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 3eh4_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 0.000 174.546 174.600 -0.090 0.000 1.055 6 S CA 0.000 58.151 58.200 -0.082 0.000 1.107 6 S CB 0.000 63.138 63.200 -0.104 0.000 0.593 7 E N 0.395 120.556 120.200 -0.064 0.000 2.423 7 E HA 0.862 5.221 4.350 0.015 0.000 0.269 7 E C -0.119 176.459 176.600 -0.037 0.000 0.948 7 E CA -0.555 55.810 56.400 -0.058 0.000 0.802 7 E CB 1.317 31.007 29.700 -0.017 0.000 1.339 7 E HN 0.175 nan 8.360 nan 0.000 0.445 8 I N -3.214 117.343 120.570 -0.022 0.000 1.478 8 I HA 0.315 4.494 4.170 0.015 0.000 0.341 8 I C 0.139 176.259 176.117 0.005 0.000 0.416 8 I CA -0.623 60.662 61.300 -0.025 0.000 3.280 8 I CB -0.412 37.547 38.000 -0.068 0.000 1.576 8 I HN 0.230 nan 8.210 nan 0.000 0.544 9 S N 1.585 117.292 115.700 0.011 0.000 2.946 9 S HA 0.040 4.519 4.470 0.015 0.000 0.349 9 S C 1.199 175.856 174.600 0.096 0.000 1.189 9 S CA 0.188 58.420 58.200 0.053 0.000 1.285 9 S CB -0.420 62.824 63.200 0.073 0.000 1.010 9 S HN 0.427 nan 8.310 nan 0.000 0.538 10 R N 3.134 123.665 120.500 0.052 0.000 2.226 10 R HA -0.145 4.204 4.340 0.015 0.000 0.246 10 R C 1.988 178.306 176.300 0.031 0.000 1.161 10 R CA 1.612 57.729 56.100 0.028 0.000 0.997 10 R CB -0.627 29.673 30.300 -0.000 0.000 0.870 10 R HN 0.614 nan 8.270 nan 0.000 0.465 11 V N -0.465 119.497 119.914 0.080 0.000 2.231 11 V HA -0.317 3.812 4.120 0.015 0.000 0.248 11 V C 1.659 177.824 176.094 0.119 0.000 1.054 11 V CA 1.923 64.289 62.300 0.110 0.000 1.015 11 V CB -0.709 31.178 31.823 0.106 0.000 0.638 11 V HN 0.293 nan 8.190 nan 0.000 0.444 12 Y N 0.299 120.622 120.300 0.037 0.000 2.639 12 Y HA -0.098 4.462 4.550 0.015 0.000 0.297 12 Y C 2.463 178.363 175.900 0.001 0.000 1.151 12 Y CA 1.179 59.292 58.100 0.023 0.000 1.335 12 Y CB -0.174 38.281 38.460 -0.009 0.000 0.994 12 Y HN 0.394 nan 8.280 nan 0.000 0.548 13 E N -0.437 119.820 120.200 0.095 0.000 2.014 13 E HA -0.115 4.244 4.350 0.015 0.000 0.190 13 E C 2.329 178.890 176.600 -0.065 0.000 0.980 13 E CA 0.790 57.199 56.400 0.014 0.000 0.807 13 E CB -0.199 29.492 29.700 -0.015 0.000 0.770 13 E HN 0.346 nan 8.360 nan 0.000 0.451 14 A N 0.450 123.137 122.820 -0.223 0.000 2.066 14 A HA -0.081 4.248 4.320 0.015 0.000 0.218 14 A C 0.062 177.341 177.584 -0.507 0.000 1.157 14 A CA 0.883 52.658 52.037 -0.436 0.000 0.670 14 A CB -0.143 18.451 19.000 -0.677 0.000 0.804 14 A HN 0.255 nan 8.150 nan 0.000 0.453 15 Y N -1.301 119.019 120.300 0.034 0.000 2.594 15 Y HA 0.385 4.950 4.550 0.026 0.000 0.338 15 Y C -2.279 173.626 175.900 0.008 0.000 1.019 15 Y CA -2.792 55.325 58.100 0.028 0.000 1.306 15 Y CB 1.076 39.550 38.460 0.023 0.000 1.094 15 Y HN 0.086 nan 8.280 nan 0.000 0.534 16 P HA -0.037 nan 4.420 nan 0.000 0.251 16 P C 0.945 178.292 177.300 0.078 0.000 1.223 16 P CA 0.665 63.853 63.100 0.147 0.000 0.796 16 P CB 0.571 32.374 31.700 0.171 0.000 1.068 17 E N 1.324 121.556 120.200 0.054 0.000 2.274 17 E HA -0.162 4.197 4.350 0.015 0.000 0.194 17 E C 1.720 178.207 176.600 -0.188 0.000 0.996 17 E CA 0.725 57.099 56.400 -0.043 0.000 0.840 17 E CB -0.575 29.159 29.700 0.056 0.000 0.772 17 E HN 0.174 nan 8.360 nan 0.000 0.491 18 K N 1.196 121.476 120.400 -0.200 0.000 2.127 18 K HA -0.179 4.150 4.320 0.015 0.000 0.208 18 K C 2.289 178.622 176.600 -0.445 0.000 1.047 18 K CA 1.553 57.567 56.287 -0.455 0.000 0.927 18 K CB 0.012 32.282 32.500 -0.383 0.000 0.716 18 K HN 0.001 nan 8.250 nan 0.000 0.450 19 K N -0.162 120.082 120.400 -0.260 0.000 2.062 19 K HA -0.050 4.279 4.320 0.015 0.000 0.205 19 K C 1.857 178.216 176.600 -0.401 0.000 1.051 19 K CA 1.068 57.278 56.287 -0.128 0.000 0.941 19 K CB -0.045 32.553 32.500 0.164 0.000 0.719 19 K HN 0.169 nan 8.250 nan 0.000 0.440 20 A N 0.499 123.020 122.820 -0.497 0.000 2.121 20 A HA -0.075 4.254 4.320 0.015 0.000 0.218 20 A C 1.919 179.314 177.584 -0.315 0.000 1.154 20 A CA 1.630 53.177 52.037 -0.816 0.000 0.679 20 A CB -0.370 18.150 19.000 -0.800 0.000 0.795 20 A HN 0.329 nan 8.150 nan 0.000 0.458 21 T N -0.027 114.377 114.554 -0.249 0.000 2.818 21 T HA -0.007 4.352 4.350 0.015 0.000 0.246 21 T C 1.819 176.495 174.700 -0.040 0.000 1.036 21 T CA 1.164 63.182 62.100 -0.138 0.000 1.160 21 T CB -0.450 68.127 68.868 -0.485 0.000 0.869 21 T HN 0.527 nan 8.240 nan 0.000 0.419 22 L N -0.243 120.903 121.223 -0.127 0.000 2.450 22 L HA 0.063 4.412 4.340 0.015 0.000 0.224 22 L C 1.965 178.965 176.870 0.216 0.000 1.149 22 L CA 1.288 56.135 54.840 0.011 0.000 0.816 22 L CB -0.687 41.350 42.059 -0.038 0.000 0.932 22 L HN 0.333 nan 8.230 nan 0.000 0.449 23 Y N -0.757 119.489 120.300 -0.089 0.000 2.130 23 Y HA -0.187 4.375 4.550 0.020 0.000 0.287 23 Y C 2.262 178.372 175.900 0.350 0.000 1.124 23 Y CA 1.173 59.207 58.100 -0.110 0.000 1.118 23 Y CB -0.377 37.624 38.460 -0.765 0.000 0.994 23 Y HN 0.110 nan 8.280 nan 0.000 0.497 24 F N -0.083 120.173 119.950 0.510 0.000 2.063 24 F HA -0.365 4.169 4.527 0.012 0.000 0.298 24 F C 2.270 178.254 175.800 0.307 0.000 1.105 24 F CA 1.152 59.402 58.000 0.416 0.000 1.215 24 F CB -0.450 38.674 39.000 0.206 0.000 0.972 24 F HN 0.098 nan 8.300 nan 0.000 0.483 25 L N 0.182 121.663 121.223 0.429 0.000 2.675 25 L HA -0.040 4.309 4.340 0.015 0.000 0.238 25 L C 0.887 177.990 176.870 0.388 0.000 1.155 25 L CA 0.725 55.778 54.840 0.354 0.000 0.881 25 L CB -0.291 41.883 42.059 0.192 0.000 1.008 25 L HN 0.073 nan 8.230 nan 0.000 0.443 26 V N -1.182 118.962 119.914 0.383 0.000 3.480 26 V HA -0.044 4.085 4.120 0.015 0.000 0.263 26 V C 1.611 177.921 176.094 0.360 0.000 1.442 26 V CA 0.196 62.697 62.300 0.335 0.000 1.053 26 V CB 1.050 32.995 31.823 0.202 0.000 0.846 26 V HN 0.274 nan 8.190 nan 0.000 0.440 27 L N 1.732 123.186 121.223 0.385 0.000 2.068 27 L HA 0.260 4.609 4.340 0.015 0.000 0.204 27 L C 2.299 179.351 176.870 0.303 0.000 1.076 27 L CA 2.602 57.635 54.840 0.322 0.000 0.753 27 L CB -1.069 41.142 42.059 0.254 0.000 0.910 27 L HN 0.246 nan 8.230 nan 0.000 0.439 28 G N -0.957 108.052 108.800 0.348 0.000 2.469 28 G HA2 -0.327 3.642 3.960 0.015 0.000 0.220 28 G HA3 -0.327 3.642 3.960 0.015 0.000 0.220 28 G C 1.450 176.545 174.900 0.326 0.000 1.136 28 G CA 1.095 46.374 45.100 0.298 0.000 0.759 28 G HN 0.406 nan 8.290 nan 0.000 0.562 29 F N -0.103 120.039 119.950 0.321 0.000 2.259 29 F HA 0.225 4.762 4.527 0.015 0.000 0.298 29 F C 2.446 178.389 175.800 0.239 0.000 1.088 29 F CA 0.315 58.505 58.000 0.317 0.000 1.358 29 F CB -0.150 39.019 39.000 0.281 0.000 1.040 29 F HN 0.053 nan 8.300 nan 0.000 0.505 30 L N -0.536 120.902 121.223 0.357 0.000 2.017 30 L HA -0.190 4.159 4.340 0.015 0.000 0.208 30 L C 2.586 179.561 176.870 0.175 0.000 1.073 30 L CA 1.547 56.546 54.840 0.266 0.000 0.745 30 L CB -0.694 41.510 42.059 0.242 0.000 0.894 30 L HN 0.102 nan 8.230 nan 0.000 0.432 31 A N -0.715 122.192 122.820 0.145 0.000 1.902 31 A HA -0.237 4.092 4.320 0.015 0.000 0.217 31 A C 2.187 179.786 177.584 0.026 0.000 1.181 31 A CA 1.863 53.945 52.037 0.074 0.000 0.623 31 A CB -0.891 18.142 19.000 0.055 0.000 0.818 31 A HN 0.411 nan 8.150 nan 0.000 0.443 32 L N -0.051 121.164 121.223 -0.013 0.000 2.042 32 L HA -0.167 4.182 4.340 0.015 0.000 0.210 32 L C 2.138 178.955 176.870 -0.088 0.000 1.076 32 L CA 1.689 56.404 54.840 -0.210 0.000 0.749 32 L CB -0.317 41.375 42.059 -0.611 0.000 0.893 32 L HN 0.362 nan 8.230 nan 0.000 0.432 33 I N -0.264 120.333 120.570 0.045 0.000 2.099 33 I HA -0.246 3.933 4.170 0.015 0.000 0.239 33 I C 2.658 178.824 176.117 0.082 0.000 1.066 33 I CA 2.006 63.368 61.300 0.105 0.000 1.324 33 I CB -1.439 36.647 38.000 0.143 0.000 1.037 33 I HN 0.406 nan 8.210 nan 0.000 0.401 34 V N -0.165 119.800 119.914 0.084 0.000 2.515 34 V HA -0.017 4.112 4.120 0.015 0.000 0.250 34 V C 2.430 178.602 176.094 0.130 0.000 1.058 34 V CA 1.727 64.073 62.300 0.076 0.000 1.064 34 V CB -1.705 30.180 31.823 0.103 0.000 0.675 34 V HN 0.358 nan 8.190 nan 0.000 0.461 35 G N 0.790 109.671 108.800 0.136 0.000 2.480 35 G HA2 -0.235 3.734 3.960 0.015 0.000 0.216 35 G HA3 -0.235 3.734 3.960 0.015 0.000 0.216 35 G C 1.659 176.691 174.900 0.219 0.000 1.200 35 G CA 1.224 46.421 45.100 0.162 0.000 0.782 35 G HN 0.601 nan 8.290 nan 0.000 0.554 36 S N 0.740 116.504 115.700 0.106 0.000 2.500 36 S HA 0.039 4.518 4.470 0.015 0.000 0.239 36 S C 2.174 176.888 174.600 0.190 0.000 0.989 36 S CA 0.390 58.703 58.200 0.189 0.000 0.951 36 S CB -0.151 63.163 63.200 0.190 0.000 0.759 36 S HN 0.301 nan 8.310 nan 0.000 0.523 37 L N -0.186 121.101 121.223 0.107 0.000 2.027 37 L HA -0.061 4.288 4.340 0.015 0.000 0.206 37 L C 1.931 178.849 176.870 0.079 0.000 1.074 37 L CA 1.442 56.291 54.840 0.016 0.000 0.745 37 L CB -0.601 41.339 42.059 -0.199 0.000 0.898 37 L HN 0.310 nan 8.230 nan 0.000 0.433 38 F N 0.100 120.147 119.950 0.161 0.000 2.408 38 F HA -0.129 4.406 4.527 0.015 0.000 0.300 38 F C 2.404 178.262 175.800 0.098 0.000 1.090 38 F CA 0.713 58.767 58.000 0.090 0.000 1.427 38 F CB -0.703 38.320 39.000 0.038 0.000 1.070 38 F HN 0.074 nan 8.300 nan 0.000 0.549 39 G N 1.231 110.188 108.800 0.262 0.000 2.552 39 G HA2 -0.226 3.743 3.960 0.015 0.000 0.216 39 G HA3 -0.226 3.743 3.960 0.015 0.000 0.216 39 G C -0.719 174.168 174.900 -0.021 0.000 1.240 39 G CA 0.702 45.815 45.100 0.021 0.000 0.796 39 G HN 0.191 nan 8.290 nan 0.000 0.568 40 P HA -0.053 nan 4.420 nan 0.000 0.221 40 P C 1.241 178.411 177.300 -0.216 0.000 1.145 40 P CA 0.744 63.728 63.100 -0.193 0.000 0.795 40 P CB -0.148 31.372 31.700 -0.300 0.000 0.775 41 F N -0.287 119.625 119.950 -0.064 0.000 2.163 41 F HA -0.104 4.432 4.527 0.015 0.000 0.297 41 F C 2.567 178.497 175.800 0.217 0.000 1.094 41 F CA 1.280 59.249 58.000 -0.051 0.000 1.290 41 F CB -1.052 37.725 39.000 -0.371 0.000 1.017 41 F HN -0.090 nan 8.300 nan 0.000 0.483 42 Q N 0.097 120.092 119.800 0.326 0.000 2.124 42 Q HA -0.168 4.181 4.340 0.015 0.000 0.202 42 Q C 2.508 178.652 176.000 0.240 0.000 0.977 42 Q CA 1.407 57.397 55.803 0.311 0.000 0.850 42 Q CB -0.437 28.338 28.738 0.061 0.000 0.901 42 Q HN 0.446 nan 8.270 nan 0.000 0.429 43 A N 0.737 123.603 122.820 0.077 0.000 1.902 43 A HA -0.149 4.180 4.320 0.015 0.000 0.217 43 A C 2.029 179.654 177.584 0.069 0.000 1.181 43 A CA 1.064 53.118 52.037 0.029 0.000 0.623 43 A CB -0.601 18.355 19.000 -0.074 0.000 0.818 43 A HN 0.291 nan 8.150 nan 0.000 0.443 44 L N -0.396 120.864 121.223 0.061 0.000 2.093 44 L HA -0.181 4.168 4.340 0.015 0.000 0.208 44 L C 2.526 179.451 176.870 0.091 0.000 1.085 44 L CA 1.470 56.338 54.840 0.048 0.000 0.755 44 L CB -0.603 41.472 42.059 0.027 0.000 0.904 44 L HN 0.545 nan 8.230 nan 0.000 0.435 45 N N 0.234 119.034 118.700 0.166 0.000 2.058 45 N HA -0.260 4.489 4.740 0.015 0.000 0.191 45 N C 1.763 177.227 175.510 -0.077 0.000 1.037 45 N CA 1.727 54.826 53.050 0.082 0.000 0.848 45 N CB -0.353 38.213 38.487 0.131 0.000 1.021 45 N HN 0.237 nan 8.380 nan 0.000 0.422 46 Y N -0.700 119.604 120.300 0.007 0.000 2.616 46 Y HA 0.191 4.750 4.550 0.015 0.000 0.296 46 Y C 1.727 177.595 175.900 -0.052 0.000 1.154 46 Y CA 0.754 58.828 58.100 -0.045 0.000 1.325 46 Y CB -0.003 38.413 38.460 -0.072 0.000 1.007 46 Y HN 0.204 nan 8.280 nan 0.000 0.542 47 G N -0.675 108.154 108.800 0.047 0.000 3.820 47 G HA2 0.026 3.995 3.960 0.015 0.000 0.293 47 G HA3 0.026 3.995 3.960 0.015 0.000 0.293 47 G C 0.234 175.128 174.900 -0.011 0.000 1.152 47 G CA -0.231 44.875 45.100 0.010 0.000 0.921 47 G HN 0.451 nan 8.290 nan 0.000 0.544 48 N N -1.100 117.580 118.700 -0.033 0.000 2.725 48 N HA -0.187 4.562 4.740 0.015 0.000 0.249 48 N C -0.616 174.886 175.510 -0.013 0.000 1.103 48 N CA 0.226 53.253 53.050 -0.038 0.000 0.707 48 N CB -0.412 38.055 38.487 -0.034 0.000 1.043 48 N HN 0.145 nan 8.380 nan 0.000 0.553 49 V N 1.089 121.015 119.914 0.020 0.000 2.407 49 V HA 0.176 4.305 4.120 0.015 0.000 0.291 49 V C -0.115 176.052 176.094 0.123 0.000 1.018 49 V CA -0.621 61.708 62.300 0.048 0.000 0.842 49 V CB 1.703 33.544 31.823 0.030 0.000 0.996 49 V HN 0.063 nan 8.190 nan 0.000 0.426 50 D N 4.620 125.098 120.400 0.131 0.000 2.483 50 D HA 0.375 5.024 4.640 0.015 0.000 0.220 50 D C 0.613 177.093 176.300 0.299 0.000 1.173 50 D CA -0.107 54.040 54.000 0.244 0.000 0.964 50 D CB 1.380 42.270 40.800 0.151 0.000 1.046 50 D HN 0.648 nan 8.370 nan 0.000 0.517 51 A N 3.584 126.647 122.820 0.405 0.000 2.640 51 A HA 0.102 4.431 4.320 0.015 0.000 0.282 51 A C 0.377 178.175 177.584 0.355 0.000 1.357 51 A CA -0.267 51.965 52.037 0.326 0.000 0.946 51 A CB -0.291 18.832 19.000 0.205 0.000 1.065 51 A HN 0.508 nan 8.150 nan 0.000 0.541 52 Y N 0.034 120.470 120.300 0.226 0.000 2.436 52 Y HA 0.078 4.637 4.550 0.015 0.000 0.288 52 Y C -0.506 175.442 175.900 0.079 0.000 1.112 52 Y CA 0.311 58.491 58.100 0.133 0.000 1.220 52 Y CB -0.857 37.682 38.460 0.132 0.000 1.073 52 Y HN 0.296 nan 8.280 nan 0.000 0.552 53 P HA -0.292 nan 4.420 nan 0.000 0.219 53 P C 1.957 179.302 177.300 0.076 0.000 1.158 53 P CA 1.556 64.731 63.100 0.125 0.000 0.895 53 P CB 0.011 31.781 31.700 0.117 0.000 0.792 54 L N -1.477 119.801 121.223 0.092 0.000 2.093 54 L HA -0.132 4.217 4.340 0.015 0.000 0.208 54 L C 2.312 179.171 176.870 -0.018 0.000 1.085 54 L CA 1.565 56.452 54.840 0.078 0.000 0.755 54 L CB -1.072 41.082 42.059 0.159 0.000 0.904 54 L HN -0.028 nan 8.230 nan 0.000 0.435 55 L N 0.478 121.588 121.223 -0.187 0.000 2.005 55 L HA -0.200 4.149 4.340 0.015 0.000 0.207 55 L C 2.627 179.356 176.870 -0.236 0.000 1.072 55 L CA 1.775 56.332 54.840 -0.472 0.000 0.744 55 L CB -0.783 40.660 42.059 -1.026 0.000 0.895 55 L HN 0.125 nan 8.230 nan 0.000 0.433 56 K N -0.216 120.115 120.400 -0.115 0.000 2.209 56 K HA -0.223 4.106 4.320 0.015 0.000 0.204 56 K C 2.328 178.918 176.600 -0.016 0.000 1.048 56 K CA 1.326 57.584 56.287 -0.048 0.000 0.940 56 K CB -0.081 32.428 32.500 0.016 0.000 0.729 56 K HN 0.353 nan 8.250 nan 0.000 0.451 57 R N 0.191 120.686 120.500 -0.007 0.000 2.061 57 R HA -0.104 4.245 4.340 0.015 0.000 0.230 57 R C 2.091 178.392 176.300 0.002 0.000 1.140 57 R CA 1.159 57.264 56.100 0.009 0.000 0.940 57 R CB -0.263 30.049 30.300 0.019 0.000 0.839 57 R HN 0.024 nan 8.270 nan 0.000 0.429 58 L N 0.306 121.515 121.223 -0.023 0.000 2.456 58 L HA 0.038 4.387 4.340 0.015 0.000 0.224 58 L C 0.138 176.996 176.870 -0.019 0.000 1.148 58 L CA 1.203 56.029 54.840 -0.023 0.000 0.825 58 L CB -0.016 42.022 42.059 -0.036 0.000 0.937 58 L HN 0.197 nan 8.230 nan 0.000 0.450 59 L N -0.942 120.266 121.223 -0.025 0.000 2.400 59 L HA 0.272 4.621 4.340 0.015 0.000 0.261 59 L C -1.859 175.049 176.870 0.064 0.000 1.554 59 L CA -0.354 54.530 54.840 0.073 0.000 0.774 59 L CB 1.157 43.235 42.059 0.031 0.000 0.964 59 L HN -0.158 nan 8.230 nan 0.000 0.524 60 P HA -0.125 nan 4.420 nan 0.000 0.236 60 P C 1.374 178.742 177.300 0.114 0.000 1.172 60 P CA 0.791 63.936 63.100 0.075 0.000 0.759 60 P CB -0.138 31.611 31.700 0.083 0.000 0.843 61 F N -1.349 118.619 119.950 0.030 0.000 2.367 61 F HA 0.057 4.593 4.527 0.015 0.000 0.298 61 F C 0.470 176.302 175.800 0.054 0.000 1.094 61 F CA -0.042 57.982 58.000 0.041 0.000 1.409 61 F CB -1.301 37.721 39.000 0.038 0.000 1.064 61 F HN -0.395 nan 8.300 nan 0.000 0.528 62 V N 3.576 123.075 119.914 -0.692 0.000 2.493 62 V HA -0.039 4.090 4.120 0.015 0.000 0.292 62 V C 0.861 176.852 176.094 -0.171 0.000 1.016 62 V CA -0.009 61.981 62.300 -0.517 0.000 1.097 62 V CB 0.684 32.273 31.823 -0.391 0.000 0.947 62 V HN 0.409 nan 8.190 nan 0.000 0.479 63 Q N 2.629 122.368 119.800 -0.101 0.000 2.274 63 Q HA 0.133 4.482 4.340 0.015 0.000 0.198 63 Q C 0.919 176.950 176.000 0.053 0.000 0.955 63 Q CA 0.904 56.715 55.803 0.014 0.000 0.859 63 Q CB 0.388 29.167 28.738 0.068 0.000 0.956 63 Q HN 0.887 nan 8.270 nan 0.000 0.516 64 S N -1.105 114.615 115.700 0.033 0.000 2.638 64 S HA 0.291 4.770 4.470 0.015 0.000 0.302 64 S C 0.494 175.043 174.600 -0.084 0.000 1.096 64 S CA -0.757 57.486 58.200 0.072 0.000 0.953 64 S CB 0.843 64.164 63.200 0.202 0.000 1.107 64 S HN 0.278 nan 8.310 nan 0.000 0.503 65 Y N 0.921 120.959 120.300 -0.437 0.000 2.165 65 Y HA -0.244 4.315 4.550 0.015 0.000 0.286 65 Y C 1.577 177.124 175.900 -0.589 0.000 1.155 65 Y CA 1.682 59.225 58.100 -0.929 0.000 1.164 65 Y CB -0.608 36.714 38.460 -1.896 0.000 0.978 65 Y HN 0.762 nan 8.280 nan 0.000 0.513 66 Y N 0.206 120.400 120.300 -0.177 0.000 2.373 66 Y HA -0.188 4.371 4.550 0.015 0.000 0.293 66 Y C 2.755 178.470 175.900 -0.308 0.000 1.129 66 Y CA 1.452 59.443 58.100 -0.182 0.000 1.226 66 Y CB -0.685 37.756 38.460 -0.032 0.000 1.000 66 Y HN 0.240 nan 8.280 nan 0.000 0.549 67 Q N 0.258 119.941 119.800 -0.196 0.000 1.975 67 Q HA -0.171 4.178 4.340 0.015 0.000 0.205 67 Q C 2.628 178.322 176.000 -0.511 0.000 0.990 67 Q CA 1.737 57.360 55.803 -0.300 0.000 0.845 67 Q CB -0.659 27.935 28.738 -0.240 0.000 0.913 67 Q HN 0.554 nan 8.270 nan 0.000 0.420 68 G N 1.003 109.365 108.800 -0.730 0.000 2.475 68 G HA2 -0.285 3.684 3.960 0.015 0.000 0.220 68 G HA3 -0.285 3.684 3.960 0.015 0.000 0.220 68 G C 1.319 175.729 174.900 -0.817 0.000 1.125 68 G CA 0.976 45.275 45.100 -1.335 0.000 0.755 68 G HN 0.357 nan 8.290 nan 0.000 0.565 69 L N 0.913 121.803 121.223 -0.554 0.000 2.093 69 L HA 0.042 4.391 4.340 0.015 0.000 0.208 69 L C 2.965 179.724 176.870 -0.185 0.000 1.085 69 L CA 2.330 56.981 54.840 -0.315 0.000 0.755 69 L CB -0.808 41.087 42.059 -0.274 0.000 0.904 69 L HN 0.190 nan 8.230 nan 0.000 0.435 70 T N -0.223 114.190 114.554 -0.234 0.000 2.720 70 T HA -0.200 4.159 4.350 0.015 0.000 0.268 70 T C 1.938 176.525 174.700 -0.188 0.000 1.037 70 T CA 1.934 63.918 62.100 -0.193 0.000 1.144 70 T CB -0.401 68.306 68.868 -0.267 0.000 0.864 70 T HN 0.277 nan 8.240 nan 0.000 0.444 71 L N -0.161 120.879 121.223 -0.305 0.000 2.017 71 L HA -0.108 4.241 4.340 0.015 0.000 0.208 71 L C 2.546 179.342 176.870 -0.123 0.000 1.073 71 L CA 1.651 56.355 54.840 -0.226 0.000 0.745 71 L CB -0.657 41.209 42.059 -0.322 0.000 0.894 71 L HN 0.291 nan 8.230 nan 0.000 0.432 72 H N -0.020 118.916 119.070 -0.224 0.000 2.252 72 H HA -0.187 4.378 4.556 0.015 0.000 0.292 72 H C 2.066 177.287 175.328 -0.179 0.000 1.082 72 H CA 2.060 58.047 56.048 -0.102 0.000 1.229 72 H CB -0.635 29.081 29.762 -0.077 0.000 1.353 72 H HN 0.257 nan 8.280 nan 0.000 0.488 73 G N -0.083 108.623 108.800 -0.157 0.000 2.672 73 G HA2 -0.343 3.626 3.960 0.015 0.000 0.218 73 G HA3 -0.343 3.626 3.960 0.015 0.000 0.218 73 G C 1.912 176.627 174.900 -0.308 0.000 1.238 73 G CA 2.166 47.019 45.100 -0.413 0.000 0.791 73 G HN 0.400 nan 8.290 nan 0.000 0.606 74 V N 1.123 120.993 119.914 -0.074 0.000 2.231 74 V HA -0.182 3.947 4.120 0.015 0.000 0.248 74 V C 2.952 178.981 176.094 -0.109 0.000 1.054 74 V CA 1.963 64.259 62.300 -0.007 0.000 1.015 74 V CB -0.626 31.244 31.823 0.079 0.000 0.638 74 V HN 0.375 nan 8.190 nan 0.000 0.444 75 L N -0.271 120.879 121.223 -0.122 0.000 2.265 75 L HA -0.152 4.197 4.340 0.015 0.000 0.215 75 L C 2.142 178.916 176.870 -0.159 0.000 1.117 75 L CA 1.595 56.363 54.840 -0.120 0.000 0.782 75 L CB -0.638 41.389 42.059 -0.053 0.000 0.914 75 L HN 0.481 nan 8.230 nan 0.000 0.441 76 N N -0.679 117.854 118.700 -0.279 0.000 2.420 76 N HA 0.027 4.776 4.740 0.015 0.000 0.185 76 N C 1.907 177.186 175.510 -0.385 0.000 1.033 76 N CA 0.788 53.623 53.050 -0.358 0.000 0.879 76 N CB 0.136 38.289 38.487 -0.555 0.000 1.071 76 N HN 0.202 nan 8.380 nan 0.000 0.437 77 A N 1.404 123.912 122.820 -0.519 0.000 1.878 77 A HA 0.094 4.423 4.320 0.015 0.000 0.213 77 A C 2.028 179.233 177.584 -0.631 0.000 1.192 77 A CA 0.577 52.111 52.037 -0.839 0.000 0.619 77 A CB -0.354 18.178 19.000 -0.781 0.000 0.837 77 A HN 0.093 nan 8.150 nan 0.000 0.446 78 I N -0.516 119.956 120.570 -0.164 0.000 2.235 78 I HA -0.116 4.063 4.170 0.015 0.000 0.241 78 I C 2.267 178.421 176.117 0.062 0.000 1.085 78 I CA 1.188 62.538 61.300 0.084 0.000 1.378 78 I CB -0.685 37.403 38.000 0.145 0.000 1.076 78 I HN 0.126 nan 8.210 nan 0.000 0.415 79 V N 0.723 120.597 119.914 -0.067 0.000 2.341 79 V HA -0.194 3.935 4.120 0.015 0.000 0.240 79 V C 2.318 178.471 176.094 0.098 0.000 1.035 79 V CA 1.192 63.461 62.300 -0.052 0.000 1.033 79 V CB -0.777 30.848 31.823 -0.330 0.000 0.678 79 V HN 0.301 nan 8.190 nan 0.000 0.464 80 F N 2.629 122.510 119.950 -0.115 0.000 2.111 80 F HA -0.339 4.198 4.527 0.016 0.000 0.300 80 F C 2.484 178.228 175.800 -0.094 0.000 1.088 80 F CA 2.673 60.585 58.000 -0.146 0.000 1.243 80 F CB -0.734 38.079 39.000 -0.312 0.000 0.996 80 F HN 0.327 nan 8.300 nan 0.000 0.483 81 T N -2.228 112.131 114.554 -0.325 0.000 2.851 81 T HA -0.162 4.197 4.350 0.015 0.000 0.262 81 T C 1.963 176.578 174.700 -0.141 0.000 1.043 81 T CA 1.142 62.980 62.100 -0.437 0.000 1.140 81 T CB -0.748 67.773 68.868 -0.578 0.000 0.872 81 T HN 0.552 nan 8.240 nan 0.000 0.446 82 Q N 0.531 120.401 119.800 0.116 0.000 2.119 82 Q HA 0.008 4.357 4.340 0.015 0.000 0.201 82 Q C 2.340 178.409 176.000 0.115 0.000 0.972 82 Q CA 1.073 57.048 55.803 0.287 0.000 0.847 82 Q CB -0.268 28.767 28.738 0.495 0.000 0.903 82 Q HN 0.599 nan 8.270 nan 0.000 0.433 83 L N -0.510 120.794 121.223 0.135 0.000 2.109 83 L HA -0.120 4.229 4.340 0.015 0.000 0.207 83 L C 2.280 179.140 176.870 -0.016 0.000 1.086 83 L CA 0.687 55.601 54.840 0.124 0.000 0.760 83 L CB -0.452 41.796 42.059 0.315 0.000 0.910 83 L HN 0.239 nan 8.230 nan 0.000 0.437 84 F N 1.013 120.813 119.950 -0.249 0.000 2.269 84 F HA -0.152 4.386 4.527 0.017 0.000 0.301 84 F C 2.294 177.933 175.800 -0.269 0.000 1.082 84 F CA 0.934 58.760 58.000 -0.289 0.000 1.360 84 F CB -0.127 38.532 39.000 -0.569 0.000 1.041 84 F HN -0.016 nan 8.300 nan 0.000 0.512 85 A N -0.037 122.582 122.820 -0.335 0.000 1.872 85 A HA -0.162 4.167 4.320 0.015 0.000 0.214 85 A C 2.127 179.507 177.584 -0.341 0.000 1.187 85 A CA 1.442 53.197 52.037 -0.471 0.000 0.614 85 A CB -0.784 17.824 19.000 -0.655 0.000 0.826 85 A HN 0.518 nan 8.150 nan 0.000 0.442 86 Q N -0.369 119.298 119.800 -0.221 0.000 2.291 86 Q HA -0.041 4.308 4.340 0.015 0.000 0.206 86 Q C 2.250 177.965 176.000 -0.475 0.000 0.976 86 Q CA 0.927 56.555 55.803 -0.292 0.000 0.875 86 Q CB -0.371 27.959 28.738 -0.680 0.000 0.927 86 Q HN 0.700 nan 8.270 nan 0.000 0.450 87 A N 1.384 123.948 122.820 -0.428 0.000 1.819 87 A HA -0.176 4.153 4.320 0.015 0.000 0.215 87 A C 1.897 179.354 177.584 -0.211 0.000 1.226 87 A CA 1.158 53.039 52.037 -0.261 0.000 0.608 87 A CB -0.664 18.209 19.000 -0.211 0.000 0.877 87 A HN 0.239 nan 8.150 nan 0.000 0.452 88 I N -1.315 119.011 120.570 -0.407 0.000 2.248 88 I HA -0.216 3.963 4.170 0.015 0.000 0.248 88 I C 2.314 178.300 176.117 -0.219 0.000 1.107 88 I CA 1.849 62.950 61.300 -0.332 0.000 1.373 88 I CB -1.160 36.472 38.000 -0.614 0.000 1.055 88 I HN 0.299 nan 8.210 nan 0.000 0.418 89 M N -0.817 118.630 119.600 -0.255 0.000 2.495 89 M HA 0.073 4.562 4.480 0.015 0.000 0.237 89 M C 1.612 178.033 176.300 0.201 0.000 1.131 89 M CA 0.525 55.710 55.300 -0.192 0.000 1.032 89 M CB 0.033 32.249 32.600 -0.639 0.000 1.513 89 M HN -0.086 nan 8.290 nan 0.000 0.488 90 V N -1.837 118.175 119.914 0.164 0.000 2.502 90 V HA -0.115 4.014 4.120 0.015 0.000 0.234 90 V C 1.717 177.876 176.094 0.108 0.000 1.072 90 V CA 0.764 63.151 62.300 0.145 0.000 1.094 90 V CB -0.998 30.872 31.823 0.079 0.000 0.761 90 V HN 0.328 nan 8.190 nan 0.000 0.489 91 Y N 0.784 121.064 120.300 -0.033 0.000 2.425 91 Y HA -0.209 4.346 4.550 0.008 0.000 0.285 91 Y C 1.947 177.839 175.900 -0.012 0.000 1.170 91 Y CA 1.225 59.301 58.100 -0.039 0.000 1.304 91 Y CB -0.287 38.131 38.460 -0.070 0.000 0.972 91 Y HN 0.137 nan 8.280 nan 0.000 0.558 92 L N -0.269 120.897 121.223 -0.095 0.000 2.062 92 L HA -0.061 4.288 4.340 0.015 0.000 0.202 92 L C -0.246 176.568 176.870 -0.093 0.000 1.079 92 L CA 0.870 55.642 54.840 -0.115 0.000 0.755 92 L CB -1.736 40.288 42.059 -0.058 0.000 0.913 92 L HN 0.032 nan 8.230 nan 0.000 0.445 93 P HA -0.164 nan 4.420 nan 0.000 0.222 93 P C 1.044 178.314 177.300 -0.051 0.000 1.142 93 P CA 1.395 64.450 63.100 -0.076 0.000 0.788 93 P CB -0.033 31.647 31.700 -0.034 0.000 0.767 94 A N 0.009 122.797 122.820 -0.054 0.000 1.822 94 A HA -0.162 4.167 4.320 0.015 0.000 0.214 94 A C 2.269 179.791 177.584 -0.103 0.000 1.245 94 A CA 1.385 53.397 52.037 -0.042 0.000 0.608 94 A CB -1.191 17.819 19.000 0.017 0.000 0.896 94 A HN -0.082 nan 8.150 nan 0.000 0.457 95 R N 0.105 120.433 120.500 -0.287 0.000 2.153 95 R HA -0.169 4.179 4.340 0.015 0.000 0.252 95 R C 2.093 178.345 176.300 -0.079 0.000 1.158 95 R CA 1.791 57.712 56.100 -0.299 0.000 0.975 95 R CB -0.848 29.106 30.300 -0.577 0.000 0.871 95 R HN 0.809 nan 8.270 nan 0.000 0.450 96 E N 0.006 120.254 120.200 0.080 0.000 2.012 96 E HA -0.162 4.197 4.350 0.015 0.000 0.197 96 E C 1.640 178.269 176.600 0.049 0.000 1.007 96 E CA 1.307 57.813 56.400 0.176 0.000 0.816 96 E CB -0.144 29.568 29.700 0.020 0.000 0.762 96 E HN 0.270 nan 8.360 nan 0.000 0.451 97 L N 0.852 122.065 121.223 -0.017 0.000 2.633 97 L HA -0.092 4.257 4.340 0.015 0.000 0.235 97 L C 0.706 177.669 176.870 0.154 0.000 1.163 97 L CA 0.245 55.096 54.840 0.018 0.000 0.859 97 L CB -0.824 41.208 42.059 -0.045 0.000 0.973 97 L HN 0.312 nan 8.230 nan 0.000 0.451 98 N N 0.830 119.590 118.700 0.100 0.000 2.698 98 N HA -0.236 4.513 4.740 0.015 0.000 0.258 98 N C -0.387 175.219 175.510 0.161 0.000 0.978 98 N CA 0.723 53.844 53.050 0.119 0.000 0.777 98 N CB -0.372 38.193 38.487 0.129 0.000 0.907 98 N HN 0.330 nan 8.380 nan 0.000 0.543 99 M N -0.111 119.576 119.600 0.146 0.000 2.691 99 M HA 0.397 4.886 4.480 0.015 0.000 0.293 99 M C 0.064 176.447 176.300 0.139 0.000 1.259 99 M CA -0.805 54.587 55.300 0.154 0.000 0.827 99 M CB 2.180 34.886 32.600 0.177 0.000 1.753 99 M HN 0.058 nan 8.290 nan 0.000 0.465 100 R N 2.187 122.764 120.500 0.128 0.000 2.288 100 R HA 0.459 4.808 4.340 0.015 0.000 0.326 100 R C -2.495 173.858 176.300 0.088 0.000 0.959 100 R CA -1.603 54.570 56.100 0.122 0.000 0.834 100 R CB 1.001 31.374 30.300 0.122 0.000 1.157 100 R HN 0.295 nan 8.270 nan 0.000 0.470 101 P HA -0.161 nan 4.420 nan 0.000 0.261 101 P C -0.562 176.763 177.300 0.042 0.000 1.173 101 P CA 0.189 63.313 63.100 0.039 0.000 0.760 101 P CB 0.353 32.076 31.700 0.038 0.000 0.783 102 N N 2.935 121.644 118.700 0.014 0.000 1.819 102 N HA -0.189 4.559 4.740 0.015 0.000 0.306 102 N C 1.054 176.612 175.510 0.080 0.000 1.336 102 N CA 0.204 53.275 53.050 0.035 0.000 0.875 102 N CB 0.132 38.613 38.487 -0.009 0.000 1.195 102 N HN 0.290 nan 8.380 nan 0.000 0.493 103 M N 4.191 123.858 119.600 0.112 0.000 2.296 103 M HA 0.036 4.525 4.480 0.015 0.000 0.265 103 M C 1.863 178.331 176.300 0.281 0.000 1.064 103 M CA 1.444 56.847 55.300 0.172 0.000 1.109 103 M CB -0.709 31.999 32.600 0.181 0.000 1.396 103 M HN 0.568 nan 8.290 nan 0.000 0.430 104 G N -0.423 108.512 108.800 0.226 0.000 2.394 104 G HA2 -0.120 3.849 3.960 0.015 0.000 0.214 104 G HA3 -0.120 3.849 3.960 0.015 0.000 0.214 104 G C 1.506 176.568 174.900 0.271 0.000 1.176 104 G CA 0.576 45.828 45.100 0.253 0.000 0.786 104 G HN 0.466 nan 8.290 nan 0.000 0.533 105 L N -0.139 121.202 121.223 0.197 0.000 2.141 105 L HA 0.149 4.498 4.340 0.015 0.000 0.209 105 L C 2.657 179.646 176.870 0.199 0.000 1.094 105 L CA 0.538 55.493 54.840 0.193 0.000 0.763 105 L CB -0.169 41.976 42.059 0.143 0.000 0.908 105 L HN 0.249 nan 8.230 nan 0.000 0.437 106 M N -1.594 118.090 119.600 0.140 0.000 2.696 106 M HA -0.138 4.351 4.480 0.015 0.000 0.220 106 M C 0.794 177.077 176.300 -0.029 0.000 1.133 106 M CA 1.081 56.421 55.300 0.066 0.000 1.016 106 M CB 0.009 32.590 32.600 -0.031 0.000 1.740 106 M HN 0.266 nan 8.290 nan 0.000 0.502 107 W N -1.941 119.472 121.300 0.188 0.000 2.661 107 W HA 0.099 4.765 4.660 0.010 0.000 0.288 107 W C 1.261 177.976 176.519 0.326 0.000 1.014 107 W CA -0.523 56.952 57.345 0.217 0.000 1.396 107 W CB 0.431 30.011 29.460 0.199 0.000 0.963 107 W HN 0.111 nan 8.180 nan 0.000 0.584 108 L N 1.064 122.563 121.223 0.460 0.000 2.376 108 L HA -0.058 4.291 4.340 0.015 0.000 0.219 108 L C 2.390 179.480 176.870 0.366 0.000 1.133 108 L CA 2.136 57.211 54.840 0.390 0.000 0.816 108 L CB -0.697 41.536 42.059 0.290 0.000 0.933 108 L HN -0.032 nan 8.230 nan 0.000 0.449 109 S N -1.486 114.428 115.700 0.356 0.000 2.325 109 S HA -0.250 4.229 4.470 0.015 0.000 0.213 109 S C 1.921 176.699 174.600 0.297 0.000 1.031 109 S CA 0.971 59.391 58.200 0.367 0.000 0.984 109 S CB -1.455 62.066 63.200 0.535 0.000 0.939 109 S HN 0.597 nan 8.310 nan 0.000 0.438 110 W N 1.052 122.275 121.300 -0.129 0.000 2.354 110 W HA -0.030 4.640 4.660 0.017 0.000 0.315 110 W C 2.006 178.481 176.519 -0.073 0.000 1.206 110 W CA 1.607 58.697 57.345 -0.425 0.000 1.290 110 W CB -0.635 28.381 29.460 -0.740 0.000 1.152 110 W HN 0.381 nan 8.180 nan 0.000 0.489 111 W N 0.006 121.666 121.300 0.601 0.000 2.315 111 W HA -0.322 4.346 4.660 0.013 0.000 0.323 111 W C 2.770 179.462 176.519 0.287 0.000 1.233 111 W CA 1.816 59.442 57.345 0.468 0.000 1.267 111 W CB -1.245 28.460 29.460 0.409 0.000 1.160 111 W HN -0.126 nan 8.180 nan 0.000 0.474 112 M N 0.349 120.218 119.600 0.449 0.000 2.163 112 M HA -0.323 4.166 4.480 0.015 0.000 0.258 112 M C 2.350 178.784 176.300 0.222 0.000 1.071 112 M CA 2.740 58.222 55.300 0.302 0.000 1.093 112 M CB -0.732 32.022 32.600 0.256 0.000 1.285 112 M HN 0.069 nan 8.290 nan 0.000 0.420 113 A N -0.207 122.698 122.820 0.141 0.000 1.903 113 A HA -0.269 4.060 4.320 0.015 0.000 0.219 113 A C 1.979 179.691 177.584 0.213 0.000 1.191 113 A CA 2.131 54.232 52.037 0.108 0.000 0.638 113 A CB -1.440 17.540 19.000 -0.033 0.000 0.823 113 A HN 0.692 nan 8.150 nan 0.000 0.451 114 F N -0.270 119.559 119.950 -0.202 0.000 2.011 114 F HA -0.231 4.306 4.527 0.017 0.000 0.296 114 F C 2.136 177.932 175.800 -0.007 0.000 1.144 114 F CA 2.247 60.067 58.000 -0.301 0.000 1.185 114 F CB -0.279 38.330 39.000 -0.651 0.000 0.961 114 F HN 0.217 nan 8.300 nan 0.000 0.485 115 I N 0.198 120.877 120.570 0.182 0.000 2.361 115 I HA -0.182 3.997 4.170 0.015 0.000 0.251 115 I C 2.445 178.583 176.117 0.034 0.000 1.133 115 I CA 1.487 62.830 61.300 0.073 0.000 1.413 115 I CB -0.817 37.323 38.000 0.234 0.000 1.073 115 I HN 0.341 nan 8.210 nan 0.000 0.424 116 G N 0.729 109.598 108.800 0.115 0.000 2.446 116 G HA2 -0.310 3.659 3.960 0.015 0.000 0.217 116 G HA3 -0.310 3.659 3.960 0.015 0.000 0.217 116 G C 1.576 176.505 174.900 0.049 0.000 1.168 116 G CA 1.058 46.236 45.100 0.130 0.000 0.771 116 G HN 0.409 nan 8.290 nan 0.000 0.551 117 L N 1.076 122.321 121.223 0.038 0.000 2.012 117 L HA -0.065 4.284 4.340 0.015 0.000 0.210 117 L C 2.858 179.595 176.870 -0.223 0.000 1.073 117 L CA 1.824 56.557 54.840 -0.179 0.000 0.748 117 L CB -0.704 41.236 42.059 -0.198 0.000 0.891 117 L HN 0.090 nan 8.230 nan 0.000 0.431 118 V N -0.918 118.826 119.914 -0.283 0.000 2.343 118 V HA -0.248 3.881 4.120 0.015 0.000 0.247 118 V C 2.525 178.520 176.094 -0.166 0.000 1.051 118 V CA 1.653 63.787 62.300 -0.276 0.000 1.036 118 V CB -0.842 30.772 31.823 -0.348 0.000 0.654 118 V HN 0.391 nan 8.190 nan 0.000 0.451 119 V N 0.300 120.143 119.914 -0.117 0.000 2.626 119 V HA -0.138 3.991 4.120 0.015 0.000 0.252 119 V C 2.549 178.558 176.094 -0.140 0.000 1.067 119 V CA 1.726 63.963 62.300 -0.104 0.000 1.081 119 V CB -0.876 30.928 31.823 -0.031 0.000 0.686 119 V HN 0.551 nan 8.190 nan 0.000 0.468 120 A N -0.204 122.538 122.820 -0.131 0.000 1.984 120 A HA 0.213 4.542 4.320 0.015 0.000 0.214 120 A C 2.385 179.940 177.584 -0.049 0.000 1.173 120 A CA 1.278 53.253 52.037 -0.103 0.000 0.673 120 A CB -0.456 18.426 19.000 -0.196 0.000 0.830 120 A HN 0.484 nan 8.150 nan 0.000 0.453 121 A N 0.238 122.997 122.820 -0.101 0.000 1.877 121 A HA -0.045 4.284 4.320 0.015 0.000 0.216 121 A C 2.114 179.649 177.584 -0.082 0.000 1.186 121 A CA 1.547 53.532 52.037 -0.085 0.000 0.620 121 A CB -0.657 18.269 19.000 -0.123 0.000 0.822 121 A HN 0.442 nan 8.150 nan 0.000 0.443 122 L N 0.009 121.160 121.223 -0.121 0.000 1.989 122 L HA -0.126 4.223 4.340 0.015 0.000 0.211 122 L C -0.252 176.521 176.870 -0.161 0.000 1.071 122 L CA 1.941 56.699 54.840 -0.137 0.000 0.749 122 L CB -1.407 40.563 42.059 -0.149 0.000 0.890 122 L HN 0.292 nan 8.230 nan 0.000 0.431 123 P HA -0.142 nan 4.420 nan 0.000 0.219 123 P C 1.913 179.156 177.300 -0.095 0.000 1.150 123 P CA 1.393 64.317 63.100 -0.293 0.000 0.814 123 P CB 0.069 31.510 31.700 -0.433 0.000 0.787 124 L N -0.920 120.273 121.223 -0.050 0.000 1.994 124 L HA -0.157 4.192 4.340 0.015 0.000 0.208 124 L C 2.769 179.668 176.870 0.048 0.000 1.071 124 L CA 1.249 56.067 54.840 -0.037 0.000 0.745 124 L CB -1.369 40.682 42.059 -0.013 0.000 0.892 124 L HN -0.135 nan 8.230 nan 0.000 0.431 125 L N -0.233 121.043 121.223 0.087 0.000 2.197 125 L HA -0.210 4.139 4.340 0.015 0.000 0.215 125 L C 1.655 178.687 176.870 0.270 0.000 1.095 125 L CA 1.274 56.239 54.840 0.210 0.000 0.764 125 L CB -0.331 41.705 42.059 -0.039 0.000 0.897 125 L HN 0.290 nan 8.230 nan 0.000 0.436 126 A N -1.483 121.412 122.820 0.125 0.000 2.855 126 A HA 0.193 4.522 4.320 0.015 0.000 0.301 126 A C 0.782 178.445 177.584 0.132 0.000 1.076 126 A CA -0.269 51.845 52.037 0.128 0.000 1.004 126 A CB -0.330 18.706 19.000 0.060 0.000 1.152 126 A HN 0.428 nan 8.150 nan 0.000 0.531 127 N N -0.426 118.359 118.700 0.143 0.000 2.753 127 N HA -0.158 4.591 4.740 0.015 0.000 0.251 127 N C 0.174 175.901 175.510 0.363 0.000 1.097 127 N CA 0.993 54.169 53.050 0.211 0.000 0.786 127 N CB -0.084 38.548 38.487 0.242 0.000 1.137 127 N HN 0.575 nan 8.380 nan 0.000 0.566 128 E N -0.530 119.813 120.200 0.238 0.000 2.474 128 E HA 0.264 4.623 4.350 0.015 0.000 0.195 128 E C 0.706 177.527 176.600 0.368 0.000 1.039 128 E CA 0.515 57.125 56.400 0.350 0.000 0.881 128 E CB 0.596 30.476 29.700 0.300 0.000 0.970 128 E HN 0.479 nan 8.360 nan 0.000 0.486 129 A N 0.396 123.248 122.820 0.054 0.000 2.709 129 A HA 0.151 4.480 4.320 0.015 0.000 0.241 129 A C 0.287 177.442 177.584 -0.715 0.000 0.879 129 A CA -0.377 51.483 52.037 -0.296 0.000 1.120 129 A CB -0.222 18.479 19.000 -0.499 0.000 1.226 129 A HN -0.104 nan 8.150 nan 0.000 0.468 130 T N 2.075 116.072 114.554 -0.927 0.000 4.647 130 T HA 0.215 4.574 4.350 0.015 0.000 0.224 130 T C 1.124 175.176 174.700 -1.079 0.000 0.928 130 T CA 1.108 62.619 62.100 -0.982 0.000 0.969 130 T CB -0.909 67.320 68.868 -1.065 0.000 1.425 130 T HN 0.915 nan 8.240 nan 0.000 1.045 131 V N -0.511 118.939 119.914 -0.772 0.000 3.214 131 V HA 0.464 4.593 4.120 0.015 0.000 0.330 131 V C 0.348 176.265 176.094 -0.294 0.000 1.403 131 V CA -0.806 61.195 62.300 -0.498 0.000 1.143 131 V CB -1.081 30.539 31.823 -0.337 0.000 1.098 131 V HN 0.614 nan 8.190 nan 0.000 0.463 132 L N -1.028 120.033 121.223 -0.269 0.000 0.588 132 L HA -0.252 4.097 4.340 0.015 0.000 0.356 132 L C 1.269 178.067 176.870 -0.121 0.000 0.998 132 L CA 0.681 55.450 54.840 -0.119 0.000 1.223 132 L CB -0.848 41.200 42.059 -0.018 0.000 0.010 132 L HN 0.699 nan 8.230 nan 0.000 0.092 133 Y N -0.137 120.042 120.300 -0.202 0.000 2.736 133 Y HA -0.083 4.476 4.550 0.015 0.000 0.298 133 Y C 1.783 177.361 175.900 -0.537 0.000 1.156 133 Y CA 1.391 59.365 58.100 -0.210 0.000 1.384 133 Y CB -0.886 37.503 38.460 -0.118 0.000 0.976 133 Y HN 0.586 nan 8.280 nan 0.000 0.556 134 T N -3.065 110.907 114.554 -0.971 0.000 3.044 134 T HA 0.142 4.501 4.350 0.015 0.000 0.260 134 T C 0.275 173.915 174.700 -1.766 0.000 1.019 134 T CA -0.087 60.946 62.100 -1.778 0.000 0.921 134 T CB -1.382 66.322 68.868 -1.940 0.000 1.053 134 T HN 0.442 nan 8.240 nan 0.000 0.533 135 F N 0.889 120.535 119.950 -0.507 0.000 2.378 135 F HA -0.193 4.343 4.527 0.015 0.000 0.153 135 F C -0.829 174.847 175.800 -0.207 0.000 1.064 135 F CA -1.471 56.382 58.000 -0.245 0.000 0.788 135 F CB -2.853 36.093 39.000 -0.091 0.000 0.638 135 F HN 0.308 nan 8.300 nan 0.000 0.818 136 Y N 1.849 122.142 120.300 -0.011 0.000 2.404 136 Y HA 0.420 4.980 4.550 0.015 0.000 0.344 136 Y C -1.534 174.451 175.900 0.141 0.000 0.995 136 Y CA -2.614 55.484 58.100 -0.003 0.000 1.201 136 Y CB 0.491 38.917 38.460 -0.057 0.000 1.151 136 Y HN 0.141 nan 8.280 nan 0.000 0.517 137 P HA -0.024 nan 4.420 nan 0.000 0.268 137 P C -1.976 175.436 177.300 0.186 0.000 1.208 137 P CA -0.970 62.257 63.100 0.212 0.000 0.777 137 P CB 0.422 31.954 31.700 -0.280 0.000 0.875 138 P HA -0.032 nan 4.420 nan 0.000 0.223 138 P C 0.004 177.676 177.300 0.619 0.000 1.151 138 P CA 0.722 64.122 63.100 0.500 0.000 0.787 138 P CB -0.035 31.930 31.700 0.442 0.000 0.788 139 L N 0.878 122.392 121.223 0.484 0.000 2.700 139 L HA -0.074 4.275 4.340 0.015 0.000 0.276 139 L C 1.029 178.255 176.870 0.594 0.000 1.200 139 L CA 0.482 55.623 54.840 0.501 0.000 0.951 139 L CB -0.530 41.733 42.059 0.341 0.000 1.226 139 L HN 0.101 nan 8.230 nan 0.000 0.489 140 K N 2.985 123.685 120.400 0.499 0.000 2.318 140 K HA 0.826 5.155 4.320 0.015 0.000 0.249 140 K C -0.374 176.510 176.600 0.474 0.000 0.942 140 K CA -0.713 55.758 56.287 0.306 0.000 0.808 140 K CB 2.259 34.442 32.500 -0.529 0.000 1.189 140 K HN 0.476 nan 8.250 nan 0.000 0.428 141 G N 0.888 110.027 108.800 0.565 0.000 2.630 141 G HA2 0.272 4.241 3.960 0.015 0.000 0.296 141 G HA3 0.272 4.241 3.960 0.015 0.000 0.296 141 G C -1.049 174.138 174.900 0.478 0.000 1.285 141 G CA -0.748 44.654 45.100 0.504 0.000 0.958 141 G HN 0.725 nan 8.290 nan 0.000 0.479 142 H N 0.010 119.234 119.070 0.257 0.000 3.182 142 H HA -0.144 4.421 4.556 0.015 0.000 0.335 142 H C 1.432 176.908 175.328 0.246 0.000 1.091 142 H CA 1.507 57.649 56.048 0.158 0.000 1.313 142 H CB 0.576 30.329 29.762 -0.014 0.000 1.203 142 H HN 0.738 nan 8.280 nan 0.000 0.602 143 W N 2.234 123.681 121.300 0.245 0.000 2.374 143 W HA -0.068 4.601 4.660 0.015 0.000 0.288 143 W C 1.614 178.368 176.519 0.393 0.000 1.218 143 W CA 0.794 58.315 57.345 0.293 0.000 1.245 143 W CB -1.070 28.654 29.460 0.440 0.000 1.126 143 W HN 0.545 nan 8.180 nan 0.000 0.545 144 A N 0.740 123.357 122.820 -0.339 0.000 2.015 144 A HA -0.079 4.250 4.320 0.015 0.000 0.219 144 A C 1.883 179.409 177.584 -0.098 0.000 1.163 144 A CA 1.243 52.963 52.037 -0.529 0.000 0.646 144 A CB -1.163 17.330 19.000 -0.844 0.000 0.806 144 A HN 0.301 nan 8.150 nan 0.000 0.448 145 F N -0.359 119.550 119.950 -0.069 0.000 2.039 145 F HA -0.128 4.408 4.527 0.016 0.000 0.294 145 F C 2.038 177.783 175.800 -0.091 0.000 1.130 145 F CA 1.692 59.630 58.000 -0.105 0.000 1.189 145 F CB -0.601 38.310 39.000 -0.149 0.000 0.983 145 F HN 0.264 nan 8.300 nan 0.000 0.471 146 Y N 0.050 120.328 120.300 -0.036 0.000 2.483 146 Y HA -0.158 4.401 4.550 0.015 0.000 0.291 146 Y C 2.049 177.844 175.900 -0.174 0.000 1.143 146 Y CA 1.079 59.053 58.100 -0.209 0.000 1.289 146 Y CB -0.833 37.576 38.460 -0.085 0.000 0.983 146 Y HN 0.247 nan 8.280 nan 0.000 0.556 147 L N -0.250 121.036 121.223 0.106 0.000 2.034 147 L HA 0.087 4.436 4.340 0.015 0.000 0.203 147 L C 2.486 179.378 176.870 0.036 0.000 1.074 147 L CA 2.032 56.964 54.840 0.152 0.000 0.748 147 L CB -1.226 41.088 42.059 0.425 0.000 0.905 147 L HN 0.143 nan 8.230 nan 0.000 0.439 148 G N -0.637 108.139 108.800 -0.040 0.000 2.545 148 G HA2 -0.343 3.626 3.960 0.015 0.000 0.217 148 G HA3 -0.343 3.626 3.960 0.015 0.000 0.217 148 G C 1.580 176.432 174.900 -0.079 0.000 1.218 148 G CA 1.109 46.169 45.100 -0.067 0.000 0.787 148 G HN 0.649 nan 8.290 nan 0.000 0.571 149 A N -0.028 122.631 122.820 -0.267 0.000 2.024 149 A HA 0.011 4.340 4.320 0.015 0.000 0.220 149 A C 2.616 180.178 177.584 -0.037 0.000 1.164 149 A CA 2.300 54.211 52.037 -0.209 0.000 0.643 149 A CB -0.637 18.066 19.000 -0.495 0.000 0.806 149 A HN 0.406 nan 8.150 nan 0.000 0.451 150 S N -0.716 114.923 115.700 -0.102 0.000 2.355 150 S HA -0.115 4.364 4.470 0.015 0.000 0.222 150 S C 1.935 176.525 174.600 -0.017 0.000 1.031 150 S CA 1.507 59.667 58.200 -0.067 0.000 0.993 150 S CB -0.425 62.731 63.200 -0.073 0.000 0.859 150 S HN 0.341 nan 8.310 nan 0.000 0.453 151 V N 1.561 121.498 119.914 0.039 0.000 2.332 151 V HA -0.147 3.982 4.120 0.015 0.000 0.248 151 V C 1.981 178.132 176.094 0.094 0.000 1.055 151 V CA 2.143 64.486 62.300 0.073 0.000 1.038 151 V CB -0.934 30.958 31.823 0.114 0.000 0.651 151 V HN 0.596 nan 8.190 nan 0.000 0.450 152 F N 0.786 120.735 119.950 -0.001 0.000 2.091 152 F HA -0.224 4.312 4.527 0.016 0.000 0.299 152 F C 2.248 178.089 175.800 0.069 0.000 1.103 152 F CA 2.060 60.079 58.000 0.033 0.000 1.228 152 F CB -0.315 38.684 39.000 -0.001 0.000 0.984 152 F HN -0.043 nan 8.300 nan 0.000 0.477 153 V N 0.634 120.608 119.914 0.099 0.000 2.358 153 V HA -0.299 3.830 4.120 0.015 0.000 0.246 153 V C 2.426 178.466 176.094 -0.090 0.000 1.047 153 V CA 1.942 64.266 62.300 0.040 0.000 1.035 153 V CB -0.722 31.140 31.823 0.066 0.000 0.658 153 V HN 0.370 nan 8.190 nan 0.000 0.452 154 L N 0.581 121.696 121.223 -0.179 0.000 2.187 154 L HA -0.185 4.164 4.340 0.015 0.000 0.213 154 L C 2.727 179.591 176.870 -0.010 0.000 1.100 154 L CA 1.566 56.246 54.840 -0.265 0.000 0.765 154 L CB -0.737 41.176 42.059 -0.243 0.000 0.904 154 L HN 0.507 nan 8.230 nan 0.000 0.437 155 S N 0.105 115.810 115.700 0.010 0.000 2.381 155 S HA -0.325 4.154 4.470 0.015 0.000 0.230 155 S C 2.204 176.896 174.600 0.152 0.000 1.052 155 S CA 2.432 60.678 58.200 0.075 0.000 1.068 155 S CB -0.708 62.470 63.200 -0.037 0.000 0.918 155 S HN 0.650 nan 8.310 nan 0.000 0.448 156 T N -2.599 112.067 114.554 0.187 0.000 2.778 156 T HA -0.158 4.201 4.350 0.015 0.000 0.269 156 T C 1.494 176.425 174.700 0.385 0.000 1.050 156 T CA 1.387 63.708 62.100 0.368 0.000 1.137 156 T CB -0.815 68.528 68.868 0.791 0.000 0.860 156 T HN 0.575 nan 8.240 nan 0.000 0.468 157 W N 1.171 122.556 121.300 0.142 0.000 2.402 157 W HA 0.151 4.820 4.660 0.014 0.000 0.286 157 W C 2.550 179.112 176.519 0.073 0.000 1.221 157 W CA -0.815 56.602 57.345 0.120 0.000 1.257 157 W CB -1.137 28.400 29.460 0.129 0.000 1.120 157 W HN 0.135 nan 8.180 nan 0.000 0.551 158 V N 0.112 120.209 119.914 0.304 0.000 2.324 158 V HA -0.353 3.776 4.120 0.015 0.000 0.250 158 V C 2.334 178.459 176.094 0.051 0.000 1.060 158 V CA 2.363 64.783 62.300 0.200 0.000 1.042 158 V CB -1.190 30.761 31.823 0.213 0.000 0.650 158 V HN 0.061 nan 8.190 nan 0.000 0.450 159 S N -0.115 115.535 115.700 -0.084 0.000 2.356 159 S HA -0.123 4.356 4.470 0.015 0.000 0.223 159 S C 1.849 176.018 174.600 -0.718 0.000 1.032 159 S CA 1.793 59.719 58.200 -0.456 0.000 1.005 159 S CB -0.357 62.413 63.200 -0.717 0.000 0.867 159 S HN 0.535 nan 8.310 nan 0.000 0.449 160 I N 0.375 120.594 120.570 -0.584 0.000 2.118 160 I HA -0.305 3.874 4.170 0.015 0.000 0.241 160 I C 2.254 178.285 176.117 -0.143 0.000 1.070 160 I CA 1.988 63.090 61.300 -0.330 0.000 1.327 160 I CB -0.674 37.327 38.000 0.003 0.000 1.034 160 I HN 0.323 nan 8.210 nan 0.000 0.405 161 Y N 1.933 122.128 120.300 -0.175 0.000 2.034 161 Y HA -0.323 4.239 4.550 0.020 0.000 0.269 161 Y C 2.734 178.590 175.900 -0.073 0.000 1.125 161 Y CA 1.963 59.997 58.100 -0.111 0.000 1.097 161 Y CB -0.228 38.189 38.460 -0.072 0.000 0.978 161 Y HN -0.063 nan 8.280 nan 0.000 0.480 162 I N -0.417 119.919 120.570 -0.390 0.000 2.267 162 I HA -0.515 3.664 4.170 0.015 0.000 0.239 162 I C 2.131 178.094 176.117 -0.258 0.000 0.984 162 I CA 2.259 63.343 61.300 -0.359 0.000 1.272 162 I CB -0.865 37.027 38.000 -0.179 0.000 0.976 162 I HN 0.253 nan 8.210 nan 0.000 0.407 163 V N 0.099 119.892 119.914 -0.201 0.000 2.346 163 V HA -0.201 3.928 4.120 0.015 0.000 0.244 163 V C 2.253 178.375 176.094 0.047 0.000 1.037 163 V CA 1.376 63.633 62.300 -0.072 0.000 1.029 163 V CB -0.379 31.399 31.823 -0.075 0.000 0.663 163 V HN 0.330 nan 8.190 nan 0.000 0.454 164 L N 0.493 121.742 121.223 0.043 0.000 1.997 164 L HA -0.293 4.056 4.340 0.015 0.000 0.216 164 L C 2.583 179.589 176.870 0.227 0.000 1.074 164 L CA 2.400 57.354 54.840 0.191 0.000 0.763 164 L CB -0.699 41.446 42.059 0.143 0.000 0.890 164 L HN 0.567 nan 8.230 nan 0.000 0.434 165 D N 0.603 121.020 120.400 0.029 0.000 2.156 165 D HA -0.260 4.389 4.640 0.015 0.000 0.190 165 D C 2.051 178.368 176.300 0.028 0.000 0.998 165 D CA 2.476 56.436 54.000 -0.067 0.000 0.842 165 D CB -0.114 40.342 40.800 -0.574 0.000 0.974 165 D HN 0.364 nan 8.370 nan 0.000 0.447 166 L N -1.555 119.681 121.223 0.023 0.000 2.551 166 L HA 0.121 4.470 4.340 0.015 0.000 0.228 166 L C 2.173 179.180 176.870 0.228 0.000 1.153 166 L CA 0.616 55.517 54.840 0.102 0.000 0.851 166 L CB -0.678 41.425 42.059 0.073 0.000 0.959 166 L HN 0.187 nan 8.230 nan 0.000 0.451 167 W N 2.625 123.953 121.300 0.048 0.000 2.418 167 W HA -0.117 4.550 4.660 0.011 0.000 0.319 167 W C 2.803 179.421 176.519 0.165 0.000 1.183 167 W CA 2.196 59.597 57.345 0.093 0.000 1.327 167 W CB -0.345 29.150 29.460 0.059 0.000 1.163 167 W HN 0.330 nan 8.180 nan 0.000 0.479 168 R N 0.414 120.925 120.500 0.018 0.000 2.193 168 R HA -0.039 4.310 4.340 0.015 0.000 0.229 168 R C 2.083 178.310 176.300 -0.122 0.000 1.110 168 R CA 1.551 57.513 56.100 -0.230 0.000 0.988 168 R CB -0.793 29.462 30.300 -0.076 0.000 0.871 168 R HN 0.150 nan 8.270 nan 0.000 0.458 169 R N 0.126 120.623 120.500 -0.005 0.000 2.107 169 R HA -0.151 4.197 4.340 0.015 0.000 0.223 169 R C 1.924 178.241 176.300 0.027 0.000 1.138 169 R CA 2.033 58.145 56.100 0.019 0.000 0.900 169 R CB -0.889 29.450 30.300 0.066 0.000 0.814 169 R HN 0.321 nan 8.270 nan 0.000 0.437 170 W N 2.215 123.471 121.300 -0.073 0.000 2.277 170 W HA -0.358 4.302 4.660 0.000 0.000 0.327 170 W C 2.047 178.489 176.519 -0.128 0.000 1.284 170 W CA 1.750 59.059 57.345 -0.060 0.000 1.277 170 W CB -0.099 29.370 29.460 0.015 0.000 1.141 170 W HN 0.005 nan 8.180 nan 0.000 0.482 171 K N -0.101 120.367 120.400 0.114 0.000 2.049 171 K HA -0.319 4.010 4.320 0.015 0.000 0.219 171 K C 2.065 178.529 176.600 -0.227 0.000 1.056 171 K CA 2.264 58.476 56.287 -0.126 0.000 0.946 171 K CB -1.400 30.845 32.500 -0.425 0.000 0.723 171 K HN 0.365 nan 8.250 nan 0.000 0.453 172 A N 0.937 123.638 122.820 -0.198 0.000 1.883 172 A HA -0.147 4.182 4.320 0.015 0.000 0.217 172 A C 2.290 179.750 177.584 -0.206 0.000 1.186 172 A CA 2.438 54.374 52.037 -0.168 0.000 0.624 172 A CB -0.636 18.293 19.000 -0.118 0.000 0.822 172 A HN 0.418 nan 8.150 nan 0.000 0.444 173 A N -1.306 121.352 122.820 -0.270 0.000 2.209 173 A HA 0.038 4.367 4.320 0.015 0.000 0.212 173 A C 0.865 178.200 177.584 -0.415 0.000 1.158 173 A CA 0.731 52.585 52.037 -0.306 0.000 0.742 173 A CB -0.215 18.604 19.000 -0.301 0.000 0.790 173 A HN 0.488 nan 8.150 nan 0.000 0.472 174 N N 0.318 118.709 118.700 -0.514 0.000 2.687 174 N HA 0.211 4.960 4.740 0.015 0.000 0.275 174 N C -3.297 172.022 175.510 -0.318 0.000 1.789 174 N CA -0.693 52.010 53.050 -0.580 0.000 0.806 174 N CB 1.262 38.950 38.487 -1.330 0.000 1.256 174 N HN 0.122 nan 8.380 nan 0.000 0.500 175 P HA 0.277 nan 4.420 nan 0.000 0.281 175 P C 0.979 178.246 177.300 -0.055 0.000 1.252 175 P CA 0.440 63.478 63.100 -0.103 0.000 0.778 175 P CB 1.114 32.761 31.700 -0.089 0.000 0.895 176 G N 1.958 110.751 108.800 -0.012 0.000 2.217 176 G HA2 -0.184 3.785 3.960 0.015 0.000 0.246 176 G HA3 -0.184 3.785 3.960 0.015 0.000 0.246 176 G C -0.119 174.811 174.900 0.050 0.000 0.990 176 G CA -0.345 44.765 45.100 0.016 0.000 0.627 176 G HN 0.538 nan 8.290 nan 0.000 0.522 177 K N 1.675 122.116 120.400 0.069 0.000 2.281 177 K HA 0.586 4.915 4.320 0.015 0.000 0.272 177 K C 0.652 177.412 176.600 0.267 0.000 1.048 177 K CA -0.635 55.739 56.287 0.145 0.000 0.898 177 K CB 2.505 35.083 32.500 0.130 0.000 1.128 177 K HN 0.163 nan 8.250 nan 0.000 0.460 178 V N 2.515 122.549 119.914 0.199 0.000 2.953 178 V HA -0.103 4.026 4.120 0.015 0.000 0.304 178 V C 0.740 176.974 176.094 0.234 0.000 1.138 178 V CA 0.400 62.812 62.300 0.187 0.000 1.266 178 V CB -0.079 31.796 31.823 0.085 0.000 0.923 178 V HN 0.713 nan 8.190 nan 0.000 0.505 179 T N 6.623 121.321 114.554 0.239 0.000 2.829 179 T HA 0.141 4.500 4.350 0.015 0.000 0.293 179 T C -2.008 172.668 174.700 -0.040 0.000 0.970 179 T CA -0.517 61.685 62.100 0.170 0.000 1.168 179 T CB 0.222 69.305 68.868 0.358 0.000 0.911 179 T HN 0.597 nan 8.240 nan 0.000 0.535 180 P HA -0.055 nan 4.420 nan 0.000 0.269 180 P C 0.970 178.152 177.300 -0.196 0.000 1.185 180 P CA -0.300 62.657 63.100 -0.238 0.000 0.769 180 P CB 0.412 31.871 31.700 -0.402 0.000 0.809 181 L N 4.755 125.847 121.223 -0.219 0.000 1.976 181 L HA -0.185 4.164 4.340 0.015 0.000 0.209 181 L C 2.044 178.743 176.870 -0.285 0.000 1.071 181 L CA 1.947 56.646 54.840 -0.236 0.000 0.746 181 L CB -1.148 40.755 42.059 -0.261 0.000 0.890 181 L HN 0.207 nan 8.230 nan 0.000 0.432 182 V N -1.058 118.628 119.914 -0.380 0.000 2.332 182 V HA -0.318 3.811 4.120 0.015 0.000 0.248 182 V C 2.416 178.324 176.094 -0.310 0.000 1.055 182 V CA 2.297 64.361 62.300 -0.393 0.000 1.038 182 V CB -1.494 30.063 31.823 -0.442 0.000 0.651 182 V HN 0.545 nan 8.190 nan 0.000 0.450 183 T N -1.092 113.304 114.554 -0.262 0.000 2.915 183 T HA -0.174 4.185 4.350 0.015 0.000 0.269 183 T C 1.657 176.206 174.700 -0.251 0.000 1.071 183 T CA 1.811 63.776 62.100 -0.224 0.000 1.132 183 T CB -0.313 68.424 68.868 -0.218 0.000 0.878 183 T HN 0.620 nan 8.240 nan 0.000 0.479 184 Y N 1.350 121.453 120.300 -0.329 0.000 2.130 184 Y HA -0.073 4.485 4.550 0.013 0.000 0.287 184 Y C 2.333 178.047 175.900 -0.309 0.000 1.124 184 Y CA 1.175 59.088 58.100 -0.311 0.000 1.118 184 Y CB -0.569 37.747 38.460 -0.240 0.000 0.994 184 Y HN -0.008 nan 8.280 nan 0.000 0.497 185 M N 0.601 119.941 119.600 -0.434 0.000 3.036 185 M HA -0.470 4.019 4.480 0.015 0.000 0.265 185 M C 2.322 178.363 176.300 -0.430 0.000 1.007 185 M CA 3.192 58.021 55.300 -0.784 0.000 1.031 185 M CB -1.068 30.977 32.600 -0.926 0.000 1.317 185 M HN 0.474 nan 8.290 nan 0.000 0.511 186 A N -1.428 121.192 122.820 -0.334 0.000 1.940 186 A HA -0.110 4.219 4.320 0.015 0.000 0.219 186 A C 2.125 179.735 177.584 0.044 0.000 1.176 186 A CA 2.035 53.993 52.037 -0.131 0.000 0.631 186 A CB -1.012 17.943 19.000 -0.075 0.000 0.814 186 A HN 0.433 nan 8.150 nan 0.000 0.446 187 V N 0.182 119.973 119.914 -0.204 0.000 2.379 187 V HA -0.191 3.938 4.120 0.015 0.000 0.245 187 V C 2.649 178.635 176.094 -0.180 0.000 1.044 187 V CA 1.821 63.958 62.300 -0.271 0.000 1.036 187 V CB -0.800 30.552 31.823 -0.785 0.000 0.664 187 V HN 0.524 nan 8.190 nan 0.000 0.453 188 V N -1.740 118.001 119.914 -0.287 0.000 2.515 188 V HA -0.212 3.917 4.120 0.015 0.000 0.250 188 V C 2.219 178.403 176.094 0.149 0.000 1.058 188 V CA 1.806 64.051 62.300 -0.092 0.000 1.064 188 V CB -1.254 30.458 31.823 -0.185 0.000 0.675 188 V HN 0.422 nan 8.190 nan 0.000 0.461 189 F N 0.918 120.891 119.950 0.038 0.000 2.000 189 F HA -0.188 4.349 4.527 0.016 0.000 0.296 189 F C 2.207 178.094 175.800 0.145 0.000 1.159 189 F CA 2.041 60.069 58.000 0.048 0.000 1.183 189 F CB -0.743 38.157 39.000 -0.167 0.000 0.959 189 F HN 0.142 nan 8.300 nan 0.000 0.490 190 W N 0.561 122.040 121.300 0.297 0.000 2.325 190 W HA -0.232 4.436 4.660 0.013 0.000 0.299 190 W C 2.435 179.080 176.519 0.211 0.000 1.215 190 W CA 0.913 58.417 57.345 0.264 0.000 1.244 190 W CB -0.463 29.166 29.460 0.282 0.000 1.140 190 W HN 0.159 nan 8.180 nan 0.000 0.523 191 L N -0.501 120.940 121.223 0.364 0.000 1.988 191 L HA -0.300 4.049 4.340 0.015 0.000 0.207 191 L C 2.705 179.856 176.870 0.468 0.000 1.071 191 L CA 1.194 56.184 54.840 0.251 0.000 0.744 191 L CB -1.003 41.055 42.059 -0.001 0.000 0.893 191 L HN 0.059 nan 8.230 nan 0.000 0.433 192 M N -0.474 119.350 119.600 0.372 0.000 2.103 192 M HA -0.360 4.129 4.480 0.015 0.000 0.255 192 M C 2.256 178.756 176.300 0.332 0.000 1.074 192 M CA 2.251 57.742 55.300 0.319 0.000 1.090 192 M CB -0.832 31.899 32.600 0.218 0.000 1.325 192 M HN 0.523 nan 8.290 nan 0.000 0.403 193 W N 0.334 121.693 121.300 0.098 0.000 2.402 193 W HA -0.289 4.379 4.660 0.014 0.000 0.286 193 W C 2.080 178.750 176.519 0.251 0.000 1.221 193 W CA 1.137 58.535 57.345 0.089 0.000 1.257 193 W CB -0.632 28.847 29.460 0.032 0.000 1.120 193 W HN 0.328 nan 8.180 nan 0.000 0.551 194 F N 1.459 121.510 119.950 0.167 0.000 2.102 194 F HA -0.247 4.289 4.527 0.016 0.000 0.298 194 F C 2.169 178.022 175.800 0.089 0.000 1.105 194 F CA 1.949 60.000 58.000 0.084 0.000 1.239 194 F CB -0.937 38.102 39.000 0.065 0.000 0.991 194 F HN -0.195 nan 8.300 nan 0.000 0.474 195 L N 0.034 121.330 121.223 0.121 0.000 2.456 195 L HA -0.003 4.346 4.340 0.015 0.000 0.224 195 L C 2.061 178.996 176.870 0.108 0.000 1.148 195 L CA 1.451 56.344 54.840 0.088 0.000 0.825 195 L CB -0.639 41.574 42.059 0.256 0.000 0.937 195 L HN 0.301 nan 8.230 nan 0.000 0.450 196 A N -2.913 119.899 122.820 -0.014 0.000 2.085 196 A HA 0.086 4.415 4.320 0.015 0.000 0.208 196 A C 2.208 179.598 177.584 -0.324 0.000 1.191 196 A CA 0.699 52.761 52.037 0.042 0.000 0.799 196 A CB -0.138 18.932 19.000 0.117 0.000 0.877 196 A HN 0.279 nan 8.150 nan 0.000 0.473 197 S N 0.596 115.822 115.700 -0.790 0.000 2.555 197 S HA 0.034 4.513 4.470 0.015 0.000 0.230 197 S C 1.663 175.892 174.600 -0.618 0.000 0.978 197 S CA 0.368 58.001 58.200 -0.944 0.000 0.934 197 S CB -0.419 62.105 63.200 -1.127 0.000 0.766 197 S HN 0.504 nan 8.310 nan 0.000 0.533 198 L N 1.084 121.969 121.223 -0.564 0.000 1.997 198 L HA -0.215 4.134 4.340 0.015 0.000 0.216 198 L C 2.717 179.071 176.870 -0.860 0.000 1.074 198 L CA 1.718 56.157 54.840 -0.667 0.000 0.763 198 L CB -1.636 40.022 42.059 -0.668 0.000 0.890 198 L HN 0.436 nan 8.230 nan 0.000 0.434 199 G N 0.278 108.357 108.800 -1.202 0.000 2.604 199 G HA2 -0.328 3.641 3.960 0.015 0.000 0.216 199 G HA3 -0.328 3.641 3.960 0.015 0.000 0.216 199 G C 1.442 176.106 174.900 -0.394 0.000 1.265 199 G CA 0.849 45.448 45.100 -0.835 0.000 0.804 199 G HN 0.252 nan 8.290 nan 0.000 0.579 200 L N 0.584 121.626 121.223 -0.302 0.000 2.283 200 L HA -0.109 4.240 4.340 0.015 0.000 0.217 200 L C 2.731 179.484 176.870 -0.195 0.000 1.104 200 L CA 1.351 56.091 54.840 -0.168 0.000 0.772 200 L CB -0.187 41.779 42.059 -0.154 0.000 0.899 200 L HN 0.119 nan 8.230 nan 0.000 0.439 201 V N -1.679 118.051 119.914 -0.308 0.000 2.426 201 V HA -0.162 3.967 4.120 0.015 0.000 0.242 201 V C 2.339 178.311 176.094 -0.204 0.000 1.036 201 V CA 1.035 63.163 62.300 -0.286 0.000 1.044 201 V CB -0.245 31.326 31.823 -0.420 0.000 0.688 201 V HN 0.307 nan 8.190 nan 0.000 0.462 202 L N 0.191 121.274 121.223 -0.234 0.000 1.951 202 L HA -0.302 4.047 4.340 0.015 0.000 0.222 202 L C 2.688 179.549 176.870 -0.015 0.000 1.078 202 L CA 2.509 57.259 54.840 -0.149 0.000 0.778 202 L CB -0.813 41.125 42.059 -0.201 0.000 0.893 202 L HN 0.440 nan 8.230 nan 0.000 0.436 203 E N -0.080 120.155 120.200 0.058 0.000 2.147 203 E HA -0.294 4.065 4.350 0.015 0.000 0.199 203 E C 1.998 178.674 176.600 0.126 0.000 1.005 203 E CA 1.569 58.098 56.400 0.215 0.000 0.810 203 E CB 0.078 29.881 29.700 0.172 0.000 0.736 203 E HN 0.520 nan 8.360 nan 0.000 0.460 204 A N 0.436 123.259 122.820 0.004 0.000 1.832 204 A HA -0.101 4.228 4.320 0.015 0.000 0.214 204 A C 2.428 179.975 177.584 -0.062 0.000 1.204 204 A CA 1.375 53.391 52.037 -0.035 0.000 0.606 204 A CB -0.913 18.034 19.000 -0.087 0.000 0.849 204 A HN 0.176 nan 8.150 nan 0.000 0.445 205 V N 0.557 120.419 119.914 -0.086 0.000 2.217 205 V HA -0.325 3.804 4.120 0.015 0.000 0.248 205 V C 2.583 178.590 176.094 -0.146 0.000 1.050 205 V CA 2.343 64.586 62.300 -0.095 0.000 1.007 205 V CB -1.028 30.738 31.823 -0.094 0.000 0.639 205 V HN 0.587 nan 8.190 nan 0.000 0.452 206 L N -1.921 119.167 121.223 -0.225 0.000 2.187 206 L HA -0.159 4.190 4.340 0.015 0.000 0.213 206 L C 2.023 178.437 176.870 -0.761 0.000 1.100 206 L CA 1.700 56.228 54.840 -0.519 0.000 0.765 206 L CB -0.407 41.242 42.059 -0.682 0.000 0.904 206 L HN 0.363 nan 8.230 nan 0.000 0.437 207 F N -2.567 117.362 119.950 -0.035 0.000 2.102 207 F HA 0.131 4.667 4.527 0.015 0.000 0.254 207 F C 1.916 177.680 175.800 -0.059 0.000 0.975 207 F CA -0.336 57.619 58.000 -0.074 0.000 1.176 207 F CB -0.391 38.524 39.000 -0.141 0.000 1.358 207 F HN -0.326 nan 8.300 nan 0.000 0.728 208 L N 0.562 121.859 121.223 0.125 0.000 2.081 208 L HA -0.218 4.131 4.340 0.015 0.000 0.212 208 L C 2.062 178.854 176.870 -0.130 0.000 1.080 208 L CA 1.537 56.392 54.840 0.026 0.000 0.754 208 L CB -0.722 41.403 42.059 0.110 0.000 0.893 208 L HN 0.256 nan 8.230 nan 0.000 0.433 209 L N -1.230 119.888 121.223 -0.176 0.000 2.127 209 L HA -0.023 4.326 4.340 0.015 0.000 0.203 209 L C -0.219 176.388 176.870 -0.437 0.000 1.080 209 L CA 0.698 55.244 54.840 -0.490 0.000 0.768 209 L CB -1.582 40.201 42.059 -0.460 0.000 0.924 209 L HN 0.112 nan 8.230 nan 0.000 0.444 210 P HA -0.224 nan 4.420 nan 0.000 0.215 210 P C 1.138 178.515 177.300 0.129 0.000 1.157 210 P CA 1.376 64.509 63.100 0.055 0.000 0.868 210 P CB -0.096 31.633 31.700 0.048 0.000 0.788 211 W N 0.853 122.098 121.300 -0.092 0.000 2.358 211 W HA -0.151 4.517 4.660 0.015 0.000 0.303 211 W C 2.523 178.980 176.519 -0.104 0.000 1.208 211 W CA 2.468 59.768 57.345 -0.076 0.000 1.274 211 W CB -1.026 28.384 29.460 -0.084 0.000 1.138 211 W HN -0.000 nan 8.180 nan 0.000 0.515 212 S N -1.711 113.901 115.700 -0.147 0.000 2.458 212 S HA -0.031 4.448 4.470 0.015 0.000 0.223 212 S C 1.970 176.595 174.600 0.041 0.000 1.019 212 S CA 0.569 58.628 58.200 -0.235 0.000 0.937 212 S CB -1.180 61.832 63.200 -0.314 0.000 0.788 212 S HN 0.295 nan 8.310 nan 0.000 0.511 213 F N 1.848 121.810 119.950 0.020 0.000 2.128 213 F HA 0.239 4.774 4.527 0.015 0.000 0.295 213 F C 2.427 178.176 175.800 -0.084 0.000 1.100 213 F CA 0.596 58.576 58.000 -0.033 0.000 1.260 213 F CB -0.001 38.971 39.000 -0.046 0.000 1.009 213 F HN 0.561 nan 8.300 nan 0.000 0.476 214 G N -1.633 107.253 108.800 0.144 0.000 3.509 214 G HA2 -0.112 3.857 3.960 0.015 0.000 0.220 214 G HA3 -0.112 3.857 3.960 0.015 0.000 0.220 214 G C 0.634 175.566 174.900 0.053 0.000 0.951 214 G CA -0.213 44.913 45.100 0.044 0.000 0.844 214 G HN 0.007 nan 8.290 nan 0.000 0.568 215 L N 1.624 122.904 121.223 0.095 0.000 2.552 215 L HA 0.342 4.691 4.340 0.015 0.000 0.227 215 L C 1.143 178.066 176.870 0.088 0.000 1.146 215 L CA 0.748 55.636 54.840 0.079 0.000 0.858 215 L CB -1.678 40.432 42.059 0.086 0.000 0.969 215 L HN 0.465 nan 8.230 nan 0.000 0.451 216 V N -3.989 116.001 119.914 0.128 0.000 3.078 216 V HA 0.549 4.678 4.120 0.015 0.000 0.311 216 V C 0.675 176.886 176.094 0.194 0.000 1.138 216 V CA -0.811 61.587 62.300 0.163 0.000 1.007 216 V CB 2.457 34.402 31.823 0.204 0.000 1.045 216 V HN -0.085 nan 8.190 nan 0.000 0.432 217 E N 0.877 121.187 120.200 0.183 0.000 2.472 217 E HA 0.482 4.841 4.350 0.015 0.000 0.196 217 E C 0.500 177.287 176.600 0.312 0.000 1.033 217 E CA 0.989 57.482 56.400 0.155 0.000 0.886 217 E CB 0.463 30.213 29.700 0.082 0.000 0.944 217 E HN 1.215 nan 8.360 nan 0.000 0.492 218 G N -1.051 108.025 108.800 0.460 0.000 2.673 218 G HA2 0.471 4.440 3.960 0.015 0.000 0.292 218 G HA3 0.471 4.440 3.960 0.015 0.000 0.292 218 G C -1.663 173.261 174.900 0.040 0.000 1.450 218 G CA -0.586 44.816 45.100 0.504 0.000 0.837 218 G HN -0.033 nan 8.290 nan 0.000 0.505 219 V N 0.787 120.465 119.914 -0.393 0.000 2.715 219 V HA 0.457 4.586 4.120 0.015 0.000 0.310 219 V C -0.637 175.245 176.094 -0.353 0.000 1.054 219 V CA -0.747 61.182 62.300 -0.618 0.000 0.928 219 V CB 1.961 32.980 31.823 -1.339 0.000 1.007 219 V HN 0.802 nan 8.190 nan 0.000 0.437 220 D N 5.753 125.941 120.400 -0.353 0.000 2.343 220 D HA 0.200 4.849 4.640 0.015 0.000 0.255 220 D C -1.348 174.761 176.300 -0.318 0.000 1.187 220 D CA -1.754 52.079 54.000 -0.278 0.000 0.875 220 D CB 1.940 42.576 40.800 -0.273 0.000 1.136 220 D HN 0.225 nan 8.370 nan 0.000 0.469 221 P HA -0.140 nan 4.420 nan 0.000 0.218 221 P C 1.737 178.949 177.300 -0.147 0.000 1.152 221 P CA 0.072 63.083 63.100 -0.149 0.000 0.826 221 P CB 0.411 32.064 31.700 -0.078 0.000 0.790 222 L N 1.131 122.265 121.223 -0.148 0.000 1.971 222 L HA -0.144 4.205 4.340 0.015 0.000 0.215 222 L C 2.637 179.404 176.870 -0.170 0.000 1.072 222 L CA 2.108 56.864 54.840 -0.140 0.000 0.758 222 L CB -1.701 40.277 42.059 -0.135 0.000 0.889 222 L HN -0.072 nan 8.230 nan 0.000 0.433 223 V N -1.171 118.575 119.914 -0.280 0.000 2.307 223 V HA -0.132 3.997 4.120 0.015 0.000 0.245 223 V C 2.515 178.410 176.094 -0.332 0.000 1.045 223 V CA 1.743 63.814 62.300 -0.382 0.000 1.024 223 V CB -1.372 30.055 31.823 -0.662 0.000 0.651 223 V HN 0.482 nan 8.190 nan 0.000 0.449 224 A N 1.595 124.173 122.820 -0.403 0.000 1.958 224 A HA -0.304 4.024 4.320 0.015 0.000 0.221 224 A C 2.521 180.119 177.584 0.023 0.000 1.178 224 A CA 2.775 54.679 52.037 -0.222 0.000 0.642 224 A CB -0.767 18.091 19.000 -0.237 0.000 0.816 224 A HN 0.833 nan 8.150 nan 0.000 0.453 225 R N -1.657 118.870 120.500 0.045 0.000 2.112 225 R HA -0.010 4.339 4.340 0.015 0.000 0.216 225 R C 1.536 178.008 176.300 0.286 0.000 1.080 225 R CA 1.616 57.854 56.100 0.229 0.000 0.996 225 R CB -0.915 29.495 30.300 0.184 0.000 0.902 225 R HN 0.278 nan 8.270 nan 0.000 0.449 226 T N 1.374 116.003 114.554 0.125 0.000 3.051 226 T HA 0.041 4.400 4.350 0.015 0.000 0.269 226 T C 1.602 176.383 174.700 0.136 0.000 1.127 226 T CA 0.853 63.051 62.100 0.163 0.000 1.107 226 T CB 0.015 68.915 68.868 0.055 0.000 0.898 226 T HN 0.163 nan 8.240 nan 0.000 0.517 227 L N -0.745 120.525 121.223 0.077 0.000 2.189 227 L HA 0.237 4.586 4.340 0.015 0.000 0.199 227 L C 2.035 178.960 176.870 0.092 0.000 1.074 227 L CA 0.476 55.341 54.840 0.042 0.000 0.783 227 L CB -0.464 41.588 42.059 -0.012 0.000 0.955 227 L HN 0.159 nan 8.230 nan 0.000 0.460 228 F N 0.057 119.995 119.950 -0.020 0.000 2.141 228 F HA -0.322 4.215 4.527 0.015 0.000 0.300 228 F C 1.812 177.483 175.800 -0.214 0.000 1.079 228 F CA 1.865 59.781 58.000 -0.141 0.000 1.264 228 F CB -0.303 38.557 39.000 -0.234 0.000 1.011 228 F HN 0.042 nan 8.300 nan 0.000 0.487 229 W N -0.872 120.508 121.300 0.133 0.000 2.658 229 W HA -0.073 4.596 4.660 0.015 0.000 0.263 229 W C 2.270 178.843 176.519 0.089 0.000 1.274 229 W CA 0.458 57.819 57.345 0.026 0.000 1.343 229 W CB -0.787 28.786 29.460 0.189 0.000 1.106 229 W HN 0.211 nan 8.180 nan 0.000 0.615 230 W N 1.400 122.746 121.300 0.077 0.000 2.280 230 W HA -0.331 4.337 4.660 0.014 0.000 0.332 230 W C 1.611 178.137 176.519 0.012 0.000 1.300 230 W CA 2.950 60.288 57.345 -0.010 0.000 1.274 230 W CB -1.228 28.006 29.460 -0.378 0.000 1.141 230 W HN -0.214 nan 8.180 nan 0.000 0.474 231 T N -0.133 114.538 114.554 0.195 0.000 2.814 231 T HA 0.028 4.387 4.350 0.015 0.000 0.254 231 T C 1.937 176.565 174.700 -0.120 0.000 1.037 231 T CA 1.949 64.057 62.100 0.013 0.000 1.143 231 T CB -1.138 67.597 68.868 -0.222 0.000 0.866 231 T HN 0.277 nan 8.240 nan 0.000 0.431 232 G N 0.792 109.286 108.800 -0.510 0.000 2.656 232 G HA2 -0.394 3.575 3.960 0.015 0.000 0.223 232 G HA3 -0.394 3.575 3.960 0.015 0.000 0.223 232 G C 1.251 176.108 174.900 -0.073 0.000 1.130 232 G CA 2.134 46.808 45.100 -0.709 0.000 0.758 232 G HN 0.610 nan 8.290 nan 0.000 0.608 233 H N 1.756 120.912 119.070 0.143 0.000 2.260 233 H HA 0.012 4.577 4.556 0.015 0.000 0.304 233 H C 0.290 175.707 175.328 0.149 0.000 1.059 233 H CA 1.862 58.029 56.048 0.197 0.000 1.305 233 H CB -0.557 29.367 29.762 0.271 0.000 1.388 233 H HN 0.243 nan 8.280 nan 0.000 0.496 234 P HA -0.202 nan 4.420 nan 0.000 0.217 234 P C 1.810 179.137 177.300 0.045 0.000 1.148 234 P CA 1.439 64.724 63.100 0.308 0.000 0.834 234 P CB -0.163 31.735 31.700 0.331 0.000 0.783 235 I N 0.070 120.595 120.570 -0.075 0.000 2.502 235 I HA -0.204 3.975 4.170 0.015 0.000 0.258 235 I C 2.063 177.481 176.117 -1.165 0.000 1.172 235 I CA 1.357 62.408 61.300 -0.414 0.000 1.430 235 I CB 0.005 37.805 38.000 -0.334 0.000 1.086 235 I HN -0.121 nan 8.210 nan 0.000 0.440 236 V N -1.928 117.284 119.914 -1.170 0.000 2.446 236 V HA -0.218 3.911 4.120 0.015 0.000 0.244 236 V C 2.228 177.864 176.094 -0.763 0.000 1.039 236 V CA 0.904 62.434 62.300 -1.285 0.000 1.045 236 V CB -1.449 29.817 31.823 -0.929 0.000 0.681 236 V HN 0.296 nan 8.190 nan 0.000 0.459 237 Y N 0.422 120.477 120.300 -0.408 0.000 2.315 237 Y HA -0.079 4.480 4.550 0.014 0.000 0.288 237 Y C 2.326 178.059 175.900 -0.278 0.000 1.154 237 Y CA 1.776 59.668 58.100 -0.347 0.000 1.229 237 Y CB -1.038 37.276 38.460 -0.242 0.000 0.980 237 Y HN 0.358 nan 8.280 nan 0.000 0.540 238 F N -0.576 119.167 119.950 -0.346 0.000 2.146 238 F HA -0.226 4.310 4.527 0.015 0.000 0.298 238 F C 1.551 177.262 175.800 -0.148 0.000 1.096 238 F CA 1.320 59.073 58.000 -0.412 0.000 1.275 238 F CB -0.229 38.296 39.000 -0.793 0.000 1.008 238 F HN -0.014 nan 8.300 nan 0.000 0.480 239 W N -0.225 120.966 121.300 -0.181 0.000 2.584 239 W HA 0.012 4.680 4.660 0.014 0.000 0.264 239 W C 1.939 178.329 176.519 -0.216 0.000 1.264 239 W CA 0.115 57.321 57.345 -0.231 0.000 1.306 239 W CB -1.355 28.036 29.460 -0.115 0.000 1.110 239 W HN 0.165 nan 8.180 nan 0.000 0.606 240 L N 0.245 121.418 121.223 -0.084 0.000 2.049 240 L HA -0.044 4.305 4.340 0.015 0.000 0.203 240 L C 2.162 178.850 176.870 -0.302 0.000 1.074 240 L CA 1.628 56.317 54.840 -0.252 0.000 0.749 240 L CB -1.153 40.650 42.059 -0.427 0.000 0.907 240 L HN -0.236 nan 8.230 nan 0.000 0.439 241 L N 0.462 121.525 121.223 -0.268 0.000 2.131 241 L HA -0.088 4.261 4.340 0.015 0.000 0.210 241 L C -0.598 176.223 176.870 -0.082 0.000 1.092 241 L CA 1.753 56.486 54.840 -0.178 0.000 0.759 241 L CB -2.191 39.837 42.059 -0.053 0.000 0.903 241 L HN 0.250 nan 8.230 nan 0.000 0.435 242 P HA -0.202 nan 4.420 nan 0.000 0.216 242 P C 1.506 178.830 177.300 0.040 0.000 1.150 242 P CA 2.004 64.937 63.100 -0.278 0.000 0.837 242 P CB -0.029 31.435 31.700 -0.394 0.000 0.786 243 A N -1.108 121.788 122.820 0.127 0.000 1.930 243 A HA -0.183 4.146 4.320 0.015 0.000 0.217 243 A C 2.339 180.084 177.584 0.269 0.000 1.175 243 A CA 1.142 53.299 52.037 0.200 0.000 0.627 243 A CB -1.841 17.225 19.000 0.110 0.000 0.815 243 A HN 0.175 nan 8.150 nan 0.000 0.443 244 Y N -0.253 120.099 120.300 0.087 0.000 2.274 244 Y HA -0.199 4.360 4.550 0.014 0.000 0.290 244 Y C 2.920 179.070 175.900 0.418 0.000 1.145 244 Y CA 0.179 58.415 58.100 0.227 0.000 1.203 244 Y CB -0.176 38.441 38.460 0.262 0.000 0.984 244 Y HN 0.438 nan 8.280 nan 0.000 0.533 245 A N 1.081 124.192 122.820 0.485 0.000 1.852 245 A HA -0.277 4.052 4.320 0.015 0.000 0.217 245 A C 2.044 179.717 177.584 0.149 0.000 1.215 245 A CA 2.182 54.333 52.037 0.191 0.000 0.641 245 A CB -1.209 17.791 19.000 -0.001 0.000 0.838 245 A HN 0.456 nan 8.150 nan 0.000 0.450 246 I N -0.447 120.226 120.570 0.172 0.000 2.315 246 I HA -0.285 3.894 4.170 0.015 0.000 0.251 246 I C 2.166 178.338 176.117 0.092 0.000 1.125 246 I CA 1.455 62.860 61.300 0.176 0.000 1.392 246 I CB -0.229 37.960 38.000 0.315 0.000 1.065 246 I HN 0.356 nan 8.210 nan 0.000 0.424 247 I N -1.602 119.027 120.570 0.099 0.000 2.852 247 I HA -0.198 3.981 4.170 0.015 0.000 0.264 247 I C 2.016 178.098 176.117 -0.059 0.000 1.179 247 I CA 0.983 62.267 61.300 -0.026 0.000 1.480 247 I CB -0.095 37.841 38.000 -0.107 0.000 1.111 247 I HN 0.148 nan 8.210 nan 0.000 0.441 248 Y N 0.393 120.682 120.300 -0.017 0.000 2.347 248 Y HA -0.146 4.413 4.550 0.014 0.000 0.294 248 Y C 2.807 178.669 175.900 -0.065 0.000 1.117 248 Y CA 1.500 59.580 58.100 -0.034 0.000 1.184 248 Y CB 0.278 38.747 38.460 0.015 0.000 1.047 248 Y HN 0.176 nan 8.280 nan 0.000 0.546 249 T N -3.400 111.204 114.554 0.084 0.000 2.990 249 T HA 0.165 4.524 4.350 0.015 0.000 0.250 249 T C 1.167 175.848 174.700 -0.032 0.000 1.041 249 T CA 0.334 62.405 62.100 -0.047 0.000 1.010 249 T CB -0.043 68.702 68.868 -0.205 0.000 1.003 249 T HN 0.233 nan 8.240 nan 0.000 0.499 250 I N -0.400 120.140 120.570 -0.050 0.000 4.471 250 I HA 0.360 4.539 4.170 0.015 0.000 0.326 250 I C 1.639 177.637 176.117 -0.198 0.000 1.300 250 I CA 0.025 61.221 61.300 -0.173 0.000 1.237 250 I CB 0.658 38.411 38.000 -0.412 0.000 1.195 250 I HN 0.142 nan 8.210 nan 0.000 0.427 251 L N 2.501 123.657 121.223 -0.111 0.000 2.131 251 L HA 0.146 4.495 4.340 0.015 0.000 0.206 251 L C -0.837 176.022 176.870 -0.018 0.000 1.087 251 L CA 1.981 56.778 54.840 -0.072 0.000 0.767 251 L CB -1.339 40.683 42.059 -0.062 0.000 0.917 251 L HN 0.007 nan 8.230 nan 0.000 0.441 252 P HA -0.206 nan 4.420 nan 0.000 0.218 252 P C 1.265 178.553 177.300 -0.020 0.000 1.148 252 P CA 1.618 64.720 63.100 0.004 0.000 0.822 252 P CB 0.004 31.713 31.700 0.015 0.000 0.784 253 K N 0.065 120.438 120.400 -0.046 0.000 2.186 253 K HA -0.071 4.258 4.320 0.015 0.000 0.202 253 K C 2.034 178.578 176.600 -0.093 0.000 1.052 253 K CA 1.047 57.294 56.287 -0.066 0.000 0.965 253 K CB -0.677 31.788 32.500 -0.057 0.000 0.746 253 K HN -0.007 nan 8.250 nan 0.000 0.457 254 Q N 0.217 119.954 119.800 -0.106 0.000 2.234 254 Q HA -0.123 4.226 4.340 0.015 0.000 0.206 254 Q C 2.047 177.978 176.000 -0.115 0.000 0.980 254 Q CA 1.521 57.272 55.803 -0.087 0.000 0.869 254 Q CB -0.299 28.405 28.738 -0.056 0.000 0.912 254 Q HN 0.484 nan 8.270 nan 0.000 0.436 255 A N 0.611 123.376 122.820 -0.091 0.000 2.014 255 A HA 0.215 4.544 4.320 0.015 0.000 0.218 255 A C 1.602 179.047 177.584 -0.231 0.000 1.163 255 A CA 1.261 53.160 52.037 -0.230 0.000 0.652 255 A CB -0.250 18.734 19.000 -0.026 0.000 0.808 255 A HN 0.508 nan 8.150 nan 0.000 0.449 256 G N -2.624 106.084 108.800 -0.152 0.000 2.167 256 G HA2 0.254 4.223 3.960 0.015 0.000 0.194 256 G HA3 0.254 4.223 3.960 0.015 0.000 0.194 256 G C 0.455 175.272 174.900 -0.138 0.000 1.027 256 G CA 0.238 45.252 45.100 -0.143 0.000 0.717 256 G HN 1.503 nan 8.290 nan 0.000 0.501 257 G N -1.162 107.586 108.800 -0.087 0.000 3.058 257 G HA2 0.791 4.760 3.960 0.015 0.000 0.282 257 G HA3 0.791 4.760 3.960 0.015 0.000 0.282 257 G C -0.783 174.138 174.900 0.035 0.000 1.248 257 G CA -0.929 44.139 45.100 -0.053 0.000 0.822 257 G HN 0.407 nan 8.290 nan 0.000 0.579 258 R N -0.465 120.121 120.500 0.143 0.000 2.621 258 R HA 0.380 4.729 4.340 0.015 0.000 0.292 258 R C -1.158 175.198 176.300 0.094 0.000 0.969 258 R CA -0.886 55.291 56.100 0.128 0.000 0.887 258 R CB 2.396 32.809 30.300 0.189 0.000 1.180 258 R HN 0.422 nan 8.270 nan 0.000 0.450 259 L N 4.538 125.788 121.223 0.046 0.000 2.597 259 L HA -0.031 4.318 4.340 0.015 0.000 0.271 259 L C 1.225 178.102 176.870 0.012 0.000 1.157 259 L CA 0.418 55.280 54.840 0.037 0.000 0.928 259 L CB 0.783 42.865 42.059 0.039 0.000 1.216 259 L HN 0.682 nan 8.230 nan 0.000 0.481 260 V N 1.872 121.777 119.914 -0.014 0.000 2.515 260 V HA 0.038 4.167 4.120 0.015 0.000 0.250 260 V C 1.015 177.068 176.094 -0.067 0.000 1.058 260 V CA 1.260 63.510 62.300 -0.083 0.000 1.064 260 V CB -0.474 31.250 31.823 -0.165 0.000 0.675 260 V HN 0.906 nan 8.190 nan 0.000 0.461 261 S N 0.801 116.487 115.700 -0.024 0.000 2.789 261 S HA 0.296 4.775 4.470 0.015 0.000 0.286 261 S C 0.521 175.104 174.600 -0.027 0.000 1.153 261 S CA -0.074 58.112 58.200 -0.023 0.000 1.084 261 S CB 1.163 64.358 63.200 -0.008 0.000 1.036 261 S HN 0.665 nan 8.310 nan 0.000 0.484 262 D N 5.230 125.594 120.400 -0.060 0.000 2.224 262 D HA 0.022 4.671 4.640 0.015 0.000 0.205 262 D C -1.221 175.002 176.300 -0.129 0.000 0.965 262 D CA 0.763 54.702 54.000 -0.102 0.000 0.852 262 D CB -0.913 39.820 40.800 -0.112 0.000 0.947 262 D HN 0.414 nan 8.370 nan 0.000 0.494 263 P HA -0.133 nan 4.420 nan 0.000 0.214 263 P C 2.012 179.256 177.300 -0.093 0.000 1.163 263 P CA 1.368 64.404 63.100 -0.106 0.000 0.883 263 P CB -0.124 31.532 31.700 -0.074 0.000 0.788 264 M N -0.598 118.971 119.600 -0.052 0.000 2.082 264 M HA -0.157 4.332 4.480 0.015 0.000 0.258 264 M C 2.024 178.276 176.300 -0.081 0.000 1.069 264 M CA 2.151 57.439 55.300 -0.020 0.000 1.102 264 M CB -2.241 30.393 32.600 0.058 0.000 1.336 264 M HN -0.102 nan 8.290 nan 0.000 0.404 265 A N -0.486 122.215 122.820 -0.198 0.000 2.264 265 A HA -0.066 4.263 4.320 0.015 0.000 0.207 265 A C 2.254 179.620 177.584 -0.363 0.000 1.196 265 A CA 0.915 52.558 52.037 -0.657 0.000 0.778 265 A CB -0.551 18.015 19.000 -0.724 0.000 0.779 265 A HN 0.495 nan 8.150 nan 0.000 0.483 266 R N -2.012 118.396 120.500 -0.153 0.000 2.119 266 R HA 0.163 4.512 4.340 0.015 0.000 0.202 266 R C 1.747 178.090 176.300 0.071 0.000 1.114 266 R CA 0.323 56.422 56.100 -0.002 0.000 1.089 266 R CB -0.432 29.749 30.300 -0.198 0.000 1.000 266 R HN 0.399 nan 8.270 nan 0.000 0.487 267 L N 1.615 122.812 121.223 -0.043 0.000 2.089 267 L HA -0.173 4.176 4.340 0.015 0.000 0.213 267 L C 2.080 178.906 176.870 -0.073 0.000 1.079 267 L CA 1.989 56.783 54.840 -0.077 0.000 0.758 267 L CB -0.754 41.253 42.059 -0.088 0.000 0.891 267 L HN 0.193 nan 8.230 nan 0.000 0.433 268 A N -1.095 121.715 122.820 -0.017 0.000 1.835 268 A HA -0.221 4.108 4.320 0.015 0.000 0.215 268 A C 2.146 179.689 177.584 -0.069 0.000 1.199 268 A CA 1.883 53.883 52.037 -0.061 0.000 0.615 268 A CB -1.180 17.920 19.000 0.166 0.000 0.838 268 A HN 0.374 nan 8.150 nan 0.000 0.444 269 F N -0.538 119.464 119.950 0.087 0.000 2.091 269 F HA -0.209 4.329 4.527 0.018 0.000 0.299 269 F C 2.136 177.981 175.800 0.075 0.000 1.103 269 F CA 1.703 59.832 58.000 0.214 0.000 1.228 269 F CB -0.735 38.343 39.000 0.130 0.000 0.984 269 F HN 0.243 nan 8.300 nan 0.000 0.477 270 L N 0.225 121.558 121.223 0.183 0.000 2.010 270 L HA -0.280 4.069 4.340 0.015 0.000 0.219 270 L C 2.222 179.029 176.870 -0.104 0.000 1.077 270 L CA 1.824 56.656 54.840 -0.012 0.000 0.773 270 L CB -1.104 40.858 42.059 -0.162 0.000 0.892 270 L HN 0.161 nan 8.230 nan 0.000 0.436 271 L N -1.574 119.529 121.223 -0.200 0.000 2.042 271 L HA -0.281 4.068 4.340 0.015 0.000 0.210 271 L C 2.573 179.281 176.870 -0.271 0.000 1.076 271 L CA 1.894 56.566 54.840 -0.279 0.000 0.749 271 L CB -0.647 41.194 42.059 -0.362 0.000 0.893 271 L HN 0.300 nan 8.230 nan 0.000 0.432 272 F N -0.632 119.267 119.950 -0.086 0.000 2.202 272 F HA -0.289 4.247 4.527 0.014 0.000 0.301 272 F C 2.347 178.120 175.800 -0.045 0.000 1.082 272 F CA 0.611 58.538 58.000 -0.122 0.000 1.313 272 F CB -0.326 38.578 39.000 -0.161 0.000 1.024 272 F HN 0.105 nan 8.300 nan 0.000 0.495 273 L N -0.089 121.227 121.223 0.155 0.000 2.056 273 L HA -0.149 4.200 4.340 0.015 0.000 0.207 273 L C 1.875 178.805 176.870 0.101 0.000 1.078 273 L CA 1.727 56.658 54.840 0.152 0.000 0.749 273 L CB -0.854 41.301 42.059 0.160 0.000 0.901 273 L HN 0.004 nan 8.230 nan 0.000 0.433 274 L N -0.929 120.316 121.223 0.037 0.000 2.109 274 L HA -0.039 4.310 4.340 0.015 0.000 0.207 274 L C 2.034 178.894 176.870 -0.016 0.000 1.086 274 L CA 1.606 56.454 54.840 0.014 0.000 0.760 274 L CB -0.561 41.492 42.059 -0.010 0.000 0.910 274 L HN 0.289 nan 8.230 nan 0.000 0.437 275 L N -3.251 117.957 121.223 -0.026 0.000 2.966 275 L HA 0.220 4.569 4.340 0.015 0.000 0.262 275 L C 1.867 178.709 176.870 -0.045 0.000 1.165 275 L CA -0.050 54.759 54.840 -0.051 0.000 0.978 275 L CB -0.032 42.000 42.059 -0.045 0.000 1.337 275 L HN -0.107 nan 8.230 nan 0.000 0.563 276 S N -0.056 115.653 115.700 0.015 0.000 2.447 276 S HA -0.094 4.385 4.470 0.015 0.000 0.233 276 S C 1.852 176.577 174.600 0.207 0.000 1.006 276 S CA 1.767 60.040 58.200 0.122 0.000 0.957 276 S CB -0.054 63.260 63.200 0.190 0.000 0.773 276 S HN 0.436 nan 8.310 nan 0.000 0.507 277 T N 1.529 116.116 114.554 0.056 0.000 3.046 277 T HA 0.073 4.432 4.350 0.015 0.000 0.242 277 T C -1.785 172.793 174.700 -0.204 0.000 1.018 277 T CA 0.172 62.271 62.100 -0.002 0.000 1.131 277 T CB -0.648 68.210 68.868 -0.017 0.000 0.904 277 T HN 0.285 nan 8.240 nan 0.000 0.459 278 P HA 0.219 nan 4.420 nan 0.000 0.226 278 P C 0.455 177.316 177.300 -0.731 0.000 1.758 278 P CA 0.246 62.967 63.100 -0.633 0.000 0.896 278 P CB -0.477 30.910 31.700 -0.522 0.000 1.784 279 V N -4.518 115.117 119.914 -0.465 0.000 3.497 279 V HA 0.333 4.462 4.120 0.015 0.000 0.272 279 V C 2.234 178.162 176.094 -0.277 0.000 1.474 279 V CA 0.963 63.057 62.300 -0.343 0.000 1.025 279 V CB -0.899 30.751 31.823 -0.288 0.000 0.820 279 V HN 0.143 nan 8.190 nan 0.000 0.437 280 G N 0.653 109.339 108.800 -0.190 0.000 2.605 280 G HA2 -0.254 3.715 3.960 0.015 0.000 0.222 280 G HA3 -0.254 3.715 3.960 0.015 0.000 0.222 280 G C 1.271 176.128 174.900 -0.072 0.000 1.092 280 G CA 1.437 46.522 45.100 -0.026 0.000 0.730 280 G HN 0.596 nan 8.290 nan 0.000 0.588 281 F N 0.555 120.281 119.950 -0.373 0.000 2.451 281 F HA -0.053 4.483 4.527 0.015 0.000 0.299 281 F C 2.673 177.970 175.800 -0.838 0.000 1.101 281 F CA 0.659 58.310 58.000 -0.581 0.000 1.436 281 F CB -0.199 38.331 39.000 -0.783 0.000 1.074 281 F HN 0.430 nan 8.300 nan 0.000 0.553 282 H N -0.833 117.895 119.070 -0.571 0.000 2.489 282 H HA -0.166 4.398 4.556 0.015 0.000 0.295 282 H C 1.037 175.719 175.328 -1.078 0.000 1.082 282 H CA 1.426 56.791 56.048 -1.137 0.000 1.295 282 H CB -0.814 28.664 29.762 -0.472 0.000 1.380 282 H HN 0.431 nan 8.280 nan 0.000 0.548 283 H N 0.661 119.388 119.070 -0.572 0.000 2.539 283 H HA 0.123 4.688 4.556 0.015 0.000 0.267 283 H C 0.655 175.685 175.328 -0.496 0.000 0.982 283 H CA 0.333 55.997 56.048 -0.640 0.000 1.146 283 H CB 0.555 29.412 29.762 -1.508 0.000 1.382 283 H HN 0.628 nan 8.280 nan 0.000 0.577 284 Q N -0.370 119.192 119.800 -0.397 0.000 2.135 284 Q HA 0.129 4.478 4.340 0.015 0.000 0.231 284 Q C 0.692 176.567 176.000 -0.209 0.000 0.817 284 Q CA -0.294 55.365 55.803 -0.240 0.000 1.073 284 Q CB 0.448 29.090 28.738 -0.160 0.000 1.176 284 Q HN 0.345 nan 8.270 nan 0.000 0.478 285 F N 0.398 120.246 119.950 -0.170 0.000 2.333 285 F HA -0.108 4.428 4.527 0.015 0.000 0.300 285 F C 1.760 177.572 175.800 0.019 0.000 1.083 285 F CA 0.744 58.688 58.000 -0.093 0.000 1.395 285 F CB 0.417 39.288 39.000 -0.214 0.000 1.056 285 F HN 0.158 nan 8.300 nan 0.000 0.529 286 A N -1.198 121.672 122.820 0.083 0.000 2.535 286 A HA 0.195 4.524 4.320 0.015 0.000 0.273 286 A C -0.445 177.186 177.584 0.078 0.000 1.267 286 A CA -0.341 51.798 52.037 0.171 0.000 0.940 286 A CB -0.326 18.716 19.000 0.070 0.000 1.101 286 A HN -0.039 nan 8.150 nan 0.000 0.521 287 D N 1.982 122.396 120.400 0.023 0.000 2.264 287 D HA 0.444 5.093 4.640 0.015 0.000 0.249 287 D C -2.173 174.115 176.300 -0.020 0.000 1.070 287 D CA -1.134 52.853 54.000 -0.021 0.000 0.912 287 D CB 1.168 41.923 40.800 -0.074 0.000 1.193 287 D HN 0.223 nan 8.370 nan 0.000 0.427 288 P HA 0.266 nan 4.420 nan 0.000 0.278 288 P C 0.227 177.486 177.300 -0.069 0.000 1.266 288 P CA -0.516 62.563 63.100 -0.036 0.000 0.807 288 P CB 0.797 32.479 31.700 -0.030 0.000 1.094 289 G N 0.346 109.107 108.800 -0.063 0.000 2.272 289 G HA2 -0.190 3.779 3.960 0.015 0.000 0.280 289 G HA3 -0.190 3.779 3.960 0.015 0.000 0.280 289 G C -0.210 174.613 174.900 -0.128 0.000 1.067 289 G CA 0.042 45.092 45.100 -0.084 0.000 0.902 289 G HN 0.529 nan 8.290 nan 0.000 0.500 290 I N -0.357 120.130 120.570 -0.137 0.000 2.586 290 I HA 0.192 4.371 4.170 0.015 0.000 0.288 290 I C -0.363 175.695 176.117 -0.099 0.000 1.147 290 I CA -1.041 60.129 61.300 -0.217 0.000 1.047 290 I CB 1.900 39.608 38.000 -0.486 0.000 1.244 290 I HN 0.098 nan 8.210 nan 0.000 0.429 291 D N 8.097 128.498 120.400 0.002 0.000 2.455 291 D HA 0.084 4.733 4.640 0.015 0.000 0.241 291 D C -1.491 174.864 176.300 0.092 0.000 1.138 291 D CA -0.894 53.153 54.000 0.078 0.000 0.877 291 D CB 1.215 42.104 40.800 0.148 0.000 1.187 291 D HN 0.230 nan 8.370 nan 0.000 0.451 292 P HA -0.147 nan 4.420 nan 0.000 0.221 292 P C 0.635 178.013 177.300 0.129 0.000 1.141 292 P CA 1.174 64.404 63.100 0.217 0.000 0.794 292 P CB 0.244 32.075 31.700 0.219 0.000 0.764 293 T N -3.546 111.032 114.554 0.042 0.000 3.033 293 T HA 0.010 4.369 4.350 0.015 0.000 0.248 293 T C 1.360 176.011 174.700 -0.082 0.000 1.040 293 T CA 0.330 62.394 62.100 -0.060 0.000 1.133 293 T CB -0.694 68.086 68.868 -0.148 0.000 0.895 293 T HN 0.161 nan 8.240 nan 0.000 0.465 294 W N 2.361 123.695 121.300 0.057 0.000 2.392 294 W HA 0.023 4.692 4.660 0.015 0.000 0.279 294 W C 2.306 178.952 176.519 0.212 0.000 1.225 294 W CA 0.384 57.831 57.345 0.169 0.000 1.233 294 W CB 0.013 29.604 29.460 0.218 0.000 1.122 294 W HN 0.176 nan 8.180 nan 0.000 0.561 295 K N -0.866 119.636 120.400 0.170 0.000 2.116 295 K HA -0.144 4.185 4.320 0.015 0.000 0.203 295 K C 1.927 178.407 176.600 -0.200 0.000 1.052 295 K CA 1.052 57.281 56.287 -0.097 0.000 0.952 295 K CB -0.415 31.820 32.500 -0.442 0.000 0.729 295 K HN 0.064 nan 8.250 nan 0.000 0.446 296 M N 1.199 120.672 119.600 -0.211 0.000 2.254 296 M HA -0.007 4.482 4.480 0.015 0.000 0.265 296 M C 1.686 177.967 176.300 -0.032 0.000 1.066 296 M CA 1.319 56.550 55.300 -0.116 0.000 1.123 296 M CB -0.077 32.531 32.600 0.013 0.000 1.388 296 M HN 0.045 nan 8.290 nan 0.000 0.425 297 I N -1.394 119.189 120.570 0.021 0.000 2.333 297 I HA -0.243 3.936 4.170 0.015 0.000 0.246 297 I C 1.924 178.038 176.117 -0.005 0.000 1.106 297 I CA 0.824 62.117 61.300 -0.011 0.000 1.411 297 I CB -0.434 37.569 38.000 0.005 0.000 1.082 297 I HN 0.265 nan 8.210 nan 0.000 0.420 298 H N -0.485 118.585 119.070 0.001 0.000 2.357 298 H HA -0.131 4.434 4.556 0.015 0.000 0.301 298 H C 2.517 177.810 175.328 -0.059 0.000 1.082 298 H CA 1.697 57.694 56.048 -0.085 0.000 1.342 298 H CB -0.182 29.511 29.762 -0.116 0.000 1.389 298 H HN 0.160 nan 8.280 nan 0.000 0.511 299 S N -0.342 115.427 115.700 0.114 0.000 2.365 299 S HA -0.196 4.283 4.470 0.015 0.000 0.221 299 S C 2.387 176.965 174.600 -0.037 0.000 1.037 299 S CA 1.739 60.014 58.200 0.126 0.000 1.060 299 S CB -0.723 62.536 63.200 0.099 0.000 0.974 299 S HN 0.206 nan 8.310 nan 0.000 0.427 300 V N 2.601 122.430 119.914 -0.141 0.000 2.324 300 V HA -0.169 3.960 4.120 0.015 0.000 0.250 300 V C 2.520 178.283 176.094 -0.551 0.000 1.060 300 V CA 1.723 63.809 62.300 -0.355 0.000 1.042 300 V CB -0.675 30.935 31.823 -0.356 0.000 0.650 300 V HN 0.492 nan 8.190 nan 0.000 0.450 301 L N -0.272 120.740 121.223 -0.352 0.000 2.046 301 L HA -0.173 4.176 4.340 0.015 0.000 0.208 301 L C 2.576 179.359 176.870 -0.145 0.000 1.077 301 L CA 2.478 57.157 54.840 -0.270 0.000 0.747 301 L CB -1.701 40.204 42.059 -0.256 0.000 0.896 301 L HN 0.420 nan 8.230 nan 0.000 0.432 302 T N 0.377 114.876 114.554 -0.092 0.000 2.746 302 T HA -0.160 4.199 4.350 0.015 0.000 0.267 302 T C 2.048 176.748 174.700 -0.001 0.000 1.039 302 T CA 0.901 62.997 62.100 -0.007 0.000 1.142 302 T CB -0.249 68.640 68.868 0.035 0.000 0.866 302 T HN 0.218 nan 8.240 nan 0.000 0.444 303 L N -0.201 120.982 121.223 -0.068 0.000 2.450 303 L HA 0.010 4.359 4.340 0.015 0.000 0.224 303 L C 1.978 178.934 176.870 0.143 0.000 1.149 303 L CA 1.112 55.941 54.840 -0.018 0.000 0.816 303 L CB -0.519 41.488 42.059 -0.087 0.000 0.932 303 L HN 0.345 nan 8.230 nan 0.000 0.449 304 F N -2.103 117.838 119.950 -0.015 0.000 2.317 304 F HA -0.086 4.450 4.527 0.015 0.000 0.290 304 F C 2.333 178.101 175.800 -0.053 0.000 1.075 304 F CA 0.040 58.018 58.000 -0.037 0.000 1.380 304 F CB -0.001 38.966 39.000 -0.056 0.000 1.093 304 F HN -0.248 nan 8.300 nan 0.000 0.524 305 V N 0.670 120.660 119.914 0.127 0.000 3.099 305 V HA -0.274 3.855 4.120 0.015 0.000 0.269 305 V C 1.927 178.085 176.094 0.107 0.000 1.150 305 V CA 1.737 64.052 62.300 0.025 0.000 1.165 305 V CB -0.599 31.199 31.823 -0.043 0.000 0.756 305 V HN 0.301 nan 8.190 nan 0.000 0.527 306 A N -1.312 121.604 122.820 0.160 0.000 2.218 306 A HA 0.091 4.420 4.320 0.015 0.000 0.209 306 A C 2.087 179.759 177.584 0.146 0.000 1.168 306 A CA 1.066 53.222 52.037 0.198 0.000 0.804 306 A CB -0.066 19.041 19.000 0.180 0.000 0.834 306 A HN 0.420 nan 8.150 nan 0.000 0.482 307 V N 1.231 121.187 119.914 0.070 0.000 2.379 307 V HA -0.088 4.041 4.120 0.015 0.000 0.245 307 V C -0.359 175.732 176.094 -0.005 0.000 1.044 307 V CA 2.079 64.393 62.300 0.022 0.000 1.036 307 V CB -1.255 30.540 31.823 -0.047 0.000 0.664 307 V HN 0.429 nan 8.190 nan 0.000 0.453 308 P HA -0.075 nan 4.420 nan 0.000 0.228 308 P C 1.637 179.023 177.300 0.143 0.000 1.151 308 P CA 1.292 64.291 63.100 -0.169 0.000 0.770 308 P CB 0.195 31.410 31.700 -0.808 0.000 0.786 309 S N -1.028 114.850 115.700 0.297 0.000 2.456 309 S HA 0.129 4.608 4.470 0.015 0.000 0.224 309 S C 1.808 176.609 174.600 0.335 0.000 1.035 309 S CA -0.017 58.483 58.200 0.500 0.000 0.940 309 S CB -0.633 62.961 63.200 0.657 0.000 0.799 309 S HN 0.046 nan 8.310 nan 0.000 0.508 310 L N 1.216 122.582 121.223 0.237 0.000 2.013 310 L HA -0.215 4.134 4.340 0.015 0.000 0.212 310 L C 2.446 179.417 176.870 0.168 0.000 1.073 310 L CA 1.485 56.431 54.840 0.177 0.000 0.753 310 L CB -0.546 41.587 42.059 0.123 0.000 0.890 310 L HN 0.413 nan 8.230 nan 0.000 0.432 311 M N -1.484 118.205 119.600 0.148 0.000 2.123 311 M HA -0.138 4.351 4.480 0.015 0.000 0.263 311 M C 2.297 178.711 176.300 0.189 0.000 1.069 311 M CA 1.695 57.090 55.300 0.159 0.000 1.133 311 M CB -0.872 31.797 32.600 0.114 0.000 1.356 311 M HN 0.146 nan 8.290 nan 0.000 0.415 312 T N 1.539 116.202 114.554 0.180 0.000 2.680 312 T HA -0.239 4.120 4.350 0.015 0.000 0.268 312 T C 1.917 176.577 174.700 -0.067 0.000 1.033 312 T CA 1.878 63.983 62.100 0.008 0.000 1.152 312 T CB -0.466 68.298 68.868 -0.174 0.000 0.859 312 T HN 0.542 nan 8.240 nan 0.000 0.452 313 A N 0.473 123.342 122.820 0.082 0.000 1.883 313 A HA -0.077 4.252 4.320 0.015 0.000 0.217 313 A C 2.050 179.714 177.584 0.133 0.000 1.186 313 A CA 1.631 53.738 52.037 0.116 0.000 0.624 313 A CB -0.976 18.140 19.000 0.194 0.000 0.822 313 A HN 0.553 nan 8.150 nan 0.000 0.444 314 F N 0.820 120.787 119.950 0.028 0.000 2.128 314 F HA -0.128 4.408 4.527 0.015 0.000 0.295 314 F C 2.621 178.415 175.800 -0.009 0.000 1.100 314 F CA 2.101 60.110 58.000 0.015 0.000 1.260 314 F CB -0.275 38.736 39.000 0.018 0.000 1.009 314 F HN 0.214 nan 8.300 nan 0.000 0.476 315 T N -0.152 114.393 114.554 -0.014 0.000 2.684 315 T HA -0.185 4.174 4.350 0.015 0.000 0.267 315 T C 2.046 176.641 174.700 -0.174 0.000 1.036 315 T CA 1.642 63.694 62.100 -0.079 0.000 1.148 315 T CB -0.622 68.332 68.868 0.143 0.000 0.863 315 T HN 0.104 nan 8.240 nan 0.000 0.436 316 V N 1.200 120.987 119.914 -0.211 0.000 2.548 316 V HA -0.075 4.054 4.120 0.015 0.000 0.249 316 V C 2.703 178.710 176.094 -0.145 0.000 1.055 316 V CA 1.470 63.638 62.300 -0.219 0.000 1.065 316 V CB -0.986 30.656 31.823 -0.302 0.000 0.681 316 V HN 0.523 nan 8.190 nan 0.000 0.462 317 A N 0.026 122.749 122.820 -0.161 0.000 1.840 317 A HA 0.007 4.336 4.320 0.015 0.000 0.214 317 A C 2.497 179.874 177.584 -0.346 0.000 1.198 317 A CA 1.712 53.661 52.037 -0.147 0.000 0.608 317 A CB -1.091 17.869 19.000 -0.067 0.000 0.839 317 A HN 0.554 nan 8.150 nan 0.000 0.443 318 A N -0.222 122.279 122.820 -0.531 0.000 1.957 318 A HA -0.310 4.019 4.320 0.015 0.000 0.224 318 A C 2.445 179.857 177.584 -0.288 0.000 1.287 318 A CA 2.956 54.676 52.037 -0.528 0.000 0.682 318 A CB -1.262 17.337 19.000 -0.669 0.000 0.833 318 A HN 0.515 nan 8.150 nan 0.000 0.482 319 S N -0.621 114.966 115.700 -0.190 0.000 2.345 319 S HA 0.008 4.487 4.470 0.015 0.000 0.219 319 S C 1.820 176.424 174.600 0.006 0.000 1.031 319 S CA 1.282 59.454 58.200 -0.047 0.000 0.984 319 S CB -0.473 62.711 63.200 -0.026 0.000 0.874 319 S HN 0.499 nan 8.310 nan 0.000 0.451 320 L N 1.426 122.658 121.223 0.015 0.000 2.127 320 L HA -0.152 4.197 4.340 0.015 0.000 0.211 320 L C 2.668 179.620 176.870 0.136 0.000 1.089 320 L CA 1.332 56.262 54.840 0.151 0.000 0.757 320 L CB -0.441 41.807 42.059 0.314 0.000 0.899 320 L HN 0.419 nan 8.230 nan 0.000 0.434 321 E N -0.022 120.057 120.200 -0.202 0.000 2.112 321 E HA -0.210 4.149 4.350 0.015 0.000 0.190 321 E C 2.165 178.673 176.600 -0.154 0.000 0.979 321 E CA 0.657 56.726 56.400 -0.552 0.000 0.814 321 E CB 0.018 28.981 29.700 -1.228 0.000 0.762 321 E HN 0.471 nan 8.360 nan 0.000 0.460 322 F N 0.951 120.771 119.950 -0.217 0.000 2.146 322 F HA -0.084 4.451 4.527 0.014 0.000 0.298 322 F C 2.119 177.886 175.800 -0.054 0.000 1.096 322 F CA 1.299 59.221 58.000 -0.129 0.000 1.275 322 F CB -0.075 38.849 39.000 -0.126 0.000 1.008 322 F HN 0.068 nan 8.300 nan 0.000 0.480 323 A N 0.583 123.332 122.820 -0.118 0.000 1.877 323 A HA -0.086 4.243 4.320 0.015 0.000 0.216 323 A C 2.431 179.934 177.584 -0.135 0.000 1.186 323 A CA 1.733 53.650 52.037 -0.200 0.000 0.620 323 A CB -1.832 17.111 19.000 -0.096 0.000 0.822 323 A HN 0.512 nan 8.150 nan 0.000 0.443 324 G N -0.378 108.444 108.800 0.036 0.000 2.446 324 G HA2 -0.252 3.717 3.960 0.015 0.000 0.217 324 G HA3 -0.252 3.717 3.960 0.015 0.000 0.217 324 G C 1.725 176.677 174.900 0.086 0.000 1.168 324 G CA 0.897 46.082 45.100 0.141 0.000 0.771 324 G HN 0.569 nan 8.290 nan 0.000 0.551 325 R N 0.002 120.533 120.500 0.051 0.000 2.091 325 R HA 0.031 4.380 4.340 0.015 0.000 0.238 325 R C 2.626 178.883 176.300 -0.072 0.000 1.136 325 R CA 0.895 57.006 56.100 0.018 0.000 0.959 325 R CB -0.746 29.570 30.300 0.026 0.000 0.856 325 R HN 0.345 nan 8.270 nan 0.000 0.437 326 L N 0.957 122.052 121.223 -0.213 0.000 2.129 326 L HA -0.180 4.169 4.340 0.015 0.000 0.212 326 L C 1.311 178.101 176.870 -0.133 0.000 1.087 326 L CA 1.409 56.105 54.840 -0.241 0.000 0.757 326 L CB -0.258 41.552 42.059 -0.414 0.000 0.896 326 L HN 0.184 nan 8.230 nan 0.000 0.434 327 R N 0.031 120.474 120.500 -0.095 0.000 3.782 327 R HA 0.298 4.647 4.340 0.015 0.000 0.291 327 R C 0.967 177.260 176.300 -0.012 0.000 1.539 327 R CA 0.482 56.550 56.100 -0.053 0.000 1.345 327 R CB 0.008 30.274 30.300 -0.055 0.000 1.408 327 R HN 0.251 nan 8.270 nan 0.000 0.654 328 G N 0.215 109.013 108.800 -0.003 0.000 2.162 328 G HA2 -0.292 3.677 3.960 0.015 0.000 0.260 328 G HA3 -0.292 3.677 3.960 0.015 0.000 0.260 328 G C 0.533 175.462 174.900 0.048 0.000 0.976 328 G CA -0.135 44.976 45.100 0.019 0.000 0.655 328 G HN 0.650 nan 8.290 nan 0.000 0.533 329 G N -0.690 108.156 108.800 0.076 0.000 2.491 329 G HA2 0.503 4.472 3.960 0.015 0.000 0.238 329 G HA3 0.503 4.472 3.960 0.015 0.000 0.238 329 G C 0.718 175.701 174.900 0.139 0.000 1.277 329 G CA 0.628 45.805 45.100 0.129 0.000 0.851 329 G HN 0.658 nan 8.290 nan 0.000 0.573 330 R N 1.659 122.246 120.500 0.144 0.000 2.207 330 R HA 0.381 4.730 4.340 0.015 0.000 0.180 330 R C 1.652 178.011 176.300 0.099 0.000 1.445 330 R CA 0.301 56.461 56.100 0.100 0.000 1.217 330 R CB -0.266 30.082 30.300 0.080 0.000 1.135 330 R HN 0.597 nan 8.270 nan 0.000 0.481 331 G N 0.589 109.451 108.800 0.104 0.000 3.019 331 G HA2 0.230 4.199 3.960 0.015 0.000 0.152 331 G HA3 0.230 4.199 3.960 0.015 0.000 0.152 331 G C 0.548 175.492 174.900 0.073 0.000 1.320 331 G CA -0.379 44.762 45.100 0.068 0.000 1.013 331 G HN 0.134 nan 8.290 nan 0.000 0.593 332 L N -1.473 119.722 121.223 -0.047 0.000 2.131 332 L HA 0.181 4.530 4.340 0.015 0.000 0.210 332 L C 1.629 178.356 176.870 -0.237 0.000 1.092 332 L CA 1.933 56.629 54.840 -0.241 0.000 0.759 332 L CB -0.166 41.561 42.059 -0.553 0.000 0.903 332 L HN 0.298 nan 8.230 nan 0.000 0.435 333 F N -1.173 118.876 119.950 0.164 0.000 2.706 333 F HA 0.410 4.946 4.527 0.015 0.000 0.313 333 F C 2.142 177.857 175.800 -0.141 0.000 1.096 333 F CA -0.056 57.926 58.000 -0.031 0.000 1.219 333 F CB -0.758 38.208 39.000 -0.057 0.000 1.051 333 F HN -0.006 nan 8.300 nan 0.000 0.568 334 G N 1.371 110.277 108.800 0.176 0.000 2.462 334 G HA2 -0.270 3.699 3.960 0.015 0.000 0.220 334 G HA3 -0.270 3.699 3.960 0.015 0.000 0.220 334 G C 1.536 176.515 174.900 0.132 0.000 1.121 334 G CA 0.968 46.146 45.100 0.129 0.000 0.758 334 G HN 0.575 nan 8.290 nan 0.000 0.559 335 W N 0.741 122.128 121.300 0.144 0.000 2.402 335 W HA 0.080 4.749 4.660 0.014 0.000 0.286 335 W C 1.760 178.394 176.519 0.192 0.000 1.221 335 W CA 0.337 57.759 57.345 0.129 0.000 1.257 335 W CB -0.944 28.580 29.460 0.107 0.000 1.120 335 W HN 0.238 nan 8.180 nan 0.000 0.551 336 I N 1.635 121.859 120.570 -0.577 0.000 2.113 336 I HA -0.269 3.910 4.170 0.015 0.000 0.238 336 I C 3.028 179.248 176.117 0.171 0.000 1.070 336 I CA 1.524 62.632 61.300 -0.320 0.000 1.332 336 I CB -0.774 36.920 38.000 -0.512 0.000 1.044 336 I HN -0.217 nan 8.210 nan 0.000 0.402 337 R N 0.829 121.353 120.500 0.041 0.000 2.139 337 R HA -0.172 4.177 4.340 0.015 0.000 0.243 337 R C 2.226 178.632 176.300 0.176 0.000 1.145 337 R CA 1.559 57.717 56.100 0.096 0.000 0.976 337 R CB -0.767 29.536 30.300 0.006 0.000 0.866 337 R HN 0.443 nan 8.270 nan 0.000 0.449 338 A N 0.799 123.705 122.820 0.144 0.000 2.125 338 A HA -0.061 4.268 4.320 0.015 0.000 0.219 338 A C 0.851 178.459 177.584 0.040 0.000 1.156 338 A CA 0.539 52.636 52.037 0.100 0.000 0.671 338 A CB -0.152 18.901 19.000 0.088 0.000 0.794 338 A HN 0.014 nan 8.150 nan 0.000 0.459 339 L N -0.313 120.938 121.223 0.047 0.000 2.466 339 L HA 0.285 4.634 4.340 0.015 0.000 0.257 339 L C -2.068 174.515 176.870 -0.479 0.000 1.189 339 L CA -2.051 52.597 54.840 -0.318 0.000 0.813 339 L CB -0.155 41.689 42.059 -0.359 0.000 1.118 339 L HN -0.002 nan 8.230 nan 0.000 0.471 340 P HA 0.018 nan 4.420 nan 0.000 0.237 340 P C -0.434 176.682 177.300 -0.305 0.000 1.788 340 P CA -0.081 62.711 63.100 -0.515 0.000 1.061 340 P CB -0.648 30.727 31.700 -0.543 0.000 1.967 341 W N 2.038 123.343 121.300 0.009 0.000 3.278 341 W HA 0.063 4.733 4.660 0.017 0.000 0.375 341 W C 0.681 177.298 176.519 0.164 0.000 1.110 341 W CA 0.055 57.517 57.345 0.194 0.000 1.814 341 W CB -0.313 29.268 29.460 0.203 0.000 0.899 341 W HN 0.350 nan 8.180 nan 0.000 0.774 342 D N -2.036 118.500 120.400 0.226 0.000 2.510 342 D HA -0.004 4.645 4.640 0.015 0.000 0.234 342 D C 0.060 176.445 176.300 0.142 0.000 1.178 342 D CA -0.151 53.958 54.000 0.182 0.000 0.816 342 D CB -0.292 40.584 40.800 0.126 0.000 1.143 342 D HN 0.019 nan 8.370 nan 0.000 0.526 343 N N 2.636 121.411 118.700 0.127 0.000 2.500 343 N HA 0.138 4.887 4.740 0.015 0.000 0.236 343 N C -1.562 174.024 175.510 0.125 0.000 1.022 343 N CA -2.022 51.100 53.050 0.120 0.000 0.935 343 N CB 1.789 40.329 38.487 0.089 0.000 1.147 343 N HN -0.205 nan 8.380 nan 0.000 0.512 344 P HA -0.136 nan 4.420 nan 0.000 0.219 344 P C 0.834 178.101 177.300 -0.055 0.000 1.146 344 P CA 0.874 63.939 63.100 -0.059 0.000 0.808 344 P CB 0.183 31.721 31.700 -0.270 0.000 0.779 345 A N -1.081 121.783 122.820 0.073 0.000 2.024 345 A HA -0.177 4.152 4.320 0.015 0.000 0.220 345 A C 2.035 179.681 177.584 0.104 0.000 1.164 345 A CA 1.206 53.357 52.037 0.190 0.000 0.643 345 A CB -1.589 17.660 19.000 0.415 0.000 0.806 345 A HN 0.186 nan 8.150 nan 0.000 0.451 346 F N 0.273 120.173 119.950 -0.084 0.000 2.092 346 F HA -0.033 4.503 4.527 0.014 0.000 0.286 346 F C 2.242 177.882 175.800 -0.267 0.000 1.116 346 F CA 1.717 59.601 58.000 -0.193 0.000 1.185 346 F CB -0.567 38.283 39.000 -0.250 0.000 1.034 346 F HN -0.014 nan 8.300 nan 0.000 0.479 347 V N 1.560 121.314 119.914 -0.266 0.000 2.277 347 V HA -0.419 3.710 4.120 0.015 0.000 0.253 347 V C 2.747 178.557 176.094 -0.472 0.000 1.067 347 V CA 2.092 64.147 62.300 -0.409 0.000 1.047 347 V CB -2.005 29.788 31.823 -0.049 0.000 0.649 347 V HN 0.575 nan 8.190 nan 0.000 0.447 348 A N 1.130 123.754 122.820 -0.327 0.000 1.849 348 A HA -0.177 4.152 4.320 0.015 0.000 0.217 348 A C 0.788 178.198 177.584 -0.291 0.000 1.202 348 A CA 2.513 54.378 52.037 -0.287 0.000 0.629 348 A CB -2.062 16.813 19.000 -0.209 0.000 0.834 348 A HN 0.616 nan 8.150 nan 0.000 0.447 349 P HA 0.043 nan 4.420 nan 0.000 0.236 349 P C 1.347 178.450 177.300 -0.329 0.000 1.177 349 P CA 0.732 63.689 63.100 -0.238 0.000 0.773 349 P CB 0.055 31.662 31.700 -0.156 0.000 0.878 350 V N 0.313 119.912 119.914 -0.526 0.000 2.407 350 V HA -0.146 3.983 4.120 0.015 0.000 0.245 350 V C 2.683 178.542 176.094 -0.391 0.000 1.041 350 V CA 1.227 63.210 62.300 -0.530 0.000 1.040 350 V CB -1.046 30.223 31.823 -0.924 0.000 0.671 350 V HN 0.004 nan 8.190 nan 0.000 0.455 351 L N 0.482 121.387 121.223 -0.531 0.000 2.079 351 L HA -0.140 4.209 4.340 0.015 0.000 0.210 351 L C 2.569 179.257 176.870 -0.304 0.000 1.081 351 L CA 1.795 56.161 54.840 -0.790 0.000 0.752 351 L CB -1.062 40.200 42.059 -1.330 0.000 0.896 351 L HN 0.489 nan 8.230 nan 0.000 0.433 352 G N -0.080 108.638 108.800 -0.137 0.000 2.402 352 G HA2 -0.191 3.778 3.960 0.015 0.000 0.216 352 G HA3 -0.191 3.778 3.960 0.015 0.000 0.216 352 G C 1.622 176.575 174.900 0.089 0.000 1.162 352 G CA 0.425 45.557 45.100 0.053 0.000 0.777 352 G HN 0.187 nan 8.290 nan 0.000 0.539 353 L N -0.236 120.978 121.223 -0.015 0.000 1.990 353 L HA -0.116 4.233 4.340 0.015 0.000 0.213 353 L C 2.809 179.787 176.870 0.180 0.000 1.072 353 L CA 0.605 55.474 54.840 0.049 0.000 0.755 353 L CB -0.544 41.490 42.059 -0.041 0.000 0.889 353 L HN 0.105 nan 8.230 nan 0.000 0.432 354 L N 0.095 121.390 121.223 0.119 0.000 2.010 354 L HA -0.240 4.109 4.340 0.015 0.000 0.219 354 L C 2.562 179.601 176.870 0.283 0.000 1.077 354 L CA 2.354 57.305 54.840 0.186 0.000 0.773 354 L CB -1.896 40.245 42.059 0.136 0.000 0.892 354 L HN 0.335 nan 8.230 nan 0.000 0.436 355 G N -2.521 106.508 108.800 0.381 0.000 2.470 355 G HA2 -0.310 3.659 3.960 0.015 0.000 0.220 355 G HA3 -0.310 3.659 3.960 0.015 0.000 0.220 355 G C 1.522 176.589 174.900 0.278 0.000 1.121 355 G CA 0.304 45.588 45.100 0.307 0.000 0.766 355 G HN 0.335 nan 8.290 nan 0.000 0.553 356 F N 0.962 120.996 119.950 0.140 0.000 2.502 356 F HA 0.191 4.728 4.527 0.016 0.000 0.298 356 F C 2.302 178.185 175.800 0.138 0.000 1.111 356 F CA 0.193 58.275 58.000 0.138 0.000 1.445 356 F CB 0.076 39.167 39.000 0.152 0.000 1.081 356 F HN 0.090 nan 8.300 nan 0.000 0.558 357 I N 0.812 121.497 120.570 0.191 0.000 2.162 357 I HA -0.177 4.002 4.170 0.015 0.000 0.238 357 I C -0.380 175.757 176.117 0.034 0.000 1.076 357 I CA 0.999 62.368 61.300 0.114 0.000 1.353 357 I CB -1.753 36.328 38.000 0.134 0.000 1.063 357 I HN -0.010 nan 8.210 nan 0.000 0.408 358 P HA -0.079 nan 4.420 nan 0.000 0.220 358 P C 1.530 178.801 177.300 -0.049 0.000 1.148 358 P CA 1.385 64.451 63.100 -0.055 0.000 0.803 358 P CB -0.253 31.374 31.700 -0.122 0.000 0.782 359 G N 0.232 109.008 108.800 -0.040 0.000 2.404 359 G HA2 -0.154 3.815 3.960 0.015 0.000 0.215 359 G HA3 -0.154 3.815 3.960 0.015 0.000 0.215 359 G C 1.807 176.710 174.900 0.005 0.000 1.174 359 G CA 0.813 45.905 45.100 -0.014 0.000 0.780 359 G HN 0.354 nan 8.290 nan 0.000 0.537 360 G N 0.988 109.663 108.800 -0.209 0.000 2.422 360 G HA2 0.097 4.066 3.960 0.015 0.000 0.218 360 G HA3 0.097 4.066 3.960 0.015 0.000 0.218 360 G C 2.018 176.924 174.900 0.010 0.000 1.140 360 G CA 1.484 46.505 45.100 -0.132 0.000 0.775 360 G HN 0.623 nan 8.290 nan 0.000 0.545 361 A N 1.136 123.968 122.820 0.020 0.000 1.865 361 A HA 0.117 4.446 4.320 0.015 0.000 0.217 361 A C 2.759 180.407 177.584 0.107 0.000 1.191 361 A CA 2.174 54.247 52.037 0.059 0.000 0.623 361 A CB -1.268 17.762 19.000 0.050 0.000 0.826 361 A HN 0.562 nan 8.150 nan 0.000 0.444 362 G N -0.628 108.248 108.800 0.126 0.000 2.505 362 G HA2 -0.094 3.875 3.960 0.015 0.000 0.220 362 G HA3 -0.094 3.875 3.960 0.015 0.000 0.220 362 G C 1.542 176.476 174.900 0.057 0.000 1.145 362 G CA 1.474 46.704 45.100 0.218 0.000 0.761 362 G HN 0.783 nan 8.290 nan 0.000 0.571 363 G N 0.968 109.707 108.800 -0.102 0.000 2.421 363 G HA2 -0.164 3.805 3.960 0.015 0.000 0.216 363 G HA3 -0.164 3.805 3.960 0.015 0.000 0.216 363 G C 1.748 176.614 174.900 -0.057 0.000 1.171 363 G CA 0.779 45.744 45.100 -0.226 0.000 0.775 363 G HN 0.451 nan 8.290 nan 0.000 0.543 364 I N 0.412 120.995 120.570 0.021 0.000 2.567 364 I HA -0.128 4.051 4.170 0.015 0.000 0.257 364 I C 2.627 178.754 176.117 0.017 0.000 1.184 364 I CA 0.211 61.527 61.300 0.027 0.000 1.451 364 I CB -0.076 37.954 38.000 0.049 0.000 1.089 364 I HN 0.044 nan 8.210 nan 0.000 0.441 365 V N 1.183 121.129 119.914 0.053 0.000 2.255 365 V HA -0.236 3.893 4.120 0.015 0.000 0.243 365 V C 2.116 178.190 176.094 -0.034 0.000 1.038 365 V CA 1.826 64.137 62.300 0.018 0.000 1.008 365 V CB -0.718 31.146 31.823 0.068 0.000 0.645 365 V HN 0.436 nan 8.190 nan 0.000 0.449 366 N N 1.215 119.924 118.700 0.014 0.000 2.096 366 N HA -0.225 4.524 4.740 0.015 0.000 0.195 366 N C 1.761 177.273 175.510 0.003 0.000 1.017 366 N CA 1.891 54.938 53.050 -0.006 0.000 0.870 366 N CB -0.686 37.788 38.487 -0.021 0.000 1.024 366 N HN 0.522 nan 8.380 nan 0.000 0.434 367 A N 0.173 122.974 122.820 -0.032 0.000 2.015 367 A HA 0.010 4.339 4.320 0.015 0.000 0.219 367 A C 1.490 179.092 177.584 0.030 0.000 1.163 367 A CA 0.753 52.806 52.037 0.026 0.000 0.646 367 A CB -0.306 18.666 19.000 -0.047 0.000 0.806 367 A HN 0.209 nan 8.150 nan 0.000 0.448 368 S N 0.134 115.786 115.700 -0.082 0.000 3.864 368 S HA 0.304 4.783 4.470 0.015 0.000 0.202 368 S C 0.446 174.912 174.600 -0.224 0.000 1.402 368 S CA -0.239 57.897 58.200 -0.107 0.000 1.072 368 S CB -1.341 61.803 63.200 -0.094 0.000 1.383 368 S HN 0.509 nan 8.310 nan 0.000 0.458 369 F N 1.666 121.210 119.950 -0.677 0.000 2.588 369 F HA -0.516 4.020 4.527 0.015 0.000 0.226 369 F C 2.514 177.723 175.800 -0.986 0.000 1.401 369 F CA 2.149 59.447 58.000 -1.169 0.000 1.914 369 F CB -1.321 37.384 39.000 -0.491 0.000 0.514 369 F HN 0.501 nan 8.300 nan 0.000 0.319 370 T N 0.077 114.282 114.554 -0.582 0.000 2.759 370 T HA -0.191 4.168 4.350 0.015 0.000 0.269 370 T C 1.448 175.918 174.700 -0.383 0.000 1.042 370 T CA 1.814 63.600 62.100 -0.523 0.000 1.140 370 T CB -0.770 67.881 68.868 -0.361 0.000 0.864 370 T HN 0.347 nan 8.240 nan 0.000 0.455 371 L N 2.133 123.159 121.223 -0.329 0.000 2.263 371 L HA -0.026 4.323 4.340 0.015 0.000 0.216 371 L C 2.276 178.949 176.870 -0.328 0.000 1.111 371 L CA 1.519 56.194 54.840 -0.274 0.000 0.773 371 L CB -1.291 40.634 42.059 -0.223 0.000 0.906 371 L HN 0.330 nan 8.230 nan 0.000 0.439 372 D N -1.440 118.683 120.400 -0.462 0.000 2.263 372 D HA -0.224 4.425 4.640 0.015 0.000 0.208 372 D C 2.091 178.200 176.300 -0.319 0.000 0.971 372 D CA 0.916 54.692 54.000 -0.374 0.000 0.867 372 D CB -0.049 40.540 40.800 -0.353 0.000 0.929 372 D HN 0.456 nan 8.370 nan 0.000 0.492 373 Y N -0.756 119.460 120.300 -0.140 0.000 2.315 373 Y HA -0.149 4.410 4.550 0.015 0.000 0.288 373 Y C 2.330 178.185 175.900 -0.075 0.000 1.154 373 Y CA 0.276 58.323 58.100 -0.088 0.000 1.229 373 Y CB -0.032 38.349 38.460 -0.131 0.000 0.980 373 Y HN -0.034 nan 8.280 nan 0.000 0.540 374 V N -0.686 119.211 119.914 -0.029 0.000 2.548 374 V HA -0.172 3.957 4.120 0.015 0.000 0.249 374 V C 1.652 177.669 176.094 -0.128 0.000 1.055 374 V CA 1.709 63.953 62.300 -0.094 0.000 1.065 374 V CB -0.115 31.586 31.823 -0.202 0.000 0.681 374 V HN 0.464 nan 8.190 nan 0.000 0.462 375 V N -3.528 116.284 119.914 -0.169 0.000 3.398 375 V HA 0.392 4.521 4.120 0.015 0.000 0.298 375 V C 0.674 176.793 176.094 0.041 0.000 1.496 375 V CA -0.406 61.784 62.300 -0.183 0.000 1.044 375 V CB -0.660 30.746 31.823 -0.695 0.000 0.880 375 V HN 0.516 nan 8.190 nan 0.000 0.443 376 H N 2.467 121.541 119.070 0.007 0.000 2.886 376 H HA 0.307 4.872 4.556 0.015 0.000 0.329 376 H C 1.099 176.506 175.328 0.131 0.000 1.044 376 H CA 1.434 57.536 56.048 0.090 0.000 1.456 376 H CB 0.274 30.093 29.762 0.094 0.000 1.464 376 H HN 0.402 nan 8.280 nan 0.000 0.573 377 N N 1.258 119.763 118.700 -0.325 0.000 2.863 377 N HA -0.233 4.516 4.740 0.015 0.000 0.245 377 N C -0.157 175.353 175.510 0.000 0.000 1.001 377 N CA 1.548 54.476 53.050 -0.203 0.000 0.901 377 N CB -1.562 36.763 38.487 -0.271 0.000 1.124 377 N HN 0.839 nan 8.380 nan 0.000 0.582 378 T N -4.135 110.450 114.554 0.051 0.000 2.814 378 T HA 0.691 5.050 4.350 0.015 0.000 0.284 378 T C 1.527 176.263 174.700 0.060 0.000 0.998 378 T CA 0.039 62.182 62.100 0.071 0.000 0.935 378 T CB 1.245 70.167 68.868 0.089 0.000 1.167 378 T HN 0.130 nan 8.240 nan 0.000 0.545 379 A N -0.463 122.360 122.820 0.006 0.000 2.172 379 A HA 0.041 4.370 4.320 0.015 0.000 0.216 379 A C 1.882 179.395 177.584 -0.119 0.000 1.154 379 A CA 0.639 52.593 52.037 -0.137 0.000 0.701 379 A CB -1.291 17.598 19.000 -0.186 0.000 0.789 379 A HN 0.900 nan 8.150 nan 0.000 0.465 380 W N 0.816 122.011 121.300 -0.175 0.000 2.342 380 W HA -0.185 4.485 4.660 0.015 0.000 0.297 380 W C 1.376 177.727 176.519 -0.280 0.000 1.213 380 W CA 2.140 59.339 57.345 -0.243 0.000 1.251 380 W CB -0.356 29.045 29.460 -0.098 0.000 1.136 380 W HN 0.212 nan 8.180 nan 0.000 0.526 381 V N 2.116 122.085 119.914 0.093 0.000 2.323 381 V HA -0.202 3.927 4.120 0.015 0.000 0.244 381 V C -0.572 175.354 176.094 -0.280 0.000 1.041 381 V CA 2.138 64.517 62.300 0.132 0.000 1.025 381 V CB -2.210 29.825 31.823 0.354 0.000 0.656 381 V HN -0.064 nan 8.190 nan 0.000 0.451 382 P HA -0.059 nan 4.420 nan 0.000 0.220 382 P C 1.700 178.471 177.300 -0.880 0.000 1.148 382 P CA 1.642 63.983 63.100 -1.264 0.000 0.803 382 P CB -0.289 31.054 31.700 -0.595 0.000 0.782 383 G N 0.121 108.499 108.800 -0.704 0.000 2.552 383 G HA2 -0.341 3.628 3.960 0.015 0.000 0.216 383 G HA3 -0.341 3.628 3.960 0.015 0.000 0.216 383 G C 1.476 176.038 174.900 -0.564 0.000 1.240 383 G CA 1.523 46.186 45.100 -0.728 0.000 0.796 383 G HN 0.269 nan 8.290 nan 0.000 0.568 384 H N 1.514 120.089 119.070 -0.825 0.000 2.278 384 H HA -0.272 4.293 4.556 0.015 0.000 0.287 384 H C 2.139 177.427 175.328 -0.067 0.000 1.107 384 H CA 2.889 58.758 56.048 -0.298 0.000 1.192 384 H CB -0.795 28.842 29.762 -0.208 0.000 1.346 384 H HN 0.496 nan 8.280 nan 0.000 0.478 385 F N -1.863 117.926 119.950 -0.268 0.000 2.473 385 F HA 0.171 4.707 4.527 0.015 0.000 0.294 385 F C 2.152 177.874 175.800 -0.130 0.000 1.103 385 F CA 0.668 58.497 58.000 -0.285 0.000 1.442 385 F CB -1.050 37.914 39.000 -0.059 0.000 1.097 385 F HN 0.148 nan 8.300 nan 0.000 0.547 386 H N 1.012 119.983 119.070 -0.164 0.000 2.387 386 H HA -0.075 4.490 4.556 0.015 0.000 0.299 386 H C 2.088 177.412 175.328 -0.007 0.000 1.099 386 H CA 2.167 58.184 56.048 -0.052 0.000 1.315 386 H CB -0.523 29.139 29.762 -0.168 0.000 1.380 386 H HN 0.322 nan 8.280 nan 0.000 0.513 387 L N 0.010 121.276 121.223 0.071 0.000 2.201 387 L HA -0.187 4.162 4.340 0.015 0.000 0.212 387 L C 1.989 178.977 176.870 0.196 0.000 1.105 387 L CA 0.877 55.779 54.840 0.104 0.000 0.775 387 L CB -0.077 42.019 42.059 0.061 0.000 0.913 387 L HN 0.375 nan 8.230 nan 0.000 0.440 388 Q N -1.399 118.489 119.800 0.146 0.000 2.159 388 Q HA -0.028 4.321 4.340 0.015 0.000 0.194 388 Q C 2.185 178.337 176.000 0.254 0.000 0.968 388 Q CA 1.170 57.155 55.803 0.304 0.000 0.837 388 Q CB -0.485 28.355 28.738 0.172 0.000 0.920 388 Q HN 0.323 nan 8.270 nan 0.000 0.485 389 V N 0.606 120.627 119.914 0.178 0.000 2.685 389 V HA 0.150 4.279 4.120 0.015 0.000 0.244 389 V C 1.808 177.921 176.094 0.031 0.000 1.054 389 V CA 1.423 63.793 62.300 0.117 0.000 1.076 389 V CB -0.035 31.854 31.823 0.109 0.000 0.725 389 V HN 0.299 nan 8.190 nan 0.000 0.467 390 A N -1.191 121.637 122.820 0.013 0.000 2.123 390 A HA 0.045 4.374 4.320 0.015 0.000 0.214 390 A C 2.279 180.010 177.584 0.244 0.000 1.152 390 A CA 1.575 53.641 52.037 0.047 0.000 0.728 390 A CB -0.232 18.726 19.000 -0.072 0.000 0.814 390 A HN 0.565 nan 8.150 nan 0.000 0.464 391 S N -1.080 114.742 115.700 0.204 0.000 2.826 391 S HA 0.082 4.561 4.470 0.015 0.000 0.193 391 S C 1.785 176.493 174.600 0.181 0.000 0.838 391 S CA 0.599 58.959 58.200 0.267 0.000 0.844 391 S CB -0.835 62.502 63.200 0.229 0.000 0.816 391 S HN 0.403 nan 8.310 nan 0.000 0.626 392 L N 2.481 123.801 121.223 0.161 0.000 1.965 392 L HA -0.102 4.247 4.340 0.015 0.000 0.226 392 L C 2.352 179.208 176.870 -0.022 0.000 1.083 392 L CA 2.460 57.325 54.840 0.042 0.000 0.790 392 L CB -0.991 41.032 42.059 -0.059 0.000 0.898 392 L HN 0.344 nan 8.230 nan 0.000 0.439 393 V N -0.789 119.123 119.914 -0.004 0.000 2.223 393 V HA -0.329 3.800 4.120 0.015 0.000 0.244 393 V C 2.475 178.526 176.094 -0.070 0.000 1.045 393 V CA 2.418 64.703 62.300 -0.024 0.000 1.000 393 V CB -1.082 30.762 31.823 0.035 0.000 0.635 393 V HN 0.637 nan 8.190 nan 0.000 0.445 394 T N 0.485 115.011 114.554 -0.046 0.000 2.653 394 T HA -0.252 4.107 4.350 0.015 0.000 0.268 394 T C 1.861 176.380 174.700 -0.302 0.000 1.035 394 T CA 1.981 63.961 62.100 -0.200 0.000 1.154 394 T CB -0.407 68.261 68.868 -0.333 0.000 0.862 394 T HN 0.266 nan 8.240 nan 0.000 0.441 395 L N 0.393 121.483 121.223 -0.223 0.000 2.093 395 L HA -0.115 4.234 4.340 0.015 0.000 0.208 395 L C 2.885 179.645 176.870 -0.184 0.000 1.085 395 L CA 1.158 55.844 54.840 -0.256 0.000 0.755 395 L CB -0.935 41.041 42.059 -0.137 0.000 0.904 395 L HN 0.321 nan 8.230 nan 0.000 0.435 396 T N -0.037 114.443 114.554 -0.125 0.000 2.569 396 T HA -0.265 4.094 4.350 0.015 0.000 0.263 396 T C 2.003 176.691 174.700 -0.020 0.000 1.074 396 T CA 1.452 63.528 62.100 -0.041 0.000 1.176 396 T CB -0.540 68.334 68.868 0.011 0.000 0.863 396 T HN 0.452 nan 8.240 nan 0.000 0.410 397 A N 1.943 124.632 122.820 -0.218 0.000 1.893 397 A HA -0.333 3.996 4.320 0.015 0.000 0.222 397 A C 2.377 179.986 177.584 0.042 0.000 1.309 397 A CA 2.800 54.618 52.037 -0.363 0.000 0.681 397 A CB -1.210 17.120 19.000 -1.116 0.000 0.842 397 A HN 0.540 nan 8.150 nan 0.000 0.468 398 M N -1.346 118.256 119.600 0.004 0.000 2.089 398 M HA -0.211 4.278 4.480 0.015 0.000 0.257 398 M C 2.207 178.567 176.300 0.100 0.000 1.071 398 M CA 1.821 57.154 55.300 0.056 0.000 1.096 398 M CB -0.680 31.720 32.600 -0.334 0.000 1.330 398 M HN 0.598 nan 8.290 nan 0.000 0.403 399 G N -1.425 107.373 108.800 -0.004 0.000 2.511 399 G HA2 -0.068 3.901 3.960 0.015 0.000 0.217 399 G HA3 -0.068 3.901 3.960 0.015 0.000 0.217 399 G C 0.980 176.013 174.900 0.221 0.000 1.133 399 G CA 0.304 45.403 45.100 -0.002 0.000 0.792 399 G HN 0.446 nan 8.290 nan 0.000 0.539 400 S N 0.527 116.334 115.700 0.178 0.000 2.667 400 S HA 0.315 4.794 4.470 0.015 0.000 0.251 400 S C 1.200 175.678 174.600 -0.204 0.000 1.075 400 S CA -0.218 57.932 58.200 -0.083 0.000 1.130 400 S CB 0.072 63.322 63.200 0.084 0.000 0.795 400 S HN 0.241 nan 8.310 nan 0.000 0.462 401 L N -0.701 120.548 121.223 0.042 0.000 2.590 401 L HA 0.280 4.629 4.340 0.015 0.000 0.227 401 L C 0.524 177.236 176.870 -0.262 0.000 1.099 401 L CA 0.533 55.278 54.840 -0.159 0.000 0.872 401 L CB 0.033 41.991 42.059 -0.169 0.000 1.088 401 L HN 0.422 nan 8.230 nan 0.000 0.479 402 Y N -1.225 118.998 120.300 -0.128 0.000 2.607 402 Y HA 0.037 4.596 4.550 0.015 0.000 0.266 402 Y C 1.295 177.275 175.900 0.133 0.000 1.178 402 Y CA -0.355 57.754 58.100 0.014 0.000 1.226 402 Y CB 0.379 38.885 38.460 0.077 0.000 1.144 402 Y HN 0.322 nan 8.280 nan 0.000 0.528 403 W N -3.425 117.937 121.300 0.103 0.000 2.646 403 W HA 0.096 4.761 4.660 0.010 0.000 0.162 403 W C 0.218 176.758 176.519 0.034 0.000 0.850 403 W CA -0.109 57.271 57.345 0.058 0.000 1.165 403 W CB -0.777 28.725 29.460 0.069 0.000 0.644 403 W HN 0.030 nan 8.180 nan 0.000 0.771 404 L N 1.801 122.473 121.223 -0.919 0.000 2.270 404 L HA 0.211 4.560 4.340 0.015 0.000 0.210 404 L C 2.090 178.744 176.870 -0.361 0.000 1.104 404 L CA 1.417 55.767 54.840 -0.817 0.000 0.804 404 L CB -0.723 40.596 42.059 -1.234 0.000 0.937 404 L HN -0.019 nan 8.230 nan 0.000 0.450 405 L N 0.219 121.250 121.223 -0.319 0.000 2.034 405 L HA 0.056 4.405 4.340 0.015 0.000 0.203 405 L C -0.452 176.324 176.870 -0.157 0.000 1.074 405 L CA 1.783 56.483 54.840 -0.234 0.000 0.748 405 L CB -1.658 40.236 42.059 -0.275 0.000 0.905 405 L HN 0.120 nan 8.230 nan 0.000 0.439 406 P HA -0.186 nan 4.420 nan 0.000 0.217 406 P C 0.826 178.096 177.300 -0.051 0.000 1.148 406 P CA 1.287 64.347 63.100 -0.067 0.000 0.828 406 P CB -0.160 31.523 31.700 -0.028 0.000 0.783 407 N N -0.756 117.919 118.700 -0.042 0.000 2.471 407 N HA 0.026 4.775 4.740 0.015 0.000 0.205 407 N C 0.688 176.148 175.510 -0.084 0.000 1.251 407 N CA 0.518 53.554 53.050 -0.022 0.000 0.843 407 N CB -0.182 38.341 38.487 0.060 0.000 1.044 407 N HN 0.206 nan 8.380 nan 0.000 0.461 408 L N -1.344 119.790 121.223 -0.149 0.000 3.467 408 L HA 0.118 4.467 4.340 0.015 0.000 0.315 408 L C -0.532 176.193 176.870 -0.243 0.000 1.184 408 L CA 0.202 54.888 54.840 -0.257 0.000 1.124 408 L CB 0.905 42.786 42.059 -0.296 0.000 1.585 408 L HN 0.057 nan 8.230 nan 0.000 0.617 409 T N -3.415 111.073 114.554 -0.111 0.000 3.505 409 T HA 0.327 4.686 4.350 0.015 0.000 0.308 409 T C 1.000 175.705 174.700 0.008 0.000 0.767 409 T CA -0.011 62.096 62.100 0.011 0.000 1.194 409 T CB 0.973 69.886 68.868 0.076 0.000 0.997 409 T HN 0.207 nan 8.240 nan 0.000 0.504 410 G N 3.291 112.099 108.800 0.013 0.000 3.336 410 G HA2 -0.461 3.508 3.960 0.015 0.000 0.378 410 G HA3 -0.461 3.508 3.960 0.015 0.000 0.378 410 G C 0.512 175.408 174.900 -0.006 0.000 2.092 410 G CA 1.349 46.456 45.100 0.011 0.000 2.370 410 G HN 0.998 nan 8.290 nan 0.000 0.944 411 K N 2.094 122.489 120.400 -0.009 0.000 2.326 411 K HA -0.032 4.297 4.320 0.015 0.000 0.245 411 K C -1.928 174.645 176.600 -0.044 0.000 1.229 411 K CA 0.530 56.800 56.287 -0.029 0.000 1.238 411 K CB 0.065 32.540 32.500 -0.042 0.000 0.730 411 K HN 0.400 nan 8.250 nan 0.000 0.524 412 P HA 0.226 nan 4.420 nan 0.000 0.282 412 P C -0.460 176.815 177.300 -0.043 0.000 1.287 412 P CA -0.620 62.464 63.100 -0.027 0.000 0.792 412 P CB 0.686 32.383 31.700 -0.006 0.000 1.163 413 I N 0.260 120.816 120.570 -0.024 0.000 2.321 413 I HA 0.189 4.368 4.170 0.015 0.000 0.291 413 I C 0.967 177.092 176.117 0.015 0.000 0.998 413 I CA 0.113 61.398 61.300 -0.025 0.000 1.227 413 I CB 0.785 38.776 38.000 -0.016 0.000 1.368 413 I HN 0.332 nan 8.210 nan 0.000 0.466 414 S N 2.641 118.345 115.700 0.008 0.000 2.645 414 S HA 0.220 4.699 4.470 0.015 0.000 0.266 414 S C 0.709 175.336 174.600 0.046 0.000 1.258 414 S CA -0.430 57.783 58.200 0.022 0.000 0.990 414 S CB 0.938 64.143 63.200 0.009 0.000 0.967 414 S HN 0.667 nan 8.310 nan 0.000 0.556 415 D N 0.389 120.816 120.400 0.045 0.000 2.347 415 D HA 0.195 4.844 4.640 0.015 0.000 0.213 415 D C 1.822 178.157 176.300 0.058 0.000 0.985 415 D CA 0.864 54.897 54.000 0.056 0.000 0.879 415 D CB -0.256 40.573 40.800 0.048 0.000 0.919 415 D HN 0.655 nan 8.370 nan 0.000 0.526 416 A N 0.100 122.949 122.820 0.049 0.000 1.855 416 A HA -0.199 4.130 4.320 0.015 0.000 0.215 416 A C 2.100 179.720 177.584 0.060 0.000 1.191 416 A CA 1.266 53.334 52.037 0.052 0.000 0.613 416 A CB -0.572 18.451 19.000 0.039 0.000 0.829 416 A HN 0.244 nan 8.150 nan 0.000 0.442 417 Q N -0.966 118.864 119.800 0.050 0.000 2.084 417 Q HA -0.158 4.191 4.340 0.015 0.000 0.202 417 Q C 2.366 178.473 176.000 0.178 0.000 0.978 417 Q CA 1.516 57.361 55.803 0.071 0.000 0.844 417 Q CB -0.226 28.521 28.738 0.014 0.000 0.898 417 Q HN 0.657 nan 8.270 nan 0.000 0.426 418 R N 1.043 121.642 120.500 0.166 0.000 2.083 418 R HA -0.146 4.203 4.340 0.015 0.000 0.237 418 R C 1.839 178.223 176.300 0.141 0.000 1.137 418 R CA 1.503 57.712 56.100 0.183 0.000 0.951 418 R CB 0.027 30.411 30.300 0.141 0.000 0.851 418 R HN 0.145 nan 8.270 nan 0.000 0.434 419 R N -0.119 120.452 120.500 0.118 0.000 2.276 419 R HA -0.024 4.325 4.340 0.015 0.000 0.203 419 R C 1.922 178.294 176.300 0.120 0.000 1.017 419 R CA 0.357 56.523 56.100 0.110 0.000 1.010 419 R CB 0.029 30.384 30.300 0.090 0.000 0.900 419 R HN 0.210 nan 8.270 nan 0.000 0.469 420 L N -0.818 120.481 121.223 0.127 0.000 2.354 420 L HA 0.213 4.561 4.340 0.015 0.000 0.212 420 L C 2.009 178.966 176.870 0.145 0.000 1.091 420 L CA 0.801 55.723 54.840 0.137 0.000 0.828 420 L CB 0.037 42.165 42.059 0.115 0.000 0.973 420 L HN 0.091 nan 8.230 nan 0.000 0.461 421 G N -0.599 108.287 108.800 0.145 0.000 2.471 421 G HA2 -0.159 3.810 3.960 0.015 0.000 0.219 421 G HA3 -0.159 3.810 3.960 0.015 0.000 0.219 421 G C 1.358 176.207 174.900 -0.085 0.000 1.125 421 G CA 0.493 45.573 45.100 -0.033 0.000 0.775 421 G HN 0.305 nan 8.290 nan 0.000 0.548 422 L N -0.227 121.030 121.223 0.057 0.000 2.664 422 L HA 0.391 4.740 4.340 0.015 0.000 0.233 422 L C 2.464 179.499 176.870 0.275 0.000 1.113 422 L CA 0.892 55.821 54.840 0.148 0.000 0.896 422 L CB 0.236 42.402 42.059 0.179 0.000 1.163 422 L HN 0.305 nan 8.230 nan 0.000 0.497 423 A N -1.128 121.820 122.820 0.213 0.000 2.035 423 A HA 0.041 4.370 4.320 0.015 0.000 0.208 423 A C 2.031 179.764 177.584 0.248 0.000 1.206 423 A CA 0.368 52.545 52.037 0.234 0.000 0.773 423 A CB -0.019 19.081 19.000 0.167 0.000 0.878 423 A HN 0.085 nan 8.150 nan 0.000 0.469 424 V N -0.095 119.944 119.914 0.208 0.000 2.237 424 V HA -0.242 3.887 4.120 0.015 0.000 0.245 424 V C 2.594 178.811 176.094 0.205 0.000 1.046 424 V CA 2.320 64.749 62.300 0.216 0.000 1.007 424 V CB -0.607 31.342 31.823 0.210 0.000 0.638 424 V HN 0.343 nan 8.190 nan 0.000 0.445 425 V N -1.638 118.345 119.914 0.115 0.000 2.287 425 V HA -0.300 3.829 4.120 0.015 0.000 0.248 425 V C 2.058 178.238 176.094 0.142 0.000 1.053 425 V CA 2.329 64.645 62.300 0.027 0.000 1.027 425 V CB -0.745 31.004 31.823 -0.123 0.000 0.646 425 V HN 0.681 nan 8.190 nan 0.000 0.447 426 W N -0.415 120.977 121.300 0.154 0.000 2.374 426 W HA -0.075 4.594 4.660 0.015 0.000 0.288 426 W C 2.271 178.940 176.519 0.251 0.000 1.218 426 W CA 0.948 58.419 57.345 0.209 0.000 1.245 426 W CB -0.240 29.308 29.460 0.146 0.000 1.126 426 W HN 0.175 nan 8.180 nan 0.000 0.545 427 L N -1.323 120.159 121.223 0.431 0.000 2.179 427 L HA -0.153 4.196 4.340 0.015 0.000 0.208 427 L C 2.306 179.338 176.870 0.270 0.000 1.096 427 L CA 0.716 55.738 54.840 0.304 0.000 0.779 427 L CB -0.801 41.395 42.059 0.229 0.000 0.922 427 L HN 0.213 nan 8.230 nan 0.000 0.443 428 W N 0.317 121.679 121.300 0.103 0.000 2.436 428 W HA -0.233 4.437 4.660 0.017 0.000 0.284 428 W C 2.293 178.848 176.519 0.061 0.000 1.225 428 W CA 1.149 58.518 57.345 0.039 0.000 1.271 428 W CB -0.176 29.274 29.460 -0.017 0.000 1.114 428 W HN 0.180 nan 8.180 nan 0.000 0.559 429 F N 0.748 120.840 119.950 0.237 0.000 2.163 429 F HA -0.193 4.343 4.527 0.015 0.000 0.297 429 F C 1.914 177.758 175.800 0.073 0.000 1.094 429 F CA 1.432 59.495 58.000 0.106 0.000 1.290 429 F CB -0.610 38.371 39.000 -0.031 0.000 1.017 429 F HN -0.323 nan 8.300 nan 0.000 0.483 430 L N 0.653 121.887 121.223 0.018 0.000 2.179 430 L HA 0.094 4.443 4.340 0.015 0.000 0.208 430 L C 2.716 179.494 176.870 -0.154 0.000 1.096 430 L CA 1.519 56.293 54.840 -0.110 0.000 0.779 430 L CB -2.210 39.924 42.059 0.125 0.000 0.922 430 L HN 0.331 nan 8.230 nan 0.000 0.443 431 G N -0.267 108.464 108.800 -0.115 0.000 2.587 431 G HA2 -0.310 3.659 3.960 0.015 0.000 0.217 431 G HA3 -0.310 3.659 3.960 0.015 0.000 0.217 431 G C 1.541 176.299 174.900 -0.237 0.000 1.240 431 G CA 0.904 45.896 45.100 -0.180 0.000 0.794 431 G HN 0.157 nan 8.290 nan 0.000 0.580 432 M N 0.038 119.459 119.600 -0.299 0.000 2.124 432 M HA -0.146 4.343 4.480 0.015 0.000 0.253 432 M C 2.621 178.787 176.300 -0.223 0.000 1.077 432 M CA 1.441 56.588 55.300 -0.256 0.000 1.085 432 M CB -1.154 31.330 32.600 -0.194 0.000 1.320 432 M HN 0.199 nan 8.290 nan 0.000 0.404 433 M N -0.305 119.109 119.600 -0.309 0.000 2.077 433 M HA -0.093 4.396 4.480 0.015 0.000 0.261 433 M C 2.392 178.628 176.300 -0.107 0.000 1.070 433 M CA 1.538 56.682 55.300 -0.260 0.000 1.125 433 M CB -1.389 30.978 32.600 -0.389 0.000 1.339 433 M HN 0.262 nan 8.290 nan 0.000 0.409 434 I N -0.451 120.078 120.570 -0.068 0.000 2.185 434 I HA -0.359 3.820 4.170 0.015 0.000 0.246 434 I C 2.702 178.864 176.117 0.076 0.000 1.088 434 I CA 1.461 62.803 61.300 0.071 0.000 1.347 434 I CB -0.548 37.447 38.000 -0.008 0.000 1.041 434 I HN 0.313 nan 8.210 nan 0.000 0.415 435 M N 0.338 119.901 119.600 -0.061 0.000 2.200 435 M HA -0.143 4.345 4.480 0.015 0.000 0.265 435 M C 2.522 178.757 176.300 -0.110 0.000 1.066 435 M CA 1.689 56.920 55.300 -0.114 0.000 1.127 435 M CB -0.127 32.332 32.600 -0.235 0.000 1.379 435 M HN 0.334 nan 8.290 nan 0.000 0.420 436 A N -0.149 122.622 122.820 -0.083 0.000 1.873 436 A HA -0.181 4.148 4.320 0.015 0.000 0.218 436 A C 2.036 179.661 177.584 0.068 0.000 1.193 436 A CA 2.205 54.247 52.037 0.010 0.000 0.629 436 A CB -1.215 17.764 19.000 -0.035 0.000 0.826 436 A HN 0.373 nan 8.150 nan 0.000 0.447 437 V N -0.290 119.630 119.914 0.010 0.000 2.237 437 V HA -0.179 3.950 4.120 0.015 0.000 0.245 437 V C 2.856 178.959 176.094 0.015 0.000 1.046 437 V CA 2.182 64.471 62.300 -0.018 0.000 1.007 437 V CB -1.527 30.258 31.823 -0.063 0.000 0.638 437 V HN 0.637 nan 8.190 nan 0.000 0.445 438 G N -0.462 108.332 108.800 -0.010 0.000 2.418 438 G HA2 -0.195 3.774 3.960 0.015 0.000 0.217 438 G HA3 -0.195 3.774 3.960 0.015 0.000 0.217 438 G C 1.483 176.360 174.900 -0.038 0.000 1.158 438 G CA 0.746 45.813 45.100 -0.054 0.000 0.771 438 G HN 0.343 nan 8.290 nan 0.000 0.545 439 L N 0.287 121.464 121.223 -0.076 0.000 2.093 439 L HA 0.050 4.399 4.340 0.015 0.000 0.208 439 L C 2.484 179.305 176.870 -0.082 0.000 1.085 439 L CA 1.481 56.225 54.840 -0.160 0.000 0.755 439 L CB -1.248 40.615 42.059 -0.327 0.000 0.904 439 L HN 0.293 nan 8.230 nan 0.000 0.435 440 H N -3.066 115.945 119.070 -0.099 0.000 2.363 440 H HA -0.208 4.357 4.556 0.015 0.000 0.301 440 H C 1.747 177.212 175.328 0.229 0.000 1.074 440 H CA 1.876 57.895 56.048 -0.048 0.000 1.354 440 H CB -0.225 29.375 29.762 -0.270 0.000 1.397 440 H HN 0.349 nan 8.280 nan 0.000 0.516 441 W N 1.680 123.024 121.300 0.074 0.000 2.425 441 W HA 0.025 4.694 4.660 0.015 0.000 0.277 441 W C 2.113 178.657 176.519 0.042 0.000 1.231 441 W CA 1.351 58.718 57.345 0.036 0.000 1.248 441 W CB -0.644 28.759 29.460 -0.094 0.000 1.117 441 W HN 0.160 nan 8.180 nan 0.000 0.568 442 A N 0.458 123.394 122.820 0.193 0.000 1.898 442 A HA 0.091 4.420 4.320 0.015 0.000 0.214 442 A C 2.333 179.978 177.584 0.100 0.000 1.183 442 A CA 1.727 53.795 52.037 0.053 0.000 0.622 442 A CB -1.441 17.546 19.000 -0.021 0.000 0.824 442 A HN 0.286 nan 8.150 nan 0.000 0.444 443 G N -0.006 108.880 108.800 0.145 0.000 2.422 443 G HA2 -0.162 3.807 3.960 0.015 0.000 0.218 443 G HA3 -0.162 3.807 3.960 0.015 0.000 0.218 443 G C 1.505 176.506 174.900 0.169 0.000 1.146 443 G CA 1.054 46.250 45.100 0.161 0.000 0.769 443 G HN 0.425 nan 8.290 nan 0.000 0.547 444 L N -0.171 121.197 121.223 0.241 0.000 2.201 444 L HA 0.124 4.473 4.340 0.015 0.000 0.212 444 L C 2.367 179.324 176.870 0.145 0.000 1.105 444 L CA 0.327 55.269 54.840 0.170 0.000 0.775 444 L CB -0.158 42.024 42.059 0.205 0.000 0.913 444 L HN 0.163 nan 8.230 nan 0.000 0.440 445 L N -0.547 120.788 121.223 0.188 0.000 2.599 445 L HA 0.043 4.392 4.340 0.015 0.000 0.230 445 L C 0.363 177.305 176.870 0.120 0.000 1.141 445 L CA 0.297 55.233 54.840 0.160 0.000 0.877 445 L CB -0.368 41.801 42.059 0.184 0.000 1.009 445 L HN 0.410 nan 8.230 nan 0.000 0.447 446 N N -3.003 115.747 118.700 0.085 0.000 2.997 446 N HA -0.147 4.602 4.740 0.015 0.000 0.214 446 N C -0.084 175.424 175.510 -0.004 0.000 0.904 446 N CA 0.120 53.210 53.050 0.067 0.000 1.021 446 N CB -1.004 37.548 38.487 0.109 0.000 1.040 446 N HN -0.021 nan 8.380 nan 0.000 0.573 447 V N 2.545 122.383 119.914 -0.127 0.000 2.540 447 V HA 0.129 4.258 4.120 0.015 0.000 0.297 447 V C -1.397 174.616 176.094 -0.134 0.000 1.024 447 V CA -0.381 61.679 62.300 -0.400 0.000 1.105 447 V CB 0.161 31.770 31.823 -0.356 0.000 0.938 447 V HN 0.047 nan 8.190 nan 0.000 0.482 448 P HA 0.213 nan 4.420 nan 0.000 0.273 448 P C -0.552 176.839 177.300 0.152 0.000 1.250 448 P CA -0.452 62.685 63.100 0.063 0.000 0.793 448 P CB 0.731 32.497 31.700 0.111 0.000 1.011 449 R N 0.096 120.692 120.500 0.159 0.000 2.797 449 R HA 0.533 4.882 4.340 0.015 0.000 0.251 449 R C -0.135 176.341 176.300 0.293 0.000 1.107 449 R CA -0.883 55.333 56.100 0.193 0.000 1.084 449 R CB 0.432 30.801 30.300 0.116 0.000 1.205 449 R HN 0.291 nan 8.270 nan 0.000 0.515 450 R N -1.091 119.612 120.500 0.339 0.000 3.301 450 R HA -0.219 4.130 4.340 0.015 0.000 0.249 450 R C -1.170 175.399 176.300 0.449 0.000 0.964 450 R CA 0.797 57.142 56.100 0.408 0.000 0.653 450 R CB -2.396 28.126 30.300 0.369 0.000 1.043 450 R HN 0.655 nan 8.270 nan 0.000 0.454 451 A N 0.547 123.562 122.820 0.326 0.000 2.381 451 A HA 0.340 4.669 4.320 0.015 0.000 0.299 451 A C -0.581 176.773 177.584 -0.382 0.000 1.049 451 A CA -0.645 51.456 52.037 0.106 0.000 0.715 451 A CB 0.953 20.033 19.000 0.133 0.000 1.222 451 A HN 0.450 nan 8.150 nan 0.000 0.428 452 Y N 4.686 124.536 120.300 -0.750 0.000 3.267 452 Y HA 0.020 4.579 4.550 0.015 0.000 0.381 452 Y C 1.488 177.048 175.900 -0.565 0.000 1.023 452 Y CA 0.169 57.616 58.100 -1.087 0.000 2.048 452 Y CB -0.368 37.583 38.460 -0.848 0.000 2.239 452 Y HN 0.763 nan 8.280 nan 0.000 0.410 453 I N -1.335 119.016 120.570 -0.365 0.000 2.623 453 I HA -0.257 3.922 4.170 0.015 0.000 0.261 453 I C 2.050 178.053 176.117 -0.189 0.000 1.204 453 I CA 1.417 62.603 61.300 -0.190 0.000 1.444 453 I CB -0.436 37.463 38.000 -0.168 0.000 1.094 453 I HN 0.345 nan 8.210 nan 0.000 0.451 454 A N 0.617 123.294 122.820 -0.238 0.000 2.121 454 A HA -0.139 4.190 4.320 0.015 0.000 0.218 454 A C 2.298 179.702 177.584 -0.301 0.000 1.154 454 A CA 1.245 53.166 52.037 -0.193 0.000 0.679 454 A CB -0.514 18.443 19.000 -0.071 0.000 0.795 454 A HN 0.660 nan 8.150 nan 0.000 0.458 455 Q N -0.614 118.884 119.800 -0.503 0.000 2.398 455 Q HA 0.041 4.390 4.340 0.015 0.000 0.204 455 Q C 0.298 176.127 176.000 -0.285 0.000 0.932 455 Q CA 0.964 56.469 55.803 -0.496 0.000 0.916 455 Q CB 0.286 28.585 28.738 -0.731 0.000 1.024 455 Q HN 0.605 nan 8.270 nan 0.000 0.504 456 V N -1.587 118.190 119.914 -0.227 0.000 2.611 456 V HA 0.246 4.375 4.120 0.015 0.000 0.286 456 V C -2.047 173.950 176.094 -0.162 0.000 1.118 456 V CA -1.304 60.889 62.300 -0.178 0.000 1.334 456 V CB 0.168 31.889 31.823 -0.170 0.000 1.555 456 V HN -0.015 nan 8.190 nan 0.000 0.594 457 P HA -0.060 nan 4.420 nan 0.000 0.229 457 P C 0.320 177.556 177.300 -0.108 0.000 1.150 457 P CA 1.058 64.094 63.100 -0.107 0.000 0.765 457 P CB 0.436 32.078 31.700 -0.097 0.000 0.783 458 D N -1.045 119.270 120.400 -0.142 0.000 2.398 458 D HA 0.198 4.847 4.640 0.015 0.000 0.210 458 D C 1.719 177.891 176.300 -0.212 0.000 1.094 458 D CA 0.076 53.988 54.000 -0.146 0.000 0.839 458 D CB 0.162 40.888 40.800 -0.122 0.000 0.963 458 D HN 0.061 nan 8.370 nan 0.000 0.506 459 A N -0.435 122.185 122.820 -0.332 0.000 2.169 459 A HA -0.006 4.323 4.320 0.015 0.000 0.212 459 A C 0.361 177.508 177.584 -0.728 0.000 1.153 459 A CA 0.463 52.134 52.037 -0.609 0.000 0.756 459 A CB -0.183 18.282 19.000 -0.892 0.000 0.813 459 A HN 0.220 nan 8.150 nan 0.000 0.471 460 Y N -0.771 119.473 120.300 -0.093 0.000 2.555 460 Y HA 0.220 4.779 4.550 0.015 0.000 0.317 460 Y C -1.523 174.304 175.900 -0.121 0.000 0.928 460 Y CA -1.671 56.382 58.100 -0.078 0.000 1.116 460 Y CB 0.612 39.046 38.460 -0.044 0.000 1.169 460 Y HN 0.199 nan 8.280 nan 0.000 0.627 461 P HA -0.265 nan 4.420 nan 0.000 0.218 461 P C 0.619 177.830 177.300 -0.149 0.000 1.152 461 P CA 1.906 64.895 63.100 -0.185 0.000 0.857 461 P CB 0.195 31.710 31.700 -0.308 0.000 0.787 462 H N -0.357 118.748 119.070 0.058 0.000 2.521 462 H HA 0.160 4.725 4.556 0.015 0.000 0.286 462 H C 1.721 177.055 175.328 0.011 0.000 1.034 462 H CA 0.592 56.672 56.048 0.053 0.000 1.278 462 H CB -0.249 29.561 29.762 0.081 0.000 1.386 462 H HN 0.168 nan 8.280 nan 0.000 0.567 463 A N 0.752 123.613 122.820 0.068 0.000 2.359 463 A HA 0.380 4.709 4.320 0.015 0.000 0.240 463 A C 2.149 179.642 177.584 -0.153 0.000 1.306 463 A CA 0.549 52.537 52.037 -0.083 0.000 0.898 463 A CB -0.562 18.415 19.000 -0.038 0.000 0.956 463 A HN 0.459 nan 8.150 nan 0.000 0.497 464 A N -0.426 122.332 122.820 -0.103 0.000 1.877 464 A HA -0.053 4.276 4.320 0.015 0.000 0.216 464 A C 2.223 179.720 177.584 -0.145 0.000 1.186 464 A CA 1.902 53.886 52.037 -0.089 0.000 0.620 464 A CB -0.779 18.198 19.000 -0.039 0.000 0.822 464 A HN 1.091 nan 8.150 nan 0.000 0.443 465 V N 0.369 120.134 119.914 -0.248 0.000 2.535 465 V HA -0.014 4.115 4.120 0.015 0.000 0.246 465 V C -0.473 175.384 176.094 -0.396 0.000 1.045 465 V CA 1.626 63.770 62.300 -0.261 0.000 1.058 465 V CB -0.743 31.011 31.823 -0.115 0.000 0.689 465 V HN 0.445 nan 8.190 nan 0.000 0.461 466 P HA -0.143 nan 4.420 nan 0.000 0.221 466 P C 1.984 179.166 177.300 -0.196 0.000 1.150 466 P CA 1.639 64.338 63.100 -0.668 0.000 0.800 466 P CB -0.089 31.049 31.700 -0.936 0.000 0.787 467 M N -0.535 118.959 119.600 -0.177 0.000 2.108 467 M HA -0.133 4.356 4.480 0.015 0.000 0.261 467 M C 2.168 178.466 176.300 -0.004 0.000 1.066 467 M CA 1.602 56.865 55.300 -0.061 0.000 1.107 467 M CB -0.875 31.687 32.600 -0.063 0.000 1.356 467 M HN -0.238 nan 8.290 nan 0.000 0.406 468 V N -0.115 119.804 119.914 0.008 0.000 2.324 468 V HA -0.299 3.830 4.120 0.015 0.000 0.250 468 V C 2.036 178.144 176.094 0.024 0.000 1.060 468 V CA 1.973 64.282 62.300 0.014 0.000 1.042 468 V CB -0.764 31.063 31.823 0.008 0.000 0.650 468 V HN 0.309 nan 8.190 nan 0.000 0.450 469 F N 0.919 120.809 119.950 -0.101 0.000 2.102 469 F HA -0.129 4.407 4.527 0.015 0.000 0.298 469 F C 2.400 178.150 175.800 -0.084 0.000 1.105 469 F CA 1.699 59.652 58.000 -0.078 0.000 1.239 469 F CB -0.699 38.263 39.000 -0.064 0.000 0.991 469 F HN 0.227 nan 8.300 nan 0.000 0.474 470 N N 0.253 119.019 118.700 0.111 0.000 2.149 470 N HA -0.142 4.607 4.740 0.015 0.000 0.188 470 N C 2.077 177.577 175.510 -0.016 0.000 1.019 470 N CA 1.416 54.482 53.050 0.027 0.000 0.857 470 N CB -0.768 37.741 38.487 0.037 0.000 0.997 470 N HN 0.150 nan 8.380 nan 0.000 0.426 471 V N 1.363 121.265 119.914 -0.021 0.000 2.270 471 V HA -0.165 3.964 4.120 0.015 0.000 0.245 471 V C 2.444 178.490 176.094 -0.080 0.000 1.043 471 V CA 1.037 63.307 62.300 -0.049 0.000 1.014 471 V CB -0.573 31.223 31.823 -0.045 0.000 0.645 471 V HN 0.108 nan 8.190 nan 0.000 0.447 472 L N 0.530 121.693 121.223 -0.100 0.000 2.013 472 L HA -0.200 4.149 4.340 0.015 0.000 0.212 472 L C 2.549 179.349 176.870 -0.117 0.000 1.073 472 L CA 2.402 57.166 54.840 -0.127 0.000 0.753 472 L CB -0.907 41.036 42.059 -0.193 0.000 0.890 472 L HN 0.307 nan 8.230 nan 0.000 0.432 473 A N -1.054 121.702 122.820 -0.107 0.000 2.015 473 A HA -0.050 4.279 4.320 0.015 0.000 0.219 473 A C 2.360 179.860 177.584 -0.140 0.000 1.163 473 A CA 1.433 53.398 52.037 -0.121 0.000 0.646 473 A CB -1.248 17.685 19.000 -0.111 0.000 0.806 473 A HN 0.473 nan 8.150 nan 0.000 0.448 474 G N 0.326 109.050 108.800 -0.126 0.000 2.433 474 G HA2 -0.173 3.796 3.960 0.015 0.000 0.216 474 G HA3 -0.173 3.796 3.960 0.015 0.000 0.216 474 G C 1.503 176.307 174.900 -0.159 0.000 1.186 474 G CA 1.108 46.120 45.100 -0.148 0.000 0.779 474 G HN 0.445 nan 8.290 nan 0.000 0.543 475 I N 0.440 120.930 120.570 -0.134 0.000 2.068 475 I HA -0.245 3.934 4.170 0.015 0.000 0.238 475 I C 2.860 178.919 176.117 -0.097 0.000 1.046 475 I CA 1.141 62.370 61.300 -0.118 0.000 1.306 475 I CB -0.573 37.369 38.000 -0.096 0.000 1.023 475 I HN 0.040 nan 8.210 nan 0.000 0.399 476 V N 0.918 120.781 119.914 -0.085 0.000 2.363 476 V HA -0.325 3.804 4.120 0.015 0.000 0.254 476 V C 2.284 178.342 176.094 -0.060 0.000 1.074 476 V CA 2.024 64.288 62.300 -0.060 0.000 1.069 476 V CB -0.711 31.074 31.823 -0.064 0.000 0.659 476 V HN 0.401 nan 8.190 nan 0.000 0.455 477 L N -1.510 119.638 121.223 -0.125 0.000 2.240 477 L HA -0.050 4.299 4.340 0.015 0.000 0.211 477 L C 2.344 179.174 176.870 -0.067 0.000 1.106 477 L CA 0.778 55.520 54.840 -0.164 0.000 0.793 477 L CB -0.363 41.485 42.059 -0.352 0.000 0.927 477 L HN 0.306 nan 8.230 nan 0.000 0.446 478 L N -0.420 120.756 121.223 -0.078 0.000 1.989 478 L HA -0.222 4.127 4.340 0.015 0.000 0.211 478 L C 2.514 179.397 176.870 0.022 0.000 1.071 478 L CA 1.257 56.072 54.840 -0.041 0.000 0.749 478 L CB -0.249 41.746 42.059 -0.107 0.000 0.890 478 L HN 0.064 nan 8.230 nan 0.000 0.431 479 V N -0.251 119.671 119.914 0.013 0.000 2.568 479 V HA -0.278 3.851 4.120 0.015 0.000 0.253 479 V C 2.455 178.616 176.094 0.111 0.000 1.072 479 V CA 1.701 64.028 62.300 0.045 0.000 1.084 479 V CB -0.741 31.097 31.823 0.025 0.000 0.676 479 V HN 0.525 nan 8.190 nan 0.000 0.469 480 A N -0.832 122.076 122.820 0.145 0.000 1.997 480 A HA 0.065 4.394 4.320 0.015 0.000 0.212 480 A C 1.976 179.771 177.584 0.351 0.000 1.178 480 A CA 0.740 52.936 52.037 0.264 0.000 0.698 480 A CB -0.300 18.899 19.000 0.333 0.000 0.842 480 A HN 0.401 nan 8.150 nan 0.000 0.458 481 L N -0.064 121.344 121.223 0.307 0.000 2.141 481 L HA -0.002 4.347 4.340 0.015 0.000 0.209 481 L C 2.110 179.124 176.870 0.239 0.000 1.094 481 L CA 1.422 56.459 54.840 0.330 0.000 0.763 481 L CB -0.409 41.794 42.059 0.239 0.000 0.908 481 L HN 0.389 nan 8.230 nan 0.000 0.437 482 L N -1.707 119.616 121.223 0.166 0.000 2.068 482 L HA -0.160 4.189 4.340 0.015 0.000 0.204 482 L C 2.327 179.295 176.870 0.164 0.000 1.076 482 L CA 0.951 55.864 54.840 0.122 0.000 0.753 482 L CB -0.513 41.585 42.059 0.066 0.000 0.910 482 L HN 0.201 nan 8.230 nan 0.000 0.439 483 L N -1.256 120.088 121.223 0.202 0.000 2.191 483 L HA -0.209 4.140 4.340 0.015 0.000 0.212 483 L C 2.470 179.489 176.870 0.248 0.000 1.103 483 L CA 1.075 56.076 54.840 0.269 0.000 0.769 483 L CB -0.521 41.686 42.059 0.248 0.000 0.908 483 L HN 0.202 nan 8.230 nan 0.000 0.438 484 F N 0.741 120.752 119.950 0.101 0.000 2.234 484 F HA -0.043 4.493 4.527 0.014 0.000 0.296 484 F C 2.160 177.928 175.800 -0.054 0.000 1.089 484 F CA 0.918 58.935 58.000 0.029 0.000 1.343 484 F CB -0.016 38.983 39.000 -0.003 0.000 1.040 484 F HN -0.154 nan 8.300 nan 0.000 0.498 485 I N -0.357 120.122 120.570 -0.151 0.000 2.076 485 I HA -0.351 3.828 4.170 0.015 0.000 0.237 485 I C 2.357 178.144 176.117 -0.550 0.000 1.059 485 I CA 2.066 63.099 61.300 -0.446 0.000 1.317 485 I CB -1.021 36.845 38.000 -0.224 0.000 1.037 485 I HN 0.257 nan 8.210 nan 0.000 0.398 486 Y N 1.996 122.122 120.300 -0.290 0.000 2.096 486 Y HA -0.313 4.247 4.550 0.016 0.000 0.278 486 Y C 2.324 178.129 175.900 -0.159 0.000 1.192 486 Y CA 1.683 59.696 58.100 -0.145 0.000 1.143 486 Y CB -1.173 37.267 38.460 -0.035 0.000 0.963 486 Y HN 0.134 nan 8.280 nan 0.000 0.505 487 G N 0.562 109.129 108.800 -0.389 0.000 2.459 487 G HA2 -0.314 3.655 3.960 0.015 0.000 0.217 487 G HA3 -0.314 3.655 3.960 0.015 0.000 0.217 487 G C 1.595 176.224 174.900 -0.450 0.000 1.183 487 G CA 1.164 46.015 45.100 -0.416 0.000 0.776 487 G HN 0.490 nan 8.290 nan 0.000 0.552 488 L N 0.138 120.948 121.223 -0.689 0.000 2.083 488 L HA 0.149 4.498 4.340 0.015 0.000 0.209 488 L C 2.605 179.310 176.870 -0.275 0.000 1.083 488 L CA 1.280 55.740 54.840 -0.633 0.000 0.752 488 L CB -0.651 40.881 42.059 -0.878 0.000 0.899 488 L HN 0.344 nan 8.230 nan 0.000 0.433 489 F N -1.052 118.756 119.950 -0.236 0.000 2.014 489 F HA -0.261 4.274 4.527 0.014 0.000 0.295 489 F C 2.863 178.558 175.800 -0.175 0.000 1.145 489 F CA 1.043 58.950 58.000 -0.155 0.000 1.178 489 F CB -1.153 37.797 39.000 -0.082 0.000 0.972 489 F HN 0.160 nan 8.300 nan 0.000 0.476 490 S N 0.499 116.171 115.700 -0.047 0.000 2.429 490 S HA -0.258 4.221 4.470 0.015 0.000 0.251 490 S C 1.937 176.464 174.600 -0.122 0.000 1.104 490 S CA 1.948 60.068 58.200 -0.132 0.000 1.130 490 S CB -0.859 62.158 63.200 -0.306 0.000 1.000 490 S HN 0.139 nan 8.310 nan 0.000 0.449 491 V N 1.896 121.711 119.914 -0.165 0.000 2.229 491 V HA -0.070 4.059 4.120 0.015 0.000 0.243 491 V C 1.996 178.015 176.094 -0.124 0.000 1.042 491 V CA 1.918 64.111 62.300 -0.179 0.000 1.000 491 V CB -0.800 30.843 31.823 -0.301 0.000 0.637 491 V HN 0.747 nan 8.190 nan 0.000 0.446 492 L N 0.538 121.699 121.223 -0.104 0.000 2.672 492 L HA 0.317 4.666 4.340 0.015 0.000 0.236 492 L C 0.556 177.412 176.870 -0.024 0.000 1.186 492 L CA 1.043 55.848 54.840 -0.058 0.000 0.977 492 L CB -0.440 41.587 42.059 -0.054 0.000 1.203 492 L HN 0.334 nan 8.230 nan 0.000 0.448 493 L N -0.460 120.750 121.223 -0.021 0.000 2.960 493 L HA 0.603 4.952 4.340 0.015 0.000 0.274 493 L C -0.507 176.348 176.870 -0.026 0.000 1.327 493 L CA -0.054 54.771 54.840 -0.024 0.000 0.860 493 L CB 0.044 42.084 42.059 -0.032 0.000 1.239 493 L HN 0.293 nan 8.230 nan 0.000 0.551 494 S N -0.540 115.141 115.700 -0.031 0.000 2.621 494 S HA 0.643 5.122 4.470 0.015 0.000 0.302 494 S C 0.821 175.408 174.600 -0.021 0.000 1.093 494 S CA -0.977 57.208 58.200 -0.026 0.000 1.017 494 S CB 2.576 65.757 63.200 -0.032 0.000 1.077 494 S HN 0.386 nan 8.310 nan 0.000 0.517 495 R N 1.201 121.691 120.500 -0.015 0.000 2.127 495 R HA 0.010 4.359 4.340 0.015 0.000 0.219 495 R C 0.747 177.042 176.300 -0.010 0.000 1.133 495 R CA 1.256 57.348 56.100 -0.013 0.000 0.890 495 R CB -1.330 28.964 30.300 -0.010 0.000 0.804 495 R HN 0.855 nan 8.270 nan 0.000 0.443 496 E N -0.588 119.608 120.200 -0.007 0.000 5.016 496 E HA -0.275 4.084 4.350 0.015 0.000 0.207 496 E C 0.463 177.063 176.600 0.000 0.000 0.988 496 E CA 1.736 58.132 56.400 -0.006 0.000 1.638 496 E CB -1.407 28.285 29.700 -0.013 0.000 1.784 496 E HN 0.609 nan 8.360 nan 0.000 0.368 497 R N 2.626 123.129 120.500 0.005 0.000 4.158 497 R HA -0.053 4.296 4.340 0.015 0.000 0.269 497 R C -0.435 175.878 176.300 0.021 0.000 0.622 497 R CA 0.878 56.989 56.100 0.019 0.000 0.964 497 R CB -0.445 29.876 30.300 0.035 0.000 0.927 497 R HN -0.014 nan 8.270 nan 0.000 0.329 498 K N 4.978 125.388 120.400 0.016 0.000 2.267 498 K HA 0.153 4.482 4.320 0.015 0.000 0.282 498 K C -1.923 174.691 176.600 0.024 0.000 1.078 498 K CA -2.008 54.289 56.287 0.017 0.000 0.903 498 K CB 1.612 34.119 32.500 0.011 0.000 1.111 498 K HN 0.373 nan 8.250 nan 0.000 0.475 499 P HA -0.116 nan 4.420 nan 0.000 0.249 499 P C 0.678 177.999 177.300 0.034 0.000 1.241 499 P CA 0.452 63.576 63.100 0.040 0.000 0.781 499 P CB 0.262 31.994 31.700 0.053 0.000 1.088 500 E N 1.340 121.555 120.200 0.025 0.000 2.033 500 E HA -0.109 4.250 4.350 0.015 0.000 0.189 500 E C 1.477 178.088 176.600 0.019 0.000 0.979 500 E CA 1.229 57.643 56.400 0.023 0.000 0.802 500 E CB -1.298 28.413 29.700 0.019 0.000 0.763 500 E HN 0.223 nan 8.360 nan 0.000 0.449 501 L N 0.220 121.452 121.223 0.015 0.000 2.622 501 L HA 0.274 4.623 4.340 0.015 0.000 0.233 501 L C 2.287 179.161 176.870 0.008 0.000 1.156 501 L CA 1.176 56.024 54.840 0.012 0.000 0.866 501 L CB -0.714 41.354 42.059 0.015 0.000 0.980 501 L HN 0.116 nan 8.230 nan 0.000 0.448 502 A N -0.318 122.506 122.820 0.007 0.000 2.208 502 A HA 0.066 4.395 4.320 0.015 0.000 0.209 502 A C 1.937 179.523 177.584 0.003 0.000 1.161 502 A CA 0.710 52.744 52.037 -0.005 0.000 0.782 502 A CB -0.182 18.817 19.000 -0.001 0.000 0.816 502 A HN 0.511 nan 8.150 nan 0.000 0.477 503 E N -0.990 119.220 120.200 0.016 0.000 2.641 503 E HA 0.335 4.694 4.350 0.015 0.000 0.224 503 E C 0.331 176.926 176.600 -0.008 0.000 0.951 503 E CA 0.098 56.511 56.400 0.022 0.000 1.102 503 E CB 0.819 30.569 29.700 0.083 0.000 1.091 503 E HN 0.452 nan 8.360 nan 0.000 0.507 504 A N 3.444 126.258 122.820 -0.010 0.000 2.537 504 A HA 0.144 4.473 4.320 0.015 0.000 0.260 504 A C -2.247 175.302 177.584 -0.058 0.000 1.082 504 A CA -0.794 51.230 52.037 -0.023 0.000 0.765 504 A CB -0.422 18.574 19.000 -0.007 0.000 1.019 504 A HN -0.061 nan 8.150 nan 0.000 0.507 505 P HA 0.175 nan 4.420 nan 0.000 0.275 505 P C -0.029 177.119 177.300 -0.252 0.000 1.228 505 P CA -0.469 62.528 63.100 -0.172 0.000 0.786 505 P CB 0.486 32.091 31.700 -0.160 0.000 0.927 506 L N 4.089 125.087 121.223 -0.375 0.000 2.737 506 L HA -0.058 4.291 4.340 0.015 0.000 0.279 506 L C -1.291 175.213 176.870 -0.610 0.000 1.200 506 L CA -0.696 53.880 54.840 -0.441 0.000 0.952 506 L CB -0.225 41.450 42.059 -0.640 0.000 1.240 506 L HN 0.273 nan 8.230 nan 0.000 0.486 507 P HA 0.022 nan 4.420 nan 0.000 0.226 507 P C 0.238 177.417 177.300 -0.203 0.000 1.783 507 P CA 0.077 63.024 63.100 -0.254 0.000 0.980 507 P CB -0.314 31.269 31.700 -0.196 0.000 1.967 508 F N 1.163 121.018 119.950 -0.159 0.000 2.373 508 F HA 0.225 4.761 4.527 0.014 0.000 0.285 508 F C 1.445 177.174 175.800 -0.119 0.000 1.256 508 F CA -0.701 57.211 58.000 -0.147 0.000 1.297 508 F CB 0.195 39.129 39.000 -0.110 0.000 1.400 508 F HN 0.156 nan 8.300 nan 0.000 0.505 509 A N -0.295 122.611 122.820 0.143 0.000 2.475 509 A HA 0.466 4.795 4.320 0.015 0.000 0.301 509 A C -0.961 176.641 177.584 0.029 0.000 1.059 509 A CA -0.842 51.222 52.037 0.045 0.000 0.710 509 A CB 1.159 20.165 19.000 0.010 0.000 1.288 509 A HN 0.669 nan 8.150 nan 0.000 0.408 510 E N -0.271 119.945 120.200 0.027 0.000 2.397 510 E HA 0.430 4.789 4.350 0.015 0.000 0.254 510 E C -0.567 176.041 176.600 0.013 0.000 1.231 510 E CA -0.396 56.016 56.400 0.020 0.000 0.954 510 E CB 0.734 30.451 29.700 0.028 0.000 1.024 510 E HN 0.291 nan 8.360 nan 0.000 0.481 511 V N 1.803 121.720 119.914 0.005 0.000 3.028 511 V HA 0.041 4.170 4.120 0.015 0.000 0.418 511 V C -0.451 175.630 176.094 -0.022 0.000 1.433 511 V CA -0.457 61.834 62.300 -0.014 0.000 1.543 511 V CB -0.154 31.645 31.823 -0.040 0.000 1.329 511 V HN 0.618 nan 8.190 nan 0.000 0.646 512 I N 0.778 121.339 120.570 -0.014 0.000 2.726 512 I HA -0.215 3.964 4.170 0.015 0.000 0.127 512 I C 0.835 176.921 176.117 -0.052 0.000 0.882 512 I CA 1.075 62.348 61.300 -0.045 0.000 2.786 512 I CB -1.161 36.773 38.000 -0.110 0.000 0.548 512 I HN 0.413 nan 8.210 nan 0.000 0.352 513 S N 3.582 119.260 115.700 -0.037 0.000 2.528 513 S HA 0.540 5.019 4.470 0.015 0.000 0.277 513 S C 0.724 175.301 174.600 -0.039 0.000 1.297 513 S CA -0.052 58.126 58.200 -0.037 0.000 1.052 513 S CB 1.403 64.587 63.200 -0.027 0.000 0.917 513 S HN 0.788 nan 8.310 nan 0.000 0.492 514 G N 2.975 111.750 108.800 -0.041 0.000 2.597 514 G HA2 0.555 4.524 3.960 0.015 0.000 0.317 514 G HA3 0.555 4.524 3.960 0.015 0.000 0.317 514 G C -2.037 172.845 174.900 -0.030 0.000 1.230 514 G CA -1.260 43.817 45.100 -0.038 0.000 0.996 514 G HN 0.483 nan 8.290 nan 0.000 0.490 515 P HA 0.032 nan 4.420 nan 0.000 0.224 515 P C 1.128 178.417 177.300 -0.020 0.000 1.157 515 P CA 0.718 63.806 63.100 -0.020 0.000 0.799 515 P CB 0.385 32.074 31.700 -0.018 0.000 0.809 516 E N 0.532 120.719 120.200 -0.023 0.000 2.268 516 E HA -0.164 4.195 4.350 0.015 0.000 0.195 516 E C 1.205 177.790 176.600 -0.024 0.000 0.995 516 E CA 0.795 57.182 56.400 -0.022 0.000 0.836 516 E CB -0.825 28.861 29.700 -0.023 0.000 0.763 516 E HN 0.268 nan 8.360 nan 0.000 0.491 517 D N 1.021 121.403 120.400 -0.029 0.000 2.133 517 D HA -0.178 4.471 4.640 0.015 0.000 0.192 517 D C 1.959 178.240 176.300 -0.032 0.000 1.001 517 D CA 1.227 55.205 54.000 -0.037 0.000 0.844 517 D CB 0.004 40.781 40.800 -0.038 0.000 0.944 517 D HN 0.004 nan 8.370 nan 0.000 0.447 518 R N 0.017 120.505 120.500 -0.019 0.000 2.062 518 R HA 0.044 4.393 4.340 0.015 0.000 0.231 518 R C 2.382 178.680 176.300 -0.004 0.000 1.136 518 R CA 0.858 56.952 56.100 -0.010 0.000 0.948 518 R CB -0.737 29.561 30.300 -0.003 0.000 0.845 518 R HN 0.123 nan 8.270 nan 0.000 0.430 519 R N 0.369 120.867 120.500 -0.002 0.000 2.083 519 R HA -0.113 4.236 4.340 0.015 0.000 0.237 519 R C 2.196 178.503 176.300 0.011 0.000 1.137 519 R CA 1.272 57.375 56.100 0.006 0.000 0.951 519 R CB -0.547 29.755 30.300 0.003 0.000 0.851 519 R HN 0.020 nan 8.270 nan 0.000 0.434 520 L N -0.633 120.588 121.223 -0.003 0.000 1.961 520 L HA -0.158 4.191 4.340 0.015 0.000 0.210 520 L C 2.304 179.160 176.870 -0.025 0.000 1.072 520 L CA 1.532 56.365 54.840 -0.011 0.000 0.749 520 L CB -1.032 41.009 42.059 -0.031 0.000 0.889 520 L HN 0.023 nan 8.230 nan 0.000 0.432 521 V N -0.706 119.176 119.914 -0.053 0.000 2.252 521 V HA -0.321 3.808 4.120 0.015 0.000 0.249 521 V C 2.503 178.568 176.094 -0.047 0.000 1.056 521 V CA 1.556 63.798 62.300 -0.096 0.000 1.022 521 V CB -0.597 31.164 31.823 -0.104 0.000 0.641 521 V HN 0.310 nan 8.190 nan 0.000 0.445 522 L N 0.478 121.701 121.223 -0.000 0.000 1.997 522 L HA -0.228 4.121 4.340 0.015 0.000 0.216 522 L C 2.595 179.521 176.870 0.093 0.000 1.074 522 L CA 2.465 57.331 54.840 0.043 0.000 0.763 522 L CB -1.265 40.816 42.059 0.037 0.000 0.890 522 L HN 0.312 nan 8.230 nan 0.000 0.434 523 A N -1.073 121.808 122.820 0.102 0.000 1.927 523 A HA -0.286 4.043 4.320 0.015 0.000 0.220 523 A C 2.140 179.959 177.584 0.391 0.000 1.185 523 A CA 2.462 54.617 52.037 0.198 0.000 0.639 523 A CB -0.616 18.491 19.000 0.179 0.000 0.820 523 A HN 0.534 nan 8.150 nan 0.000 0.451 524 M N -1.044 118.705 119.600 0.249 0.000 2.561 524 M HA 0.058 4.547 4.480 0.015 0.000 0.238 524 M C 0.830 177.350 176.300 0.366 0.000 1.131 524 M CA 0.513 55.969 55.300 0.260 0.000 1.046 524 M CB 0.074 32.628 32.600 -0.076 0.000 1.532 524 M HN 0.173 nan 8.290 nan 0.000 0.497 525 D N 0.820 121.407 120.400 0.311 0.000 2.349 525 D HA 0.057 4.706 4.640 0.015 0.000 0.214 525 D C 0.639 177.194 176.300 0.424 0.000 1.063 525 D CA 0.282 54.479 54.000 0.328 0.000 0.847 525 D CB 0.386 41.301 40.800 0.193 0.000 0.933 525 D HN 0.178 nan 8.370 nan 0.000 0.513 526 R N 0.936 121.703 120.500 0.445 0.000 4.860 526 R HA 0.142 4.491 4.340 0.015 0.000 0.191 526 R C 1.464 178.065 176.300 0.503 0.000 1.936 526 R CA -0.149 56.171 56.100 0.367 0.000 1.609 526 R CB -0.198 30.189 30.300 0.146 0.000 1.392 526 R HN 0.291 nan 8.270 nan 0.000 0.844 527 I N 0.562 121.453 120.570 0.534 0.000 2.103 527 I HA -0.373 3.806 4.170 0.015 0.000 0.241 527 I C 2.503 178.874 176.117 0.423 0.000 1.036 527 I CA 1.985 63.564 61.300 0.465 0.000 1.300 527 I CB -0.516 37.631 38.000 0.245 0.000 1.010 527 I HN 0.526 nan 8.210 nan 0.000 0.406 528 G N 0.070 109.097 108.800 0.379 0.000 2.469 528 G HA2 -0.345 3.624 3.960 0.015 0.000 0.220 528 G HA3 -0.345 3.624 3.960 0.015 0.000 0.220 528 G C 1.545 176.635 174.900 0.318 0.000 1.136 528 G CA 1.086 46.387 45.100 0.334 0.000 0.759 528 G HN 0.470 nan 8.290 nan 0.000 0.562 529 F N -0.081 119.923 119.950 0.090 0.000 2.128 529 F HA 0.093 4.629 4.527 0.014 0.000 0.295 529 F C 2.371 178.126 175.800 -0.076 0.000 1.100 529 F CA 0.963 58.916 58.000 -0.079 0.000 1.260 529 F CB -0.269 38.558 39.000 -0.288 0.000 1.009 529 F HN 0.187 nan 8.300 nan 0.000 0.476 530 W N -0.316 120.984 121.300 -0.000 0.000 2.358 530 W HA -0.162 4.506 4.660 0.014 0.000 0.303 530 W C 2.454 178.939 176.519 -0.057 0.000 1.208 530 W CA 1.352 58.619 57.345 -0.131 0.000 1.274 530 W CB -1.075 28.463 29.460 0.130 0.000 1.138 530 W HN 0.115 nan 8.180 nan 0.000 0.515 531 F N 1.132 121.171 119.950 0.149 0.000 2.192 531 F HA -0.300 4.237 4.527 0.017 0.000 0.301 531 F C 2.251 178.065 175.800 0.023 0.000 1.079 531 F CA 1.802 59.861 58.000 0.098 0.000 1.303 531 F CB -0.250 38.822 39.000 0.120 0.000 1.024 531 F HN -0.115 nan 8.300 nan 0.000 0.494 532 A N -0.847 121.905 122.820 -0.113 0.000 2.016 532 A HA -0.035 4.294 4.320 0.015 0.000 0.217 532 A C 2.167 179.586 177.584 -0.276 0.000 1.162 532 A CA 1.407 53.313 52.037 -0.218 0.000 0.662 532 A CB -0.983 17.946 19.000 -0.119 0.000 0.812 532 A HN 0.250 nan 8.150 nan 0.000 0.450 533 V N -0.242 119.466 119.914 -0.344 0.000 2.407 533 V HA -0.162 3.967 4.120 0.015 0.000 0.245 533 V C 3.036 179.043 176.094 -0.145 0.000 1.041 533 V CA 1.606 63.755 62.300 -0.251 0.000 1.040 533 V CB -1.086 30.580 31.823 -0.261 0.000 0.671 533 V HN 0.574 nan 8.190 nan 0.000 0.455 534 A N 0.231 122.981 122.820 -0.116 0.000 1.917 534 A HA -0.057 4.272 4.320 0.015 0.000 0.219 534 A C 1.752 179.229 177.584 -0.179 0.000 1.182 534 A CA 1.831 53.806 52.037 -0.102 0.000 0.633 534 A CB -0.532 18.457 19.000 -0.018 0.000 0.819 534 A HN 0.675 nan 8.150 nan 0.000 0.448 535 A N -1.569 121.075 122.820 -0.294 0.000 3.095 535 A HA 0.656 4.985 4.320 0.015 0.000 0.301 535 A C 0.411 177.900 177.584 -0.157 0.000 1.432 535 A CA -0.172 51.728 52.037 -0.229 0.000 1.140 535 A CB -0.256 18.556 19.000 -0.314 0.000 1.174 535 A HN 0.393 nan 8.150 nan 0.000 0.546 536 I N -0.931 119.565 120.570 -0.124 0.000 5.221 536 I HA 0.056 4.235 4.170 0.015 0.000 0.332 536 I C 1.599 177.669 176.117 -0.078 0.000 1.170 536 I CA 0.258 61.510 61.300 -0.080 0.000 1.501 536 I CB 0.075 38.032 38.000 -0.072 0.000 1.706 536 I HN 0.466 nan 8.210 nan 0.000 0.564 537 L N 0.212 121.374 121.223 -0.101 0.000 2.079 537 L HA -0.195 4.154 4.340 0.015 0.000 0.210 537 L C 2.378 179.126 176.870 -0.204 0.000 1.081 537 L CA 1.301 56.064 54.840 -0.128 0.000 0.752 537 L CB -0.493 41.492 42.059 -0.124 0.000 0.896 537 L HN 0.121 nan 8.230 nan 0.000 0.433 538 V N -0.962 118.827 119.914 -0.208 0.000 2.358 538 V HA -0.224 3.905 4.120 0.015 0.000 0.246 538 V C 2.354 178.319 176.094 -0.215 0.000 1.047 538 V CA 1.393 63.520 62.300 -0.288 0.000 1.035 538 V CB -0.184 31.499 31.823 -0.233 0.000 0.658 538 V HN 0.198 nan 8.190 nan 0.000 0.452 539 V N -0.520 119.336 119.914 -0.097 0.000 2.379 539 V HA -0.194 3.935 4.120 0.015 0.000 0.245 539 V C 2.296 178.373 176.094 -0.029 0.000 1.044 539 V CA 1.661 63.947 62.300 -0.024 0.000 1.036 539 V CB -0.441 31.395 31.823 0.021 0.000 0.664 539 V HN 0.418 nan 8.190 nan 0.000 0.453 540 L N -0.146 121.059 121.223 -0.029 0.000 2.131 540 L HA -0.164 4.185 4.340 0.015 0.000 0.210 540 L C 2.517 179.421 176.870 0.056 0.000 1.092 540 L CA 1.597 56.469 54.840 0.053 0.000 0.759 540 L CB -0.451 41.647 42.059 0.065 0.000 0.903 540 L HN 0.386 nan 8.230 nan 0.000 0.435 541 A N -1.899 120.807 122.820 -0.191 0.000 1.943 541 A HA -0.115 4.214 4.320 0.015 0.000 0.213 541 A C 1.796 178.923 177.584 -0.762 0.000 1.181 541 A CA 0.783 52.552 52.037 -0.447 0.000 0.653 541 A CB -0.369 18.212 19.000 -0.699 0.000 0.833 541 A HN 0.330 nan 8.150 nan 0.000 0.451 542 Y N -0.025 119.981 120.300 -0.491 0.000 2.503 542 Y HA 0.183 4.742 4.550 0.015 0.000 0.278 542 Y C 2.537 178.292 175.900 -0.241 0.000 1.111 542 Y CA -0.062 57.783 58.100 -0.424 0.000 1.270 542 Y CB -0.726 37.429 38.460 -0.509 0.000 1.063 542 Y HN 0.289 nan 8.280 nan 0.000 0.548 543 G N 1.045 109.825 108.800 -0.033 0.000 2.464 543 G HA2 -0.180 3.789 3.960 0.015 0.000 0.214 543 G HA3 -0.180 3.789 3.960 0.015 0.000 0.214 543 G C -0.517 174.403 174.900 0.034 0.000 1.218 543 G CA 0.677 45.807 45.100 0.050 0.000 0.794 543 G HN 0.220 nan 8.290 nan 0.000 0.542 544 P HA -0.020 nan 4.420 nan 0.000 0.222 544 P C 1.536 178.853 177.300 0.028 0.000 1.142 544 P CA 1.421 64.590 63.100 0.115 0.000 0.788 544 P CB 0.012 31.962 31.700 0.416 0.000 0.767 545 T N -1.108 113.364 114.554 -0.138 0.000 2.990 545 T HA 0.115 4.474 4.350 0.015 0.000 0.237 545 T C 1.604 176.302 174.700 -0.003 0.000 1.009 545 T CA 0.121 62.167 62.100 -0.090 0.000 1.195 545 T CB -0.900 67.888 68.868 -0.133 0.000 0.885 545 T HN -0.005 nan 8.240 nan 0.000 0.424 546 L N 1.506 122.763 121.223 0.056 0.000 2.574 546 L HA -0.108 4.241 4.340 0.015 0.000 0.230 546 L C 1.800 178.783 176.870 0.188 0.000 1.160 546 L CA 0.715 55.607 54.840 0.087 0.000 0.807 546 L CB -0.239 41.942 42.059 0.203 0.000 0.931 546 L HN 0.162 nan 8.230 nan 0.000 0.450 547 V N -2.156 117.855 119.914 0.163 0.000 3.484 547 V HA -0.004 4.125 4.120 0.015 0.000 0.252 547 V C 1.586 177.780 176.094 0.166 0.000 1.282 547 V CA 0.291 62.715 62.300 0.207 0.000 1.104 547 V CB 0.509 32.435 31.823 0.172 0.000 0.868 547 V HN 0.335 nan 8.190 nan 0.000 0.457 548 Q N -0.229 119.631 119.800 0.099 0.000 2.282 548 Q HA 0.253 4.602 4.340 0.015 0.000 0.205 548 Q C 1.148 177.138 176.000 -0.017 0.000 0.915 548 Q CA 0.490 56.321 55.803 0.047 0.000 0.949 548 Q CB 0.861 29.597 28.738 -0.004 0.000 1.035 548 Q HN 0.470 nan 8.270 nan 0.000 0.484 549 L N -2.150 119.102 121.223 0.049 0.000 2.664 549 L HA 0.157 4.506 4.340 0.015 0.000 0.198 549 L C 1.412 178.323 176.870 0.067 0.000 1.057 549 L CA 0.333 55.163 54.840 -0.018 0.000 0.871 549 L CB -0.140 41.836 42.059 -0.139 0.000 1.364 549 L HN 0.152 nan 8.230 nan 0.000 0.483 550 F N 0.832 120.841 119.950 0.097 0.000 2.641 550 F HA -0.000 4.536 4.527 0.015 0.000 0.298 550 F C 1.435 177.305 175.800 0.117 0.000 1.146 550 F CA 0.551 58.619 58.000 0.113 0.000 1.464 550 F CB 0.294 39.361 39.000 0.112 0.000 1.101 550 F HN 0.131 nan 8.300 nan 0.000 0.585 551 G N -1.675 107.315 108.800 0.316 0.000 4.975 551 G HA2 0.303 4.272 3.960 0.015 0.000 0.312 551 G HA3 0.303 4.272 3.960 0.015 0.000 0.312 551 G C -0.694 174.385 174.900 0.299 0.000 1.425 551 G CA -0.026 45.223 45.100 0.249 0.000 1.076 551 G HN 0.458 nan 8.290 nan 0.000 0.586 552 H N -0.602 118.516 119.070 0.080 0.000 3.704 552 H HA 0.053 4.618 4.556 0.015 0.000 0.281 552 H C 0.498 175.843 175.328 0.029 0.000 1.087 552 H CA -0.620 55.454 56.048 0.043 0.000 1.125 552 H CB -0.509 29.266 29.762 0.023 0.000 3.086 552 H HN 0.237 nan 8.280 nan 0.000 0.828 553 L N 1.399 122.697 121.223 0.127 0.000 2.584 553 L HA 0.012 4.361 4.340 0.015 0.000 0.272 553 L C 0.575 177.477 176.870 0.054 0.000 1.195 553 L CA 0.567 55.456 54.840 0.081 0.000 0.920 553 L CB 0.170 42.313 42.059 0.140 0.000 1.173 553 L HN 0.305 nan 8.230 nan 0.000 0.489 554 N N 4.943 123.656 118.700 0.021 0.000 2.818 554 N HA 0.262 5.011 4.740 0.015 0.000 0.301 554 N C -2.363 173.156 175.510 0.015 0.000 1.821 554 N CA -1.619 51.445 53.050 0.024 0.000 0.930 554 N CB 0.559 39.062 38.487 0.027 0.000 1.263 554 N HN 0.274 nan 8.380 nan 0.000 0.487 555 P HA 0.073 nan 4.420 nan 0.000 0.270 555 P C -0.585 176.750 177.300 0.057 0.000 1.227 555 P CA -0.140 62.966 63.100 0.010 0.000 0.788 555 P CB 0.928 32.657 31.700 0.049 0.000 0.926 556 V N -3.564 116.403 119.914 0.088 0.000 2.932 556 V HA 0.492 4.621 4.120 0.015 0.000 0.307 556 V C -2.886 173.380 176.094 0.288 0.000 1.147 556 V CA -2.786 59.617 62.300 0.171 0.000 0.951 556 V CB 1.549 33.469 31.823 0.162 0.000 1.031 556 V HN 0.359 nan 8.190 nan 0.000 0.426 557 P HA 0.184 nan 4.420 nan 0.000 0.264 557 P C 0.514 178.051 177.300 0.395 0.000 1.193 557 P CA 0.818 64.068 63.100 0.251 0.000 0.763 557 P CB 0.546 32.287 31.700 0.068 0.000 0.810 558 G N 2.495 111.543 108.800 0.413 0.000 2.441 558 G HA2 0.259 4.228 3.960 0.015 0.000 0.243 558 G HA3 0.259 4.228 3.960 0.015 0.000 0.243 558 G C -1.280 173.705 174.900 0.142 0.000 1.281 558 G CA -0.413 44.947 45.100 0.434 0.000 0.854 558 G HN 0.414 nan 8.290 nan 0.000 0.560 559 W N -0.261 121.126 121.300 0.144 0.000 2.761 559 W HA 0.591 5.259 4.660 0.015 0.000 0.340 559 W C 0.362 176.928 176.519 0.078 0.000 1.072 559 W CA -1.007 56.386 57.345 0.080 0.000 1.215 559 W CB 1.841 31.361 29.460 0.101 0.000 1.420 559 W HN 0.486 nan 8.180 nan 0.000 0.519 560 R N 2.995 123.556 120.500 0.103 0.000 2.312 560 R HA 0.498 4.847 4.340 0.015 0.000 0.310 560 R C -1.141 175.076 176.300 -0.139 0.000 1.064 560 R CA -0.429 55.514 56.100 -0.262 0.000 0.983 560 R CB 0.073 29.908 30.300 -0.774 0.000 1.139 560 R HN 0.629 nan 8.270 nan 0.000 0.536 561 L N 5.621 126.997 121.223 0.255 0.000 3.029 561 L HA 0.437 4.786 4.340 0.015 0.000 0.231 561 L C -0.905 176.141 176.870 0.292 0.000 1.327 561 L CA -0.293 54.678 54.840 0.219 0.000 1.166 561 L CB -0.502 41.684 42.059 0.213 0.000 1.532 561 L HN 0.634 nan 8.230 nan 0.000 0.473 562 W N 0.000 121.326 121.300 0.043 0.000 2.388 562 W HA 0.000 4.669 4.660 0.015 0.000 0.303 562 W CA 0.000 57.364 57.345 0.031 0.000 1.226 562 W CB 0.000 29.470 29.460 0.016 0.000 1.126 562 W HN 0.000 nan 8.180 nan 0.000 0.535