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 1sh3_1_A DATA FIRST_RESID 6 DATA SEQUENCE GTYCGAPILG PGSAPKLSTK TKFWRSSTAP LPPGTYEPAY LGGKDPRVKG DATA SEQUENCE GPSLQQVMRD QLKPFTEPRG KPPKPSVLEA AKKTIINVLE QTIDPPDKWS DATA SEQUENCE FAQACASLDK TTSSGHPHHM RKNDCWNGES FTGKLADQAS KANLMFEEGK DATA SEQUENCE NMTPVYTGAL KDELVKTDKI YGKIKKRLLW GSDLATMIRC ARAFGGLMDE DATA SEQUENCE LKTHCVTLPI RVGMNMNEDG PIIFERHSRY RYHYDADYSR WDSTQQRAVL DATA SEQUENCE AAALEIMVKF SSEPHLAQVV AEDLLSPSVV DVGDFTISIN 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 ED 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 3.962 3.960 0.003 0.000 0.244 6 G C 0.000 174.855 174.900 -0.075 0.000 0.946 6 G CA 0.000 45.067 45.100 -0.054 0.000 0.502 7 T N -1.206 113.310 114.554 -0.063 0.000 2.912 7 T HA 0.672 5.024 4.350 0.003 0.000 0.288 7 T C -1.442 173.246 174.700 -0.019 0.000 1.030 7 T CA -0.855 61.218 62.100 -0.045 0.000 1.020 7 T CB 2.196 71.046 68.868 -0.030 0.000 1.056 7 T HN 0.437 nan 8.240 nan 0.000 0.480 8 Y N 3.137 123.338 120.300 -0.164 0.000 2.555 8 Y HA 0.424 4.975 4.550 0.002 0.000 0.326 8 Y C 0.518 176.376 175.900 -0.071 0.000 0.984 8 Y CA -1.212 56.798 58.100 -0.151 0.000 1.298 8 Y CB -0.315 38.018 38.460 -0.211 0.000 1.094 8 Y HN 1.057 nan 8.280 nan 0.000 0.500 9 C N 3.998 123.106 119.300 -0.320 0.000 4.356 9 C HA -0.154 4.307 4.460 0.003 0.000 0.296 9 C C 1.611 176.529 174.990 -0.120 0.000 1.424 9 C CA 1.621 60.477 59.018 -0.269 0.000 2.000 9 C CB -1.975 25.517 27.740 -0.413 0.000 1.262 9 C HN 1.623 nan 8.230 nan 0.000 0.789 10 G N -1.882 106.877 108.800 -0.069 0.000 2.176 10 G HA2 0.201 4.162 3.960 0.003 0.000 0.232 10 G HA3 0.201 4.162 3.960 0.003 0.000 0.232 10 G C -0.090 174.809 174.900 -0.001 0.000 0.986 10 G CA 0.495 45.579 45.100 -0.026 0.000 0.643 10 G HN 2.281 nan 8.290 nan 0.000 0.522 11 A N 0.787 123.612 122.820 0.009 0.000 2.288 11 A HA 0.792 5.113 4.320 0.003 0.000 0.320 11 A C -2.404 175.189 177.584 0.016 0.000 1.217 11 A CA -1.558 50.496 52.037 0.029 0.000 0.840 11 A CB 1.120 20.148 19.000 0.048 0.000 1.179 11 A HN 0.058 nan 8.150 nan 0.000 0.504 12 P HA 0.103 nan 4.420 nan 0.000 0.261 12 P C -0.494 176.779 177.300 -0.045 0.000 1.203 12 P CA 0.422 63.509 63.100 -0.022 0.000 0.767 12 P CB 0.099 31.792 31.700 -0.010 0.000 0.785 13 I N 4.040 124.549 120.570 -0.100 0.000 2.533 13 I HA -0.060 4.112 4.170 0.003 0.000 0.284 13 I C 1.540 177.605 176.117 -0.087 0.000 1.109 13 I CA 0.271 61.472 61.300 -0.164 0.000 1.412 13 I CB 0.445 38.224 38.000 -0.368 0.000 1.396 13 I HN 0.352 nan 8.210 nan 0.000 0.543 14 L N 5.989 127.183 121.223 -0.049 0.000 2.253 14 L HA 0.391 4.732 4.340 0.003 0.000 0.205 14 L C 1.105 177.976 176.870 0.001 0.000 1.078 14 L CA 0.481 55.310 54.840 -0.019 0.000 0.805 14 L CB -0.382 41.670 42.059 -0.012 0.000 0.963 14 L HN 0.842 nan 8.230 nan 0.000 0.459 15 G N -2.097 106.719 108.800 0.028 0.000 2.323 15 G HA2 0.240 4.201 3.960 0.003 0.000 0.291 15 G HA3 0.240 4.201 3.960 0.003 0.000 0.291 15 G C -3.058 171.922 174.900 0.133 0.000 1.278 15 G CA -0.829 44.313 45.100 0.069 0.000 0.860 15 G HN -0.357 nan 8.290 nan 0.000 0.504 16 P HA 0.364 nan 4.420 nan 0.000 0.267 16 P C 0.633 177.939 177.300 0.010 0.000 1.200 16 P CA 0.645 63.766 63.100 0.035 0.000 0.772 16 P CB 0.850 32.549 31.700 -0.001 0.000 0.855 17 G N 0.360 109.132 108.800 -0.046 0.000 2.557 17 G HA2 0.377 4.339 3.960 0.003 0.000 0.292 17 G HA3 0.377 4.339 3.960 0.003 0.000 0.292 17 G C 0.111 175.000 174.900 -0.018 0.000 1.237 17 G CA -0.308 44.771 45.100 -0.034 0.000 0.978 17 G HN 0.434 nan 8.290 nan 0.000 0.498 18 S N -1.502 114.213 115.700 0.024 0.000 3.067 18 S HA 0.504 4.976 4.470 0.003 0.000 0.253 18 S C 0.439 175.066 174.600 0.044 0.000 0.942 18 S CA 0.283 58.517 58.200 0.056 0.000 1.197 18 S CB -0.392 62.885 63.200 0.128 0.000 1.143 18 S HN 1.045 nan 8.310 nan 0.000 0.638 19 A N 3.001 125.791 122.820 -0.049 0.000 2.310 19 A HA 0.766 5.088 4.320 0.003 0.000 0.299 19 A C -2.388 175.038 177.584 -0.263 0.000 1.147 19 A CA -1.390 50.492 52.037 -0.258 0.000 0.818 19 A CB 0.032 18.942 19.000 -0.150 0.000 1.096 19 A HN 0.380 nan 8.150 nan 0.000 0.495 20 P HA 0.075 nan 4.420 nan 0.000 0.269 20 P C -0.349 176.869 177.300 -0.138 0.000 1.215 20 P CA -0.273 62.703 63.100 -0.207 0.000 0.780 20 P CB 0.420 32.000 31.700 -0.201 0.000 0.898 21 K N 0.843 121.186 120.400 -0.094 0.000 2.591 21 K HA -0.035 4.286 4.320 0.003 0.000 0.280 21 K C 0.192 176.756 176.600 -0.060 0.000 0.964 21 K CA -0.090 56.155 56.287 -0.070 0.000 1.014 21 K CB 0.049 32.516 32.500 -0.055 0.000 0.877 21 K HN 0.309 nan 8.250 nan 0.000 0.502 22 L N 2.010 123.204 121.223 -0.047 0.000 2.426 22 L HA 0.008 4.349 4.340 0.003 0.000 0.271 22 L C 1.035 177.884 176.870 -0.035 0.000 1.169 22 L CA 0.552 55.372 54.840 -0.034 0.000 0.836 22 L CB 0.739 42.785 42.059 -0.021 0.000 1.112 22 L HN 0.593 nan 8.230 nan 0.000 0.465 23 S N 1.119 116.803 115.700 -0.026 0.000 2.537 23 S HA 0.072 4.543 4.470 0.003 0.000 0.286 23 S C 0.939 175.508 174.600 -0.052 0.000 1.299 23 S CA 0.097 58.279 58.200 -0.029 0.000 1.067 23 S CB 0.125 63.318 63.200 -0.012 0.000 0.864 23 S HN 0.767 nan 8.310 nan 0.000 0.494 24 T N 2.229 116.744 114.554 -0.065 0.000 3.243 24 T HA 0.367 4.718 4.350 0.003 0.000 0.264 24 T C -0.109 174.530 174.700 -0.102 0.000 1.000 24 T CA -0.523 61.515 62.100 -0.104 0.000 0.901 24 T CB -0.233 68.568 68.868 -0.110 0.000 1.083 24 T HN 0.519 nan 8.240 nan 0.000 0.559 25 K N 0.770 121.130 120.400 -0.067 0.000 2.318 25 K HA 0.592 4.914 4.320 0.003 0.000 0.249 25 K C -0.712 175.866 176.600 -0.035 0.000 0.942 25 K CA -0.712 55.543 56.287 -0.053 0.000 0.808 25 K CB 2.238 34.735 32.500 -0.004 0.000 1.189 25 K HN 0.107 nan 8.250 nan 0.000 0.428 26 T N 0.271 114.804 114.554 -0.034 0.000 2.945 26 T HA 0.177 4.529 4.350 0.003 0.000 0.286 26 T C 0.860 175.603 174.700 0.071 0.000 1.025 26 T CA -0.650 61.464 62.100 0.023 0.000 1.039 26 T CB 0.930 69.825 68.868 0.046 0.000 1.068 26 T HN 0.702 nan 8.240 nan 0.000 0.497 27 K N 1.887 122.253 120.400 -0.056 0.000 2.379 27 K HA 0.105 4.427 4.320 0.003 0.000 0.194 27 K C -0.421 176.168 176.600 -0.018 0.000 1.031 27 K CA 0.174 56.403 56.287 -0.097 0.000 1.037 27 K CB 0.024 32.352 32.500 -0.288 0.000 0.824 27 K HN 0.449 nan 8.250 nan 0.000 0.516 28 F N 1.392 121.480 119.950 0.230 0.000 2.396 28 F HA 0.294 4.823 4.527 0.002 0.000 0.343 28 F C -0.105 176.020 175.800 0.543 0.000 1.104 28 F CA -0.693 57.509 58.000 0.338 0.000 1.161 28 F CB 0.408 39.430 39.000 0.038 0.000 1.146 28 F HN -0.062 nan 8.300 nan 0.000 0.522 29 W N 2.291 123.962 121.300 0.617 0.000 2.781 29 W HA 0.576 5.237 4.660 0.002 0.000 0.345 29 W C -0.301 176.532 176.519 0.524 0.000 1.085 29 W CA -1.171 56.507 57.345 0.555 0.000 1.198 29 W CB 0.704 30.285 29.460 0.200 0.000 1.423 29 W HN 0.110 nan 8.180 nan 0.000 0.532 30 R N 1.216 122.003 120.500 0.479 0.000 2.449 30 R HA 0.033 4.374 4.340 0.003 0.000 0.296 30 R C 1.417 177.787 176.300 0.115 0.000 1.047 30 R CA 0.383 56.478 56.100 -0.008 0.000 1.018 30 R CB 0.687 30.898 30.300 -0.147 0.000 0.962 30 R HN 0.737 nan 8.270 nan 0.000 0.428 31 S N 0.528 116.247 115.700 0.032 0.000 2.453 31 S HA -0.078 4.393 4.470 0.003 0.000 0.231 31 S C 0.978 175.582 174.600 0.006 0.000 1.005 31 S CA 0.728 58.949 58.200 0.036 0.000 0.949 31 S CB 0.056 63.252 63.200 -0.006 0.000 0.774 31 S HN 0.703 nan 8.310 nan 0.000 0.510 32 S N 0.170 115.867 115.700 -0.004 0.000 2.800 32 S HA 0.444 4.915 4.470 0.003 0.000 0.293 32 S C 0.393 174.999 174.600 0.009 0.000 1.209 32 S CA 0.035 58.238 58.200 0.004 0.000 0.884 32 S CB 0.602 63.794 63.200 -0.013 0.000 1.244 32 S HN 0.425 nan 8.310 nan 0.000 0.540 33 T N -1.101 113.460 114.554 0.012 0.000 3.188 33 T HA 0.543 4.894 4.350 0.003 0.000 0.250 33 T C 0.731 175.435 174.700 0.007 0.000 1.077 33 T CA 0.233 62.339 62.100 0.011 0.000 0.967 33 T CB -0.777 68.100 68.868 0.016 0.000 1.006 33 T HN 1.163 nan 8.240 nan 0.000 0.552 34 A N 2.817 125.648 122.820 0.019 0.000 2.477 34 A HA 0.516 4.837 4.320 0.003 0.000 0.246 34 A C -2.146 175.440 177.584 0.003 0.000 1.078 34 A CA -1.268 50.792 52.037 0.038 0.000 0.770 34 A CB -0.334 18.732 19.000 0.109 0.000 1.011 34 A HN 0.318 nan 8.150 nan 0.000 0.494 35 P HA 0.125 nan 4.420 nan 0.000 0.264 35 P C -0.479 176.721 177.300 -0.167 0.000 1.193 35 P CA -0.202 62.856 63.100 -0.070 0.000 0.763 35 P CB 0.290 31.960 31.700 -0.050 0.000 0.810 36 L N 7.433 128.521 121.223 -0.225 0.000 2.456 36 L HA 0.260 4.601 4.340 0.003 0.000 0.277 36 L C -2.064 174.614 176.870 -0.321 0.000 1.124 36 L CA -1.798 52.808 54.840 -0.389 0.000 0.880 36 L CB -0.569 41.334 42.059 -0.260 0.000 1.192 36 L HN 0.294 nan 8.230 nan 0.000 0.463 37 P HA 0.089 nan 4.420 nan 0.000 0.262 37 P C -2.490 174.733 177.300 -0.127 0.000 1.182 37 P CA -0.710 62.247 63.100 -0.238 0.000 0.761 37 P CB -0.231 31.322 31.700 -0.245 0.000 0.795 38 P HA 0.028 nan 4.420 nan 0.000 0.261 38 P C 1.032 178.337 177.300 0.008 0.000 1.183 38 P CA 1.424 64.507 63.100 -0.027 0.000 0.761 38 P CB 0.063 31.748 31.700 -0.025 0.000 0.785 39 G N 1.711 110.537 108.800 0.044 0.000 2.175 39 G HA2 -0.223 3.739 3.960 0.003 0.000 0.244 39 G HA3 -0.223 3.739 3.960 0.003 0.000 0.244 39 G C 0.381 175.370 174.900 0.149 0.000 0.982 39 G CA -0.058 45.097 45.100 0.092 0.000 0.641 39 G HN 0.575 nan 8.290 nan 0.000 0.527 40 T N 1.785 116.412 114.554 0.121 0.000 2.916 40 T HA 0.406 4.757 4.350 0.003 0.000 0.303 40 T C 0.412 175.315 174.700 0.338 0.000 1.025 40 T CA -0.088 62.122 62.100 0.183 0.000 1.142 40 T CB 0.472 69.393 68.868 0.089 0.000 0.947 40 T HN 0.169 nan 8.240 nan 0.000 0.544 41 Y N 2.582 122.951 120.300 0.115 0.000 2.788 41 Y HA 0.089 4.640 4.550 0.003 0.000 0.341 41 Y C 1.293 177.219 175.900 0.044 0.000 1.258 41 Y CA -0.239 57.885 58.100 0.040 0.000 1.503 41 Y CB 0.073 38.505 38.460 -0.047 0.000 1.325 41 Y HN 0.637 nan 8.280 nan 0.000 0.614 42 E N 3.722 123.944 120.200 0.037 0.000 2.316 42 E HA 0.405 4.756 4.350 0.003 0.000 0.258 42 E C -2.631 173.668 176.600 -0.503 0.000 0.952 42 E CA -2.370 53.923 56.400 -0.177 0.000 0.818 42 E CB 1.276 31.027 29.700 0.084 0.000 1.260 42 E HN 0.264 nan 8.360 nan 0.000 0.416 43 P HA 0.023 nan 4.420 nan 0.000 0.271 43 P C -0.993 176.157 177.300 -0.249 0.000 1.216 43 P CA 0.115 62.918 63.100 -0.494 0.000 0.771 43 P CB 0.556 32.035 31.700 -0.368 0.000 0.864 44 A N 3.814 126.539 122.820 -0.159 0.000 2.547 44 A HA -0.021 4.301 4.320 0.003 0.000 0.233 44 A C -0.046 177.515 177.584 -0.039 0.000 1.067 44 A CA 0.050 52.036 52.037 -0.083 0.000 0.763 44 A CB -0.659 18.324 19.000 -0.029 0.000 1.007 44 A HN 0.568 nan 8.150 nan 0.000 0.506 45 Y N 0.591 120.799 120.300 -0.154 0.000 2.903 45 Y HA 0.112 4.664 4.550 0.002 0.000 0.338 45 Y C 0.700 176.540 175.900 -0.099 0.000 1.265 45 Y CA 1.091 59.104 58.100 -0.145 0.000 1.532 45 Y CB 0.232 38.611 38.460 -0.136 0.000 1.293 45 Y HN 0.443 nan 8.280 nan 0.000 0.609 46 L N 5.067 125.875 121.223 -0.692 0.000 3.016 46 L HA 0.447 4.788 4.340 0.003 0.000 0.267 46 L C 0.795 177.305 176.870 -0.599 0.000 1.182 46 L CA 0.335 54.879 54.840 -0.494 0.000 0.997 46 L CB -0.138 41.731 42.059 -0.317 0.000 1.354 46 L HN 1.009 nan 8.230 nan 0.000 0.569 47 G N -0.476 107.632 108.800 -1.153 0.000 2.373 47 G HA2 -0.073 3.889 3.960 0.003 0.000 0.634 47 G HA3 -0.073 3.889 3.960 0.003 0.000 0.634 47 G C 0.508 175.172 174.900 -0.394 0.000 1.267 47 G CA -0.452 44.292 45.100 -0.594 0.000 1.008 47 G HN 0.022 nan 8.290 nan 0.000 0.497 48 G N -0.425 108.318 108.800 -0.096 0.000 2.442 48 G HA2 -0.083 3.878 3.960 0.003 0.000 0.219 48 G HA3 -0.083 3.878 3.960 0.003 0.000 0.219 48 G C 1.249 176.124 174.900 -0.041 0.000 1.141 48 G CA 1.603 46.701 45.100 -0.004 0.000 0.763 48 G HN 0.719 nan 8.290 nan 0.000 0.554 49 K N 0.715 121.061 120.400 -0.090 0.000 2.500 49 K HA 0.108 4.429 4.320 0.003 0.000 0.206 49 K C -0.120 176.412 176.600 -0.113 0.000 1.034 49 K CA -0.385 55.855 56.287 -0.078 0.000 1.179 49 K CB 0.407 32.867 32.500 -0.065 0.000 0.884 49 K HN 0.138 nan 8.250 nan 0.000 0.493 50 D N 1.756 122.051 120.400 -0.175 0.000 2.487 50 D HA -0.021 4.620 4.640 0.003 0.000 0.243 50 D C -1.746 174.506 176.300 -0.080 0.000 1.154 50 D CA -1.379 52.508 54.000 -0.189 0.000 0.876 50 D CB 1.328 41.944 40.800 -0.306 0.000 1.161 50 D HN -0.024 nan 8.370 nan 0.000 0.478 51 P HA -0.053 nan 4.420 nan 0.000 0.225 51 P C 0.757 178.074 177.300 0.029 0.000 1.148 51 P CA 0.965 64.052 63.100 -0.022 0.000 0.779 51 P CB 0.259 31.937 31.700 -0.036 0.000 0.780 52 R N -1.475 119.052 120.500 0.045 0.000 2.280 52 R HA 0.197 4.539 4.340 0.003 0.000 0.195 52 R C -0.096 176.319 176.300 0.192 0.000 0.935 52 R CA 0.295 56.490 56.100 0.158 0.000 1.033 52 R CB 0.399 30.814 30.300 0.190 0.000 0.964 52 R HN 0.022 nan 8.270 nan 0.000 0.489 53 V N 2.804 122.782 119.914 0.108 0.000 2.482 53 V HA 0.149 4.271 4.120 0.003 0.000 0.295 53 V C -0.866 175.291 176.094 0.105 0.000 1.026 53 V CA -1.304 61.078 62.300 0.136 0.000 0.856 53 V CB 1.622 33.558 31.823 0.187 0.000 1.001 53 V HN 0.161 nan 8.190 nan 0.000 0.424 54 K N 2.773 123.226 120.400 0.089 0.000 2.276 54 K HA 0.654 4.976 4.320 0.003 0.000 0.283 54 K C 0.873 177.510 176.600 0.062 0.000 1.044 54 K CA 0.440 56.764 56.287 0.062 0.000 0.944 54 K CB 0.873 33.402 32.500 0.048 0.000 1.012 54 K HN 1.144 nan 8.250 nan 0.000 0.472 55 G N 1.897 110.730 108.800 0.055 0.000 2.305 55 G HA2 -0.240 3.722 3.960 0.003 0.000 0.287 55 G HA3 -0.240 3.722 3.960 0.003 0.000 0.287 55 G C 0.448 175.385 174.900 0.060 0.000 1.036 55 G CA 0.063 45.193 45.100 0.049 0.000 0.887 55 G HN 1.026 nan 8.290 nan 0.000 0.505 56 G N -0.140 108.725 108.800 0.109 0.000 2.563 56 G HA2 0.723 4.685 3.960 0.003 0.000 0.283 56 G HA3 0.723 4.685 3.960 0.003 0.000 0.283 56 G C -1.230 173.732 174.900 0.103 0.000 1.309 56 G CA -0.468 44.693 45.100 0.102 0.000 1.022 56 G HN 0.351 nan 8.290 nan 0.000 0.501 57 P HA 0.180 nan 4.420 nan 0.000 0.272 57 P C 0.305 177.699 177.300 0.156 0.000 1.223 57 P CA -0.267 62.849 63.100 0.026 0.000 0.784 57 P CB 1.065 32.716 31.700 -0.081 0.000 0.923 58 S N 1.393 117.157 115.700 0.107 0.000 2.600 58 S HA 0.119 4.591 4.470 0.003 0.000 0.265 58 S C 1.554 176.239 174.600 0.141 0.000 1.325 58 S CA -0.589 57.679 58.200 0.113 0.000 1.002 58 S CB -0.027 63.208 63.200 0.059 0.000 0.921 58 S HN 0.363 nan 8.310 nan 0.000 0.554 59 L N 0.896 122.189 121.223 0.116 0.000 2.046 59 L HA -0.158 4.184 4.340 0.003 0.000 0.208 59 L C 2.829 179.741 176.870 0.070 0.000 1.077 59 L CA 1.424 56.325 54.840 0.101 0.000 0.747 59 L CB -0.797 41.285 42.059 0.039 0.000 0.896 59 L HN 0.691 nan 8.230 nan 0.000 0.432 60 Q N -0.507 119.325 119.800 0.055 0.000 2.170 60 Q HA -0.204 4.138 4.340 0.003 0.000 0.203 60 Q C 2.216 178.263 176.000 0.078 0.000 0.976 60 Q CA 1.210 57.052 55.803 0.065 0.000 0.858 60 Q CB -0.242 28.532 28.738 0.059 0.000 0.907 60 Q HN 0.389 nan 8.270 nan 0.000 0.433 61 Q N -0.205 119.632 119.800 0.063 0.000 2.050 61 Q HA -0.124 4.217 4.340 0.003 0.000 0.202 61 Q C 2.088 178.099 176.000 0.018 0.000 0.980 61 Q CA 1.486 57.312 55.803 0.038 0.000 0.840 61 Q CB -0.042 28.713 28.738 0.029 0.000 0.898 61 Q HN 0.309 nan 8.270 nan 0.000 0.424 62 V N 1.182 121.115 119.914 0.031 0.000 2.407 62 V HA -0.288 3.834 4.120 0.003 0.000 0.248 62 V C 2.373 178.479 176.094 0.021 0.000 1.055 62 V CA 1.888 64.198 62.300 0.016 0.000 1.049 62 V CB -0.549 31.307 31.823 0.056 0.000 0.662 62 V HN 0.429 nan 8.190 nan 0.000 0.455 63 M N -0.507 119.113 119.600 0.034 0.000 2.175 63 M HA -0.162 4.320 4.480 0.003 0.000 0.264 63 M C 2.403 178.708 176.300 0.008 0.000 1.063 63 M CA 1.688 57.004 55.300 0.026 0.000 1.119 63 M CB -0.191 32.427 32.600 0.030 0.000 1.377 63 M HN 0.121 nan 8.290 nan 0.000 0.415 64 R N 0.527 121.026 120.500 -0.002 0.000 2.096 64 R HA -0.192 4.150 4.340 0.003 0.000 0.240 64 R C 1.543 177.805 176.300 -0.062 0.000 1.139 64 R CA 2.087 58.140 56.100 -0.080 0.000 0.952 64 R CB -0.555 29.681 30.300 -0.105 0.000 0.854 64 R HN 0.480 nan 8.270 nan 0.000 0.436 65 D N 0.021 120.401 120.400 -0.032 0.000 2.311 65 D HA -0.142 4.500 4.640 0.003 0.000 0.212 65 D C 1.611 177.920 176.300 0.015 0.000 0.972 65 D CA 0.994 54.982 54.000 -0.020 0.000 0.887 65 D CB 0.042 40.828 40.800 -0.024 0.000 0.915 65 D HN 0.279 nan 8.370 nan 0.000 0.497 66 Q N -0.504 119.319 119.800 0.039 0.000 2.384 66 Q HA 0.165 4.507 4.340 0.003 0.000 0.207 66 Q C 2.255 178.362 176.000 0.179 0.000 0.904 66 Q CA -0.057 55.809 55.803 0.107 0.000 0.933 66 Q CB 0.791 29.591 28.738 0.103 0.000 1.077 66 Q HN 0.363 nan 8.270 nan 0.000 0.522 67 L N 0.067 121.343 121.223 0.088 0.000 2.202 67 L HA -0.055 4.286 4.340 0.003 0.000 0.205 67 L C 2.090 179.051 176.870 0.153 0.000 1.083 67 L CA 0.712 55.606 54.840 0.090 0.000 0.790 67 L CB -0.048 41.983 42.059 -0.047 0.000 0.942 67 L HN 0.077 nan 8.230 nan 0.000 0.452 68 K N 0.217 120.654 120.400 0.061 0.000 2.074 68 K HA -0.190 4.131 4.320 0.003 0.000 0.209 68 K C -0.570 176.066 176.600 0.060 0.000 1.048 68 K CA 1.611 57.918 56.287 0.033 0.000 0.926 68 K CB -1.124 31.366 32.500 -0.017 0.000 0.713 68 K HN 0.239 nan 8.250 nan 0.000 0.444 69 P HA -0.164 nan 4.420 nan 0.000 0.218 69 P C 0.729 177.971 177.300 -0.096 0.000 1.146 69 P CA 1.256 64.333 63.100 -0.038 0.000 0.813 69 P CB 0.020 31.669 31.700 -0.084 0.000 0.778 70 F N -0.793 119.167 119.950 0.017 0.000 2.456 70 F HA -0.044 4.484 4.527 0.002 0.000 0.298 70 F C 2.195 178.004 175.800 0.016 0.000 1.104 70 F CA 1.573 59.595 58.000 0.036 0.000 1.435 70 F CB -1.096 37.985 39.000 0.135 0.000 1.078 70 F HN -0.013 nan 8.300 nan 0.000 0.546 71 T N -3.499 111.153 114.554 0.163 0.000 3.044 71 T HA 0.095 4.446 4.350 0.003 0.000 0.250 71 T C 0.661 175.378 174.700 0.027 0.000 1.081 71 T CA -0.076 62.076 62.100 0.086 0.000 1.040 71 T CB -0.174 68.730 68.868 0.059 0.000 0.962 71 T HN -0.084 nan 8.240 nan 0.000 0.506 72 E N 2.869 123.070 120.200 0.003 0.000 2.408 72 E HA 0.325 4.676 4.350 0.003 0.000 0.259 72 E C -2.376 174.202 176.600 -0.036 0.000 1.110 72 E CA -1.687 54.698 56.400 -0.026 0.000 0.929 72 E CB 0.157 29.830 29.700 -0.045 0.000 0.971 72 E HN 0.222 nan 8.360 nan 0.000 0.438 73 P HA -0.046 nan 4.420 nan 0.000 0.266 73 P C -0.503 176.762 177.300 -0.058 0.000 1.186 73 P CA 0.308 63.385 63.100 -0.039 0.000 0.767 73 P CB 0.498 32.178 31.700 -0.034 0.000 0.820 74 R N 1.187 121.651 120.500 -0.060 0.000 2.652 74 R HA 0.464 4.805 4.340 0.003 0.000 0.272 74 R C 1.027 177.287 176.300 -0.067 0.000 1.162 74 R CA -0.284 55.767 56.100 -0.082 0.000 1.199 74 R CB -0.271 29.979 30.300 -0.084 0.000 1.166 74 R HN 0.594 nan 8.270 nan 0.000 0.597 75 G N 0.210 108.967 108.800 -0.071 0.000 2.547 75 G HA2 0.215 4.176 3.960 0.003 0.000 0.291 75 G HA3 0.215 4.176 3.960 0.003 0.000 0.291 75 G C -0.574 174.314 174.900 -0.019 0.000 1.211 75 G CA -0.479 44.601 45.100 -0.034 0.000 0.950 75 G HN 0.331 nan 8.290 nan 0.000 0.504 76 K N 1.204 121.614 120.400 0.017 0.000 2.412 76 K HA 0.223 4.544 4.320 0.003 0.000 0.281 76 K C -1.930 174.685 176.600 0.024 0.000 1.027 76 K CA -1.077 55.223 56.287 0.022 0.000 0.989 76 K CB 0.684 33.209 32.500 0.042 0.000 0.935 76 K HN 0.144 nan 8.250 nan 0.000 0.475 77 P HA 0.117 nan 4.420 nan 0.000 0.270 77 P C -2.533 174.698 177.300 -0.115 0.000 1.223 77 P CA -1.265 61.763 63.100 -0.120 0.000 0.785 77 P CB -0.123 31.516 31.700 -0.102 0.000 0.923 78 P HA 0.113 nan 4.420 nan 0.000 0.269 78 P C -0.037 177.230 177.300 -0.055 0.000 1.215 78 P CA 0.018 62.990 63.100 -0.213 0.000 0.780 78 P CB 0.256 31.683 31.700 -0.455 0.000 0.898 79 K N 4.032 124.449 120.400 0.029 0.000 2.466 79 K HA -0.042 4.280 4.320 0.003 0.000 0.278 79 K C -1.508 175.088 176.600 -0.007 0.000 1.048 79 K CA -0.717 55.581 56.287 0.019 0.000 1.088 79 K CB -0.124 32.400 32.500 0.040 0.000 0.884 79 K HN 0.314 nan 8.250 nan 0.000 0.478 80 P HA -0.259 nan 4.420 nan 0.000 0.217 80 P C 1.195 178.486 177.300 -0.014 0.000 1.151 80 P CA 1.358 64.445 63.100 -0.022 0.000 0.849 80 P CB 0.159 31.849 31.700 -0.017 0.000 0.787 81 S N -0.680 115.019 115.700 -0.003 0.000 2.399 81 S HA -0.136 4.335 4.470 0.003 0.000 0.231 81 S C 1.886 176.490 174.600 0.007 0.000 1.022 81 S CA 1.777 59.979 58.200 0.003 0.000 0.983 81 S CB -1.464 61.742 63.200 0.009 0.000 0.803 81 S HN 0.114 nan 8.310 nan 0.000 0.480 82 V N -0.629 119.292 119.914 0.011 0.000 2.825 82 V HA 0.233 4.355 4.120 0.003 0.000 0.246 82 V C 2.222 178.319 176.094 0.005 0.000 1.068 82 V CA 0.978 63.291 62.300 0.022 0.000 1.088 82 V CB -0.787 31.064 31.823 0.048 0.000 0.733 82 V HN 0.436 nan 8.190 nan 0.000 0.468 83 L N 1.401 122.611 121.223 -0.022 0.000 2.083 83 L HA -0.057 4.284 4.340 0.003 0.000 0.209 83 L C 2.421 179.268 176.870 -0.037 0.000 1.083 83 L CA 2.660 57.471 54.840 -0.049 0.000 0.752 83 L CB -1.010 41.000 42.059 -0.082 0.000 0.899 83 L HN 0.554 nan 8.230 nan 0.000 0.433 84 E N 0.045 120.230 120.200 -0.026 0.000 2.051 84 E HA -0.175 4.177 4.350 0.003 0.000 0.192 84 E C 2.140 178.732 176.600 -0.014 0.000 0.991 84 E CA 1.684 58.072 56.400 -0.020 0.000 0.799 84 E CB -0.483 29.209 29.700 -0.013 0.000 0.748 84 E HN 0.544 nan 8.360 nan 0.000 0.449 85 A N 0.807 123.627 122.820 -0.001 0.000 1.908 85 A HA -0.095 4.226 4.320 0.003 0.000 0.218 85 A C 2.454 180.042 177.584 0.006 0.000 1.181 85 A CA 2.336 54.380 52.037 0.010 0.000 0.627 85 A CB -1.104 17.912 19.000 0.027 0.000 0.818 85 A HN 0.399 nan 8.150 nan 0.000 0.445 86 A N -0.065 122.755 122.820 0.001 0.000 1.877 86 A HA -0.177 4.144 4.320 0.003 0.000 0.216 86 A C 2.139 179.670 177.584 -0.089 0.000 1.186 86 A CA 2.095 54.123 52.037 -0.015 0.000 0.620 86 A CB -0.506 18.491 19.000 -0.004 0.000 0.822 86 A HN 0.598 nan 8.150 nan 0.000 0.443 87 K N -0.116 120.233 120.400 -0.085 0.000 2.032 87 K HA -0.197 4.125 4.320 0.003 0.000 0.209 87 K C 2.019 178.568 176.600 -0.085 0.000 1.048 87 K CA 1.898 58.123 56.287 -0.104 0.000 0.927 87 K CB -0.209 32.254 32.500 -0.062 0.000 0.712 87 K HN 0.400 nan 8.250 nan 0.000 0.441 88 K N -0.227 120.147 120.400 -0.043 0.000 2.097 88 K HA -0.085 4.236 4.320 0.003 0.000 0.206 88 K C 2.113 178.702 176.600 -0.017 0.000 1.049 88 K CA 1.814 58.091 56.287 -0.016 0.000 0.933 88 K CB -0.090 32.408 32.500 -0.003 0.000 0.717 88 K HN 0.195 nan 8.250 nan 0.000 0.442 89 T N 1.423 115.960 114.554 -0.028 0.000 2.684 89 T HA -0.119 4.233 4.350 0.003 0.000 0.267 89 T C 1.788 176.437 174.700 -0.084 0.000 1.036 89 T CA 1.187 63.279 62.100 -0.012 0.000 1.148 89 T CB -0.147 68.742 68.868 0.034 0.000 0.863 89 T HN 0.136 nan 8.240 nan 0.000 0.436 90 I N 0.369 120.778 120.570 -0.268 0.000 2.179 90 I HA -0.153 4.019 4.170 0.003 0.000 0.242 90 I C 2.206 178.151 176.117 -0.287 0.000 1.088 90 I CA 1.285 62.237 61.300 -0.580 0.000 1.357 90 I CB -0.348 37.104 38.000 -0.913 0.000 1.051 90 I HN 0.234 nan 8.210 nan 0.000 0.409 91 I N 0.580 121.096 120.570 -0.090 0.000 2.163 91 I HA -0.375 3.797 4.170 0.003 0.000 0.243 91 I C 2.497 178.710 176.117 0.159 0.000 1.085 91 I CA 1.438 62.834 61.300 0.161 0.000 1.347 91 I CB -0.666 37.454 38.000 0.200 0.000 1.044 91 I HN 0.379 nan 8.210 nan 0.000 0.408 92 N N 1.040 119.784 118.700 0.074 0.000 2.021 92 N HA -0.196 4.546 4.740 0.003 0.000 0.198 92 N C 1.949 177.498 175.510 0.065 0.000 1.041 92 N CA 2.070 55.164 53.050 0.073 0.000 0.862 92 N CB -0.153 38.366 38.487 0.053 0.000 1.048 92 N HN 0.125 nan 8.380 nan 0.000 0.427 93 V N 2.179 122.125 119.914 0.055 0.000 2.255 93 V HA -0.228 3.893 4.120 0.003 0.000 0.247 93 V C 2.664 178.773 176.094 0.025 0.000 1.051 93 V CA 1.350 63.704 62.300 0.090 0.000 1.018 93 V CB -0.545 31.426 31.823 0.247 0.000 0.641 93 V HN 0.317 nan 8.190 nan 0.000 0.445 94 L N -0.494 120.683 121.223 -0.076 0.000 2.012 94 L HA -0.266 4.076 4.340 0.003 0.000 0.210 94 L C 2.588 179.377 176.870 -0.134 0.000 1.073 94 L CA 2.071 56.739 54.840 -0.287 0.000 0.748 94 L CB -0.679 40.860 42.059 -0.867 0.000 0.891 94 L HN 0.393 nan 8.230 nan 0.000 0.431 95 E N -0.485 119.783 120.200 0.114 0.000 2.171 95 E HA -0.252 4.100 4.350 0.003 0.000 0.197 95 E C 2.090 178.742 176.600 0.088 0.000 0.997 95 E CA 1.059 57.593 56.400 0.224 0.000 0.810 95 E CB 0.151 29.980 29.700 0.217 0.000 0.738 95 E HN 0.381 nan 8.360 nan 0.000 0.467 96 Q N -1.004 118.820 119.800 0.039 0.000 2.451 96 Q HA 0.010 4.351 4.340 0.003 0.000 0.206 96 Q C 1.082 177.060 176.000 -0.036 0.000 0.947 96 Q CA 0.856 56.667 55.803 0.013 0.000 0.937 96 Q CB 0.950 29.701 28.738 0.021 0.000 1.025 96 Q HN 0.266 nan 8.270 nan 0.000 0.511 97 T N -0.336 114.160 114.554 -0.097 0.000 3.232 97 T HA 0.230 4.582 4.350 0.003 0.000 0.259 97 T C 0.958 175.374 174.700 -0.474 0.000 0.987 97 T CA -0.201 61.749 62.100 -0.249 0.000 1.096 97 T CB 0.413 69.139 68.868 -0.235 0.000 1.131 97 T HN 0.295 nan 8.240 nan 0.000 0.445 98 I N 0.871 121.244 120.570 -0.329 0.000 2.577 98 I HA 0.563 4.734 4.170 0.003 0.000 0.300 98 I C -0.961 175.167 176.117 0.017 0.000 0.990 98 I CA -0.870 60.295 61.300 -0.226 0.000 1.283 98 I CB 1.074 39.024 38.000 -0.083 0.000 1.411 98 I HN -0.042 nan 8.210 nan 0.000 0.515 99 D N 4.523 125.003 120.400 0.133 0.000 2.388 99 D HA 0.383 5.025 4.640 0.003 0.000 0.254 99 D C -2.478 173.916 176.300 0.157 0.000 1.111 99 D CA -1.079 53.006 54.000 0.141 0.000 0.993 99 D CB 0.832 41.722 40.800 0.151 0.000 1.118 99 D HN 0.401 nan 8.370 nan 0.000 0.502 100 P HA 0.167 nan 4.420 nan 0.000 0.268 100 P C -2.398 174.986 177.300 0.141 0.000 1.204 100 P CA -0.699 62.485 63.100 0.140 0.000 0.768 100 P CB -0.256 31.508 31.700 0.106 0.000 0.842 101 P HA 0.132 nan 4.420 nan 0.000 0.272 101 P C -0.539 176.852 177.300 0.151 0.000 1.230 101 P CA -0.011 63.176 63.100 0.146 0.000 0.788 101 P CB 0.394 32.170 31.700 0.128 0.000 0.949 102 D N 0.919 121.432 120.400 0.187 0.000 2.339 102 D HA 0.133 4.774 4.640 0.003 0.000 0.245 102 D C 0.255 176.714 176.300 0.265 0.000 1.115 102 D CA 0.059 54.186 54.000 0.211 0.000 0.917 102 D CB 0.511 41.449 40.800 0.230 0.000 1.192 102 D HN 0.189 nan 8.370 nan 0.000 0.428 103 K N 0.676 121.215 120.400 0.233 0.000 2.237 103 K HA 0.172 4.494 4.320 0.003 0.000 0.270 103 K C -0.513 176.325 176.600 0.397 0.000 1.015 103 K CA -0.321 56.118 56.287 0.254 0.000 0.949 103 K CB 0.710 33.320 32.500 0.184 0.000 0.976 103 K HN 0.289 nan 8.250 nan 0.000 0.472 104 W N 1.743 123.070 121.300 0.044 0.000 2.429 104 W HA 0.207 4.869 4.660 0.002 0.000 0.314 104 W C 0.277 176.817 176.519 0.035 0.000 1.062 104 W CA -0.770 56.593 57.345 0.030 0.000 1.211 104 W CB 1.175 30.639 29.460 0.006 0.000 1.305 104 W HN 0.567 nan 8.180 nan 0.000 0.476 105 S N 2.612 118.421 115.700 0.181 0.000 2.669 105 S HA 0.235 4.706 4.470 0.003 0.000 0.270 105 S C 0.869 175.597 174.600 0.214 0.000 1.225 105 S CA -0.468 57.834 58.200 0.170 0.000 0.991 105 S CB 0.772 64.038 63.200 0.110 0.000 0.987 105 S HN 0.386 nan 8.310 nan 0.000 0.552 106 F N 1.872 121.859 119.950 0.061 0.000 2.091 106 F HA -0.117 4.411 4.527 0.003 0.000 0.299 106 F C 2.463 178.302 175.800 0.066 0.000 1.103 106 F CA 1.488 59.528 58.000 0.066 0.000 1.228 106 F CB -1.412 37.637 39.000 0.081 0.000 0.984 106 F HN 0.766 nan 8.300 nan 0.000 0.477 107 A N -0.273 122.530 122.820 -0.027 0.000 1.902 107 A HA -0.237 4.085 4.320 0.003 0.000 0.217 107 A C 2.199 179.729 177.584 -0.090 0.000 1.181 107 A CA 1.821 53.773 52.037 -0.141 0.000 0.623 107 A CB -0.843 18.098 19.000 -0.098 0.000 0.818 107 A HN 0.597 nan 8.150 nan 0.000 0.443 108 Q N -0.985 118.771 119.800 -0.074 0.000 2.123 108 Q HA 0.010 4.351 4.340 0.003 0.000 0.199 108 Q C 2.409 178.336 176.000 -0.123 0.000 0.966 108 Q CA 1.118 56.803 55.803 -0.197 0.000 0.845 108 Q CB -0.300 28.224 28.738 -0.355 0.000 0.907 108 Q HN 0.685 nan 8.270 nan 0.000 0.439 109 A N 0.019 122.895 122.820 0.092 0.000 1.898 109 A HA -0.181 4.140 4.320 0.003 0.000 0.216 109 A C 2.271 179.957 177.584 0.169 0.000 1.181 109 A CA 1.103 53.286 52.037 0.243 0.000 0.620 109 A CB -0.939 18.229 19.000 0.279 0.000 0.819 109 A HN 0.472 nan 8.150 nan 0.000 0.442 110 C N -1.008 118.354 119.300 0.104 0.000 2.413 110 C HA -0.015 4.447 4.460 0.003 0.000 0.278 110 C C 3.261 178.181 174.990 -0.116 0.000 1.224 110 C CA 1.092 60.132 59.018 0.036 0.000 1.732 110 C CB -1.267 26.425 27.740 -0.080 0.000 2.050 110 C HN 0.697 nan 8.230 nan 0.000 0.463 111 A N 0.065 122.848 122.820 -0.062 0.000 2.178 111 A HA -0.108 4.214 4.320 0.003 0.000 0.218 111 A C 2.189 179.704 177.584 -0.115 0.000 1.157 111 A CA 1.905 53.893 52.037 -0.081 0.000 0.689 111 A CB -0.542 18.448 19.000 -0.018 0.000 0.787 111 A HN 0.707 nan 8.150 nan 0.000 0.465 112 S N -0.840 114.827 115.700 -0.054 0.000 2.524 112 S HA 0.247 4.719 4.470 0.003 0.000 0.216 112 S C 0.525 175.156 174.600 0.052 0.000 0.987 112 S CA -0.408 57.811 58.200 0.032 0.000 0.909 112 S CB -0.525 62.800 63.200 0.208 0.000 0.781 112 S HN 0.360 nan 8.310 nan 0.000 0.521 113 L N 2.485 123.708 121.223 -0.001 0.000 2.397 113 L HA 0.401 4.742 4.340 0.003 0.000 0.271 113 L C 0.215 177.053 176.870 -0.054 0.000 1.148 113 L CA -0.695 54.154 54.840 0.016 0.000 0.825 113 L CB 0.205 42.304 42.059 0.067 0.000 1.117 113 L HN 0.102 nan 8.230 nan 0.000 0.456 114 D N 2.373 122.771 120.400 -0.004 0.000 2.382 114 D HA -0.007 4.635 4.640 0.003 0.000 0.259 114 D C 0.571 176.843 176.300 -0.046 0.000 1.224 114 D CA 0.025 54.014 54.000 -0.018 0.000 0.894 114 D CB 0.966 41.781 40.800 0.024 0.000 1.127 114 D HN 0.330 nan 8.370 nan 0.000 0.487 115 K N 2.110 122.448 120.400 -0.103 0.000 2.361 115 K HA -0.028 4.294 4.320 0.003 0.000 0.196 115 K C 1.800 178.385 176.600 -0.025 0.000 1.039 115 K CA 0.580 56.795 56.287 -0.120 0.000 1.001 115 K CB -0.457 31.880 32.500 -0.272 0.000 0.795 115 K HN 0.586 nan 8.250 nan 0.000 0.495 116 T N -0.605 113.946 114.554 -0.005 0.000 2.951 116 T HA -0.081 4.271 4.350 0.003 0.000 0.268 116 T C 1.364 176.084 174.700 0.034 0.000 1.073 116 T CA 0.885 62.998 62.100 0.021 0.000 1.134 116 T CB -0.592 68.289 68.868 0.023 0.000 0.884 116 T HN 0.297 nan 8.240 nan 0.000 0.479 117 T N 0.143 114.719 114.554 0.036 0.000 2.824 117 T HA 0.503 4.855 4.350 0.003 0.000 0.277 117 T C 0.232 174.966 174.700 0.056 0.000 0.975 117 T CA -0.703 61.427 62.100 0.050 0.000 0.966 117 T CB 1.276 70.179 68.868 0.059 0.000 1.054 117 T HN 0.188 nan 8.240 nan 0.000 0.533 118 S N -0.253 115.489 115.700 0.069 0.000 2.584 118 S HA 0.275 4.747 4.470 0.003 0.000 0.273 118 S C 1.537 176.170 174.600 0.055 0.000 1.311 118 S CA -0.201 58.045 58.200 0.078 0.000 1.034 118 S CB 0.486 63.753 63.200 0.112 0.000 0.939 118 S HN 0.969 nan 8.310 nan 0.000 0.513 119 S N 3.592 119.307 115.700 0.026 0.000 2.555 119 S HA 0.271 4.743 4.470 0.003 0.000 0.230 119 S C 1.311 175.872 174.600 -0.065 0.000 0.978 119 S CA 0.494 58.669 58.200 -0.042 0.000 0.934 119 S CB -1.414 61.740 63.200 -0.077 0.000 0.766 119 S HN 1.774 nan 8.310 nan 0.000 0.533 120 G N 1.377 110.172 108.800 -0.009 0.000 2.601 120 G HA2 -0.331 3.630 3.960 0.003 0.000 0.261 120 G HA3 -0.331 3.630 3.960 0.003 0.000 0.261 120 G C -0.249 174.397 174.900 -0.424 0.000 1.289 120 G CA 0.234 45.318 45.100 -0.027 0.000 0.920 120 G HN 1.009 nan 8.290 nan 0.000 0.571 121 H N 2.213 121.024 119.070 -0.431 0.000 3.001 121 H HA 0.368 4.925 4.556 0.002 0.000 0.334 121 H C -1.035 174.019 175.328 -0.456 0.000 1.034 121 H CA 0.078 55.819 56.048 -0.512 0.000 1.420 121 H CB 1.247 30.888 29.762 -0.202 0.000 1.405 121 H HN 0.256 nan 8.280 nan 0.000 0.593 122 P HA 0.108 nan 4.420 nan 0.000 0.275 122 P C 0.065 176.900 177.300 -0.776 0.000 1.310 122 P CA 0.623 62.981 63.100 -1.237 0.000 0.904 122 P CB 0.442 31.356 31.700 -1.311 0.000 1.381 123 H N -1.529 117.278 119.070 -0.438 0.000 2.547 123 H HA 0.152 4.709 4.556 0.002 0.000 0.272 123 H C -0.044 175.232 175.328 -0.087 0.000 0.971 123 H CA 0.113 56.039 56.048 -0.204 0.000 1.245 123 H CB -0.602 29.073 29.762 -0.145 0.000 1.440 123 H HN 0.164 nan 8.280 nan 0.000 0.540 124 H N -1.013 118.080 119.070 0.040 0.000 2.692 124 H HA -0.162 4.395 4.556 0.002 0.000 0.316 124 H C -0.580 174.775 175.328 0.045 0.000 1.176 124 H CA 0.135 56.202 56.048 0.033 0.000 1.142 124 H CB -1.362 28.415 29.762 0.023 0.000 1.475 124 H HN 0.273 nan 8.280 nan 0.000 0.423 125 M N 0.376 120.044 119.600 0.113 0.000 2.363 125 M HA 0.273 4.754 4.480 0.003 0.000 0.343 125 M C 0.455 176.804 176.300 0.082 0.000 1.165 125 M CA -0.375 54.981 55.300 0.092 0.000 1.046 125 M CB 1.218 33.861 32.600 0.072 0.000 1.648 125 M HN 0.309 nan 8.290 nan 0.000 0.452 126 R N 3.132 123.682 120.500 0.083 0.000 2.421 126 R HA 0.052 4.393 4.340 0.003 0.000 0.305 126 R C 0.458 176.815 176.300 0.095 0.000 1.039 126 R CA 0.317 56.464 56.100 0.079 0.000 1.003 126 R CB 0.508 30.852 30.300 0.074 0.000 0.959 126 R HN 0.769 nan 8.270 nan 0.000 0.427 127 K N 2.832 123.286 120.400 0.090 0.000 2.063 127 K HA -0.249 4.072 4.320 0.003 0.000 0.208 127 K C 1.554 178.282 176.600 0.213 0.000 1.048 127 K CA 1.791 58.169 56.287 0.153 0.000 0.928 127 K CB -0.157 32.424 32.500 0.136 0.000 0.713 127 K HN 0.548 nan 8.250 nan 0.000 0.442 128 N N 1.618 120.392 118.700 0.123 0.000 2.061 128 N HA -0.188 4.554 4.740 0.003 0.000 0.193 128 N C 1.188 176.839 175.510 0.236 0.000 1.030 128 N CA 1.754 54.907 53.050 0.172 0.000 0.856 128 N CB -0.336 38.218 38.487 0.112 0.000 1.023 128 N HN 0.087 nan 8.380 nan 0.000 0.424 129 D N -0.834 119.667 120.400 0.168 0.000 2.157 129 D HA -0.136 4.505 4.640 0.003 0.000 0.191 129 D C 0.459 176.859 176.300 0.168 0.000 1.004 129 D CA 0.989 55.074 54.000 0.141 0.000 0.854 129 D CB -0.318 40.545 40.800 0.105 0.000 0.936 129 D HN 0.290 nan 8.370 nan 0.000 0.446 130 C N 0.856 120.292 119.300 0.228 0.000 2.508 130 C HA 0.292 4.753 4.460 0.003 0.000 0.330 130 C C -0.603 174.640 174.990 0.421 0.000 1.435 130 C CA -0.986 58.176 59.018 0.240 0.000 1.712 130 C CB -0.909 26.929 27.740 0.164 0.000 2.741 130 C HN 0.304 nan 8.230 nan 0.000 0.562 131 W N 2.636 124.009 121.300 0.121 0.000 3.259 131 W HA 0.298 4.960 4.660 0.002 0.000 0.331 131 W C -0.617 175.884 176.519 -0.030 0.000 1.144 131 W CA -0.475 56.895 57.345 0.042 0.000 1.227 131 W CB 1.106 30.581 29.460 0.025 0.000 1.371 131 W HN 0.432 nan 8.180 nan 0.000 0.491 132 N N 2.984 121.192 118.700 -0.821 0.000 2.205 132 N HA 0.278 5.020 4.740 0.003 0.000 0.201 132 N C 1.010 176.049 175.510 -0.786 0.000 1.128 132 N CA 0.902 53.569 53.050 -0.639 0.000 0.867 132 N CB 0.798 39.041 38.487 -0.408 0.000 0.996 132 N HN 0.872 nan 8.380 nan 0.000 0.503 133 G N 0.568 108.504 108.800 -1.442 0.000 2.481 133 G HA2 -0.249 3.713 3.960 0.003 0.000 0.200 133 G HA3 -0.249 3.713 3.960 0.003 0.000 0.200 133 G C 0.636 175.093 174.900 -0.739 0.000 1.012 133 G CA 0.306 44.965 45.100 -0.736 0.000 0.676 133 G HN 0.492 nan 8.290 nan 0.000 0.488 134 E N -0.335 119.254 120.200 -1.019 0.000 2.505 134 E HA 0.382 4.733 4.350 0.003 0.000 0.212 134 E C 0.692 176.840 176.600 -0.753 0.000 0.825 134 E CA 0.674 56.683 56.400 -0.653 0.000 1.333 134 E CB 0.895 30.387 29.700 -0.346 0.000 1.319 134 E HN 0.605 nan 8.360 nan 0.000 0.658 135 S N 0.093 115.217 115.700 -0.960 0.000 2.627 135 S HA 0.605 5.077 4.470 0.003 0.000 0.283 135 S C -0.640 173.688 174.600 -0.454 0.000 1.127 135 S CA -0.915 56.948 58.200 -0.562 0.000 0.863 135 S CB 1.008 64.031 63.200 -0.296 0.000 1.121 135 S HN 0.027 nan 8.310 nan 0.000 0.479 136 F N 0.608 120.632 119.950 0.124 0.000 2.375 136 F HA 0.525 5.053 4.527 0.002 0.000 0.313 136 F C 1.954 177.797 175.800 0.072 0.000 1.176 136 F CA -0.348 57.785 58.000 0.221 0.000 1.142 136 F CB 0.924 40.071 39.000 0.245 0.000 1.275 136 F HN 0.719 nan 8.300 nan 0.000 0.544 137 T N -0.824 113.921 114.554 0.319 0.000 3.056 137 T HA 0.312 4.664 4.350 0.003 0.000 0.243 137 T C 0.862 175.612 174.700 0.083 0.000 0.995 137 T CA 0.678 62.860 62.100 0.136 0.000 1.091 137 T CB 0.043 68.974 68.868 0.104 0.000 0.990 137 T HN 0.726 nan 8.240 nan 0.000 0.464 138 G N 0.452 109.291 108.800 0.065 0.000 3.244 138 G HA2 0.288 4.249 3.960 0.003 0.000 0.197 138 G HA3 0.288 4.249 3.960 0.003 0.000 0.197 138 G C 0.593 175.457 174.900 -0.060 0.000 1.531 138 G CA -0.122 44.974 45.100 -0.007 0.000 0.747 138 G HN 0.171 nan 8.290 nan 0.000 0.763 139 K N 0.111 120.395 120.400 -0.194 0.000 2.209 139 K HA 0.127 4.448 4.320 0.003 0.000 0.204 139 K C 2.407 178.847 176.600 -0.267 0.000 1.048 139 K CA 0.570 56.617 56.287 -0.400 0.000 0.940 139 K CB -0.202 31.709 32.500 -0.982 0.000 0.729 139 K HN 0.167 nan 8.250 nan 0.000 0.451 140 L N 0.175 121.311 121.223 -0.144 0.000 2.141 140 L HA -0.130 4.212 4.340 0.003 0.000 0.209 140 L C 2.511 179.393 176.870 0.020 0.000 1.094 140 L CA 0.976 55.772 54.840 -0.073 0.000 0.763 140 L CB -0.662 41.331 42.059 -0.111 0.000 0.908 140 L HN 0.214 nan 8.230 nan 0.000 0.437 141 A N -0.045 122.855 122.820 0.133 0.000 1.933 141 A HA -0.212 4.110 4.320 0.003 0.000 0.218 141 A C 1.892 179.580 177.584 0.172 0.000 1.175 141 A CA 1.763 53.931 52.037 0.219 0.000 0.628 141 A CB -0.360 18.743 19.000 0.172 0.000 0.814 141 A HN 0.365 nan 8.150 nan 0.000 0.444 142 D N -0.844 119.614 120.400 0.098 0.000 2.097 142 D HA -0.173 4.469 4.640 0.003 0.000 0.197 142 D C 2.101 178.459 176.300 0.096 0.000 0.984 142 D CA 1.702 55.755 54.000 0.089 0.000 0.826 142 D CB -0.443 40.394 40.800 0.062 0.000 0.973 142 D HN 0.738 nan 8.370 nan 0.000 0.460 143 Q N 0.684 120.544 119.800 0.101 0.000 2.119 143 Q HA -0.096 4.245 4.340 0.003 0.000 0.201 143 Q C 2.028 178.060 176.000 0.054 0.000 0.972 143 Q CA 1.523 57.364 55.803 0.063 0.000 0.847 143 Q CB -0.018 28.749 28.738 0.048 0.000 0.903 143 Q HN 0.161 nan 8.270 nan 0.000 0.433 144 A N 0.725 123.605 122.820 0.099 0.000 1.877 144 A HA -0.215 4.106 4.320 0.003 0.000 0.216 144 A C 2.272 179.988 177.584 0.220 0.000 1.186 144 A CA 2.022 54.205 52.037 0.243 0.000 0.620 144 A CB -1.102 18.195 19.000 0.495 0.000 0.822 144 A HN 0.607 nan 8.150 nan 0.000 0.443 145 S N -0.634 115.203 115.700 0.228 0.000 2.383 145 S HA -0.174 4.297 4.470 0.003 0.000 0.227 145 S C 2.046 176.598 174.600 -0.080 0.000 1.026 145 S CA 1.609 59.843 58.200 0.055 0.000 0.981 145 S CB -0.320 62.981 63.200 0.168 0.000 0.818 145 S HN 0.509 nan 8.310 nan 0.000 0.472 146 K N 1.193 121.587 120.400 -0.009 0.000 2.002 146 K HA 0.000 4.322 4.320 0.003 0.000 0.209 146 K C 2.501 179.079 176.600 -0.038 0.000 1.048 146 K CA 1.227 57.503 56.287 -0.019 0.000 0.930 146 K CB -0.816 31.688 32.500 0.006 0.000 0.714 146 K HN 0.468 nan 8.250 nan 0.000 0.438 147 A N 1.774 124.578 122.820 -0.027 0.000 1.903 147 A HA -0.291 4.030 4.320 0.003 0.000 0.219 147 A C 1.923 179.482 177.584 -0.040 0.000 1.191 147 A CA 2.368 54.395 52.037 -0.016 0.000 0.638 147 A CB -1.012 17.990 19.000 0.004 0.000 0.823 147 A HN 0.512 nan 8.150 nan 0.000 0.451 148 N N -0.397 118.193 118.700 -0.184 0.000 2.069 148 N HA -0.134 4.608 4.740 0.003 0.000 0.191 148 N C 1.651 177.078 175.510 -0.138 0.000 1.031 148 N CA 1.535 54.395 53.050 -0.316 0.000 0.852 148 N CB -0.265 37.557 38.487 -1.108 0.000 1.018 148 N HN 0.311 nan 8.380 nan 0.000 0.423 149 L N 0.292 121.424 121.223 -0.151 0.000 1.990 149 L HA -0.168 4.174 4.340 0.003 0.000 0.213 149 L C 2.160 179.014 176.870 -0.026 0.000 1.072 149 L CA 1.543 56.341 54.840 -0.070 0.000 0.755 149 L CB -0.982 41.044 42.059 -0.056 0.000 0.889 149 L HN 0.399 nan 8.230 nan 0.000 0.432 150 M N -1.512 118.081 119.600 -0.011 0.000 2.149 150 M HA -0.273 4.209 4.480 0.003 0.000 0.261 150 M C 2.313 178.621 176.300 0.012 0.000 1.064 150 M CA 1.613 56.913 55.300 0.000 0.000 1.102 150 M CB -1.307 31.299 32.600 0.010 0.000 1.369 150 M HN 0.187 nan 8.290 nan 0.000 0.408 151 F N 1.199 121.094 119.950 -0.090 0.000 2.186 151 F HA -0.141 4.387 4.527 0.003 0.000 0.299 151 F C 2.167 177.910 175.800 -0.096 0.000 1.090 151 F CA 1.561 59.503 58.000 -0.097 0.000 1.307 151 F CB -0.162 38.779 39.000 -0.099 0.000 1.019 151 F HN 0.191 nan 8.300 nan 0.000 0.489 152 E N 0.157 120.288 120.200 -0.115 0.000 2.046 152 E HA -0.122 4.230 4.350 0.003 0.000 0.190 152 E C 0.769 177.244 176.600 -0.208 0.000 0.982 152 E CA 0.868 57.160 56.400 -0.181 0.000 0.800 152 E CB -0.164 29.530 29.700 -0.010 0.000 0.756 152 E HN 0.519 nan 8.360 nan 0.000 0.449 153 E N -0.191 119.929 120.200 -0.134 0.000 2.371 153 E HA 0.125 4.476 4.350 0.003 0.000 0.257 153 E C 0.409 176.911 176.600 -0.163 0.000 1.134 153 E CA 0.022 56.354 56.400 -0.113 0.000 0.919 153 E CB 0.469 30.129 29.700 -0.066 0.000 1.025 153 E HN 0.128 nan 8.360 nan 0.000 0.438 154 G N 1.277 110.000 108.800 -0.127 0.000 3.530 154 G HA2 0.062 4.023 3.960 0.003 0.000 0.269 154 G HA3 0.062 4.023 3.960 0.003 0.000 0.269 154 G C 0.097 174.940 174.900 -0.095 0.000 1.314 154 G CA -0.238 44.778 45.100 -0.141 0.000 1.441 154 G HN 0.130 nan 8.290 nan 0.000 0.595 155 K N 0.309 120.660 120.400 -0.080 0.000 2.143 155 K HA 0.288 4.609 4.320 0.003 0.000 0.272 155 K C -0.001 176.583 176.600 -0.026 0.000 1.001 155 K CA -0.477 55.784 56.287 -0.043 0.000 0.915 155 K CB 0.917 33.398 32.500 -0.032 0.000 1.047 155 K HN 0.188 nan 8.250 nan 0.000 0.458 156 N N 2.201 120.892 118.700 -0.015 0.000 2.514 156 N HA 0.291 5.033 4.740 0.003 0.000 0.277 156 N C -0.736 174.777 175.510 0.006 0.000 1.126 156 N CA 0.081 53.130 53.050 -0.002 0.000 0.978 156 N CB 0.714 39.202 38.487 0.001 0.000 1.106 156 N HN 0.258 nan 8.380 nan 0.000 0.461 157 M N 0.414 120.022 119.600 0.014 0.000 2.591 157 M HA 0.350 4.832 4.480 0.003 0.000 0.306 157 M C -0.633 175.677 176.300 0.016 0.000 1.190 157 M CA -0.770 54.538 55.300 0.013 0.000 0.889 157 M CB 2.196 34.804 32.600 0.013 0.000 1.728 157 M HN 0.307 nan 8.290 nan 0.000 0.458 158 T N 2.819 117.379 114.554 0.011 0.000 2.733 158 T HA 0.422 4.773 4.350 0.003 0.000 0.294 158 T C -2.435 172.254 174.700 -0.017 0.000 0.956 158 T CA -1.122 60.984 62.100 0.010 0.000 0.987 158 T CB 0.488 69.360 68.868 0.007 0.000 0.920 158 T HN 0.292 nan 8.240 nan 0.000 0.470 159 P HA 0.289 nan 4.420 nan 0.000 0.271 159 P C -1.084 176.113 177.300 -0.172 0.000 1.216 159 P CA -0.386 62.629 63.100 -0.142 0.000 0.771 159 P CB 0.583 32.192 31.700 -0.151 0.000 0.864 160 V N 4.761 124.521 119.914 -0.255 0.000 2.407 160 V HA 0.283 4.405 4.120 0.003 0.000 0.291 160 V C -0.557 175.403 176.094 -0.225 0.000 1.018 160 V CA -0.587 61.578 62.300 -0.225 0.000 0.842 160 V CB 0.495 32.073 31.823 -0.409 0.000 0.996 160 V HN 0.411 nan 8.190 nan 0.000 0.426 161 Y N 1.829 122.135 120.300 0.010 0.000 2.335 161 Y HA 0.509 5.061 4.550 0.002 0.000 0.323 161 Y C 1.034 176.928 175.900 -0.011 0.000 1.224 161 Y CA -0.302 57.827 58.100 0.048 0.000 1.241 161 Y CB 1.484 40.007 38.460 0.104 0.000 1.235 161 Y HN 0.491 nan 8.280 nan 0.000 0.492 162 T N 2.216 116.889 114.554 0.197 0.000 2.788 162 T HA 0.367 4.719 4.350 0.003 0.000 0.296 162 T C 0.300 175.028 174.700 0.046 0.000 1.009 162 T CA -0.870 61.305 62.100 0.124 0.000 0.949 162 T CB 0.597 69.590 68.868 0.208 0.000 0.946 162 T HN 0.928 nan 8.240 nan 0.000 0.453 163 G N 2.211 110.973 108.800 -0.062 0.000 2.340 163 G HA2 0.510 4.471 3.960 0.003 0.000 0.245 163 G HA3 0.510 4.471 3.960 0.003 0.000 0.245 163 G C -0.208 174.668 174.900 -0.040 0.000 1.294 163 G CA -0.299 44.725 45.100 -0.127 0.000 0.896 163 G HN 0.958 nan 8.290 nan 0.000 0.522 164 A N 2.114 124.928 122.820 -0.010 0.000 2.532 164 A HA 0.820 5.142 4.320 0.003 0.000 0.290 164 A C -0.774 176.834 177.584 0.038 0.000 1.143 164 A CA -0.751 51.300 52.037 0.024 0.000 0.728 164 A CB 1.366 20.398 19.000 0.055 0.000 1.317 164 A HN 0.693 nan 8.150 nan 0.000 0.414 165 L N 1.124 122.373 121.223 0.043 0.000 2.333 165 L HA 0.451 4.793 4.340 0.003 0.000 0.280 165 L C 0.158 177.066 176.870 0.063 0.000 1.004 165 L CA -0.653 54.220 54.840 0.054 0.000 0.820 165 L CB 1.827 43.915 42.059 0.048 0.000 1.247 165 L HN 0.842 nan 8.230 nan 0.000 0.416 166 K N 2.316 122.763 120.400 0.078 0.000 2.383 166 K HA 0.016 4.338 4.320 0.003 0.000 0.286 166 K C -0.336 176.315 176.600 0.086 0.000 1.051 166 K CA -0.362 55.977 56.287 0.086 0.000 0.974 166 K CB 0.553 33.111 32.500 0.097 0.000 0.968 166 K HN 0.429 nan 8.250 nan 0.000 0.475 167 D N 4.929 125.385 120.400 0.093 0.000 2.338 167 D HA 0.027 4.669 4.640 0.003 0.000 0.255 167 D C -0.754 175.701 176.300 0.257 0.000 1.237 167 D CA 0.116 54.194 54.000 0.130 0.000 0.883 167 D CB 0.476 41.329 40.800 0.087 0.000 1.087 167 D HN 0.651 nan 8.370 nan 0.000 0.485 168 E N 2.701 123.056 120.200 0.259 0.000 2.447 168 E HA 0.288 4.640 4.350 0.003 0.000 0.279 168 E C -1.117 175.398 176.600 -0.141 0.000 1.053 168 E CA -0.965 55.581 56.400 0.244 0.000 0.840 168 E CB 0.428 30.213 29.700 0.141 0.000 1.409 168 E HN 0.276 nan 8.360 nan 0.000 0.461 169 L N 1.708 122.697 121.223 -0.391 0.000 2.319 169 L HA 0.435 4.777 4.340 0.003 0.000 0.280 169 L C 0.177 176.977 176.870 -0.116 0.000 1.099 169 L CA -0.778 53.803 54.840 -0.432 0.000 0.828 169 L CB 0.961 42.719 42.059 -0.502 0.000 1.150 169 L HN 0.461 nan 8.230 nan 0.000 0.442 170 V N 0.493 120.237 119.914 -0.283 0.000 3.001 170 V HA 0.563 4.684 4.120 0.003 0.000 0.314 170 V C -0.341 175.130 176.094 -1.039 0.000 1.099 170 V CA -1.425 60.550 62.300 -0.541 0.000 0.989 170 V CB 1.725 33.359 31.823 -0.315 0.000 1.040 170 V HN 0.769 nan 8.190 nan 0.000 0.434 171 K N 0.703 120.207 120.400 -1.492 0.000 2.518 171 K HA 0.186 4.508 4.320 0.003 0.000 0.276 171 K C 1.111 177.506 176.600 -0.343 0.000 0.974 171 K CA 0.616 56.344 56.287 -0.930 0.000 0.986 171 K CB 0.016 32.220 32.500 -0.494 0.000 0.901 171 K HN 0.899 nan 8.250 nan 0.000 0.497 172 T N -0.720 113.773 114.554 -0.103 0.000 2.684 172 T HA -0.263 4.089 4.350 0.003 0.000 0.267 172 T C 1.374 176.102 174.700 0.047 0.000 1.036 172 T CA 1.548 63.684 62.100 0.059 0.000 1.148 172 T CB -0.602 68.370 68.868 0.173 0.000 0.863 172 T HN 0.793 nan 8.240 nan 0.000 0.436 173 D N 1.460 121.867 120.400 0.012 0.000 2.170 173 D HA -0.129 4.512 4.640 0.003 0.000 0.193 173 D C 1.882 178.149 176.300 -0.056 0.000 1.004 173 D CA 1.163 55.163 54.000 0.000 0.000 0.860 173 D CB -0.291 40.499 40.800 -0.017 0.000 0.931 173 D HN 0.394 nan 8.370 nan 0.000 0.448 174 K N -1.052 119.282 120.400 -0.110 0.000 2.574 174 K HA 0.036 4.358 4.320 0.003 0.000 0.193 174 K C 1.050 177.542 176.600 -0.179 0.000 1.035 174 K CA 0.393 56.596 56.287 -0.141 0.000 0.982 174 K CB 0.222 32.628 32.500 -0.156 0.000 0.795 174 K HN 0.347 nan 8.250 nan 0.000 0.491 175 I N -2.744 117.699 120.570 -0.212 0.000 3.746 175 I HA -0.049 4.122 4.170 0.003 0.000 0.262 175 I C 0.638 176.536 176.117 -0.366 0.000 1.153 175 I CA -0.021 61.065 61.300 -0.357 0.000 1.395 175 I CB 0.260 37.903 38.000 -0.596 0.000 1.589 175 I HN -0.033 nan 8.210 nan 0.000 0.441 176 Y N 1.230 121.512 120.300 -0.030 0.000 2.466 176 Y HA 0.364 4.915 4.550 0.003 0.000 0.272 176 Y C 1.508 177.385 175.900 -0.039 0.000 1.169 176 Y CA 0.201 58.288 58.100 -0.021 0.000 1.285 176 Y CB -0.201 38.255 38.460 -0.006 0.000 1.078 176 Y HN 0.076 nan 8.280 nan 0.000 0.523 177 G N -0.098 108.727 108.800 0.042 0.000 3.414 177 G HA2 0.211 4.172 3.960 0.003 0.000 0.196 177 G HA3 0.211 4.172 3.960 0.003 0.000 0.196 177 G C -0.797 174.067 174.900 -0.060 0.000 1.486 177 G CA -0.622 44.479 45.100 0.001 0.000 0.811 177 G HN -0.058 nan 8.290 nan 0.000 0.704 178 K N 0.986 121.346 120.400 -0.067 0.000 2.310 178 K HA 0.373 4.694 4.320 0.003 0.000 0.290 178 K C -0.462 176.057 176.600 -0.135 0.000 1.077 178 K CA -0.224 56.008 56.287 -0.093 0.000 0.922 178 K CB -0.316 32.143 32.500 -0.067 0.000 1.057 178 K HN 0.167 nan 8.250 nan 0.000 0.479 179 I N 4.273 124.719 120.570 -0.206 0.000 2.556 179 I HA 0.135 4.307 4.170 0.003 0.000 0.284 179 I C 0.305 176.309 176.117 -0.189 0.000 1.114 179 I CA 0.419 61.552 61.300 -0.278 0.000 1.418 179 I CB 0.683 38.338 38.000 -0.575 0.000 1.394 179 I HN 0.509 nan 8.210 nan 0.000 0.552 180 K N 5.767 126.084 120.400 -0.137 0.000 2.482 180 K HA 0.571 4.892 4.320 0.003 0.000 0.251 180 K C -1.076 175.498 176.600 -0.043 0.000 0.936 180 K CA -0.979 55.263 56.287 -0.075 0.000 0.791 180 K CB 2.111 34.575 32.500 -0.060 0.000 1.213 180 K HN 0.366 nan 8.250 nan 0.000 0.428 181 K N 1.904 122.302 120.400 -0.002 0.000 2.468 181 K HA 0.334 4.656 4.320 0.003 0.000 0.252 181 K C -1.148 175.480 176.600 0.047 0.000 0.932 181 K CA -0.827 55.476 56.287 0.027 0.000 0.794 181 K CB 1.833 34.369 32.500 0.060 0.000 1.241 181 K HN 0.428 nan 8.250 nan 0.000 0.428 182 R N 2.998 123.533 120.500 0.058 0.000 2.442 182 R HA 0.140 4.481 4.340 0.003 0.000 0.291 182 R C -0.544 175.822 176.300 0.109 0.000 1.069 182 R CA -0.473 55.680 56.100 0.088 0.000 1.022 182 R CB 0.417 30.770 30.300 0.089 0.000 0.976 182 R HN 0.466 nan 8.270 nan 0.000 0.443 183 L N 5.733 127.044 121.223 0.146 0.000 2.319 183 L HA 0.290 4.631 4.340 0.003 0.000 0.280 183 L C -1.122 175.888 176.870 0.234 0.000 1.099 183 L CA 0.331 55.263 54.840 0.154 0.000 0.828 183 L CB 0.686 42.840 42.059 0.158 0.000 1.150 183 L HN 0.500 nan 8.230 nan 0.000 0.442 184 L N 5.112 126.452 121.223 0.195 0.000 2.322 184 L HA 0.327 4.668 4.340 0.003 0.000 0.281 184 L C -1.222 175.826 176.870 0.297 0.000 1.014 184 L CA -0.564 54.430 54.840 0.257 0.000 0.815 184 L CB 1.547 43.706 42.059 0.168 0.000 1.247 184 L HN 0.687 nan 8.230 nan 0.000 0.421 185 W N 2.680 123.979 121.300 -0.001 0.000 2.228 185 W HA 0.381 5.042 4.660 0.002 0.000 0.364 185 W C 0.875 177.514 176.519 0.201 0.000 0.917 185 W CA -1.084 56.270 57.345 0.016 0.000 1.513 185 W CB 0.717 30.040 29.460 -0.228 0.000 1.494 185 W HN 0.496 nan 8.180 nan 0.000 0.346 186 G N 2.159 111.158 108.800 0.332 0.000 2.248 186 G HA2 0.173 4.135 3.960 0.003 0.000 0.260 186 G HA3 0.173 4.135 3.960 0.003 0.000 0.260 186 G C 0.382 175.475 174.900 0.322 0.000 1.214 186 G CA -0.170 45.097 45.100 0.278 0.000 0.979 186 G HN 0.317 nan 8.290 nan 0.000 0.454 187 S N 1.265 117.127 115.700 0.271 0.000 2.624 187 S HA 0.291 4.763 4.470 0.003 0.000 0.263 187 S C 0.338 174.940 174.600 0.004 0.000 1.287 187 S CA -0.660 57.600 58.200 0.100 0.000 0.990 187 S CB 0.536 63.812 63.200 0.128 0.000 0.950 187 S HN 0.767 nan 8.310 nan 0.000 0.561 188 D N 1.737 122.076 120.400 -0.101 0.000 2.217 188 D HA 0.132 4.774 4.640 0.003 0.000 0.248 188 D C 1.202 177.462 176.300 -0.066 0.000 1.008 188 D CA -0.696 53.256 54.000 -0.079 0.000 0.914 188 D CB 1.247 41.994 40.800 -0.088 0.000 1.182 188 D HN 0.417 nan 8.370 nan 0.000 0.451 189 L N 2.516 123.688 121.223 -0.084 0.000 2.079 189 L HA -0.142 4.199 4.340 0.003 0.000 0.210 189 L C 2.370 179.213 176.870 -0.046 0.000 1.081 189 L CA 2.400 57.187 54.840 -0.088 0.000 0.752 189 L CB -0.810 41.135 42.059 -0.190 0.000 0.896 189 L HN 0.684 nan 8.230 nan 0.000 0.433 190 A N -1.378 121.413 122.820 -0.048 0.000 1.859 190 A HA -0.262 4.059 4.320 0.003 0.000 0.217 190 A C 2.293 179.876 177.584 -0.002 0.000 1.198 190 A CA 2.647 54.673 52.037 -0.018 0.000 0.629 190 A CB -1.374 17.612 19.000 -0.023 0.000 0.830 190 A HN 0.511 nan 8.150 nan 0.000 0.446 191 T N -0.287 114.256 114.554 -0.019 0.000 2.788 191 T HA -0.148 4.203 4.350 0.003 0.000 0.268 191 T C 1.923 176.642 174.700 0.032 0.000 1.044 191 T CA 1.696 63.794 62.100 -0.002 0.000 1.139 191 T CB -0.302 68.533 68.868 -0.055 0.000 0.867 191 T HN 0.411 nan 8.240 nan 0.000 0.454 192 M N 0.595 120.215 119.600 0.033 0.000 2.073 192 M HA -0.103 4.378 4.480 0.003 0.000 0.258 192 M C 2.283 178.633 176.300 0.084 0.000 1.070 192 M CA 1.806 57.146 55.300 0.068 0.000 1.103 192 M CB -0.448 32.190 32.600 0.062 0.000 1.321 192 M HN 0.417 nan 8.290 nan 0.000 0.405 193 I N -1.929 118.691 120.570 0.083 0.000 2.500 193 I HA -0.133 4.039 4.170 0.003 0.000 0.252 193 I C 2.176 178.279 176.117 -0.023 0.000 1.142 193 I CA 1.318 62.678 61.300 0.101 0.000 1.451 193 I CB -0.367 37.757 38.000 0.206 0.000 1.093 193 I HN 0.077 nan 8.210 nan 0.000 0.430 194 R N 0.128 120.606 120.500 -0.035 0.000 2.075 194 R HA -0.091 4.251 4.340 0.003 0.000 0.232 194 R C 2.416 178.643 176.300 -0.122 0.000 1.126 194 R CA 1.682 57.719 56.100 -0.105 0.000 0.963 194 R CB -0.880 29.435 30.300 0.024 0.000 0.858 194 R HN 0.479 nan 8.270 nan 0.000 0.435 195 C N 0.199 119.508 119.300 0.015 0.000 2.422 195 C HA -0.053 4.409 4.460 0.003 0.000 0.279 195 C C 2.810 177.830 174.990 0.050 0.000 1.305 195 C CA 0.812 59.910 59.018 0.133 0.000 1.757 195 C CB -0.809 27.049 27.740 0.197 0.000 1.962 195 C HN 0.587 nan 8.230 nan 0.000 0.499 196 A N -0.028 122.782 122.820 -0.016 0.000 1.872 196 A HA -0.088 4.234 4.320 0.003 0.000 0.214 196 A C 2.305 179.823 177.584 -0.110 0.000 1.187 196 A CA 1.035 53.069 52.037 -0.006 0.000 0.614 196 A CB -0.498 18.609 19.000 0.178 0.000 0.826 196 A HN 0.640 nan 8.150 nan 0.000 0.442 197 R N -0.435 119.915 120.500 -0.249 0.000 2.075 197 R HA -0.061 4.281 4.340 0.003 0.000 0.232 197 R C 2.488 178.508 176.300 -0.466 0.000 1.126 197 R CA 1.136 56.981 56.100 -0.424 0.000 0.963 197 R CB -0.486 29.159 30.300 -1.092 0.000 0.858 197 R HN 0.507 nan 8.270 nan 0.000 0.435 198 A N 0.460 122.940 122.820 -0.567 0.000 1.883 198 A HA -0.147 4.175 4.320 0.003 0.000 0.217 198 A C 1.448 178.619 177.584 -0.688 0.000 1.186 198 A CA 1.504 53.198 52.037 -0.570 0.000 0.624 198 A CB -0.224 18.224 19.000 -0.920 0.000 0.822 198 A HN 0.292 nan 8.150 nan 0.000 0.444 199 F N -1.902 117.915 119.950 -0.221 0.000 2.834 199 F HA 0.273 4.802 4.527 0.003 0.000 0.332 199 F C 2.326 177.835 175.800 -0.485 0.000 1.056 199 F CA -0.285 57.562 58.000 -0.255 0.000 1.178 199 F CB -0.697 38.190 39.000 -0.189 0.000 1.037 199 F HN 0.217 nan 8.300 nan 0.000 0.580 200 G N 1.069 109.431 108.800 -0.730 0.000 2.574 200 G HA2 -0.313 3.648 3.960 0.003 0.000 0.220 200 G HA3 -0.313 3.648 3.960 0.003 0.000 0.220 200 G C 2.039 176.106 174.900 -1.387 0.000 1.173 200 G CA 1.396 45.410 45.100 -1.809 0.000 0.772 200 G HN 0.483 nan 8.290 nan 0.000 0.585 201 G N 0.752 108.930 108.800 -1.036 0.000 2.491 201 G HA2 -0.209 3.752 3.960 0.003 0.000 0.218 201 G HA3 -0.209 3.752 3.960 0.003 0.000 0.218 201 G C 1.796 176.670 174.900 -0.043 0.000 1.180 201 G CA 1.259 46.239 45.100 -0.198 0.000 0.774 201 G HN 0.533 nan 8.290 nan 0.000 0.562 202 L N -0.151 121.047 121.223 -0.042 0.000 2.093 202 L HA 0.193 4.534 4.340 0.003 0.000 0.208 202 L C 2.810 179.693 176.870 0.021 0.000 1.085 202 L CA 1.750 56.622 54.840 0.053 0.000 0.755 202 L CB -0.331 41.804 42.059 0.126 0.000 0.904 202 L HN 0.276 nan 8.230 nan 0.000 0.435 203 M N -0.371 119.194 119.600 -0.058 0.000 2.082 203 M HA -0.286 4.195 4.480 0.003 0.000 0.258 203 M C 1.869 178.177 176.300 0.013 0.000 1.071 203 M CA 2.407 57.675 55.300 -0.053 0.000 1.103 203 M CB -0.430 32.085 32.600 -0.142 0.000 1.307 203 M HN 0.254 nan 8.290 nan 0.000 0.409 204 D N -0.477 119.950 120.400 0.044 0.000 2.123 204 D HA -0.202 4.440 4.640 0.003 0.000 0.196 204 D C 1.872 178.237 176.300 0.108 0.000 0.992 204 D CA 1.546 55.629 54.000 0.138 0.000 0.833 204 D CB -0.299 40.665 40.800 0.272 0.000 0.954 204 D HN 0.412 nan 8.370 nan 0.000 0.455 205 E N 0.343 120.610 120.200 0.111 0.000 2.106 205 E HA -0.097 4.254 4.350 0.003 0.000 0.192 205 E C 2.086 178.777 176.600 0.151 0.000 0.984 205 E CA 0.751 57.229 56.400 0.130 0.000 0.806 205 E CB -0.388 29.404 29.700 0.152 0.000 0.750 205 E HN 0.268 nan 8.360 nan 0.000 0.458 206 L N 0.387 121.682 121.223 0.119 0.000 2.141 206 L HA -0.122 4.220 4.340 0.003 0.000 0.209 206 L C 2.381 179.307 176.870 0.093 0.000 1.094 206 L CA 1.314 56.225 54.840 0.120 0.000 0.763 206 L CB -0.377 41.724 42.059 0.071 0.000 0.908 206 L HN 0.085 nan 8.230 nan 0.000 0.437 207 K N -0.618 119.818 120.400 0.060 0.000 2.148 207 K HA -0.087 4.235 4.320 0.003 0.000 0.204 207 K C 2.014 178.610 176.600 -0.007 0.000 1.050 207 K CA 1.512 57.823 56.287 0.040 0.000 0.942 207 K CB -0.406 32.126 32.500 0.053 0.000 0.724 207 K HN 0.274 nan 8.250 nan 0.000 0.446 208 T N 0.648 115.163 114.554 -0.066 0.000 2.803 208 T HA -0.127 4.224 4.350 0.003 0.000 0.269 208 T C 1.094 175.574 174.700 -0.367 0.000 1.052 208 T CA 1.158 63.109 62.100 -0.248 0.000 1.136 208 T CB -0.140 68.499 68.868 -0.382 0.000 0.864 208 T HN 0.310 nan 8.240 nan 0.000 0.467 209 H N -0.204 118.880 119.070 0.023 0.000 2.486 209 H HA 0.226 4.783 4.556 0.003 0.000 0.284 209 H C 1.936 177.261 175.328 -0.004 0.000 1.103 209 H CA -0.244 55.810 56.048 0.010 0.000 1.089 209 H CB -0.540 29.230 29.762 0.013 0.000 1.603 209 H HN 0.522 nan 8.280 nan 0.000 0.557 210 C N -0.104 119.231 119.300 0.059 0.000 2.485 210 C HA 0.020 4.482 4.460 0.003 0.000 0.283 210 C C 2.164 177.153 174.990 -0.003 0.000 1.478 210 C CA 0.178 59.217 59.018 0.035 0.000 1.741 210 C CB -1.708 26.057 27.740 0.042 0.000 1.675 210 C HN 0.293 nan 8.230 nan 0.000 0.573 211 V N 0.102 120.012 119.914 -0.007 0.000 2.492 211 V HA -0.001 4.121 4.120 0.003 0.000 0.241 211 V C 2.509 178.568 176.094 -0.058 0.000 1.041 211 V CA 2.042 64.316 62.300 -0.044 0.000 1.057 211 V CB -1.685 30.116 31.823 -0.037 0.000 0.711 211 V HN 0.486 nan 8.190 nan 0.000 0.468 212 T N 1.613 116.161 114.554 -0.010 0.000 2.668 212 T HA 0.127 4.479 4.350 0.003 0.000 0.262 212 T C 0.926 175.580 174.700 -0.076 0.000 1.045 212 T CA 1.021 63.106 62.100 -0.026 0.000 1.152 212 T CB -0.395 68.492 68.868 0.031 0.000 0.864 212 T HN 0.223 nan 8.240 nan 0.000 0.419 213 L N 1.733 122.931 121.223 -0.041 0.000 2.464 213 L HA 0.174 4.516 4.340 0.003 0.000 0.264 213 L C -1.409 175.325 176.870 -0.227 0.000 1.199 213 L CA -1.751 53.034 54.840 -0.091 0.000 0.818 213 L CB 0.215 42.291 42.059 0.029 0.000 1.102 213 L HN 0.021 nan 8.230 nan 0.000 0.473 214 P HA 0.013 nan 4.420 nan 0.000 0.225 214 P C 0.248 177.427 177.300 -0.202 0.000 1.156 214 P CA 0.797 63.605 63.100 -0.486 0.000 0.787 214 P CB 0.150 31.337 31.700 -0.855 0.000 0.802 215 I N 0.964 121.484 120.570 -0.083 0.000 2.483 215 I HA 0.036 4.208 4.170 0.003 0.000 0.291 215 I C 1.410 177.542 176.117 0.026 0.000 1.112 215 I CA -0.060 61.272 61.300 0.053 0.000 1.350 215 I CB 0.346 38.416 38.000 0.117 0.000 1.419 215 I HN -0.195 nan 8.210 nan 0.000 0.523 216 R N 4.214 124.759 120.500 0.075 0.000 2.300 216 R HA 0.152 4.494 4.340 0.003 0.000 0.199 216 R C 0.209 176.609 176.300 0.167 0.000 0.920 216 R CA -0.078 56.122 56.100 0.166 0.000 1.046 216 R CB -0.481 30.058 30.300 0.399 0.000 0.984 216 R HN 0.376 nan 8.270 nan 0.000 0.493 217 V N 1.393 121.243 119.914 -0.107 0.000 2.583 217 V HA 0.063 4.185 4.120 0.003 0.000 0.302 217 V C 1.542 177.676 176.094 0.067 0.000 1.033 217 V CA 1.580 63.773 62.300 -0.177 0.000 1.194 217 V CB 0.078 31.696 31.823 -0.341 0.000 0.879 217 V HN 0.744 nan 8.190 nan 0.000 0.482 218 G N 3.624 112.532 108.800 0.179 0.000 2.179 218 G HA2 -0.208 3.753 3.960 0.003 0.000 0.220 218 G HA3 -0.208 3.753 3.960 0.003 0.000 0.220 218 G C 0.049 175.018 174.900 0.115 0.000 0.990 218 G CA 0.040 45.218 45.100 0.129 0.000 0.646 218 G HN 0.972 nan 8.290 nan 0.000 0.517 219 M N 0.053 119.741 119.600 0.147 0.000 2.241 219 M HA 0.543 5.025 4.480 0.003 0.000 0.335 219 M C 0.044 176.382 176.300 0.063 0.000 1.122 219 M CA -0.275 55.077 55.300 0.088 0.000 1.164 219 M CB 0.802 33.461 32.600 0.099 0.000 1.459 219 M HN 0.076 nan 8.290 nan 0.000 0.461 220 N N 3.179 121.888 118.700 0.014 0.000 2.457 220 N HA 0.146 4.887 4.740 0.003 0.000 0.250 220 N C 0.072 175.550 175.510 -0.055 0.000 0.982 220 N CA -0.350 52.700 53.050 -0.001 0.000 0.941 220 N CB 1.371 39.856 38.487 -0.002 0.000 1.120 220 N HN 0.944 nan 8.380 nan 0.000 0.505 221 M N 4.216 123.781 119.600 -0.059 0.000 2.149 221 M HA -0.106 4.376 4.480 0.003 0.000 0.261 221 M C 1.249 177.464 176.300 -0.141 0.000 1.064 221 M CA 1.666 56.908 55.300 -0.097 0.000 1.102 221 M CB -0.569 31.982 32.600 -0.081 0.000 1.369 221 M HN 0.533 nan 8.290 nan 0.000 0.408 222 N N -0.357 118.244 118.700 -0.164 0.000 2.216 222 N HA -0.123 4.618 4.740 0.003 0.000 0.183 222 N C 1.460 176.865 175.510 -0.174 0.000 1.017 222 N CA 1.609 54.538 53.050 -0.202 0.000 0.861 222 N CB 0.051 38.390 38.487 -0.247 0.000 0.986 222 N HN 0.582 nan 8.380 nan 0.000 0.428 223 E N -0.057 120.062 120.200 -0.136 0.000 2.175 223 E HA 0.006 4.358 4.350 0.003 0.000 0.195 223 E C 0.847 177.377 176.600 -0.115 0.000 0.934 223 E CA 0.385 56.715 56.400 -0.117 0.000 0.870 223 E CB 0.229 29.879 29.700 -0.084 0.000 0.838 223 E HN 0.164 nan 8.360 nan 0.000 0.474 224 D N 0.469 120.794 120.400 -0.125 0.000 2.234 224 D HA -0.033 4.608 4.640 0.003 0.000 0.205 224 D C 1.890 178.030 176.300 -0.267 0.000 0.962 224 D CA 0.902 54.813 54.000 -0.148 0.000 0.855 224 D CB -0.485 40.248 40.800 -0.111 0.000 0.951 224 D HN 0.213 nan 8.370 nan 0.000 0.500 225 G N 2.268 110.858 108.800 -0.349 0.000 2.586 225 G HA2 -0.252 3.709 3.960 0.003 0.000 0.218 225 G HA3 -0.252 3.709 3.960 0.003 0.000 0.218 225 G C -0.699 173.789 174.900 -0.687 0.000 1.216 225 G CA 0.793 45.466 45.100 -0.712 0.000 0.786 225 G HN 0.304 nan 8.290 nan 0.000 0.583 226 P HA -0.027 nan 4.420 nan 0.000 0.218 226 P C 1.834 179.134 177.300 -0.000 0.000 1.148 226 P CA 0.839 63.958 63.100 0.032 0.000 0.822 226 P CB -0.073 31.671 31.700 0.073 0.000 0.784 227 I N -1.601 118.914 120.570 -0.090 0.000 2.163 227 I HA -0.195 3.976 4.170 0.003 0.000 0.240 227 I C 2.262 178.311 176.117 -0.112 0.000 1.081 227 I CA 1.322 62.579 61.300 -0.071 0.000 1.353 227 I CB -0.724 37.232 38.000 -0.074 0.000 1.054 227 I HN -0.170 nan 8.210 nan 0.000 0.407 228 I N 0.245 120.685 120.570 -0.216 0.000 2.163 228 I HA -0.301 3.870 4.170 0.003 0.000 0.243 228 I C 2.314 178.406 176.117 -0.041 0.000 1.085 228 I CA 1.597 62.771 61.300 -0.209 0.000 1.347 228 I CB -0.337 37.464 38.000 -0.332 0.000 1.044 228 I HN 0.067 nan 8.210 nan 0.000 0.408 229 F N 0.507 120.372 119.950 -0.143 0.000 2.146 229 F HA -0.167 4.362 4.527 0.002 0.000 0.298 229 F C 2.614 178.081 175.800 -0.554 0.000 1.096 229 F CA 1.121 58.927 58.000 -0.324 0.000 1.275 229 F CB -1.101 37.742 39.000 -0.261 0.000 1.008 229 F HN 0.143 nan 8.300 nan 0.000 0.480 230 E N 0.652 120.756 120.200 -0.161 0.000 2.077 230 E HA -0.189 4.163 4.350 0.003 0.000 0.193 230 E C 2.426 178.943 176.600 -0.139 0.000 0.989 230 E CA 0.796 57.086 56.400 -0.182 0.000 0.800 230 E CB -0.103 29.665 29.700 0.113 0.000 0.746 230 E HN 0.221 nan 8.360 nan 0.000 0.452 231 R N -0.239 120.205 120.500 -0.094 0.000 2.096 231 R HA -0.117 4.224 4.340 0.003 0.000 0.235 231 R C 2.336 178.598 176.300 -0.064 0.000 1.127 231 R CA 0.953 57.004 56.100 -0.083 0.000 0.968 231 R CB -0.564 29.660 30.300 -0.126 0.000 0.861 231 R HN 0.425 nan 8.270 nan 0.000 0.440 232 H N 0.032 119.010 119.070 -0.153 0.000 2.353 232 H HA -0.072 4.486 4.556 0.003 0.000 0.300 232 H C 2.087 177.369 175.328 -0.076 0.000 1.090 232 H CA 1.952 57.907 56.048 -0.155 0.000 1.327 232 H CB -0.022 29.547 29.762 -0.321 0.000 1.383 232 H HN 0.241 nan 8.280 nan 0.000 0.508 233 S N 0.582 116.173 115.700 -0.182 0.000 2.547 233 S HA -0.069 4.403 4.470 0.003 0.000 0.235 233 S C 2.023 176.638 174.600 0.024 0.000 0.980 233 S CA 0.459 58.551 58.200 -0.180 0.000 0.941 233 S CB -0.070 62.884 63.200 -0.410 0.000 0.763 233 S HN 0.285 nan 8.310 nan 0.000 0.532 234 R N -0.555 119.952 120.500 0.011 0.000 2.090 234 R HA 0.159 4.501 4.340 0.003 0.000 0.228 234 R C 0.031 176.204 176.300 -0.211 0.000 1.110 234 R CA 0.802 56.825 56.100 -0.129 0.000 0.973 234 R CB -0.147 29.987 30.300 -0.276 0.000 0.869 234 R HN 0.470 nan 8.270 nan 0.000 0.440 235 Y N -0.155 120.106 120.300 -0.064 0.000 2.299 235 Y HA 0.085 4.637 4.550 0.002 0.000 0.335 235 Y C 1.635 177.396 175.900 -0.231 0.000 1.287 235 Y CA -0.126 57.898 58.100 -0.127 0.000 1.424 235 Y CB 0.469 38.853 38.460 -0.128 0.000 1.326 235 Y HN -0.195 nan 8.280 nan 0.000 0.567 236 R N -0.171 120.197 120.500 -0.221 0.000 2.127 236 R HA 0.048 4.390 4.340 0.003 0.000 0.217 236 R C -0.939 174.844 176.300 -0.863 0.000 1.074 236 R CA 0.819 56.566 56.100 -0.589 0.000 0.991 236 R CB 0.221 30.014 30.300 -0.845 0.000 0.895 236 R HN 0.627 nan 8.270 nan 0.000 0.450 237 Y N -0.481 119.593 120.300 -0.378 0.000 2.477 237 Y HA 0.434 4.985 4.550 0.002 0.000 0.347 237 Y C -0.404 175.116 175.900 -0.632 0.000 0.981 237 Y CA -1.132 56.732 58.100 -0.393 0.000 1.033 237 Y CB 1.725 40.128 38.460 -0.096 0.000 1.245 237 Y HN -0.021 nan 8.280 nan 0.000 0.455 238 H N 1.888 121.079 119.070 0.201 0.000 2.894 238 H HA 0.469 5.027 4.556 0.003 0.000 0.367 238 H C -1.573 173.832 175.328 0.128 0.000 1.144 238 H CA -1.002 55.081 56.048 0.058 0.000 1.180 238 H CB 2.623 32.355 29.762 -0.050 0.000 1.758 238 H HN 0.768 nan 8.280 nan 0.000 0.541 239 Y N -0.579 119.808 120.300 0.145 0.000 2.625 239 Y HA 0.493 5.044 4.550 0.002 0.000 0.338 239 Y C -1.561 174.368 175.900 0.048 0.000 1.123 239 Y CA -1.287 56.859 58.100 0.077 0.000 1.046 239 Y CB 1.822 40.316 38.460 0.058 0.000 1.299 239 Y HN 0.494 nan 8.280 nan 0.000 0.464 240 D N 1.486 122.040 120.400 0.255 0.000 2.421 240 D HA 0.503 5.145 4.640 0.003 0.000 0.254 240 D C 0.313 176.704 176.300 0.152 0.000 1.238 240 D CA -0.105 53.993 54.000 0.164 0.000 0.919 240 D CB 1.628 42.456 40.800 0.047 0.000 1.152 240 D HN 0.941 nan 8.370 nan 0.000 0.552 241 A N 3.742 126.652 122.820 0.151 0.000 2.131 241 A HA -0.015 4.307 4.320 0.003 0.000 0.220 241 A C 0.949 178.273 177.584 -0.433 0.000 1.158 241 A CA 0.926 52.800 52.037 -0.272 0.000 0.665 241 A CB -0.652 17.966 19.000 -0.636 0.000 0.795 241 A HN 0.724 nan 8.150 nan 0.000 0.460 242 D N -1.958 118.296 120.400 -0.244 0.000 3.142 242 D HA -0.196 4.446 4.640 0.003 0.000 0.221 242 D C -0.971 175.280 176.300 -0.082 0.000 1.193 242 D CA 0.645 54.591 54.000 -0.090 0.000 0.900 242 D CB -1.511 39.269 40.800 -0.034 0.000 0.886 242 D HN 0.490 nan 8.370 nan 0.000 0.399 243 Y N 1.382 121.761 120.300 0.131 0.000 2.335 243 Y HA 0.331 4.883 4.550 0.003 0.000 0.331 243 Y C 1.436 177.413 175.900 0.127 0.000 1.094 243 Y CA -0.548 57.652 58.100 0.166 0.000 1.253 243 Y CB 1.180 39.845 38.460 0.341 0.000 1.203 243 Y HN 0.027 nan 8.280 nan 0.000 0.508 244 S N 4.312 120.149 115.700 0.228 0.000 2.564 244 S HA 0.144 4.615 4.470 0.003 0.000 0.278 244 S C 0.066 174.746 174.600 0.134 0.000 1.333 244 S CA -0.965 57.318 58.200 0.139 0.000 1.048 244 S CB 0.266 63.510 63.200 0.074 0.000 0.900 244 S HN 0.773 nan 8.310 nan 0.000 0.505 245 R N 1.321 121.878 120.500 0.094 0.000 3.034 245 R HA -0.233 4.109 4.340 0.003 0.000 0.237 245 R C 0.734 177.041 176.300 0.012 0.000 0.861 245 R CA 0.518 56.643 56.100 0.042 0.000 0.588 245 R CB -2.061 28.226 30.300 -0.022 0.000 1.035 245 R HN 0.877 nan 8.270 nan 0.000 0.488 246 W N 2.782 124.020 121.300 -0.103 0.000 2.304 246 W HA -0.240 4.422 4.660 0.003 0.000 0.328 246 W C 1.015 177.378 176.519 -0.260 0.000 1.242 246 W CA 2.241 59.475 57.345 -0.186 0.000 1.243 246 W CB -0.529 28.825 29.460 -0.177 0.000 1.170 246 W HN 0.391 nan 8.180 nan 0.000 0.460 247 D N 0.375 120.787 120.400 0.021 0.000 2.191 247 D HA -0.264 4.377 4.640 0.003 0.000 0.190 247 D C 2.350 178.376 176.300 -0.457 0.000 1.007 247 D CA 3.037 56.939 54.000 -0.163 0.000 0.865 247 D CB -1.006 39.781 40.800 -0.022 0.000 0.929 247 D HN 0.264 nan 8.370 nan 0.000 0.447 248 S N -0.608 114.703 115.700 -0.649 0.000 2.447 248 S HA -0.116 4.356 4.470 0.003 0.000 0.233 248 S C 1.868 176.032 174.600 -0.726 0.000 1.006 248 S CA 1.562 59.029 58.200 -1.222 0.000 0.957 248 S CB -0.644 61.861 63.200 -1.158 0.000 0.773 248 S HN 0.412 nan 8.310 nan 0.000 0.507 249 T N -1.871 112.350 114.554 -0.555 0.000 3.065 249 T HA 0.180 4.531 4.350 0.003 0.000 0.252 249 T C 0.649 175.042 174.700 -0.512 0.000 1.099 249 T CA -0.307 61.515 62.100 -0.465 0.000 1.063 249 T CB -0.205 68.415 68.868 -0.413 0.000 0.948 249 T HN 0.178 nan 8.240 nan 0.000 0.506 250 Q N 2.183 121.614 119.800 -0.615 0.000 2.395 250 Q HA 0.238 4.579 4.340 0.003 0.000 0.271 250 Q C -0.205 175.579 176.000 -0.360 0.000 1.026 250 Q CA 0.541 56.000 55.803 -0.573 0.000 0.900 250 Q CB 0.455 28.843 28.738 -0.584 0.000 1.266 250 Q HN 0.640 nan 8.270 nan 0.000 0.430 251 Q N 1.836 121.456 119.800 -0.300 0.000 2.307 251 Q HA 0.320 4.661 4.340 0.003 0.000 0.262 251 Q C 0.826 176.745 176.000 -0.136 0.000 0.961 251 Q CA -0.761 54.926 55.803 -0.192 0.000 0.882 251 Q CB 1.656 30.285 28.738 -0.181 0.000 1.264 251 Q HN 0.340 nan 8.270 nan 0.000 0.446 252 R N 1.345 121.801 120.500 -0.074 0.000 2.133 252 R HA -0.237 4.104 4.340 0.003 0.000 0.247 252 R C 1.825 178.125 176.300 0.000 0.000 1.151 252 R CA 1.671 57.767 56.100 -0.008 0.000 0.971 252 R CB -0.615 29.700 30.300 0.025 0.000 0.866 252 R HN 0.780 nan 8.270 nan 0.000 0.447 253 A N 0.840 123.638 122.820 -0.037 0.000 1.908 253 A HA -0.134 4.187 4.320 0.003 0.000 0.218 253 A C 2.485 180.040 177.584 -0.048 0.000 1.181 253 A CA 1.828 53.842 52.037 -0.039 0.000 0.627 253 A CB -0.528 18.436 19.000 -0.060 0.000 0.818 253 A HN 0.136 nan 8.150 nan 0.000 0.445 254 V N 0.116 119.976 119.914 -0.090 0.000 2.358 254 V HA -0.238 3.883 4.120 0.003 0.000 0.246 254 V C 2.510 178.596 176.094 -0.012 0.000 1.047 254 V CA 1.806 64.046 62.300 -0.100 0.000 1.035 254 V CB -1.013 30.696 31.823 -0.190 0.000 0.658 254 V HN 0.551 nan 8.190 nan 0.000 0.452 255 L N 0.491 121.728 121.223 0.024 0.000 2.079 255 L HA -0.161 4.180 4.340 0.003 0.000 0.210 255 L C 2.797 179.864 176.870 0.328 0.000 1.081 255 L CA 1.491 56.470 54.840 0.232 0.000 0.752 255 L CB -0.913 41.270 42.059 0.207 0.000 0.896 255 L HN 0.360 nan 8.230 nan 0.000 0.433 256 A N 0.377 123.288 122.820 0.151 0.000 1.858 256 A HA -0.203 4.119 4.320 0.003 0.000 0.216 256 A C 2.589 180.200 177.584 0.044 0.000 1.190 256 A CA 1.895 53.979 52.037 0.078 0.000 0.617 256 A CB -0.874 18.148 19.000 0.037 0.000 0.827 256 A HN 0.384 nan 8.150 nan 0.000 0.443 257 A N -0.218 122.620 122.820 0.030 0.000 1.940 257 A HA 0.085 4.406 4.320 0.003 0.000 0.219 257 A C 2.501 180.100 177.584 0.025 0.000 1.176 257 A CA 2.365 54.406 52.037 0.007 0.000 0.631 257 A CB -1.067 17.922 19.000 -0.019 0.000 0.814 257 A HN 1.133 nan 8.150 nan 0.000 0.446 258 A N -0.349 122.524 122.820 0.088 0.000 1.865 258 A HA -0.095 4.227 4.320 0.003 0.000 0.217 258 A C 2.189 179.797 177.584 0.040 0.000 1.191 258 A CA 1.638 53.759 52.037 0.140 0.000 0.623 258 A CB -0.671 18.551 19.000 0.369 0.000 0.826 258 A HN 0.474 nan 8.150 nan 0.000 0.444 259 L N -0.758 120.417 121.223 -0.079 0.000 2.093 259 L HA -0.198 4.143 4.340 0.003 0.000 0.208 259 L C 2.589 179.410 176.870 -0.082 0.000 1.085 259 L CA 1.471 56.146 54.840 -0.276 0.000 0.755 259 L CB -0.510 41.278 42.059 -0.452 0.000 0.904 259 L HN 0.489 nan 8.230 nan 0.000 0.435 260 E N 0.257 120.439 120.200 -0.031 0.000 2.065 260 E HA -0.291 4.061 4.350 0.003 0.000 0.201 260 E C 2.214 178.837 176.600 0.038 0.000 1.016 260 E CA 1.802 58.203 56.400 0.002 0.000 0.818 260 E CB -0.245 29.454 29.700 -0.002 0.000 0.749 260 E HN 0.477 nan 8.360 nan 0.000 0.453 261 I N 0.680 121.282 120.570 0.053 0.000 2.127 261 I HA -0.351 3.820 4.170 0.003 0.000 0.241 261 I C 2.639 178.894 176.117 0.230 0.000 1.075 261 I CA 1.210 62.597 61.300 0.146 0.000 1.334 261 I CB -0.314 37.730 38.000 0.074 0.000 1.040 261 I HN 0.196 nan 8.210 nan 0.000 0.405 262 M N -0.117 119.550 119.600 0.112 0.000 2.082 262 M HA -0.213 4.269 4.480 0.003 0.000 0.258 262 M C 2.481 178.941 176.300 0.268 0.000 1.069 262 M CA 1.706 57.083 55.300 0.130 0.000 1.102 262 M CB -0.639 31.883 32.600 -0.131 0.000 1.336 262 M HN 0.155 nan 8.290 nan 0.000 0.404 263 V N 0.409 120.452 119.914 0.215 0.000 2.343 263 V HA -0.284 3.837 4.120 0.003 0.000 0.247 263 V C 2.384 178.523 176.094 0.074 0.000 1.051 263 V CA 1.845 64.241 62.300 0.161 0.000 1.036 263 V CB -0.787 31.085 31.823 0.082 0.000 0.654 263 V HN 0.475 nan 8.190 nan 0.000 0.451 264 K N -0.586 119.831 120.400 0.029 0.000 2.063 264 K HA -0.179 4.142 4.320 0.003 0.000 0.208 264 K C 1.875 178.325 176.600 -0.249 0.000 1.048 264 K CA 1.940 58.134 56.287 -0.155 0.000 0.928 264 K CB -0.180 32.145 32.500 -0.292 0.000 0.713 264 K HN 0.474 nan 8.250 nan 0.000 0.442 265 F N 1.027 121.001 119.950 0.040 0.000 2.754 265 F HA 0.043 4.572 4.527 0.003 0.000 0.297 265 F C 1.142 176.978 175.800 0.060 0.000 1.122 265 F CA -0.195 57.833 58.000 0.046 0.000 1.400 265 F CB 0.008 39.034 39.000 0.044 0.000 1.117 265 F HN -0.089 nan 8.300 nan 0.000 0.587 266 S N -0.004 115.816 115.700 0.201 0.000 2.566 266 S HA -0.049 4.423 4.470 0.003 0.000 0.280 266 S C 1.647 176.291 174.600 0.073 0.000 1.343 266 S CA -0.037 58.240 58.200 0.129 0.000 1.036 266 S CB 1.062 64.300 63.200 0.064 0.000 0.866 266 S HN 0.346 nan 8.310 nan 0.000 0.526 267 S N 0.964 116.699 115.700 0.057 0.000 2.399 267 S HA -0.105 4.367 4.470 0.003 0.000 0.231 267 S C 0.248 174.883 174.600 0.058 0.000 1.022 267 S CA 0.914 59.156 58.200 0.071 0.000 0.983 267 S CB -0.632 62.622 63.200 0.090 0.000 0.803 267 S HN 0.853 nan 8.310 nan 0.000 0.480 268 E N 1.235 121.437 120.200 0.004 0.000 2.873 268 E HA 0.342 4.694 4.350 0.003 0.000 0.232 268 E C -2.418 174.085 176.600 -0.163 0.000 1.123 268 E CA -2.003 54.361 56.400 -0.061 0.000 0.809 268 E CB 1.897 31.498 29.700 -0.166 0.000 1.366 268 E HN 0.195 nan 8.360 nan 0.000 0.400 269 P HA -0.270 nan 4.420 nan 0.000 0.215 269 P C 1.236 178.503 177.300 -0.055 0.000 1.157 269 P CA 1.387 64.478 63.100 -0.015 0.000 0.874 269 P CB 0.046 31.766 31.700 0.033 0.000 0.790 270 H N -0.803 118.211 119.070 -0.093 0.000 2.387 270 H HA -0.036 4.521 4.556 0.003 0.000 0.299 270 H C 1.858 177.093 175.328 -0.155 0.000 1.090 270 H CA 1.138 57.121 56.048 -0.108 0.000 1.332 270 H CB -1.431 28.271 29.762 -0.101 0.000 1.386 270 H HN 0.178 nan 8.280 nan 0.000 0.516 271 L N 0.377 121.154 121.223 -0.744 0.000 2.162 271 L HA 0.116 4.457 4.340 0.003 0.000 0.205 271 L C 3.080 179.704 176.870 -0.410 0.000 1.086 271 L CA 0.701 55.136 54.840 -0.675 0.000 0.778 271 L CB -0.415 41.015 42.059 -1.048 0.000 0.928 271 L HN 0.320 nan 8.230 nan 0.000 0.446 272 A N -0.111 122.522 122.820 -0.312 0.000 1.972 272 A HA -0.274 4.048 4.320 0.003 0.000 0.219 272 A C 2.192 179.678 177.584 -0.164 0.000 1.169 272 A CA 1.724 53.589 52.037 -0.287 0.000 0.635 272 A CB -0.493 18.301 19.000 -0.343 0.000 0.810 272 A HN 0.400 nan 8.150 nan 0.000 0.446 273 Q N 0.276 120.005 119.800 -0.118 0.000 2.152 273 Q HA -0.151 4.191 4.340 0.003 0.000 0.206 273 Q C 1.717 177.687 176.000 -0.049 0.000 0.985 273 Q CA 2.476 58.244 55.803 -0.058 0.000 0.863 273 Q CB -0.685 28.024 28.738 -0.047 0.000 0.904 273 Q HN 0.381 nan 8.270 nan 0.000 0.422 274 V N -0.906 118.962 119.914 -0.076 0.000 2.407 274 V HA -0.157 3.965 4.120 0.003 0.000 0.245 274 V C 2.303 178.388 176.094 -0.015 0.000 1.041 274 V CA 1.311 63.580 62.300 -0.052 0.000 1.040 274 V CB -0.533 31.240 31.823 -0.083 0.000 0.671 274 V HN 0.245 nan 8.190 nan 0.000 0.455 275 V N 0.752 120.661 119.914 -0.007 0.000 2.255 275 V HA -0.288 3.833 4.120 0.003 0.000 0.247 275 V C 2.781 178.907 176.094 0.053 0.000 1.051 275 V CA 2.109 64.434 62.300 0.041 0.000 1.018 275 V CB -1.409 30.434 31.823 0.034 0.000 0.641 275 V HN 0.534 nan 8.190 nan 0.000 0.445 276 A N -0.095 122.760 122.820 0.058 0.000 1.859 276 A HA -0.354 3.968 4.320 0.003 0.000 0.218 276 A C 2.168 179.740 177.584 -0.020 0.000 1.209 276 A CA 2.469 54.510 52.037 0.006 0.000 0.639 276 A CB -0.860 18.150 19.000 0.017 0.000 0.835 276 A HN 0.622 nan 8.150 nan 0.000 0.450 277 E N -0.672 119.526 120.200 -0.003 0.000 2.114 277 E HA -0.253 4.098 4.350 0.003 0.000 0.199 277 E C 1.647 178.265 176.600 0.029 0.000 1.008 277 E CA 1.436 57.841 56.400 0.008 0.000 0.810 277 E CB -0.260 29.442 29.700 0.003 0.000 0.739 277 E HN 0.581 nan 8.360 nan 0.000 0.456 278 D N 0.233 120.654 120.400 0.034 0.000 2.144 278 D HA -0.091 4.550 4.640 0.003 0.000 0.200 278 D C 1.961 178.317 176.300 0.093 0.000 0.978 278 D CA 0.677 54.710 54.000 0.056 0.000 0.833 278 D CB -0.113 40.717 40.800 0.049 0.000 0.961 278 D HN 0.143 nan 8.370 nan 0.000 0.470 279 L N -0.005 121.269 121.223 0.085 0.000 2.275 279 L HA -0.065 4.276 4.340 0.003 0.000 0.215 279 L C 2.116 179.117 176.870 0.218 0.000 1.119 279 L CA 0.499 55.431 54.840 0.153 0.000 0.790 279 L CB -0.004 42.079 42.059 0.039 0.000 0.919 279 L HN 0.018 nan 8.230 nan 0.000 0.443 280 L N -1.432 119.876 121.223 0.142 0.000 2.416 280 L HA 0.068 4.410 4.340 0.003 0.000 0.216 280 L C 1.512 178.462 176.870 0.132 0.000 1.098 280 L CA -0.202 54.735 54.840 0.162 0.000 0.840 280 L CB -0.150 41.974 42.059 0.109 0.000 0.981 280 L HN 0.207 nan 8.230 nan 0.000 0.462 281 S N 0.238 116.006 115.700 0.112 0.000 2.566 281 S HA 0.114 4.586 4.470 0.003 0.000 0.280 281 S C -2.311 172.363 174.600 0.123 0.000 1.343 281 S CA -1.160 57.098 58.200 0.097 0.000 1.036 281 S CB -0.340 62.907 63.200 0.079 0.000 0.866 281 S HN -0.080 nan 8.310 nan 0.000 0.526 282 P HA 0.054 nan 4.420 nan 0.000 0.257 282 P C -0.635 176.755 177.300 0.150 0.000 1.162 282 P CA 0.424 63.592 63.100 0.113 0.000 0.762 282 P CB 0.098 31.845 31.700 0.078 0.000 0.753 283 S N 2.388 118.211 115.700 0.205 0.000 2.474 283 S HA 0.196 4.667 4.470 0.003 0.000 0.276 283 S C 0.249 174.984 174.600 0.225 0.000 1.227 283 S CA -0.630 57.753 58.200 0.305 0.000 1.050 283 S CB 0.329 63.793 63.200 0.440 0.000 0.939 283 S HN 0.138 nan 8.310 nan 0.000 0.490 284 V N 4.852 124.893 119.914 0.212 0.000 2.408 284 V HA 0.321 4.443 4.120 0.003 0.000 0.267 284 V C 0.137 176.296 176.094 0.107 0.000 1.047 284 V CA -0.384 61.972 62.300 0.093 0.000 0.937 284 V CB 0.973 32.803 31.823 0.013 0.000 0.999 284 V HN 0.637 nan 8.190 nan 0.000 0.472 285 V N 4.882 124.781 119.914 -0.025 0.000 2.487 285 V HA 0.490 4.612 4.120 0.003 0.000 0.298 285 V C -0.465 175.563 176.094 -0.110 0.000 1.028 285 V CA -0.567 61.665 62.300 -0.114 0.000 0.860 285 V CB 1.880 33.417 31.823 -0.477 0.000 0.991 285 V HN 0.894 nan 8.190 nan 0.000 0.427 286 D N 4.644 125.001 120.400 -0.072 0.000 2.336 286 D HA 0.181 4.823 4.640 0.003 0.000 0.249 286 D C 0.826 177.086 176.300 -0.066 0.000 1.213 286 D CA 0.139 54.108 54.000 -0.050 0.000 0.870 286 D CB 1.869 42.672 40.800 0.003 0.000 1.076 286 D HN 0.663 nan 8.370 nan 0.000 0.483 287 V N 1.765 121.640 119.914 -0.064 0.000 3.444 287 V HA 0.463 4.584 4.120 0.003 0.000 0.308 287 V C 1.287 177.334 176.094 -0.077 0.000 1.371 287 V CA 0.499 62.766 62.300 -0.054 0.000 1.141 287 V CB 0.041 31.874 31.823 0.016 0.000 1.037 287 V HN 0.746 nan 8.190 nan 0.000 0.433 288 G N 1.975 110.717 108.800 -0.096 0.000 4.024 288 G HA2 -0.298 3.663 3.960 0.003 0.000 0.206 288 G HA3 -0.298 3.663 3.960 0.003 0.000 0.206 288 G C 0.527 175.317 174.900 -0.182 0.000 1.608 288 G CA 0.353 45.379 45.100 -0.124 0.000 1.221 288 G HN 0.587 nan 8.290 nan 0.000 0.623 289 D N 0.855 121.075 120.400 -0.301 0.000 2.333 289 D HA 0.339 4.980 4.640 0.003 0.000 0.208 289 D C 0.574 176.452 176.300 -0.703 0.000 0.984 289 D CA 0.651 54.339 54.000 -0.520 0.000 0.873 289 D CB 0.117 40.507 40.800 -0.683 0.000 0.935 289 D HN 0.323 nan 8.370 nan 0.000 0.521 290 F N 0.236 120.044 119.950 -0.238 0.000 2.603 290 F HA 0.436 4.965 4.527 0.002 0.000 0.317 290 F C 0.123 175.809 175.800 -0.191 0.000 1.066 290 F CA -1.283 56.563 58.000 -0.257 0.000 0.941 290 F CB 1.938 40.659 39.000 -0.466 0.000 1.291 290 F HN -0.461 nan 8.300 nan 0.000 0.472 291 T N 3.962 118.571 114.554 0.091 0.000 2.788 291 T HA 0.646 4.997 4.350 0.003 0.000 0.296 291 T C -0.233 174.460 174.700 -0.011 0.000 1.009 291 T CA -0.387 61.718 62.100 0.007 0.000 0.949 291 T CB 0.159 69.022 68.868 -0.008 0.000 0.946 291 T HN 0.493 nan 8.240 nan 0.000 0.453 292 I N -0.333 120.221 120.570 -0.026 0.000 2.822 292 I HA 0.856 5.027 4.170 0.003 0.000 0.312 292 I C -0.048 176.057 176.117 -0.020 0.000 1.011 292 I CA -0.868 60.421 61.300 -0.019 0.000 1.105 292 I CB 2.072 40.095 38.000 0.038 0.000 1.291 292 I HN 0.420 nan 8.210 nan 0.000 0.474 293 S N 4.300 120.000 115.700 0.000 0.000 2.566 293 S HA 0.571 5.043 4.470 0.003 0.000 0.324 293 S C -0.608 174.018 174.600 0.043 0.000 1.081 293 S CA -0.697 57.517 58.200 0.023 0.000 1.105 293 S CB 0.374 63.590 63.200 0.026 0.000 0.981 293 S HN 0.456 nan 8.310 nan 0.000 0.464 294 I N 5.647 126.259 120.570 0.069 0.000 2.306 294 I HA 0.234 4.406 4.170 0.003 0.000 0.288 294 I C 0.595 176.816 176.117 0.174 0.000 1.036 294 I CA -0.423 60.959 61.300 0.138 0.000 1.221 294 I CB 0.626 38.745 38.000 0.198 0.000 1.385 294 I HN 0.757 nan 8.210 nan 0.000 0.472 295 N N 3.835 122.614 118.700 0.131 0.000 2.336 295 N HA 0.051 4.793 4.740 0.003 0.000 0.189 295 N C 0.387 175.960 175.510 0.105 0.000 1.113 295 N CA 0.089 53.206 53.050 0.112 0.000 0.858 295 N CB 0.487 39.019 38.487 0.075 0.000 0.970 295 N HN 0.371 nan 8.380 nan 0.000 0.471 296 E N -0.111 120.168 120.200 0.132 0.000 2.334 296 E HA 0.606 4.957 4.350 0.003 0.000 0.256 296 E C 0.644 177.330 176.600 0.143 0.000 0.958 296 E CA -0.276 56.177 56.400 0.088 0.000 0.821 296 E CB 1.450 31.171 29.700 0.035 0.000 1.269 296 E HN 0.206 nan 8.360 nan 0.000 0.413 297 G N -0.039 108.757 108.800 -0.006 0.000 2.855 297 G HA2 -0.220 3.741 3.960 0.003 0.000 0.352 297 G HA3 -0.220 3.741 3.960 0.003 0.000 0.352 297 G C -1.111 173.717 174.900 -0.120 0.000 1.415 297 G CA -0.093 44.954 45.100 -0.088 0.000 0.871 297 G HN 0.419 nan 8.290 nan 0.000 0.543 298 L N 1.140 122.224 121.223 -0.232 0.000 2.313 298 L HA 0.716 5.057 4.340 0.003 0.000 0.283 298 L C -2.158 174.337 176.870 -0.626 0.000 1.013 298 L CA -2.029 52.546 54.840 -0.441 0.000 0.816 298 L CB 1.954 43.693 42.059 -0.533 0.000 1.236 298 L HN 0.392 nan 8.230 nan 0.000 0.419 299 P HA 0.064 nan 4.420 nan 0.000 0.260 299 P C -1.211 175.514 177.300 -0.959 0.000 1.185 299 P CA 0.191 62.263 63.100 -1.713 0.000 0.763 299 P CB 0.369 31.396 31.700 -1.122 0.000 0.776 300 S N 2.267 117.382 115.700 -0.975 0.000 2.480 300 S HA 0.600 5.071 4.470 0.003 0.000 0.286 300 S C 1.025 175.588 174.600 -0.061 0.000 1.180 300 S CA -0.030 58.000 58.200 -0.283 0.000 1.075 300 S CB 1.002 64.181 63.200 -0.035 0.000 0.996 300 S HN 0.852 nan 8.310 nan 0.000 0.487 301 G N 1.067 109.870 108.800 0.006 0.000 2.131 301 G HA2 -0.201 3.761 3.960 0.003 0.000 0.223 301 G HA3 -0.201 3.761 3.960 0.003 0.000 0.223 301 G C -0.176 174.793 174.900 0.115 0.000 0.990 301 G CA -0.207 44.944 45.100 0.085 0.000 0.671 301 G HN 1.156 nan 8.290 nan 0.000 0.521 302 V N 0.680 120.654 119.914 0.101 0.000 2.368 302 V HA 0.272 4.393 4.120 0.003 0.000 0.266 302 V C -0.072 176.104 176.094 0.137 0.000 1.045 302 V CA -0.821 61.577 62.300 0.163 0.000 0.899 302 V CB 1.194 33.154 31.823 0.228 0.000 1.006 302 V HN 0.054 nan 8.190 nan 0.000 0.470 303 P HA -0.194 nan 4.420 nan 0.000 0.222 303 P C 0.875 178.239 177.300 0.107 0.000 1.157 303 P CA 1.626 64.796 63.100 0.116 0.000 0.905 303 P CB 0.098 31.867 31.700 0.116 0.000 0.792 304 C N -1.164 118.205 119.300 0.114 0.000 2.294 304 C HA 0.208 4.670 4.460 0.003 0.000 0.348 304 C C 1.731 176.784 174.990 0.105 0.000 1.355 304 C CA 0.567 59.639 59.018 0.090 0.000 1.774 304 C CB -1.978 25.810 27.740 0.080 0.000 2.259 304 C HN 0.382 nan 8.230 nan 0.000 0.570 305 T N -3.620 111.005 114.554 0.118 0.000 3.044 305 T HA 0.005 4.356 4.350 0.003 0.000 0.260 305 T C 1.566 176.296 174.700 0.049 0.000 1.019 305 T CA 0.649 62.838 62.100 0.148 0.000 0.921 305 T CB -0.118 68.804 68.868 0.090 0.000 1.053 305 T HN 0.423 nan 8.240 nan 0.000 0.533 306 S N 2.902 118.611 115.700 0.015 0.000 2.353 306 S HA -0.243 4.229 4.470 0.003 0.000 0.222 306 S C 2.090 176.638 174.600 -0.088 0.000 1.035 306 S CA 1.333 59.495 58.200 -0.063 0.000 1.025 306 S CB -0.566 62.571 63.200 -0.104 0.000 0.902 306 S HN 0.631 nan 8.310 nan 0.000 0.440 307 Q N -0.366 119.407 119.800 -0.045 0.000 2.123 307 Q HA -0.090 4.252 4.340 0.003 0.000 0.199 307 Q C 1.975 178.032 176.000 0.095 0.000 0.966 307 Q CA 1.181 56.978 55.803 -0.010 0.000 0.845 307 Q CB -0.318 28.411 28.738 -0.014 0.000 0.907 307 Q HN 0.709 nan 8.270 nan 0.000 0.439 308 W N 2.761 123.988 121.300 -0.120 0.000 2.318 308 W HA -0.219 4.442 4.660 0.003 0.000 0.313 308 W C 1.703 178.195 176.519 -0.044 0.000 1.221 308 W CA 1.801 59.076 57.345 -0.117 0.000 1.266 308 W CB -0.766 28.592 29.460 -0.170 0.000 1.150 308 W HN 0.114 nan 8.180 nan 0.000 0.496 309 N N -0.113 118.554 118.700 -0.056 0.000 2.142 309 N HA -0.155 4.587 4.740 0.003 0.000 0.186 309 N C 1.855 177.373 175.510 0.012 0.000 1.023 309 N CA 2.296 55.267 53.050 -0.130 0.000 0.852 309 N CB -0.585 37.824 38.487 -0.130 0.000 0.998 309 N HN 0.104 nan 8.380 nan 0.000 0.424 310 S N 0.314 116.026 115.700 0.019 0.000 2.368 310 S HA -0.035 4.437 4.470 0.003 0.000 0.225 310 S C 2.089 176.767 174.600 0.131 0.000 1.030 310 S CA 0.748 58.980 58.200 0.053 0.000 0.999 310 S CB -0.216 63.018 63.200 0.056 0.000 0.844 310 S HN 0.329 nan 8.310 nan 0.000 0.459 311 I N 1.837 122.521 120.570 0.191 0.000 2.264 311 I HA -0.231 3.940 4.170 0.003 0.000 0.248 311 I C 2.615 178.822 176.117 0.151 0.000 1.111 311 I CA 1.109 62.550 61.300 0.235 0.000 1.382 311 I CB -0.386 37.719 38.000 0.175 0.000 1.060 311 I HN 0.285 nan 8.210 nan 0.000 0.418 312 A N -0.441 122.452 122.820 0.120 0.000 1.873 312 A HA -0.270 4.052 4.320 0.003 0.000 0.215 312 A C 2.166 179.807 177.584 0.095 0.000 1.186 312 A CA 1.726 53.807 52.037 0.073 0.000 0.616 312 A CB -1.060 17.951 19.000 0.018 0.000 0.823 312 A HN 0.491 nan 8.150 nan 0.000 0.442 313 H N -2.412 116.654 119.070 -0.006 0.000 2.289 313 H HA -0.264 4.293 4.556 0.002 0.000 0.294 313 H C 1.959 176.928 175.328 -0.598 0.000 1.095 313 H CA 1.933 57.819 56.048 -0.271 0.000 1.256 313 H CB -0.155 29.184 29.762 -0.704 0.000 1.359 313 H HN 0.695 nan 8.280 nan 0.000 0.487 314 W N 1.475 122.370 121.300 -0.674 0.000 2.332 314 W HA -0.246 4.416 4.660 0.003 0.000 0.321 314 W C 2.159 178.568 176.519 -0.184 0.000 1.219 314 W CA 1.537 58.595 57.345 -0.479 0.000 1.277 314 W CB -1.095 28.324 29.460 -0.068 0.000 1.161 314 W HN 0.288 nan 8.180 nan 0.000 0.476 315 L N 0.085 121.356 121.223 0.080 0.000 2.034 315 L HA -0.333 4.008 4.340 0.003 0.000 0.217 315 L C 2.684 179.566 176.870 0.020 0.000 1.077 315 L CA 1.933 56.766 54.840 -0.012 0.000 0.769 315 L CB -1.097 40.931 42.059 -0.052 0.000 0.890 315 L HN 0.021 nan 8.230 nan 0.000 0.435 316 L N -1.436 119.799 121.223 0.020 0.000 2.056 316 L HA -0.179 4.162 4.340 0.003 0.000 0.207 316 L C 2.563 179.553 176.870 0.199 0.000 1.078 316 L CA 1.466 56.339 54.840 0.056 0.000 0.749 316 L CB -0.712 41.367 42.059 0.033 0.000 0.901 316 L HN 0.257 nan 8.230 nan 0.000 0.433 317 T N 0.224 114.873 114.554 0.159 0.000 2.674 317 T HA -0.155 4.197 4.350 0.003 0.000 0.265 317 T C 1.979 176.786 174.700 0.179 0.000 1.039 317 T CA 1.198 63.403 62.100 0.175 0.000 1.150 317 T CB -0.326 68.564 68.868 0.038 0.000 0.864 317 T HN 0.153 nan 8.240 nan 0.000 0.427 318 L N 0.515 121.846 121.223 0.180 0.000 2.013 318 L HA -0.204 4.138 4.340 0.003 0.000 0.212 318 L C 2.963 179.954 176.870 0.202 0.000 1.073 318 L CA 1.156 56.144 54.840 0.246 0.000 0.753 318 L CB -0.841 41.374 42.059 0.261 0.000 0.890 318 L HN 0.417 nan 8.230 nan 0.000 0.432 319 C N -0.577 118.831 119.300 0.181 0.000 2.440 319 C HA -0.200 4.261 4.460 0.003 0.000 0.282 319 C C 3.101 178.260 174.990 0.282 0.000 1.223 319 C CA 0.718 59.860 59.018 0.207 0.000 1.744 319 C CB -1.159 26.670 27.740 0.149 0.000 2.061 319 C HN 0.665 nan 8.230 nan 0.000 0.456 320 A N 0.732 123.771 122.820 0.365 0.000 1.882 320 A HA -0.252 4.070 4.320 0.003 0.000 0.220 320 A C 2.099 179.755 177.584 0.121 0.000 1.253 320 A CA 2.392 54.534 52.037 0.175 0.000 0.664 320 A CB -1.084 18.016 19.000 0.166 0.000 0.838 320 A HN 0.643 nan 8.150 nan 0.000 0.460 321 L N -0.769 120.558 121.223 0.174 0.000 2.012 321 L HA -0.213 4.128 4.340 0.003 0.000 0.210 321 L C 2.964 179.916 176.870 0.137 0.000 1.073 321 L CA 1.871 56.812 54.840 0.168 0.000 0.748 321 L CB -0.875 41.333 42.059 0.247 0.000 0.891 321 L HN 0.613 nan 8.230 nan 0.000 0.431 322 S N -0.277 115.514 115.700 0.152 0.000 2.353 322 S HA -0.241 4.230 4.470 0.003 0.000 0.222 322 S C 1.883 176.538 174.600 0.092 0.000 1.035 322 S CA 1.690 59.964 58.200 0.122 0.000 1.025 322 S CB -0.151 63.124 63.200 0.125 0.000 0.902 322 S HN 0.405 nan 8.310 nan 0.000 0.440 323 E N -0.035 120.224 120.200 0.097 0.000 2.051 323 E HA -0.123 4.228 4.350 0.003 0.000 0.192 323 E C 2.153 178.773 176.600 0.034 0.000 0.991 323 E CA 1.684 58.127 56.400 0.070 0.000 0.799 323 E CB -0.244 29.511 29.700 0.091 0.000 0.748 323 E HN 0.649 nan 8.360 nan 0.000 0.449 324 V N -2.021 117.904 119.914 0.019 0.000 3.041 324 V HA -0.009 4.112 4.120 0.003 0.000 0.260 324 V C 1.797 177.895 176.094 0.006 0.000 1.105 324 V CA 1.786 64.082 62.300 -0.007 0.000 1.125 324 V CB 0.385 32.187 31.823 -0.034 0.000 0.730 324 V HN 0.074 nan 8.190 nan 0.000 0.479 325 T N 0.302 114.873 114.554 0.029 0.000 2.990 325 T HA 0.171 4.522 4.350 0.003 0.000 0.250 325 T C 0.919 175.641 174.700 0.036 0.000 1.041 325 T CA 0.592 62.712 62.100 0.033 0.000 1.010 325 T CB -0.502 68.399 68.868 0.054 0.000 1.003 325 T HN 0.653 nan 8.240 nan 0.000 0.499 326 N N 0.740 119.464 118.700 0.040 0.000 2.780 326 N HA -0.129 4.613 4.740 0.003 0.000 0.248 326 N C -1.153 174.384 175.510 0.046 0.000 1.102 326 N CA 0.474 53.548 53.050 0.039 0.000 0.697 326 N CB -1.791 36.712 38.487 0.028 0.000 1.028 326 N HN 0.484 nan 8.380 nan 0.000 0.554 327 L N 0.007 121.266 121.223 0.059 0.000 2.381 327 L HA 0.491 4.832 4.340 0.003 0.000 0.268 327 L C 0.514 177.430 176.870 0.075 0.000 0.997 327 L CA -1.019 53.860 54.840 0.065 0.000 0.818 327 L CB 1.874 43.976 42.059 0.071 0.000 1.310 327 L HN 0.264 nan 8.230 nan 0.000 0.416 328 S N 1.418 117.159 115.700 0.068 0.000 2.537 328 S HA 0.152 4.623 4.470 0.003 0.000 0.286 328 S C -1.833 172.823 174.600 0.093 0.000 1.299 328 S CA -0.797 57.446 58.200 0.071 0.000 1.067 328 S CB 0.846 64.080 63.200 0.058 0.000 0.864 328 S HN 0.436 nan 8.310 nan 0.000 0.494 329 P HA -0.180 nan 4.420 nan 0.000 0.218 329 P C 0.964 178.350 177.300 0.143 0.000 1.152 329 P CA 1.522 64.706 63.100 0.140 0.000 0.857 329 P CB -0.021 31.750 31.700 0.118 0.000 0.787 330 D N -0.929 119.533 120.400 0.104 0.000 2.126 330 D HA -0.170 4.471 4.640 0.003 0.000 0.190 330 D C 1.926 178.285 176.300 0.097 0.000 1.001 330 D CA 1.192 55.248 54.000 0.094 0.000 0.841 330 D CB -0.742 40.099 40.800 0.068 0.000 0.949 330 D HN 0.189 nan 8.370 nan 0.000 0.446 331 I N 0.661 121.285 120.570 0.091 0.000 2.252 331 I HA -0.225 3.947 4.170 0.003 0.000 0.245 331 I C 2.294 178.473 176.117 0.104 0.000 1.102 331 I CA 0.426 61.778 61.300 0.086 0.000 1.385 331 I CB -0.045 38.000 38.000 0.075 0.000 1.064 331 I HN 0.011 nan 8.210 nan 0.000 0.414 332 I N 0.304 120.956 120.570 0.137 0.000 2.118 332 I HA -0.339 3.833 4.170 0.003 0.000 0.241 332 I C 2.614 178.824 176.117 0.155 0.000 1.070 332 I CA 1.744 63.152 61.300 0.180 0.000 1.327 332 I CB -1.302 36.851 38.000 0.256 0.000 1.034 332 I HN 0.332 nan 8.210 nan 0.000 0.405 333 Q N 1.164 121.078 119.800 0.189 0.000 2.096 333 Q HA -0.116 4.226 4.340 0.003 0.000 0.204 333 Q C 2.166 178.171 176.000 0.008 0.000 0.982 333 Q CA 2.341 58.221 55.803 0.129 0.000 0.850 333 Q CB -0.452 28.433 28.738 0.245 0.000 0.901 333 Q HN 0.482 nan 8.270 nan 0.000 0.422 334 A N -0.040 122.811 122.820 0.053 0.000 2.125 334 A HA -0.097 4.224 4.320 0.003 0.000 0.219 334 A C 1.167 178.783 177.584 0.054 0.000 1.156 334 A CA 1.401 53.465 52.037 0.044 0.000 0.671 334 A CB -0.216 18.817 19.000 0.055 0.000 0.794 334 A HN 0.461 nan 8.150 nan 0.000 0.459 335 N N -0.237 118.492 118.700 0.048 0.000 2.351 335 N HA 0.201 4.943 4.740 0.003 0.000 0.254 335 N C -0.933 174.593 175.510 0.027 0.000 1.241 335 N CA 0.179 53.296 53.050 0.111 0.000 0.883 335 N CB 0.874 39.428 38.487 0.113 0.000 1.202 335 N HN 0.255 nan 8.380 nan 0.000 0.512 336 S N 0.274 115.803 115.700 -0.285 0.000 2.671 336 S HA 0.607 5.078 4.470 0.003 0.000 0.277 336 S C -1.500 172.348 174.600 -1.254 0.000 1.165 336 S CA -0.553 57.168 58.200 -0.798 0.000 0.822 336 S CB 2.428 65.241 63.200 -0.646 0.000 1.150 336 S HN 0.123 nan 8.310 nan 0.000 0.479 337 L N 1.787 122.140 121.223 -1.450 0.000 2.516 337 L HA 0.680 5.022 4.340 0.003 0.000 0.267 337 L C -2.133 174.090 176.870 -1.078 0.000 0.957 337 L CA -0.184 53.904 54.840 -1.254 0.000 0.860 337 L CB 0.892 42.252 42.059 -1.164 0.000 1.265 337 L HN 0.568 nan 8.230 nan 0.000 0.403 338 F N 1.831 121.361 119.950 -0.700 0.000 2.470 338 F HA 0.714 5.243 4.527 0.002 0.000 0.329 338 F C 0.586 175.880 175.800 -0.844 0.000 1.072 338 F CA -0.881 56.595 58.000 -0.873 0.000 0.989 338 F CB 2.060 40.300 39.000 -1.268 0.000 1.193 338 F HN 0.324 nan 8.300 nan 0.000 0.481 339 S N 2.014 117.343 115.700 -0.618 0.000 2.596 339 S HA 0.698 5.170 4.470 0.003 0.000 0.318 339 S C -1.477 172.761 174.600 -0.603 0.000 1.097 339 S CA -0.399 57.437 58.200 -0.607 0.000 1.080 339 S CB 0.207 62.940 63.200 -0.777 0.000 0.991 339 S HN 0.314 nan 8.310 nan 0.000 0.471 340 F N 2.715 122.656 119.950 -0.015 0.000 2.529 340 F HA 0.455 4.983 4.527 0.002 0.000 0.320 340 F C -0.545 175.381 175.800 0.210 0.000 1.118 340 F CA -1.076 56.910 58.000 -0.024 0.000 0.915 340 F CB 1.321 40.157 39.000 -0.274 0.000 1.161 340 F HN 0.541 nan 8.300 nan 0.000 0.445 341 Y N 2.525 122.975 120.300 0.250 0.000 2.628 341 Y HA 0.511 5.063 4.550 0.003 0.000 0.354 341 Y C 0.523 176.388 175.900 -0.059 0.000 1.061 341 Y CA -0.214 57.910 58.100 0.040 0.000 1.251 341 Y CB 0.769 39.110 38.460 -0.198 0.000 1.098 341 Y HN 0.835 nan 8.280 nan 0.000 0.626 342 G N 3.695 112.497 108.800 0.002 0.000 2.675 342 G HA2 -0.463 3.498 3.960 0.003 0.000 0.312 342 G HA3 -0.463 3.498 3.960 0.003 0.000 0.312 342 G C 0.858 175.577 174.900 -0.303 0.000 1.186 342 G CA 1.013 46.056 45.100 -0.095 0.000 0.965 342 G HN 0.657 nan 8.290 nan 0.000 0.548 343 D N 1.275 121.410 120.400 -0.442 0.000 2.348 343 D HA 0.206 4.847 4.640 0.003 0.000 0.211 343 D C 0.600 176.846 176.300 -0.090 0.000 0.998 343 D CA 0.820 54.353 54.000 -0.779 0.000 0.873 343 D CB -0.118 40.339 40.800 -0.572 0.000 0.925 343 D HN 0.354 nan 8.370 nan 0.000 0.524 344 D N 0.923 121.341 120.400 0.031 0.000 2.341 344 D HA 0.257 4.898 4.640 0.003 0.000 0.245 344 D C -0.040 176.454 176.300 0.324 0.000 1.106 344 D CA 0.055 54.108 54.000 0.088 0.000 0.905 344 D CB 0.855 41.503 40.800 -0.253 0.000 1.202 344 D HN 0.462 nan 8.370 nan 0.000 0.426 345 E N 1.362 121.788 120.200 0.376 0.000 2.352 345 E HA 0.499 4.850 4.350 0.003 0.000 0.280 345 E C -1.438 175.227 176.600 0.107 0.000 0.930 345 E CA -0.775 55.791 56.400 0.276 0.000 0.765 345 E CB 0.942 30.825 29.700 0.304 0.000 1.219 345 E HN 0.216 nan 8.360 nan 0.000 0.434 346 I N 2.589 123.039 120.570 -0.200 0.000 2.418 346 I HA 0.279 4.451 4.170 0.003 0.000 0.287 346 I C -1.044 174.874 176.117 -0.330 0.000 1.008 346 I CA -0.916 60.167 61.300 -0.361 0.000 1.104 346 I CB 2.075 39.651 38.000 -0.706 0.000 1.264 346 I HN 0.435 nan 8.210 nan 0.000 0.438 347 V N 5.454 125.140 119.914 -0.380 0.000 2.347 347 V HA 0.455 4.576 4.120 0.003 0.000 0.280 347 V C -0.089 175.890 176.094 -0.192 0.000 1.021 347 V CA -0.306 61.801 62.300 -0.322 0.000 0.847 347 V CB 1.321 32.707 31.823 -0.729 0.000 0.990 347 V HN 0.722 nan 8.190 nan 0.000 0.444 348 S N 3.194 118.875 115.700 -0.032 0.000 2.482 348 S HA 0.796 5.268 4.470 0.003 0.000 0.303 348 S C -0.172 174.306 174.600 -0.202 0.000 1.091 348 S CA -0.495 57.695 58.200 -0.017 0.000 1.057 348 S CB 2.004 65.305 63.200 0.167 0.000 1.031 348 S HN 0.841 nan 8.310 nan 0.000 0.485 349 T N 0.479 115.004 114.554 -0.048 0.000 2.843 349 T HA 0.372 4.724 4.350 0.003 0.000 0.302 349 T C -0.810 174.029 174.700 0.231 0.000 1.232 349 T CA -0.530 61.594 62.100 0.041 0.000 1.009 349 T CB 1.527 70.485 68.868 0.149 0.000 1.254 349 T HN 0.403 nan 8.240 nan 0.000 0.504 350 D N 1.212 121.775 120.400 0.272 0.000 2.366 350 D HA 0.288 4.930 4.640 0.003 0.000 0.205 350 D C 0.489 176.966 176.300 0.295 0.000 1.022 350 D CA 0.294 54.446 54.000 0.253 0.000 0.868 350 D CB 0.242 41.156 40.800 0.189 0.000 0.953 350 D HN 0.493 nan 8.370 nan 0.000 0.514 351 I N 1.397 122.113 120.570 0.243 0.000 2.441 351 I HA 0.018 4.189 4.170 0.003 0.000 0.287 351 I C 0.901 177.069 176.117 0.086 0.000 1.049 351 I CA -0.202 61.197 61.300 0.165 0.000 1.381 351 I CB 0.883 38.956 38.000 0.123 0.000 1.409 351 I HN -0.397 nan 8.210 nan 0.000 0.523 352 K N 7.057 127.458 120.400 0.002 0.000 2.383 352 K HA 0.352 4.674 4.320 0.003 0.000 0.286 352 K C -1.034 175.455 176.600 -0.186 0.000 1.051 352 K CA -0.221 55.917 56.287 -0.249 0.000 0.974 352 K CB 0.389 32.808 32.500 -0.135 0.000 0.968 352 K HN 0.488 nan 8.250 nan 0.000 0.475 353 L N 2.934 123.998 121.223 -0.264 0.000 2.325 353 L HA 0.249 4.591 4.340 0.003 0.000 0.278 353 L C 0.102 176.885 176.870 -0.145 0.000 1.023 353 L CA -1.003 53.752 54.840 -0.142 0.000 0.811 353 L CB 1.347 43.351 42.059 -0.091 0.000 1.249 353 L HN 0.547 nan 8.230 nan 0.000 0.431 354 D N 4.398 124.739 120.400 -0.099 0.000 2.338 354 D HA 0.115 4.756 4.640 0.003 0.000 0.255 354 D C -1.529 174.709 176.300 -0.102 0.000 1.237 354 D CA -1.841 52.105 54.000 -0.090 0.000 0.883 354 D CB 1.597 42.357 40.800 -0.066 0.000 1.087 354 D HN 0.253 nan 8.370 nan 0.000 0.485 355 P HA -0.163 nan 4.420 nan 0.000 0.215 355 P C 0.924 178.156 177.300 -0.112 0.000 1.153 355 P CA 1.088 64.114 63.100 -0.122 0.000 0.853 355 P CB 0.469 32.111 31.700 -0.096 0.000 0.788 356 E N 0.808 120.957 120.200 -0.085 0.000 2.051 356 E HA -0.192 4.160 4.350 0.003 0.000 0.192 356 E C 2.154 178.704 176.600 -0.083 0.000 0.991 356 E CA 1.164 57.518 56.400 -0.075 0.000 0.799 356 E CB -0.538 29.127 29.700 -0.058 0.000 0.748 356 E HN 0.332 nan 8.360 nan 0.000 0.449 357 K N 0.556 120.908 120.400 -0.080 0.000 2.063 357 K HA -0.156 4.166 4.320 0.003 0.000 0.208 357 K C 2.277 178.815 176.600 -0.103 0.000 1.048 357 K CA 0.869 57.108 56.287 -0.080 0.000 0.928 357 K CB -0.171 32.290 32.500 -0.065 0.000 0.713 357 K HN -0.007 nan 8.250 nan 0.000 0.442 358 L N 0.614 121.766 121.223 -0.119 0.000 2.056 358 L HA -0.130 4.212 4.340 0.003 0.000 0.207 358 L C 1.953 178.727 176.870 -0.159 0.000 1.078 358 L CA 1.855 56.608 54.840 -0.145 0.000 0.749 358 L CB -0.606 41.342 42.059 -0.185 0.000 0.901 358 L HN 0.081 nan 8.230 nan 0.000 0.433 359 T N -0.031 114.433 114.554 -0.151 0.000 2.737 359 T HA -0.129 4.223 4.350 0.003 0.000 0.265 359 T C 1.939 176.575 174.700 -0.106 0.000 1.038 359 T CA 1.334 63.359 62.100 -0.126 0.000 1.144 359 T CB -0.538 68.262 68.868 -0.112 0.000 0.866 359 T HN 0.544 nan 8.240 nan 0.000 0.434 360 A N 1.909 124.667 122.820 -0.103 0.000 1.884 360 A HA -0.242 4.079 4.320 0.003 0.000 0.219 360 A C 2.171 179.672 177.584 -0.138 0.000 1.197 360 A CA 2.471 54.449 52.037 -0.099 0.000 0.637 360 A CB -0.657 18.292 19.000 -0.086 0.000 0.827 360 A HN 0.413 nan 8.150 nan 0.000 0.450 361 K N -0.113 120.176 120.400 -0.185 0.000 2.057 361 K HA 0.005 4.326 4.320 0.003 0.000 0.207 361 K C 1.782 178.097 176.600 -0.475 0.000 1.049 361 K CA 1.490 57.588 56.287 -0.316 0.000 0.931 361 K CB -0.602 31.709 32.500 -0.314 0.000 0.714 361 K HN 0.469 nan 8.250 nan 0.000 0.440 362 L N 0.408 121.451 121.223 -0.300 0.000 2.083 362 L HA -0.174 4.168 4.340 0.003 0.000 0.209 362 L C 2.135 178.953 176.870 -0.087 0.000 1.083 362 L CA 1.545 56.281 54.840 -0.174 0.000 0.752 362 L CB -0.278 41.806 42.059 0.041 0.000 0.899 362 L HN 0.176 nan 8.230 nan 0.000 0.433 363 K N -0.430 119.922 120.400 -0.080 0.000 2.288 363 K HA -0.179 4.143 4.320 0.003 0.000 0.201 363 K C 1.893 178.462 176.600 -0.051 0.000 1.048 363 K CA 0.754 57.014 56.287 -0.045 0.000 0.956 363 K CB 0.006 32.481 32.500 -0.042 0.000 0.746 363 K HN 0.309 nan 8.250 nan 0.000 0.461 364 E N 0.330 120.474 120.200 -0.094 0.000 2.072 364 E HA -0.170 4.181 4.350 0.003 0.000 0.191 364 E C 1.013 177.654 176.600 0.069 0.000 0.985 364 E CA 0.928 57.300 56.400 -0.046 0.000 0.801 364 E CB 0.078 29.721 29.700 -0.094 0.000 0.750 364 E HN 0.268 nan 8.360 nan 0.000 0.452 365 Y N -0.145 120.112 120.300 -0.071 0.000 2.680 365 Y HA 0.117 4.669 4.550 0.002 0.000 0.303 365 Y C 1.744 177.551 175.900 -0.155 0.000 1.166 365 Y CA 0.882 58.916 58.100 -0.110 0.000 1.344 365 Y CB -0.278 38.109 38.460 -0.122 0.000 1.002 365 Y HN 0.322 nan 8.280 nan 0.000 0.537 366 G N -0.323 108.487 108.800 0.016 0.000 2.176 366 G HA2 -0.272 3.690 3.960 0.003 0.000 0.253 366 G HA3 -0.272 3.690 3.960 0.003 0.000 0.253 366 G C 0.195 175.029 174.900 -0.111 0.000 0.979 366 G CA 0.209 45.270 45.100 -0.067 0.000 0.641 366 G HN 0.294 nan 8.290 nan 0.000 0.530 367 L N -0.120 121.052 121.223 -0.085 0.000 2.466 367 L HA 0.536 4.878 4.340 0.003 0.000 0.257 367 L C 0.580 177.483 176.870 0.055 0.000 1.189 367 L CA -0.429 54.362 54.840 -0.082 0.000 0.813 367 L CB 0.550 42.559 42.059 -0.082 0.000 1.118 367 L HN -0.096 nan 8.230 nan 0.000 0.471 368 K N 1.708 122.200 120.400 0.154 0.000 2.592 368 K HA 0.370 4.691 4.320 0.003 0.000 0.212 368 K C -2.614 174.096 176.600 0.182 0.000 1.013 368 K CA -1.691 54.671 56.287 0.125 0.000 1.034 368 K CB 1.294 33.829 32.500 0.057 0.000 1.292 368 K HN 0.190 nan 8.250 nan 0.000 0.521 369 P HA 0.105 nan 4.420 nan 0.000 0.271 369 P C -0.531 176.731 177.300 -0.063 0.000 1.216 369 P CA 0.059 63.111 63.100 -0.079 0.000 0.771 369 P CB 0.762 32.400 31.700 -0.104 0.000 0.864 370 T N 3.653 118.153 114.554 -0.091 0.000 2.829 370 T HA 0.371 4.722 4.350 0.003 0.000 0.280 370 T C 0.083 174.752 174.700 -0.050 0.000 0.999 370 T CA -0.736 61.336 62.100 -0.046 0.000 0.983 370 T CB 0.943 69.802 68.868 -0.016 0.000 0.968 370 T HN 0.186 nan 8.240 nan 0.000 0.446 371 R N 2.738 123.218 120.500 -0.033 0.000 2.490 371 R HA 0.220 4.562 4.340 0.003 0.000 0.278 371 R C -1.688 174.604 176.300 -0.013 0.000 1.069 371 R CA -1.891 54.194 56.100 -0.024 0.000 1.080 371 R CB 0.689 30.976 30.300 -0.022 0.000 1.030 371 R HN 0.383 nan 8.270 nan 0.000 0.491 372 P HA -0.165 nan 4.420 nan 0.000 0.216 372 P C 0.326 177.625 177.300 -0.001 0.000 1.150 372 P CA 1.331 64.430 63.100 -0.003 0.000 0.837 372 P CB 0.137 31.836 31.700 -0.001 0.000 0.786 373 D N -1.403 118.996 120.400 -0.003 0.000 2.325 373 D HA -0.003 4.639 4.640 0.003 0.000 0.225 373 D C 0.488 176.787 176.300 -0.002 0.000 1.096 373 D CA -0.170 53.830 54.000 -0.002 0.000 0.844 373 D CB -0.670 40.129 40.800 -0.002 0.000 0.925 373 D HN 0.049 nan 8.370 nan 0.000 0.513 374 K N -0.956 119.442 120.400 -0.004 0.000 3.495 374 K HA -0.187 4.135 4.320 0.003 0.000 0.315 374 K C -0.093 176.503 176.600 -0.007 0.000 1.301 374 K CA 1.401 57.686 56.287 -0.004 0.000 0.985 374 K CB -2.383 30.117 32.500 0.001 0.000 1.244 374 K HN 0.560 nan 8.250 nan 0.000 0.433 375 T N 0.172 114.720 114.554 -0.008 0.000 2.904 375 T HA 0.183 4.534 4.350 0.003 0.000 0.290 375 T C 0.218 174.910 174.700 -0.015 0.000 1.018 375 T CA -0.960 61.134 62.100 -0.010 0.000 1.075 375 T CB 1.756 70.618 68.868 -0.010 0.000 0.986 375 T HN 0.225 nan 8.240 nan 0.000 0.523 376 E N 0.922 121.113 120.200 -0.015 0.000 2.324 376 E HA 0.452 4.804 4.350 0.003 0.000 0.271 376 E C 0.142 176.729 176.600 -0.022 0.000 1.028 376 E CA -0.435 55.953 56.400 -0.019 0.000 0.890 376 E CB -0.070 29.620 29.700 -0.018 0.000 1.004 376 E HN 1.101 nan 8.360 nan 0.000 0.431 377 G N 3.854 112.638 108.800 -0.027 0.000 2.350 377 G HA2 0.119 4.081 3.960 0.003 0.000 0.304 377 G HA3 0.119 4.081 3.960 0.003 0.000 0.304 377 G C -3.028 171.849 174.900 -0.039 0.000 1.421 377 G CA -0.773 44.309 45.100 -0.030 0.000 0.934 377 G HN 0.524 nan 8.290 nan 0.000 0.632 378 P HA 0.374 nan 4.420 nan 0.000 0.274 378 P C 0.464 177.726 177.300 -0.064 0.000 1.246 378 P CA -0.453 62.612 63.100 -0.059 0.000 0.795 378 P CB 0.927 32.592 31.700 -0.058 0.000 1.006 379 L N 0.660 121.827 121.223 -0.093 0.000 2.483 379 L HA 0.060 4.401 4.340 0.003 0.000 0.275 379 L C 0.141 176.974 176.870 -0.062 0.000 1.220 379 L CA -0.155 54.626 54.840 -0.099 0.000 0.833 379 L CB 0.480 42.422 42.059 -0.195 0.000 1.102 379 L HN 0.109 nan 8.230 nan 0.000 0.490 380 V N 4.929 124.832 119.914 -0.018 0.000 2.370 380 V HA 0.331 4.452 4.120 0.003 0.000 0.279 380 V C 0.165 176.298 176.094 0.065 0.000 1.029 380 V CA -0.362 61.948 62.300 0.016 0.000 0.870 380 V CB 1.484 33.323 31.823 0.027 0.000 0.984 380 V HN 0.435 nan 8.190 nan 0.000 0.451 381 I N 3.864 124.472 120.570 0.064 0.000 2.392 381 I HA 0.487 4.658 4.170 0.003 0.000 0.295 381 I C 0.269 176.476 176.117 0.150 0.000 0.985 381 I CA 0.260 61.638 61.300 0.130 0.000 1.221 381 I CB 1.924 39.967 38.000 0.072 0.000 1.366 381 I HN 0.633 nan 8.210 nan 0.000 0.467 382 S N 3.924 119.745 115.700 0.201 0.000 2.536 382 S HA 0.358 4.830 4.470 0.003 0.000 0.298 382 S C 0.393 175.127 174.600 0.223 0.000 1.083 382 S CA -0.660 57.655 58.200 0.191 0.000 0.995 382 S CB 1.235 64.534 63.200 0.164 0.000 1.058 382 S HN 0.662 nan 8.310 nan 0.000 0.488 383 E N 1.736 122.038 120.200 0.170 0.000 2.476 383 E HA 0.096 4.447 4.350 0.003 0.000 0.191 383 E C -0.780 175.914 176.600 0.157 0.000 1.064 383 E CA 0.139 56.591 56.400 0.087 0.000 0.866 383 E CB 0.170 29.892 29.700 0.036 0.000 0.952 383 E HN 0.476 nan 8.360 nan 0.000 0.492 384 D N 0.564 121.107 120.400 0.238 0.000 2.788 384 D HA 0.080 4.722 4.640 0.003 0.000 0.247 384 D C 0.112 176.475 176.300 0.105 0.000 1.236 384 D CA -0.524 53.596 54.000 0.200 0.000 0.898 384 D CB 1.733 42.609 40.800 0.127 0.000 1.401 384 D HN -0.108 nan 8.370 nan 0.000 0.549 385 L N 4.046 125.183 121.223 -0.144 0.000 2.201 385 L HA 0.168 4.510 4.340 0.003 0.000 0.212 385 L C 0.440 177.179 176.870 -0.219 0.000 1.105 385 L CA 0.911 55.407 54.840 -0.574 0.000 0.775 385 L CB -0.696 40.725 42.059 -1.062 0.000 0.913 385 L HN 0.410 nan 8.230 nan 0.000 0.440 386 N N 0.856 119.638 118.700 0.136 0.000 2.374 386 N HA 0.197 4.939 4.740 0.003 0.000 0.269 386 N C 1.054 176.549 175.510 -0.026 0.000 1.310 386 N CA 1.242 54.376 53.050 0.141 0.000 0.877 386 N CB 0.127 38.673 38.487 0.099 0.000 1.096 386 N HN 0.502 nan 8.380 nan 0.000 0.484 387 G N 1.905 110.648 108.800 -0.095 0.000 2.179 387 G HA2 -0.249 3.713 3.960 0.003 0.000 0.220 387 G HA3 -0.249 3.713 3.960 0.003 0.000 0.220 387 G C 0.193 175.017 174.900 -0.128 0.000 0.990 387 G CA 0.068 45.105 45.100 -0.104 0.000 0.646 387 G HN 0.535 nan 8.290 nan 0.000 0.517 388 L N 0.404 121.514 121.223 -0.189 0.000 2.470 388 L HA 0.728 5.069 4.340 0.003 0.000 0.243 388 L C 0.929 177.663 176.870 -0.227 0.000 1.227 388 L CA 0.472 55.188 54.840 -0.206 0.000 0.824 388 L CB 1.039 42.931 42.059 -0.280 0.000 1.175 388 L HN 0.110 nan 8.230 nan 0.000 0.503 389 T N 0.273 114.727 114.554 -0.167 0.000 2.952 389 T HA 0.548 4.899 4.350 0.003 0.000 0.305 389 T C -1.720 173.009 174.700 0.048 0.000 1.064 389 T CA -0.289 61.758 62.100 -0.088 0.000 1.008 389 T CB 0.774 69.610 68.868 -0.054 0.000 1.078 389 T HN 0.255 nan 8.240 nan 0.000 0.459 390 F N 3.540 123.410 119.950 -0.134 0.000 2.628 390 F HA 0.500 5.029 4.527 0.002 0.000 0.309 390 F C -0.328 175.444 175.800 -0.046 0.000 1.108 390 F CA -1.271 56.690 58.000 -0.065 0.000 0.971 390 F CB 1.137 40.137 39.000 -0.000 0.000 1.279 390 F HN 0.551 nan 8.300 nan 0.000 0.441 391 L N 6.538 127.429 121.223 -0.554 0.000 3.854 391 L HA -0.353 3.989 4.340 0.003 0.000 0.460 391 L C 0.725 177.478 176.870 -0.194 0.000 1.228 391 L CA 1.074 55.645 54.840 -0.449 0.000 0.760 391 L CB -1.403 40.397 42.059 -0.432 0.000 1.597 391 L HN 0.844 nan 8.230 nan 0.000 0.852 392 R N -2.769 117.645 120.500 -0.144 0.000 3.946 392 R HA -0.183 4.158 4.340 0.003 0.000 0.329 392 R C 0.100 176.377 176.300 -0.038 0.000 1.209 392 R CA 1.178 57.234 56.100 -0.074 0.000 0.909 392 R CB -1.434 28.828 30.300 -0.063 0.000 1.355 392 R HN 0.540 nan 8.270 nan 0.000 0.539 393 R N 0.831 121.318 120.500 -0.021 0.000 2.711 393 R HA 0.384 4.725 4.340 0.003 0.000 0.284 393 R C -0.160 176.103 176.300 -0.061 0.000 0.968 393 R CA -0.748 55.345 56.100 -0.012 0.000 0.924 393 R CB 1.646 31.971 30.300 0.042 0.000 1.162 393 R HN -0.087 nan 8.270 nan 0.000 0.465 394 T N 1.778 116.265 114.554 -0.111 0.000 2.743 394 T HA 0.134 4.485 4.350 0.003 0.000 0.293 394 T C 0.392 174.907 174.700 -0.307 0.000 0.945 394 T CA -0.566 61.422 62.100 -0.185 0.000 1.030 394 T CB 1.086 69.858 68.868 -0.159 0.000 0.912 394 T HN 0.428 nan 8.240 nan 0.000 0.483 395 V N 3.822 123.480 119.914 -0.428 0.000 2.555 395 V HA 0.632 4.754 4.120 0.003 0.000 0.286 395 V C -0.250 175.641 176.094 -0.340 0.000 1.044 395 V CA 0.049 61.981 62.300 -0.613 0.000 1.026 395 V CB 0.397 31.488 31.823 -1.221 0.000 0.981 395 V HN 0.927 nan 8.190 nan 0.000 0.480 396 T N 6.291 120.617 114.554 -0.381 0.000 2.906 396 T HA 0.564 4.915 4.350 0.003 0.000 0.295 396 T C -0.593 173.846 174.700 -0.436 0.000 1.061 396 T CA -0.701 61.131 62.100 -0.447 0.000 1.000 396 T CB 1.788 70.181 68.868 -0.791 0.000 1.103 396 T HN 0.824 nan 8.240 nan 0.000 0.486 397 R N 1.988 122.140 120.500 -0.579 0.000 2.494 397 R HA 0.525 4.867 4.340 0.003 0.000 0.305 397 R C -1.411 174.712 176.300 -0.295 0.000 0.959 397 R CA -0.530 55.101 56.100 -0.783 0.000 0.864 397 R CB 1.175 30.682 30.300 -1.322 0.000 1.159 397 R HN 0.908 nan 8.270 nan 0.000 0.446 398 D N 3.609 123.945 120.400 -0.108 0.000 2.477 398 D HA 0.364 5.006 4.640 0.003 0.000 0.234 398 D C -1.893 174.383 176.300 -0.040 0.000 1.048 398 D CA -1.875 52.123 54.000 -0.003 0.000 0.959 398 D CB 1.141 42.034 40.800 0.156 0.000 1.408 398 D HN 0.121 nan 8.370 nan 0.000 0.496 399 P HA -0.275 nan 4.420 nan 0.000 0.219 399 P C 1.094 178.414 177.300 0.032 0.000 1.149 399 P CA 2.395 65.495 63.100 -0.001 0.000 0.835 399 P CB -0.048 31.663 31.700 0.019 0.000 0.778 400 A N -1.159 121.716 122.820 0.091 0.000 1.872 400 A HA 0.340 4.662 4.320 0.003 0.000 0.214 400 A C 1.490 179.148 177.584 0.123 0.000 1.187 400 A CA 1.870 54.007 52.037 0.168 0.000 0.614 400 A CB -0.832 18.384 19.000 0.361 0.000 0.826 400 A HN 0.404 nan 8.150 nan 0.000 0.442 401 G N -3.264 105.576 108.800 0.067 0.000 2.498 401 G HA2 0.369 4.330 3.960 0.003 0.000 0.181 401 G HA3 0.369 4.330 3.960 0.003 0.000 0.181 401 G C -1.788 173.092 174.900 -0.033 0.000 1.169 401 G CA -0.495 44.637 45.100 0.053 0.000 0.992 401 G HN 0.308 nan 8.290 nan 0.000 0.490 402 W N 0.549 121.958 121.300 0.181 0.000 2.606 402 W HA 0.756 5.418 4.660 0.003 0.000 0.332 402 W C -0.329 176.387 176.519 0.328 0.000 1.052 402 W CA -0.507 56.960 57.345 0.203 0.000 1.223 402 W CB 1.889 31.453 29.460 0.173 0.000 1.383 402 W HN 0.632 nan 8.180 nan 0.000 0.524 403 F N 0.324 120.498 119.950 0.372 0.000 2.713 403 F HA 0.850 5.378 4.527 0.002 0.000 0.311 403 F C -0.497 175.474 175.800 0.285 0.000 1.141 403 F CA -1.925 56.219 58.000 0.241 0.000 0.939 403 F CB 0.788 39.774 39.000 -0.023 0.000 1.325 403 F HN 0.428 nan 8.300 nan 0.000 0.453 404 G N 1.777 110.772 108.800 0.326 0.000 2.384 404 G HA2 0.563 4.524 3.960 0.003 0.000 0.316 404 G HA3 0.563 4.524 3.960 0.003 0.000 0.316 404 G C -1.654 173.288 174.900 0.071 0.000 1.160 404 G CA -1.023 44.180 45.100 0.173 0.000 0.936 404 G HN 0.892 nan 8.290 nan 0.000 0.455 405 K N 1.665 122.000 120.400 -0.108 0.000 2.164 405 K HA 0.712 5.034 4.320 0.003 0.000 0.258 405 K C -0.807 175.784 176.600 -0.014 0.000 0.951 405 K CA -1.032 55.227 56.287 -0.047 0.000 0.844 405 K CB 2.518 34.903 32.500 -0.191 0.000 1.099 405 K HN 0.298 nan 8.250 nan 0.000 0.435 406 L N 2.046 123.327 121.223 0.097 0.000 2.326 406 L HA 0.195 4.537 4.340 0.003 0.000 0.278 406 L C -0.368 176.602 176.870 0.167 0.000 1.092 406 L CA 0.117 55.021 54.840 0.107 0.000 0.810 406 L CB 0.899 43.017 42.059 0.099 0.000 1.153 406 L HN 0.685 nan 8.230 nan 0.000 0.439 407 E N 3.817 124.055 120.200 0.064 0.000 2.529 407 E HA -0.084 4.267 4.350 0.003 0.000 0.259 407 E C 0.491 177.071 176.600 -0.034 0.000 0.966 407 E CA 0.150 56.561 56.400 0.017 0.000 0.937 407 E CB 0.469 30.156 29.700 -0.022 0.000 0.923 407 E HN 0.644 nan 8.360 nan 0.000 0.468 408 Q N 1.716 121.418 119.800 -0.164 0.000 2.077 408 Q HA -0.206 4.136 4.340 0.003 0.000 0.206 408 Q C 2.261 178.224 176.000 -0.061 0.000 0.989 408 Q CA 2.018 57.633 55.803 -0.314 0.000 0.853 408 Q CB -0.229 28.186 28.738 -0.539 0.000 0.907 408 Q HN 0.640 nan 8.270 nan 0.000 0.418 409 S N 0.786 116.445 115.700 -0.070 0.000 2.383 409 S HA -0.148 4.324 4.470 0.003 0.000 0.229 409 S C 2.182 176.743 174.600 -0.066 0.000 1.030 409 S CA 1.475 59.636 58.200 -0.065 0.000 1.002 409 S CB -0.386 62.727 63.200 -0.145 0.000 0.829 409 S HN 0.203 nan 8.310 nan 0.000 0.467 410 S N 2.559 118.223 115.700 -0.060 0.000 2.356 410 S HA 0.010 4.482 4.470 0.003 0.000 0.223 410 S C 1.853 176.489 174.600 0.061 0.000 1.032 410 S CA 1.496 59.684 58.200 -0.020 0.000 1.005 410 S CB -0.637 62.564 63.200 0.002 0.000 0.867 410 S HN 0.515 nan 8.310 nan 0.000 0.449 411 I N 1.483 122.115 120.570 0.104 0.000 2.099 411 I HA -0.220 3.951 4.170 0.003 0.000 0.239 411 I C 2.342 178.540 176.117 0.134 0.000 1.066 411 I CA 1.229 62.623 61.300 0.157 0.000 1.324 411 I CB -0.524 37.633 38.000 0.261 0.000 1.037 411 I HN 0.197 nan 8.210 nan 0.000 0.401 412 L N 0.164 121.488 121.223 0.167 0.000 1.978 412 L HA -0.305 4.037 4.340 0.003 0.000 0.218 412 L C 2.852 179.850 176.870 0.213 0.000 1.075 412 L CA 1.602 56.546 54.840 0.173 0.000 0.767 412 L CB -0.523 41.673 42.059 0.228 0.000 0.890 412 L HN 0.177 nan 8.230 nan 0.000 0.434 413 R N -0.475 120.149 120.500 0.206 0.000 2.159 413 R HA -0.283 4.059 4.340 0.003 0.000 0.252 413 R C 2.204 178.702 176.300 0.330 0.000 1.144 413 R CA 2.221 58.492 56.100 0.284 0.000 0.961 413 R CB -0.287 30.086 30.300 0.122 0.000 0.877 413 R HN 0.533 nan 8.270 nan 0.000 0.444 414 Q N -0.896 119.025 119.800 0.202 0.000 2.435 414 Q HA -0.042 4.300 4.340 0.003 0.000 0.207 414 Q C 1.848 177.901 176.000 0.087 0.000 0.956 414 Q CA 0.472 56.388 55.803 0.188 0.000 0.917 414 Q CB 0.174 29.002 28.738 0.151 0.000 0.997 414 Q HN 0.277 nan 8.270 nan 0.000 0.497 415 M N -0.758 118.821 119.600 -0.034 0.000 2.086 415 M HA -0.145 4.337 4.480 0.003 0.000 0.261 415 M C 1.317 177.414 176.300 -0.339 0.000 1.067 415 M CA 1.729 56.858 55.300 -0.286 0.000 1.116 415 M CB -0.854 31.406 32.600 -0.568 0.000 1.348 415 M HN 0.244 nan 8.290 nan 0.000 0.407 416 Y N -3.000 117.272 120.300 -0.045 0.000 2.510 416 Y HA 0.012 4.563 4.550 0.002 0.000 0.273 416 Y C 0.155 175.867 175.900 -0.314 0.000 1.119 416 Y CA -0.316 57.647 58.100 -0.229 0.000 1.286 416 Y CB -0.097 38.151 38.460 -0.353 0.000 1.061 416 Y HN 0.122 nan 8.280 nan 0.000 0.542 417 W N 0.072 121.499 121.300 0.211 0.000 2.475 417 W HA 0.488 5.151 4.660 0.005 0.000 0.320 417 W C -0.157 176.506 176.519 0.240 0.000 1.022 417 W CA -0.932 56.557 57.345 0.239 0.000 1.240 417 W CB 1.608 31.185 29.460 0.196 0.000 1.328 417 W HN -0.435 nan 8.180 nan 0.000 0.439 418 T N 3.440 118.277 114.554 0.472 0.000 2.895 418 T HA 0.525 4.877 4.350 0.003 0.000 0.283 418 T C 0.141 175.041 174.700 0.334 0.000 1.014 418 T CA -0.656 61.623 62.100 0.299 0.000 1.037 418 T CB 0.680 69.623 68.868 0.124 0.000 1.006 418 T HN 0.384 nan 8.240 nan 0.000 0.468 419 R N 2.011 122.600 120.500 0.147 0.000 2.490 419 R HA 0.607 4.948 4.340 0.003 0.000 0.280 419 R C 0.589 176.817 176.300 -0.119 0.000 1.077 419 R CA -0.251 55.853 56.100 0.008 0.000 1.065 419 R CB 1.056 31.292 30.300 -0.107 0.000 1.003 419 R HN 0.836 nan 8.270 nan 0.000 0.470 420 G N 2.282 111.061 108.800 -0.035 0.000 2.753 420 G HA2 0.440 4.401 3.960 0.003 0.000 0.303 420 G HA3 0.440 4.401 3.960 0.003 0.000 0.303 420 G C -2.853 172.090 174.900 0.072 0.000 1.242 420 G CA -0.825 44.160 45.100 -0.193 0.000 0.810 420 G HN 0.341 nan 8.290 nan 0.000 0.515 421 P HA 0.254 nan 4.420 nan 0.000 0.274 421 P C -0.668 176.850 177.300 0.364 0.000 1.246 421 P CA -0.690 62.534 63.100 0.207 0.000 0.795 421 P CB 0.469 32.266 31.700 0.161 0.000 1.006 422 N N 1.027 119.860 118.700 0.221 0.000 2.475 422 N HA 0.092 4.834 4.740 0.003 0.000 0.267 422 N C 0.046 175.693 175.510 0.228 0.000 1.169 422 N CA 0.208 53.373 53.050 0.192 0.000 0.947 422 N CB -0.281 38.269 38.487 0.105 0.000 1.061 422 N HN 0.616 nan 8.380 nan 0.000 0.466 423 H N -1.775 117.245 119.070 -0.083 0.000 2.941 423 H HA 0.448 5.005 4.556 0.002 0.000 0.344 423 H C -0.287 174.922 175.328 -0.198 0.000 1.235 423 H CA -0.848 55.088 56.048 -0.186 0.000 1.149 423 H CB 1.589 31.064 29.762 -0.479 0.000 1.885 423 H HN 0.305 nan 8.280 nan 0.000 0.558 424 E N -0.513 119.556 120.200 -0.219 0.000 2.472 424 E HA -0.011 4.341 4.350 0.003 0.000 0.196 424 E C -0.508 175.874 176.600 -0.364 0.000 1.033 424 E CA 0.251 56.501 56.400 -0.251 0.000 0.886 424 E CB 0.549 30.168 29.700 -0.136 0.000 0.944 424 E HN 0.382 nan 8.360 nan 0.000 0.492 425 D N 0.111 120.153 120.400 -0.596 0.000 2.421 425 D HA 0.142 4.784 4.640 0.003 0.000 0.254 425 D C -2.223 173.712 176.300 -0.609 0.000 1.238 425 D CA -2.452 51.277 54.000 -0.451 0.000 0.919 425 D CB 1.614 42.276 40.800 -0.231 0.000 1.152 425 D HN -0.248 nan 8.370 nan 0.000 0.552 426 P HA -0.093 nan 4.420 nan 0.000 0.225 426 P C 1.249 178.694 177.300 0.242 0.000 1.148 426 P CA 0.758 63.842 63.100 -0.027 0.000 0.779 426 P CB 0.251 32.019 31.700 0.113 0.000 0.780 427 S N -1.349 114.417 115.700 0.110 0.000 2.453 427 S HA -0.067 4.405 4.470 0.003 0.000 0.231 427 S C 0.843 175.520 174.600 0.127 0.000 1.005 427 S CA 0.178 58.452 58.200 0.123 0.000 0.949 427 S CB -0.991 62.257 63.200 0.079 0.000 0.774 427 S HN 0.167 nan 8.310 nan 0.000 0.510 428 E N 3.039 123.313 120.200 0.123 0.000 2.493 428 E HA 0.102 4.453 4.350 0.003 0.000 0.255 428 E C 0.412 177.254 176.600 0.405 0.000 0.999 428 E CA 0.306 56.840 56.400 0.225 0.000 0.934 428 E CB 0.444 30.257 29.700 0.188 0.000 0.940 428 E HN 0.610 nan 8.360 nan 0.000 0.473 429 T N 1.143 115.900 114.554 0.339 0.000 2.902 429 T HA 0.553 4.905 4.350 0.003 0.000 0.280 429 T C -0.115 174.797 174.700 0.353 0.000 0.992 429 T CA -0.904 61.384 62.100 0.313 0.000 1.015 429 T CB 1.194 70.153 68.868 0.152 0.000 1.044 429 T HN 0.453 nan 8.240 nan 0.000 0.520 430 M N 3.896 123.621 119.600 0.209 0.000 2.206 430 M HA 0.406 4.888 4.480 0.003 0.000 0.272 430 M C -0.670 175.618 176.300 -0.019 0.000 1.012 430 M CA -1.193 54.117 55.300 0.017 0.000 0.986 430 M CB 1.516 33.980 32.600 -0.227 0.000 1.740 430 M HN 0.865 nan 8.290 nan 0.000 0.472 431 I N 4.203 124.752 120.570 -0.035 0.000 2.892 431 I HA 0.381 4.553 4.170 0.003 0.000 0.287 431 I C -2.300 173.790 176.117 -0.044 0.000 1.205 431 I CA -1.529 59.751 61.300 -0.033 0.000 1.409 431 I CB -0.387 37.596 38.000 -0.029 0.000 1.367 431 I HN 0.578 nan 8.210 nan 0.000 0.597 432 P HA -0.060 nan 4.420 nan 0.000 0.253 432 P C 0.070 177.369 177.300 -0.001 0.000 1.159 432 P CA 0.600 63.687 63.100 -0.021 0.000 0.779 432 P CB -0.246 31.430 31.700 -0.040 0.000 0.745 433 H N 2.379 121.387 119.070 -0.102 0.000 3.095 433 H HA -0.105 4.452 4.556 0.002 0.000 0.351 433 H C 1.424 176.715 175.328 -0.062 0.000 1.123 433 H CA 1.363 57.353 56.048 -0.096 0.000 1.368 433 H CB 0.834 30.540 29.762 -0.093 0.000 1.293 433 H HN 0.444 nan 8.280 nan 0.000 0.606 434 S N 1.718 117.295 115.700 -0.205 0.000 2.515 434 S HA -0.180 4.292 4.470 0.003 0.000 0.231 434 S C 1.458 176.060 174.600 0.004 0.000 0.987 434 S CA 1.086 59.229 58.200 -0.095 0.000 0.936 434 S CB 0.020 63.139 63.200 -0.134 0.000 0.766 434 S HN 0.732 nan 8.310 nan 0.000 0.528 435 Q N 0.204 120.068 119.800 0.106 0.000 2.217 435 Q HA 0.417 4.758 4.340 0.003 0.000 0.217 435 Q C 1.643 177.701 176.000 0.096 0.000 0.844 435 Q CA -0.172 55.708 55.803 0.128 0.000 0.957 435 Q CB -0.147 28.691 28.738 0.167 0.000 1.127 435 Q HN 0.324 nan 8.270 nan 0.000 0.503 436 R N 1.673 122.230 120.500 0.095 0.000 2.083 436 R HA -0.006 4.335 4.340 0.003 0.000 0.237 436 R C -0.901 175.371 176.300 -0.046 0.000 1.137 436 R CA 1.863 57.972 56.100 0.016 0.000 0.951 436 R CB -1.475 28.829 30.300 0.008 0.000 0.851 436 R HN 0.329 nan 8.270 nan 0.000 0.434 437 P HA -0.119 nan 4.420 nan 0.000 0.217 437 P C 1.042 178.360 177.300 0.030 0.000 1.148 437 P CA 1.402 64.441 63.100 -0.102 0.000 0.828 437 P CB -0.061 31.668 31.700 0.048 0.000 0.783 438 I N -1.043 119.562 120.570 0.057 0.000 2.252 438 I HA -0.252 3.919 4.170 0.003 0.000 0.245 438 I C 2.698 178.824 176.117 0.016 0.000 1.102 438 I CA 1.463 62.797 61.300 0.057 0.000 1.385 438 I CB -0.588 37.435 38.000 0.038 0.000 1.064 438 I HN -0.026 nan 8.210 nan 0.000 0.414 439 Q N 0.593 120.392 119.800 -0.001 0.000 2.061 439 Q HA -0.217 4.124 4.340 0.003 0.000 0.204 439 Q C 2.416 178.418 176.000 0.003 0.000 0.984 439 Q CA 1.661 57.462 55.803 -0.003 0.000 0.846 439 Q CB -0.082 28.660 28.738 0.007 0.000 0.902 439 Q HN 0.524 nan 8.270 nan 0.000 0.421 440 L N -0.216 120.978 121.223 -0.047 0.000 2.017 440 L HA -0.234 4.108 4.340 0.003 0.000 0.208 440 L C 2.598 179.481 176.870 0.021 0.000 1.073 440 L CA 0.943 55.727 54.840 -0.094 0.000 0.745 440 L CB -0.411 41.464 42.059 -0.308 0.000 0.894 440 L HN 0.357 nan 8.230 nan 0.000 0.432 441 M N 0.458 120.133 119.600 0.125 0.000 2.082 441 M HA -0.227 4.254 4.480 0.003 0.000 0.258 441 M C 2.599 179.036 176.300 0.228 0.000 1.069 441 M CA 2.442 57.908 55.300 0.277 0.000 1.102 441 M CB -0.433 32.353 32.600 0.310 0.000 1.336 441 M HN 0.331 nan 8.290 nan 0.000 0.404 442 S N -0.663 115.110 115.700 0.121 0.000 2.423 442 S HA -0.096 4.375 4.470 0.003 0.000 0.231 442 S C 1.950 176.753 174.600 0.338 0.000 1.014 442 S CA 1.264 59.527 58.200 0.106 0.000 0.965 442 S CB -1.062 61.954 63.200 -0.306 0.000 0.785 442 S HN 0.601 nan 8.310 nan 0.000 0.495 443 L N 0.597 121.952 121.223 0.220 0.000 2.072 443 L HA 0.045 4.387 4.340 0.003 0.000 0.205 443 L C 2.615 179.617 176.870 0.220 0.000 1.079 443 L CA 0.927 55.895 54.840 0.214 0.000 0.752 443 L CB -0.604 41.515 42.059 0.100 0.000 0.906 443 L HN 0.284 nan 8.230 nan 0.000 0.436 444 L N -0.422 120.910 121.223 0.182 0.000 2.012 444 L HA -0.178 4.163 4.340 0.003 0.000 0.210 444 L C 2.682 179.833 176.870 0.468 0.000 1.073 444 L CA 1.532 56.489 54.840 0.194 0.000 0.748 444 L CB -1.221 40.945 42.059 0.177 0.000 0.891 444 L HN 0.338 nan 8.230 nan 0.000 0.431 445 G N -0.620 108.464 108.800 0.473 0.000 2.459 445 G HA2 -0.260 3.701 3.960 0.003 0.000 0.217 445 G HA3 -0.260 3.701 3.960 0.003 0.000 0.217 445 G C 1.428 176.573 174.900 0.409 0.000 1.183 445 G CA 0.541 45.940 45.100 0.500 0.000 0.776 445 G HN 0.285 nan 8.290 nan 0.000 0.552 446 E N 0.883 121.324 120.200 0.403 0.000 2.097 446 E HA -0.167 4.185 4.350 0.003 0.000 0.196 446 E C 2.925 179.781 176.600 0.426 0.000 1.000 446 E CA 1.161 57.742 56.400 0.302 0.000 0.804 446 E CB -0.548 29.319 29.700 0.279 0.000 0.740 446 E HN 0.388 nan 8.360 nan 0.000 0.454 447 A N 1.280 124.388 122.820 0.479 0.000 1.972 447 A HA -0.060 4.262 4.320 0.003 0.000 0.219 447 A C 2.383 180.406 177.584 0.730 0.000 1.169 447 A CA 1.754 54.169 52.037 0.630 0.000 0.635 447 A CB -0.414 18.763 19.000 0.296 0.000 0.810 447 A HN 0.262 nan 8.150 nan 0.000 0.446 448 A N -0.326 122.866 122.820 0.620 0.000 2.067 448 A HA 0.054 4.375 4.320 0.003 0.000 0.219 448 A C 1.907 179.762 177.584 0.452 0.000 1.158 448 A CA 1.189 53.496 52.037 0.451 0.000 0.661 448 A CB -0.517 18.631 19.000 0.247 0.000 0.801 448 A HN 0.482 nan 8.150 nan 0.000 0.452 449 L N -0.483 120.943 121.223 0.339 0.000 2.551 449 L HA 0.004 4.346 4.340 0.003 0.000 0.228 449 L C 1.269 178.256 176.870 0.195 0.000 1.153 449 L CA 0.065 55.025 54.840 0.200 0.000 0.851 449 L CB -0.482 41.635 42.059 0.097 0.000 0.959 449 L HN 0.453 nan 8.230 nan 0.000 0.451 450 H N -0.698 118.571 119.070 0.331 0.000 2.748 450 H HA 0.309 4.867 4.556 0.003 0.000 0.288 450 H C 0.404 175.889 175.328 0.262 0.000 1.539 450 H CA -0.151 56.045 56.048 0.247 0.000 1.577 450 H CB 0.433 30.285 29.762 0.150 0.000 1.721 450 H HN 0.038 nan 8.280 nan 0.000 0.869 451 G N 0.234 109.243 108.800 0.349 0.000 2.716 451 G HA2 0.003 3.964 3.960 0.003 0.000 0.251 451 G HA3 0.003 3.964 3.960 0.003 0.000 0.251 451 G C -1.494 173.555 174.900 0.249 0.000 1.224 451 G CA -0.838 44.394 45.100 0.219 0.000 0.891 451 G HN 0.394 nan 8.290 nan 0.000 0.561 452 P HA -0.060 nan 4.420 nan 0.000 0.225 452 P C 1.557 178.977 177.300 0.201 0.000 1.148 452 P CA 1.422 64.607 63.100 0.141 0.000 0.779 452 P CB 0.184 31.899 31.700 0.026 0.000 0.780 453 A N -0.743 122.188 122.820 0.186 0.000 1.970 453 A HA -0.105 4.217 4.320 0.003 0.000 0.216 453 A C 1.973 179.685 177.584 0.214 0.000 1.170 453 A CA 0.805 52.941 52.037 0.166 0.000 0.645 453 A CB -1.521 17.561 19.000 0.137 0.000 0.816 453 A HN 0.153 nan 8.150 nan 0.000 0.447 454 F N -1.262 118.761 119.950 0.121 0.000 2.270 454 F HA -0.013 4.517 4.527 0.005 0.000 0.295 454 F C 1.958 177.827 175.800 0.115 0.000 1.087 454 F CA 1.065 59.120 58.000 0.091 0.000 1.365 454 F CB -0.434 38.613 39.000 0.078 0.000 1.056 454 F HN 0.341 nan 8.300 nan 0.000 0.506 455 Y N 0.298 120.620 120.300 0.037 0.000 2.181 455 Y HA -0.208 4.343 4.550 0.001 0.000 0.288 455 Y C 2.886 178.719 175.900 -0.111 0.000 1.146 455 Y CA 1.962 60.032 58.100 -0.050 0.000 1.164 455 Y CB -0.855 37.656 38.460 0.086 0.000 0.982 455 Y HN 0.177 nan 8.280 nan 0.000 0.515 456 S N 0.008 115.751 115.700 0.072 0.000 2.370 456 S HA -0.260 4.212 4.470 0.003 0.000 0.226 456 S C 2.249 176.762 174.600 -0.145 0.000 1.033 456 S CA 1.727 59.917 58.200 -0.018 0.000 1.011 456 S CB -0.545 62.683 63.200 0.047 0.000 0.852 456 S HN 0.561 nan 8.310 nan 0.000 0.457 457 K N 0.360 120.655 120.400 -0.175 0.000 2.032 457 K HA -0.083 4.239 4.320 0.003 0.000 0.209 457 K C 2.060 178.460 176.600 -0.333 0.000 1.048 457 K CA 1.650 57.808 56.287 -0.215 0.000 0.927 457 K CB -0.314 32.071 32.500 -0.193 0.000 0.712 457 K HN 0.402 nan 8.250 nan 0.000 0.441 458 I N 1.372 121.622 120.570 -0.533 0.000 2.226 458 I HA -0.220 3.952 4.170 0.003 0.000 0.245 458 I C 2.286 178.156 176.117 -0.412 0.000 1.100 458 I CA 1.082 62.068 61.300 -0.522 0.000 1.374 458 I CB -1.315 36.308 38.000 -0.628 0.000 1.057 458 I HN 0.138 nan 8.210 nan 0.000 0.413 459 S N 1.107 116.535 115.700 -0.454 0.000 2.377 459 S HA -0.276 4.195 4.470 0.003 0.000 0.224 459 S C 2.001 176.485 174.600 -0.193 0.000 1.042 459 S CA 1.818 59.828 58.200 -0.316 0.000 1.086 459 S CB -0.324 62.722 63.200 -0.257 0.000 0.995 459 S HN 0.289 nan 8.310 nan 0.000 0.428 460 K N 0.958 121.260 120.400 -0.163 0.000 2.052 460 K HA -0.118 4.203 4.320 0.003 0.000 0.215 460 K C 1.972 178.496 176.600 -0.127 0.000 1.053 460 K CA 1.412 57.632 56.287 -0.112 0.000 0.934 460 K CB -0.605 31.841 32.500 -0.091 0.000 0.717 460 K HN 0.283 nan 8.250 nan 0.000 0.450 461 L N -0.391 120.724 121.223 -0.179 0.000 2.017 461 L HA -0.203 4.138 4.340 0.003 0.000 0.208 461 L C 2.198 178.940 176.870 -0.214 0.000 1.073 461 L CA 0.956 55.668 54.840 -0.213 0.000 0.745 461 L CB -0.525 41.349 42.059 -0.308 0.000 0.894 461 L HN 0.018 nan 8.230 nan 0.000 0.432 462 V N 0.343 120.122 119.914 -0.225 0.000 2.252 462 V HA -0.349 3.772 4.120 0.003 0.000 0.249 462 V C 2.340 178.336 176.094 -0.165 0.000 1.056 462 V CA 2.152 64.317 62.300 -0.225 0.000 1.022 462 V CB -0.426 31.260 31.823 -0.228 0.000 0.641 462 V HN 0.322 nan 8.190 nan 0.000 0.445 463 I N 0.266 120.778 120.570 -0.096 0.000 2.163 463 I HA -0.270 3.901 4.170 0.003 0.000 0.243 463 I C 2.655 178.743 176.117 -0.048 0.000 1.085 463 I CA 1.637 62.917 61.300 -0.034 0.000 1.347 463 I CB -0.594 37.400 38.000 -0.010 0.000 1.044 463 I HN 0.317 nan 8.210 nan 0.000 0.408 464 A N -0.067 122.713 122.820 -0.067 0.000 1.972 464 A HA -0.255 4.067 4.320 0.003 0.000 0.219 464 A C 2.319 179.868 177.584 -0.060 0.000 1.169 464 A CA 1.829 53.834 52.037 -0.053 0.000 0.635 464 A CB -0.567 18.401 19.000 -0.053 0.000 0.810 464 A HN 0.516 nan 8.150 nan 0.000 0.446 465 E N -0.299 119.844 120.200 -0.095 0.000 2.072 465 E HA -0.104 4.247 4.350 0.003 0.000 0.190 465 E C 1.843 178.393 176.600 -0.082 0.000 0.982 465 E CA 0.911 57.252 56.400 -0.098 0.000 0.803 465 E CB -0.127 29.486 29.700 -0.145 0.000 0.755 465 E HN 0.618 nan 8.360 nan 0.000 0.453 466 L N 0.756 121.923 121.223 -0.093 0.000 2.179 466 L HA -0.088 4.254 4.340 0.003 0.000 0.208 466 L C 2.711 179.569 176.870 -0.021 0.000 1.096 466 L CA 0.662 55.463 54.840 -0.065 0.000 0.779 466 L CB -0.332 41.681 42.059 -0.076 0.000 0.922 466 L HN -0.003 nan 8.230 nan 0.000 0.443 467 K N 1.138 121.529 120.400 -0.015 0.000 2.001 467 K HA -0.249 4.072 4.320 0.003 0.000 0.214 467 K C 1.900 178.498 176.600 -0.004 0.000 1.050 467 K CA 2.369 58.656 56.287 -0.001 0.000 0.934 467 K CB -0.092 32.407 32.500 -0.002 0.000 0.718 467 K HN 0.499 nan 8.250 nan 0.000 0.443 468 E N -1.243 118.950 120.200 -0.011 0.000 2.511 468 E HA -0.021 4.330 4.350 0.003 0.000 0.196 468 E C 1.147 177.744 176.600 -0.006 0.000 1.066 468 E CA 0.943 57.339 56.400 -0.006 0.000 0.871 468 E CB 0.050 29.747 29.700 -0.005 0.000 0.863 468 E HN 0.278 nan 8.360 nan 0.000 0.520 469 G N 0.193 108.985 108.800 -0.012 0.000 3.453 469 G HA2 0.337 4.298 3.960 0.003 0.000 0.263 469 G HA3 0.337 4.298 3.960 0.003 0.000 0.263 469 G C 0.771 175.666 174.900 -0.009 0.000 1.060 469 G CA -0.375 44.717 45.100 -0.013 0.000 0.793 469 G HN 0.526 nan 8.290 nan 0.000 0.532 470 G N 0.764 109.563 108.800 -0.002 0.000 2.350 470 G HA2 -0.262 3.700 3.960 0.003 0.000 0.298 470 G HA3 -0.262 3.700 3.960 0.003 0.000 0.298 470 G C 0.057 174.964 174.900 0.012 0.000 1.037 470 G CA 0.338 45.441 45.100 0.005 0.000 1.074 470 G HN 0.368 nan 8.290 nan 0.000 0.511 471 M N -0.015 119.597 119.600 0.020 0.000 2.326 471 M HA 0.250 4.731 4.480 0.003 0.000 0.306 471 M C -0.613 175.736 176.300 0.082 0.000 1.054 471 M CA -0.750 54.574 55.300 0.040 0.000 0.922 471 M CB 1.734 34.348 32.600 0.023 0.000 1.632 471 M HN 0.168 nan 8.290 nan 0.000 0.436 472 D N 2.209 122.666 120.400 0.096 0.000 2.390 472 D HA 0.417 5.058 4.640 0.003 0.000 0.249 472 D C -1.554 174.890 176.300 0.240 0.000 1.144 472 D CA 1.182 55.255 54.000 0.123 0.000 0.880 472 D CB 0.508 41.355 40.800 0.079 0.000 1.182 472 D HN 0.320 nan 8.370 nan 0.000 0.451 473 F N 3.306 123.284 119.950 0.045 0.000 2.651 473 F HA 0.204 4.731 4.527 0.000 0.000 0.327 473 F C -2.108 173.754 175.800 0.103 0.000 1.133 473 F CA -1.005 57.032 58.000 0.063 0.000 1.076 473 F CB 0.804 39.818 39.000 0.025 0.000 1.315 473 F HN 0.237 nan 8.300 nan 0.000 0.499 474 Y N 6.922 126.902 120.300 -0.534 0.000 2.334 474 Y HA 0.678 5.227 4.550 -0.001 0.000 0.336 474 Y C -1.392 174.212 175.900 -0.493 0.000 0.960 474 Y CA -1.085 56.798 58.100 -0.362 0.000 1.164 474 Y CB 1.208 39.501 38.460 -0.278 0.000 1.155 474 Y HN 0.356 nan 8.280 nan 0.000 0.478 475 V N 9.513 129.093 119.914 -0.557 0.000 2.415 475 V HA 0.208 4.330 4.120 0.003 0.000 0.267 475 V C -1.904 173.752 176.094 -0.730 0.000 1.042 475 V CA -1.490 60.570 62.300 -0.400 0.000 1.000 475 V CB -0.029 31.734 31.823 -0.100 0.000 1.015 475 V HN 0.744 nan 8.190 nan 0.000 0.478 476 P HA 0.192 nan 4.420 nan 0.000 0.269 476 P C -0.052 177.128 177.300 -0.200 0.000 1.209 476 P CA -0.240 62.509 63.100 -0.584 0.000 0.776 476 P CB 0.506 31.922 31.700 -0.472 0.000 0.876 477 R N 1.810 122.178 120.500 -0.219 0.000 2.543 477 R HA 0.032 4.373 4.340 0.003 0.000 0.277 477 R C 1.624 177.809 176.300 -0.192 0.000 1.074 477 R CA -0.321 55.722 56.100 -0.095 0.000 1.076 477 R CB 0.175 30.424 30.300 -0.085 0.000 0.993 477 R HN 0.527 nan 8.270 nan 0.000 0.459 478 Q N 2.178 121.760 119.800 -0.364 0.000 2.217 478 Q HA -0.273 4.068 4.340 0.003 0.000 0.209 478 Q C 0.630 176.487 176.000 -0.238 0.000 0.988 478 Q CA 2.080 57.461 55.803 -0.704 0.000 0.878 478 Q CB 0.261 28.671 28.738 -0.547 0.000 0.909 478 Q HN 0.598 nan 8.270 nan 0.000 0.424 479 E N -0.338 119.797 120.200 -0.109 0.000 2.028 479 E HA -0.107 4.244 4.350 0.003 0.000 0.190 479 E C -0.872 175.803 176.600 0.126 0.000 0.984 479 E CA 1.399 57.803 56.400 0.007 0.000 0.800 479 E CB -0.762 28.932 29.700 -0.010 0.000 0.758 479 E HN 0.410 nan 8.360 nan 0.000 0.448 480 P HA -0.135 nan 4.420 nan 0.000 0.218 480 P C 1.316 178.853 177.300 0.395 0.000 1.149 480 P CA 1.053 64.289 63.100 0.227 0.000 0.817 480 P CB 0.091 31.847 31.700 0.092 0.000 0.785 481 M N -1.472 118.305 119.600 0.295 0.000 2.132 481 M HA -0.061 4.420 4.480 0.003 0.000 0.263 481 M C 1.894 178.396 176.300 0.338 0.000 1.065 481 M CA 1.660 57.214 55.300 0.422 0.000 1.122 481 M CB -1.369 31.368 32.600 0.229 0.000 1.365 481 M HN -0.196 nan 8.290 nan 0.000 0.411 482 F N 0.676 120.659 119.950 0.055 0.000 2.095 482 F HA -0.183 4.345 4.527 0.003 0.000 0.298 482 F C 2.223 178.040 175.800 0.029 0.000 1.104 482 F CA 1.856 59.850 58.000 -0.010 0.000 1.232 482 F CB -0.321 38.641 39.000 -0.063 0.000 0.987 482 F HN 0.074 nan 8.300 nan 0.000 0.475 483 R N -0.309 120.401 120.500 0.351 0.000 2.152 483 R HA -0.237 4.105 4.340 0.003 0.000 0.232 483 R C 2.256 178.741 176.300 0.308 0.000 1.117 483 R CA 1.560 57.887 56.100 0.379 0.000 0.981 483 R CB -1.036 29.505 30.300 0.401 0.000 0.870 483 R HN 0.615 nan 8.270 nan 0.000 0.451 484 W N 0.153 121.518 121.300 0.108 0.000 2.481 484 W HA -0.126 4.536 4.660 0.002 0.000 0.293 484 W C 1.496 177.982 176.519 -0.054 0.000 1.201 484 W CA 0.326 57.702 57.345 0.052 0.000 1.328 484 W CB -0.012 29.497 29.460 0.082 0.000 1.112 484 W HN -0.028 nan 8.180 nan 0.000 0.546 485 M N 0.904 120.364 119.600 -0.233 0.000 2.236 485 M HA -0.022 4.459 4.480 0.003 0.000 0.266 485 M C 2.163 178.085 176.300 -0.629 0.000 1.070 485 M CA 1.613 56.649 55.300 -0.440 0.000 1.137 485 M CB -0.622 31.845 32.600 -0.222 0.000 1.378 485 M HN -0.187 nan 8.290 nan 0.000 0.426 486 R N -2.085 117.899 120.500 -0.860 0.000 2.282 486 R HA 0.115 4.456 4.340 0.003 0.000 0.195 486 R C 0.197 175.867 176.300 -1.050 0.000 0.909 486 R CA 0.494 55.891 56.100 -1.171 0.000 1.039 486 R CB 0.498 29.677 30.300 -1.869 0.000 1.015 486 R HN 0.325 nan 8.270 nan 0.000 0.513 487 F N -1.552 118.222 119.950 -0.294 0.000 2.856 487 F HA 0.293 4.821 4.527 0.002 0.000 0.338 487 F C 0.775 176.484 175.800 -0.152 0.000 1.100 487 F CA -0.414 57.483 58.000 -0.171 0.000 1.150 487 F CB 0.670 39.620 39.000 -0.083 0.000 1.101 487 F HN -0.266 nan 8.300 nan 0.000 0.548 488 S N 0.835 116.446 115.700 -0.148 0.000 3.445 488 S HA -0.273 4.198 4.470 0.003 0.000 0.319 488 S C 0.027 174.772 174.600 0.241 0.000 1.209 488 S CA 1.137 59.202 58.200 -0.224 0.000 0.934 488 S CB -1.492 61.547 63.200 -0.267 0.000 0.999 488 S HN 0.637 nan 8.310 nan 0.000 0.582 489 D N 0.284 120.873 120.400 0.315 0.000 2.308 489 D HA 0.396 5.038 4.640 0.003 0.000 0.251 489 D C 0.679 177.217 176.300 0.397 0.000 1.127 489 D CA -0.223 53.967 54.000 0.317 0.000 0.876 489 D CB 0.382 41.334 40.800 0.255 0.000 1.176 489 D HN 0.283 nan 8.370 nan 0.000 0.446 490 L N 3.159 124.549 121.223 0.277 0.000 3.122 490 L HA 0.075 4.416 4.340 0.003 0.000 0.274 490 L C 1.787 178.771 176.870 0.189 0.000 1.222 490 L CA -0.035 54.920 54.840 0.193 0.000 1.028 490 L CB 0.053 42.093 42.059 -0.031 0.000 1.386 490 L HN 0.527 nan 8.230 nan 0.000 0.578 491 S N -1.275 114.529 115.700 0.173 0.000 2.402 491 S HA -0.135 4.336 4.470 0.003 0.000 0.229 491 S C 1.540 176.222 174.600 0.136 0.000 1.021 491 S CA 1.452 59.730 58.200 0.129 0.000 0.974 491 S CB -0.509 62.749 63.200 0.096 0.000 0.800 491 S HN 0.484 nan 8.310 nan 0.000 0.484 492 T N -2.718 111.939 114.554 0.171 0.000 3.214 492 T HA 0.237 4.589 4.350 0.003 0.000 0.264 492 T C -0.052 174.744 174.700 0.160 0.000 1.012 492 T CA -0.782 61.399 62.100 0.136 0.000 0.901 492 T CB -0.444 68.488 68.868 0.107 0.000 1.070 492 T HN 0.524 nan 8.240 nan 0.000 0.561 493 W N 2.420 123.733 121.300 0.023 0.000 2.261 493 W HA 0.400 5.064 4.660 0.006 0.000 0.323 493 W C -0.645 175.877 176.519 0.005 0.000 1.243 493 W CA -0.416 56.929 57.345 0.000 0.000 1.210 493 W CB 0.622 30.042 29.460 -0.066 0.000 1.149 493 W HN 0.263 nan 8.180 nan 0.000 0.562 494 E N 2.428 122.359 120.200 -0.449 0.000 2.204 494 E HA 0.460 4.812 4.350 0.003 0.000 0.276 494 E C 0.569 177.098 176.600 -0.118 0.000 0.974 494 E CA 0.283 56.555 56.400 -0.214 0.000 0.815 494 E CB 1.486 31.071 29.700 -0.192 0.000 1.119 494 E HN 0.728 nan 8.360 nan 0.000 0.393 495 G N 3.446 112.241 108.800 -0.008 0.000 2.539 495 G HA2 -0.292 3.669 3.960 0.003 0.000 0.256 495 G HA3 -0.292 3.669 3.960 0.003 0.000 0.256 495 G C -0.356 174.639 174.900 0.158 0.000 1.233 495 G CA -0.088 45.031 45.100 0.033 0.000 0.936 495 G HN 0.651 nan 8.290 nan 0.000 0.571 496 D N 0.995 121.485 120.400 0.151 0.000 2.363 496 D HA 0.277 4.918 4.640 0.003 0.000 0.263 496 D C 1.906 178.300 176.300 0.157 0.000 1.258 496 D CA -0.047 54.025 54.000 0.121 0.000 0.907 496 D CB 0.475 41.315 40.800 0.067 0.000 1.107 496 D HN 0.460 nan 8.370 nan 0.000 0.495 497 R N 2.814 123.321 120.500 0.012 0.000 2.115 497 R HA -0.066 4.276 4.340 0.003 0.000 0.230 497 R C 1.386 177.412 176.300 -0.457 0.000 1.111 497 R CA 0.674 56.594 56.100 -0.300 0.000 0.976 497 R CB 0.015 30.176 30.300 -0.232 0.000 0.870 497 R HN 0.477 nan 8.270 nan 0.000 0.445 498 N N 0.721 119.283 118.700 -0.230 0.000 2.519 498 N HA -0.146 4.596 4.740 0.003 0.000 0.186 498 N C 1.302 176.689 175.510 -0.205 0.000 1.062 498 N CA 0.843 53.770 53.050 -0.205 0.000 0.910 498 N CB 0.028 38.457 38.487 -0.096 0.000 0.958 498 N HN 0.130 nan 8.380 nan 0.000 0.445 499 L N 0.950 122.073 121.223 -0.167 0.000 2.418 499 L HA 0.187 4.529 4.340 0.003 0.000 0.218 499 L C 0.770 177.559 176.870 -0.135 0.000 1.125 499 L CA 0.051 54.865 54.840 -0.043 0.000 0.835 499 L CB -0.660 41.475 42.059 0.128 0.000 0.953 499 L HN -0.045 nan 8.230 nan 0.000 0.454 500 A N 1.224 123.650 122.820 -0.656 0.000 2.540 500 A HA 0.325 4.647 4.320 0.003 0.000 0.239 500 A C -2.144 175.212 177.584 -0.379 0.000 1.061 500 A CA -0.726 50.675 52.037 -1.060 0.000 0.758 500 A CB -0.751 16.747 19.000 -2.503 0.000 0.991 500 A HN 0.093 nan 8.150 nan 0.000 0.502 501 P HA 0.210 nan 4.420 nan 0.000 0.287 501 P C -0.436 176.999 177.300 0.225 0.000 1.307 501 P CA -0.116 63.056 63.100 0.120 0.000 0.777 501 P CB 0.760 32.523 31.700 0.104 0.000 0.883 502 S N 3.255 119.002 115.700 0.077 0.000 2.603 502 S HA 0.445 4.916 4.470 0.003 0.000 0.268 502 S C -0.184 174.344 174.600 -0.121 0.000 1.317 502 S CA -0.163 58.106 58.200 0.115 0.000 1.012 502 S CB 0.119 63.373 63.200 0.089 0.000 0.926 502 S HN 0.293 nan 8.310 nan 0.000 0.539 503 F N 1.079 121.074 119.950 0.076 0.000 2.460 503 F HA 0.336 4.864 4.527 0.002 0.000 0.341 503 F C 0.128 175.953 175.800 0.042 0.000 1.130 503 F CA -1.003 57.029 58.000 0.053 0.000 0.962 503 F CB 1.106 40.122 39.000 0.026 0.000 1.171 503 F HN 0.389 nan 8.300 nan 0.000 0.436 504 V N 2.073 122.088 119.914 0.169 0.000 3.098 504 V HA -0.165 3.956 4.120 0.003 0.000 0.298 504 V C 1.071 177.256 176.094 0.151 0.000 1.200 504 V CA -0.208 62.172 62.300 0.133 0.000 1.321 504 V CB -0.036 31.852 31.823 0.108 0.000 0.947 504 V HN 0.796 nan 8.190 nan 0.000 0.513 505 N N 1.942 120.710 118.700 0.114 0.000 2.038 505 N HA -0.117 4.624 4.740 0.003 0.000 0.192 505 N C 0.848 176.420 175.510 0.104 0.000 1.080 505 N CA 1.653 54.764 53.050 0.103 0.000 0.867 505 N CB -0.255 38.289 38.487 0.094 0.000 1.055 505 N HN 1.000 nan 8.380 nan 0.000 0.430 506 E N 0.930 121.201 120.200 0.118 0.000 2.283 506 E HA 0.199 4.550 4.350 0.003 0.000 0.278 506 E C -1.022 175.610 176.600 0.054 0.000 1.027 506 E CA -0.257 56.222 56.400 0.131 0.000 0.843 506 E CB 1.008 30.860 29.700 0.252 0.000 1.062 506 E HN 0.254 nan 8.360 nan 0.000 0.401 507 D N 0.000 120.351 120.400 -0.081 0.000 6.856 507 D HA 0.000 4.642 4.640 0.003 0.000 0.175 507 D CA 0.000 53.922 54.000 -0.130 0.000 0.868 507 D CB 0.000 40.721 40.800 -0.131 0.000 0.688 507 D HN 0.000 nan 8.370 nan 0.000 0.683