31.113 31.823 -0.085 0.000 0.658 274 V HN 0.094 nan 8.190 nan 0.000 0.452 275 V N 0.588 120.501 119.914 -0.002 0.000 2.295 275 V HA -0.259 3.860 4.120 -0.000 0.000 0.246 275 V C 2.780 178.903 176.094 0.049 0.000 1.049 275 V CA 2.025 64.345 62.300 0.033 0.000 1.024 275 V CB -1.256 30.566 31.823 -0.001 0.000 0.648 275 V HN 0.543 nan 8.190 nan 0.000 0.447 276 A N 1.056 123.914 122.820 0.064 0.000 1.873 276 A HA -0.299 4.020 4.320 -0.000 0.000 0.218 276 A C 2.236 179.812 177.584 -0.013 0.000 1.193 276 A CA 2.209 54.258 52.037 0.020 0.000 0.629 276 A CB -0.613 18.416 19.000 0.050 0.000 0.826 276 A HN 0.793 nan 8.150 nan 0.000 0.447 277 E N -0.507 119.697 120.200 0.008 0.000 2.110 277 E HA -0.233 4.116 4.350 -0.000 0.000 0.193 277 E C 1.048 177.670 176.600 0.037 0.000 0.988 277 E CA 1.274 57.685 56.400 0.018 0.000 0.804 277 E CB -0.538 29.169 29.700 0.012 0.000 0.745 277 E HN 0.493 nan 8.360 nan 0.000 0.458 278 D N 1.098 121.521 120.400 0.039 0.000 2.178 278 D HA -0.080 4.560 4.640 -0.000 0.000 0.201 278 D C 2.106 178.464 176.300 0.097 0.000 0.980 278 D CA 0.761 54.795 54.000 0.058 0.000 0.842 278 D CB -0.081 40.747 40.800 0.047 0.000 0.948 278 D HN 0.255 nan 8.370 nan 0.000 0.472 279 L N -0.070 121.202 121.223 0.083 0.000 2.156 279 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 279 L C 2.035 179.031 176.870 0.208 0.000 1.095 279 L CA 0.335 55.257 54.840 0.137 0.000 0.770 279 L CB -0.003 42.024 42.059 -0.054 0.000 0.914 279 L HN 0.073 nan 8.230 nan 0.000 0.439 280 L N -0.901 120.402 121.223 0.134 0.000 2.270 280 L HA 0.083 4.423 4.340 -0.000 0.000 0.210 280 L C 1.446 178.403 176.870 0.146 0.000 1.104 280 L CA 0.774 55.713 54.840 0.165 0.000 0.804 280 L CB -0.772 41.351 42.059 0.106 0.000 0.937 280 L HN 0.058 nan 8.230 nan 0.000 0.450 281 S N 0.474 116.248 115.700 0.123 0.000 2.554 281 S HA -0.001 4.469 4.470 -0.000 0.000 0.290 281 S C -2.028 172.658 174.600 0.143 0.000 1.309 281 S CA -0.756 57.511 58.200 0.111 0.000 1.047 281 S CB 0.285 63.541 63.200 0.094 0.000 0.828 281 S HN 0.054 nan 8.310 nan 0.000 0.509 282 P HA 0.030 nan 4.420 nan 0.000 0.260 282 P C -0.916 176.487 177.300 0.172 0.000 1.172 282 P CA 0.292 63.473 63.100 0.134 0.000 0.760 282 P CB 0.281 32.037 31.700 0.094 0.000 0.773 283 S N 2.190 118.036 115.700 0.242 0.000 2.523 283 S HA 0.179 4.649 4.470 -0.000 0.000 0.275 283 S C 0.228 174.980 174.600 0.253 0.000 1.281 283 S CA -0.645 57.774 58.200 0.365 0.000 1.050 283 S CB 0.355 63.894 63.200 0.566 0.000 0.937 283 S HN 0.143 nan 8.310 nan 0.000 0.492 284 V N 4.684 124.723 119.914 0.208 0.000 2.427 284 V HA 0.286 4.406 4.120 -0.000 0.000 0.268 284 V C 0.184 176.335 176.094 0.096 0.000 1.046 284 V CA -0.372 61.974 62.300 0.076 0.000 0.970 284 V CB 0.763 32.573 31.823 -0.023 0.000 1.001 284 V HN 0.666 nan 8.190 nan 0.000 0.476 285 V N 4.080 123.984 119.914 -0.018 0.000 2.444 285 V HA 0.529 4.649 4.120 -0.000 0.000 0.294 285 V C -0.423 175.587 176.094 -0.140 0.000 1.022 285 V CA -0.608 61.622 62.300 -0.116 0.000 0.850 285 V CB 1.816 33.377 31.823 -0.437 0.000 0.992 285 V HN 0.830 nan 8.190 nan 0.000 0.426 286 D N 4.632 124.967 120.400 -0.109 0.000 2.336 286 D HA 0.171 4.811 4.640 -0.000 0.000 0.249 286 D C 0.870 177.096 176.300 -0.124 0.000 1.213 286 D CA 0.282 54.223 54.000 -0.098 0.000 0.870 286 D CB 1.756 42.530 40.800 -0.043 0.000 1.076 286 D HN 0.793 nan 8.370 nan 0.000 0.483 287 V N 1.944 121.767 119.914 -0.153 0.000 3.342 287 V HA 0.534 4.654 4.120 -0.000 0.000 0.322 287 V C 1.175 177.180 176.094 -0.148 0.000 1.370 287 V CA 0.566 62.768 62.300 -0.163 0.000 1.170 287 V CB 0.003 31.695 31.823 -0.219 0.000 1.101 287 V HN 0.718 nan 8.190 nan 0.000 0.442 288 G N 0.651 109.365 108.800 -0.142 0.000 3.626 288 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.241 288 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.241 288 G C 0.576 175.361 174.900 -0.191 0.000 1.824 288 G CA 0.399 45.411 45.100 -0.147 0.000 1.511 288 G HN 0.370 nan 8.290 nan 0.000 0.600 289 D N 0.332 120.569 120.400 -0.272 0.000 2.216 289 D HA 0.288 4.927 4.640 -0.000 0.000 0.208 289 D C 0.565 176.502 176.300 -0.604 0.000 0.960 289 D CA 0.754 54.481 54.000 -0.455 0.000 0.861 289 D CB 0.151 40.595 40.800 -0.592 0.000 0.985 289 D HN 0.217 nan 8.370 nan 0.000 0.493 290 F N 0.563 120.383 119.950 -0.216 0.000 2.541 290 F HA 0.391 4.918 4.527 -0.001 0.000 0.331 290 F C 0.645 176.320 175.800 -0.209 0.000 1.057 290 F CA -0.878 56.993 58.000 -0.214 0.000 0.975 290 F CB 1.244 40.070 39.000 -0.290 0.000 1.246 290 F HN -0.571 nan 8.300 nan 0.000 0.484 291 K N 2.614 123.059 120.400 0.076 0.000 2.159 291 K HA 0.695 5.014 4.320 -0.000 0.000 0.266 291 K C -0.885 175.699 176.600 -0.027 0.000 0.975 291 K CA -0.604 55.672 56.287 -0.019 0.000 0.865 291 K CB 1.925 34.404 32.500 -0.035 0.000 1.087 291 K HN 0.583 nan 8.250 nan 0.000 0.446 292 I N -2.174 118.358 120.570 -0.063 0.000 2.892 292 I HA 0.466 4.636 4.170 -0.000 0.000 0.306 292 I C -0.477 175.628 176.117 -0.021 0.000 1.078 292 I CA -0.822 60.451 61.300 -0.045 0.000 1.032 292 I CB 2.217 40.199 38.000 -0.030 0.000 1.229 292 I HN 0.298 nan 8.210 nan 0.000 0.435 293 S N 4.372 120.076 115.700 0.008 0.000 2.448 293 S HA 0.579 5.048 4.470 -0.000 0.000 0.320 293 S C -0.523 174.114 174.600 0.062 0.000 1.071 293 S CA -0.645 57.578 58.200 0.040 0.000 1.113 293 S CB 0.244 63.465 63.200 0.036 0.000 0.972 293 S HN 0.422 nan 8.310 nan 0.000 0.465 294 I N 6.053 126.680 120.570 0.095 0.000 2.328 294 I HA 0.264 4.434 4.170 -0.000 0.000 0.287 294 I C 0.821 177.051 176.117 0.188 0.000 1.012 294 I CA -0.534 60.855 61.300 0.148 0.000 1.195 294 I CB 1.089 39.192 38.000 0.171 0.000 1.350 294 I HN 0.735 nan 8.210 nan 0.000 0.464 295 N N 4.410 123.200 118.700 0.150 0.000 2.373 295 N HA 0.026 4.766 4.740 -0.000 0.000 0.181 295 N C 0.244 175.828 175.510 0.123 0.000 1.082 295 N CA 0.344 53.470 53.050 0.126 0.000 0.885 295 N CB 0.571 39.109 38.487 0.085 0.000 0.977 295 N HN 0.405 nan 8.380 nan 0.000 0.462 296 E N -0.399 119.893 120.200 0.153 0.000 2.320 296 E HA 0.606 4.955 4.350 -0.000 0.000 0.264 296 E C 0.409 177.120 176.600 0.185 0.000 0.923 296 E CA -0.211 56.258 56.400 0.115 0.000 0.796 296 E CB 2.094 31.828 29.700 0.057 0.000 1.262 296 E HN 0.282 nan 8.360 nan 0.000 0.428 297 G N 0.186 109.012 108.800 0.043 0.000 2.728 297 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.294 297 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.294 297 G C -1.381 173.464 174.900 -0.091 0.000 1.342 297 G CA -0.335 44.758 45.100 -0.012 0.000 0.866 297 G HN 0.391 nan 8.290 nan 0.000 0.534 298 L N 1.459 122.578 121.223 -0.172 0.000 2.287 298 L HA 0.683 5.022 4.340 -0.000 0.000 0.287 298 L C -2.030 174.436 176.870 -0.674 0.000 1.022 298 L CA -2.028 52.556 54.840 -0.427 0.000 0.814 298 L CB 1.541 43.321 42.059 -0.466 0.000 1.217 298 L HN 0.349 nan 8.230 nan 0.000 0.420 299 P HA 0.022 nan 4.420 nan 0.000 0.253 299 P C -0.974 175.556 177.300 -1.284 0.000 1.170 299 P CA 0.481 62.467 63.100 -1.857 0.000 0.806 299 P CB 0.034 31.102 31.700 -1.053 0.000 0.775 300 S N 2.401 117.156 115.700 -1.575 0.000 2.610 300 S HA 0.526 4.996 4.470 -0.000 0.000 0.273 300 S C 1.389 175.891 174.600 -0.162 0.000 1.274 300 S CA 0.173 58.062 58.200 -0.518 0.000 1.023 300 S CB 0.915 64.042 63.200 -0.121 0.000 0.962 300 S HN 0.779 nan 8.310 nan 0.000 0.523 301 G N 0.315 109.107 108.800 -0.013 0.000 2.147 301 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.244 301 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.244 301 G C -0.171 174.794 174.900 0.108 0.000 1.005 301 G CA -0.003 45.150 45.100 0.089 0.000 0.713 301 G HN 0.778 nan 8.290 nan 0.000 0.515 302 V N 1.487 121.447 119.914 0.076 0.000 2.398 302 V HA 0.494 4.613 4.120 -0.000 0.000 0.286 302 V C -1.461 174.707 176.094 0.124 0.000 1.026 302 V CA -1.988 60.390 62.300 0.131 0.000 0.868 302 V CB 1.632 33.550 31.823 0.159 0.000 0.982 302 V HN 0.165 nan 8.190 nan 0.000 0.443 303 P HA -0.041 nan 4.420 nan 0.000 0.263 303 P C 0.849 178.227 177.300 0.130 0.000 1.168 303 P CA 0.542 63.715 63.100 0.121 0.000 0.759 303 P CB 0.217 31.988 31.700 0.118 0.000 0.782 304 C N 1.955 121.321 119.300 0.109 0.000 5.870 304 C HA -0.222 4.237 4.460 -0.000 0.000 0.313 304 C C 2.386 177.459 174.990 0.137 0.000 2.306 304 C CA 2.300 61.381 59.018 0.105 0.000 2.063 304 C CB -2.749 25.062 27.740 0.118 0.000 3.096 304 C HN 0.770 nan 8.230 nan 0.000 0.350 305 T N 0.223 114.882 114.554 0.175 0.000 3.025 305 T HA -0.016 4.334 4.350 -0.000 0.000 0.270 305 T C 1.550 176.312 174.700 0.103 0.000 1.126 305 T CA 2.297 64.531 62.100 0.222 0.000 1.105 305 T CB -0.586 68.345 68.868 0.106 0.000 0.884 305 T HN 1.588 nan 8.240 nan 0.000 0.522 306 S N 1.575 117.305 115.700 0.050 0.000 2.383 306 S HA -0.173 4.297 4.470 -0.000 0.000 0.227 306 S C 2.090 176.654 174.600 -0.060 0.000 1.026 306 S CA 0.740 58.922 58.200 -0.030 0.000 0.981 306 S CB -0.465 62.691 63.200 -0.073 0.000 0.818 306 S HN 0.500 nan 8.310 nan 0.000 0.472 307 Q N 0.216 120.002 119.800 -0.023 0.000 2.079 307 Q HA 0.019 4.359 4.340 -0.000 0.000 0.200 307 Q C 1.691 177.749 176.000 0.097 0.000 0.974 307 Q CA 1.581 57.384 55.803 -0.000 0.000 0.840 307 Q CB -0.639 28.091 28.738 -0.014 0.000 0.898 307 Q HN 0.812 nan 8.270 nan 0.000 0.430 308 W N 1.770 123.007 121.300 -0.105 0.000 2.354 308 W HA -0.159 4.501 4.660 -0.001 0.000 0.315 308 W C 1.749 178.248 176.519 -0.033 0.000 1.206 308 W CA 1.693 58.975 57.345 -0.106 0.000 1.290 308 W CB -0.938 28.437 29.460 -0.142 0.000 1.152 308 W HN 0.176 nan 8.180 nan 0.000 0.489 309 N N -0.074 118.603 118.700 -0.040 0.000 2.166 309 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 309 N C 1.815 177.339 175.510 0.023 0.000 1.019 309 N CA 2.126 55.112 53.050 -0.108 0.000 0.856 309 N CB -0.535 37.893 38.487 -0.098 0.000 0.993 309 N HN 0.093 nan 8.380 nan 0.000 0.426 310 S N 0.066 115.781 115.700 0.025 0.000 2.383 310 S HA 0.041 4.511 4.470 -0.000 0.000 0.227 310 S C 2.004 176.655 174.600 0.084 0.000 1.026 310 S CA 0.603 58.821 58.200 0.030 0.000 0.981 310 S CB -0.091 63.135 63.200 0.043 0.000 0.818 310 S HN 0.349 nan 8.310 nan 0.000 0.472 311 I N 1.849 122.523 120.570 0.173 0.000 2.226 311 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 311 I C 2.731 178.918 176.117 0.116 0.000 1.100 311 I CA 1.094 62.527 61.300 0.222 0.000 1.374 311 I CB -0.544 37.568 38.000 0.186 0.000 1.057 311 I HN 0.258 nan 8.210 nan 0.000 0.413 312 A N 0.029 122.904 122.820 0.092 0.000 1.902 312 A HA -0.302 4.018 4.320 -0.000 0.000 0.217 312 A C 2.192 179.816 177.584 0.065 0.000 1.181 312 A CA 2.007 54.068 52.037 0.041 0.000 0.623 312 A CB -1.170 17.814 19.000 -0.026 0.000 0.818 312 A HN 0.515 nan 8.150 nan 0.000 0.443 313 H N -2.691 116.366 119.070 -0.023 0.000 2.319 313 H HA -0.230 4.326 4.556 -0.000 0.000 0.299 313 H C 1.932 176.914 175.328 -0.577 0.000 1.092 313 H CA 1.772 57.698 56.048 -0.203 0.000 1.302 313 H CB -0.166 29.258 29.762 -0.564 0.000 1.373 313 H HN 0.686 nan 8.280 nan 0.000 0.497 314 W N 1.480 122.278 121.300 -0.836 0.000 2.333 314 W HA -0.231 4.429 4.660 -0.000 0.000 0.316 314 W C 1.995 178.365 176.519 -0.249 0.000 1.215 314 W CA 1.466 58.387 57.345 -0.706 0.000 1.278 314 W CB -1.006 28.308 29.460 -0.244 0.000 1.154 314 W HN 0.283 nan 8.180 nan 0.000 0.486 315 L N -0.027 121.190 121.223 -0.009 0.000 1.990 315 L HA -0.311 4.029 4.340 -0.000 0.000 0.213 315 L C 2.708 179.561 176.870 -0.028 0.000 1.072 315 L CA 1.824 56.619 54.840 -0.074 0.000 0.755 315 L CB -1.174 40.827 42.059 -0.097 0.000 0.889 315 L HN -0.052 nan 8.230 nan 0.000 0.432 316 L N -1.191 120.018 121.223 -0.024 0.000 2.083 316 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 316 L C 2.564 179.537 176.870 0.170 0.000 1.083 316 L CA 1.537 56.393 54.840 0.028 0.000 0.752 316 L CB -0.813 41.240 42.059 -0.010 0.000 0.899 316 L HN 0.281 nan 8.230 nan 0.000 0.433 317 T N -0.025 114.611 114.554 0.137 0.000 2.737 317 T HA -0.127 4.223 4.350 -0.000 0.000 0.265 317 T C 1.979 176.760 174.700 0.135 0.000 1.038 317 T CA 1.091 63.285 62.100 0.157 0.000 1.144 317 T CB -0.228 68.678 68.868 0.063 0.000 0.866 317 T HN 0.169 nan 8.240 nan 0.000 0.434 318 L N 0.417 121.713 121.223 0.121 0.000 2.042 318 L HA -0.159 4.180 4.340 -0.000 0.000 0.210 318 L C 2.865 179.838 176.870 0.172 0.000 1.076 318 L CA 1.053 56.010 54.840 0.193 0.000 0.749 318 L CB -0.586 41.582 42.059 0.183 0.000 0.893 318 L HN 0.409 nan 8.230 nan 0.000 0.432 319 C N -0.762 118.627 119.300 0.149 0.000 2.453 319 C HA -0.102 4.358 4.460 -0.000 0.000 0.277 319 C C 3.116 178.272 174.990 0.277 0.000 1.262 319 C CA 0.647 59.767 59.018 0.171 0.000 1.718 319 C CB -0.947 26.841 27.740 0.081 0.000 2.031 319 C HN 0.628 nan 8.230 nan 0.000 0.480 320 A N 0.262 123.286 122.820 0.339 0.000 1.902 320 A HA -0.106 4.213 4.320 -0.000 0.000 0.217 320 A C 2.118 179.777 177.584 0.125 0.000 1.181 320 A CA 1.512 53.660 52.037 0.185 0.000 0.623 320 A CB -0.593 18.480 19.000 0.122 0.000 0.818 320 A HN 0.614 nan 8.150 nan 0.000 0.443 321 L N -1.155 120.173 121.223 0.175 0.000 2.023 321 L HA -0.131 4.209 4.340 -0.000 0.000 0.205 321 L C 2.915 179.869 176.870 0.140 0.000 1.073 321 L CA 1.436 56.380 54.840 0.173 0.000 0.745 321 L CB -0.628 41.583 42.059 0.253 0.000 0.900 321 L HN 0.486 nan 8.230 nan 0.000 0.435 322 S N -0.217 115.572 115.700 0.149 0.000 2.365 322 S HA -0.254 4.215 4.470 -0.000 0.000 0.225 322 S C 1.860 176.515 174.600 0.092 0.000 1.039 322 S CA 1.815 60.086 58.200 0.118 0.000 1.033 322 S CB -0.143 63.126 63.200 0.116 0.000 0.887 322 S HN 0.410 nan 8.310 nan 0.000 0.447 323 E N -0.257 120.001 120.200 0.097 0.000 2.047 323 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 323 E C 2.142 178.765 176.600 0.039 0.000 0.987 323 E CA 1.314 57.757 56.400 0.071 0.000 0.799 323 E CB -0.237 29.518 29.700 0.092 0.000 0.752 323 E HN 0.357 nan 8.360 nan 0.000 0.449 324 V N 0.573 120.504 119.914 0.028 0.000 2.626 324 V HA -0.168 3.952 4.120 -0.000 0.000 0.252 324 V C 2.101 178.204 176.094 0.016 0.000 1.067 324 V CA 1.778 64.080 62.300 0.004 0.000 1.081 324 V CB -0.026 31.789 31.823 -0.013 0.000 0.686 324 V HN 0.295 nan 8.190 nan 0.000 0.468 325 T N -1.767 112.810 114.554 0.038 0.000 2.990 325 T HA 0.114 4.463 4.350 -0.000 0.000 0.249 325 T C 1.037 175.762 174.700 0.041 0.000 1.039 325 T CA 0.379 62.504 62.100 0.043 0.000 1.036 325 T CB -0.252 68.657 68.868 0.068 0.000 0.994 325 T HN 0.600 nan 8.240 nan 0.000 0.489 326 N N 0.840 119.566 118.700 0.044 0.000 2.725 326 N HA -0.145 4.595 4.740 -0.000 0.000 0.249 326 N C -0.847 174.690 175.510 0.047 0.000 1.103 326 N CA 0.074 53.149 53.050 0.041 0.000 0.707 326 N CB -0.941 37.564 38.487 0.030 0.000 1.043 326 N HN 0.401 nan 8.380 nan 0.000 0.553 327 L N 0.699 121.958 121.223 0.060 0.000 2.333 327 L HA 0.426 4.766 4.340 -0.000 0.000 0.269 327 L C 0.862 177.775 176.870 0.072 0.000 1.010 327 L CA -0.831 54.047 54.840 0.064 0.000 0.818 327 L CB 1.744 43.847 42.059 0.072 0.000 1.306 327 L HN 0.132 nan 8.230 nan 0.000 0.430 328 S N 0.733 116.472 115.700 0.066 0.000 2.573 328 S HA 0.170 4.639 4.470 -0.000 0.000 0.277 328 S C -1.967 172.687 174.600 0.089 0.000 1.346 328 S CA -0.837 57.403 58.200 0.067 0.000 1.034 328 S CB 0.826 64.058 63.200 0.054 0.000 0.879 328 S HN 0.425 nan 8.310 nan 0.000 0.528 329 P HA -0.119 nan 4.420 nan 0.000 0.216 329 P C 0.838 178.216 177.300 0.130 0.000 1.150 329 P CA 1.347 64.520 63.100 0.122 0.000 0.843 329 P CB -0.035 31.717 31.700 0.088 0.000 0.787 330 D N -1.012 119.443 120.400 0.092 0.000 2.123 330 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 330 D C 1.896 178.249 176.300 0.088 0.000 0.992 330 D CA 1.036 55.087 54.000 0.086 0.000 0.833 330 D CB -0.565 40.272 40.800 0.060 0.000 0.954 330 D HN 0.075 nan 8.370 nan 0.000 0.455 331 I N 0.991 121.611 120.570 0.083 0.000 2.252 331 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 331 I C 2.319 178.494 176.117 0.096 0.000 1.102 331 I CA 0.578 61.925 61.300 0.079 0.000 1.385 331 I CB -0.724 37.318 38.000 0.070 0.000 1.064 331 I HN 0.028 nan 8.210 nan 0.000 0.414 332 I N 0.552 121.200 120.570 0.129 0.000 2.142 332 I HA -0.297 3.873 4.170 -0.000 0.000 0.240 332 I C 2.624 178.828 176.117 0.144 0.000 1.078 332 I CA 1.451 62.854 61.300 0.171 0.000 1.343 332 I CB -1.396 36.752 38.000 0.247 0.000 1.046 332 I HN 0.260 nan 8.210 nan 0.000 0.405 333 Q N 1.295 121.202 119.800 0.178 0.000 2.096 333 Q HA -0.127 4.212 4.340 -0.000 0.000 0.204 333 Q C 2.095 178.087 176.000 -0.013 0.000 0.982 333 Q CA 2.433 58.308 55.803 0.119 0.000 0.850 333 Q CB -0.406 28.464 28.738 0.221 0.000 0.901 333 Q HN 0.491 nan 8.270 nan 0.000 0.422 334 A N -0.415 122.427 122.820 0.036 0.000 2.206 334 A HA -0.009 4.311 4.320 -0.000 0.000 0.211 334 A C 1.165 178.775 177.584 0.043 0.000 1.158 334 A CA 0.915 52.970 52.037 0.030 0.000 0.761 334 A CB -0.098 18.928 19.000 0.044 0.000 0.801 334 A HN 0.405 nan 8.150 nan 0.000 0.473 335 N N -0.348 118.375 118.700 0.039 0.000 2.197 335 N HA 0.159 4.898 4.740 -0.000 0.000 0.228 335 N C -0.793 174.757 175.510 0.066 0.000 1.212 335 N CA 0.204 53.318 53.050 0.106 0.000 0.883 335 N CB 0.846 39.393 38.487 0.100 0.000 1.107 335 N HN 0.244 nan 8.380 nan 0.000 0.519 336 S N 0.371 115.920 115.700 -0.252 0.000 2.661 336 S HA 0.618 5.087 4.470 -0.000 0.000 0.285 336 S C -1.265 172.576 174.600 -1.264 0.000 1.138 336 S CA -0.533 57.215 58.200 -0.755 0.000 0.855 336 S CB 2.603 65.402 63.200 -0.667 0.000 1.136 336 S HN 0.071 nan 8.310 nan 0.000 0.484 337 L N 2.034 122.375 121.223 -1.470 0.000 2.476 337 L HA 0.685 5.025 4.340 -0.000 0.000 0.269 337 L C -2.077 174.205 176.870 -0.980 0.000 0.965 337 L CA -0.201 53.866 54.840 -1.288 0.000 0.845 337 L CB 0.986 42.269 42.059 -1.294 0.000 1.259 337 L HN 0.555 nan 8.230 nan 0.000 0.403 338 F N 1.822 121.380 119.950 -0.653 0.000 2.492 338 F HA 0.707 5.234 4.527 -0.000 0.000 0.327 338 F C 0.412 175.696 175.800 -0.859 0.000 1.079 338 F CA -0.971 56.556 58.000 -0.788 0.000 0.967 338 F CB 2.231 40.582 39.000 -1.081 0.000 1.169 338 F HN 0.284 nan 8.300 nan 0.000 0.472 339 S N 2.456 117.725 115.700 -0.718 0.000 2.605 339 S HA 0.747 5.217 4.470 -0.000 0.000 0.308 339 S C -1.406 172.712 174.600 -0.803 0.000 1.113 339 S CA -0.435 57.308 58.200 -0.762 0.000 1.049 339 S CB 0.363 62.970 63.200 -0.989 0.000 1.001 339 S HN 0.323 nan 8.310 nan 0.000 0.480 340 F N 2.208 122.101 119.950 -0.096 0.000 2.563 340 F HA 0.570 5.097 4.527 0.000 0.000 0.316 340 F C -0.619 175.296 175.800 0.193 0.000 1.076 340 F CA -1.064 56.895 58.000 -0.068 0.000 0.921 340 F CB 1.250 40.059 39.000 -0.318 0.000 1.209 340 F HN 0.501 nan 8.300 nan 0.000 0.462 341 Y N 1.630 122.051 120.300 0.203 0.000 2.359 341 Y HA 0.494 5.044 4.550 -0.001 0.000 0.336 341 Y C 0.421 176.279 175.900 -0.070 0.000 1.098 341 Y CA -0.345 57.772 58.100 0.028 0.000 1.272 341 Y CB 1.040 39.413 38.460 -0.144 0.000 1.112 341 Y HN 0.880 nan 8.280 nan 0.000 0.481 342 G N 4.277 113.101 108.800 0.039 0.000 2.665 342 G HA2 -0.457 3.503 3.960 -0.000 0.000 0.326 342 G HA3 -0.457 3.503 3.960 -0.000 0.000 0.326 342 G C 0.946 175.679 174.900 -0.278 0.000 1.231 342 G CA 1.074 46.134 45.100 -0.067 0.000 0.992 342 G HN 0.753 nan 8.290 nan 0.000 0.549 343 D N 1.297 121.416 120.400 -0.469 0.000 2.347 343 D HA 0.078 4.718 4.640 -0.000 0.000 0.215 343 D C 0.677 176.880 176.300 -0.163 0.000 0.976 343 D CA 1.026 54.517 54.000 -0.848 0.000 0.884 343 D CB -0.301 40.140 40.800 -0.599 0.000 0.915 343 D HN 0.354 nan 8.370 nan 0.000 0.526 344 D N 1.182 121.569 120.400 -0.022 0.000 2.351 344 D HA 0.146 4.786 4.640 -0.000 0.000 0.251 344 D C -0.078 176.379 176.300 0.261 0.000 1.137 344 D CA -0.035 54.013 54.000 0.081 0.000 0.879 344 D CB 0.832 41.541 40.800 -0.152 0.000 1.181 344 D HN 0.452 nan 8.370 nan 0.000 0.448 345 E N 2.213 122.610 120.200 0.328 0.000 2.393 345 E HA 0.608 4.957 4.350 -0.000 0.000 0.273 345 E C -0.991 175.654 176.600 0.076 0.000 0.918 345 E CA -0.922 55.608 56.400 0.218 0.000 0.773 345 E CB 1.364 31.207 29.700 0.238 0.000 1.275 345 E HN 0.299 nan 8.360 nan 0.000 0.451 346 I N 1.685 122.081 120.570 -0.290 0.000 2.466 346 I HA 0.318 4.488 4.170 -0.000 0.000 0.289 346 I C -1.037 174.853 176.117 -0.377 0.000 1.026 346 I CA -1.226 59.826 61.300 -0.414 0.000 1.078 346 I CB 2.168 39.705 38.000 -0.773 0.000 1.249 346 I HN 0.347 nan 8.210 nan 0.000 0.429 347 V N 4.954 124.629 119.914 -0.397 0.000 2.384 347 V HA 0.491 4.610 4.120 -0.000 0.000 0.287 347 V C -0.091 175.871 176.094 -0.221 0.000 1.020 347 V CA -0.270 61.829 62.300 -0.334 0.000 0.850 347 V CB 1.585 32.981 31.823 -0.711 0.000 0.987 347 V HN 0.794 nan 8.190 nan 0.000 0.436 348 S N 2.931 118.603 115.700 -0.046 0.000 2.566 348 S HA 0.864 5.334 4.470 -0.000 0.000 0.298 348 S C -0.300 174.155 174.600 -0.242 0.000 1.083 348 S CA -0.669 57.489 58.200 -0.071 0.000 0.978 348 S CB 2.187 65.496 63.200 0.183 0.000 1.073 348 S HN 0.836 nan 8.310 nan 0.000 0.491 349 T N 0.095 114.592 114.554 -0.094 0.000 2.886 349 T HA 0.298 4.647 4.350 -0.000 0.000 0.330 349 T C -1.092 173.744 174.700 0.227 0.000 1.488 349 T CA -0.506 61.615 62.100 0.035 0.000 1.054 349 T CB 1.399 70.339 68.868 0.120 0.000 1.348 349 T HN 0.433 nan 8.240 nan 0.000 0.489 350 D N 1.703 122.269 120.400 0.276 0.000 2.354 350 D HA 0.245 4.885 4.640 -0.000 0.000 0.209 350 D C 0.577 177.032 176.300 0.258 0.000 1.015 350 D CA 0.387 54.509 54.000 0.203 0.000 0.867 350 D CB 0.221 41.101 40.800 0.132 0.000 0.933 350 D HN 0.514 nan 8.370 nan 0.000 0.520 351 I N 1.504 122.222 120.570 0.248 0.000 2.396 351 I HA 0.018 4.188 4.170 -0.000 0.000 0.289 351 I C 0.849 177.063 176.117 0.161 0.000 1.056 351 I CA -0.334 61.083 61.300 0.195 0.000 1.365 351 I CB 0.847 38.930 38.000 0.139 0.000 1.407 351 I HN -0.382 nan 8.210 nan 0.000 0.509 352 K N 7.288 127.748 120.400 0.100 0.000 2.436 352 K HA 0.260 4.580 4.320 -0.000 0.000 0.282 352 K C -0.891 175.616 176.600 -0.156 0.000 1.044 352 K CA -0.021 56.158 56.287 -0.180 0.000 1.028 352 K CB 0.336 32.794 32.500 -0.070 0.000 0.919 352 K HN 0.518 nan 8.250 nan 0.000 0.474 353 L N 2.695 123.769 121.223 -0.248 0.000 2.334 353 L HA 0.296 4.636 4.340 -0.000 0.000 0.272 353 L C 0.060 176.843 176.870 -0.145 0.000 1.020 353 L CA -1.006 53.756 54.840 -0.130 0.000 0.812 353 L CB 1.326 43.341 42.059 -0.075 0.000 1.264 353 L HN 0.618 nan 8.230 nan 0.000 0.439 354 D N 1.920 122.262 120.400 -0.098 0.000 2.317 354 D HA 0.214 4.854 4.640 -0.000 0.000 0.234 354 D C -1.919 174.318 176.300 -0.106 0.000 1.112 354 D CA -1.905 52.040 54.000 -0.092 0.000 0.840 354 D CB 2.124 42.884 40.800 -0.066 0.000 1.078 354 D HN 0.158 nan 8.370 nan 0.000 0.486 355 P HA -0.143 nan 4.420 nan 0.000 0.215 355 P C 1.034 178.265 177.300 -0.115 0.000 1.153 355 P CA 1.083 64.106 63.100 -0.128 0.000 0.853 355 P CB 0.429 32.069 31.700 -0.099 0.000 0.788 356 E N 0.510 120.658 120.200 -0.086 0.000 2.051 356 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 356 E C 1.843 178.393 176.600 -0.083 0.000 0.991 356 E CA 1.301 57.656 56.400 -0.076 0.000 0.799 356 E CB -0.804 28.861 29.700 -0.057 0.000 0.748 356 E HN 0.381 nan 8.360 nan 0.000 0.449 357 K N 0.438 120.790 120.400 -0.080 0.000 2.057 357 K HA -0.119 4.200 4.320 -0.000 0.000 0.207 357 K C 2.274 178.812 176.600 -0.103 0.000 1.049 357 K CA 0.791 57.030 56.287 -0.080 0.000 0.931 357 K CB -0.317 32.146 32.500 -0.063 0.000 0.714 357 K HN -0.007 nan 8.250 nan 0.000 0.440 358 L N 1.549 122.701 121.223 -0.118 0.000 1.989 358 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 358 L C 2.054 178.829 176.870 -0.157 0.000 1.071 358 L CA 2.016 56.768 54.840 -0.147 0.000 0.749 358 L CB -0.965 40.969 42.059 -0.208 0.000 0.890 358 L HN 0.144 nan 8.230 nan 0.000 0.431 359 T N -0.043 114.421 114.554 -0.150 0.000 2.684 359 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 359 T C 1.905 176.540 174.700 -0.109 0.000 1.036 359 T CA 1.485 63.513 62.100 -0.122 0.000 1.148 359 T CB -0.693 68.112 68.868 -0.105 0.000 0.863 359 T HN 0.529 nan 8.240 nan 0.000 0.436 360 A N 1.604 124.358 122.820 -0.109 0.000 1.902 360 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 360 A C 2.212 179.702 177.584 -0.156 0.000 1.181 360 A CA 2.020 53.993 52.037 -0.107 0.000 0.623 360 A CB -0.506 18.442 19.000 -0.087 0.000 0.818 360 A HN 0.368 nan 8.150 nan 0.000 0.443 361 K N 0.137 120.412 120.400 -0.208 0.000 2.057 361 K HA 0.020 4.340 4.320 -0.000 0.000 0.206 361 K C 1.710 177.958 176.600 -0.587 0.000 1.050 361 K CA 1.437 57.504 56.287 -0.367 0.000 0.935 361 K CB -0.637 31.664 32.500 -0.331 0.000 0.715 361 K HN 0.448 nan 8.250 nan 0.000 0.439 362 L N 0.408 121.411 121.223 -0.366 0.000 2.083 362 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 362 L C 2.342 179.131 176.870 -0.136 0.000 1.083 362 L CA 1.451 56.146 54.840 -0.243 0.000 0.752 362 L CB -0.321 41.755 42.059 0.028 0.000 0.899 362 L HN 0.145 nan 8.230 nan 0.000 0.433 363 K N -0.136 120.200 120.400 -0.107 0.000 2.097 363 K HA -0.226 4.094 4.320 -0.000 0.000 0.205 363 K C 2.030 178.591 176.600 -0.065 0.000 1.050 363 K CA 1.343 57.595 56.287 -0.060 0.000 0.938 363 K CB -0.102 32.366 32.500 -0.052 0.000 0.718 363 K HN 0.282 nan 8.250 nan 0.000 0.442 364 E N 0.314 120.447 120.200 -0.112 0.000 2.070 364 E HA -0.227 4.123 4.350 -0.000 0.000 0.197 364 E C 1.273 177.916 176.600 0.071 0.000 1.004 364 E CA 1.295 57.661 56.400 -0.056 0.000 0.805 364 E CB -0.037 29.604 29.700 -0.099 0.000 0.744 364 E HN 0.303 nan 8.360 nan 0.000 0.451 365 Y N -0.409 119.845 120.300 -0.077 0.000 2.716 365 Y HA 0.070 4.620 4.550 -0.000 0.000 0.302 365 Y C 1.827 177.632 175.900 -0.158 0.000 1.160 365 Y CA 0.949 58.979 58.100 -0.117 0.000 1.362 365 Y CB -0.576 37.803 38.460 -0.136 0.000 0.988 365 Y HN 0.328 nan 8.280 nan 0.000 0.546 366 G N -0.442 108.365 108.800 0.012 0.000 2.157 366 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.248 366 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.248 366 G C 0.134 174.969 174.900 -0.107 0.000 0.979 366 G CA 0.144 45.204 45.100 -0.067 0.000 0.650 366 G HN 0.297 nan 8.290 nan 0.000 0.529 367 L N -0.281 120.891 121.223 -0.085 0.000 2.439 367 L HA 0.519 4.859 4.340 -0.000 0.000 0.261 367 L C 0.835 177.740 176.870 0.058 0.000 1.153 367 L CA -0.374 54.416 54.840 -0.082 0.000 0.808 367 L CB 0.767 42.762 42.059 -0.105 0.000 1.126 367 L HN -0.013 nan 8.230 nan 0.000 0.460 368 K N 2.417 122.917 120.400 0.166 0.000 2.682 368 K HA 0.303 4.623 4.320 -0.000 0.000 0.189 368 K C -2.505 174.214 176.600 0.199 0.000 1.062 368 K CA -1.601 54.772 56.287 0.143 0.000 0.997 368 K CB 0.756 33.302 32.500 0.076 0.000 1.405 368 K HN 0.266 nan 8.250 nan 0.000 0.588 369 P HA -0.023 nan 4.420 nan 0.000 0.271 369 P C -0.220 177.039 177.300 -0.068 0.000 1.216 369 P CA 0.115 63.161 63.100 -0.090 0.000 0.771 369 P CB 1.002 32.647 31.700 -0.091 0.000 0.864 370 T N 0.311 114.805 114.554 -0.101 0.000 2.887 370 T HA 0.501 4.851 4.350 -0.000 0.000 0.288 370 T C 0.009 174.674 174.700 -0.058 0.000 1.021 370 T CA -1.197 60.873 62.100 -0.051 0.000 1.000 370 T CB 1.128 69.985 68.868 -0.018 0.000 1.034 370 T HN 0.245 nan 8.240 nan 0.000 0.467 371 R N 3.132 123.610 120.500 -0.036 0.000 2.272 371 R HA 0.259 4.599 4.340 -0.000 0.000 0.334 371 R C -1.965 174.327 176.300 -0.014 0.000 1.117 371 R CA -1.799 54.286 56.100 -0.025 0.000 0.966 371 R CB -0.027 30.262 30.300 -0.018 0.000 1.049 371 R HN 0.509 nan 8.270 nan 0.000 0.477 372 P HA -0.166 nan 4.420 nan 0.000 0.301 372 P C -1.067 176.234 177.300 0.002 0.000 1.445 372 P CA 0.981 64.079 63.100 -0.003 0.000 0.741 372 P CB -0.067 31.631 31.700 -0.003 0.000 1.426 373 D N -2.841 117.560 120.400 0.001 0.000 3.734 373 D HA 0.075 4.715 4.640 -0.000 0.000 0.350 373 D C 0.933 177.234 176.300 0.002 0.000 1.511 373 D CA -0.952 53.049 54.000 0.003 0.000 0.956 373 D CB 0.075 40.877 40.800 0.002 0.000 1.470 373 D HN -0.305 nan 8.370 nan 0.000 0.598 374 K N 0.353 120.754 120.400 0.002 0.000 2.346 374 K HA -0.292 4.027 4.320 -0.000 0.000 0.215 374 K C -0.194 176.406 176.600 -0.000 0.000 0.710 374 K CA 2.395 58.682 56.287 0.001 0.000 0.941 374 K CB -2.120 30.380 32.500 -0.000 0.000 0.509 374 K HN 0.848 nan 8.250 nan 0.000 0.900 375 T N 0.345 114.897 114.554 -0.004 0.000 2.539 375 T HA 0.088 4.438 4.350 -0.000 0.000 0.533 375 T C -1.378 173.317 174.700 -0.009 0.000 1.383 375 T CA 0.085 62.181 62.100 -0.006 0.000 2.091 375 T CB -0.065 68.802 68.868 -0.002 0.000 1.951 375 T HN 0.642 nan 8.240 nan 0.000 0.461 376 E N 0.155 120.348 120.200 -0.012 0.000 6.632 376 E HA 0.188 4.537 4.350 -0.000 0.000 0.186 376 E C 0.192 176.781 176.600 -0.018 0.000 1.124 376 E CA 2.232 58.623 56.400 -0.014 0.000 1.501 376 E CB -1.245 28.448 29.700 -0.011 0.000 0.946 376 E HN 1.942 nan 8.360 nan 0.000 0.306 377 G N 2.073 110.859 108.800 -0.023 0.000 2.250 377 G HA2 0.143 4.103 3.960 -0.000 0.000 0.252 377 G HA3 0.143 4.103 3.960 -0.000 0.000 0.252 377 G C -2.820 172.057 174.900 -0.038 0.000 1.325 377 G CA -0.249 44.834 45.100 -0.028 0.000 1.091 377 G HN 0.354 nan 8.290 nan 0.000 0.476 378 P HA 0.576 nan 4.420 nan 0.000 0.279 378 P C 0.455 177.716 177.300 -0.065 0.000 1.252 378 P CA -0.550 62.514 63.100 -0.061 0.000 0.811 378 P CB 0.693 32.356 31.700 -0.061 0.000 1.035 379 L N 0.461 121.627 121.223 -0.096 0.000 2.536 379 L HA 0.025 4.365 4.340 -0.000 0.000 0.294 379 L C 0.414 177.244 176.870 -0.066 0.000 1.257 379 L CA 0.127 54.906 54.840 -0.103 0.000 0.850 379 L CB -0.181 41.752 42.059 -0.211 0.000 1.105 379 L HN 0.116 nan 8.230 nan 0.000 0.517 380 V N 4.062 123.966 119.914 -0.018 0.000 2.370 380 V HA 0.368 4.488 4.120 -0.000 0.000 0.283 380 V C 0.177 176.314 176.094 0.072 0.000 1.023 380 V CA -0.321 61.990 62.300 0.018 0.000 0.857 380 V CB 1.469 33.309 31.823 0.029 0.000 0.985 380 V HN 0.428 nan 8.190 nan 0.000 0.443 381 I N 3.942 124.553 120.570 0.068 0.000 2.353 381 I HA 0.446 4.616 4.170 -0.000 0.000 0.293 381 I C 0.397 176.612 176.117 0.164 0.000 0.992 381 I CA 0.334 61.721 61.300 0.145 0.000 1.268 381 I CB 1.786 39.834 38.000 0.079 0.000 1.387 381 I HN 0.644 nan 8.210 nan 0.000 0.478 382 S N 3.869 119.704 115.700 0.226 0.000 2.568 382 S HA 0.367 4.837 4.470 -0.000 0.000 0.302 382 S C 0.363 175.146 174.600 0.304 0.000 1.082 382 S CA -0.596 57.738 58.200 0.224 0.000 1.009 382 S CB 1.441 64.749 63.200 0.180 0.000 1.069 382 S HN 0.674 nan 8.310 nan 0.000 0.500 383 E N 1.033 121.384 120.200 0.252 0.000 2.465 383 E HA 0.134 4.484 4.350 -0.000 0.000 0.191 383 E C -0.877 175.878 176.600 0.258 0.000 1.053 383 E CA 0.077 56.603 56.400 0.210 0.000 0.869 383 E CB 0.339 30.101 29.700 0.105 0.000 0.977 383 E HN 0.414 nan 8.360 nan 0.000 0.483 384 D N 0.674 121.224 120.400 0.249 0.000 2.481 384 D HA 0.068 4.708 4.640 -0.000 0.000 0.246 384 D C 0.256 176.579 176.300 0.038 0.000 1.109 384 D CA -0.450 53.643 54.000 0.154 0.000 0.845 384 D CB 1.857 42.721 40.800 0.106 0.000 1.160 384 D HN -0.037 nan 8.370 nan 0.000 0.534 385 L N 4.395 125.497 121.223 -0.202 0.000 2.217 385 L HA 0.111 4.450 4.340 -0.000 0.000 0.211 385 L C 0.798 177.617 176.870 -0.086 0.000 1.107 385 L CA 0.883 55.445 54.840 -0.464 0.000 0.783 385 L CB -0.497 41.012 42.059 -0.917 0.000 0.919 385 L HN 0.463 nan 8.230 nan 0.000 0.442 386 N N 0.088 118.888 118.700 0.166 0.000 2.365 386 N HA 0.048 4.787 4.740 -0.000 0.000 0.265 386 N C 0.975 176.475 175.510 -0.018 0.000 1.288 386 N CA 1.209 54.320 53.050 0.102 0.000 0.869 386 N CB 0.262 38.763 38.487 0.024 0.000 1.071 386 N HN 0.554 nan 8.380 nan 0.000 0.480 387 G N 2.623 111.377 108.800 -0.076 0.000 2.352 387 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.204 387 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.204 387 G C 0.059 174.903 174.900 -0.092 0.000 1.004 387 G CA -0.359 44.693 45.100 -0.081 0.000 0.648 387 G HN 0.507 nan 8.290 nan 0.000 0.491 388 L N 2.136 123.292 121.223 -0.110 0.000 2.479 388 L HA 0.547 4.887 4.340 -0.000 0.000 0.270 388 L C 0.897 177.677 176.870 -0.149 0.000 1.236 388 L CA 1.081 55.849 54.840 -0.119 0.000 0.823 388 L CB 0.718 42.683 42.059 -0.157 0.000 1.098 388 L HN 0.245 nan 8.230 nan 0.000 0.500 389 T N 1.561 116.059 114.554 -0.093 0.000 2.863 389 T HA 0.638 4.987 4.350 -0.000 0.000 0.285 389 T C -1.199 173.532 174.700 0.051 0.000 1.009 389 T CA -0.316 61.748 62.100 -0.060 0.000 0.989 389 T CB 1.274 70.117 68.868 -0.043 0.000 1.004 389 T HN 0.273 nan 8.240 nan 0.000 0.455 390 F N 2.866 122.721 119.950 -0.159 0.000 2.622 390 F HA 0.412 4.939 4.527 -0.000 0.000 0.318 390 F C -0.272 175.481 175.800 -0.079 0.000 1.135 390 F CA -1.249 56.686 58.000 -0.108 0.000 1.015 390 F CB 0.870 39.816 39.000 -0.091 0.000 1.275 390 F HN 0.558 nan 8.300 nan 0.000 0.457 391 L N 6.300 127.125 121.223 -0.664 0.000 3.717 391 L HA -0.353 3.987 4.340 -0.000 0.000 0.414 391 L C 0.759 177.475 176.870 -0.256 0.000 1.228 391 L CA 1.129 55.644 54.840 -0.542 0.000 0.918 391 L CB -1.233 40.540 42.059 -0.477 0.000 1.865 391 L HN 0.945 nan 8.230 nan 0.000 0.922 392 R N -2.329 118.060 120.500 -0.185 0.000 3.963 392 R HA -0.133 4.207 4.340 -0.000 0.000 0.394 392 R C 0.265 176.532 176.300 -0.055 0.000 1.131 392 R CA 1.526 57.568 56.100 -0.096 0.000 1.059 392 R CB -0.889 29.364 30.300 -0.079 0.000 1.614 392 R HN 0.515 nan 8.270 nan 0.000 0.546 393 R N 0.309 120.774 120.500 -0.059 0.000 2.599 393 R HA 0.314 4.654 4.340 -0.000 0.000 0.295 393 R C -0.478 175.757 176.300 -0.110 0.000 0.963 393 R CA -0.687 55.382 56.100 -0.053 0.000 0.883 393 R CB 1.852 32.144 30.300 -0.013 0.000 1.171 393 R HN -0.096 nan 8.270 nan 0.000 0.450 394 T N 2.434 116.903 114.554 -0.141 0.000 2.779 394 T HA 0.082 4.432 4.350 -0.000 0.000 0.296 394 T C 0.453 174.953 174.700 -0.332 0.000 0.938 394 T CA -0.409 61.570 62.100 -0.201 0.000 1.119 394 T CB 0.683 69.449 68.868 -0.171 0.000 0.891 394 T HN 0.171 nan 8.240 nan 0.000 0.526 395 V N 5.514 125.186 119.914 -0.403 0.000 2.446 395 V HA 0.199 4.319 4.120 -0.000 0.000 0.276 395 V C 0.692 176.603 176.094 -0.305 0.000 1.030 395 V CA 0.076 62.031 62.300 -0.575 0.000 1.033 395 V CB -0.072 31.292 31.823 -0.766 0.000 0.993 395 V HN 0.983 nan 8.190 nan 0.000 0.477 396 T N 5.452 119.790 114.554 -0.360 0.000 2.848 396 T HA 0.511 4.861 4.350 -0.000 0.000 0.285 396 T C -0.353 174.108 174.700 -0.399 0.000 0.995 396 T CA -0.724 61.106 62.100 -0.450 0.000 0.970 396 T CB 1.780 70.097 68.868 -0.917 0.000 0.976 396 T HN 0.523 nan 8.240 nan 0.000 0.441 397 R N 3.175 123.306 120.500 -0.615 0.000 2.229 397 R HA 0.479 4.819 4.340 -0.000 0.000 0.332 397 R C -0.666 175.457 176.300 -0.295 0.000 0.989 397 R CA -0.850 54.722 56.100 -0.880 0.000 0.842 397 R CB -0.032 29.419 30.300 -1.416 0.000 1.119 397 R HN 0.803 nan 8.270 nan 0.000 0.456 398 D N 3.683 124.059 120.400 -0.040 0.000 2.494 398 D HA 0.398 5.038 4.640 -0.000 0.000 0.259 398 D C -1.873 174.395 176.300 -0.053 0.000 1.109 398 D CA -2.158 51.856 54.000 0.023 0.000 1.040 398 D CB 0.519 41.421 40.800 0.169 0.000 1.175 398 D HN 0.226 nan 8.370 nan 0.000 0.584 399 P HA -0.003 nan 4.420 nan 0.000 0.223 399 P C 0.878 178.186 177.300 0.013 0.000 1.144 399 P CA 1.734 64.825 63.100 -0.015 0.000 0.783 399 P CB 0.007 31.709 31.700 0.002 0.000 0.771 400 A N -1.485 121.371 122.820 0.059 0.000 2.123 400 A HA 0.477 4.796 4.320 -0.000 0.000 0.214 400 A C 1.246 178.887 177.584 0.095 0.000 1.152 400 A CA 1.240 53.353 52.037 0.127 0.000 0.728 400 A CB -0.564 18.634 19.000 0.331 0.000 0.814 400 A HN 0.341 nan 8.150 nan 0.000 0.464 401 G N -2.607 106.197 108.800 0.006 0.000 2.278 401 G HA2 0.144 4.104 3.960 -0.000 0.000 0.265 401 G HA3 0.144 4.104 3.960 -0.000 0.000 0.265 401 G C -1.504 173.355 174.900 -0.068 0.000 1.329 401 G CA -0.627 44.466 45.100 -0.011 0.000 1.017 401 G HN 0.355 nan 8.290 nan 0.000 0.472 402 W N 0.633 122.074 121.300 0.234 0.000 2.496 402 W HA 0.763 5.423 4.660 0.000 0.000 0.327 402 W C 0.125 176.920 176.519 0.461 0.000 1.086 402 W CA -0.116 57.409 57.345 0.300 0.000 1.222 402 W CB 1.499 31.117 29.460 0.263 0.000 1.304 402 W HN 0.710 nan 8.180 nan 0.000 0.547 403 F N 0.325 120.502 119.950 0.377 0.000 2.773 403 F HA 0.842 5.369 4.527 -0.001 0.000 0.314 403 F C -0.601 175.332 175.800 0.221 0.000 1.160 403 F CA -2.262 55.911 58.000 0.288 0.000 0.920 403 F CB 0.640 39.669 39.000 0.048 0.000 1.323 403 F HN 0.439 nan 8.300 nan 0.000 0.457 404 G N 1.578 110.466 108.800 0.147 0.000 2.417 404 G HA2 0.583 4.543 3.960 -0.000 0.000 0.320 404 G HA3 0.583 4.543 3.960 -0.000 0.000 0.320 404 G C -1.727 173.129 174.900 -0.072 0.000 1.204 404 G CA -1.007 44.057 45.100 -0.059 0.000 0.923 404 G HN 0.642 nan 8.290 nan 0.000 0.466 405 K N 2.006 122.268 120.400 -0.230 0.000 2.235 405 K HA 0.320 4.640 4.320 -0.000 0.000 0.266 405 K C -0.524 176.079 176.600 0.006 0.000 0.980 405 K CA -0.840 55.374 56.287 -0.121 0.000 0.849 405 K CB 2.360 34.631 32.500 -0.381 0.000 1.098 405 K HN 0.273 nan 8.250 nan 0.000 0.445 406 L N 2.683 123.993 121.223 0.145 0.000 2.483 406 L HA -0.011 4.329 4.340 -0.000 0.000 0.276 406 L C 0.263 177.251 176.870 0.197 0.000 1.213 406 L CA 0.688 55.621 54.840 0.155 0.000 0.843 406 L CB 0.224 42.395 42.059 0.188 0.000 1.107 406 L HN 0.539 nan 8.230 nan 0.000 0.487 407 E N 2.647 122.894 120.200 0.078 0.000 2.376 407 E HA -0.037 4.313 4.350 -0.000 0.000 0.266 407 E C 0.713 177.279 176.600 -0.057 0.000 1.009 407 E CA 0.127 56.538 56.400 0.018 0.000 0.902 407 E CB 0.577 30.262 29.700 -0.025 0.000 0.972 407 E HN 0.572 nan 8.360 nan 0.000 0.439 408 Q N 1.308 120.952 119.800 -0.260 0.000 2.077 408 Q HA -0.232 4.108 4.340 -0.000 0.000 0.206 408 Q C 2.195 178.149 176.000 -0.077 0.000 0.989 408 Q CA 1.983 57.503 55.803 -0.472 0.000 0.853 408 Q CB -0.137 28.084 28.738 -0.862 0.000 0.907 408 Q HN 0.635 nan 8.270 nan 0.000 0.418 409 S N -0.320 115.332 115.700 -0.081 0.000 2.419 409 S HA -0.144 4.326 4.470 -0.000 0.000 0.233 409 S C 1.990 176.555 174.600 -0.057 0.000 1.016 409 S CA 1.429 59.601 58.200 -0.046 0.000 0.974 409 S CB -0.167 62.976 63.200 -0.095 0.000 0.786 409 S HN 0.270 nan 8.310 nan 0.000 0.492 410 S N 0.803 116.471 115.700 -0.054 0.000 2.446 410 S HA 0.198 4.668 4.470 -0.000 0.000 0.225 410 S C 1.702 176.330 174.600 0.046 0.000 1.016 410 S CA 0.412 58.590 58.200 -0.037 0.000 0.943 410 S CB -0.544 62.638 63.200 -0.030 0.000 0.786 410 S HN 0.620 nan 8.310 nan 0.000 0.508 411 I N 1.066 121.692 120.570 0.094 0.000 2.286 411 I HA -0.106 4.063 4.170 -0.000 0.000 0.245 411 I C 2.228 178.411 176.117 0.109 0.000 1.104 411 I CA 0.843 62.228 61.300 0.140 0.000 1.397 411 I CB -0.368 37.782 38.000 0.251 0.000 1.072 411 I HN 0.275 nan 8.210 nan 0.000 0.417 412 L N 0.469 121.780 121.223 0.146 0.000 1.989 412 L HA -0.259 4.081 4.340 -0.000 0.000 0.211 412 L C 2.803 179.766 176.870 0.156 0.000 1.071 412 L CA 1.488 56.401 54.840 0.121 0.000 0.749 412 L CB -0.584 41.601 42.059 0.209 0.000 0.890 412 L HN 0.192 nan 8.230 nan 0.000 0.431 413 R N -0.081 120.532 120.500 0.188 0.000 2.165 413 R HA -0.274 4.066 4.340 -0.000 0.000 0.254 413 R C 2.151 178.647 176.300 0.327 0.000 1.153 413 R CA 2.112 58.374 56.100 0.271 0.000 0.971 413 R CB -0.145 30.210 30.300 0.091 0.000 0.878 413 R HN 0.511 nan 8.270 nan 0.000 0.449 414 Q N -1.166 118.744 119.800 0.183 0.000 2.424 414 Q HA 0.001 4.341 4.340 -0.000 0.000 0.204 414 Q C 1.838 177.877 176.000 0.066 0.000 0.933 414 Q CA 0.316 56.227 55.803 0.179 0.000 0.929 414 Q CB 0.271 29.093 28.738 0.141 0.000 1.037 414 Q HN 0.301 nan 8.270 nan 0.000 0.511 415 M N -0.674 118.869 119.600 -0.096 0.000 2.159 415 M HA -0.135 4.344 4.480 -0.000 0.000 0.263 415 M C 1.069 177.130 176.300 -0.398 0.000 1.063 415 M CA 1.702 56.789 55.300 -0.355 0.000 1.110 415 M CB -0.623 31.573 32.600 -0.672 0.000 1.374 415 M HN 0.249 nan 8.290 nan 0.000 0.411 416 Y N -3.075 117.200 120.300 -0.042 0.000 2.497 416 Y HA 0.069 4.618 4.550 -0.001 0.000 0.265 416 Y C 0.119 175.817 175.900 -0.338 0.000 1.111 416 Y CA -0.531 57.422 58.100 -0.245 0.000 1.288 416 Y CB -0.017 38.207 38.460 -0.393 0.000 1.082 416 Y HN 0.095 nan 8.280 nan 0.000 0.536 417 W N -0.203 121.241 121.300 0.239 0.000 2.656 417 W HA 0.552 5.211 4.660 -0.001 0.000 0.327 417 W C 0.026 176.729 176.519 0.307 0.000 1.041 417 W CA -0.838 56.678 57.345 0.285 0.000 1.229 417 W CB 1.697 31.297 29.460 0.234 0.000 1.397 417 W HN -0.437 nan 8.180 nan 0.000 0.479 418 T N 2.301 117.206 114.554 0.585 0.000 2.942 418 T HA 0.626 4.975 4.350 -0.000 0.000 0.289 418 T C -0.465 174.534 174.700 0.498 0.000 1.044 418 T CA -0.821 61.546 62.100 0.444 0.000 1.023 418 T CB 0.922 69.947 68.868 0.261 0.000 1.123 418 T HN 0.420 nan 8.240 nan 0.000 0.512 419 R N 1.264 121.956 120.500 0.319 0.000 2.346 419 R HA 0.654 4.993 4.340 -0.000 0.000 0.311 419 R C 0.320 176.640 176.300 0.033 0.000 0.983 419 R CA -0.773 55.399 56.100 0.121 0.000 0.880 419 R CB 1.622 31.900 30.300 -0.037 0.000 1.100 419 R HN 0.787 nan 8.270 nan 0.000 0.453 420 G N 2.624 111.433 108.800 0.014 0.000 3.137 420 G HA2 0.482 4.442 3.960 -0.000 0.000 0.196 420 G HA3 0.482 4.442 3.960 -0.000 0.000 0.196 420 G C -2.719 172.168 174.900 -0.021 0.000 1.135 420 G CA -0.751 44.199 45.100 -0.250 0.000 0.803 420 G HN 0.325 nan 8.290 nan 0.000 0.619 421 P HA 0.234 nan 4.420 nan 0.000 0.274 421 P C -0.502 177.013 177.300 0.358 0.000 1.246 421 P CA -0.460 62.735 63.100 0.159 0.000 0.795 421 P CB 0.489 32.263 31.700 0.123 0.000 1.006 422 N N 0.710 119.540 118.700 0.217 0.000 2.458 422 N HA 0.138 4.877 4.740 -0.000 0.000 0.258 422 N C 0.108 175.774 175.510 0.261 0.000 1.219 422 N CA 0.179 53.350 53.050 0.203 0.000 0.902 422 N CB -0.007 38.548 38.487 0.113 0.000 1.076 422 N HN 0.683 nan 8.380 nan 0.000 0.455 423 H N -1.510 117.533 119.070 -0.044 0.000 2.960 423 H HA 0.303 4.859 4.556 -0.001 0.000 0.323 423 H C -0.514 174.707 175.328 -0.178 0.000 1.326 423 H CA -0.901 55.056 56.048 -0.153 0.000 1.124 423 H CB 1.334 30.863 29.762 -0.388 0.000 1.853 423 H HN 0.358 nan 8.280 nan 0.000 0.536 424 E N -0.589 119.436 120.200 -0.291 0.000 2.364 424 E HA 0.005 4.355 4.350 -0.000 0.000 0.196 424 E C -0.494 175.874 176.600 -0.387 0.000 0.990 424 E CA 0.309 56.544 56.400 -0.275 0.000 0.886 424 E CB 0.645 30.256 29.700 -0.148 0.000 0.866 424 E HN 0.393 nan 8.360 nan 0.000 0.493 425 D N 0.101 120.143 120.400 -0.596 0.000 2.454 425 D HA 0.136 4.776 4.640 -0.000 0.000 0.247 425 D C -2.119 173.812 176.300 -0.614 0.000 1.129 425 D CA -2.570 51.168 54.000 -0.437 0.000 0.877 425 D CB 1.437 42.102 40.800 -0.225 0.000 1.082 425 D HN -0.235 nan 8.370 nan 0.000 0.537 426 P HA -0.121 nan 4.420 nan 0.000 0.220 426 P C 1.232 178.662 177.300 0.216 0.000 1.148 426 P CA 0.850 63.914 63.100 -0.060 0.000 0.803 426 P CB 0.113 31.884 31.700 0.118 0.000 0.782 427 S N -1.443 114.334 115.700 0.128 0.000 2.547 427 S HA -0.095 4.374 4.470 -0.000 0.000 0.235 427 S C 0.728 175.407 174.600 0.131 0.000 0.980 427 S CA 0.286 58.565 58.200 0.133 0.000 0.941 427 S CB -1.093 62.159 63.200 0.088 0.000 0.763 427 S HN 0.224 nan 8.310 nan 0.000 0.532 428 E N 1.816 122.106 120.200 0.150 0.000 2.384 428 E HA 0.168 4.517 4.350 -0.000 0.000 0.266 428 E C -0.265 176.595 176.600 0.434 0.000 1.012 428 E CA 0.034 56.587 56.400 0.256 0.000 0.901 428 E CB 0.564 30.397 29.700 0.221 0.000 0.967 428 E HN 0.147 nan 8.360 nan 0.000 0.435 429 T N 2.892 117.662 114.554 0.361 0.000 2.882 429 T HA 0.377 4.726 4.350 -0.000 0.000 0.287 429 T C -0.146 174.760 174.700 0.344 0.000 1.014 429 T CA -0.084 62.195 62.100 0.298 0.000 1.049 429 T CB 0.449 69.412 68.868 0.159 0.000 1.001 429 T HN 0.327 nan 8.240 nan 0.000 0.525 430 M N 4.099 123.813 119.600 0.190 0.000 2.277 430 M HA 0.387 4.867 4.480 -0.000 0.000 0.282 430 M C -0.684 175.602 176.300 -0.023 0.000 1.074 430 M CA -1.016 54.280 55.300 -0.006 0.000 0.954 430 M CB 1.235 33.711 32.600 -0.206 0.000 1.672 430 M HN 0.505 nan 8.290 nan 0.000 0.471 431 I N 2.658 123.198 120.570 -0.049 0.000 2.775 431 I HA 0.255 4.424 4.170 -0.000 0.000 0.290 431 I C -2.323 173.761 176.117 -0.054 0.000 1.203 431 I CA -1.350 59.926 61.300 -0.041 0.000 1.433 431 I CB -0.820 37.159 38.000 -0.036 0.000 1.354 431 I HN 0.452 nan 8.210 nan 0.000 0.579 432 P HA 0.024 nan 4.420 nan 0.000 0.258 432 P C -0.516 176.727 177.300 -0.095 0.000 1.172 432 P CA 0.583 63.610 63.100 -0.121 0.000 0.762 432 P CB 0.043 31.676 31.700 -0.112 0.000 0.764 433 H N -0.269 118.765 119.070 -0.061 0.000 2.544 433 H HA 0.314 4.870 4.556 -0.000 0.000 0.365 433 H C 1.279 176.595 175.328 -0.019 0.000 1.268 433 H CA -0.381 55.633 56.048 -0.056 0.000 1.400 433 H CB 0.137 29.849 29.762 -0.083 0.000 1.538 433 H HN 0.266 nan 8.280 nan 0.000 0.597 434 S N -0.799 114.989 115.700 0.147 0.000 2.442 434 S HA -0.195 4.275 4.470 -0.000 0.000 0.236 434 S C 1.376 176.025 174.600 0.082 0.000 1.007 434 S CA 1.050 59.302 58.200 0.087 0.000 0.965 434 S CB -0.277 62.974 63.200 0.086 0.000 0.773 434 S HN 0.734 nan 8.310 nan 0.000 0.504 435 Q N 0.045 119.941 119.800 0.161 0.000 2.319 435 Q HA 0.256 4.596 4.340 -0.000 0.000 0.202 435 Q C 1.906 177.873 176.000 -0.054 0.000 0.896 435 Q CA 0.021 55.892 55.803 0.114 0.000 0.942 435 Q CB 0.166 29.044 28.738 0.234 0.000 1.083 435 Q HN 0.517 nan 8.270 nan 0.000 0.510 436 R N 1.446 121.726 120.500 -0.368 0.000 2.075 436 R HA -0.042 4.298 4.340 -0.000 0.000 0.232 436 R C -0.988 175.219 176.300 -0.155 0.000 1.126 436 R CA 1.274 57.158 56.100 -0.360 0.000 0.963 436 R CB -1.109 28.865 30.300 -0.543 0.000 0.858 436 R HN 0.135 nan 8.270 nan 0.000 0.435 437 P HA -0.069 nan 4.420 nan 0.000 0.218 437 P C 0.931 178.289 177.300 0.097 0.000 1.149 437 P CA 1.261 64.383 63.100 0.036 0.000 0.817 437 P CB -0.019 31.805 31.700 0.207 0.000 0.785 438 I N -0.736 119.882 120.570 0.080 0.000 2.252 438 I HA -0.237 3.932 4.170 -0.000 0.000 0.245 438 I C 2.704 178.863 176.117 0.069 0.000 1.102 438 I CA 1.388 62.742 61.300 0.091 0.000 1.385 438 I CB -0.658 37.392 38.000 0.083 0.000 1.064 438 I HN 0.011 nan 8.210 nan 0.000 0.414 439 Q N 0.876 120.699 119.800 0.039 0.000 2.084 439 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 439 Q C 2.318 178.323 176.000 0.008 0.000 0.978 439 Q CA 1.527 57.354 55.803 0.040 0.000 0.844 439 Q CB 0.074 28.837 28.738 0.042 0.000 0.898 439 Q HN 0.316 nan 8.270 nan 0.000 0.426 440 L N 0.316 121.502 121.223 -0.061 0.000 2.131 440 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 440 L C 2.320 179.135 176.870 -0.092 0.000 1.092 440 L CA 1.495 56.244 54.840 -0.152 0.000 0.759 440 L CB -0.780 41.070 42.059 -0.347 0.000 0.903 440 L HN 0.382 nan 8.230 nan 0.000 0.435 441 M N -1.254 118.364 119.600 0.031 0.000 2.132 441 M HA -0.143 4.336 4.480 -0.000 0.000 0.263 441 M C 2.426 178.810 176.300 0.139 0.000 1.065 441 M CA 1.527 56.925 55.300 0.164 0.000 1.122 441 M CB -0.438 32.299 32.600 0.228 0.000 1.365 441 M HN 0.096 nan 8.290 nan 0.000 0.411 442 S N 0.231 115.995 115.700 0.106 0.000 2.383 442 S HA -0.098 4.372 4.470 -0.000 0.000 0.229 442 S C 1.840 176.503 174.600 0.106 0.000 1.030 442 S CA 1.382 59.645 58.200 0.103 0.000 1.002 442 S CB -0.518 62.741 63.200 0.099 0.000 0.829 442 S HN 0.514 nan 8.310 nan 0.000 0.467 443 L N 0.666 121.937 121.223 0.080 0.000 2.093 443 L HA -0.054 4.285 4.340 -0.000 0.000 0.208 443 L C 2.221 179.147 176.870 0.093 0.000 1.085 443 L CA 0.856 55.742 54.840 0.076 0.000 0.755 443 L CB -0.425 41.644 42.059 0.017 0.000 0.904 443 L HN 0.287 nan 8.230 nan 0.000 0.435 444 L N -0.546 120.720 121.223 0.072 0.000 2.046 444 L HA -0.158 4.181 4.340 -0.000 0.000 0.208 444 L C 2.634 179.710 176.870 0.342 0.000 1.077 444 L CA 1.461 56.373 54.840 0.120 0.000 0.747 444 L CB -0.988 41.131 42.059 0.100 0.000 0.896 444 L HN 0.312 nan 8.230 nan 0.000 0.432 445 G N -0.778 108.189 108.800 0.279 0.000 2.440 445 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.218 445 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.218 445 G C 1.448 176.473 174.900 0.208 0.000 1.154 445 G CA 0.513 45.761 45.100 0.247 0.000 0.767 445 G HN 0.295 nan 8.290 nan 0.000 0.552 446 E N 0.727 121.050 120.200 0.206 0.000 2.150 446 E HA -0.004 4.346 4.350 -0.000 0.000 0.193 446 E C 2.871 179.729 176.600 0.430 0.000 0.985 446 E CA 0.852 57.407 56.400 0.260 0.000 0.814 446 E CB -0.298 29.547 29.700 0.242 0.000 0.752 446 E HN 0.400 nan 8.360 nan 0.000 0.466 447 A N 1.497 124.587 122.820 0.451 0.000 1.930 447 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 447 A C 2.426 180.426 177.584 0.693 0.000 1.175 447 A CA 1.575 53.988 52.037 0.625 0.000 0.627 447 A CB -0.434 18.741 19.000 0.291 0.000 0.815 447 A HN 0.248 nan 8.150 nan 0.000 0.443 448 A N 0.023 123.193 122.820 0.583 0.000 1.978 448 A HA -0.093 4.226 4.320 -0.000 0.000 0.220 448 A C 2.031 179.910 177.584 0.492 0.000 1.170 448 A CA 1.486 53.759 52.037 0.394 0.000 0.636 448 A CB -0.659 18.445 19.000 0.173 0.000 0.810 448 A HN 0.495 nan 8.150 nan 0.000 0.448 449 L N -1.131 120.357 121.223 0.441 0.000 2.353 449 L HA -0.159 4.181 4.340 -0.000 0.000 0.220 449 L C 1.898 178.983 176.870 0.357 0.000 1.133 449 L CA 0.809 55.905 54.840 0.427 0.000 0.798 449 L CB -0.573 41.650 42.059 0.273 0.000 0.922 449 L HN 0.509 nan 8.230 nan 0.000 0.445 450 H N -0.313 118.970 119.070 0.355 0.000 2.539 450 H HA 0.223 4.778 4.556 -0.000 0.000 0.269 450 H C 1.166 176.615 175.328 0.202 0.000 0.980 450 H CA 0.676 56.863 56.048 0.231 0.000 1.152 450 H CB 0.506 30.355 29.762 0.146 0.000 1.407 450 H HN 0.367 nan 8.280 nan 0.000 0.564 451 G N 1.472 110.440 108.800 0.279 0.000 2.756 451 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.678 451 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.678 451 G C -1.745 173.268 174.900 0.189 0.000 1.349 451 G CA -0.326 44.842 45.100 0.114 0.000 0.847 451 G HN 0.023 nan 8.290 nan 0.000 0.548 452 P HA -0.090 nan 4.420 nan 0.000 0.215 452 P C 2.124 179.540 177.300 0.193 0.000 1.153 452 P CA 2.928 66.108 63.100 0.134 0.000 0.853 452 P CB -0.233 31.501 31.700 0.057 0.000 0.788 453 A N -0.238 122.682 122.820 0.167 0.000 1.865 453 A HA -0.217 4.102 4.320 -0.000 0.000 0.217 453 A C 2.212 179.923 177.584 0.212 0.000 1.191 453 A CA 1.696 53.829 52.037 0.161 0.000 0.623 453 A CB -1.889 17.195 19.000 0.139 0.000 0.826 453 A HN 0.113 nan 8.150 nan 0.000 0.444 454 F N -1.126 118.892 119.950 0.113 0.000 2.134 454 F HA -0.161 4.366 4.527 -0.001 0.000 0.299 454 F C 2.129 178.001 175.800 0.120 0.000 1.097 454 F CA 1.522 59.576 58.000 0.090 0.000 1.264 454 F CB -0.693 38.356 39.000 0.081 0.000 1.001 454 F HN 0.389 nan 8.300 nan 0.000 0.479 455 Y N 0.387 120.732 120.300 0.075 0.000 2.165 455 Y HA -0.277 4.274 4.550 0.000 0.000 0.286 455 Y C 2.714 178.567 175.900 -0.079 0.000 1.155 455 Y CA 2.034 60.130 58.100 -0.007 0.000 1.164 455 Y CB -0.848 37.668 38.460 0.093 0.000 0.978 455 Y HN 0.030 nan 8.280 nan 0.000 0.513 456 S N -0.042 115.677 115.700 0.032 0.000 2.359 456 S HA -0.260 4.209 4.470 -0.000 0.000 0.224 456 S C 2.023 176.531 174.600 -0.153 0.000 1.035 456 S CA 1.635 59.806 58.200 -0.049 0.000 1.018 456 S CB -0.405 62.812 63.200 0.028 0.000 0.876 456 S HN 0.472 nan 8.310 nan 0.000 0.448 457 K N 0.840 121.137 120.400 -0.173 0.000 2.020 457 K HA -0.140 4.180 4.320 -0.000 0.000 0.212 457 K C 1.890 178.289 176.600 -0.336 0.000 1.050 457 K CA 1.627 57.780 56.287 -0.223 0.000 0.929 457 K CB -0.261 32.103 32.500 -0.226 0.000 0.714 457 K HN 0.196 nan 8.250 nan 0.000 0.443 458 I N 1.354 121.611 120.570 -0.522 0.000 2.226 458 I HA -0.211 3.958 4.170 -0.000 0.000 0.245 458 I C 2.304 178.184 176.117 -0.395 0.000 1.100 458 I CA 1.249 62.248 61.300 -0.501 0.000 1.374 458 I CB -1.323 36.330 38.000 -0.579 0.000 1.057 458 I HN 0.192 nan 8.210 nan 0.000 0.413 459 S N 0.813 116.262 115.700 -0.420 0.000 2.348 459 S HA -0.181 4.289 4.470 -0.000 0.000 0.221 459 S C 1.942 176.426 174.600 -0.194 0.000 1.033 459 S CA 1.206 59.211 58.200 -0.325 0.000 1.010 459 S CB -0.185 62.813 63.200 -0.336 0.000 0.891 459 S HN 0.410 nan 8.310 nan 0.000 0.442 460 K N 0.775 121.076 120.400 -0.165 0.000 2.059 460 K HA -0.146 4.174 4.320 -0.000 0.000 0.212 460 K C 2.012 178.535 176.600 -0.128 0.000 1.050 460 K CA 1.373 57.592 56.287 -0.113 0.000 0.927 460 K CB -0.470 31.974 32.500 -0.094 0.000 0.714 460 K HN 0.313 nan 8.250 nan 0.000 0.447 461 L N 0.205 121.319 121.223 -0.182 0.000 2.072 461 L HA -0.150 4.190 4.340 -0.000 0.000 0.205 461 L C 2.370 179.108 176.870 -0.220 0.000 1.079 461 L CA 0.620 55.337 54.840 -0.204 0.000 0.752 461 L CB -0.379 41.508 42.059 -0.286 0.000 0.906 461 L HN -0.024 nan 8.230 nan 0.000 0.436 462 V N 0.145 119.906 119.914 -0.256 0.000 2.295 462 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 462 V C 2.427 178.392 176.094 -0.215 0.000 1.049 462 V CA 1.525 63.643 62.300 -0.304 0.000 1.024 462 V CB -0.325 31.256 31.823 -0.404 0.000 0.648 462 V HN 0.271 nan 8.190 nan 0.000 0.447 463 I N 0.522 121.023 120.570 -0.116 0.000 2.202 463 I HA -0.192 3.978 4.170 -0.000 0.000 0.242 463 I C 2.755 178.847 176.117 -0.041 0.000 1.091 463 I CA 1.920 63.204 61.300 -0.026 0.000 1.368 463 I CB -1.743 36.262 38.000 0.009 0.000 1.058 463 I HN 0.309 nan 8.210 nan 0.000 0.410 464 A N 0.435 123.218 122.820 -0.061 0.000 1.908 464 A HA -0.262 4.057 4.320 -0.000 0.000 0.218 464 A C 2.391 179.943 177.584 -0.054 0.000 1.181 464 A CA 2.021 54.029 52.037 -0.048 0.000 0.627 464 A CB -0.717 18.254 19.000 -0.048 0.000 0.818 464 A HN 0.532 nan 8.150 nan 0.000 0.445 465 E N -0.314 119.834 120.200 -0.088 0.000 2.017 465 E HA -0.161 4.188 4.350 -0.000 0.000 0.193 465 E C 1.942 178.500 176.600 -0.070 0.000 0.997 465 E CA 1.274 57.620 56.400 -0.090 0.000 0.804 465 E CB -0.223 29.392 29.700 -0.141 0.000 0.757 465 E HN 0.579 nan 8.360 nan 0.000 0.448 466 L N 0.894 122.069 121.223 -0.081 0.000 2.191 466 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 466 L C 2.697 179.562 176.870 -0.008 0.000 1.103 466 L CA 1.067 55.882 54.840 -0.042 0.000 0.769 466 L CB -0.247 41.799 42.059 -0.022 0.000 0.908 466 L HN 0.111 nan 8.230 nan 0.000 0.438 467 K N 0.177 120.572 120.400 -0.008 0.000 2.116 467 K HA -0.187 4.133 4.320 -0.000 0.000 0.203 467 K C 2.020 178.616 176.600 -0.007 0.000 1.052 467 K CA 1.013 57.299 56.287 -0.001 0.000 0.952 467 K CB 0.076 32.575 32.500 -0.001 0.000 0.729 467 K HN 0.258 nan 8.250 nan 0.000 0.446 468 E N -0.322 119.871 120.200 -0.012 0.000 2.110 468 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 468 E C 1.382 177.978 176.600 -0.007 0.000 0.988 468 E CA 1.213 57.608 56.400 -0.009 0.000 0.804 468 E CB -0.070 29.624 29.700 -0.010 0.000 0.745 468 E HN 0.480 nan 8.360 nan 0.000 0.458 469 G N -0.861 107.932 108.800 -0.012 0.000 3.181 469 G HA2 0.179 4.139 3.960 -0.000 0.000 0.219 469 G HA3 0.179 4.139 3.960 -0.000 0.000 0.219 469 G C 0.887 175.782 174.900 -0.009 0.000 1.182 469 G CA 0.287 45.380 45.100 -0.012 0.000 0.791 469 G HN 0.439 nan 8.290 nan 0.000 0.537 470 G N -0.739 108.057 108.800 -0.007 0.000 2.141 470 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.242 470 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.242 470 G C 0.193 175.089 174.900 -0.007 0.000 0.982 470 G CA 0.372 45.468 45.100 -0.007 0.000 0.662 470 G HN 0.442 nan 8.290 nan 0.000 0.527 471 M N 1.538 121.139 119.600 0.001 0.000 2.456 471 M HA 0.465 4.945 4.480 -0.000 0.000 0.324 471 M C -1.110 175.206 176.300 0.026 0.000 1.124 471 M CA -0.582 54.722 55.300 0.007 0.000 0.959 471 M CB 1.274 33.889 32.600 0.025 0.000 1.692 471 M HN 0.292 nan 8.290 nan 0.000 0.444 472 D N 3.237 123.639 120.400 0.003 0.000 2.485 472 D HA 0.267 4.907 4.640 -0.000 0.000 0.221 472 D C -0.574 175.745 176.300 0.033 0.000 1.112 472 D CA -0.342 53.668 54.000 0.017 0.000 0.911 472 D CB -0.009 40.776 40.800 -0.025 0.000 1.019 472 D HN 0.291 nan 8.370 nan 0.000 0.516 473 F N 3.297 123.240 119.950 -0.011 0.000 2.518 473 F HA 0.174 4.701 4.527 -0.001 0.000 0.359 473 F C -0.228 175.681 175.800 0.181 0.000 1.118 473 F CA -0.642 57.414 58.000 0.094 0.000 1.287 473 F CB 0.481 39.535 39.000 0.090 0.000 1.132 473 F HN 0.313 nan 8.300 nan 0.000 0.587 474 Y N 4.925 124.740 120.300 -0.807 0.000 2.518 474 Y HA 0.539 5.088 4.550 -0.000 0.000 0.344 474 Y C -0.736 174.773 175.900 -0.651 0.000 0.982 474 Y CA -2.526 55.230 58.100 -0.573 0.000 1.234 474 Y CB -1.105 37.095 38.460 -0.433 0.000 1.114 474 Y HN 0.225 nan 8.280 nan 0.000 0.515 475 V N 6.960 126.842 119.914 -0.054 0.000 2.432 475 V HA 0.263 4.383 4.120 -0.000 0.000 0.271 475 V C -1.783 174.314 176.094 0.006 0.000 1.046 475 V CA -1.467 60.890 62.300 0.096 0.000 0.945 475 V CB 0.595 32.526 31.823 0.179 0.000 0.992 475 V HN 0.594 nan 8.190 nan 0.000 0.471 476 P HA 0.220 nan 4.420 nan 0.000 0.271 476 P C 0.154 177.477 177.300 0.038 0.000 1.218 476 P CA -0.520 62.498 63.100 -0.136 0.000 0.780 476 P CB 0.433 31.948 31.700 -0.309 0.000 0.901 477 R N 2.193 122.649 120.500 -0.074 0.000 2.638 477 R HA -0.083 4.257 4.340 -0.000 0.000 0.268 477 R C 1.503 177.748 176.300 -0.091 0.000 1.006 477 R CA 0.285 56.368 56.100 -0.028 0.000 1.088 477 R CB 0.310 30.564 30.300 -0.077 0.000 0.950 477 R HN 0.605 nan 8.270 nan 0.000 0.419 478 Q N 2.875 122.574 119.800 -0.167 0.000 2.061 478 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 478 Q C 1.021 176.882 176.000 -0.232 0.000 0.984 478 Q CA 2.121 57.607 55.803 -0.528 0.000 0.846 478 Q CB 0.169 28.695 28.738 -0.354 0.000 0.902 478 Q HN 0.577 nan 8.270 nan 0.000 0.421 479 E N 0.135 120.284 120.200 -0.084 0.000 2.051 479 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 479 E C -0.836 175.843 176.600 0.131 0.000 0.991 479 E CA 1.770 58.183 56.400 0.023 0.000 0.799 479 E CB -0.906 28.801 29.700 0.011 0.000 0.748 479 E HN 0.444 nan 8.360 nan 0.000 0.449 480 P HA -0.128 nan 4.420 nan 0.000 0.218 480 P C 1.274 178.796 177.300 0.370 0.000 1.149 480 P CA 1.012 64.237 63.100 0.210 0.000 0.817 480 P CB 0.079 31.820 31.700 0.068 0.000 0.785 481 M N -1.219 118.532 119.600 0.252 0.000 2.099 481 M HA -0.088 4.392 4.480 -0.000 0.000 0.262 481 M C 1.923 178.387 176.300 0.273 0.000 1.067 481 M CA 1.717 57.231 55.300 0.357 0.000 1.124 481 M CB -1.448 31.255 32.600 0.171 0.000 1.353 481 M HN -0.174 nan 8.290 nan 0.000 0.410 482 F N 0.705 120.670 119.950 0.024 0.000 2.126 482 F HA -0.208 4.319 4.527 -0.001 0.000 0.299 482 F C 2.083 177.894 175.800 0.019 0.000 1.096 482 F CA 1.721 59.713 58.000 -0.013 0.000 1.255 482 F CB -0.273 38.696 39.000 -0.052 0.000 0.997 482 F HN 0.090 nan 8.300 nan 0.000 0.479 483 R N 0.004 120.673 120.500 0.281 0.000 2.096 483 R HA -0.244 4.096 4.340 -0.000 0.000 0.235 483 R C 2.303 178.710 176.300 0.178 0.000 1.127 483 R CA 1.606 57.883 56.100 0.294 0.000 0.968 483 R CB -1.601 28.917 30.300 0.363 0.000 0.861 483 R HN 0.607 nan 8.270 nan 0.000 0.440 484 W N 0.978 122.292 121.300 0.023 0.000 2.379 484 W HA -0.159 4.501 4.660 -0.001 0.000 0.307 484 W C 1.418 177.807 176.519 -0.216 0.000 1.200 484 W CA 0.848 58.138 57.345 -0.090 0.000 1.297 484 W CB 0.001 29.372 29.460 -0.149 0.000 1.140 484 W HN -0.013 nan 8.180 nan 0.000 0.507 485 M N 0.543 119.862 119.600 -0.468 0.000 2.254 485 M HA -0.106 4.374 4.480 -0.000 0.000 0.265 485 M C 2.053 177.951 176.300 -0.670 0.000 1.066 485 M CA 1.509 56.394 55.300 -0.692 0.000 1.123 485 M CB -1.383 30.966 32.600 -0.418 0.000 1.388 485 M HN 0.002 nan 8.290 nan 0.000 0.425 486 R N -0.218 119.752 120.500 -0.883 0.000 2.112 486 R HA 0.012 4.352 4.340 -0.000 0.000 0.216 486 R C 0.981 176.636 176.300 -1.076 0.000 1.080 486 R CA 1.416 56.757 56.100 -1.265 0.000 0.996 486 R CB -0.029 28.947 30.300 -2.207 0.000 0.902 486 R HN 0.245 nan 8.270 nan 0.000 0.449 487 F N -0.917 118.816 119.950 -0.362 0.000 2.798 487 F HA 0.385 4.912 4.527 -0.001 0.000 0.328 487 F C 0.360 176.029 175.800 -0.218 0.000 1.098 487 F CA -0.132 57.733 58.000 -0.225 0.000 1.172 487 F CB 0.621 39.538 39.000 -0.139 0.000 1.072 487 F HN -0.179 nan 8.300 nan 0.000 0.555 488 S N 0.872 116.419 115.700 -0.255 0.000 3.635 488 S HA -0.252 4.218 4.470 -0.000 0.000 0.328 488 S C -0.248 174.400 174.600 0.079 0.000 1.135 488 S CA 0.939 58.895 58.200 -0.407 0.000 0.942 488 S CB -1.532 61.477 63.200 -0.317 0.000 0.930 488 S HN 0.592 nan 8.310 nan 0.000 0.512 489 D N 0.015 120.542 120.400 0.212 0.000 2.198 489 D HA 0.546 5.186 4.640 -0.000 0.000 0.245 489 D C 0.641 177.144 176.300 0.338 0.000 1.079 489 D CA -0.551 53.599 54.000 0.249 0.000 0.854 489 D CB 0.613 41.527 40.800 0.191 0.000 1.148 489 D HN 0.217 nan 8.370 nan 0.000 0.456 490 L N 2.762 124.126 121.223 0.236 0.000 2.959 490 L HA 0.106 4.446 4.340 -0.000 0.000 0.259 490 L C 1.902 178.882 176.870 0.184 0.000 1.185 490 L CA -0.071 54.877 54.840 0.180 0.000 0.998 490 L CB 0.115 42.167 42.059 -0.012 0.000 1.337 490 L HN 0.461 nan 8.230 nan 0.000 0.555 491 S N -1.983 113.806 115.700 0.148 0.000 2.440 491 S HA -0.162 4.308 4.470 -0.000 0.000 0.238 491 S C 1.564 176.231 174.600 0.112 0.000 1.010 491 S CA 1.705 59.968 58.200 0.105 0.000 0.972 491 S CB -0.253 62.990 63.200 0.071 0.000 0.774 491 S HN 0.313 nan 8.310 nan 0.000 0.501 492 T N 0.286 114.933 114.554 0.155 0.000 3.040 492 T HA 0.199 4.549 4.350 -0.000 0.000 0.266 492 T C -0.180 174.605 174.700 0.142 0.000 1.005 492 T CA -0.705 61.469 62.100 0.122 0.000 0.906 492 T CB -0.086 68.848 68.868 0.110 0.000 1.082 492 T HN 0.564 nan 8.240 nan 0.000 0.531 493 W N 2.888 124.187 121.300 -0.002 0.000 2.190 493 W HA 0.270 4.929 4.660 -0.001 0.000 0.330 493 W C -0.770 175.718 176.519 -0.052 0.000 1.299 493 W CA -0.013 57.308 57.345 -0.041 0.000 1.215 493 W CB 0.461 29.865 29.460 -0.093 0.000 1.147 493 W HN 0.176 nan 8.180 nan 0.000 0.563 494 E N 3.105 122.905 120.200 -0.666 0.000 2.133 494 E HA 0.494 4.843 4.350 -0.000 0.000 0.274 494 E C 0.486 176.869 176.600 -0.363 0.000 0.930 494 E CA 0.145 56.306 56.400 -0.398 0.000 0.770 494 E CB 1.294 30.782 29.700 -0.354 0.000 1.104 494 E HN 0.723 nan 8.360 nan 0.000 0.403 495 G N 3.505 112.251 108.800 -0.089 0.000 2.568 495 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.222 495 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.222 495 G C -0.620 174.355 174.900 0.125 0.000 1.321 495 G CA -0.579 44.518 45.100 -0.004 0.000 0.893 495 G HN 0.624 nan 8.290 nan 0.000 0.569 496 D N 1.287 121.751 120.400 0.106 0.000 2.472 496 D HA 0.124 4.764 4.640 -0.000 0.000 0.248 496 D C 2.053 178.438 176.300 0.143 0.000 1.174 496 D CA 0.408 54.465 54.000 0.095 0.000 0.883 496 D CB 0.551 41.383 40.800 0.054 0.000 1.149 496 D HN 0.644 nan 8.370 nan 0.000 0.488 497 R N 3.201 123.696 120.500 -0.008 0.000 2.189 497 R HA -0.112 4.228 4.340 -0.000 0.000 0.223 497 R C 0.932 177.017 176.300 -0.359 0.000 1.092 497 R CA 0.646 56.566 56.100 -0.301 0.000 0.989 497 R CB -0.200 29.917 30.300 -0.306 0.000 0.876 497 R HN 0.227 nan 8.270 nan 0.000 0.457 498 N N 1.239 119.840 118.700 -0.166 0.000 2.348 498 N HA -0.104 4.636 4.740 -0.000 0.000 0.185 498 N C 1.471 176.905 175.510 -0.127 0.000 1.019 498 N CA 0.977 53.948 53.050 -0.132 0.000 0.880 498 N CB -0.107 38.348 38.487 -0.053 0.000 0.965 498 N HN 0.333 nan 8.380 nan 0.000 0.437 499 L N -0.059 121.111 121.223 -0.088 0.000 2.554 499 L HA 0.179 4.518 4.340 -0.000 0.000 0.226 499 L C 0.670 177.481 176.870 -0.098 0.000 1.137 499 L CA -0.281 54.540 54.840 -0.032 0.000 0.863 499 L CB -0.198 41.874 42.059 0.021 0.000 0.985 499 L HN -0.007 nan 8.230 nan 0.000 0.451 500 A N 2.008 124.491 122.820 -0.563 0.000 2.491 500 A HA 0.312 4.632 4.320 -0.000 0.000 0.261 500 A C -2.071 175.209 177.584 -0.507 0.000 1.101 500 A CA -1.040 50.291 52.037 -1.177 0.000 0.772 500 A CB -0.579 16.857 19.000 -2.606 0.000 1.043 500 A HN -0.034 nan 8.150 nan 0.000 0.501 501 P HA 0.110 nan 4.420 nan 0.000 0.271 501 P C 0.166 177.618 177.300 0.254 0.000 1.216 501 P CA -0.042 63.130 63.100 0.119 0.000 0.776 501 P CB 1.110 32.904 31.700 0.156 0.000 0.881 502 S N 2.596 118.390 115.700 0.157 0.000 2.603 502 S HA 0.284 4.754 4.470 -0.000 0.000 0.268 502 S C -0.032 174.600 174.600 0.054 0.000 1.317 502 S CA -0.522 57.761 58.200 0.138 0.000 1.012 502 S CB -0.355 62.937 63.200 0.155 0.000 0.926 502 S HN 0.181 nan 8.310 nan 0.000 0.539 503 F N 1.930 121.918 119.950 0.064 0.000 2.595 503 F HA 0.180 4.706 4.527 -0.001 0.000 0.359 503 F C 1.036 176.876 175.800 0.066 0.000 1.147 503 F CA 0.088 58.118 58.000 0.049 0.000 1.341 503 F CB 0.303 39.311 39.000 0.012 0.000 1.104 503 F HN 0.495 nan 8.300 nan 0.000 0.603 504 V N 0.434 120.508 119.914 0.265 0.000 3.385 504 V HA 0.355 4.474 4.120 -0.000 0.000 0.301 504 V C 0.451 176.637 176.094 0.153 0.000 1.082 504 V CA -0.976 61.432 62.300 0.179 0.000 1.085 504 V CB 1.240 33.153 31.823 0.151 0.000 1.152 504 V HN 0.922 nan 8.190 nan 0.000 0.465 505 N N -0.758 118.014 118.700 0.119 0.000 3.049 505 N HA -0.133 4.607 4.740 -0.000 0.000 0.243 505 N C 0.249 175.814 175.510 0.092 0.000 1.053 505 N CA 0.914 54.018 53.050 0.091 0.000 0.869 505 N CB -1.072 37.449 38.487 0.056 0.000 1.114 505 N HN 1.190 nan 8.380 nan 0.000 0.547 506 E N 0.000 120.263 120.200 0.105 0.000 2.725 506 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 506 E CA 0.000 56.459 56.400 0.098 0.000 0.976 506 E CB 0.000 29.758 29.700 0.097 0.000 0.812 506 E HN 0.000 nan 8.360 nan 0.000 0.440