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 2qpe_1_A DATA FIRST_RESID 6 DATA SEQUENCE SEISRVYEAY PEKKATLYFL VLGFLALIVG SLFGPFQALN YGNVDAYPLL DATA SEQUENCE KRLLPFVQSY YQGLTLHGVL NAIVFTQLFA QAIMVYLPAR ELNMRPNMGL DATA SEQUENCE MWLSWWMAFI GLVVAALPLL ANEATVLYTF YPPLKGHWAF YLGASVFVLS DATA SEQUENCE TWVSIYIVLD LWRRWKAANP GKVTPLVTYM AVVFWLMWFL ASLGLVLEAV DATA SEQUENCE LFLLPWSFGL VEGVDPLVAR TLFWWTGHPI VYFWLLPAYA IIYTILPKQA DATA SEQUENCE GGRLVSDPMA RLAFLLFLLL STPVGFHHQF ADPGIDPTWK MIHSVLTLFV DATA SEQUENCE AVPSLMTAFT VAASLEFAGR LRGGRGLFGW IRALPWDNPA FVAPVLGLLG DATA SEQUENCE FIPGGAGGIV NASFTLDYVV HNTAWVPGHF HLQVASLVTL TAMGSLYWLL DATA SEQUENCE PNLTGKPISD AQRRLGLAVV WLWFLGMMIM AVGLHWAGLL NVPRRAYIAQ DATA SEQUENCE VPDAYPHAAV PMVFNVLAGI VLLVALLLFI YGLFSVLLSR ERKPELAEAP DATA SEQUENCE LPFAEVISGP EDRRLVLAMD RIGFWFAVAA ILVVLAYGPT LVQLFGHLNP DATA SEQUENCE VPGWRLW 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 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.609 174.600 0.015 0.000 1.055 6 S CA 0.000 58.205 58.200 0.008 0.000 1.107 6 S CB 0.000 63.204 63.200 0.006 0.000 0.593 7 E N 0.656 120.869 120.200 0.022 0.000 2.238 7 E HA 0.543 5.018 4.350 0.208 0.000 0.267 7 E C -0.017 176.593 176.600 0.017 0.000 0.887 7 E CA -0.526 55.895 56.400 0.035 0.000 0.769 7 E CB 1.365 31.104 29.700 0.064 0.000 1.187 7 E HN 0.177 nan 8.360 nan 0.000 0.416 8 I N 1.316 121.897 120.570 0.018 0.000 4.139 8 I HA 0.066 4.361 4.170 0.208 0.000 0.335 8 I C 0.540 176.657 176.117 0.000 0.000 1.327 8 I CA 0.634 61.937 61.300 0.006 0.000 1.112 8 I CB 0.619 38.622 38.000 0.006 0.000 1.058 8 I HN 0.318 nan 8.210 nan 0.000 0.396 9 S N 0.843 116.550 115.700 0.011 0.000 2.222 9 S HA 0.281 4.876 4.470 0.208 0.000 0.173 9 S C 1.274 175.832 174.600 -0.070 0.000 1.466 9 S CA -0.557 57.627 58.200 -0.026 0.000 1.184 9 S CB -0.064 63.138 63.200 0.004 0.000 1.168 9 S HN 0.197 nan 8.310 nan 0.000 0.475 10 R N 0.917 121.379 120.500 -0.063 0.000 2.211 10 R HA -0.105 4.360 4.340 0.208 0.000 0.240 10 R C 1.918 178.130 176.300 -0.146 0.000 1.144 10 R CA 1.446 57.514 56.100 -0.053 0.000 0.992 10 R CB -0.804 29.473 30.300 -0.040 0.000 0.869 10 R HN 0.554 nan 8.270 nan 0.000 0.462 11 V N -0.052 119.676 119.914 -0.309 0.000 2.407 11 V HA -0.365 3.880 4.120 0.208 0.000 0.239 11 V C 1.063 176.944 176.094 -0.355 0.000 1.082 11 V CA 2.236 64.233 62.300 -0.505 0.000 1.094 11 V CB -0.898 30.215 31.823 -1.184 0.000 0.923 11 V HN 0.379 nan 8.190 nan 0.000 0.471 12 Y N 0.891 121.211 120.300 0.032 0.000 2.873 12 Y HA 0.430 5.104 4.550 0.206 0.000 0.375 12 Y C 1.306 177.231 175.900 0.042 0.000 1.070 12 Y CA 0.126 58.256 58.100 0.051 0.000 1.644 12 Y CB -0.474 38.005 38.460 0.033 0.000 1.495 12 Y HN 0.476 nan 8.280 nan 0.000 0.494 13 E N -1.348 118.908 120.200 0.093 0.000 2.712 13 E HA 0.323 4.798 4.350 0.208 0.000 0.221 13 E C 1.349 177.958 176.600 0.015 0.000 0.943 13 E CA 0.361 56.799 56.400 0.064 0.000 1.259 13 E CB 0.653 30.374 29.700 0.035 0.000 1.167 13 E HN 0.367 nan 8.360 nan 0.000 0.569 14 A N 0.255 123.061 122.820 -0.024 0.000 2.121 14 A HA 0.245 4.690 4.320 0.208 0.000 0.215 14 A C -0.195 177.305 177.584 -0.140 0.000 1.861 14 A CA 0.290 52.241 52.037 -0.144 0.000 0.850 14 A CB 0.182 19.051 19.000 -0.219 0.000 1.346 14 A HN 0.136 nan 8.150 nan 0.000 0.597 15 Y N 1.007 121.325 120.300 0.030 0.000 2.960 15 Y HA 0.344 4.915 4.550 0.035 0.000 0.343 15 Y C -1.959 174.019 175.900 0.131 0.000 1.106 15 Y CA -3.056 55.094 58.100 0.082 0.000 1.221 15 Y CB 0.752 39.267 38.460 0.091 0.000 1.232 15 Y HN 0.341 nan 8.280 nan 0.000 0.577 16 P HA -0.114 nan 4.420 nan 0.000 0.231 16 P C 0.933 178.452 177.300 0.365 0.000 1.168 16 P CA 1.003 64.371 63.100 0.446 0.000 0.779 16 P CB 0.445 32.358 31.700 0.354 0.000 0.844 17 E N 1.568 121.931 120.200 0.272 0.000 2.268 17 E HA -0.157 4.318 4.350 0.208 0.000 0.195 17 E C 1.414 178.038 176.600 0.041 0.000 0.995 17 E CA 0.803 57.294 56.400 0.153 0.000 0.836 17 E CB -0.616 29.193 29.700 0.182 0.000 0.763 17 E HN 0.275 nan 8.360 nan 0.000 0.491 18 K N 1.184 121.633 120.400 0.080 0.000 2.152 18 K HA -0.144 4.301 4.320 0.208 0.000 0.206 18 K C 2.203 178.801 176.600 -0.003 0.000 1.048 18 K CA 1.217 57.447 56.287 -0.095 0.000 0.933 18 K CB -0.183 32.339 32.500 0.036 0.000 0.721 18 K HN 0.115 nan 8.250 nan 0.000 0.447 19 K N 0.935 121.433 120.400 0.163 0.000 2.001 19 K HA -0.120 4.325 4.320 0.208 0.000 0.208 19 K C 2.248 178.672 176.600 -0.294 0.000 1.048 19 K CA 1.256 57.443 56.287 -0.167 0.000 0.932 19 K CB -0.091 32.167 32.500 -0.403 0.000 0.715 19 K HN 0.121 nan 8.250 nan 0.000 0.437 20 A N 0.600 123.201 122.820 -0.364 0.000 1.873 20 A HA -0.124 4.321 4.320 0.208 0.000 0.215 20 A C 2.204 179.660 177.584 -0.214 0.000 1.186 20 A CA 2.156 53.738 52.037 -0.758 0.000 0.616 20 A CB -1.046 17.486 19.000 -0.780 0.000 0.823 20 A HN 0.419 nan 8.150 nan 0.000 0.442 21 T N 0.437 114.882 114.554 -0.181 0.000 2.595 21 T HA -0.203 4.272 4.350 0.208 0.000 0.264 21 T C 1.856 176.521 174.700 -0.057 0.000 1.058 21 T CA 1.622 63.629 62.100 -0.156 0.000 1.166 21 T CB -0.660 67.970 68.868 -0.397 0.000 0.863 21 T HN 0.330 nan 8.240 nan 0.000 0.415 22 L N 0.115 121.262 121.223 -0.127 0.000 2.030 22 L HA -0.234 4.231 4.340 0.208 0.000 0.222 22 L C 2.140 179.103 176.870 0.154 0.000 1.082 22 L CA 1.866 56.690 54.840 -0.027 0.000 0.785 22 L CB -0.863 41.159 42.059 -0.062 0.000 0.895 22 L HN 0.426 nan 8.230 nan 0.000 0.439 23 Y N -1.965 118.274 120.300 -0.101 0.000 2.114 23 Y HA -0.336 4.342 4.550 0.212 0.000 0.284 23 Y C 2.408 178.459 175.900 0.251 0.000 1.143 23 Y CA 1.247 59.269 58.100 -0.132 0.000 1.135 23 Y CB -0.315 37.715 38.460 -0.717 0.000 0.980 23 Y HN 0.174 nan 8.280 nan 0.000 0.499 24 F N 0.020 120.188 119.950 0.363 0.000 2.063 24 F HA -0.368 4.285 4.527 0.208 0.000 0.298 24 F C 2.362 178.293 175.800 0.218 0.000 1.109 24 F CA 1.633 59.850 58.000 0.361 0.000 1.212 24 F CB -0.614 38.480 39.000 0.157 0.000 0.973 24 F HN 0.019 nan 8.300 nan 0.000 0.480 25 L N -0.998 120.468 121.223 0.404 0.000 2.141 25 L HA -0.190 4.275 4.340 0.208 0.000 0.209 25 L C 2.269 179.406 176.870 0.444 0.000 1.094 25 L CA 0.529 55.586 54.840 0.361 0.000 0.763 25 L CB -0.337 41.873 42.059 0.252 0.000 0.908 25 L HN -0.014 nan 8.230 nan 0.000 0.437 26 V N -0.306 119.794 119.914 0.310 0.000 2.358 26 V HA -0.300 3.944 4.120 0.208 0.000 0.246 26 V C 2.348 178.585 176.094 0.237 0.000 1.047 26 V CA 1.333 63.772 62.300 0.233 0.000 1.035 26 V CB -0.175 31.715 31.823 0.111 0.000 0.658 26 V HN 0.277 nan 8.190 nan 0.000 0.452 27 L N 0.841 122.186 121.223 0.204 0.000 1.951 27 L HA -0.149 4.316 4.340 0.208 0.000 0.222 27 L C 2.470 179.454 176.870 0.190 0.000 1.078 27 L CA 2.646 57.568 54.840 0.136 0.000 0.778 27 L CB -1.603 40.465 42.059 0.016 0.000 0.893 27 L HN 0.344 nan 8.230 nan 0.000 0.436 28 G N -1.030 107.902 108.800 0.219 0.000 2.808 28 G HA2 -0.416 3.669 3.960 0.208 0.000 0.225 28 G HA3 -0.416 3.669 3.960 0.208 0.000 0.225 28 G C 1.562 176.612 174.900 0.250 0.000 1.210 28 G CA 1.603 46.854 45.100 0.252 0.000 0.777 28 G HN 0.436 nan 8.290 nan 0.000 0.640 29 F N 0.454 120.578 119.950 0.289 0.000 2.269 29 F HA 0.092 4.743 4.527 0.206 0.000 0.301 29 F C 2.661 178.500 175.800 0.064 0.000 1.082 29 F CA 0.660 58.742 58.000 0.136 0.000 1.360 29 F CB -0.104 38.954 39.000 0.097 0.000 1.041 29 F HN 0.059 nan 8.300 nan 0.000 0.512 30 L N -1.025 120.342 121.223 0.240 0.000 2.095 30 L HA -0.121 4.344 4.340 0.208 0.000 0.204 30 L C 2.724 179.676 176.870 0.136 0.000 1.080 30 L CA 0.862 55.810 54.840 0.181 0.000 0.759 30 L CB -0.966 41.198 42.059 0.175 0.000 0.914 30 L HN 0.105 nan 8.230 nan 0.000 0.439 31 A N 0.530 123.429 122.820 0.131 0.000 1.852 31 A HA -0.322 4.123 4.320 0.208 0.000 0.217 31 A C 2.241 179.833 177.584 0.015 0.000 1.215 31 A CA 2.352 54.451 52.037 0.104 0.000 0.641 31 A CB -1.161 17.932 19.000 0.155 0.000 0.838 31 A HN 0.341 nan 8.150 nan 0.000 0.450 32 L N -0.277 120.876 121.223 -0.116 0.000 2.064 32 L HA -0.219 4.246 4.340 0.208 0.000 0.216 32 L C 2.275 179.066 176.870 -0.132 0.000 1.077 32 L CA 2.221 56.843 54.840 -0.364 0.000 0.766 32 L CB -0.291 41.152 42.059 -1.026 0.000 0.890 32 L HN 0.501 nan 8.230 nan 0.000 0.435 33 I N -2.020 118.570 120.570 0.033 0.000 2.546 33 I HA -0.210 4.085 4.170 0.208 0.000 0.255 33 I C 2.042 178.210 176.117 0.086 0.000 1.163 33 I CA 0.567 61.943 61.300 0.125 0.000 1.457 33 I CB -0.138 37.998 38.000 0.227 0.000 1.092 33 I HN 0.120 nan 8.210 nan 0.000 0.434 34 V N 0.571 120.527 119.914 0.070 0.000 2.300 34 V HA -0.054 4.191 4.120 0.208 0.000 0.241 34 V C 2.622 178.750 176.094 0.057 0.000 1.034 34 V CA 1.895 64.230 62.300 0.058 0.000 1.021 34 V CB -1.304 30.577 31.823 0.097 0.000 0.662 34 V HN 0.477 nan 8.190 nan 0.000 0.458 35 G N 0.208 109.065 108.800 0.096 0.000 2.476 35 G HA2 -0.275 3.810 3.960 0.208 0.000 0.218 35 G HA3 -0.275 3.810 3.960 0.208 0.000 0.218 35 G C 1.766 176.770 174.900 0.174 0.000 1.164 35 G CA 1.463 46.654 45.100 0.151 0.000 0.768 35 G HN 0.525 nan 8.290 nan 0.000 0.560 36 S N 0.509 116.232 115.700 0.038 0.000 2.447 36 S HA 0.052 4.647 4.470 0.208 0.000 0.233 36 S C 2.225 176.924 174.600 0.166 0.000 1.006 36 S CA 0.453 58.718 58.200 0.109 0.000 0.957 36 S CB -0.146 63.099 63.200 0.076 0.000 0.773 36 S HN 0.319 nan 8.310 nan 0.000 0.507 37 L N 0.347 121.597 121.223 0.045 0.000 2.021 37 L HA -0.198 4.267 4.340 0.208 0.000 0.215 37 L C 2.105 179.005 176.870 0.050 0.000 1.074 37 L CA 1.693 56.505 54.840 -0.047 0.000 0.760 37 L CB -0.694 41.202 42.059 -0.272 0.000 0.889 37 L HN 0.301 nan 8.230 nan 0.000 0.433 38 F N -0.408 119.673 119.950 0.218 0.000 2.126 38 F HA -0.210 4.441 4.527 0.208 0.000 0.299 38 F C 2.576 178.470 175.800 0.156 0.000 1.096 38 F CA 1.063 59.167 58.000 0.174 0.000 1.255 38 F CB -1.198 37.841 39.000 0.066 0.000 0.997 38 F HN 0.106 nan 8.300 nan 0.000 0.479 39 G N 0.749 109.757 108.800 0.346 0.000 2.513 39 G HA2 -0.261 3.824 3.960 0.208 0.000 0.219 39 G HA3 -0.261 3.824 3.960 0.208 0.000 0.219 39 G C -0.832 174.058 174.900 -0.016 0.000 1.160 39 G CA 0.996 46.146 45.100 0.083 0.000 0.767 39 G HN 0.259 nan 8.290 nan 0.000 0.571 40 P HA -0.020 nan 4.420 nan 0.000 0.220 40 P C 1.240 178.363 177.300 -0.294 0.000 1.148 40 P CA 0.680 63.632 63.100 -0.246 0.000 0.803 40 P CB -0.096 31.371 31.700 -0.389 0.000 0.782 41 F N 0.154 120.044 119.950 -0.100 0.000 2.039 41 F HA -0.150 4.501 4.527 0.208 0.000 0.294 41 F C 2.554 178.412 175.800 0.097 0.000 1.130 41 F CA 1.310 59.227 58.000 -0.138 0.000 1.189 41 F CB -1.551 37.126 39.000 -0.539 0.000 0.983 41 F HN -0.151 nan 8.300 nan 0.000 0.471 42 Q N 0.376 120.322 119.800 0.243 0.000 2.268 42 Q HA -0.291 4.174 4.340 0.208 0.000 0.213 42 Q C 2.324 178.455 176.000 0.218 0.000 0.995 42 Q CA 1.565 57.484 55.803 0.193 0.000 0.901 42 Q CB -0.717 27.964 28.738 -0.096 0.000 0.921 42 Q HN 0.526 nan 8.270 nan 0.000 0.421 43 A N 0.960 123.826 122.820 0.077 0.000 1.872 43 A HA -0.071 4.374 4.320 0.208 0.000 0.214 43 A C 2.065 179.713 177.584 0.107 0.000 1.187 43 A CA 0.837 52.893 52.037 0.030 0.000 0.614 43 A CB -0.465 18.485 19.000 -0.083 0.000 0.826 43 A HN 0.283 nan 8.150 nan 0.000 0.442 44 L N -0.037 121.242 121.223 0.093 0.000 2.275 44 L HA -0.141 4.324 4.340 0.208 0.000 0.215 44 L C 2.392 179.371 176.870 0.182 0.000 1.119 44 L CA 1.145 56.046 54.840 0.101 0.000 0.790 44 L CB -0.760 41.338 42.059 0.065 0.000 0.919 44 L HN 0.484 nan 8.230 nan 0.000 0.443 45 N N 0.827 119.704 118.700 0.296 0.000 2.006 45 N HA -0.265 4.600 4.740 0.208 0.000 0.196 45 N C 1.812 177.394 175.510 0.120 0.000 1.057 45 N CA 1.889 55.120 53.050 0.301 0.000 0.853 45 N CB -0.456 38.330 38.487 0.498 0.000 1.051 45 N HN 0.170 nan 8.380 nan 0.000 0.423 46 Y N 0.212 120.568 120.300 0.094 0.000 2.446 46 Y HA -0.012 4.663 4.550 0.209 0.000 0.287 46 Y C 2.317 178.226 175.900 0.014 0.000 1.159 46 Y CA 1.144 59.257 58.100 0.021 0.000 1.297 46 Y CB -0.867 37.584 38.460 -0.016 0.000 0.974 46 Y HN 0.246 nan 8.280 nan 0.000 0.557 47 G N -0.869 108.009 108.800 0.129 0.000 2.572 47 G HA2 -0.193 3.892 3.960 0.208 0.000 0.216 47 G HA3 -0.193 3.892 3.960 0.208 0.000 0.216 47 G C 0.625 175.548 174.900 0.038 0.000 1.133 47 G CA 0.561 45.703 45.100 0.071 0.000 0.791 47 G HN 0.525 nan 8.290 nan 0.000 0.538 48 N N -1.173 117.545 118.700 0.031 0.000 2.814 48 N HA -0.167 4.697 4.740 0.208 0.000 0.247 48 N C -1.075 174.461 175.510 0.043 0.000 1.089 48 N CA 0.399 53.458 53.050 0.016 0.000 0.682 48 N CB -0.969 37.517 38.487 -0.002 0.000 0.970 48 N HN 0.097 nan 8.380 nan 0.000 0.554 49 V N 1.263 121.231 119.914 0.090 0.000 2.567 49 V HA 0.184 4.429 4.120 0.208 0.000 0.298 49 V C -0.226 175.985 176.094 0.194 0.000 1.047 49 V CA -0.797 61.566 62.300 0.105 0.000 0.880 49 V CB 1.745 33.615 31.823 0.077 0.000 1.009 49 V HN 0.117 nan 8.190 nan 0.000 0.429 50 D N 4.180 124.698 120.400 0.197 0.000 2.435 50 D HA 0.337 5.102 4.640 0.208 0.000 0.230 50 D C 0.875 177.387 176.300 0.354 0.000 1.215 50 D CA 0.075 54.269 54.000 0.323 0.000 0.947 50 D CB 1.632 42.575 40.800 0.238 0.000 1.048 50 D HN 0.691 nan 8.370 nan 0.000 0.512 51 A N 3.626 126.719 122.820 0.455 0.000 2.302 51 A HA -0.033 4.412 4.320 0.208 0.000 0.219 51 A C 0.846 178.612 177.584 0.304 0.000 1.243 51 A CA 0.093 52.358 52.037 0.380 0.000 0.856 51 A CB -0.281 18.982 19.000 0.438 0.000 0.893 51 A HN 0.549 nan 8.150 nan 0.000 0.491 52 Y N -0.247 120.161 120.300 0.180 0.000 2.490 52 Y HA 0.061 4.736 4.550 0.208 0.000 0.285 52 Y C -0.611 175.304 175.900 0.025 0.000 1.117 52 Y CA 0.126 58.251 58.100 0.041 0.000 1.262 52 Y CB -1.100 37.394 38.460 0.057 0.000 1.043 52 Y HN 0.287 nan 8.280 nan 0.000 0.553 53 P HA -0.253 nan 4.420 nan 0.000 0.213 53 P C 1.913 179.249 177.300 0.059 0.000 1.176 53 P CA 1.447 64.615 63.100 0.112 0.000 0.919 53 P CB 0.073 31.841 31.700 0.113 0.000 0.791 54 L N -0.988 120.278 121.223 0.072 0.000 1.956 54 L HA -0.193 4.272 4.340 0.208 0.000 0.216 54 L C 2.482 179.324 176.870 -0.046 0.000 1.073 54 L CA 1.968 56.841 54.840 0.056 0.000 0.762 54 L CB -1.677 40.471 42.059 0.147 0.000 0.889 54 L HN -0.004 nan 8.230 nan 0.000 0.433 55 L N -0.357 120.728 121.223 -0.230 0.000 1.990 55 L HA -0.272 4.192 4.340 0.208 0.000 0.213 55 L C 2.731 179.412 176.870 -0.315 0.000 1.072 55 L CA 1.692 56.174 54.840 -0.597 0.000 0.755 55 L CB -0.417 40.766 42.059 -1.460 0.000 0.889 55 L HN 0.171 nan 8.230 nan 0.000 0.432 56 K N 0.085 120.365 120.400 -0.200 0.000 2.059 56 K HA -0.272 4.173 4.320 0.208 0.000 0.212 56 K C 2.201 178.766 176.600 -0.058 0.000 1.050 56 K CA 2.099 58.326 56.287 -0.101 0.000 0.927 56 K CB -0.465 32.030 32.500 -0.008 0.000 0.714 56 K HN 0.452 nan 8.250 nan 0.000 0.447 57 R N 0.244 120.726 120.500 -0.030 0.000 2.107 57 R HA -0.150 4.315 4.340 0.208 0.000 0.223 57 R C 2.048 178.351 176.300 0.005 0.000 1.138 57 R CA 1.350 57.452 56.100 0.002 0.000 0.900 57 R CB -0.672 29.637 30.300 0.015 0.000 0.814 57 R HN -0.028 nan 8.270 nan 0.000 0.437 58 L N 0.385 121.607 121.223 -0.001 0.000 2.434 58 L HA -0.272 4.193 4.340 0.208 0.000 0.248 58 L C 0.503 177.390 176.870 0.028 0.000 1.165 58 L CA 2.044 56.887 54.840 0.004 0.000 0.801 58 L CB -1.363 40.685 42.059 -0.017 0.000 1.016 58 L HN 0.486 nan 8.230 nan 0.000 0.412 59 L N -2.122 119.111 121.223 0.017 0.000 2.268 59 L HA 0.358 4.823 4.340 0.208 0.000 0.289 59 L C -1.900 175.040 176.870 0.116 0.000 1.064 59 L CA -1.235 53.701 54.840 0.160 0.000 0.824 59 L CB -0.171 42.099 42.059 0.352 0.000 1.202 59 L HN 0.112 nan 8.230 nan 0.000 0.433 60 P HA -0.054 nan 4.420 nan 0.000 0.249 60 P C 0.822 178.195 177.300 0.122 0.000 1.229 60 P CA 0.470 63.635 63.100 0.109 0.000 0.788 60 P CB -0.016 31.752 31.700 0.112 0.000 1.072 61 F N -1.575 118.394 119.950 0.033 0.000 2.754 61 F HA 0.255 4.907 4.527 0.208 0.000 0.297 61 F C 0.479 176.314 175.800 0.059 0.000 1.122 61 F CA -0.878 57.148 58.000 0.044 0.000 1.400 61 F CB -1.279 37.747 39.000 0.042 0.000 1.117 61 F HN -0.406 nan 8.300 nan 0.000 0.587 62 V N 3.168 122.563 119.914 -0.866 0.000 2.479 62 V HA 0.020 4.265 4.120 0.208 0.000 0.281 62 V C 0.949 176.917 176.094 -0.210 0.000 1.031 62 V CA 0.035 61.974 62.300 -0.602 0.000 1.038 62 V CB 1.059 32.579 31.823 -0.506 0.000 0.981 62 V HN 0.288 nan 8.190 nan 0.000 0.478 63 Q N 2.747 122.489 119.800 -0.097 0.000 2.107 63 Q HA 0.100 4.565 4.340 0.208 0.000 0.195 63 Q C 0.841 176.862 176.000 0.034 0.000 0.964 63 Q CA 0.884 56.694 55.803 0.010 0.000 0.833 63 Q CB 0.190 28.979 28.738 0.083 0.000 0.910 63 Q HN 0.878 nan 8.270 nan 0.000 0.465 64 S N -1.590 114.116 115.700 0.011 0.000 2.570 64 S HA 0.333 4.928 4.470 0.208 0.000 0.286 64 S C 0.381 174.874 174.600 -0.179 0.000 1.099 64 S CA -0.805 57.400 58.200 0.008 0.000 0.913 64 S CB 1.034 64.335 63.200 0.168 0.000 1.085 64 S HN 0.246 nan 8.310 nan 0.000 0.480 65 Y N 1.385 121.283 120.300 -0.669 0.000 2.038 65 Y HA -0.418 4.257 4.550 0.208 0.000 0.266 65 Y C 1.824 177.296 175.900 -0.713 0.000 1.220 65 Y CA 2.401 59.831 58.100 -1.117 0.000 1.107 65 Y CB -0.814 36.470 38.460 -1.960 0.000 0.932 65 Y HN 0.829 nan 8.280 nan 0.000 0.500 66 Y N -0.113 120.215 120.300 0.046 0.000 2.151 66 Y HA -0.379 4.295 4.550 0.208 0.000 0.284 66 Y C 2.901 178.695 175.900 -0.177 0.000 1.166 66 Y CA 1.773 59.873 58.100 -0.001 0.000 1.163 66 Y CB -0.780 37.688 38.460 0.014 0.000 0.974 66 Y HN 0.301 nan 8.280 nan 0.000 0.511 67 Q N 0.205 119.935 119.800 -0.116 0.000 2.020 67 Q HA -0.145 4.320 4.340 0.208 0.000 0.202 67 Q C 2.607 178.354 176.000 -0.422 0.000 0.982 67 Q CA 1.401 57.066 55.803 -0.231 0.000 0.838 67 Q CB -0.584 28.049 28.738 -0.175 0.000 0.899 67 Q HN 0.552 nan 8.270 nan 0.000 0.423 68 G N 1.554 109.992 108.800 -0.603 0.000 2.631 68 G HA2 -0.339 3.746 3.960 0.208 0.000 0.219 68 G HA3 -0.339 3.746 3.960 0.208 0.000 0.219 68 G C 1.291 175.692 174.900 -0.831 0.000 1.214 68 G CA 1.224 45.635 45.100 -1.147 0.000 0.785 68 G HN 0.427 nan 8.290 nan 0.000 0.596 69 L N 0.396 121.314 121.223 -0.510 0.000 2.353 69 L HA 0.062 4.527 4.340 0.208 0.000 0.220 69 L C 2.800 179.600 176.870 -0.118 0.000 1.133 69 L CA 2.164 56.847 54.840 -0.261 0.000 0.798 69 L CB -0.306 41.691 42.059 -0.103 0.000 0.922 69 L HN 0.210 nan 8.230 nan 0.000 0.445 70 T N -0.721 113.737 114.554 -0.160 0.000 2.896 70 T HA -0.049 4.426 4.350 0.208 0.000 0.263 70 T C 1.788 176.455 174.700 -0.055 0.000 1.050 70 T CA 1.441 63.486 62.100 -0.091 0.000 1.140 70 T CB -0.092 68.685 68.868 -0.152 0.000 0.877 70 T HN 0.270 nan 8.240 nan 0.000 0.457 71 L N -0.148 120.990 121.223 -0.141 0.000 2.023 71 L HA -0.034 4.431 4.340 0.208 0.000 0.205 71 L C 2.459 179.381 176.870 0.087 0.000 1.073 71 L CA 1.600 56.434 54.840 -0.010 0.000 0.745 71 L CB -0.569 41.500 42.059 0.016 0.000 0.900 71 L HN 0.342 nan 8.230 nan 0.000 0.435 72 H N -0.170 118.876 119.070 -0.039 0.000 2.290 72 H HA -0.163 4.518 4.556 0.209 0.000 0.298 72 H C 2.076 177.370 175.328 -0.056 0.000 1.087 72 H CA 1.927 58.006 56.048 0.051 0.000 1.291 72 H CB -0.349 29.434 29.762 0.036 0.000 1.369 72 H HN 0.254 nan 8.280 nan 0.000 0.492 73 G N 0.026 108.880 108.800 0.090 0.000 2.628 73 G HA2 -0.324 3.761 3.960 0.208 0.000 0.217 73 G HA3 -0.324 3.761 3.960 0.208 0.000 0.217 73 G C 1.890 176.724 174.900 -0.111 0.000 1.240 73 G CA 1.560 46.565 45.100 -0.159 0.000 0.792 73 G HN 0.395 nan 8.290 nan 0.000 0.593 74 V N 0.765 120.702 119.914 0.039 0.000 2.343 74 V HA -0.076 4.169 4.120 0.208 0.000 0.247 74 V C 2.940 179.026 176.094 -0.013 0.000 1.051 74 V CA 1.552 63.899 62.300 0.079 0.000 1.036 74 V CB -0.289 31.614 31.823 0.132 0.000 0.654 74 V HN 0.342 nan 8.190 nan 0.000 0.451 75 L N -0.530 120.688 121.223 -0.008 0.000 2.072 75 L HA -0.122 4.343 4.340 0.208 0.000 0.205 75 L C 2.210 179.065 176.870 -0.025 0.000 1.079 75 L CA 1.827 56.669 54.840 0.004 0.000 0.752 75 L CB -0.770 41.320 42.059 0.051 0.000 0.906 75 L HN 0.432 nan 8.230 nan 0.000 0.436 76 N N -0.074 118.545 118.700 -0.135 0.000 2.109 76 N HA -0.108 4.757 4.740 0.208 0.000 0.188 76 N C 1.727 177.116 175.510 -0.203 0.000 1.034 76 N CA 1.169 54.093 53.050 -0.210 0.000 0.846 76 N CB -0.022 38.194 38.487 -0.451 0.000 1.010 76 N HN 0.259 nan 8.380 nan 0.000 0.425 77 A N -0.075 122.547 122.820 -0.330 0.000 2.085 77 A HA 0.230 4.675 4.320 0.208 0.000 0.208 77 A C 1.883 179.174 177.584 -0.488 0.000 1.191 77 A CA 0.071 51.733 52.037 -0.625 0.000 0.799 77 A CB 0.102 18.681 19.000 -0.702 0.000 0.877 77 A HN 0.107 nan 8.150 nan 0.000 0.473 78 I N -0.932 119.576 120.570 -0.104 0.000 2.364 78 I HA -0.083 4.212 4.170 0.208 0.000 0.241 78 I C 2.238 178.362 176.117 0.012 0.000 1.082 78 I CA 0.788 62.111 61.300 0.038 0.000 1.401 78 I CB 0.109 38.116 38.000 0.011 0.000 1.126 78 I HN 0.120 nan 8.210 nan 0.000 0.429 79 V N 0.516 120.409 119.914 -0.034 0.000 2.302 79 V HA -0.259 3.986 4.120 0.208 0.000 0.243 79 V C 2.216 178.469 176.094 0.266 0.000 1.036 79 V CA 1.730 64.140 62.300 0.183 0.000 1.020 79 V CB -0.735 31.154 31.823 0.110 0.000 0.657 79 V HN 0.420 nan 8.190 nan 0.000 0.453 80 F N 2.534 122.471 119.950 -0.023 0.000 2.171 80 F HA -0.213 4.439 4.527 0.209 0.000 0.300 80 F C 2.420 178.151 175.800 -0.115 0.000 1.090 80 F CA 2.102 60.034 58.000 -0.114 0.000 1.293 80 F CB -0.663 38.183 39.000 -0.255 0.000 1.013 80 F HN 0.289 nan 8.300 nan 0.000 0.486 81 T N -2.487 111.751 114.554 -0.526 0.000 3.088 81 T HA -0.030 4.445 4.350 0.208 0.000 0.259 81 T C 1.774 176.424 174.700 -0.083 0.000 1.122 81 T CA 0.677 62.423 62.100 -0.590 0.000 1.095 81 T CB -0.211 68.223 68.868 -0.724 0.000 0.930 81 T HN 0.469 nan 8.240 nan 0.000 0.508 82 Q N 0.337 120.232 119.800 0.158 0.000 2.123 82 Q HA 0.202 4.667 4.340 0.208 0.000 0.196 82 Q C 2.109 178.286 176.000 0.295 0.000 0.958 82 Q CA 0.756 56.827 55.803 0.447 0.000 0.841 82 Q CB -0.083 29.066 28.738 0.685 0.000 0.915 82 Q HN 0.540 nan 8.270 nan 0.000 0.455 83 L N -0.350 120.998 121.223 0.208 0.000 2.376 83 L HA -0.085 4.380 4.340 0.208 0.000 0.219 83 L C 2.021 178.963 176.870 0.120 0.000 1.133 83 L CA 0.504 55.490 54.840 0.243 0.000 0.816 83 L CB -0.266 41.932 42.059 0.231 0.000 0.933 83 L HN 0.169 nan 8.230 nan 0.000 0.449 84 F N 0.611 120.418 119.950 -0.238 0.000 2.234 84 F HA -0.043 4.613 4.527 0.214 0.000 0.296 84 F C 2.409 178.064 175.800 -0.241 0.000 1.089 84 F CA 0.994 58.813 58.000 -0.301 0.000 1.343 84 F CB -0.043 38.599 39.000 -0.596 0.000 1.040 84 F HN -0.019 nan 8.300 nan 0.000 0.498 85 A N 0.180 122.903 122.820 -0.163 0.000 1.873 85 A HA -0.185 4.260 4.320 0.208 0.000 0.215 85 A C 2.110 179.631 177.584 -0.105 0.000 1.186 85 A CA 1.721 53.565 52.037 -0.322 0.000 0.616 85 A CB -0.857 17.722 19.000 -0.701 0.000 0.823 85 A HN 0.554 nan 8.150 nan 0.000 0.442 86 Q N -0.570 119.272 119.800 0.069 0.000 1.948 86 Q HA -0.140 4.325 4.340 0.208 0.000 0.205 86 Q C 2.501 178.305 176.000 -0.327 0.000 0.992 86 Q CA 1.535 57.348 55.803 0.016 0.000 0.849 86 Q CB -0.511 28.095 28.738 -0.219 0.000 0.918 86 Q HN 0.637 nan 8.270 nan 0.000 0.421 87 A N 1.108 123.612 122.820 -0.526 0.000 1.909 87 A HA -0.277 4.168 4.320 0.208 0.000 0.221 87 A C 2.000 179.403 177.584 -0.301 0.000 1.223 87 A CA 2.056 53.834 52.037 -0.432 0.000 0.658 87 A CB -0.851 17.990 19.000 -0.265 0.000 0.831 87 A HN 0.341 nan 8.150 nan 0.000 0.462 88 I N -0.986 119.336 120.570 -0.413 0.000 2.188 88 I HA -0.096 4.199 4.170 0.208 0.000 0.237 88 I C 1.824 177.835 176.117 -0.176 0.000 1.073 88 I CA 0.996 62.083 61.300 -0.356 0.000 1.359 88 I CB -1.219 36.399 38.000 -0.636 0.000 1.083 88 I HN 0.281 nan 8.210 nan 0.000 0.412 89 M N 0.639 120.142 119.600 -0.161 0.000 2.766 89 M HA 0.029 4.634 4.480 0.208 0.000 0.208 89 M C 1.303 177.796 176.300 0.321 0.000 1.152 89 M CA 0.391 55.709 55.300 0.030 0.000 1.013 89 M CB -1.164 31.288 32.600 -0.247 0.000 1.813 89 M HN 0.060 nan 8.290 nan 0.000 0.478 90 V N -2.137 117.831 119.914 0.090 0.000 3.161 90 V HA -0.060 4.184 4.120 0.208 0.000 0.221 90 V C 1.735 177.842 176.094 0.021 0.000 1.296 90 V CA 0.123 62.426 62.300 0.005 0.000 1.306 90 V CB -0.759 30.979 31.823 -0.140 0.000 1.171 90 V HN 0.221 nan 8.190 nan 0.000 0.513 91 Y N 1.455 121.687 120.300 -0.113 0.000 2.315 91 Y HA -0.138 4.535 4.550 0.205 0.000 0.288 91 Y C 1.933 177.824 175.900 -0.015 0.000 1.154 91 Y CA 1.529 59.579 58.100 -0.082 0.000 1.229 91 Y CB -0.174 38.225 38.460 -0.101 0.000 0.980 91 Y HN 0.149 nan 8.280 nan 0.000 0.540 92 L N 0.224 121.396 121.223 -0.085 0.000 2.062 92 L HA -0.035 4.430 4.340 0.208 0.000 0.202 92 L C -0.146 176.711 176.870 -0.022 0.000 1.079 92 L CA 0.879 55.691 54.840 -0.047 0.000 0.755 92 L CB -2.075 40.005 42.059 0.036 0.000 0.913 92 L HN 0.043 nan 8.230 nan 0.000 0.445 93 P HA -0.247 nan 4.420 nan 0.000 0.216 93 P C 1.504 178.749 177.300 -0.090 0.000 1.153 93 P CA 2.209 65.275 63.100 -0.057 0.000 0.858 93 P CB -0.074 31.607 31.700 -0.030 0.000 0.789 94 A N 1.124 123.896 122.820 -0.080 0.000 1.873 94 A HA -0.294 4.151 4.320 0.208 0.000 0.219 94 A C 2.400 179.895 177.584 -0.149 0.000 1.269 94 A CA 2.595 54.579 52.037 -0.088 0.000 0.671 94 A CB -1.379 17.573 19.000 -0.081 0.000 0.842 94 A HN 0.091 nan 8.150 nan 0.000 0.460 95 R N -0.677 119.665 120.500 -0.264 0.000 2.092 95 R HA -0.114 4.351 4.340 0.208 0.000 0.231 95 R C 2.157 178.299 176.300 -0.263 0.000 1.119 95 R CA 1.301 57.219 56.100 -0.304 0.000 0.970 95 R CB -0.669 29.380 30.300 -0.419 0.000 0.864 95 R HN 0.886 nan 8.270 nan 0.000 0.440 96 E N 1.163 121.164 120.200 -0.331 0.000 2.333 96 E HA -0.120 4.355 4.350 0.208 0.000 0.198 96 E C 1.209 177.658 176.600 -0.250 0.000 1.007 96 E CA 0.695 56.791 56.400 -0.507 0.000 0.845 96 E CB 0.148 29.504 29.700 -0.574 0.000 0.766 96 E HN 0.299 nan 8.360 nan 0.000 0.507 97 L N 0.024 121.168 121.223 -0.130 0.000 2.766 97 L HA 0.190 4.655 4.340 0.208 0.000 0.242 97 L C 0.538 177.463 176.870 0.092 0.000 1.136 97 L CA -0.037 54.837 54.840 0.057 0.000 0.933 97 L CB -0.301 41.819 42.059 0.101 0.000 1.241 97 L HN 0.123 nan 8.230 nan 0.000 0.522 98 N N 1.131 119.828 118.700 -0.005 0.000 2.716 98 N HA -0.256 4.609 4.740 0.208 0.000 0.250 98 N C -0.284 175.300 175.510 0.123 0.000 1.033 98 N CA 0.587 53.664 53.050 0.046 0.000 0.727 98 N CB -0.520 38.020 38.487 0.089 0.000 0.950 98 N HN 0.380 nan 8.380 nan 0.000 0.541 99 M N 0.230 119.884 119.600 0.089 0.000 2.530 99 M HA 0.380 4.985 4.480 0.208 0.000 0.307 99 M C -0.194 176.176 176.300 0.117 0.000 1.161 99 M CA -0.796 54.580 55.300 0.126 0.000 0.903 99 M CB 1.564 34.246 32.600 0.137 0.000 1.711 99 M HN 0.197 nan 8.290 nan 0.000 0.451 100 R N 4.574 125.163 120.500 0.147 0.000 2.234 100 R HA 0.468 4.933 4.340 0.208 0.000 0.324 100 R C -2.485 173.883 176.300 0.113 0.000 1.054 100 R CA -1.426 54.766 56.100 0.152 0.000 0.912 100 R CB 0.624 31.032 30.300 0.181 0.000 1.030 100 R HN 0.332 nan 8.270 nan 0.000 0.455 101 P HA -0.055 nan 4.420 nan 0.000 0.271 101 P C -0.769 176.590 177.300 0.098 0.000 1.216 101 P CA -0.262 62.881 63.100 0.071 0.000 0.776 101 P CB 0.536 32.261 31.700 0.043 0.000 0.881 102 N N 3.752 122.510 118.700 0.098 0.000 2.576 102 N HA -0.067 4.798 4.740 0.208 0.000 0.307 102 N C 1.163 176.769 175.510 0.160 0.000 1.213 102 N CA 0.260 53.391 53.050 0.134 0.000 1.156 102 N CB -0.223 38.361 38.487 0.163 0.000 1.463 102 N HN 0.329 nan 8.380 nan 0.000 0.504 103 M N 0.473 120.176 119.600 0.172 0.000 2.435 103 M HA -0.111 4.494 4.480 0.208 0.000 0.262 103 M C 1.984 178.468 176.300 0.306 0.000 1.065 103 M CA 0.944 56.378 55.300 0.224 0.000 1.076 103 M CB -0.692 32.064 32.600 0.260 0.000 1.403 103 M HN 0.460 nan 8.290 nan 0.000 0.454 104 G N 1.562 110.509 108.800 0.244 0.000 2.545 104 G HA2 -0.225 3.860 3.960 0.208 0.000 0.217 104 G HA3 -0.225 3.860 3.960 0.208 0.000 0.217 104 G C 1.508 176.566 174.900 0.264 0.000 1.218 104 G CA 0.740 45.982 45.100 0.236 0.000 0.787 104 G HN 0.401 nan 8.290 nan 0.000 0.571 105 L N -0.211 121.148 121.223 0.226 0.000 2.012 105 L HA -0.135 4.330 4.340 0.208 0.000 0.210 105 L C 2.956 179.975 176.870 0.248 0.000 1.073 105 L CA 1.755 56.730 54.840 0.225 0.000 0.748 105 L CB -0.474 41.721 42.059 0.227 0.000 0.891 105 L HN 0.317 nan 8.230 nan 0.000 0.431 106 M N -0.944 118.780 119.600 0.206 0.000 2.144 106 M HA -0.265 4.340 4.480 0.208 0.000 0.260 106 M C 2.000 178.410 176.300 0.182 0.000 1.067 106 M CA 2.170 57.551 55.300 0.135 0.000 1.095 106 M CB -0.191 32.410 32.600 0.000 0.000 1.365 106 M HN 0.201 nan 8.290 nan 0.000 0.406 107 W N -0.376 121.105 121.300 0.303 0.000 2.584 107 W HA -0.057 4.724 4.660 0.203 0.000 0.264 107 W C 1.898 178.758 176.519 0.567 0.000 1.264 107 W CA -0.104 57.482 57.345 0.402 0.000 1.306 107 W CB -0.202 29.476 29.460 0.364 0.000 1.110 107 W HN 0.241 nan 8.180 nan 0.000 0.606 108 L N 0.651 122.218 121.223 0.574 0.000 1.970 108 L HA -0.235 4.230 4.340 0.208 0.000 0.212 108 L C 2.744 179.849 176.870 0.391 0.000 1.071 108 L CA 2.497 57.601 54.840 0.440 0.000 0.751 108 L CB -1.636 40.593 42.059 0.284 0.000 0.889 108 L HN 0.012 nan 8.230 nan 0.000 0.432 109 S N -1.000 114.894 115.700 0.323 0.000 2.432 109 S HA -0.418 4.177 4.470 0.208 0.000 0.266 109 S C 1.884 176.629 174.600 0.241 0.000 1.076 109 S CA 2.681 61.065 58.200 0.306 0.000 1.320 109 S CB -1.538 61.870 63.200 0.347 0.000 1.222 109 S HN 0.628 nan 8.310 nan 0.000 0.439 110 W N 0.358 121.640 121.300 -0.031 0.000 2.350 110 W HA -0.032 4.754 4.660 0.210 0.000 0.289 110 W C 1.904 178.221 176.519 -0.338 0.000 1.215 110 W CA 1.416 58.428 57.345 -0.555 0.000 1.236 110 W CB -0.564 28.433 29.460 -0.770 0.000 1.130 110 W HN 0.511 nan 8.180 nan 0.000 0.541 111 W N -0.355 121.153 121.300 0.348 0.000 2.407 111 W HA -0.160 4.623 4.660 0.205 0.000 0.305 111 W C 2.621 179.182 176.519 0.070 0.000 1.196 111 W CA 1.463 58.983 57.345 0.292 0.000 1.311 111 W CB -0.912 28.756 29.460 0.347 0.000 1.135 111 W HN -0.259 nan 8.180 nan 0.000 0.514 112 M N 0.113 119.866 119.600 0.255 0.000 2.073 112 M HA -0.278 4.327 4.480 0.208 0.000 0.258 112 M C 2.365 178.635 176.300 -0.050 0.000 1.070 112 M CA 2.106 57.476 55.300 0.117 0.000 1.103 112 M CB -1.353 31.314 32.600 0.112 0.000 1.321 112 M HN 0.103 nan 8.290 nan 0.000 0.405 113 A N -0.057 122.611 122.820 -0.254 0.000 1.892 113 A HA -0.241 4.204 4.320 0.208 0.000 0.218 113 A C 2.034 179.367 177.584 -0.418 0.000 1.188 113 A CA 1.993 53.673 52.037 -0.595 0.000 0.631 113 A CB -1.016 17.459 19.000 -0.875 0.000 0.822 113 A HN 0.605 nan 8.150 nan 0.000 0.447 114 F N -0.518 119.078 119.950 -0.590 0.000 2.317 114 F HA 0.109 4.762 4.527 0.209 0.000 0.293 114 F C 1.841 177.521 175.800 -0.200 0.000 1.085 114 F CA 0.714 58.368 58.000 -0.577 0.000 1.390 114 F CB -0.010 38.346 39.000 -1.074 0.000 1.077 114 F HN 0.142 nan 8.300 nan 0.000 0.517 115 I N 0.802 121.272 120.570 -0.167 0.000 2.058 115 I HA -0.261 4.034 4.170 0.208 0.000 0.235 115 I C 2.881 178.928 176.117 -0.117 0.000 1.053 115 I CA 1.829 63.061 61.300 -0.114 0.000 1.313 115 I CB -1.381 36.673 38.000 0.091 0.000 1.039 115 I HN 0.277 nan 8.210 nan 0.000 0.396 116 G N 0.986 109.772 108.800 -0.023 0.000 2.599 116 G HA2 -0.357 3.728 3.960 0.208 0.000 0.219 116 G HA3 -0.357 3.728 3.960 0.208 0.000 0.219 116 G C 1.633 176.558 174.900 0.041 0.000 1.193 116 G CA 1.504 46.635 45.100 0.051 0.000 0.778 116 G HN 0.317 nan 8.290 nan 0.000 0.589 117 L N 0.424 121.737 121.223 0.151 0.000 1.978 117 L HA -0.135 4.330 4.340 0.208 0.000 0.218 117 L C 2.985 179.797 176.870 -0.097 0.000 1.075 117 L CA 2.080 56.980 54.840 0.101 0.000 0.767 117 L CB -0.787 41.365 42.059 0.156 0.000 0.890 117 L HN 0.119 nan 8.230 nan 0.000 0.434 118 V N -1.377 118.390 119.914 -0.245 0.000 2.270 118 V HA -0.261 3.984 4.120 0.208 0.000 0.245 118 V C 2.511 178.499 176.094 -0.177 0.000 1.043 118 V CA 1.500 63.633 62.300 -0.278 0.000 1.014 118 V CB -0.234 31.277 31.823 -0.520 0.000 0.645 118 V HN 0.365 nan 8.190 nan 0.000 0.447 119 V N 0.308 120.130 119.914 -0.153 0.000 2.280 119 V HA -0.415 3.830 4.120 0.208 0.000 0.258 119 V C 2.534 178.549 176.094 -0.132 0.000 1.081 119 V CA 2.691 64.924 62.300 -0.110 0.000 1.070 119 V CB -1.057 30.730 31.823 -0.061 0.000 0.666 119 V HN 0.618 nan 8.190 nan 0.000 0.450 120 A N -1.103 121.634 122.820 -0.138 0.000 1.887 120 A HA 0.216 4.660 4.320 0.208 0.000 0.212 120 A C 2.387 179.922 177.584 -0.082 0.000 1.198 120 A CA 1.363 53.306 52.037 -0.156 0.000 0.628 120 A CB -0.769 18.065 19.000 -0.276 0.000 0.847 120 A HN 0.592 nan 8.150 nan 0.000 0.449 121 A N 0.303 123.077 122.820 -0.076 0.000 1.958 121 A HA -0.156 4.289 4.320 0.208 0.000 0.221 121 A C 2.139 179.703 177.584 -0.032 0.000 1.178 121 A CA 1.669 53.687 52.037 -0.032 0.000 0.642 121 A CB -0.775 18.202 19.000 -0.037 0.000 0.816 121 A HN 0.495 nan 8.150 nan 0.000 0.453 122 L N -0.300 120.879 121.223 -0.074 0.000 1.956 122 L HA -0.170 4.295 4.340 0.208 0.000 0.216 122 L C -0.236 176.573 176.870 -0.103 0.000 1.073 122 L CA 2.064 56.850 54.840 -0.090 0.000 0.762 122 L CB -1.879 40.111 42.059 -0.114 0.000 0.889 122 L HN 0.264 nan 8.230 nan 0.000 0.433 123 P HA -0.188 nan 4.420 nan 0.000 0.217 123 P C 1.899 179.167 177.300 -0.052 0.000 1.148 123 P CA 1.570 64.548 63.100 -0.203 0.000 0.828 123 P CB -0.079 31.515 31.700 -0.177 0.000 0.783 124 L N -1.595 119.631 121.223 0.006 0.000 2.109 124 L HA -0.077 4.388 4.340 0.208 0.000 0.207 124 L C 2.487 179.413 176.870 0.093 0.000 1.086 124 L CA 1.268 56.130 54.840 0.038 0.000 0.760 124 L CB -1.038 41.063 42.059 0.069 0.000 0.910 124 L HN -0.026 nan 8.230 nan 0.000 0.437 125 L N -0.224 121.072 121.223 0.121 0.000 2.313 125 L HA -0.005 4.460 4.340 0.208 0.000 0.214 125 L C 2.684 179.704 176.870 0.250 0.000 1.119 125 L CA 0.697 55.695 54.840 0.264 0.000 0.809 125 L CB -0.700 41.409 42.059 0.083 0.000 0.933 125 L HN 0.132 nan 8.230 nan 0.000 0.449 126 A N -0.245 122.638 122.820 0.105 0.000 2.067 126 A HA -0.113 4.332 4.320 0.208 0.000 0.217 126 A C 1.319 178.966 177.584 0.105 0.000 1.156 126 A CA 0.914 52.995 52.037 0.074 0.000 0.683 126 A CB -0.291 18.695 19.000 -0.023 0.000 0.808 126 A HN 0.555 nan 8.150 nan 0.000 0.455 127 N N -1.294 117.474 118.700 0.113 0.000 2.926 127 N HA -0.122 4.743 4.740 0.208 0.000 0.249 127 N C 0.020 175.721 175.510 0.318 0.000 1.100 127 N CA 1.180 54.327 53.050 0.160 0.000 0.777 127 N CB -1.438 37.161 38.487 0.187 0.000 1.112 127 N HN 0.565 nan 8.380 nan 0.000 0.552 128 E N -0.858 119.468 120.200 0.211 0.000 2.538 128 E HA 0.403 4.878 4.350 0.208 0.000 0.207 128 E C 0.257 177.052 176.600 0.326 0.000 1.002 128 E CA 0.611 57.197 56.400 0.309 0.000 0.952 128 E CB 0.591 30.333 29.700 0.069 0.000 1.031 128 E HN 0.473 nan 8.360 nan 0.000 0.476 129 A N 0.901 123.749 122.820 0.047 0.000 2.897 129 A HA 0.175 4.620 4.320 0.208 0.000 0.230 129 A C 0.146 177.335 177.584 -0.658 0.000 0.896 129 A CA -0.413 51.467 52.037 -0.262 0.000 1.114 129 A CB -0.099 18.709 19.000 -0.320 0.000 1.230 129 A HN -0.113 nan 8.150 nan 0.000 0.481 130 T N 2.023 115.960 114.554 -1.029 0.000 3.462 130 T HA 0.301 4.776 4.350 0.208 0.000 0.257 130 T C 1.023 175.049 174.700 -1.123 0.000 1.015 130 T CA 1.058 62.511 62.100 -1.079 0.000 1.135 130 T CB -0.548 67.589 68.868 -1.218 0.000 1.061 130 T HN 0.995 nan 8.240 nan 0.000 0.772 131 V N 0.471 119.986 119.914 -0.664 0.000 3.372 131 V HA 0.425 4.670 4.120 0.208 0.000 0.304 131 V C 0.234 176.206 176.094 -0.203 0.000 1.530 131 V CA -0.849 61.213 62.300 -0.397 0.000 1.080 131 V CB -1.024 30.612 31.823 -0.310 0.000 0.929 131 V HN 0.712 nan 8.190 nan 0.000 0.455 132 L N -0.770 120.354 121.223 -0.165 0.000 0.585 132 L HA -0.235 4.230 4.340 0.208 0.000 0.356 132 L C 1.188 178.113 176.870 0.091 0.000 0.973 132 L CA 0.600 55.438 54.840 -0.003 0.000 1.223 132 L CB -0.928 41.161 42.059 0.050 0.000 0.012 132 L HN 0.674 nan 8.230 nan 0.000 0.091 133 Y N -0.555 119.711 120.300 -0.056 0.000 2.716 133 Y HA -0.045 4.629 4.550 0.208 0.000 0.302 133 Y C 1.733 177.470 175.900 -0.272 0.000 1.160 133 Y CA 1.291 59.396 58.100 0.008 0.000 1.362 133 Y CB -1.228 37.246 38.460 0.024 0.000 0.988 133 Y HN 0.588 nan 8.280 nan 0.000 0.546 134 T N -2.637 111.419 114.554 -0.830 0.000 3.000 134 T HA 0.081 4.556 4.350 0.208 0.000 0.248 134 T C 0.643 174.007 174.700 -2.226 0.000 1.034 134 T CA 0.173 61.116 62.100 -1.929 0.000 1.060 134 T CB -0.970 66.639 68.868 -2.097 0.000 0.983 134 T HN 0.521 nan 8.240 nan 0.000 0.482 135 F N 0.561 120.234 119.950 -0.461 0.000 2.925 135 F HA -0.245 4.406 4.527 0.208 0.000 0.239 135 F C -0.441 175.275 175.800 -0.140 0.000 1.009 135 F CA -1.403 56.471 58.000 -0.209 0.000 0.847 135 F CB -3.005 35.961 39.000 -0.057 0.000 0.719 135 F HN 0.297 nan 8.300 nan 0.000 0.826 136 Y N 2.590 122.735 120.300 -0.258 0.000 2.834 136 Y HA 0.088 4.763 4.550 0.209 0.000 0.355 136 Y C -1.148 174.771 175.900 0.031 0.000 1.287 136 Y CA -1.716 56.278 58.100 -0.176 0.000 1.647 136 Y CB -0.108 38.251 38.460 -0.169 0.000 1.221 136 Y HN 0.125 nan 8.280 nan 0.000 0.519 137 P HA -0.016 nan 4.420 nan 0.000 0.269 137 P C -2.251 175.073 177.300 0.040 0.000 1.209 137 P CA -1.401 61.761 63.100 0.104 0.000 0.776 137 P CB 0.807 32.369 31.700 -0.231 0.000 0.876 138 P HA 0.072 nan 4.420 nan 0.000 0.241 138 P C 0.050 177.665 177.300 0.525 0.000 1.191 138 P CA 0.294 63.525 63.100 0.219 0.000 0.771 138 P CB 0.028 31.887 31.700 0.264 0.000 0.929 139 L N 0.650 122.131 121.223 0.430 0.000 2.559 139 L HA -0.002 4.463 4.340 0.208 0.000 0.274 139 L C 0.963 178.226 176.870 0.655 0.000 1.205 139 L CA 0.971 56.120 54.840 0.514 0.000 0.907 139 L CB -0.448 41.831 42.059 0.367 0.000 1.153 139 L HN -0.099 nan 8.230 nan 0.000 0.490 140 K N 2.796 123.595 120.400 0.665 0.000 2.367 140 K HA 0.536 4.980 4.320 0.208 0.000 0.263 140 K C -0.003 176.830 176.600 0.389 0.000 1.000 140 K CA -0.438 56.100 56.287 0.418 0.000 0.891 140 K CB 1.003 33.513 32.500 0.016 0.000 1.117 140 K HN 0.741 nan 8.250 nan 0.000 0.443 141 G N 2.148 111.210 108.800 0.437 0.000 2.448 141 G HA2 0.055 4.140 3.960 0.208 0.000 0.285 141 G HA3 0.055 4.140 3.960 0.208 0.000 0.285 141 G C -0.620 174.546 174.900 0.443 0.000 1.176 141 G CA -0.426 44.910 45.100 0.394 0.000 0.852 141 G HN 0.752 nan 8.290 nan 0.000 0.530 142 H N 1.353 120.564 119.070 0.235 0.000 3.064 142 H HA -0.090 4.591 4.556 0.208 0.000 0.329 142 H C 1.443 176.922 175.328 0.251 0.000 1.020 142 H CA 0.379 56.530 56.048 0.171 0.000 1.402 142 H CB 0.512 30.294 29.762 0.032 0.000 1.379 142 H HN 0.763 nan 8.280 nan 0.000 0.594 143 W N 3.830 125.019 121.300 -0.184 0.000 2.364 143 W HA -0.140 4.645 4.660 0.208 0.000 0.281 143 W C 1.263 177.879 176.519 0.162 0.000 1.219 143 W CA 0.834 58.196 57.345 0.028 0.000 1.220 143 W CB -1.162 28.349 29.460 0.083 0.000 1.127 143 W HN 0.583 nan 8.180 nan 0.000 0.556 144 A N 0.380 122.882 122.820 -0.530 0.000 2.119 144 A HA -0.020 4.425 4.320 0.208 0.000 0.216 144 A C 1.794 179.324 177.584 -0.090 0.000 1.152 144 A CA 0.888 52.656 52.037 -0.448 0.000 0.708 144 A CB -1.131 17.493 19.000 -0.626 0.000 0.805 144 A HN 0.291 nan 8.150 nan 0.000 0.460 145 F N -0.314 119.575 119.950 -0.102 0.000 2.084 145 F HA -0.147 4.506 4.527 0.209 0.000 0.296 145 F C 2.030 177.648 175.800 -0.304 0.000 1.111 145 F CA 1.794 59.655 58.000 -0.232 0.000 1.224 145 F CB -0.383 38.411 39.000 -0.343 0.000 0.991 145 F HN 0.297 nan 8.300 nan 0.000 0.471 146 Y N 0.061 120.286 120.300 -0.124 0.000 2.153 146 Y HA -0.149 4.526 4.550 0.208 0.000 0.289 146 Y C 2.335 178.059 175.900 -0.293 0.000 1.127 146 Y CA 1.589 59.521 58.100 -0.280 0.000 1.131 146 Y CB -1.140 37.276 38.460 -0.074 0.000 0.995 146 Y HN 0.197 nan 8.280 nan 0.000 0.505 147 L N 0.100 121.313 121.223 -0.017 0.000 2.017 147 L HA -0.072 4.393 4.340 0.208 0.000 0.208 147 L C 2.454 179.272 176.870 -0.087 0.000 1.073 147 L CA 2.165 56.979 54.840 -0.043 0.000 0.745 147 L CB -1.093 41.010 42.059 0.073 0.000 0.894 147 L HN 0.235 nan 8.230 nan 0.000 0.432 148 G N -0.472 108.249 108.800 -0.130 0.000 2.599 148 G HA2 -0.424 3.661 3.960 0.208 0.000 0.219 148 G HA3 -0.424 3.661 3.960 0.208 0.000 0.219 148 G C 1.584 176.345 174.900 -0.232 0.000 1.193 148 G CA 1.314 46.306 45.100 -0.181 0.000 0.778 148 G HN 0.682 nan 8.290 nan 0.000 0.589 149 A N 0.402 122.945 122.820 -0.461 0.000 1.898 149 A HA 0.059 4.504 4.320 0.208 0.000 0.216 149 A C 2.734 180.174 177.584 -0.239 0.000 1.181 149 A CA 2.322 54.069 52.037 -0.482 0.000 0.620 149 A CB -0.587 17.922 19.000 -0.817 0.000 0.819 149 A HN 0.407 nan 8.150 nan 0.000 0.442 150 S N -0.035 115.538 115.700 -0.212 0.000 2.368 150 S HA -0.131 4.464 4.470 0.208 0.000 0.225 150 S C 1.849 176.403 174.600 -0.077 0.000 1.030 150 S CA 1.378 59.497 58.200 -0.135 0.000 0.999 150 S CB -0.708 62.410 63.200 -0.137 0.000 0.844 150 S HN 0.322 nan 8.310 nan 0.000 0.459 151 V N 2.008 121.898 119.914 -0.039 0.000 2.214 151 V HA -0.214 4.031 4.120 0.208 0.000 0.245 151 V C 1.884 178.042 176.094 0.106 0.000 1.047 151 V CA 2.195 64.502 62.300 0.013 0.000 0.998 151 V CB -0.958 30.883 31.823 0.030 0.000 0.633 151 V HN 0.581 nan 8.190 nan 0.000 0.446 152 F N 0.400 120.316 119.950 -0.056 0.000 2.184 152 F HA -0.255 4.398 4.527 0.211 0.000 0.301 152 F C 2.097 177.925 175.800 0.047 0.000 1.076 152 F CA 1.712 59.700 58.000 -0.021 0.000 1.295 152 F CB -0.008 38.952 39.000 -0.067 0.000 1.026 152 F HN 0.003 nan 8.300 nan 0.000 0.494 153 V N 0.680 120.876 119.914 0.470 0.000 2.591 153 V HA -0.242 4.003 4.120 0.208 0.000 0.249 153 V C 2.213 178.468 176.094 0.267 0.000 1.053 153 V CA 1.383 63.916 62.300 0.387 0.000 1.068 153 V CB -0.346 31.608 31.823 0.217 0.000 0.689 153 V HN 0.379 nan 8.190 nan 0.000 0.462 154 L N -0.225 121.033 121.223 0.058 0.000 2.201 154 L HA -0.122 4.343 4.340 0.208 0.000 0.212 154 L C 2.599 179.548 176.870 0.131 0.000 1.105 154 L CA 1.214 55.982 54.840 -0.119 0.000 0.775 154 L CB -0.510 41.389 42.059 -0.267 0.000 0.913 154 L HN 0.315 nan 8.230 nan 0.000 0.440 155 S N -0.588 115.210 115.700 0.163 0.000 2.441 155 S HA -0.219 4.376 4.470 0.208 0.000 0.242 155 S C 1.898 176.678 174.600 0.300 0.000 1.018 155 S CA 1.939 60.247 58.200 0.180 0.000 0.988 155 S CB -0.264 62.960 63.200 0.039 0.000 0.778 155 S HN 0.687 nan 8.310 nan 0.000 0.498 156 T N -3.565 111.265 114.554 0.460 0.000 3.060 156 T HA 0.089 4.564 4.350 0.208 0.000 0.249 156 T C 1.192 176.299 174.700 0.678 0.000 1.079 156 T CA -0.144 62.316 62.100 0.601 0.000 1.013 156 T CB -0.297 69.084 68.868 0.855 0.000 0.975 156 T HN 0.428 nan 8.240 nan 0.000 0.518 157 W N 1.606 123.086 121.300 0.301 0.000 2.418 157 W HA 0.170 4.954 4.660 0.207 0.000 0.292 157 W C 2.270 178.895 176.519 0.177 0.000 1.213 157 W CA -0.503 56.996 57.345 0.257 0.000 1.283 157 W CB -1.101 28.492 29.460 0.220 0.000 1.119 157 W HN 0.074 nan 8.180 nan 0.000 0.542 158 V N 0.309 120.451 119.914 0.380 0.000 2.215 158 V HA -0.406 3.838 4.120 0.208 0.000 0.249 158 V C 2.315 178.503 176.094 0.157 0.000 1.054 158 V CA 2.590 65.038 62.300 0.248 0.000 1.012 158 V CB -1.624 30.330 31.823 0.218 0.000 0.639 158 V HN 0.085 nan 8.190 nan 0.000 0.448 159 S N -0.328 115.395 115.700 0.038 0.000 2.392 159 S HA -0.205 4.390 4.470 0.208 0.000 0.232 159 S C 1.796 176.079 174.600 -0.529 0.000 1.041 159 S CA 1.973 59.993 58.200 -0.300 0.000 1.026 159 S CB -0.555 62.366 63.200 -0.466 0.000 0.845 159 S HN 0.508 nan 8.310 nan 0.000 0.465 160 I N -0.174 120.262 120.570 -0.225 0.000 2.208 160 I HA -0.255 4.040 4.170 0.208 0.000 0.245 160 I C 2.229 178.301 176.117 -0.075 0.000 1.097 160 I CA 1.722 62.968 61.300 -0.091 0.000 1.363 160 I CB -0.429 37.636 38.000 0.109 0.000 1.051 160 I HN 0.342 nan 8.210 nan 0.000 0.413 161 Y N 1.684 121.934 120.300 -0.084 0.000 2.153 161 Y HA -0.191 4.486 4.550 0.211 0.000 0.289 161 Y C 2.472 178.345 175.900 -0.046 0.000 1.127 161 Y CA 1.540 59.613 58.100 -0.044 0.000 1.131 161 Y CB -0.137 38.330 38.460 0.011 0.000 0.995 161 Y HN -0.051 nan 8.280 nan 0.000 0.505 162 I N -0.600 119.962 120.570 -0.013 0.000 2.087 162 I HA -0.410 3.885 4.170 0.208 0.000 0.240 162 I C 2.285 178.287 176.117 -0.191 0.000 1.054 162 I CA 1.897 63.147 61.300 -0.084 0.000 1.311 162 I CB -0.910 37.066 38.000 -0.039 0.000 1.024 162 I HN 0.163 nan 8.210 nan 0.000 0.402 163 V N 0.938 120.705 119.914 -0.245 0.000 2.255 163 V HA -0.293 3.952 4.120 0.208 0.000 0.247 163 V C 2.419 178.457 176.094 -0.094 0.000 1.051 163 V CA 1.901 64.098 62.300 -0.171 0.000 1.018 163 V CB -0.508 31.192 31.823 -0.204 0.000 0.641 163 V HN 0.359 nan 8.190 nan 0.000 0.445 164 L N 0.114 121.256 121.223 -0.133 0.000 2.187 164 L HA -0.217 4.248 4.340 0.208 0.000 0.213 164 L C 2.188 178.996 176.870 -0.104 0.000 1.100 164 L CA 1.823 56.636 54.840 -0.045 0.000 0.765 164 L CB -0.603 41.415 42.059 -0.069 0.000 0.904 164 L HN 0.494 nan 8.230 nan 0.000 0.437 165 D N 0.317 120.517 120.400 -0.334 0.000 2.120 165 D HA -0.249 4.516 4.640 0.208 0.000 0.191 165 D C 2.189 178.457 176.300 -0.054 0.000 0.994 165 D CA 1.708 55.531 54.000 -0.295 0.000 0.838 165 D CB -0.159 40.435 40.800 -0.343 0.000 0.976 165 D HN 0.169 nan 8.370 nan 0.000 0.447 166 L N -0.785 120.434 121.223 -0.006 0.000 2.089 166 L HA -0.177 4.288 4.340 0.208 0.000 0.213 166 L C 2.307 179.297 176.870 0.200 0.000 1.079 166 L CA 1.308 56.199 54.840 0.085 0.000 0.758 166 L CB -0.548 41.545 42.059 0.057 0.000 0.891 166 L HN 0.380 nan 8.230 nan 0.000 0.433 167 W N 0.570 121.854 121.300 -0.027 0.000 2.379 167 W HA -0.153 4.627 4.660 0.199 0.000 0.307 167 W C 2.899 179.465 176.519 0.079 0.000 1.200 167 W CA 1.180 58.532 57.345 0.012 0.000 1.297 167 W CB -0.349 29.092 29.460 -0.032 0.000 1.140 167 W HN -0.051 nan 8.180 nan 0.000 0.507 168 R N 0.665 121.196 120.500 0.051 0.000 2.096 168 R HA -0.207 4.258 4.340 0.208 0.000 0.240 168 R C 2.109 178.360 176.300 -0.082 0.000 1.139 168 R CA 2.363 58.395 56.100 -0.112 0.000 0.952 168 R CB -0.489 29.773 30.300 -0.063 0.000 0.854 168 R HN 0.286 nan 8.270 nan 0.000 0.436 169 R N -1.941 118.565 120.500 0.010 0.000 2.100 169 R HA -0.076 4.389 4.340 0.208 0.000 0.220 169 R C 2.122 178.458 176.300 0.060 0.000 1.091 169 R CA 1.095 57.208 56.100 0.022 0.000 0.986 169 R CB -0.689 29.632 30.300 0.036 0.000 0.888 169 R HN 0.300 nan 8.270 nan 0.000 0.444 170 W N 2.593 123.867 121.300 -0.043 0.000 2.364 170 W HA -0.143 4.625 4.660 0.180 0.000 0.281 170 W C 1.355 177.830 176.519 -0.074 0.000 1.219 170 W CA 1.272 58.600 57.345 -0.028 0.000 1.220 170 W CB 0.266 29.747 29.460 0.035 0.000 1.127 170 W HN -0.142 nan 8.180 nan 0.000 0.556 171 K N -0.123 120.380 120.400 0.172 0.000 2.305 171 K HA 0.045 4.490 4.320 0.208 0.000 0.199 171 K C 2.096 178.607 176.600 -0.148 0.000 1.047 171 K CA 1.005 57.293 56.287 0.002 0.000 0.976 171 K CB -0.554 31.858 32.500 -0.148 0.000 0.765 171 K HN 0.247 nan 8.250 nan 0.000 0.474 172 A N 1.431 124.175 122.820 -0.126 0.000 1.930 172 A HA -0.038 4.407 4.320 0.208 0.000 0.217 172 A C 2.281 179.767 177.584 -0.162 0.000 1.175 172 A CA 1.746 53.710 52.037 -0.122 0.000 0.627 172 A CB -0.377 18.575 19.000 -0.081 0.000 0.815 172 A HN 0.252 nan 8.150 nan 0.000 0.443 173 A N -0.822 121.867 122.820 -0.218 0.000 2.168 173 A HA 0.037 4.482 4.320 0.208 0.000 0.215 173 A C 0.789 178.129 177.584 -0.406 0.000 1.152 173 A CA 0.699 52.566 52.037 -0.283 0.000 0.716 173 A CB -0.182 18.638 19.000 -0.300 0.000 0.794 173 A HN 0.525 nan 8.150 nan 0.000 0.465 174 N N 0.635 119.033 118.700 -0.503 0.000 2.726 174 N HA 0.190 5.055 4.740 0.208 0.000 0.253 174 N C -3.241 172.083 175.510 -0.310 0.000 1.530 174 N CA -0.797 51.918 53.050 -0.557 0.000 0.772 174 N CB 1.462 39.234 38.487 -1.192 0.000 1.220 174 N HN 0.208 nan 8.380 nan 0.000 0.508 175 P HA 0.035 nan 4.420 nan 0.000 0.269 175 P C 0.757 178.021 177.300 -0.060 0.000 1.215 175 P CA 0.608 63.648 63.100 -0.099 0.000 0.780 175 P CB 0.638 32.287 31.700 -0.085 0.000 0.898 176 G N 1.146 109.937 108.800 -0.015 0.000 2.369 176 G HA2 -0.265 3.820 3.960 0.208 0.000 0.286 176 G HA3 -0.265 3.820 3.960 0.208 0.000 0.286 176 G C -0.147 174.776 174.900 0.039 0.000 0.938 176 G CA 0.498 45.606 45.100 0.015 0.000 1.271 176 G HN 0.709 nan 8.290 nan 0.000 0.488 177 K N -0.394 120.067 120.400 0.103 0.000 2.588 177 K HA 0.448 4.893 4.320 0.208 0.000 0.250 177 K C 0.046 176.870 176.600 0.373 0.000 0.972 177 K CA -0.809 55.597 56.287 0.199 0.000 0.821 177 K CB 1.997 34.571 32.500 0.123 0.000 1.249 177 K HN 0.132 nan 8.250 nan 0.000 0.442 178 V N 3.621 123.697 119.914 0.270 0.000 2.529 178 V HA 0.020 4.265 4.120 0.208 0.000 0.292 178 V C 0.033 176.219 176.094 0.153 0.000 1.028 178 V CA -0.066 62.352 62.300 0.197 0.000 1.074 178 V CB 0.853 32.728 31.823 0.087 0.000 0.958 178 V HN 0.854 nan 8.190 nan 0.000 0.481 179 T N 8.828 123.455 114.554 0.123 0.000 2.656 179 T HA 0.013 4.488 4.350 0.208 0.000 0.263 179 T C -1.945 172.649 174.700 -0.177 0.000 1.017 179 T CA -0.467 61.589 62.100 -0.073 0.000 1.216 179 T CB -0.353 68.645 68.868 0.217 0.000 0.989 179 T HN 0.590 nan 8.240 nan 0.000 0.507 180 P HA 0.070 nan 4.420 nan 0.000 0.268 180 P C 1.030 178.205 177.300 -0.208 0.000 1.205 180 P CA -0.630 62.316 63.100 -0.256 0.000 0.771 180 P CB 0.705 32.215 31.700 -0.316 0.000 0.858 181 L N 5.079 126.203 121.223 -0.166 0.000 1.971 181 L HA -0.218 4.247 4.340 0.208 0.000 0.215 181 L C 2.345 179.133 176.870 -0.137 0.000 1.072 181 L CA 2.070 56.820 54.840 -0.149 0.000 0.758 181 L CB -1.345 40.627 42.059 -0.145 0.000 0.889 181 L HN 0.183 nan 8.230 nan 0.000 0.433 182 V N -1.352 118.494 119.914 -0.113 0.000 2.332 182 V HA -0.308 3.937 4.120 0.208 0.000 0.248 182 V C 2.448 178.462 176.094 -0.133 0.000 1.055 182 V CA 2.209 64.458 62.300 -0.085 0.000 1.038 182 V CB -1.258 30.630 31.823 0.108 0.000 0.651 182 V HN 0.526 nan 8.190 nan 0.000 0.450 183 T N -1.049 113.405 114.554 -0.167 0.000 2.777 183 T HA -0.201 4.274 4.350 0.208 0.000 0.266 183 T C 1.741 176.291 174.700 -0.250 0.000 1.040 183 T CA 1.938 63.917 62.100 -0.202 0.000 1.141 183 T CB -0.349 68.350 68.868 -0.281 0.000 0.868 183 T HN 0.611 nan 8.240 nan 0.000 0.444 184 Y N 1.627 121.723 120.300 -0.341 0.000 2.128 184 Y HA -0.212 4.462 4.550 0.205 0.000 0.284 184 Y C 2.256 177.980 175.900 -0.293 0.000 1.154 184 Y CA 1.520 59.411 58.100 -0.348 0.000 1.149 184 Y CB -0.396 37.903 38.460 -0.268 0.000 0.976 184 Y HN 0.153 nan 8.280 nan 0.000 0.505 185 M N -0.048 119.413 119.600 -0.230 0.000 2.065 185 M HA -0.265 4.340 4.480 0.208 0.000 0.259 185 M C 2.491 178.682 176.300 -0.181 0.000 1.071 185 M CA 2.034 57.089 55.300 -0.408 0.000 1.109 185 M CB -0.782 31.291 32.600 -0.879 0.000 1.313 185 M HN 0.412 nan 8.290 nan 0.000 0.408 186 A N -0.350 122.383 122.820 -0.145 0.000 2.076 186 A HA -0.070 4.375 4.320 0.208 0.000 0.220 186 A C 2.190 179.875 177.584 0.168 0.000 1.160 186 A CA 1.417 53.479 52.037 0.042 0.000 0.653 186 A CB -0.874 18.215 19.000 0.148 0.000 0.801 186 A HN 0.342 nan 8.150 nan 0.000 0.455 187 V N -0.031 119.788 119.914 -0.158 0.000 2.273 187 V HA -0.197 4.048 4.120 0.208 0.000 0.242 187 V C 2.714 178.671 176.094 -0.229 0.000 1.035 187 V CA 1.855 63.980 62.300 -0.292 0.000 1.013 187 V CB -0.872 30.431 31.823 -0.867 0.000 0.652 187 V HN 0.568 nan 8.190 nan 0.000 0.452 188 V N -1.775 117.923 119.914 -0.360 0.000 2.490 188 V HA -0.236 4.009 4.120 0.208 0.000 0.250 188 V C 2.098 178.219 176.094 0.044 0.000 1.061 188 V CA 1.807 63.990 62.300 -0.194 0.000 1.064 188 V CB -1.151 30.497 31.823 -0.291 0.000 0.670 188 V HN 0.387 nan 8.190 nan 0.000 0.461 189 F N 1.341 121.260 119.950 -0.051 0.000 2.001 189 F HA -0.087 4.565 4.527 0.209 0.000 0.301 189 F C 2.084 177.864 175.800 -0.033 0.000 1.293 189 F CA 1.934 59.878 58.000 -0.093 0.000 1.196 189 F CB -1.046 37.782 39.000 -0.287 0.000 0.944 189 F HN 0.202 nan 8.300 nan 0.000 0.525 190 W N 0.737 122.167 121.300 0.217 0.000 2.264 190 W HA -0.306 4.479 4.660 0.208 0.000 0.293 190 W C 2.314 178.863 176.519 0.050 0.000 1.225 190 W CA 1.170 58.603 57.345 0.146 0.000 1.220 190 W CB -1.150 28.422 29.460 0.186 0.000 1.134 190 W HN 0.211 nan 8.180 nan 0.000 0.544 191 L N -0.992 120.284 121.223 0.089 0.000 2.017 191 L HA -0.269 4.196 4.340 0.208 0.000 0.208 191 L C 2.733 179.741 176.870 0.229 0.000 1.073 191 L CA 1.132 55.904 54.840 -0.113 0.000 0.745 191 L CB -0.867 40.899 42.059 -0.488 0.000 0.894 191 L HN 0.091 nan 8.230 nan 0.000 0.432 192 M N -0.531 119.171 119.600 0.170 0.000 2.065 192 M HA -0.325 4.280 4.480 0.208 0.000 0.259 192 M C 2.296 178.705 176.300 0.182 0.000 1.071 192 M CA 2.089 57.494 55.300 0.175 0.000 1.109 192 M CB -0.893 31.755 32.600 0.080 0.000 1.313 192 M HN 0.479 nan 8.290 nan 0.000 0.408 193 W N 0.264 121.494 121.300 -0.115 0.000 2.313 193 W HA -0.344 4.440 4.660 0.207 0.000 0.293 193 W C 2.117 178.641 176.519 0.007 0.000 1.216 193 W CA 1.385 58.667 57.345 -0.105 0.000 1.223 193 W CB -0.581 28.813 29.460 -0.110 0.000 1.138 193 W HN 0.290 nan 8.180 nan 0.000 0.535 194 F N 0.803 120.643 119.950 -0.182 0.000 2.084 194 F HA -0.240 4.412 4.527 0.209 0.000 0.296 194 F C 2.223 177.867 175.800 -0.259 0.000 1.111 194 F CA 1.710 59.475 58.000 -0.391 0.000 1.224 194 F CB -1.016 37.800 39.000 -0.306 0.000 0.991 194 F HN -0.269 nan 8.300 nan 0.000 0.471 195 L N 1.010 122.215 121.223 -0.031 0.000 1.997 195 L HA -0.253 4.212 4.340 0.208 0.000 0.216 195 L C 2.736 179.551 176.870 -0.092 0.000 1.074 195 L CA 2.203 56.995 54.840 -0.081 0.000 0.763 195 L CB -1.738 40.357 42.059 0.061 0.000 0.890 195 L HN 0.310 nan 8.230 nan 0.000 0.434 196 A N -1.128 121.608 122.820 -0.140 0.000 1.902 196 A HA -0.206 4.239 4.320 0.208 0.000 0.217 196 A C 2.373 179.659 177.584 -0.496 0.000 1.181 196 A CA 1.956 53.927 52.037 -0.110 0.000 0.623 196 A CB -0.963 18.030 19.000 -0.011 0.000 0.818 196 A HN 0.589 nan 8.150 nan 0.000 0.443 197 S N -0.031 115.004 115.700 -1.108 0.000 2.500 197 S HA -0.048 4.547 4.470 0.208 0.000 0.239 197 S C 1.641 175.853 174.600 -0.646 0.000 0.989 197 S CA 1.223 58.754 58.200 -1.115 0.000 0.951 197 S CB -0.717 61.839 63.200 -1.073 0.000 0.759 197 S HN 0.457 nan 8.310 nan 0.000 0.523 198 L N 1.148 121.953 121.223 -0.696 0.000 2.141 198 L HA 0.038 4.503 4.340 0.208 0.000 0.209 198 L C 2.898 179.112 176.870 -1.094 0.000 1.094 198 L CA 1.110 55.486 54.840 -0.773 0.000 0.763 198 L CB -1.114 40.517 42.059 -0.714 0.000 0.908 198 L HN 0.515 nan 8.230 nan 0.000 0.437 199 G N 0.246 108.111 108.800 -1.559 0.000 2.464 199 G HA2 -0.274 3.811 3.960 0.208 0.000 0.214 199 G HA3 -0.274 3.811 3.960 0.208 0.000 0.214 199 G C 1.513 176.046 174.900 -0.611 0.000 1.218 199 G CA 0.732 44.984 45.100 -1.414 0.000 0.794 199 G HN 0.216 nan 8.290 nan 0.000 0.542 200 L N 0.786 121.736 121.223 -0.456 0.000 2.043 200 L HA -0.065 4.400 4.340 0.208 0.000 0.212 200 L C 2.851 179.606 176.870 -0.191 0.000 1.075 200 L CA 1.592 56.289 54.840 -0.238 0.000 0.752 200 L CB -0.579 41.357 42.059 -0.205 0.000 0.891 200 L HN 0.084 nan 8.230 nan 0.000 0.432 201 V N -0.596 119.144 119.914 -0.291 0.000 2.307 201 V HA -0.290 3.955 4.120 0.208 0.000 0.245 201 V C 2.562 178.531 176.094 -0.209 0.000 1.045 201 V CA 1.848 63.998 62.300 -0.251 0.000 1.024 201 V CB -0.416 31.227 31.823 -0.298 0.000 0.651 201 V HN 0.447 nan 8.190 nan 0.000 0.449 202 L N -0.037 121.024 121.223 -0.270 0.000 1.963 202 L HA -0.305 4.160 4.340 0.208 0.000 0.220 202 L C 2.692 179.565 176.870 0.006 0.000 1.076 202 L CA 2.528 57.269 54.840 -0.166 0.000 0.772 202 L CB -0.781 41.130 42.059 -0.247 0.000 0.892 202 L HN 0.444 nan 8.230 nan 0.000 0.435 203 E N 0.049 120.286 120.200 0.062 0.000 2.130 203 E HA -0.303 4.172 4.350 0.208 0.000 0.196 203 E C 2.051 178.790 176.600 0.232 0.000 0.998 203 E CA 1.487 58.043 56.400 0.261 0.000 0.806 203 E CB -0.004 29.820 29.700 0.205 0.000 0.738 203 E HN 0.511 nan 8.360 nan 0.000 0.459 204 A N 0.543 123.417 122.820 0.090 0.000 1.855 204 A HA -0.099 4.345 4.320 0.208 0.000 0.215 204 A C 2.417 179.995 177.584 -0.011 0.000 1.191 204 A CA 1.523 53.586 52.037 0.043 0.000 0.613 204 A CB -0.659 18.321 19.000 -0.033 0.000 0.829 204 A HN 0.206 nan 8.150 nan 0.000 0.442 205 V N 0.310 120.189 119.914 -0.059 0.000 2.221 205 V HA -0.226 4.019 4.120 0.208 0.000 0.242 205 V C 2.559 178.583 176.094 -0.116 0.000 1.041 205 V CA 1.818 64.061 62.300 -0.094 0.000 0.995 205 V CB -1.020 30.735 31.823 -0.113 0.000 0.635 205 V HN 0.549 nan 8.190 nan 0.000 0.448 206 L N -1.505 119.618 121.223 -0.167 0.000 2.051 206 L HA -0.228 4.237 4.340 0.208 0.000 0.214 206 L C 2.225 178.730 176.870 -0.607 0.000 1.076 206 L CA 2.126 56.701 54.840 -0.441 0.000 0.758 206 L CB -0.450 41.260 42.059 -0.583 0.000 0.890 206 L HN 0.357 nan 8.230 nan 0.000 0.433 207 F N -2.573 117.388 119.950 0.018 0.000 2.423 207 F HA 0.109 4.761 4.527 0.208 0.000 0.269 207 F C 2.040 177.866 175.800 0.043 0.000 0.880 207 F CA -0.281 57.729 58.000 0.016 0.000 1.134 207 F CB -0.485 38.499 39.000 -0.028 0.000 1.143 207 F HN -0.298 nan 8.300 nan 0.000 0.802 208 L N 0.537 121.903 121.223 0.237 0.000 2.043 208 L HA -0.235 4.230 4.340 0.208 0.000 0.212 208 L C 2.238 179.050 176.870 -0.096 0.000 1.075 208 L CA 1.534 56.424 54.840 0.083 0.000 0.752 208 L CB -0.771 41.329 42.059 0.068 0.000 0.891 208 L HN 0.235 nan 8.230 nan 0.000 0.432 209 L N -0.937 120.224 121.223 -0.104 0.000 1.988 209 L HA -0.105 4.360 4.340 0.208 0.000 0.207 209 L C -0.129 176.636 176.870 -0.174 0.000 1.071 209 L CA 1.139 55.818 54.840 -0.267 0.000 0.744 209 L CB -2.023 39.837 42.059 -0.332 0.000 0.893 209 L HN 0.150 nan 8.230 nan 0.000 0.433 210 P HA -0.279 nan 4.420 nan 0.000 0.214 210 P C 1.218 178.610 177.300 0.153 0.000 1.172 210 P CA 1.759 64.912 63.100 0.088 0.000 0.925 210 P CB -0.322 31.422 31.700 0.074 0.000 0.793 211 W N 1.174 122.459 121.300 -0.024 0.000 2.325 211 W HA -0.205 4.580 4.660 0.208 0.000 0.299 211 W C 2.384 178.890 176.519 -0.021 0.000 1.215 211 W CA 2.859 60.197 57.345 -0.012 0.000 1.244 211 W CB -1.034 28.423 29.460 -0.005 0.000 1.140 211 W HN 0.079 nan 8.180 nan 0.000 0.523 212 S N -2.022 113.567 115.700 -0.185 0.000 2.486 212 S HA -0.001 4.594 4.470 0.208 0.000 0.220 212 S C 1.939 176.557 174.600 0.030 0.000 1.011 212 S CA 0.263 58.282 58.200 -0.303 0.000 0.921 212 S CB -1.246 61.729 63.200 -0.375 0.000 0.785 212 S HN 0.346 nan 8.310 nan 0.000 0.517 213 F N 2.088 121.979 119.950 -0.098 0.000 2.365 213 F HA 0.159 4.810 4.527 0.208 0.000 0.300 213 F C 2.176 177.852 175.800 -0.207 0.000 1.090 213 F CA 0.474 58.368 58.000 -0.176 0.000 1.408 213 F CB 0.088 38.998 39.000 -0.150 0.000 1.060 213 F HN 0.566 nan 8.300 nan 0.000 0.534 214 G N -0.699 108.119 108.800 0.029 0.000 2.192 214 G HA2 -0.214 3.871 3.960 0.208 0.000 0.193 214 G HA3 -0.214 3.871 3.960 0.208 0.000 0.193 214 G C 0.545 175.448 174.900 0.004 0.000 0.999 214 G CA -0.132 44.946 45.100 -0.036 0.000 0.659 214 G HN 0.103 nan 8.290 nan 0.000 0.503 215 L N 0.914 122.172 121.223 0.058 0.000 2.599 215 L HA 0.438 4.903 4.340 0.208 0.000 0.230 215 L C 1.204 178.124 176.870 0.083 0.000 1.141 215 L CA 0.964 55.840 54.840 0.060 0.000 0.877 215 L CB -0.903 41.202 42.059 0.078 0.000 1.009 215 L HN 0.755 nan 8.230 nan 0.000 0.447 216 V N -6.020 113.970 119.914 0.127 0.000 3.242 216 V HA 0.452 4.697 4.120 0.208 0.000 0.298 216 V C 0.799 177.042 176.094 0.247 0.000 1.352 216 V CA -0.881 61.517 62.300 0.163 0.000 1.052 216 V CB 2.127 34.049 31.823 0.165 0.000 1.101 216 V HN -0.223 nan 8.190 nan 0.000 0.446 217 E N 1.308 121.639 120.200 0.218 0.000 2.122 217 E HA 0.260 4.735 4.350 0.208 0.000 0.190 217 E C 0.817 177.668 176.600 0.420 0.000 0.977 217 E CA 1.536 58.082 56.400 0.243 0.000 0.820 217 E CB 0.414 30.192 29.700 0.130 0.000 0.770 217 E HN 1.051 nan 8.360 nan 0.000 0.462 218 G N 0.094 109.050 108.800 0.261 0.000 2.667 218 G HA2 0.488 4.573 3.960 0.208 0.000 0.298 218 G HA3 0.488 4.573 3.960 0.208 0.000 0.298 218 G C -1.061 173.692 174.900 -0.245 0.000 1.377 218 G CA -0.529 44.559 45.100 -0.020 0.000 0.964 218 G HN -0.076 nan 8.290 nan 0.000 0.493 219 V N 1.476 121.008 119.914 -0.637 0.000 2.483 219 V HA 0.315 4.560 4.120 0.208 0.000 0.295 219 V C 0.034 175.912 176.094 -0.362 0.000 1.035 219 V CA -1.029 60.998 62.300 -0.455 0.000 0.896 219 V CB 1.734 33.167 31.823 -0.651 0.000 0.986 219 V HN 0.794 nan 8.190 nan 0.000 0.447 220 D N 6.301 126.519 120.400 -0.304 0.000 2.450 220 D HA 0.089 4.854 4.640 0.208 0.000 0.247 220 D C -1.775 174.335 176.300 -0.316 0.000 1.162 220 D CA -1.113 52.729 54.000 -0.263 0.000 0.879 220 D CB 2.129 42.776 40.800 -0.256 0.000 1.163 220 D HN 0.288 nan 8.370 nan 0.000 0.472 221 P HA 0.008 nan 4.420 nan 0.000 0.245 221 P C 1.360 178.571 177.300 -0.149 0.000 1.203 221 P CA -0.175 62.812 63.100 -0.190 0.000 0.792 221 P CB 0.401 32.024 31.700 -0.128 0.000 0.997 222 L N 0.671 121.809 121.223 -0.142 0.000 2.131 222 L HA -0.063 4.402 4.340 0.208 0.000 0.206 222 L C 2.219 179.031 176.870 -0.097 0.000 1.087 222 L CA 1.390 56.172 54.840 -0.097 0.000 0.767 222 L CB -1.188 40.822 42.059 -0.083 0.000 0.917 222 L HN -0.132 nan 8.230 nan 0.000 0.441 223 V N -2.486 117.299 119.914 -0.215 0.000 2.255 223 V HA -0.074 4.171 4.120 0.208 0.000 0.243 223 V C 2.570 178.529 176.094 -0.226 0.000 1.038 223 V CA 1.292 63.438 62.300 -0.256 0.000 1.008 223 V CB -1.977 29.523 31.823 -0.538 0.000 0.645 223 V HN 0.333 nan 8.190 nan 0.000 0.449 224 A N 2.139 124.726 122.820 -0.388 0.000 2.001 224 A HA -0.348 4.097 4.320 0.208 0.000 0.224 224 A C 2.485 180.080 177.584 0.018 0.000 1.203 224 A CA 3.381 55.266 52.037 -0.253 0.000 0.667 224 A CB -0.776 18.077 19.000 -0.245 0.000 0.823 224 A HN 0.861 nan 8.150 nan 0.000 0.473 225 R N -2.326 118.218 120.500 0.073 0.000 2.237 225 R HA 0.063 4.528 4.340 0.208 0.000 0.195 225 R C 1.490 178.017 176.300 0.378 0.000 0.956 225 R CA 1.307 57.551 56.100 0.241 0.000 1.029 225 R CB -0.766 29.655 30.300 0.202 0.000 0.972 225 R HN 0.307 nan 8.270 nan 0.000 0.493 226 T N 1.842 116.582 114.554 0.311 0.000 2.951 226 T HA 0.093 4.568 4.350 0.208 0.000 0.268 226 T C 1.872 176.838 174.700 0.444 0.000 1.073 226 T CA 0.692 63.078 62.100 0.477 0.000 1.134 226 T CB -0.005 69.136 68.868 0.455 0.000 0.884 226 T HN 0.092 nan 8.240 nan 0.000 0.479 227 L N -0.043 121.343 121.223 0.271 0.000 2.027 227 L HA 0.013 4.478 4.340 0.208 0.000 0.206 227 L C 2.268 179.185 176.870 0.078 0.000 1.074 227 L CA 1.403 56.337 54.840 0.157 0.000 0.745 227 L CB -0.594 41.530 42.059 0.109 0.000 0.898 227 L HN 0.220 nan 8.230 nan 0.000 0.433 228 F N -0.088 119.836 119.950 -0.043 0.000 2.115 228 F HA -0.299 4.353 4.527 0.209 0.000 0.300 228 F C 1.969 177.580 175.800 -0.315 0.000 1.092 228 F CA 1.839 59.698 58.000 -0.236 0.000 1.245 228 F CB -0.363 38.399 39.000 -0.397 0.000 0.995 228 F HN 0.018 nan 8.300 nan 0.000 0.481 229 W N -0.902 120.529 121.300 0.220 0.000 2.905 229 W HA -0.079 4.706 4.660 0.208 0.000 0.251 229 W C 2.177 178.750 176.519 0.090 0.000 1.305 229 W CA 0.246 57.672 57.345 0.134 0.000 1.465 229 W CB -0.531 29.110 29.460 0.301 0.000 1.122 229 W HN 0.251 nan 8.180 nan 0.000 0.659 230 W N 1.390 122.617 121.300 -0.121 0.000 2.304 230 W HA -0.262 4.522 4.660 0.207 0.000 0.328 230 W C 1.738 178.093 176.519 -0.273 0.000 1.242 230 W CA 2.736 59.741 57.345 -0.566 0.000 1.243 230 W CB -1.223 27.765 29.460 -0.787 0.000 1.170 230 W HN -0.277 nan 8.180 nan 0.000 0.460 231 T N 0.602 115.188 114.554 0.054 0.000 2.674 231 T HA -0.111 4.364 4.350 0.208 0.000 0.265 231 T C 1.894 176.546 174.700 -0.080 0.000 1.039 231 T CA 2.410 64.458 62.100 -0.087 0.000 1.150 231 T CB -1.197 67.473 68.868 -0.329 0.000 0.864 231 T HN 0.325 nan 8.240 nan 0.000 0.427 232 G N -0.243 108.330 108.800 -0.378 0.000 2.498 232 G HA2 -0.215 3.869 3.960 0.208 0.000 0.219 232 G HA3 -0.215 3.869 3.960 0.208 0.000 0.219 232 G C 1.109 176.072 174.900 0.105 0.000 1.119 232 G CA 1.110 45.893 45.100 -0.528 0.000 0.766 232 G HN 0.638 nan 8.290 nan 0.000 0.552 233 H N 1.426 120.651 119.070 0.259 0.000 2.281 233 H HA 0.020 4.701 4.556 0.208 0.000 0.310 233 H C 0.107 175.547 175.328 0.187 0.000 1.052 233 H CA 1.457 57.657 56.048 0.253 0.000 1.331 233 H CB -0.340 29.609 29.762 0.310 0.000 1.419 233 H HN 0.092 nan 8.280 nan 0.000 0.518 234 P HA -0.248 nan 4.420 nan 0.000 0.221 234 P C 1.675 179.082 177.300 0.180 0.000 1.153 234 P CA 1.740 65.143 63.100 0.504 0.000 0.858 234 P CB -0.215 31.689 31.700 0.341 0.000 0.783 235 I N -0.320 120.227 120.570 -0.040 0.000 2.264 235 I HA -0.233 4.062 4.170 0.208 0.000 0.248 235 I C 2.204 177.616 176.117 -1.174 0.000 1.111 235 I CA 1.301 62.321 61.300 -0.466 0.000 1.382 235 I CB -0.218 37.571 38.000 -0.351 0.000 1.060 235 I HN -0.134 nan 8.210 nan 0.000 0.418 236 V N -1.284 117.867 119.914 -1.271 0.000 2.427 236 V HA -0.281 3.964 4.120 0.208 0.000 0.248 236 V C 2.229 177.799 176.094 -0.874 0.000 1.051 236 V CA 1.430 62.834 62.300 -1.493 0.000 1.048 236 V CB -1.483 29.678 31.823 -1.104 0.000 0.666 236 V HN 0.413 nan 8.190 nan 0.000 0.456 237 Y N 0.577 120.640 120.300 -0.395 0.000 2.242 237 Y HA -0.027 4.647 4.550 0.207 0.000 0.291 237 Y C 2.309 178.083 175.900 -0.209 0.000 1.137 237 Y CA 1.973 59.889 58.100 -0.306 0.000 1.181 237 Y CB -0.867 37.462 38.460 -0.218 0.000 0.989 237 Y HN 0.418 nan 8.280 nan 0.000 0.527 238 F N -0.747 119.018 119.950 -0.309 0.000 2.407 238 F HA -0.112 4.540 4.527 0.208 0.000 0.299 238 F C 1.299 177.050 175.800 -0.081 0.000 1.097 238 F CA 0.496 58.301 58.000 -0.325 0.000 1.422 238 F CB -0.479 38.060 39.000 -0.768 0.000 1.067 238 F HN 0.002 nan 8.300 nan 0.000 0.539 239 W N 0.201 121.478 121.300 -0.038 0.000 2.436 239 W HA -0.014 4.769 4.660 0.206 0.000 0.284 239 W C 2.073 178.451 176.519 -0.235 0.000 1.225 239 W CA 0.573 57.805 57.345 -0.190 0.000 1.271 239 W CB -1.393 27.989 29.460 -0.130 0.000 1.114 239 W HN 0.180 nan 8.180 nan 0.000 0.559 240 L N -0.272 120.901 121.223 -0.083 0.000 2.249 240 L HA 0.053 4.518 4.340 0.208 0.000 0.207 240 L C 2.044 178.721 176.870 -0.321 0.000 1.090 240 L CA 1.228 55.923 54.840 -0.241 0.000 0.802 240 L CB -0.721 41.091 42.059 -0.411 0.000 0.947 240 L HN -0.252 nan 8.230 nan 0.000 0.453 241 L N 0.209 121.291 121.223 -0.235 0.000 2.109 241 L HA 0.020 4.484 4.340 0.208 0.000 0.207 241 L C -0.533 176.275 176.870 -0.104 0.000 1.086 241 L CA 1.603 56.330 54.840 -0.188 0.000 0.760 241 L CB -1.754 40.293 42.059 -0.020 0.000 0.910 241 L HN 0.194 nan 8.230 nan 0.000 0.437 242 P HA -0.169 nan 4.420 nan 0.000 0.216 242 P C 1.488 178.848 177.300 0.099 0.000 1.150 242 P CA 1.762 64.723 63.100 -0.231 0.000 0.837 242 P CB -0.031 31.495 31.700 -0.290 0.000 0.786 243 A N -1.928 120.995 122.820 0.171 0.000 2.015 243 A HA -0.189 4.256 4.320 0.208 0.000 0.219 243 A C 2.131 179.885 177.584 0.282 0.000 1.163 243 A CA 1.174 53.330 52.037 0.199 0.000 0.646 243 A CB -1.729 17.305 19.000 0.057 0.000 0.806 243 A HN 0.205 nan 8.150 nan 0.000 0.448 244 Y N -0.400 119.956 120.300 0.093 0.000 2.133 244 Y HA -0.142 4.532 4.550 0.207 0.000 0.287 244 Y C 2.997 179.131 175.900 0.390 0.000 1.134 244 Y CA 0.337 58.577 58.100 0.232 0.000 1.133 244 Y CB -0.296 38.385 38.460 0.368 0.000 0.987 244 Y HN 0.401 nan 8.280 nan 0.000 0.502 245 A N 1.384 124.535 122.820 0.551 0.000 1.870 245 A HA -0.321 4.123 4.320 0.208 0.000 0.219 245 A C 2.058 179.721 177.584 0.131 0.000 1.286 245 A CA 2.563 54.723 52.037 0.205 0.000 0.682 245 A CB -1.409 17.604 19.000 0.021 0.000 0.844 245 A HN 0.502 nan 8.150 nan 0.000 0.460 246 I N -0.793 119.850 120.570 0.122 0.000 2.143 246 I HA -0.345 3.950 4.170 0.208 0.000 0.245 246 I C 2.471 178.621 176.117 0.056 0.000 1.068 246 I CA 2.120 63.487 61.300 0.111 0.000 1.326 246 I CB -0.637 37.524 38.000 0.268 0.000 1.028 246 I HN 0.381 nan 8.210 nan 0.000 0.412 247 I N -0.546 120.066 120.570 0.071 0.000 2.163 247 I HA -0.294 4.001 4.170 0.208 0.000 0.240 247 I C 2.562 178.643 176.117 -0.061 0.000 1.081 247 I CA 1.621 62.890 61.300 -0.052 0.000 1.353 247 I CB -0.440 37.462 38.000 -0.164 0.000 1.054 247 I HN 0.067 nan 8.210 nan 0.000 0.407 248 Y N 0.715 121.004 120.300 -0.018 0.000 2.114 248 Y HA -0.295 4.380 4.550 0.208 0.000 0.282 248 Y C 2.462 178.340 175.900 -0.037 0.000 1.165 248 Y CA 1.775 59.865 58.100 -0.016 0.000 1.148 248 Y CB -0.204 38.278 38.460 0.037 0.000 0.972 248 Y HN 0.283 nan 8.280 nan 0.000 0.504 249 T N -3.850 110.765 114.554 0.102 0.000 3.182 249 T HA 0.343 4.818 4.350 0.208 0.000 0.277 249 T C 0.717 175.332 174.700 -0.143 0.000 1.013 249 T CA -0.086 62.022 62.100 0.014 0.000 0.900 249 T CB -0.155 68.738 68.868 0.041 0.000 1.098 249 T HN 0.257 nan 8.240 nan 0.000 0.543 250 I N -1.009 119.447 120.570 -0.190 0.000 3.859 250 I HA 0.240 4.535 4.170 0.208 0.000 0.266 250 I C 1.741 177.715 176.117 -0.239 0.000 1.132 250 I CA -0.234 60.852 61.300 -0.358 0.000 1.361 250 I CB 0.038 37.657 38.000 -0.634 0.000 1.690 250 I HN 0.090 nan 8.210 nan 0.000 0.424 251 L N 3.285 124.418 121.223 -0.149 0.000 2.030 251 L HA -0.196 4.269 4.340 0.208 0.000 0.222 251 L C -0.874 175.988 176.870 -0.013 0.000 1.082 251 L CA 2.794 57.593 54.840 -0.069 0.000 0.785 251 L CB -1.405 40.610 42.059 -0.074 0.000 0.895 251 L HN 0.113 nan 8.230 nan 0.000 0.439 252 P HA -0.162 nan 4.420 nan 0.000 0.221 252 P C 1.320 178.628 177.300 0.013 0.000 1.150 252 P CA 1.504 64.624 63.100 0.034 0.000 0.800 252 P CB -0.044 31.686 31.700 0.050 0.000 0.787 253 K N 0.956 121.338 120.400 -0.030 0.000 2.057 253 K HA -0.170 4.275 4.320 0.208 0.000 0.206 253 K C 2.095 178.653 176.600 -0.070 0.000 1.050 253 K CA 1.309 57.565 56.287 -0.052 0.000 0.935 253 K CB -0.576 31.882 32.500 -0.071 0.000 0.715 253 K HN 0.077 nan 8.250 nan 0.000 0.439 254 Q N -0.132 119.618 119.800 -0.084 0.000 2.297 254 Q HA -0.129 4.336 4.340 0.208 0.000 0.208 254 Q C 1.832 177.801 176.000 -0.051 0.000 0.981 254 Q CA 1.409 57.181 55.803 -0.053 0.000 0.876 254 Q CB -0.311 28.418 28.738 -0.015 0.000 0.921 254 Q HN 0.418 nan 8.270 nan 0.000 0.446 255 A N 0.822 123.639 122.820 -0.006 0.000 2.169 255 A HA 0.341 4.786 4.320 0.208 0.000 0.212 255 A C 1.715 179.205 177.584 -0.157 0.000 1.153 255 A CA 0.974 52.968 52.037 -0.073 0.000 0.756 255 A CB -0.119 18.959 19.000 0.129 0.000 0.813 255 A HN 0.603 nan 8.150 nan 0.000 0.471 256 G N -3.120 105.614 108.800 -0.110 0.000 2.184 256 G HA2 0.153 4.238 3.960 0.208 0.000 0.206 256 G HA3 0.153 4.238 3.960 0.208 0.000 0.206 256 G C 0.577 175.421 174.900 -0.092 0.000 0.995 256 G CA 0.099 45.132 45.100 -0.112 0.000 0.651 256 G HN 1.495 nan 8.290 nan 0.000 0.511 257 G N -0.953 107.820 108.800 -0.046 0.000 3.086 257 G HA2 0.737 4.821 3.960 0.208 0.000 0.282 257 G HA3 0.737 4.821 3.960 0.208 0.000 0.282 257 G C -0.862 174.080 174.900 0.071 0.000 1.343 257 G CA -0.925 44.171 45.100 -0.006 0.000 0.895 257 G HN 0.382 nan 8.290 nan 0.000 0.557 258 R N -0.637 119.975 120.500 0.185 0.000 2.670 258 R HA 0.450 4.915 4.340 0.208 0.000 0.289 258 R C -0.805 175.583 176.300 0.146 0.000 0.965 258 R CA -0.782 55.417 56.100 0.164 0.000 0.899 258 R CB 2.294 32.716 30.300 0.203 0.000 1.173 258 R HN 0.442 nan 8.270 nan 0.000 0.456 259 L N 3.568 124.844 121.223 0.088 0.000 2.490 259 L HA -0.004 4.461 4.340 0.208 0.000 0.274 259 L C 0.905 177.798 176.870 0.039 0.000 1.201 259 L CA 0.383 55.269 54.840 0.077 0.000 0.869 259 L CB 1.171 43.277 42.059 0.079 0.000 1.123 259 L HN 0.661 nan 8.230 nan 0.000 0.484 260 V N 1.040 120.966 119.914 0.021 0.000 3.623 260 V HA 0.357 4.602 4.120 0.208 0.000 0.271 260 V C 0.661 176.742 176.094 -0.021 0.000 1.248 260 V CA 0.744 63.016 62.300 -0.046 0.000 1.156 260 V CB -0.613 31.151 31.823 -0.098 0.000 0.870 260 V HN 0.823 nan 8.190 nan 0.000 0.453 261 S N -0.325 115.380 115.700 0.008 0.000 2.511 261 S HA 0.220 4.814 4.470 0.208 0.000 0.283 261 S C 0.081 174.659 174.600 -0.037 0.000 1.078 261 S CA -0.178 58.016 58.200 -0.010 0.000 0.994 261 S CB 1.436 64.643 63.200 0.011 0.000 1.171 261 S HN 0.621 nan 8.310 nan 0.000 0.444 262 D N 4.779 125.139 120.400 -0.065 0.000 2.078 262 D HA -0.005 4.760 4.640 0.208 0.000 0.193 262 D C -0.556 175.658 176.300 -0.143 0.000 0.990 262 D CA 1.710 55.644 54.000 -0.111 0.000 0.827 262 D CB -0.119 40.620 40.800 -0.102 0.000 0.975 262 D HN 0.435 nan 8.370 nan 0.000 0.451 263 P HA -0.214 nan 4.420 nan 0.000 0.213 263 P C 1.690 178.918 177.300 -0.120 0.000 1.170 263 P CA 1.335 64.360 63.100 -0.124 0.000 0.902 263 P CB -0.177 31.474 31.700 -0.083 0.000 0.789 264 M N -0.347 119.209 119.600 -0.074 0.000 2.103 264 M HA -0.191 4.414 4.480 0.208 0.000 0.255 264 M C 2.297 178.542 176.300 -0.092 0.000 1.074 264 M CA 2.302 57.580 55.300 -0.037 0.000 1.090 264 M CB -2.108 30.518 32.600 0.045 0.000 1.325 264 M HN -0.029 nan 8.290 nan 0.000 0.403 265 A N -0.362 122.311 122.820 -0.244 0.000 1.929 265 A HA -0.131 4.314 4.320 0.208 0.000 0.216 265 A C 2.280 179.696 177.584 -0.280 0.000 1.176 265 A CA 1.340 53.015 52.037 -0.604 0.000 0.628 265 A CB -0.480 17.955 19.000 -0.942 0.000 0.816 265 A HN 0.479 nan 8.150 nan 0.000 0.444 266 R N -0.914 119.450 120.500 -0.227 0.000 2.073 266 R HA -0.109 4.356 4.340 0.208 0.000 0.234 266 R C 2.099 178.393 176.300 -0.010 0.000 1.134 266 R CA 1.402 57.422 56.100 -0.133 0.000 0.952 266 R CB -0.669 29.354 30.300 -0.462 0.000 0.850 266 R HN 0.473 nan 8.270 nan 0.000 0.433 267 L N 1.003 122.175 121.223 -0.085 0.000 1.990 267 L HA -0.214 4.251 4.340 0.208 0.000 0.213 267 L C 2.236 179.060 176.870 -0.077 0.000 1.072 267 L CA 2.261 57.046 54.840 -0.092 0.000 0.755 267 L CB -0.864 41.141 42.059 -0.089 0.000 0.889 267 L HN 0.195 nan 8.230 nan 0.000 0.432 268 A N -1.183 121.629 122.820 -0.012 0.000 1.877 268 A HA -0.211 4.234 4.320 0.208 0.000 0.216 268 A C 2.158 179.663 177.584 -0.132 0.000 1.186 268 A CA 1.939 53.937 52.037 -0.065 0.000 0.620 268 A CB -1.143 17.971 19.000 0.189 0.000 0.822 268 A HN 0.470 nan 8.150 nan 0.000 0.443 269 F N -0.560 119.385 119.950 -0.007 0.000 2.069 269 F HA -0.178 4.476 4.527 0.212 0.000 0.298 269 F C 2.104 177.907 175.800 0.004 0.000 1.113 269 F CA 1.605 59.678 58.000 0.121 0.000 1.214 269 F CB -0.806 38.286 39.000 0.153 0.000 0.978 269 F HN 0.253 nan 8.300 nan 0.000 0.474 270 L N 0.447 121.749 121.223 0.131 0.000 2.011 270 L HA -0.296 4.169 4.340 0.208 0.000 0.225 270 L C 2.180 178.936 176.870 -0.190 0.000 1.084 270 L CA 1.959 56.745 54.840 -0.091 0.000 0.791 270 L CB -1.100 40.806 42.059 -0.256 0.000 0.898 270 L HN 0.179 nan 8.230 nan 0.000 0.440 271 L N -1.535 119.523 121.223 -0.275 0.000 2.129 271 L HA -0.258 4.207 4.340 0.208 0.000 0.212 271 L C 2.413 179.097 176.870 -0.310 0.000 1.087 271 L CA 1.586 56.224 54.840 -0.335 0.000 0.757 271 L CB -0.679 41.127 42.059 -0.422 0.000 0.896 271 L HN 0.294 nan 8.230 nan 0.000 0.434 272 F N -0.863 119.032 119.950 -0.092 0.000 2.748 272 F HA -0.113 4.538 4.527 0.207 0.000 0.299 272 F C 2.057 177.800 175.800 -0.094 0.000 1.154 272 F CA 0.081 57.996 58.000 -0.142 0.000 1.446 272 F CB 0.040 38.934 39.000 -0.177 0.000 1.112 272 F HN 0.053 nan 8.300 nan 0.000 0.584 273 L N -0.800 120.463 121.223 0.066 0.000 2.477 273 L HA 0.072 4.537 4.340 0.208 0.000 0.220 273 L C 1.427 178.317 176.870 0.032 0.000 1.106 273 L CA 1.017 55.901 54.840 0.074 0.000 0.851 273 L CB -0.037 42.078 42.059 0.094 0.000 0.994 273 L HN -0.012 nan 8.230 nan 0.000 0.462 274 L N -1.143 120.064 121.223 -0.026 0.000 2.253 274 L HA 0.162 4.627 4.340 0.208 0.000 0.205 274 L C 1.452 178.286 176.870 -0.059 0.000 1.078 274 L CA 1.308 56.126 54.840 -0.037 0.000 0.805 274 L CB -0.091 41.931 42.059 -0.062 0.000 0.963 274 L HN 0.154 nan 8.230 nan 0.000 0.459 275 L N -2.501 118.681 121.223 -0.069 0.000 3.016 275 L HA 0.239 4.704 4.340 0.208 0.000 0.267 275 L C 1.709 178.488 176.870 -0.152 0.000 1.182 275 L CA 0.089 54.876 54.840 -0.087 0.000 0.997 275 L CB 0.358 42.392 42.059 -0.041 0.000 1.354 275 L HN -0.094 nan 8.230 nan 0.000 0.569 276 S N -0.775 114.840 115.700 -0.142 0.000 2.489 276 S HA -0.033 4.562 4.470 0.208 0.000 0.228 276 S C 1.743 176.272 174.600 -0.118 0.000 0.995 276 S CA 1.416 59.486 58.200 -0.217 0.000 0.934 276 S CB 0.126 63.280 63.200 -0.076 0.000 0.771 276 S HN 0.425 nan 8.310 nan 0.000 0.522 277 T N 1.466 115.943 114.554 -0.128 0.000 3.038 277 T HA 0.099 4.574 4.350 0.208 0.000 0.244 277 T C -1.816 172.761 174.700 -0.206 0.000 1.016 277 T CA 0.079 62.102 62.100 -0.128 0.000 1.098 277 T CB -0.557 68.225 68.868 -0.143 0.000 0.954 277 T HN 0.254 nan 8.240 nan 0.000 0.469 278 P HA 0.214 nan 4.420 nan 0.000 0.254 278 P C 0.427 177.316 177.300 -0.686 0.000 1.631 278 P CA 0.324 63.174 63.100 -0.417 0.000 0.861 278 P CB -0.522 30.954 31.700 -0.373 0.000 1.663 279 V N -5.305 114.315 119.914 -0.491 0.000 3.382 279 V HA 0.429 4.674 4.120 0.208 0.000 0.296 279 V C 1.598 177.414 176.094 -0.464 0.000 1.529 279 V CA 0.630 62.633 62.300 -0.495 0.000 1.048 279 V CB -0.239 31.366 31.823 -0.362 0.000 0.878 279 V HN 0.098 nan 8.190 nan 0.000 0.442 280 G N -0.162 108.464 108.800 -0.290 0.000 3.295 280 G HA2 0.139 4.224 3.960 0.208 0.000 0.231 280 G HA3 0.139 4.224 3.960 0.208 0.000 0.231 280 G C 0.770 175.611 174.900 -0.099 0.000 1.277 280 G CA 0.239 45.224 45.100 -0.192 0.000 1.013 280 G HN 0.562 nan 8.290 nan 0.000 0.509 281 F N -0.122 119.691 119.950 -0.228 0.000 2.743 281 F HA 0.042 4.695 4.527 0.209 0.000 0.297 281 F C 2.611 177.951 175.800 -0.766 0.000 1.131 281 F CA 0.130 57.881 58.000 -0.415 0.000 1.426 281 F CB 0.078 38.739 39.000 -0.565 0.000 1.116 281 F HN 0.473 nan 8.300 nan 0.000 0.583 282 H N -0.793 117.865 119.070 -0.686 0.000 2.390 282 H HA -0.203 4.477 4.556 0.208 0.000 0.298 282 H C 1.176 175.688 175.328 -1.360 0.000 1.106 282 H CA 1.642 56.679 56.048 -1.685 0.000 1.297 282 H CB -0.944 28.358 29.762 -0.766 0.000 1.375 282 H HN 0.378 nan 8.280 nan 0.000 0.509 283 H N 0.797 119.503 119.070 -0.607 0.000 2.567 283 H HA 0.036 4.717 4.556 0.208 0.000 0.276 283 H C 0.762 175.772 175.328 -0.530 0.000 1.016 283 H CA 0.864 56.487 56.048 -0.709 0.000 1.186 283 H CB 0.358 29.127 29.762 -1.655 0.000 1.351 283 H HN 0.681 nan 8.280 nan 0.000 0.605 284 Q N -0.920 118.651 119.800 -0.381 0.000 2.064 284 Q HA 0.106 4.571 4.340 0.208 0.000 0.213 284 Q C 1.013 176.928 176.000 -0.143 0.000 0.779 284 Q CA -0.259 55.432 55.803 -0.186 0.000 1.032 284 Q CB 0.514 29.219 28.738 -0.054 0.000 1.203 284 Q HN 0.379 nan 8.270 nan 0.000 0.457 285 F N 0.728 120.524 119.950 -0.258 0.000 2.287 285 F HA -0.215 4.437 4.527 0.208 0.000 0.301 285 F C 1.762 177.533 175.800 -0.049 0.000 1.069 285 F CA 0.799 58.658 58.000 -0.236 0.000 1.372 285 F CB 0.280 39.065 39.000 -0.358 0.000 1.056 285 F HN 0.160 nan 8.300 nan 0.000 0.523 286 A N -1.069 121.766 122.820 0.026 0.000 2.538 286 A HA 0.167 4.612 4.320 0.208 0.000 0.269 286 A C -0.269 177.377 177.584 0.103 0.000 1.231 286 A CA -0.376 51.759 52.037 0.162 0.000 0.948 286 A CB -0.266 18.831 19.000 0.161 0.000 1.110 286 A HN 0.002 nan 8.150 nan 0.000 0.529 287 D N 1.958 122.379 120.400 0.035 0.000 2.344 287 D HA 0.425 5.190 4.640 0.208 0.000 0.244 287 D C -2.187 174.114 176.300 0.001 0.000 1.134 287 D CA -0.687 53.315 54.000 0.003 0.000 0.930 287 D CB 0.798 41.572 40.800 -0.043 0.000 1.175 287 D HN 0.228 nan 8.370 nan 0.000 0.437 288 P HA 0.299 nan 4.420 nan 0.000 0.283 288 P C 0.332 177.603 177.300 -0.048 0.000 1.271 288 P CA -0.650 62.438 63.100 -0.021 0.000 0.841 288 P CB 1.055 32.744 31.700 -0.019 0.000 1.122 289 G N 0.166 108.939 108.800 -0.045 0.000 2.203 289 G HA2 -0.224 3.861 3.960 0.208 0.000 0.263 289 G HA3 -0.224 3.861 3.960 0.208 0.000 0.263 289 G C -0.140 174.705 174.900 -0.091 0.000 1.012 289 G CA 0.102 45.166 45.100 -0.059 0.000 0.749 289 G HN 0.521 nan 8.290 nan 0.000 0.512 290 I N 0.402 120.904 120.570 -0.113 0.000 2.499 290 I HA 0.222 4.516 4.170 0.208 0.000 0.288 290 I C -0.377 175.662 176.117 -0.129 0.000 1.048 290 I CA -0.896 60.281 61.300 -0.206 0.000 1.062 290 I CB 1.767 39.510 38.000 -0.429 0.000 1.238 290 I HN 0.102 nan 8.210 nan 0.000 0.426 291 D N 9.112 129.490 120.400 -0.037 0.000 2.371 291 D HA 0.081 4.846 4.640 0.208 0.000 0.256 291 D C -1.552 174.766 176.300 0.030 0.000 1.193 291 D CA -1.366 52.659 54.000 0.041 0.000 0.881 291 D CB 1.720 42.589 40.800 0.115 0.000 1.143 291 D HN 0.229 nan 8.370 nan 0.000 0.473 292 P HA -0.198 nan 4.420 nan 0.000 0.219 292 P C 1.250 178.625 177.300 0.123 0.000 1.151 292 P CA 1.331 64.537 63.100 0.176 0.000 0.850 292 P CB 0.139 31.935 31.700 0.161 0.000 0.784 293 T N -2.370 112.177 114.554 -0.011 0.000 2.812 293 T HA -0.108 4.367 4.350 0.208 0.000 0.264 293 T C 1.513 176.143 174.700 -0.117 0.000 1.042 293 T CA 1.061 63.099 62.100 -0.103 0.000 1.140 293 T CB -0.747 67.972 68.868 -0.249 0.000 0.870 293 T HN 0.197 nan 8.240 nan 0.000 0.445 294 W N 1.812 123.098 121.300 -0.023 0.000 2.332 294 W HA -0.126 4.659 4.660 0.208 0.000 0.321 294 W C 2.480 178.955 176.519 -0.075 0.000 1.219 294 W CA 0.770 58.104 57.345 -0.019 0.000 1.277 294 W CB -0.206 29.240 29.460 -0.024 0.000 1.161 294 W HN 0.175 nan 8.180 nan 0.000 0.476 295 K N -0.601 119.802 120.400 0.005 0.000 2.052 295 K HA -0.312 4.133 4.320 0.208 0.000 0.215 295 K C 1.921 178.308 176.600 -0.355 0.000 1.053 295 K CA 2.298 58.453 56.287 -0.221 0.000 0.934 295 K CB -0.679 31.503 32.500 -0.531 0.000 0.717 295 K HN 0.064 nan 8.250 nan 0.000 0.450 296 M N 1.008 120.448 119.600 -0.266 0.000 2.159 296 M HA -0.085 4.520 4.480 0.208 0.000 0.263 296 M C 1.729 178.068 176.300 0.066 0.000 1.063 296 M CA 1.486 56.776 55.300 -0.016 0.000 1.110 296 M CB -0.126 32.612 32.600 0.231 0.000 1.374 296 M HN 0.142 nan 8.290 nan 0.000 0.411 297 I N -0.741 119.907 120.570 0.131 0.000 2.179 297 I HA -0.323 3.972 4.170 0.208 0.000 0.242 297 I C 2.100 178.366 176.117 0.250 0.000 1.088 297 I CA 1.241 62.663 61.300 0.202 0.000 1.357 297 I CB -0.614 37.559 38.000 0.288 0.000 1.051 297 I HN 0.323 nan 8.210 nan 0.000 0.409 298 H N -0.581 118.547 119.070 0.096 0.000 2.389 298 H HA -0.126 4.555 4.556 0.208 0.000 0.299 298 H C 2.491 177.874 175.328 0.092 0.000 1.081 298 H CA 1.376 57.441 56.048 0.027 0.000 1.345 298 H CB -0.555 29.184 29.762 -0.039 0.000 1.393 298 H HN 0.185 nan 8.280 nan 0.000 0.520 299 S N -0.209 115.666 115.700 0.291 0.000 2.359 299 S HA -0.183 4.412 4.470 0.208 0.000 0.223 299 S C 2.327 176.960 174.600 0.056 0.000 1.039 299 S CA 1.633 59.969 58.200 0.227 0.000 1.042 299 S CB -0.586 62.647 63.200 0.054 0.000 0.915 299 S HN 0.182 nan 8.310 nan 0.000 0.439 300 V N 2.476 122.385 119.914 -0.008 0.000 2.237 300 V HA -0.178 4.067 4.120 0.208 0.000 0.245 300 V C 2.457 178.361 176.094 -0.316 0.000 1.046 300 V CA 2.120 64.304 62.300 -0.195 0.000 1.007 300 V CB -0.941 30.782 31.823 -0.167 0.000 0.638 300 V HN 0.498 nan 8.190 nan 0.000 0.445 301 L N 0.026 121.194 121.223 -0.090 0.000 2.011 301 L HA -0.335 4.130 4.340 0.208 0.000 0.225 301 L C 2.647 179.501 176.870 -0.026 0.000 1.084 301 L CA 2.495 57.334 54.840 -0.001 0.000 0.791 301 L CB -1.605 40.425 42.059 -0.047 0.000 0.898 301 L HN 0.412 nan 8.230 nan 0.000 0.440 302 T N 0.385 114.939 114.554 0.001 0.000 2.685 302 T HA -0.240 4.235 4.350 0.208 0.000 0.268 302 T C 1.905 176.626 174.700 0.034 0.000 1.034 302 T CA 1.720 63.862 62.100 0.069 0.000 1.149 302 T CB -0.510 68.472 68.868 0.190 0.000 0.860 302 T HN 0.201 nan 8.240 nan 0.000 0.449 303 L N -0.206 120.975 121.223 -0.070 0.000 1.990 303 L HA -0.090 4.375 4.340 0.208 0.000 0.213 303 L C 2.408 179.248 176.870 -0.050 0.000 1.072 303 L CA 1.707 56.481 54.840 -0.111 0.000 0.755 303 L CB -0.841 41.082 42.059 -0.226 0.000 0.889 303 L HN 0.245 nan 8.230 nan 0.000 0.432 304 F N -1.323 118.652 119.950 0.042 0.000 2.154 304 F HA -0.249 4.403 4.527 0.208 0.000 0.301 304 F C 2.512 178.327 175.800 0.025 0.000 1.087 304 F CA 0.898 58.911 58.000 0.021 0.000 1.274 304 F CB -0.487 38.510 39.000 -0.006 0.000 1.009 304 F HN -0.126 nan 8.300 nan 0.000 0.485 305 V N -0.071 119.953 119.914 0.182 0.000 2.970 305 V HA -0.118 4.127 4.120 0.208 0.000 0.260 305 V C 2.159 178.403 176.094 0.250 0.000 1.100 305 V CA 1.357 63.748 62.300 0.150 0.000 1.122 305 V CB -0.394 31.448 31.823 0.031 0.000 0.721 305 V HN 0.306 nan 8.190 nan 0.000 0.483 306 A N -0.868 122.091 122.820 0.232 0.000 2.168 306 A HA -0.027 4.418 4.320 0.208 0.000 0.215 306 A C 2.179 179.916 177.584 0.255 0.000 1.152 306 A CA 1.404 53.599 52.037 0.264 0.000 0.716 306 A CB -0.247 18.865 19.000 0.186 0.000 0.794 306 A HN 0.395 nan 8.150 nan 0.000 0.465 307 V N 1.034 121.071 119.914 0.205 0.000 2.244 307 V HA -0.128 4.116 4.120 0.208 0.000 0.244 307 V C -0.135 176.042 176.094 0.139 0.000 1.042 307 V CA 2.244 64.640 62.300 0.159 0.000 1.006 307 V CB -1.552 30.355 31.823 0.140 0.000 0.641 307 V HN 0.343 nan 8.190 nan 0.000 0.446 308 P HA -0.202 nan 4.420 nan 0.000 0.217 308 P C 1.983 179.453 177.300 0.284 0.000 1.158 308 P CA 2.098 65.173 63.100 -0.041 0.000 0.887 308 P CB -0.177 31.098 31.700 -0.709 0.000 0.792 309 S N -1.243 114.774 115.700 0.528 0.000 2.419 309 S HA -0.084 4.511 4.470 0.208 0.000 0.233 309 S C 1.799 176.660 174.600 0.435 0.000 1.016 309 S CA 0.947 59.543 58.200 0.660 0.000 0.974 309 S CB -0.840 62.818 63.200 0.763 0.000 0.786 309 S HN 0.033 nan 8.310 nan 0.000 0.492 310 L N 0.311 121.721 121.223 0.312 0.000 2.049 310 L HA 0.113 4.578 4.340 0.208 0.000 0.203 310 L C 2.427 179.430 176.870 0.222 0.000 1.074 310 L CA 1.061 56.046 54.840 0.242 0.000 0.749 310 L CB -0.567 41.605 42.059 0.189 0.000 0.907 310 L HN 0.229 nan 8.230 nan 0.000 0.439 311 M N -0.550 119.166 119.600 0.192 0.000 2.143 311 M HA -0.279 4.326 4.480 0.208 0.000 0.258 311 M C 2.252 178.694 176.300 0.236 0.000 1.071 311 M CA 1.938 57.345 55.300 0.179 0.000 1.088 311 M CB -0.516 32.164 32.600 0.133 0.000 1.360 311 M HN 0.328 nan 8.290 nan 0.000 0.404 312 T N 0.317 115.017 114.554 0.244 0.000 2.674 312 T HA -0.159 4.316 4.350 0.208 0.000 0.265 312 T C 1.753 176.475 174.700 0.037 0.000 1.039 312 T CA 1.574 63.744 62.100 0.117 0.000 1.150 312 T CB -0.474 68.380 68.868 -0.023 0.000 0.864 312 T HN 0.576 nan 8.240 nan 0.000 0.427 313 A N 1.305 124.199 122.820 0.124 0.000 1.906 313 A HA -0.256 4.189 4.320 0.208 0.000 0.222 313 A C 2.018 179.692 177.584 0.151 0.000 1.282 313 A CA 2.447 54.571 52.037 0.144 0.000 0.675 313 A CB -1.349 17.774 19.000 0.205 0.000 0.838 313 A HN 0.515 nan 8.150 nan 0.000 0.469 314 F N 1.068 121.049 119.950 0.052 0.000 2.113 314 F HA -0.137 4.514 4.527 0.208 0.000 0.297 314 F C 2.688 178.495 175.800 0.012 0.000 1.103 314 F CA 2.393 60.411 58.000 0.030 0.000 1.248 314 F CB -0.678 38.342 39.000 0.033 0.000 0.999 314 F HN 0.276 nan 8.300 nan 0.000 0.475 315 T N -0.234 114.489 114.554 0.282 0.000 2.708 315 T HA -0.182 4.293 4.350 0.208 0.000 0.266 315 T C 2.156 176.873 174.700 0.027 0.000 1.037 315 T CA 1.695 63.919 62.100 0.206 0.000 1.146 315 T CB -0.933 68.124 68.868 0.316 0.000 0.865 315 T HN 0.135 nan 8.240 nan 0.000 0.435 316 V N 1.747 121.624 119.914 -0.062 0.000 2.358 316 V HA -0.117 4.128 4.120 0.208 0.000 0.246 316 V C 2.957 178.996 176.094 -0.091 0.000 1.047 316 V CA 1.614 63.832 62.300 -0.137 0.000 1.035 316 V CB -1.221 30.430 31.823 -0.288 0.000 0.658 316 V HN 0.564 nan 8.190 nan 0.000 0.452 317 A N -0.225 122.534 122.820 -0.102 0.000 1.969 317 A HA -0.026 4.419 4.320 0.208 0.000 0.218 317 A C 2.362 179.773 177.584 -0.289 0.000 1.169 317 A CA 1.878 53.851 52.037 -0.106 0.000 0.635 317 A CB -0.565 18.388 19.000 -0.079 0.000 0.810 317 A HN 0.550 nan 8.150 nan 0.000 0.445 318 A N -0.266 122.322 122.820 -0.387 0.000 1.897 318 A HA 0.028 4.473 4.320 0.208 0.000 0.215 318 A C 2.410 179.868 177.584 -0.210 0.000 1.181 318 A CA 1.747 53.509 52.037 -0.459 0.000 0.620 318 A CB -0.795 17.861 19.000 -0.574 0.000 0.821 318 A HN 0.479 nan 8.150 nan 0.000 0.443 319 S N 0.844 116.492 115.700 -0.087 0.000 2.365 319 S HA -0.204 4.391 4.470 0.208 0.000 0.221 319 S C 1.826 176.476 174.600 0.083 0.000 1.037 319 S CA 1.710 59.938 58.200 0.046 0.000 1.060 319 S CB -0.865 62.367 63.200 0.053 0.000 0.974 319 S HN 0.487 nan 8.310 nan 0.000 0.427 320 L N 1.517 122.787 121.223 0.079 0.000 2.089 320 L HA -0.235 4.230 4.340 0.208 0.000 0.213 320 L C 2.789 179.819 176.870 0.266 0.000 1.079 320 L CA 1.858 56.827 54.840 0.215 0.000 0.758 320 L CB -0.741 41.514 42.059 0.326 0.000 0.891 320 L HN 0.477 nan 8.230 nan 0.000 0.433 321 E N 0.583 120.698 120.200 -0.141 0.000 2.031 321 E HA -0.294 4.181 4.350 0.208 0.000 0.193 321 E C 2.198 178.745 176.600 -0.088 0.000 0.994 321 E CA 1.552 57.633 56.400 -0.532 0.000 0.800 321 E CB -0.357 28.633 29.700 -1.184 0.000 0.752 321 E HN 0.375 nan 8.360 nan 0.000 0.447 322 F N 1.189 121.029 119.950 -0.183 0.000 2.065 322 F HA -0.258 4.393 4.527 0.207 0.000 0.298 322 F C 2.185 177.977 175.800 -0.013 0.000 1.112 322 F CA 1.980 59.925 58.000 -0.093 0.000 1.212 322 F CB -0.535 38.411 39.000 -0.091 0.000 0.975 322 F HN 0.184 nan 8.300 nan 0.000 0.476 323 A N 0.789 123.511 122.820 -0.164 0.000 1.869 323 A HA -0.218 4.227 4.320 0.208 0.000 0.218 323 A C 2.510 180.035 177.584 -0.099 0.000 1.203 323 A CA 2.244 54.168 52.037 -0.189 0.000 0.638 323 A CB -1.980 16.994 19.000 -0.043 0.000 0.831 323 A HN 0.596 nan 8.150 nan 0.000 0.450 324 G N -0.698 108.157 108.800 0.091 0.000 2.606 324 G HA2 -0.341 3.744 3.960 0.208 0.000 0.221 324 G HA3 -0.341 3.744 3.960 0.208 0.000 0.221 324 G C 1.752 176.714 174.900 0.103 0.000 1.152 324 G CA 1.259 46.478 45.100 0.198 0.000 0.765 324 G HN 0.617 nan 8.290 nan 0.000 0.595 325 R N -0.853 119.668 120.500 0.035 0.000 2.075 325 R HA 0.107 4.572 4.340 0.208 0.000 0.226 325 R C 2.525 178.754 176.300 -0.117 0.000 1.114 325 R CA 0.484 56.574 56.100 -0.017 0.000 0.972 325 R CB -0.629 29.665 30.300 -0.010 0.000 0.869 325 R HN 0.264 nan 8.270 nan 0.000 0.437 326 L N 1.658 122.715 121.223 -0.278 0.000 1.963 326 L HA -0.226 4.239 4.340 0.208 0.000 0.220 326 L C 1.454 178.238 176.870 -0.143 0.000 1.076 326 L CA 1.839 56.512 54.840 -0.279 0.000 0.772 326 L CB -0.657 41.141 42.059 -0.435 0.000 0.892 326 L HN 0.149 nan 8.230 nan 0.000 0.435 327 R N 0.124 120.556 120.500 -0.114 0.000 4.160 327 R HA 0.282 4.747 4.340 0.208 0.000 0.216 327 R C 0.945 177.225 176.300 -0.034 0.000 2.009 327 R CA 0.582 56.639 56.100 -0.071 0.000 1.664 327 R CB -1.263 28.990 30.300 -0.078 0.000 1.216 327 R HN 0.443 nan 8.270 nan 0.000 0.648 328 G N 0.489 109.270 108.800 -0.031 0.000 2.283 328 G HA2 -0.292 3.793 3.960 0.208 0.000 0.280 328 G HA3 -0.292 3.793 3.960 0.208 0.000 0.280 328 G C 0.467 175.380 174.900 0.021 0.000 1.029 328 G CA 0.035 45.131 45.100 -0.006 0.000 0.840 328 G HN 0.668 nan 8.290 nan 0.000 0.505 329 G N -1.116 107.712 108.800 0.046 0.000 2.527 329 G HA2 0.631 4.716 3.960 0.208 0.000 0.248 329 G HA3 0.631 4.716 3.960 0.208 0.000 0.248 329 G C 0.770 175.730 174.900 0.100 0.000 1.231 329 G CA 0.430 45.588 45.100 0.097 0.000 0.838 329 G HN 1.016 nan 8.290 nan 0.000 0.570 330 R N 0.103 120.671 120.500 0.112 0.000 2.570 330 R HA 0.200 4.665 4.340 0.208 0.000 0.203 330 R C 0.941 177.291 176.300 0.083 0.000 0.968 330 R CA 0.063 56.213 56.100 0.082 0.000 1.514 330 R CB -0.784 29.548 30.300 0.053 0.000 1.719 330 R HN 0.761 nan 8.270 nan 0.000 0.503 331 G N 1.096 109.957 108.800 0.102 0.000 2.510 331 G HA2 0.381 4.466 3.960 0.208 0.000 0.280 331 G HA3 0.381 4.466 3.960 0.208 0.000 0.280 331 G C 0.543 175.484 174.900 0.068 0.000 1.386 331 G CA -0.269 44.882 45.100 0.085 0.000 1.047 331 G HN 0.100 nan 8.290 nan 0.000 0.527 332 L N -1.647 119.547 121.223 -0.048 0.000 2.265 332 L HA 0.184 4.649 4.340 0.208 0.000 0.215 332 L C 1.367 177.938 176.870 -0.498 0.000 1.117 332 L CA 1.802 56.460 54.840 -0.304 0.000 0.782 332 L CB -0.224 41.533 42.059 -0.503 0.000 0.914 332 L HN 0.407 nan 8.230 nan 0.000 0.441 333 F N -1.792 118.269 119.950 0.184 0.000 2.798 333 F HA 0.426 5.077 4.527 0.208 0.000 0.328 333 F C 2.128 177.836 175.800 -0.154 0.000 1.098 333 F CA 0.059 58.030 58.000 -0.049 0.000 1.172 333 F CB -0.861 38.093 39.000 -0.076 0.000 1.072 333 F HN -0.047 nan 8.300 nan 0.000 0.555 334 G N 2.737 111.612 108.800 0.124 0.000 2.732 334 G HA2 -0.364 3.721 3.960 0.208 0.000 0.222 334 G HA3 -0.364 3.721 3.960 0.208 0.000 0.222 334 G C 1.559 176.507 174.900 0.080 0.000 1.203 334 G CA 1.574 46.735 45.100 0.102 0.000 0.780 334 G HN 0.613 nan 8.290 nan 0.000 0.621 335 W N 0.939 122.277 121.300 0.063 0.000 2.341 335 W HA -0.041 4.743 4.660 0.207 0.000 0.283 335 W C 1.976 178.568 176.519 0.121 0.000 1.215 335 W CA 1.006 58.385 57.345 0.057 0.000 1.211 335 W CB -1.078 28.399 29.460 0.029 0.000 1.131 335 W HN 0.318 nan 8.180 nan 0.000 0.552 336 I N 1.013 121.192 120.570 -0.652 0.000 2.233 336 I HA -0.191 4.103 4.170 0.208 0.000 0.243 336 I C 2.692 178.862 176.117 0.088 0.000 1.093 336 I CA 1.573 62.594 61.300 -0.466 0.000 1.380 336 I CB -0.665 37.001 38.000 -0.557 0.000 1.067 336 I HN -0.121 nan 8.210 nan 0.000 0.413 337 R N 1.508 122.037 120.500 0.049 0.000 2.323 337 R HA 0.076 4.541 4.340 0.208 0.000 0.198 337 R C 1.768 178.175 176.300 0.178 0.000 0.988 337 R CA 0.951 57.140 56.100 0.148 0.000 1.041 337 R CB -0.251 30.056 30.300 0.013 0.000 0.926 337 R HN 0.343 nan 8.270 nan 0.000 0.476 338 A N 0.177 123.057 122.820 0.101 0.000 1.935 338 A HA 0.165 4.610 4.320 0.208 0.000 0.214 338 A C 0.302 177.865 177.584 -0.036 0.000 1.178 338 A CA 0.016 52.077 52.037 0.040 0.000 0.640 338 A CB -0.194 18.827 19.000 0.035 0.000 0.825 338 A HN 0.166 nan 8.150 nan 0.000 0.447 339 L N -0.016 121.154 121.223 -0.088 0.000 2.535 339 L HA 0.020 4.485 4.340 0.208 0.000 0.301 339 L C -2.157 174.374 176.870 -0.564 0.000 1.275 339 L CA -0.598 53.988 54.840 -0.422 0.000 0.843 339 L CB -0.725 41.024 42.059 -0.516 0.000 1.094 339 L HN 0.151 nan 8.230 nan 0.000 0.532 340 P HA 0.084 nan 4.420 nan 0.000 0.214 340 P C 0.332 177.367 177.300 -0.442 0.000 1.849 340 P CA -0.294 62.475 63.100 -0.551 0.000 1.022 340 P CB -0.319 31.092 31.700 -0.480 0.000 1.912 341 W N 1.520 122.749 121.300 -0.119 0.000 2.596 341 W HA -0.168 4.619 4.660 0.210 0.000 0.255 341 W C 0.757 177.355 176.519 0.132 0.000 1.232 341 W CA 0.943 58.355 57.345 0.112 0.000 1.230 341 W CB -0.571 28.966 29.460 0.129 0.000 1.141 341 W HN 0.294 nan 8.180 nan 0.000 0.628 342 D N -2.094 118.421 120.400 0.192 0.000 2.363 342 D HA 0.002 4.767 4.640 0.208 0.000 0.214 342 D C -0.024 176.318 176.300 0.070 0.000 1.093 342 D CA -0.038 54.045 54.000 0.138 0.000 0.837 342 D CB -0.456 40.393 40.800 0.081 0.000 0.948 342 D HN -0.108 nan 8.370 nan 0.000 0.507 343 N N 0.755 119.489 118.700 0.056 0.000 2.446 343 N HA 0.260 5.125 4.740 0.208 0.000 0.265 343 N C -2.068 173.466 175.510 0.041 0.000 0.975 343 N CA -2.272 50.794 53.050 0.027 0.000 0.928 343 N CB 2.320 40.815 38.487 0.013 0.000 1.160 343 N HN -0.275 nan 8.380 nan 0.000 0.495 344 P HA -0.088 nan 4.420 nan 0.000 0.218 344 P C 0.780 178.074 177.300 -0.009 0.000 1.148 344 P CA 1.199 64.163 63.100 -0.226 0.000 0.822 344 P CB 0.283 31.435 31.700 -0.914 0.000 0.784 345 A N -1.659 121.239 122.820 0.130 0.000 1.978 345 A HA -0.206 4.239 4.320 0.208 0.000 0.220 345 A C 2.039 179.745 177.584 0.204 0.000 1.170 345 A CA 1.572 53.800 52.037 0.317 0.000 0.636 345 A CB -1.596 17.669 19.000 0.441 0.000 0.810 345 A HN 0.240 nan 8.150 nan 0.000 0.448 346 F N -0.574 119.356 119.950 -0.035 0.000 2.343 346 F HA 0.069 4.721 4.527 0.207 0.000 0.286 346 F C 2.118 177.789 175.800 -0.215 0.000 1.057 346 F CA 1.151 59.067 58.000 -0.140 0.000 1.365 346 F CB -0.105 38.765 39.000 -0.216 0.000 1.114 346 F HN -0.031 nan 8.300 nan 0.000 0.545 347 V N 1.379 121.271 119.914 -0.037 0.000 2.287 347 V HA -0.328 3.916 4.120 0.208 0.000 0.248 347 V C 2.770 178.657 176.094 -0.345 0.000 1.053 347 V CA 1.849 64.040 62.300 -0.183 0.000 1.027 347 V CB -1.667 30.217 31.823 0.102 0.000 0.646 347 V HN 0.515 nan 8.190 nan 0.000 0.447 348 A N 1.372 124.059 122.820 -0.222 0.000 1.852 348 A HA -0.201 4.244 4.320 0.208 0.000 0.217 348 A C 0.804 178.252 177.584 -0.227 0.000 1.215 348 A CA 2.567 54.488 52.037 -0.193 0.000 0.641 348 A CB -2.188 16.766 19.000 -0.077 0.000 0.838 348 A HN 0.573 nan 8.150 nan 0.000 0.450 349 P HA -0.037 nan 4.420 nan 0.000 0.223 349 P C 1.421 178.542 177.300 -0.299 0.000 1.151 349 P CA 1.215 64.190 63.100 -0.209 0.000 0.787 349 P CB -0.113 31.494 31.700 -0.155 0.000 0.788 350 V N -0.320 119.307 119.914 -0.478 0.000 2.871 350 V HA -0.110 4.135 4.120 0.208 0.000 0.256 350 V C 2.627 178.513 176.094 -0.346 0.000 1.082 350 V CA 1.087 63.096 62.300 -0.485 0.000 1.105 350 V CB -0.856 30.431 31.823 -0.893 0.000 0.713 350 V HN 0.013 nan 8.190 nan 0.000 0.473 351 L N -0.052 120.907 121.223 -0.440 0.000 2.095 351 L HA 0.031 4.496 4.340 0.208 0.000 0.204 351 L C 2.645 179.313 176.870 -0.337 0.000 1.080 351 L CA 1.576 55.999 54.840 -0.695 0.000 0.759 351 L CB -1.029 40.396 42.059 -1.057 0.000 0.914 351 L HN 0.427 nan 8.230 nan 0.000 0.439 352 G N 0.075 108.795 108.800 -0.134 0.000 2.469 352 G HA2 -0.254 3.831 3.960 0.208 0.000 0.220 352 G HA3 -0.254 3.831 3.960 0.208 0.000 0.220 352 G C 1.633 176.581 174.900 0.080 0.000 1.136 352 G CA 0.680 45.810 45.100 0.050 0.000 0.759 352 G HN 0.229 nan 8.290 nan 0.000 0.562 353 L N -0.580 120.630 121.223 -0.022 0.000 2.141 353 L HA 0.020 4.484 4.340 0.208 0.000 0.209 353 L C 2.682 179.656 176.870 0.173 0.000 1.094 353 L CA 0.025 54.885 54.840 0.033 0.000 0.763 353 L CB -0.191 41.835 42.059 -0.055 0.000 0.908 353 L HN 0.136 nan 8.230 nan 0.000 0.437 354 L N -0.175 121.122 121.223 0.125 0.000 1.973 354 L HA -0.062 4.403 4.340 0.208 0.000 0.208 354 L C 2.410 179.451 176.870 0.286 0.000 1.073 354 L CA 2.083 57.033 54.840 0.184 0.000 0.746 354 L CB -1.715 40.402 42.059 0.098 0.000 0.891 354 L HN 0.189 nan 8.230 nan 0.000 0.433 355 G N -2.203 106.843 108.800 0.411 0.000 2.843 355 G HA2 -0.269 3.816 3.960 0.208 0.000 0.205 355 G HA3 -0.269 3.816 3.960 0.208 0.000 0.205 355 G C 1.305 176.385 174.900 0.299 0.000 1.160 355 G CA 0.067 45.352 45.100 0.309 0.000 0.819 355 G HN 0.250 nan 8.290 nan 0.000 0.516 356 F N 0.650 120.684 119.950 0.139 0.000 2.219 356 F HA 0.210 4.863 4.527 0.210 0.000 0.294 356 F C 2.432 178.309 175.800 0.128 0.000 1.086 356 F CA -0.031 58.046 58.000 0.129 0.000 1.330 356 F CB -0.093 38.989 39.000 0.136 0.000 1.047 356 F HN 0.102 nan 8.300 nan 0.000 0.495 357 I N 1.263 121.959 120.570 0.210 0.000 2.068 357 I HA -0.322 3.973 4.170 0.208 0.000 0.238 357 I C -0.390 175.751 176.117 0.039 0.000 1.046 357 I CA 1.837 63.205 61.300 0.114 0.000 1.306 357 I CB -1.925 36.159 38.000 0.139 0.000 1.023 357 I HN 0.094 nan 8.210 nan 0.000 0.399 358 P HA -0.097 nan 4.420 nan 0.000 0.220 358 P C 1.570 178.843 177.300 -0.045 0.000 1.148 358 P CA 1.733 64.808 63.100 -0.041 0.000 0.803 358 P CB -0.335 31.299 31.700 -0.109 0.000 0.782 359 G N 0.152 108.930 108.800 -0.035 0.000 2.422 359 G HA2 -0.170 3.915 3.960 0.208 0.000 0.218 359 G HA3 -0.170 3.915 3.960 0.208 0.000 0.218 359 G C 1.771 176.669 174.900 -0.005 0.000 1.146 359 G CA 0.869 45.956 45.100 -0.021 0.000 0.769 359 G HN 0.384 nan 8.290 nan 0.000 0.547 360 G N 0.977 109.667 108.800 -0.183 0.000 2.394 360 G HA2 0.122 4.207 3.960 0.208 0.000 0.214 360 G HA3 0.122 4.207 3.960 0.208 0.000 0.214 360 G C 2.028 176.930 174.900 0.003 0.000 1.176 360 G CA 1.293 46.306 45.100 -0.145 0.000 0.786 360 G HN 0.584 nan 8.290 nan 0.000 0.533 361 A N 0.842 123.674 122.820 0.020 0.000 2.070 361 A HA 0.165 4.610 4.320 0.208 0.000 0.220 361 A C 2.567 180.221 177.584 0.118 0.000 1.159 361 A CA 1.982 54.057 52.037 0.063 0.000 0.656 361 A CB -0.810 18.225 19.000 0.059 0.000 0.800 361 A HN 0.481 nan 8.150 nan 0.000 0.453 362 G N -0.293 108.583 108.800 0.128 0.000 2.434 362 G HA2 0.036 4.121 3.960 0.208 0.000 0.214 362 G HA3 0.036 4.121 3.960 0.208 0.000 0.214 362 G C 1.583 176.465 174.900 -0.032 0.000 1.202 362 G CA 1.134 46.341 45.100 0.179 0.000 0.788 362 G HN 0.668 nan 8.290 nan 0.000 0.539 363 G N 1.144 109.804 108.800 -0.233 0.000 2.469 363 G HA2 -0.217 3.868 3.960 0.208 0.000 0.219 363 G HA3 -0.217 3.868 3.960 0.208 0.000 0.219 363 G C 1.754 176.578 174.900 -0.128 0.000 1.150 363 G CA 0.981 45.854 45.100 -0.380 0.000 0.763 363 G HN 0.455 nan 8.290 nan 0.000 0.561 364 I N 0.205 120.765 120.570 -0.015 0.000 2.315 364 I HA -0.112 4.183 4.170 0.208 0.000 0.248 364 I C 2.672 178.801 176.117 0.020 0.000 1.117 364 I CA 0.233 61.543 61.300 0.018 0.000 1.404 364 I CB -0.590 37.436 38.000 0.043 0.000 1.071 364 I HN 0.034 nan 8.210 nan 0.000 0.419 365 V N 1.682 121.623 119.914 0.046 0.000 2.231 365 V HA -0.325 3.920 4.120 0.208 0.000 0.239 365 V C 2.148 178.241 176.094 -0.003 0.000 1.035 365 V CA 2.340 64.660 62.300 0.033 0.000 0.989 365 V CB -0.904 30.982 31.823 0.104 0.000 0.636 365 V HN 0.419 nan 8.190 nan 0.000 0.457 366 N N 0.643 119.347 118.700 0.007 0.000 2.268 366 N HA -0.313 4.552 4.740 0.208 0.000 0.180 366 N C 1.465 176.994 175.510 0.032 0.000 0.826 366 N CA 2.387 55.423 53.050 -0.023 0.000 0.913 366 N CB -0.861 37.545 38.487 -0.135 0.000 1.033 366 N HN 0.617 nan 8.380 nan 0.000 0.919 367 A N -0.785 122.041 122.820 0.011 0.000 2.238 367 A HA 0.161 4.606 4.320 0.208 0.000 0.208 367 A C 1.378 179.094 177.584 0.219 0.000 1.177 367 A CA 0.351 52.469 52.037 0.137 0.000 0.804 367 A CB 0.001 19.007 19.000 0.010 0.000 0.823 367 A HN 0.208 nan 8.150 nan 0.000 0.482 368 S N -0.248 115.498 115.700 0.077 0.000 2.767 368 S HA 0.348 4.943 4.470 0.208 0.000 0.253 368 S C 0.393 174.920 174.600 -0.122 0.000 1.082 368 S CA -0.209 57.986 58.200 -0.010 0.000 1.148 368 S CB -1.265 61.919 63.200 -0.027 0.000 0.808 368 S HN 0.597 nan 8.310 nan 0.000 0.466 369 F N 1.361 120.868 119.950 -0.739 0.000 2.318 369 F HA -0.493 4.159 4.527 0.209 0.000 0.488 369 F C 2.348 177.589 175.800 -0.931 0.000 1.250 369 F CA 1.917 58.995 58.000 -1.536 0.000 1.705 369 F CB -1.486 36.965 39.000 -0.914 0.000 1.037 369 F HN 0.411 nan 8.300 nan 0.000 0.224 370 T N 0.434 114.749 114.554 -0.398 0.000 2.714 370 T HA -0.261 4.213 4.350 0.208 0.000 0.268 370 T C 1.312 175.946 174.700 -0.110 0.000 1.036 370 T CA 2.087 64.076 62.100 -0.185 0.000 1.148 370 T CB -0.692 68.058 68.868 -0.197 0.000 0.856 370 T HN 0.353 nan 8.240 nan 0.000 0.462 371 L N 1.800 122.929 121.223 -0.157 0.000 2.275 371 L HA 0.101 4.566 4.340 0.208 0.000 0.215 371 L C 2.303 179.075 176.870 -0.163 0.000 1.119 371 L CA 1.286 56.049 54.840 -0.127 0.000 0.790 371 L CB -1.161 40.828 42.059 -0.116 0.000 0.919 371 L HN 0.313 nan 8.230 nan 0.000 0.443 372 D N -1.041 119.219 120.400 -0.233 0.000 2.144 372 D HA -0.240 4.525 4.640 0.208 0.000 0.199 372 D C 2.031 178.243 176.300 -0.147 0.000 0.984 372 D CA 1.193 55.089 54.000 -0.174 0.000 0.834 372 D CB -0.107 40.676 40.800 -0.027 0.000 0.955 372 D HN 0.449 nan 8.370 nan 0.000 0.465 373 Y N -0.686 119.635 120.300 0.035 0.000 2.538 373 Y HA -0.099 4.576 4.550 0.209 0.000 0.287 373 Y C 2.165 178.058 175.900 -0.011 0.000 1.157 373 Y CA -0.042 58.077 58.100 0.032 0.000 1.338 373 Y CB -0.193 38.261 38.460 -0.011 0.000 0.970 373 Y HN -0.046 nan 8.280 nan 0.000 0.564 374 V N -0.621 119.311 119.914 0.029 0.000 3.406 374 V HA -0.088 4.157 4.120 0.208 0.000 0.263 374 V C 1.514 177.529 176.094 -0.131 0.000 1.172 374 V CA 1.323 63.588 62.300 -0.058 0.000 1.140 374 V CB 0.438 32.185 31.823 -0.127 0.000 0.784 374 V HN 0.468 nan 8.190 nan 0.000 0.467 375 V N -4.330 115.503 119.914 -0.136 0.000 3.264 375 V HA 0.372 4.617 4.120 0.208 0.000 0.262 375 V C 0.884 177.002 176.094 0.041 0.000 1.616 375 V CA -0.082 62.109 62.300 -0.183 0.000 1.033 375 V CB -0.599 30.810 31.823 -0.690 0.000 0.865 375 V HN 0.460 nan 8.190 nan 0.000 0.420 376 H N 3.414 122.479 119.070 -0.008 0.000 3.177 376 H HA 0.063 4.744 4.556 0.208 0.000 0.313 376 H C 0.857 176.250 175.328 0.109 0.000 0.983 376 H CA 1.750 57.837 56.048 0.065 0.000 1.358 376 H CB -0.067 29.732 29.762 0.062 0.000 1.294 376 H HN 0.559 nan 8.280 nan 0.000 0.587 377 N N 2.010 120.503 118.700 -0.345 0.000 2.707 377 N HA -0.222 4.643 4.740 0.208 0.000 0.253 377 N C -0.667 174.840 175.510 -0.005 0.000 0.998 377 N CA 1.461 54.395 53.050 -0.193 0.000 0.751 377 N CB -1.304 36.971 38.487 -0.353 0.000 0.920 377 N HN 0.823 nan 8.380 nan 0.000 0.539 378 T N -5.690 108.918 114.554 0.089 0.000 2.924 378 T HA 0.765 5.240 4.350 0.208 0.000 0.291 378 T C 1.419 176.199 174.700 0.133 0.000 1.045 378 T CA -0.302 61.864 62.100 0.110 0.000 1.015 378 T CB 2.100 71.046 68.868 0.130 0.000 1.103 378 T HN 0.095 nan 8.240 nan 0.000 0.496 379 A N 1.084 123.964 122.820 0.100 0.000 2.082 379 A HA -0.183 4.262 4.320 0.208 0.000 0.224 379 A C 1.915 179.474 177.584 -0.042 0.000 1.179 379 A CA 2.201 54.236 52.037 -0.002 0.000 0.670 379 A CB -1.594 17.420 19.000 0.023 0.000 0.817 379 A HN 0.960 nan 8.150 nan 0.000 0.475 380 W N 0.677 121.897 121.300 -0.135 0.000 2.290 380 W HA -0.280 4.505 4.660 0.208 0.000 0.318 380 W C 1.811 178.150 176.519 -0.300 0.000 1.248 380 W CA 2.665 59.860 57.345 -0.251 0.000 1.263 380 W CB -0.659 28.729 29.460 -0.120 0.000 1.147 380 W HN 0.247 nan 8.180 nan 0.000 0.494 381 V N 1.885 121.875 119.914 0.126 0.000 2.237 381 V HA -0.262 3.983 4.120 0.208 0.000 0.245 381 V C -0.444 175.551 176.094 -0.166 0.000 1.046 381 V CA 2.797 65.196 62.300 0.165 0.000 1.007 381 V CB -2.241 29.811 31.823 0.381 0.000 0.638 381 V HN -0.017 nan 8.190 nan 0.000 0.445 382 P HA -0.144 nan 4.420 nan 0.000 0.216 382 P C 1.717 178.549 177.300 -0.778 0.000 1.150 382 P CA 1.894 64.279 63.100 -1.192 0.000 0.843 382 P CB -0.404 30.935 31.700 -0.601 0.000 0.787 383 G N 0.018 108.476 108.800 -0.571 0.000 2.719 383 G HA2 -0.392 3.693 3.960 0.208 0.000 0.219 383 G HA3 -0.392 3.693 3.960 0.208 0.000 0.219 383 G C 1.518 176.231 174.900 -0.311 0.000 1.234 383 G CA 1.993 46.781 45.100 -0.521 0.000 0.788 383 G HN 0.352 nan 8.290 nan 0.000 0.619 384 H N 1.069 119.819 119.070 -0.533 0.000 2.319 384 H HA -0.122 4.559 4.556 0.208 0.000 0.299 384 H C 2.133 177.464 175.328 0.005 0.000 1.092 384 H CA 2.287 58.228 56.048 -0.179 0.000 1.302 384 H CB -0.558 29.121 29.762 -0.139 0.000 1.373 384 H HN 0.506 nan 8.280 nan 0.000 0.497 385 F N -1.207 118.654 119.950 -0.148 0.000 2.569 385 F HA 0.189 4.841 4.527 0.208 0.000 0.295 385 F C 1.706 177.418 175.800 -0.146 0.000 1.115 385 F CA 0.489 58.345 58.000 -0.240 0.000 1.450 385 F CB -0.963 38.004 39.000 -0.055 0.000 1.107 385 F HN 0.138 nan 8.300 nan 0.000 0.563 386 H N 0.689 119.669 119.070 -0.150 0.000 2.423 386 H HA 0.036 4.717 4.556 0.209 0.000 0.297 386 H C 2.144 177.491 175.328 0.033 0.000 1.075 386 H CA 1.958 57.995 56.048 -0.019 0.000 1.342 386 H CB -0.309 29.355 29.762 -0.163 0.000 1.395 386 H HN 0.307 nan 8.280 nan 0.000 0.530 387 L N -0.003 121.279 121.223 0.098 0.000 2.201 387 L HA -0.189 4.276 4.340 0.208 0.000 0.212 387 L C 1.976 178.974 176.870 0.214 0.000 1.105 387 L CA 0.825 55.738 54.840 0.122 0.000 0.775 387 L CB -0.057 42.047 42.059 0.075 0.000 0.913 387 L HN 0.349 nan 8.230 nan 0.000 0.440 388 Q N -1.143 118.759 119.800 0.169 0.000 2.042 388 Q HA -0.077 4.388 4.340 0.208 0.000 0.194 388 Q C 2.142 178.290 176.000 0.246 0.000 0.978 388 Q CA 1.513 57.489 55.803 0.289 0.000 0.828 388 Q CB -0.704 28.081 28.738 0.079 0.000 0.901 388 Q HN 0.341 nan 8.270 nan 0.000 0.461 389 V N 0.341 120.364 119.914 0.182 0.000 2.492 389 V HA 0.133 4.378 4.120 0.208 0.000 0.241 389 V C 1.982 178.125 176.094 0.081 0.000 1.041 389 V CA 1.566 63.941 62.300 0.125 0.000 1.057 389 V CB -0.422 31.472 31.823 0.119 0.000 0.711 389 V HN 0.275 nan 8.190 nan 0.000 0.468 390 A N 0.464 123.342 122.820 0.096 0.000 1.908 390 A HA -0.189 4.256 4.320 0.208 0.000 0.218 390 A C 2.542 180.315 177.584 0.316 0.000 1.181 390 A CA 2.891 55.030 52.037 0.171 0.000 0.627 390 A CB -0.928 18.191 19.000 0.197 0.000 0.818 390 A HN 0.828 nan 8.150 nan 0.000 0.445 391 S N -0.942 114.929 115.700 0.286 0.000 2.310 391 S HA 0.001 4.596 4.470 0.208 0.000 0.205 391 S C 1.900 176.599 174.600 0.165 0.000 1.020 391 S CA 1.020 59.410 58.200 0.316 0.000 0.939 391 S CB -0.937 62.460 63.200 0.329 0.000 0.919 391 S HN 0.480 nan 8.310 nan 0.000 0.501 392 L N 2.366 123.680 121.223 0.151 0.000 1.933 392 L HA -0.030 4.434 4.340 0.208 0.000 0.220 392 L C 2.528 179.360 176.870 -0.063 0.000 1.078 392 L CA 2.211 57.064 54.840 0.021 0.000 0.773 392 L CB -1.223 40.786 42.059 -0.082 0.000 0.890 392 L HN 0.327 nan 8.230 nan 0.000 0.434 393 V N -0.347 119.526 119.914 -0.069 0.000 2.220 393 V HA -0.413 3.832 4.120 0.208 0.000 0.250 393 V C 2.485 178.436 176.094 -0.238 0.000 1.056 393 V CA 2.582 64.788 62.300 -0.156 0.000 1.016 393 V CB -1.363 30.383 31.823 -0.129 0.000 0.639 393 V HN 0.671 nan 8.190 nan 0.000 0.446 394 T N 0.656 115.129 114.554 -0.135 0.000 2.580 394 T HA -0.238 4.237 4.350 0.208 0.000 0.265 394 T C 1.824 176.373 174.700 -0.252 0.000 1.063 394 T CA 2.334 64.338 62.100 -0.160 0.000 1.170 394 T CB -0.483 68.291 68.868 -0.157 0.000 0.863 394 T HN 0.330 nan 8.240 nan 0.000 0.418 395 L N 0.881 121.981 121.223 -0.205 0.000 2.042 395 L HA -0.140 4.325 4.340 0.208 0.000 0.210 395 L C 2.876 179.665 176.870 -0.135 0.000 1.076 395 L CA 1.498 56.208 54.840 -0.217 0.000 0.749 395 L CB -1.583 40.397 42.059 -0.131 0.000 0.893 395 L HN 0.275 nan 8.230 nan 0.000 0.432 396 T N 0.167 114.651 114.554 -0.118 0.000 2.620 396 T HA -0.355 4.120 4.350 0.208 0.000 0.267 396 T C 2.056 176.746 174.700 -0.017 0.000 1.044 396 T CA 1.827 63.897 62.100 -0.050 0.000 1.161 396 T CB -0.624 68.220 68.868 -0.040 0.000 0.862 396 T HN 0.497 nan 8.240 nan 0.000 0.438 397 A N 1.315 123.981 122.820 -0.256 0.000 1.865 397 A HA -0.131 4.314 4.320 0.208 0.000 0.217 397 A C 2.396 180.116 177.584 0.227 0.000 1.191 397 A CA 2.051 53.963 52.037 -0.209 0.000 0.623 397 A CB -0.843 17.699 19.000 -0.763 0.000 0.826 397 A HN 0.487 nan 8.150 nan 0.000 0.444 398 M N -0.730 118.945 119.600 0.126 0.000 2.163 398 M HA -0.181 4.424 4.480 0.208 0.000 0.258 398 M C 2.325 178.731 176.300 0.177 0.000 1.071 398 M CA 1.846 57.243 55.300 0.162 0.000 1.093 398 M CB -0.918 31.666 32.600 -0.027 0.000 1.285 398 M HN 0.504 nan 8.290 nan 0.000 0.420 399 G N -1.106 107.785 108.800 0.152 0.000 2.499 399 G HA2 -0.191 3.893 3.960 0.208 0.000 0.221 399 G HA3 -0.191 3.893 3.960 0.208 0.000 0.221 399 G C 1.425 176.479 174.900 0.257 0.000 1.109 399 G CA 1.367 46.617 45.100 0.251 0.000 0.749 399 G HN 0.487 nan 8.290 nan 0.000 0.568 400 S N -0.142 115.590 115.700 0.054 0.000 2.575 400 S HA 0.147 4.742 4.470 0.208 0.000 0.215 400 S C 1.969 176.130 174.600 -0.733 0.000 0.966 400 S CA -0.342 57.593 58.200 -0.441 0.000 0.911 400 S CB 0.118 63.169 63.200 -0.249 0.000 0.780 400 S HN 0.156 nan 8.310 nan 0.000 0.514 401 L N 0.739 121.737 121.223 -0.375 0.000 2.012 401 L HA -0.082 4.383 4.340 0.208 0.000 0.210 401 L C 1.076 177.655 176.870 -0.485 0.000 1.073 401 L CA 1.712 56.246 54.840 -0.509 0.000 0.748 401 L CB -1.014 40.639 42.059 -0.677 0.000 0.891 401 L HN 0.405 nan 8.230 nan 0.000 0.431 402 Y N -0.863 119.358 120.300 -0.132 0.000 2.487 402 Y HA -0.105 4.570 4.550 0.208 0.000 0.339 402 Y C 1.171 177.171 175.900 0.167 0.000 1.191 402 Y CA 0.147 58.256 58.100 0.015 0.000 1.279 402 Y CB -0.754 37.752 38.460 0.076 0.000 1.122 402 Y HN 0.416 nan 8.280 nan 0.000 0.500 403 W N -5.323 116.026 121.300 0.081 0.000 4.740 403 W HA 0.046 4.827 4.660 0.201 0.000 0.160 403 W C 0.567 177.104 176.519 0.031 0.000 1.012 403 W CA -0.157 57.222 57.345 0.057 0.000 1.686 403 W CB -0.899 28.595 29.460 0.056 0.000 0.528 403 W HN -0.136 nan 8.180 nan 0.000 1.041 404 L N 2.078 123.016 121.223 -0.474 0.000 2.042 404 L HA -0.120 4.345 4.340 0.208 0.000 0.210 404 L C 2.440 179.198 176.870 -0.186 0.000 1.076 404 L CA 1.721 56.340 54.840 -0.367 0.000 0.749 404 L CB -1.460 40.174 42.059 -0.708 0.000 0.893 404 L HN -0.025 nan 8.230 nan 0.000 0.432 405 L N -0.381 120.702 121.223 -0.233 0.000 1.994 405 L HA -0.107 4.358 4.340 0.208 0.000 0.208 405 L C -0.221 176.599 176.870 -0.084 0.000 1.071 405 L CA 1.992 56.724 54.840 -0.180 0.000 0.745 405 L CB -2.161 39.743 42.059 -0.258 0.000 0.892 405 L HN 0.140 nan 8.230 nan 0.000 0.431 406 P HA -0.206 nan 4.420 nan 0.000 0.213 406 P C 1.493 178.821 177.300 0.046 0.000 1.176 406 P CA 1.532 64.647 63.100 0.024 0.000 0.919 406 P CB -0.137 31.609 31.700 0.076 0.000 0.791 407 N N -0.377 118.385 118.700 0.103 0.000 2.111 407 N HA -0.195 4.670 4.740 0.208 0.000 0.197 407 N C 1.493 177.050 175.510 0.078 0.000 1.011 407 N CA 1.719 54.857 53.050 0.147 0.000 0.880 407 N CB -0.557 38.093 38.487 0.273 0.000 1.031 407 N HN 0.131 nan 8.380 nan 0.000 0.444 408 L N -0.638 120.580 121.223 -0.008 0.000 2.298 408 L HA 0.052 4.517 4.340 0.208 0.000 0.209 408 L C 2.429 179.283 176.870 -0.027 0.000 1.084 408 L CA 1.173 55.973 54.840 -0.067 0.000 0.816 408 L CB -0.459 41.496 42.059 -0.174 0.000 0.967 408 L HN 0.183 nan 8.230 nan 0.000 0.460 409 T N -3.745 110.791 114.554 -0.029 0.000 3.010 409 T HA 0.245 4.720 4.350 0.208 0.000 0.252 409 T C 1.665 176.360 174.700 -0.008 0.000 1.047 409 T CA 0.771 62.861 62.100 -0.015 0.000 1.140 409 T CB 0.376 69.222 68.868 -0.036 0.000 0.885 409 T HN 0.392 nan 8.240 nan 0.000 0.464 410 G N 1.649 110.448 108.800 -0.002 0.000 2.234 410 G HA2 -0.231 3.853 3.960 0.208 0.000 0.235 410 G HA3 -0.231 3.853 3.960 0.208 0.000 0.235 410 G C 0.093 174.994 174.900 0.001 0.000 0.997 410 G CA 0.001 45.103 45.100 0.004 0.000 0.623 410 G HN 0.656 nan 8.290 nan 0.000 0.514 411 K N 2.018 122.410 120.400 -0.014 0.000 2.401 411 K HA 0.401 4.846 4.320 0.208 0.000 0.278 411 K C -2.267 174.325 176.600 -0.014 0.000 1.018 411 K CA -0.772 55.502 56.287 -0.021 0.000 0.981 411 K CB 1.181 33.655 32.500 -0.044 0.000 0.933 411 K HN 0.248 nan 8.250 nan 0.000 0.477 412 P HA 0.354 nan 4.420 nan 0.000 0.287 412 P C -0.839 176.475 177.300 0.024 0.000 1.292 412 P CA -0.775 62.337 63.100 0.020 0.000 0.879 412 P CB 0.819 32.535 31.700 0.026 0.000 1.214 413 I N 0.605 121.212 120.570 0.061 0.000 2.307 413 I HA 0.156 4.451 4.170 0.208 0.000 0.287 413 I C 0.735 176.906 176.117 0.090 0.000 1.054 413 I CA -0.062 61.292 61.300 0.091 0.000 1.218 413 I CB 0.101 38.217 38.000 0.193 0.000 1.398 413 I HN 0.281 nan 8.210 nan 0.000 0.475 414 S N 2.653 118.392 115.700 0.066 0.000 2.563 414 S HA -0.095 4.500 4.470 0.208 0.000 0.294 414 S C 1.166 175.810 174.600 0.074 0.000 1.279 414 S CA -0.252 57.983 58.200 0.059 0.000 1.069 414 S CB 0.395 63.623 63.200 0.048 0.000 0.828 414 S HN 0.704 nan 8.310 nan 0.000 0.497 415 D N 3.258 123.695 120.400 0.061 0.000 2.357 415 D HA -0.130 4.635 4.640 0.208 0.000 0.216 415 D C 1.525 177.863 176.300 0.063 0.000 0.973 415 D CA 1.618 55.653 54.000 0.058 0.000 0.912 415 D CB -0.304 40.522 40.800 0.044 0.000 0.900 415 D HN 0.735 nan 8.370 nan 0.000 0.501 416 A N -0.884 121.978 122.820 0.070 0.000 2.197 416 A HA 0.104 4.549 4.320 0.208 0.000 0.210 416 A C 1.981 179.628 177.584 0.105 0.000 1.180 416 A CA 0.008 52.092 52.037 0.078 0.000 0.846 416 A CB -0.032 19.011 19.000 0.071 0.000 0.884 416 A HN 0.187 nan 8.150 nan 0.000 0.487 417 Q N -0.400 119.469 119.800 0.114 0.000 2.119 417 Q HA -0.090 4.375 4.340 0.208 0.000 0.201 417 Q C 2.287 178.408 176.000 0.202 0.000 0.972 417 Q CA 1.053 56.947 55.803 0.152 0.000 0.847 417 Q CB -0.109 28.710 28.738 0.135 0.000 0.903 417 Q HN 0.564 nan 8.270 nan 0.000 0.433 418 R N 0.990 121.582 120.500 0.154 0.000 2.066 418 R HA -0.079 4.386 4.340 0.208 0.000 0.232 418 R C 2.105 178.424 176.300 0.031 0.000 1.131 418 R CA 1.133 57.278 56.100 0.075 0.000 0.955 418 R CB -0.070 30.265 30.300 0.058 0.000 0.851 418 R HN 0.083 nan 8.270 nan 0.000 0.432 419 R N 0.488 121.025 120.500 0.061 0.000 2.159 419 R HA -0.147 4.318 4.340 0.208 0.000 0.237 419 R C 2.215 178.567 176.300 0.087 0.000 1.131 419 R CA 0.923 57.062 56.100 0.064 0.000 0.982 419 R CB -0.219 30.116 30.300 0.057 0.000 0.868 419 R HN 0.133 nan 8.270 nan 0.000 0.453 420 L N -0.052 121.238 121.223 0.111 0.000 1.988 420 L HA 0.004 4.469 4.340 0.208 0.000 0.207 420 L C 2.028 178.995 176.870 0.163 0.000 1.071 420 L CA 2.349 57.275 54.840 0.144 0.000 0.744 420 L CB -1.469 40.695 42.059 0.176 0.000 0.893 420 L HN 0.204 nan 8.230 nan 0.000 0.433 421 G N 0.225 109.119 108.800 0.157 0.000 2.764 421 G HA2 -0.381 3.704 3.960 0.208 0.000 0.219 421 G HA3 -0.381 3.704 3.960 0.208 0.000 0.219 421 G C 1.650 176.607 174.900 0.096 0.000 1.259 421 G CA 1.707 46.874 45.100 0.112 0.000 0.793 421 G HN 0.472 nan 8.290 nan 0.000 0.633 422 L N 0.863 122.116 121.223 0.050 0.000 2.054 422 L HA -0.337 4.128 4.340 0.208 0.000 0.240 422 L C 3.443 180.517 176.870 0.341 0.000 1.107 422 L CA 2.354 57.328 54.840 0.223 0.000 0.833 422 L CB -0.958 41.241 42.059 0.233 0.000 0.929 422 L HN 0.391 nan 8.230 nan 0.000 0.447 423 A N -0.609 122.366 122.820 0.259 0.000 1.923 423 A HA -0.289 4.156 4.320 0.208 0.000 0.222 423 A C 2.248 180.002 177.584 0.282 0.000 1.258 423 A CA 2.979 55.161 52.037 0.242 0.000 0.670 423 A CB -1.333 17.763 19.000 0.161 0.000 0.834 423 A HN 0.301 nan 8.150 nan 0.000 0.470 424 V N -0.857 119.217 119.914 0.266 0.000 2.233 424 V HA -0.261 3.984 4.120 0.208 0.000 0.247 424 V C 2.507 178.787 176.094 0.309 0.000 1.050 424 V CA 2.074 64.556 62.300 0.304 0.000 1.010 424 V CB -1.057 30.968 31.823 0.336 0.000 0.637 424 V HN 0.382 nan 8.190 nan 0.000 0.444 425 V N -1.549 118.502 119.914 0.228 0.000 2.469 425 V HA -0.274 3.971 4.120 0.208 0.000 0.251 425 V C 2.060 178.248 176.094 0.157 0.000 1.064 425 V CA 2.171 64.544 62.300 0.122 0.000 1.066 425 V CB -0.634 31.185 31.823 -0.006 0.000 0.667 425 V HN 0.662 nan 8.190 nan 0.000 0.461 426 W N -1.049 120.388 121.300 0.228 0.000 2.494 426 W HA 0.094 4.879 4.660 0.209 0.000 0.286 426 W C 2.244 178.917 176.519 0.256 0.000 1.218 426 W CA 0.382 57.874 57.345 0.245 0.000 1.313 426 W CB -0.152 29.404 29.460 0.160 0.000 1.105 426 W HN 0.102 nan 8.180 nan 0.000 0.561 427 L N -0.731 120.754 121.223 0.436 0.000 2.017 427 L HA -0.253 4.212 4.340 0.208 0.000 0.208 427 L C 2.432 179.472 176.870 0.284 0.000 1.073 427 L CA 1.371 56.393 54.840 0.303 0.000 0.745 427 L CB -0.897 41.305 42.059 0.238 0.000 0.894 427 L HN 0.244 nan 8.230 nan 0.000 0.432 428 W N 0.434 121.812 121.300 0.129 0.000 2.318 428 W HA -0.345 4.441 4.660 0.210 0.000 0.313 428 W C 2.562 179.128 176.519 0.080 0.000 1.221 428 W CA 2.084 59.471 57.345 0.071 0.000 1.266 428 W CB -0.520 28.965 29.460 0.041 0.000 1.150 428 W HN 0.171 nan 8.180 nan 0.000 0.496 429 F N 1.115 121.244 119.950 0.299 0.000 2.060 429 F HA -0.236 4.416 4.527 0.208 0.000 0.295 429 F C 2.100 177.956 175.800 0.094 0.000 1.120 429 F CA 1.684 59.781 58.000 0.163 0.000 1.205 429 F CB -0.999 38.016 39.000 0.026 0.000 0.986 429 F HN -0.334 nan 8.300 nan 0.000 0.470 430 L N 1.181 122.461 121.223 0.094 0.000 2.351 430 L HA -0.127 4.338 4.340 0.208 0.000 0.220 430 L C 2.545 179.339 176.870 -0.127 0.000 1.127 430 L CA 1.512 56.332 54.840 -0.033 0.000 0.786 430 L CB -2.478 39.682 42.059 0.169 0.000 0.914 430 L HN 0.437 nan 8.230 nan 0.000 0.443 431 G N -1.505 107.207 108.800 -0.146 0.000 2.456 431 G HA2 -0.186 3.899 3.960 0.208 0.000 0.213 431 G HA3 -0.186 3.899 3.960 0.208 0.000 0.213 431 G C 1.534 176.274 174.900 -0.267 0.000 1.215 431 G CA 0.277 45.251 45.100 -0.210 0.000 0.805 431 G HN 0.107 nan 8.290 nan 0.000 0.537 432 M N 0.421 119.814 119.600 -0.344 0.000 2.113 432 M HA -0.114 4.491 4.480 0.208 0.000 0.255 432 M C 2.657 178.798 176.300 -0.265 0.000 1.073 432 M CA 1.338 56.462 55.300 -0.293 0.000 1.091 432 M CB -1.177 31.293 32.600 -0.218 0.000 1.309 432 M HN 0.155 nan 8.290 nan 0.000 0.407 433 M N 0.010 119.382 119.600 -0.379 0.000 2.065 433 M HA -0.171 4.434 4.480 0.208 0.000 0.259 433 M C 2.360 178.572 176.300 -0.147 0.000 1.071 433 M CA 1.690 56.797 55.300 -0.321 0.000 1.109 433 M CB -1.502 30.808 32.600 -0.483 0.000 1.313 433 M HN 0.276 nan 8.290 nan 0.000 0.408 434 I N -0.510 120.010 120.570 -0.085 0.000 2.145 434 I HA -0.382 3.913 4.170 0.208 0.000 0.244 434 I C 2.712 178.873 176.117 0.074 0.000 1.075 434 I CA 1.788 63.138 61.300 0.084 0.000 1.332 434 I CB -0.750 37.281 38.000 0.052 0.000 1.033 434 I HN 0.377 nan 8.210 nan 0.000 0.410 435 M N 0.913 120.474 119.600 -0.064 0.000 2.099 435 M HA -0.158 4.447 4.480 0.208 0.000 0.262 435 M C 2.585 178.818 176.300 -0.113 0.000 1.067 435 M CA 1.964 57.202 55.300 -0.103 0.000 1.124 435 M CB -0.190 32.278 32.600 -0.220 0.000 1.353 435 M HN 0.272 nan 8.290 nan 0.000 0.410 436 A N 0.188 122.932 122.820 -0.127 0.000 1.906 436 A HA -0.268 4.177 4.320 0.208 0.000 0.222 436 A C 2.094 179.655 177.584 -0.037 0.000 1.282 436 A CA 2.714 54.710 52.037 -0.069 0.000 0.675 436 A CB -1.564 17.354 19.000 -0.137 0.000 0.838 436 A HN 0.451 nan 8.150 nan 0.000 0.469 437 V N -0.495 119.357 119.914 -0.102 0.000 2.270 437 V HA -0.146 4.099 4.120 0.208 0.000 0.245 437 V C 2.825 178.892 176.094 -0.045 0.000 1.043 437 V CA 2.201 64.405 62.300 -0.161 0.000 1.014 437 V CB -1.446 30.199 31.823 -0.296 0.000 0.645 437 V HN 0.730 nan 8.190 nan 0.000 0.447 438 G N -0.090 108.698 108.800 -0.020 0.000 2.574 438 G HA2 -0.293 3.792 3.960 0.208 0.000 0.220 438 G HA3 -0.293 3.792 3.960 0.208 0.000 0.220 438 G C 1.441 176.394 174.900 0.088 0.000 1.173 438 G CA 1.517 46.661 45.100 0.074 0.000 0.772 438 G HN 0.374 nan 8.290 nan 0.000 0.585 439 L N -0.245 120.986 121.223 0.015 0.000 2.034 439 L HA 0.159 4.624 4.340 0.208 0.000 0.203 439 L C 2.502 179.384 176.870 0.020 0.000 1.074 439 L CA 1.579 56.387 54.840 -0.054 0.000 0.748 439 L CB -1.559 40.355 42.059 -0.241 0.000 0.905 439 L HN 0.284 nan 8.230 nan 0.000 0.439 440 H N -1.960 117.051 119.070 -0.098 0.000 2.289 440 H HA -0.290 4.391 4.556 0.208 0.000 0.294 440 H C 1.867 177.347 175.328 0.253 0.000 1.095 440 H CA 2.619 58.613 56.048 -0.090 0.000 1.256 440 H CB -0.297 29.263 29.762 -0.336 0.000 1.359 440 H HN 0.317 nan 8.280 nan 0.000 0.487 441 W N 1.305 122.675 121.300 0.118 0.000 2.315 441 W HA -0.228 4.557 4.660 0.208 0.000 0.323 441 W C 2.676 179.256 176.519 0.100 0.000 1.233 441 W CA 2.127 59.521 57.345 0.081 0.000 1.267 441 W CB -1.048 28.387 29.460 -0.043 0.000 1.160 441 W HN 0.243 nan 8.180 nan 0.000 0.474 442 A N 0.434 123.446 122.820 0.321 0.000 1.898 442 A HA -0.037 4.408 4.320 0.208 0.000 0.216 442 A C 2.339 180.024 177.584 0.168 0.000 1.181 442 A CA 2.423 54.537 52.037 0.129 0.000 0.620 442 A CB -1.577 17.469 19.000 0.078 0.000 0.819 442 A HN 0.364 nan 8.150 nan 0.000 0.442 443 G N 0.354 109.281 108.800 0.211 0.000 2.599 443 G HA2 -0.301 3.784 3.960 0.208 0.000 0.219 443 G HA3 -0.301 3.784 3.960 0.208 0.000 0.219 443 G C 1.449 176.491 174.900 0.236 0.000 1.193 443 G CA 1.320 46.562 45.100 0.237 0.000 0.778 443 G HN 0.479 nan 8.290 nan 0.000 0.589 444 L N 0.009 121.423 121.223 0.319 0.000 2.456 444 L HA 0.120 4.585 4.340 0.208 0.000 0.224 444 L C 1.882 178.855 176.870 0.172 0.000 1.148 444 L CA 0.150 55.121 54.840 0.218 0.000 0.825 444 L CB -0.141 42.069 42.059 0.251 0.000 0.937 444 L HN 0.175 nan 8.230 nan 0.000 0.450 445 L N -0.575 120.759 121.223 0.186 0.000 2.728 445 L HA 0.172 4.637 4.340 0.208 0.000 0.235 445 L C 0.369 177.308 176.870 0.115 0.000 1.197 445 L CA 0.070 54.992 54.840 0.137 0.000 0.992 445 L CB -0.554 41.587 42.059 0.136 0.000 1.263 445 L HN 0.347 nan 8.230 nan 0.000 0.484 446 N N -2.258 116.501 118.700 0.098 0.000 2.909 446 N HA -0.162 4.703 4.740 0.208 0.000 0.242 446 N C 0.080 175.625 175.510 0.058 0.000 0.975 446 N CA 0.011 53.115 53.050 0.089 0.000 0.921 446 N CB -1.053 37.496 38.487 0.103 0.000 1.112 446 N HN 0.065 nan 8.380 nan 0.000 0.581 447 V N 2.495 122.385 119.914 -0.039 0.000 2.475 447 V HA 0.058 4.303 4.120 0.208 0.000 0.292 447 V C -1.001 175.023 176.094 -0.117 0.000 1.003 447 V CA -0.207 61.904 62.300 -0.315 0.000 1.120 447 V CB -0.134 31.487 31.823 -0.336 0.000 0.937 447 V HN 0.106 nan 8.190 nan 0.000 0.476 448 P HA 0.288 nan 4.420 nan 0.000 0.288 448 P C -0.676 176.698 177.300 0.124 0.000 1.291 448 P CA -0.498 62.617 63.100 0.025 0.000 0.766 448 P CB 0.732 32.458 31.700 0.043 0.000 1.242 449 R N -1.822 118.773 120.500 0.159 0.000 2.837 449 R HA 0.623 5.088 4.340 0.208 0.000 0.271 449 R C -0.499 175.952 176.300 0.252 0.000 0.993 449 R CA -0.968 55.271 56.100 0.232 0.000 0.931 449 R CB 1.031 31.426 30.300 0.158 0.000 1.206 449 R HN 0.344 nan 8.270 nan 0.000 0.474 450 R N -0.353 120.339 120.500 0.321 0.000 3.407 450 R HA -0.121 4.344 4.340 0.208 0.000 0.277 450 R C -1.271 175.233 176.300 0.340 0.000 1.119 450 R CA 0.896 57.208 56.100 0.353 0.000 0.750 450 R CB -2.277 28.198 30.300 0.292 0.000 1.258 450 R HN 0.798 nan 8.270 nan 0.000 0.432 451 A N 0.256 123.186 122.820 0.182 0.000 2.408 451 A HA 0.391 4.836 4.320 0.208 0.000 0.295 451 A C -0.631 176.671 177.584 -0.471 0.000 1.040 451 A CA -0.550 51.474 52.037 -0.022 0.000 0.707 451 A CB 0.931 19.947 19.000 0.027 0.000 1.235 451 A HN 0.390 nan 8.150 nan 0.000 0.418 452 Y N 4.142 123.971 120.300 -0.785 0.000 3.168 452 Y HA 0.033 4.709 4.550 0.209 0.000 0.373 452 Y C 1.501 177.162 175.900 -0.398 0.000 1.073 452 Y CA 0.207 57.820 58.100 -0.812 0.000 2.070 452 Y CB -0.328 37.747 38.460 -0.642 0.000 2.252 452 Y HN 0.762 nan 8.280 nan 0.000 0.404 453 I N -1.400 119.024 120.570 -0.242 0.000 2.700 453 I HA -0.167 4.128 4.170 0.208 0.000 0.261 453 I C 2.045 178.097 176.117 -0.109 0.000 1.219 453 I CA 1.419 62.618 61.300 -0.168 0.000 1.463 453 I CB -0.214 37.595 38.000 -0.318 0.000 1.092 453 I HN 0.303 nan 8.210 nan 0.000 0.452 454 A N 0.719 123.489 122.820 -0.082 0.000 2.067 454 A HA -0.186 4.259 4.320 0.208 0.000 0.219 454 A C 2.344 179.815 177.584 -0.189 0.000 1.158 454 A CA 1.577 53.581 52.037 -0.055 0.000 0.661 454 A CB -0.589 18.462 19.000 0.086 0.000 0.801 454 A HN 0.625 nan 8.150 nan 0.000 0.452 455 Q N -0.374 119.188 119.800 -0.398 0.000 2.378 455 Q HA 0.003 4.468 4.340 0.208 0.000 0.205 455 Q C 0.468 176.329 176.000 -0.231 0.000 0.954 455 Q CA 1.199 56.725 55.803 -0.462 0.000 0.901 455 Q CB 0.102 28.394 28.738 -0.743 0.000 0.981 455 Q HN 0.592 nan 8.270 nan 0.000 0.483 456 V N -2.801 117.023 119.914 -0.149 0.000 2.294 456 V HA 0.401 4.646 4.120 0.208 0.000 0.258 456 V C -2.457 173.595 176.094 -0.070 0.000 1.080 456 V CA -1.598 60.643 62.300 -0.097 0.000 1.128 456 V CB 0.787 32.566 31.823 -0.073 0.000 1.323 456 V HN -0.021 nan 8.190 nan 0.000 0.498 457 P HA -0.032 nan 4.420 nan 0.000 0.223 457 P C 0.662 177.933 177.300 -0.047 0.000 1.144 457 P CA 1.238 64.309 63.100 -0.048 0.000 0.783 457 P CB 0.153 31.822 31.700 -0.051 0.000 0.771 458 D N -1.603 118.753 120.400 -0.073 0.000 2.368 458 D HA 0.175 4.940 4.640 0.208 0.000 0.218 458 D C 1.373 177.596 176.300 -0.128 0.000 1.112 458 D CA 0.136 54.086 54.000 -0.082 0.000 0.834 458 D CB 0.341 41.094 40.800 -0.078 0.000 0.953 458 D HN 0.134 nan 8.370 nan 0.000 0.505 459 A N -0.187 122.525 122.820 -0.181 0.000 2.095 459 A HA 0.015 4.460 4.320 0.208 0.000 0.212 459 A C 0.462 177.641 177.584 -0.676 0.000 1.162 459 A CA 0.292 52.069 52.037 -0.434 0.000 0.753 459 A CB -0.029 18.652 19.000 -0.533 0.000 0.840 459 A HN 0.134 nan 8.150 nan 0.000 0.468 460 Y N -0.620 119.662 120.300 -0.031 0.000 2.525 460 Y HA 0.294 4.969 4.550 0.208 0.000 0.365 460 Y C -1.756 174.142 175.900 -0.004 0.000 0.929 460 Y CA -2.425 55.672 58.100 -0.005 0.000 1.196 460 Y CB 0.149 38.597 38.460 -0.020 0.000 1.232 460 Y HN 0.166 nan 8.280 nan 0.000 0.613 461 P HA -0.304 nan 4.420 nan 0.000 0.230 461 P C 0.780 178.010 177.300 -0.115 0.000 1.150 461 P CA 2.146 65.213 63.100 -0.054 0.000 0.933 461 P CB 0.205 31.868 31.700 -0.061 0.000 0.785 462 H N -2.698 116.379 119.070 0.011 0.000 2.553 462 H HA 0.359 5.040 4.556 0.208 0.000 0.265 462 H C 1.617 176.900 175.328 -0.075 0.000 0.964 462 H CA 0.718 56.760 56.048 -0.011 0.000 1.156 462 H CB -0.342 29.434 29.762 0.024 0.000 1.411 462 H HN 0.102 nan 8.280 nan 0.000 0.558 463 A N 0.703 123.550 122.820 0.044 0.000 2.259 463 A HA 0.336 4.781 4.320 0.208 0.000 0.208 463 A C 2.296 179.795 177.584 -0.140 0.000 1.201 463 A CA 0.659 52.646 52.037 -0.084 0.000 0.824 463 A CB -0.624 18.372 19.000 -0.006 0.000 0.838 463 A HN 0.418 nan 8.150 nan 0.000 0.485 464 A N -0.062 122.690 122.820 -0.114 0.000 1.869 464 A HA -0.184 4.261 4.320 0.208 0.000 0.218 464 A C 2.358 179.860 177.584 -0.137 0.000 1.203 464 A CA 2.320 54.295 52.037 -0.104 0.000 0.638 464 A CB -1.152 17.791 19.000 -0.096 0.000 0.831 464 A HN 1.173 nan 8.150 nan 0.000 0.450 465 V N 0.234 120.008 119.914 -0.233 0.000 2.283 465 V HA -0.071 4.174 4.120 0.208 0.000 0.243 465 V C -0.362 175.589 176.094 -0.239 0.000 1.039 465 V CA 2.017 64.178 62.300 -0.231 0.000 1.016 465 V CB -1.326 30.373 31.823 -0.205 0.000 0.650 465 V HN 0.424 nan 8.190 nan 0.000 0.449 466 P HA -0.230 nan 4.420 nan 0.000 0.216 466 P C 1.998 179.306 177.300 0.013 0.000 1.154 466 P CA 2.144 65.069 63.100 -0.292 0.000 0.865 466 P CB -0.292 31.151 31.700 -0.428 0.000 0.789 467 M N -1.108 118.459 119.600 -0.054 0.000 2.337 467 M HA -0.140 4.465 4.480 0.208 0.000 0.261 467 M C 1.840 178.172 176.300 0.053 0.000 1.067 467 M CA 1.348 56.657 55.300 0.015 0.000 1.074 467 M CB -0.704 31.888 32.600 -0.014 0.000 1.395 467 M HN -0.201 nan 8.290 nan 0.000 0.431 468 V N -1.225 118.730 119.914 0.068 0.000 2.323 468 V HA -0.205 4.040 4.120 0.208 0.000 0.244 468 V C 1.928 178.049 176.094 0.045 0.000 1.041 468 V CA 1.612 63.928 62.300 0.027 0.000 1.025 468 V CB -0.945 30.865 31.823 -0.022 0.000 0.656 468 V HN 0.266 nan 8.190 nan 0.000 0.451 469 F N 1.466 121.406 119.950 -0.017 0.000 2.161 469 F HA -0.138 4.514 4.527 0.208 0.000 0.300 469 F C 2.470 178.254 175.800 -0.028 0.000 1.089 469 F CA 1.610 59.609 58.000 -0.002 0.000 1.282 469 F CB -0.735 38.292 39.000 0.046 0.000 1.010 469 F HN 0.185 nan 8.300 nan 0.000 0.485 470 N N 0.302 119.110 118.700 0.181 0.000 2.084 470 N HA -0.153 4.711 4.740 0.208 0.000 0.190 470 N C 2.211 177.738 175.510 0.029 0.000 1.030 470 N CA 1.446 54.544 53.050 0.081 0.000 0.849 470 N CB -0.935 37.616 38.487 0.106 0.000 1.012 470 N HN 0.111 nan 8.380 nan 0.000 0.423 471 V N 2.334 122.263 119.914 0.025 0.000 2.250 471 V HA -0.226 4.018 4.120 0.208 0.000 0.250 471 V C 2.490 178.556 176.094 -0.047 0.000 1.060 471 V CA 1.454 63.747 62.300 -0.011 0.000 1.030 471 V CB -0.511 31.302 31.823 -0.017 0.000 0.643 471 V HN 0.317 nan 8.190 nan 0.000 0.445 472 L N -0.627 120.560 121.223 -0.060 0.000 2.072 472 L HA -0.117 4.348 4.340 0.208 0.000 0.205 472 L C 2.629 179.447 176.870 -0.088 0.000 1.079 472 L CA 1.763 56.549 54.840 -0.090 0.000 0.752 472 L CB -0.727 41.251 42.059 -0.135 0.000 0.906 472 L HN 0.418 nan 8.230 nan 0.000 0.436 473 A N -0.083 122.693 122.820 -0.073 0.000 1.978 473 A HA -0.167 4.277 4.320 0.208 0.000 0.220 473 A C 2.266 179.769 177.584 -0.136 0.000 1.170 473 A CA 1.687 53.663 52.037 -0.101 0.000 0.636 473 A CB -1.110 17.835 19.000 -0.092 0.000 0.810 473 A HN 0.508 nan 8.150 nan 0.000 0.448 474 G N 0.296 109.025 108.800 -0.118 0.000 2.453 474 G HA2 -0.207 3.877 3.960 0.208 0.000 0.215 474 G HA3 -0.207 3.877 3.960 0.208 0.000 0.215 474 G C 1.508 176.310 174.900 -0.163 0.000 1.201 474 G CA 1.193 46.206 45.100 -0.146 0.000 0.784 474 G HN 0.479 nan 8.290 nan 0.000 0.545 475 I N 0.351 120.843 120.570 -0.129 0.000 2.091 475 I HA -0.234 4.061 4.170 0.208 0.000 0.239 475 I C 2.837 178.894 176.117 -0.099 0.000 1.061 475 I CA 1.009 62.242 61.300 -0.113 0.000 1.317 475 I CB -0.712 37.236 38.000 -0.087 0.000 1.031 475 I HN 0.055 nan 8.210 nan 0.000 0.401 476 V N 1.144 121.003 119.914 -0.092 0.000 2.215 476 V HA -0.326 3.919 4.120 0.208 0.000 0.249 476 V C 2.387 178.426 176.094 -0.091 0.000 1.054 476 V CA 2.435 64.691 62.300 -0.073 0.000 1.012 476 V CB -0.818 30.965 31.823 -0.066 0.000 0.639 476 V HN 0.367 nan 8.190 nan 0.000 0.448 477 L N -0.660 120.462 121.223 -0.170 0.000 2.191 477 L HA -0.174 4.291 4.340 0.208 0.000 0.212 477 L C 2.360 179.149 176.870 -0.135 0.000 1.103 477 L CA 1.107 55.809 54.840 -0.231 0.000 0.769 477 L CB -0.758 41.029 42.059 -0.453 0.000 0.908 477 L HN 0.307 nan 8.230 nan 0.000 0.438 478 L N -0.326 120.815 121.223 -0.137 0.000 1.971 478 L HA -0.268 4.197 4.340 0.208 0.000 0.215 478 L C 2.582 179.438 176.870 -0.023 0.000 1.072 478 L CA 1.826 56.601 54.840 -0.109 0.000 0.758 478 L CB -0.156 41.801 42.059 -0.169 0.000 0.889 478 L HN 0.084 nan 8.230 nan 0.000 0.433 479 V N 0.357 120.260 119.914 -0.018 0.000 2.220 479 V HA -0.356 3.889 4.120 0.208 0.000 0.246 479 V C 2.868 179.017 176.094 0.091 0.000 1.049 479 V CA 2.001 64.317 62.300 0.027 0.000 1.003 479 V CB -1.221 30.609 31.823 0.013 0.000 0.634 479 V HN 0.649 nan 8.190 nan 0.000 0.444 480 A N -0.250 122.635 122.820 0.108 0.000 1.929 480 A HA -0.319 4.126 4.320 0.208 0.000 0.221 480 A C 2.198 179.974 177.584 0.320 0.000 1.211 480 A CA 2.762 54.933 52.037 0.223 0.000 0.657 480 A CB -0.776 18.356 19.000 0.221 0.000 0.827 480 A HN 0.532 nan 8.150 nan 0.000 0.462 481 L N -0.775 120.605 121.223 0.261 0.000 2.109 481 L HA 0.009 4.474 4.340 0.208 0.000 0.207 481 L C 2.273 179.340 176.870 0.329 0.000 1.086 481 L CA 1.443 56.490 54.840 0.345 0.000 0.760 481 L CB -0.394 41.810 42.059 0.242 0.000 0.910 481 L HN 0.417 nan 8.230 nan 0.000 0.437 482 L N -0.938 120.414 121.223 0.215 0.000 1.970 482 L HA -0.270 4.195 4.340 0.208 0.000 0.212 482 L C 2.587 179.585 176.870 0.213 0.000 1.071 482 L CA 1.779 56.729 54.840 0.184 0.000 0.751 482 L CB -0.706 41.417 42.059 0.107 0.000 0.889 482 L HN 0.300 nan 8.230 nan 0.000 0.432 483 L N -1.162 120.179 121.223 0.196 0.000 2.051 483 L HA -0.314 4.151 4.340 0.208 0.000 0.214 483 L C 2.573 179.596 176.870 0.256 0.000 1.076 483 L CA 1.529 56.486 54.840 0.195 0.000 0.758 483 L CB -0.702 41.466 42.059 0.183 0.000 0.890 483 L HN 0.197 nan 8.230 nan 0.000 0.433 484 F N 0.532 120.573 119.950 0.153 0.000 2.216 484 F HA -0.189 4.463 4.527 0.207 0.000 0.300 484 F C 2.178 178.034 175.800 0.095 0.000 1.085 484 F CA 1.337 59.403 58.000 0.110 0.000 1.326 484 F CB -0.077 38.977 39.000 0.090 0.000 1.027 484 F HN -0.081 nan 8.300 nan 0.000 0.497 485 I N -1.339 119.335 120.570 0.173 0.000 2.233 485 I HA -0.279 4.016 4.170 0.208 0.000 0.243 485 I C 2.161 178.354 176.117 0.128 0.000 1.093 485 I CA 1.343 62.720 61.300 0.130 0.000 1.380 485 I CB -0.812 37.343 38.000 0.258 0.000 1.067 485 I HN 0.129 nan 8.210 nan 0.000 0.413 486 Y N 1.870 122.195 120.300 0.042 0.000 2.145 486 Y HA -0.197 4.478 4.550 0.209 0.000 0.286 486 Y C 2.455 178.343 175.900 -0.021 0.000 1.145 486 Y CA 1.738 59.860 58.100 0.037 0.000 1.148 486 Y CB -0.700 37.785 38.460 0.041 0.000 0.981 486 Y HN 0.086 nan 8.280 nan 0.000 0.507 487 G N 0.426 109.312 108.800 0.144 0.000 2.480 487 G HA2 -0.325 3.760 3.960 0.208 0.000 0.216 487 G HA3 -0.325 3.760 3.960 0.208 0.000 0.216 487 G C 1.573 176.308 174.900 -0.275 0.000 1.200 487 G CA 1.193 46.276 45.100 -0.029 0.000 0.782 487 G HN 0.459 nan 8.290 nan 0.000 0.554 488 L N -0.432 120.481 121.223 -0.517 0.000 1.994 488 L HA 0.162 4.627 4.340 0.208 0.000 0.208 488 L C 2.429 178.991 176.870 -0.513 0.000 1.071 488 L CA 1.645 56.068 54.840 -0.696 0.000 0.745 488 L CB -0.650 40.805 42.059 -1.006 0.000 0.892 488 L HN 0.209 nan 8.230 nan 0.000 0.431 489 F N -0.760 119.026 119.950 -0.274 0.000 2.771 489 F HA -0.058 4.594 4.527 0.209 0.000 0.299 489 F C 2.384 178.041 175.800 -0.239 0.000 1.177 489 F CA 0.749 58.622 58.000 -0.211 0.000 1.450 489 F CB -0.190 38.717 39.000 -0.154 0.000 1.114 489 F HN 0.372 nan 8.300 nan 0.000 0.587 490 S N -1.719 113.887 115.700 -0.157 0.000 2.505 490 S HA 0.012 4.607 4.470 0.208 0.000 0.216 490 S C 1.505 176.013 174.600 -0.153 0.000 1.018 490 S CA 0.312 58.391 58.200 -0.202 0.000 0.911 490 S CB -0.037 62.944 63.200 -0.365 0.000 0.818 490 S HN 0.112 nan 8.310 nan 0.000 0.497 491 V N 0.821 120.623 119.914 -0.187 0.000 3.541 491 V HA 0.415 4.660 4.120 0.208 0.000 0.267 491 V C 1.399 177.390 176.094 -0.173 0.000 1.213 491 V CA 0.847 63.037 62.300 -0.184 0.000 1.149 491 V CB -0.065 31.602 31.823 -0.261 0.000 0.822 491 V HN 0.569 nan 8.190 nan 0.000 0.462 492 L N -1.456 119.672 121.223 -0.158 0.000 2.600 492 L HA 0.342 4.807 4.340 0.208 0.000 0.213 492 L C 1.187 178.038 176.870 -0.031 0.000 1.045 492 L CA 0.286 55.060 54.840 -0.110 0.000 0.863 492 L CB 0.342 42.303 42.059 -0.164 0.000 1.189 492 L HN 0.142 nan 8.230 nan 0.000 0.484 493 L N 0.696 121.917 121.223 -0.003 0.000 2.511 493 L HA 0.180 4.644 4.340 0.208 0.000 0.239 493 L C -0.057 176.793 176.870 -0.034 0.000 1.400 493 L CA 0.182 55.023 54.840 0.001 0.000 1.226 493 L CB -0.026 42.035 42.059 0.004 0.000 1.475 493 L HN 0.019 nan 8.230 nan 0.000 0.428 494 S N 0.744 116.426 115.700 -0.031 0.000 2.673 494 S HA 0.360 4.955 4.470 0.208 0.000 0.256 494 S C 0.809 175.397 174.600 -0.021 0.000 1.141 494 S CA -0.792 57.389 58.200 -0.033 0.000 1.109 494 S CB 0.645 63.818 63.200 -0.046 0.000 1.101 494 S HN 0.449 nan 8.310 nan 0.000 0.471 495 R N 1.833 122.325 120.500 -0.014 0.000 2.115 495 R HA 0.122 4.587 4.340 0.208 0.000 0.230 495 R C 0.490 176.786 176.300 -0.006 0.000 1.111 495 R CA 0.595 56.691 56.100 -0.008 0.000 0.976 495 R CB -0.465 29.832 30.300 -0.005 0.000 0.870 495 R HN 0.670 nan 8.270 nan 0.000 0.445 496 E N 3.103 123.298 120.200 -0.007 0.000 2.175 496 E HA -0.092 4.383 4.350 0.208 0.000 0.247 496 E C -0.353 176.244 176.600 -0.005 0.000 1.259 496 E CA 0.271 56.668 56.400 -0.004 0.000 0.969 496 E CB -0.007 29.692 29.700 -0.002 0.000 1.051 496 E HN 0.211 nan 8.360 nan 0.000 0.448 497 R N 2.425 122.923 120.500 -0.003 0.000 2.288 497 R HA 0.350 4.815 4.340 0.208 0.000 0.326 497 R C -0.099 176.201 176.300 0.000 0.000 0.959 497 R CA -0.711 55.387 56.100 -0.003 0.000 0.834 497 R CB 1.123 31.421 30.300 -0.005 0.000 1.157 497 R HN -0.033 nan 8.270 nan 0.000 0.470 498 K N 3.176 123.579 120.400 0.004 0.000 3.000 498 K HA 0.208 4.653 4.320 0.208 0.000 0.239 498 K C -2.060 174.546 176.600 0.010 0.000 1.269 498 K CA -1.675 54.617 56.287 0.007 0.000 1.220 498 K CB 1.085 33.591 32.500 0.011 0.000 1.645 498 K HN 0.392 nan 8.250 nan 0.000 0.423 499 P HA -0.134 nan 4.420 nan 0.000 0.290 499 P C 0.590 177.899 177.300 0.015 0.000 1.584 499 P CA 0.520 63.626 63.100 0.010 0.000 0.813 499 P CB -0.317 31.381 31.700 -0.003 0.000 1.775 500 E N 0.736 120.948 120.200 0.019 0.000 2.158 500 E HA -0.123 4.351 4.350 0.208 0.000 0.191 500 E C 1.091 177.713 176.600 0.037 0.000 0.982 500 E CA 1.027 57.441 56.400 0.024 0.000 0.823 500 E CB -0.559 29.154 29.700 0.021 0.000 0.766 500 E HN 0.225 nan 8.360 nan 0.000 0.468 501 L N -1.293 119.955 121.223 0.040 0.000 2.591 501 L HA 0.432 4.896 4.340 0.208 0.000 0.228 501 L C 1.893 178.803 176.870 0.067 0.000 1.133 501 L CA 0.782 55.656 54.840 0.055 0.000 0.880 501 L CB -0.176 41.916 42.059 0.055 0.000 1.033 501 L HN 0.116 nan 8.230 nan 0.000 0.450 502 A N -0.092 122.761 122.820 0.055 0.000 2.085 502 A HA 0.120 4.565 4.320 0.208 0.000 0.208 502 A C 2.063 179.696 177.584 0.082 0.000 1.191 502 A CA 0.387 52.459 52.037 0.059 0.000 0.799 502 A CB -0.057 18.960 19.000 0.028 0.000 0.877 502 A HN 0.444 nan 8.150 nan 0.000 0.473 503 E N 0.837 121.085 120.200 0.079 0.000 2.028 503 E HA 0.209 4.684 4.350 0.208 0.000 0.190 503 E C 1.077 177.760 176.600 0.139 0.000 0.984 503 E CA 0.296 56.765 56.400 0.114 0.000 0.800 503 E CB -0.551 29.199 29.700 0.084 0.000 0.758 503 E HN 0.520 nan 8.360 nan 0.000 0.448 504 A N 3.258 126.142 122.820 0.107 0.000 2.290 504 A HA -0.123 4.322 4.320 0.208 0.000 0.313 504 A C -2.264 175.398 177.584 0.130 0.000 0.837 504 A CA -0.133 51.967 52.037 0.105 0.000 1.319 504 A CB -0.639 18.416 19.000 0.092 0.000 0.671 504 A HN 0.043 nan 8.150 nan 0.000 0.303 505 P HA 0.476 nan 4.420 nan 0.000 0.296 505 P C -0.105 177.272 177.300 0.128 0.000 1.301 505 P CA -0.785 62.389 63.100 0.124 0.000 0.862 505 P CB 0.788 32.547 31.700 0.098 0.000 1.046 506 L N 2.323 123.638 121.223 0.153 0.000 2.742 506 L HA -0.023 4.442 4.340 0.208 0.000 0.297 506 L C -1.553 175.276 176.870 -0.069 0.000 1.238 506 L CA -1.074 53.802 54.840 0.060 0.000 0.895 506 L CB -1.110 40.968 42.059 0.031 0.000 1.166 506 L HN 0.272 nan 8.230 nan 0.000 0.494 507 P HA 0.151 nan 4.420 nan 0.000 0.237 507 P C -0.215 176.901 177.300 -0.307 0.000 1.788 507 P CA -0.091 62.865 63.100 -0.241 0.000 1.061 507 P CB -0.195 31.320 31.700 -0.308 0.000 1.967 508 F N 1.699 121.530 119.950 -0.199 0.000 2.586 508 F HA 0.233 4.888 4.527 0.213 0.000 0.344 508 F C 1.449 177.177 175.800 -0.121 0.000 1.188 508 F CA 0.416 58.319 58.000 -0.162 0.000 1.359 508 F CB 0.425 39.351 39.000 -0.124 0.000 1.129 508 F HN 0.210 nan 8.300 nan 0.000 0.609 509 A N 2.152 125.027 122.820 0.091 0.000 2.337 509 A HA 0.585 5.030 4.320 0.208 0.000 0.329 509 A C -0.703 176.921 177.584 0.066 0.000 1.146 509 A CA -0.809 51.254 52.037 0.043 0.000 0.800 509 A CB 0.619 19.625 19.000 0.010 0.000 1.220 509 A HN 0.748 nan 8.150 nan 0.000 0.472 510 E N 0.466 120.696 120.200 0.050 0.000 2.318 510 E HA 0.458 4.933 4.350 0.208 0.000 0.265 510 E C -0.551 176.071 176.600 0.037 0.000 1.069 510 E CA -0.623 55.801 56.400 0.039 0.000 0.893 510 E CB 1.238 30.958 29.700 0.033 0.000 1.076 510 E HN 0.362 nan 8.360 nan 0.000 0.414 511 V N 2.383 122.307 119.914 0.017 0.000 2.644 511 V HA 0.189 4.434 4.120 0.208 0.000 0.295 511 V C 0.235 176.326 176.094 -0.006 0.000 1.053 511 V CA -0.550 61.751 62.300 0.002 0.000 0.987 511 V CB 1.019 32.831 31.823 -0.018 0.000 1.006 511 V HN 0.562 nan 8.190 nan 0.000 0.472 512 I N 3.256 123.809 120.570 -0.028 0.000 2.291 512 I HA 0.215 4.510 4.170 0.208 0.000 0.292 512 I C 0.447 176.531 176.117 -0.055 0.000 1.064 512 I CA 0.243 61.507 61.300 -0.059 0.000 1.269 512 I CB 1.001 38.919 38.000 -0.136 0.000 1.418 512 I HN 0.634 nan 8.210 nan 0.000 0.485 513 S N 4.223 119.898 115.700 -0.042 0.000 2.617 513 S HA 0.597 5.192 4.470 0.208 0.000 0.269 513 S C 0.443 175.018 174.600 -0.041 0.000 1.292 513 S CA -0.632 57.545 58.200 -0.039 0.000 1.010 513 S CB 1.814 64.997 63.200 -0.029 0.000 0.944 513 S HN 0.783 nan 8.310 nan 0.000 0.536 514 G N 0.393 109.170 108.800 -0.038 0.000 2.735 514 G HA2 0.545 4.630 3.960 0.208 0.000 0.301 514 G HA3 0.545 4.630 3.960 0.208 0.000 0.301 514 G C -2.256 172.628 174.900 -0.027 0.000 1.279 514 G CA -1.501 43.578 45.100 -0.035 0.000 1.019 514 G HN 0.453 nan 8.290 nan 0.000 0.497 515 P HA -0.028 nan 4.420 nan 0.000 0.216 515 P C 1.608 178.897 177.300 -0.018 0.000 1.153 515 P CA 0.782 63.871 63.100 -0.018 0.000 0.848 515 P CB 0.356 32.046 31.700 -0.016 0.000 0.787 516 E N 0.058 120.245 120.200 -0.021 0.000 2.097 516 E HA -0.221 4.254 4.350 0.208 0.000 0.196 516 E C 1.582 178.168 176.600 -0.024 0.000 1.000 516 E CA 1.260 57.648 56.400 -0.021 0.000 0.804 516 E CB -0.991 28.695 29.700 -0.024 0.000 0.740 516 E HN 0.276 nan 8.360 nan 0.000 0.454 517 D N 0.080 120.462 120.400 -0.030 0.000 2.569 517 D HA -0.254 4.511 4.640 0.208 0.000 0.191 517 D C 1.961 178.242 176.300 -0.031 0.000 1.042 517 D CA 2.247 56.225 54.000 -0.037 0.000 0.873 517 D CB -0.175 40.603 40.800 -0.036 0.000 0.946 517 D HN -0.037 nan 8.370 nan 0.000 0.467 518 R N 0.254 120.742 120.500 -0.020 0.000 2.075 518 R HA 0.092 4.557 4.340 0.208 0.000 0.230 518 R C 2.308 178.606 176.300 -0.004 0.000 1.140 518 R CA 1.470 57.563 56.100 -0.010 0.000 0.928 518 R CB -0.403 29.895 30.300 -0.005 0.000 0.834 518 R HN 0.166 nan 8.270 nan 0.000 0.429 519 R N -0.037 120.461 120.500 -0.003 0.000 2.096 519 R HA -0.114 4.351 4.340 0.208 0.000 0.235 519 R C 2.191 178.498 176.300 0.012 0.000 1.127 519 R CA 1.538 57.641 56.100 0.005 0.000 0.968 519 R CB -0.458 29.844 30.300 0.004 0.000 0.861 519 R HN 0.238 nan 8.270 nan 0.000 0.440 520 L N -0.463 120.762 121.223 0.003 0.000 2.068 520 L HA -0.024 4.441 4.340 0.208 0.000 0.204 520 L C 1.962 178.828 176.870 -0.007 0.000 1.076 520 L CA 1.404 56.247 54.840 0.005 0.000 0.753 520 L CB -0.519 41.534 42.059 -0.010 0.000 0.910 520 L HN -0.202 nan 8.230 nan 0.000 0.439 521 V N 0.052 119.942 119.914 -0.040 0.000 2.469 521 V HA -0.254 3.991 4.120 0.208 0.000 0.251 521 V C 2.690 178.764 176.094 -0.033 0.000 1.064 521 V CA 1.657 63.907 62.300 -0.084 0.000 1.066 521 V CB -0.675 31.082 31.823 -0.111 0.000 0.667 521 V HN 0.438 nan 8.190 nan 0.000 0.461 522 L N 0.476 121.707 121.223 0.013 0.000 2.017 522 L HA -0.094 4.371 4.340 0.208 0.000 0.208 522 L C 2.570 179.502 176.870 0.104 0.000 1.073 522 L CA 2.347 57.221 54.840 0.056 0.000 0.745 522 L CB -1.149 40.936 42.059 0.045 0.000 0.894 522 L HN 0.283 nan 8.230 nan 0.000 0.432 523 A N -1.424 121.463 122.820 0.112 0.000 1.972 523 A HA -0.218 4.227 4.320 0.208 0.000 0.219 523 A C 2.206 180.020 177.584 0.385 0.000 1.169 523 A CA 1.855 54.013 52.037 0.201 0.000 0.635 523 A CB -0.533 18.577 19.000 0.184 0.000 0.810 523 A HN 0.468 nan 8.150 nan 0.000 0.446 524 M N -0.928 118.822 119.600 0.249 0.000 2.595 524 M HA -0.007 4.598 4.480 0.208 0.000 0.248 524 M C 0.945 177.458 176.300 0.356 0.000 1.119 524 M CA 0.650 56.093 55.300 0.238 0.000 1.079 524 M CB 0.091 32.666 32.600 -0.043 0.000 1.472 524 M HN 0.226 nan 8.290 nan 0.000 0.501 525 D N 0.521 121.115 120.400 0.323 0.000 2.349 525 D HA 0.043 4.808 4.640 0.208 0.000 0.214 525 D C 0.762 177.325 176.300 0.439 0.000 1.063 525 D CA 0.188 54.416 54.000 0.379 0.000 0.847 525 D CB 0.271 41.212 40.800 0.236 0.000 0.933 525 D HN 0.171 nan 8.370 nan 0.000 0.513 526 R N 0.861 121.643 120.500 0.469 0.000 4.160 526 R HA 0.017 4.482 4.340 0.208 0.000 0.201 526 R C 1.568 178.193 176.300 0.543 0.000 2.224 526 R CA -0.070 56.281 56.100 0.418 0.000 1.808 526 R CB -0.395 30.066 30.300 0.268 0.000 1.109 526 R HN 0.375 nan 8.270 nan 0.000 0.625 527 I N -0.071 120.818 120.570 0.530 0.000 2.151 527 I HA -0.280 4.014 4.170 0.208 0.000 0.243 527 I C 2.515 178.883 176.117 0.418 0.000 1.080 527 I CA 1.754 63.320 61.300 0.444 0.000 1.339 527 I CB -0.699 37.414 38.000 0.188 0.000 1.039 527 I HN 0.411 nan 8.210 nan 0.000 0.409 528 G N 0.844 109.889 108.800 0.409 0.000 2.476 528 G HA2 -0.345 3.740 3.960 0.208 0.000 0.218 528 G HA3 -0.345 3.740 3.960 0.208 0.000 0.218 528 G C 1.585 176.696 174.900 0.351 0.000 1.164 528 G CA 0.921 46.242 45.100 0.368 0.000 0.768 528 G HN 0.371 nan 8.290 nan 0.000 0.560 529 F N 0.557 120.592 119.950 0.141 0.000 2.046 529 F HA -0.091 4.560 4.527 0.207 0.000 0.297 529 F C 2.349 178.164 175.800 0.025 0.000 1.123 529 F CA 1.642 59.633 58.000 -0.014 0.000 1.199 529 F CB -0.491 38.382 39.000 -0.211 0.000 0.972 529 F HN 0.230 nan 8.300 nan 0.000 0.474 530 W N -0.868 120.407 121.300 -0.041 0.000 2.465 530 W HA -0.104 4.680 4.660 0.207 0.000 0.268 530 W C 2.253 178.725 176.519 -0.078 0.000 1.242 530 W CA 0.838 58.064 57.345 -0.198 0.000 1.248 530 W CB -0.838 28.646 29.460 0.041 0.000 1.118 530 W HN 0.162 nan 8.180 nan 0.000 0.587 531 F N 0.585 120.603 119.950 0.113 0.000 2.558 531 F HA 0.096 4.751 4.527 0.212 0.000 0.298 531 F C 2.139 177.948 175.800 0.015 0.000 1.119 531 F CA 1.127 59.170 58.000 0.071 0.000 1.451 531 F CB -0.104 38.949 39.000 0.088 0.000 1.091 531 F HN -0.134 nan 8.300 nan 0.000 0.563 532 A N 0.053 122.779 122.820 -0.156 0.000 1.874 532 A HA -0.046 4.399 4.320 0.208 0.000 0.214 532 A C 2.120 179.538 177.584 -0.276 0.000 1.189 532 A CA 1.519 53.398 52.037 -0.262 0.000 0.615 532 A CB -1.229 17.683 19.000 -0.148 0.000 0.830 532 A HN 0.210 nan 8.150 nan 0.000 0.443 533 V N 0.307 120.029 119.914 -0.321 0.000 2.469 533 V HA -0.269 3.975 4.120 0.208 0.000 0.251 533 V C 2.921 178.929 176.094 -0.143 0.000 1.064 533 V CA 1.781 63.937 62.300 -0.239 0.000 1.066 533 V CB -1.769 29.898 31.823 -0.259 0.000 0.667 533 V HN 0.575 nan 8.190 nan 0.000 0.461 534 A N 0.766 123.513 122.820 -0.122 0.000 1.859 534 A HA -0.211 4.234 4.320 0.208 0.000 0.217 534 A C 2.431 179.894 177.584 -0.202 0.000 1.198 534 A CA 2.754 54.716 52.037 -0.124 0.000 0.629 534 A CB -1.044 17.916 19.000 -0.066 0.000 0.830 534 A HN 0.685 nan 8.150 nan 0.000 0.446 535 A N -1.131 121.508 122.820 -0.302 0.000 2.066 535 A HA 0.093 4.538 4.320 0.208 0.000 0.218 535 A C 2.076 179.551 177.584 -0.181 0.000 1.157 535 A CA 1.256 53.141 52.037 -0.254 0.000 0.670 535 A CB -0.516 18.307 19.000 -0.295 0.000 0.804 535 A HN 0.488 nan 8.150 nan 0.000 0.453 536 I N -0.327 120.143 120.570 -0.165 0.000 2.202 536 I HA -0.225 4.070 4.170 0.208 0.000 0.242 536 I C 2.321 178.372 176.117 -0.110 0.000 1.091 536 I CA 1.008 62.238 61.300 -0.117 0.000 1.368 536 I CB -0.123 37.816 38.000 -0.101 0.000 1.058 536 I HN 0.284 nan 8.210 nan 0.000 0.410 537 L N -0.243 120.908 121.223 -0.120 0.000 2.131 537 L HA -0.211 4.254 4.340 0.208 0.000 0.210 537 L C 2.488 179.252 176.870 -0.177 0.000 1.092 537 L CA 1.122 55.890 54.840 -0.121 0.000 0.759 537 L CB -0.502 41.492 42.059 -0.108 0.000 0.903 537 L HN 0.159 nan 8.230 nan 0.000 0.435 538 V N -0.881 118.900 119.914 -0.222 0.000 2.270 538 V HA -0.230 4.015 4.120 0.208 0.000 0.245 538 V C 2.457 178.386 176.094 -0.275 0.000 1.043 538 V CA 1.285 63.389 62.300 -0.327 0.000 1.014 538 V CB -0.215 31.352 31.823 -0.426 0.000 0.645 538 V HN 0.142 nan 8.190 nan 0.000 0.447 539 V N 0.282 120.082 119.914 -0.189 0.000 2.231 539 V HA -0.317 3.928 4.120 0.208 0.000 0.248 539 V C 2.350 178.382 176.094 -0.103 0.000 1.054 539 V CA 2.464 64.691 62.300 -0.121 0.000 1.015 539 V CB -0.689 31.092 31.823 -0.070 0.000 0.638 539 V HN 0.487 nan 8.190 nan 0.000 0.444 540 L N -0.378 120.802 121.223 -0.071 0.000 2.351 540 L HA -0.174 4.291 4.340 0.208 0.000 0.220 540 L C 2.281 179.119 176.870 -0.054 0.000 1.127 540 L CA 1.420 56.255 54.840 -0.007 0.000 0.786 540 L CB -0.693 41.390 42.059 0.041 0.000 0.914 540 L HN 0.402 nan 8.230 nan 0.000 0.443 541 A N -1.615 121.093 122.820 -0.186 0.000 1.983 541 A HA 0.041 4.486 4.320 0.208 0.000 0.207 541 A C 1.529 178.802 177.584 -0.518 0.000 1.412 541 A CA 0.088 51.953 52.037 -0.286 0.000 0.750 541 A CB -0.511 18.276 19.000 -0.356 0.000 1.047 541 A HN 0.252 nan 8.150 nan 0.000 0.504 542 Y N 1.390 121.401 120.300 -0.482 0.000 2.488 542 Y HA 0.177 4.852 4.550 0.208 0.000 0.319 542 Y C 2.079 177.806 175.900 -0.290 0.000 1.212 542 Y CA 0.131 57.975 58.100 -0.428 0.000 1.273 542 Y CB -0.152 37.982 38.460 -0.544 0.000 1.074 542 Y HN 0.389 nan 8.280 nan 0.000 0.503 543 G N 0.682 109.335 108.800 -0.246 0.000 2.508 543 G HA2 -0.072 4.013 3.960 0.208 0.000 0.212 543 G HA3 -0.072 4.013 3.960 0.208 0.000 0.212 543 G C -0.817 174.028 174.900 -0.092 0.000 1.206 543 G CA 0.233 45.258 45.100 -0.125 0.000 0.822 543 G HN 0.174 nan 8.290 nan 0.000 0.550 544 P HA 0.172 nan 4.420 nan 0.000 0.245 544 P C 1.345 178.606 177.300 -0.064 0.000 1.212 544 P CA 0.842 63.943 63.100 0.002 0.000 0.774 544 P CB 0.529 32.381 31.700 0.253 0.000 0.999 545 T N -0.337 114.056 114.554 -0.268 0.000 2.852 545 T HA 0.065 4.540 4.350 0.208 0.000 0.256 545 T C 1.643 176.394 174.700 0.085 0.000 1.038 545 T CA 0.773 62.802 62.100 -0.119 0.000 1.141 545 T CB -0.683 68.097 68.868 -0.145 0.000 0.869 545 T HN 0.046 nan 8.240 nan 0.000 0.439 546 L N 0.944 122.263 121.223 0.160 0.000 2.131 546 L HA -0.084 4.381 4.340 0.208 0.000 0.210 546 L C 2.544 179.620 176.870 0.344 0.000 1.092 546 L CA 0.550 55.589 54.840 0.332 0.000 0.759 546 L CB -0.736 41.542 42.059 0.366 0.000 0.903 546 L HN 0.122 nan 8.230 nan 0.000 0.435 547 V N -0.355 119.670 119.914 0.185 0.000 2.217 547 V HA -0.394 3.851 4.120 0.208 0.000 0.248 547 V C 2.565 178.795 176.094 0.226 0.000 1.050 547 V CA 1.947 64.346 62.300 0.165 0.000 1.007 547 V CB -0.456 31.436 31.823 0.115 0.000 0.639 547 V HN 0.519 nan 8.190 nan 0.000 0.452 548 Q N -0.627 119.269 119.800 0.160 0.000 1.954 548 Q HA -0.273 4.192 4.340 0.208 0.000 0.215 548 Q C 2.134 178.215 176.000 0.135 0.000 1.026 548 Q CA 2.459 58.316 55.803 0.089 0.000 0.881 548 Q CB -0.698 28.040 28.738 0.001 0.000 0.977 548 Q HN 0.609 nan 8.270 nan 0.000 0.416 549 L N -0.573 120.719 121.223 0.116 0.000 2.450 549 L HA -0.131 4.334 4.340 0.208 0.000 0.224 549 L C 2.051 178.924 176.870 0.006 0.000 1.149 549 L CA 0.550 55.414 54.840 0.039 0.000 0.816 549 L CB -0.438 41.609 42.059 -0.019 0.000 0.932 549 L HN 0.123 nan 8.230 nan 0.000 0.449 550 F N -0.023 120.019 119.950 0.153 0.000 2.530 550 F HA 0.131 4.783 4.527 0.208 0.000 0.292 550 F C 2.492 178.397 175.800 0.175 0.000 1.109 550 F CA 0.658 58.757 58.000 0.165 0.000 1.450 550 F CB -0.611 38.479 39.000 0.150 0.000 1.114 550 F HN -0.025 nan 8.300 nan 0.000 0.560 551 G N -1.344 107.705 108.800 0.415 0.000 2.535 551 G HA2 -0.195 3.890 3.960 0.208 0.000 0.218 551 G HA3 -0.195 3.890 3.960 0.208 0.000 0.218 551 G C 0.173 175.254 174.900 0.302 0.000 1.122 551 G CA 0.904 46.231 45.100 0.379 0.000 0.769 551 G HN 0.436 nan 8.290 nan 0.000 0.549 552 H N -1.350 117.763 119.070 0.071 0.000 3.064 552 H HA 0.282 4.963 4.556 0.208 0.000 0.232 552 H C 0.299 175.622 175.328 -0.009 0.000 1.308 552 H CA -1.050 55.017 56.048 0.031 0.000 1.010 552 H CB -0.435 29.342 29.762 0.025 0.000 2.408 552 H HN 0.059 nan 8.280 nan 0.000 0.599 553 L N 1.294 122.562 121.223 0.074 0.000 2.573 553 L HA -0.055 4.410 4.340 0.208 0.000 0.290 553 L C 0.514 177.387 176.870 0.005 0.000 1.247 553 L CA 0.768 55.602 54.840 -0.011 0.000 0.876 553 L CB 0.272 42.336 42.059 0.008 0.000 1.123 553 L HN 0.420 nan 8.230 nan 0.000 0.505 554 N N 4.115 122.797 118.700 -0.029 0.000 2.722 554 N HA 0.292 5.157 4.740 0.208 0.000 0.242 554 N C -2.708 172.780 175.510 -0.036 0.000 1.398 554 N CA -1.465 51.577 53.050 -0.014 0.000 0.755 554 N CB 1.188 39.674 38.487 -0.002 0.000 1.268 554 N HN 0.150 nan 8.380 nan 0.000 0.522 555 P HA 0.259 nan 4.420 nan 0.000 0.274 555 P C -0.727 176.561 177.300 -0.020 0.000 1.237 555 P CA -0.298 62.772 63.100 -0.050 0.000 0.793 555 P CB 1.234 32.931 31.700 -0.006 0.000 0.977 556 V N -2.517 117.378 119.914 -0.032 0.000 2.969 556 V HA 0.461 4.705 4.120 0.208 0.000 0.304 556 V C -2.965 173.190 176.094 0.103 0.000 1.192 556 V CA -2.895 59.431 62.300 0.043 0.000 0.962 556 V CB 1.286 33.140 31.823 0.051 0.000 1.045 556 V HN 0.267 nan 8.190 nan 0.000 0.428 557 P HA 0.263 nan 4.420 nan 0.000 0.265 557 P C 0.565 178.069 177.300 0.341 0.000 1.193 557 P CA 0.836 64.053 63.100 0.196 0.000 0.765 557 P CB 0.477 32.204 31.700 0.045 0.000 0.823 558 G N 1.813 110.942 108.800 0.549 0.000 2.594 558 G HA2 0.305 4.390 3.960 0.208 0.000 0.243 558 G HA3 0.305 4.390 3.960 0.208 0.000 0.243 558 G C -1.402 173.732 174.900 0.390 0.000 1.229 558 G CA -0.327 45.231 45.100 0.764 0.000 0.843 558 G HN 0.387 nan 8.290 nan 0.000 0.578 559 W N -0.848 120.617 121.300 0.276 0.000 2.844 559 W HA 0.597 5.381 4.660 0.208 0.000 0.340 559 W C 0.270 176.853 176.519 0.108 0.000 1.093 559 W CA -0.968 56.460 57.345 0.138 0.000 1.212 559 W CB 1.706 31.235 29.460 0.115 0.000 1.422 559 W HN 0.625 nan 8.180 nan 0.000 0.515 560 R N 2.676 123.256 120.500 0.134 0.000 2.387 560 R HA 0.669 5.134 4.340 0.208 0.000 0.314 560 R C -0.963 175.221 176.300 -0.193 0.000 0.958 560 R CA -0.446 55.493 56.100 -0.267 0.000 0.846 560 R CB 0.763 30.658 30.300 -0.674 0.000 1.147 560 R HN 0.821 nan 8.270 nan 0.000 0.447 561 L N 4.149 125.338 121.223 -0.058 0.000 3.358 561 L HA 0.396 4.861 4.340 0.208 0.000 0.301 561 L C -1.115 175.893 176.870 0.230 0.000 1.276 561 L CA -0.588 54.328 54.840 0.128 0.000 1.028 561 L CB 0.097 42.283 42.059 0.212 0.000 1.421 561 L HN 0.726 nan 8.230 nan 0.000 0.604 562 W N 0.000 121.341 121.300 0.068 0.000 2.388 562 W HA 0.000 4.785 4.660 0.209 0.000 0.303 562 W CA 0.000 57.383 57.345 0.063 0.000 1.226 562 W CB 0.000 29.497 29.460 0.061 0.000 1.126 562 W HN 0.000 nan 8.180 nan 0.000 0.535