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 3eh3_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 0.000 174.606 174.600 0.009 0.000 1.055 6 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 6 S CB 0.000 63.182 63.200 -0.031 0.000 0.593 7 E N -0.069 120.146 120.200 0.025 0.000 2.368 7 E HA 0.759 5.102 4.350 -0.011 0.000 0.257 7 E C -0.286 176.334 176.600 0.032 0.000 1.022 7 E CA -0.437 55.992 56.400 0.049 0.000 0.886 7 E CB 0.843 30.605 29.700 0.105 0.000 1.740 7 E HN 0.112 nan 8.360 nan 0.000 0.456 8 I N -2.426 118.162 120.570 0.029 0.000 2.926 8 I HA 0.327 4.490 4.170 -0.011 0.000 0.288 8 I C 0.295 176.404 176.117 -0.013 0.000 0.901 8 I CA -0.197 61.104 61.300 0.001 0.000 2.327 8 I CB -0.823 37.169 38.000 -0.014 0.000 1.697 8 I HN 0.301 nan 8.210 nan 0.000 0.450 9 S N 2.875 118.545 115.700 -0.050 0.000 3.959 9 S HA -0.128 4.335 4.470 -0.011 0.000 0.473 9 S C 1.187 175.775 174.600 -0.019 0.000 1.041 9 S CA 0.418 58.568 58.200 -0.083 0.000 1.364 9 S CB -0.233 62.830 63.200 -0.229 0.000 0.851 9 S HN 0.425 nan 8.310 nan 0.000 0.543 10 R N 3.417 123.921 120.500 0.006 0.000 2.083 10 R HA -0.081 4.252 4.340 -0.011 0.000 0.237 10 R C 2.308 178.659 176.300 0.084 0.000 1.137 10 R CA 1.705 57.828 56.100 0.038 0.000 0.951 10 R CB -0.904 29.412 30.300 0.027 0.000 0.851 10 R HN 0.681 nan 8.270 nan 0.000 0.434 11 V N -0.002 119.968 119.914 0.092 0.000 2.354 11 V HA -0.408 3.705 4.120 -0.011 0.000 0.250 11 V C 1.946 178.245 176.094 0.341 0.000 1.088 11 V CA 2.379 64.781 62.300 0.171 0.000 1.104 11 V CB -0.896 30.928 31.823 0.001 0.000 0.847 11 V HN 0.331 nan 8.190 nan 0.000 0.468 12 Y N 1.029 121.393 120.300 0.107 0.000 2.448 12 Y HA 0.047 4.590 4.550 -0.011 0.000 0.289 12 Y C 2.635 178.578 175.900 0.072 0.000 1.114 12 Y CA 0.729 58.886 58.100 0.095 0.000 1.235 12 Y CB -0.638 37.851 38.460 0.047 0.000 1.045 12 Y HN 0.671 nan 8.280 nan 0.000 0.554 13 E N -0.481 119.838 120.200 0.199 0.000 2.152 13 E HA -0.069 4.274 4.350 -0.011 0.000 0.192 13 E C 1.934 178.565 176.600 0.052 0.000 0.983 13 E CA 1.191 57.652 56.400 0.101 0.000 0.818 13 E CB -0.193 29.543 29.700 0.061 0.000 0.758 13 E HN 0.204 nan 8.360 nan 0.000 0.467 14 A N 0.234 123.074 122.820 0.034 0.000 2.115 14 A HA 0.150 4.463 4.320 -0.011 0.000 0.211 14 A C -0.053 177.349 177.584 -0.305 0.000 1.169 14 A CA 0.000 51.956 52.037 -0.135 0.000 0.787 14 A CB -0.008 18.877 19.000 -0.191 0.000 0.858 14 A HN 0.326 nan 8.150 nan 0.000 0.474 15 Y N -1.110 119.265 120.300 0.125 0.000 2.373 15 Y HA 0.377 4.920 4.550 -0.011 0.000 0.327 15 Y C -2.201 173.756 175.900 0.095 0.000 1.036 15 Y CA -2.170 56.002 58.100 0.120 0.000 1.265 15 Y CB 1.550 40.100 38.460 0.150 0.000 1.108 15 Y HN 0.051 nan 8.280 nan 0.000 0.471 16 P HA -0.097 nan 4.420 nan 0.000 0.240 16 P C 0.859 178.049 177.300 -0.183 0.000 1.190 16 P CA 0.968 64.038 63.100 -0.049 0.000 0.781 16 P CB 0.553 32.274 31.700 0.036 0.000 0.931 17 E N 1.143 121.303 120.200 -0.067 0.000 2.435 17 E HA -0.072 4.271 4.350 -0.011 0.000 0.195 17 E C 1.256 177.720 176.600 -0.226 0.000 1.029 17 E CA 0.447 56.758 56.400 -0.148 0.000 0.865 17 E CB -0.470 29.238 29.700 0.013 0.000 0.833 17 E HN 0.171 nan 8.360 nan 0.000 0.510 18 K N 0.801 121.110 120.400 -0.153 0.000 2.574 18 K HA -0.061 4.252 4.320 -0.011 0.000 0.193 18 K C 1.828 178.189 176.600 -0.399 0.000 1.035 18 K CA 0.734 56.880 56.287 -0.235 0.000 0.982 18 K CB 0.142 32.707 32.500 0.108 0.000 0.795 18 K HN 0.115 nan 8.250 nan 0.000 0.491 19 K N -0.080 119.868 120.400 -0.754 0.000 2.344 19 K HA 0.121 4.434 4.320 -0.011 0.000 0.200 19 K C 1.795 177.953 176.600 -0.738 0.000 1.132 19 K CA 0.455 56.250 56.287 -0.821 0.000 0.935 19 K CB 0.173 31.940 32.500 -1.220 0.000 1.089 19 K HN -0.024 nan 8.250 nan 0.000 0.496 20 A N 0.721 123.031 122.820 -0.851 0.000 2.234 20 A HA -0.096 4.217 4.320 -0.011 0.000 0.216 20 A C 1.685 178.942 177.584 -0.545 0.000 1.167 20 A CA 1.864 53.193 52.037 -1.180 0.000 0.698 20 A CB -0.566 17.766 19.000 -1.113 0.000 0.779 20 A HN 0.393 nan 8.150 nan 0.000 0.475 21 T N -1.175 113.129 114.554 -0.418 0.000 3.046 21 T HA 0.067 4.410 4.350 -0.011 0.000 0.242 21 T C 1.702 176.286 174.700 -0.193 0.000 1.018 21 T CA 0.645 62.584 62.100 -0.268 0.000 1.131 21 T CB -0.203 68.356 68.868 -0.515 0.000 0.904 21 T HN 0.277 nan 8.240 nan 0.000 0.459 22 L N 0.834 121.921 121.223 -0.226 0.000 2.013 22 L HA -0.115 4.219 4.340 -0.011 0.000 0.212 22 L C 1.935 178.887 176.870 0.137 0.000 1.073 22 L CA 1.875 56.695 54.840 -0.033 0.000 0.753 22 L CB -0.705 41.391 42.059 0.062 0.000 0.890 22 L HN 0.436 nan 8.230 nan 0.000 0.432 23 Y N -2.108 118.092 120.300 -0.166 0.000 2.114 23 Y HA -0.266 4.277 4.550 -0.011 0.000 0.284 23 Y C 2.460 178.569 175.900 0.349 0.000 1.119 23 Y CA 1.030 59.057 58.100 -0.122 0.000 1.108 23 Y CB -0.549 37.430 38.460 -0.803 0.000 0.995 23 Y HN 0.063 nan 8.280 nan 0.000 0.491 24 F N 0.033 120.279 119.950 0.492 0.000 2.079 24 F HA -0.413 4.107 4.527 -0.011 0.000 0.296 24 F C 2.485 178.399 175.800 0.189 0.000 1.084 24 F CA 0.942 59.177 58.000 0.392 0.000 1.236 24 F CB -0.304 38.780 39.000 0.141 0.000 0.984 24 F HN 0.135 nan 8.300 nan 0.000 0.488 25 L N -0.162 121.256 121.223 0.326 0.000 2.056 25 L HA -0.174 4.159 4.340 -0.011 0.000 0.207 25 L C 2.086 179.145 176.870 0.316 0.000 1.078 25 L CA 1.436 56.406 54.840 0.216 0.000 0.749 25 L CB -0.530 41.614 42.059 0.142 0.000 0.901 25 L HN 0.024 nan 8.230 nan 0.000 0.433 26 V N -0.863 119.232 119.914 0.302 0.000 2.878 26 V HA -0.166 3.947 4.120 -0.011 0.000 0.250 26 V C 2.320 178.580 176.094 0.276 0.000 1.075 26 V CA 0.463 62.924 62.300 0.268 0.000 1.096 26 V CB -0.263 31.628 31.823 0.115 0.000 0.724 26 V HN 0.294 nan 8.190 nan 0.000 0.467 27 L N 2.170 123.601 121.223 0.347 0.000 2.046 27 L HA 0.007 4.340 4.340 -0.011 0.000 0.208 27 L C 2.356 179.347 176.870 0.202 0.000 1.077 27 L CA 2.363 57.383 54.840 0.299 0.000 0.747 27 L CB -1.325 40.934 42.059 0.334 0.000 0.896 27 L HN 0.268 nan 8.230 nan 0.000 0.432 28 G N -0.850 108.048 108.800 0.164 0.000 2.491 28 G HA2 -0.335 3.618 3.960 -0.011 0.000 0.218 28 G HA3 -0.335 3.618 3.960 -0.011 0.000 0.218 28 G C 1.447 176.338 174.900 -0.015 0.000 1.180 28 G CA 1.224 46.301 45.100 -0.038 0.000 0.774 28 G HN 0.451 nan 8.290 nan 0.000 0.562 29 F N 0.377 120.479 119.950 0.253 0.000 2.407 29 F HA 0.234 4.754 4.527 -0.011 0.000 0.299 29 F C 2.477 178.450 175.800 0.287 0.000 1.097 29 F CA 0.115 58.331 58.000 0.360 0.000 1.422 29 F CB -0.056 39.144 39.000 0.333 0.000 1.067 29 F HN 0.036 nan 8.300 nan 0.000 0.539 30 L N -0.384 121.045 121.223 0.344 0.000 1.988 30 L HA -0.183 4.150 4.340 -0.011 0.000 0.207 30 L C 2.834 179.826 176.870 0.203 0.000 1.071 30 L CA 1.190 56.187 54.840 0.262 0.000 0.744 30 L CB -1.042 41.136 42.059 0.199 0.000 0.893 30 L HN 0.128 nan 8.230 nan 0.000 0.433 31 A N 0.068 122.981 122.820 0.155 0.000 1.940 31 A HA -0.313 4.001 4.320 -0.011 0.000 0.221 31 A C 2.244 179.878 177.584 0.083 0.000 1.190 31 A CA 2.365 54.457 52.037 0.093 0.000 0.647 31 A CB -0.982 18.060 19.000 0.070 0.000 0.821 31 A HN 0.406 nan 8.150 nan 0.000 0.457 32 L N 0.098 121.407 121.223 0.143 0.000 1.989 32 L HA -0.185 4.148 4.340 -0.011 0.000 0.211 32 L C 2.366 179.279 176.870 0.072 0.000 1.071 32 L CA 2.042 56.873 54.840 -0.015 0.000 0.749 32 L CB -0.302 41.673 42.059 -0.140 0.000 0.890 32 L HN 0.477 nan 8.230 nan 0.000 0.431 33 I N -1.297 119.401 120.570 0.214 0.000 2.118 33 I HA -0.298 3.866 4.170 -0.011 0.000 0.241 33 I C 2.494 178.678 176.117 0.111 0.000 1.070 33 I CA 1.548 62.984 61.300 0.227 0.000 1.327 33 I CB -1.433 36.737 38.000 0.283 0.000 1.034 33 I HN 0.155 nan 8.210 nan 0.000 0.405 34 V N 1.772 121.730 119.914 0.074 0.000 2.218 34 V HA -0.313 3.800 4.120 -0.011 0.000 0.251 34 V C 2.711 178.796 176.094 -0.016 0.000 1.057 34 V CA 2.559 64.859 62.300 0.001 0.000 1.022 34 V CB -1.748 30.091 31.823 0.026 0.000 0.645 34 V HN 0.593 nan 8.190 nan 0.000 0.451 35 G N -0.266 108.563 108.800 0.048 0.000 2.771 35 G HA2 -0.285 3.668 3.960 -0.011 0.000 0.214 35 G HA3 -0.285 3.668 3.960 -0.011 0.000 0.214 35 G C 1.557 176.550 174.900 0.155 0.000 1.331 35 G CA 1.339 46.499 45.100 0.100 0.000 0.812 35 G HN 0.561 nan 8.290 nan 0.000 0.628 36 S N 0.544 116.279 115.700 0.060 0.000 2.498 36 S HA -0.154 4.309 4.470 -0.011 0.000 0.274 36 S C 1.947 176.642 174.600 0.159 0.000 0.980 36 S CA 0.883 59.183 58.200 0.167 0.000 0.964 36 S CB -0.321 63.009 63.200 0.216 0.000 0.728 36 S HN 0.326 nan 8.310 nan 0.000 0.521 37 L N -0.938 120.342 121.223 0.095 0.000 2.102 37 L HA 0.100 4.433 4.340 -0.011 0.000 0.202 37 L C 1.965 178.895 176.870 0.100 0.000 1.076 37 L CA 1.137 55.982 54.840 0.008 0.000 0.761 37 L CB -0.328 41.616 42.059 -0.190 0.000 0.921 37 L HN 0.328 nan 8.230 nan 0.000 0.444 38 F N -0.068 119.987 119.950 0.176 0.000 2.293 38 F HA -0.118 4.402 4.527 -0.011 0.000 0.300 38 F C 2.413 178.248 175.800 0.058 0.000 1.086 38 F CA 0.663 58.732 58.000 0.115 0.000 1.375 38 F CB -0.536 38.492 39.000 0.046 0.000 1.045 38 F HN 0.106 nan 8.300 nan 0.000 0.516 39 G N 1.139 110.081 108.800 0.235 0.000 2.514 39 G HA2 -0.245 3.708 3.960 -0.011 0.000 0.217 39 G HA3 -0.245 3.708 3.960 -0.011 0.000 0.217 39 G C -0.745 174.119 174.900 -0.061 0.000 1.198 39 G CA 0.801 45.897 45.100 -0.006 0.000 0.780 39 G HN 0.207 nan 8.290 nan 0.000 0.565 40 P HA -0.120 nan 4.420 nan 0.000 0.217 40 P C 1.351 178.509 177.300 -0.236 0.000 1.148 40 P CA 0.968 63.921 63.100 -0.244 0.000 0.834 40 P CB -0.163 31.305 31.700 -0.387 0.000 0.783 41 F N -0.712 119.209 119.950 -0.049 0.000 2.187 41 F HA -0.105 4.415 4.527 -0.011 0.000 0.295 41 F C 2.537 178.440 175.800 0.172 0.000 1.091 41 F CA 1.101 59.084 58.000 -0.028 0.000 1.308 41 F CB -0.792 38.017 39.000 -0.318 0.000 1.030 41 F HN -0.097 nan 8.300 nan 0.000 0.487 42 Q N 0.291 120.249 119.800 0.264 0.000 2.119 42 Q HA -0.136 4.197 4.340 -0.011 0.000 0.201 42 Q C 2.537 178.653 176.000 0.192 0.000 0.972 42 Q CA 1.177 57.116 55.803 0.227 0.000 0.847 42 Q CB -0.514 28.187 28.738 -0.061 0.000 0.903 42 Q HN 0.428 nan 8.270 nan 0.000 0.433 43 A N 1.406 124.247 122.820 0.036 0.000 1.903 43 A HA -0.222 4.091 4.320 -0.011 0.000 0.219 43 A C 2.100 179.741 177.584 0.095 0.000 1.191 43 A CA 1.527 53.564 52.037 0.001 0.000 0.638 43 A CB -0.832 18.112 19.000 -0.093 0.000 0.823 43 A HN 0.317 nan 8.150 nan 0.000 0.451 44 L N -0.529 120.760 121.223 0.110 0.000 2.141 44 L HA -0.171 4.162 4.340 -0.011 0.000 0.209 44 L C 2.467 179.439 176.870 0.169 0.000 1.094 44 L CA 1.083 55.994 54.840 0.118 0.000 0.763 44 L CB -0.660 41.468 42.059 0.115 0.000 0.908 44 L HN 0.534 nan 8.230 nan 0.000 0.437 45 N N 0.723 119.575 118.700 0.252 0.000 2.002 45 N HA -0.301 4.432 4.740 -0.011 0.000 0.199 45 N C 1.763 177.305 175.510 0.052 0.000 1.060 45 N CA 2.095 55.258 53.050 0.189 0.000 0.867 45 N CB -0.605 38.044 38.487 0.271 0.000 1.069 45 N HN 0.219 nan 8.380 nan 0.000 0.430 46 Y N -0.099 120.213 120.300 0.020 0.000 2.651 46 Y HA 0.026 4.569 4.550 -0.012 0.000 0.293 46 Y C 2.164 178.045 175.900 -0.032 0.000 1.151 46 Y CA 1.040 59.119 58.100 -0.036 0.000 1.362 46 Y CB -0.699 37.717 38.460 -0.074 0.000 0.973 46 Y HN 0.271 nan 8.280 nan 0.000 0.561 47 G N -0.816 108.053 108.800 0.115 0.000 2.985 47 G HA2 -0.111 3.842 3.960 -0.011 0.000 0.209 47 G HA3 -0.111 3.842 3.960 -0.011 0.000 0.209 47 G C 0.570 175.490 174.900 0.034 0.000 1.165 47 G CA 0.325 45.462 45.100 0.062 0.000 0.776 47 G HN 0.587 nan 8.290 nan 0.000 0.541 48 N N -1.588 117.124 118.700 0.020 0.000 2.776 48 N HA -0.191 4.542 4.740 -0.011 0.000 0.249 48 N C -0.890 174.637 175.510 0.028 0.000 1.111 48 N CA -0.057 52.994 53.050 0.001 0.000 0.711 48 N CB -0.647 37.835 38.487 -0.009 0.000 1.065 48 N HN 0.092 nan 8.380 nan 0.000 0.556 49 V N 1.117 121.072 119.914 0.068 0.000 2.531 49 V HA 0.187 4.300 4.120 -0.011 0.000 0.301 49 V C -0.172 176.017 176.094 0.158 0.000 1.034 49 V CA -0.589 61.765 62.300 0.090 0.000 0.865 49 V CB 1.686 33.556 31.823 0.078 0.000 0.995 49 V HN 0.116 nan 8.190 nan 0.000 0.424 50 D N 4.539 125.033 120.400 0.158 0.000 2.619 50 D HA 0.264 4.897 4.640 -0.011 0.000 0.224 50 D C 0.852 177.331 176.300 0.297 0.000 1.133 50 D CA 0.031 54.178 54.000 0.246 0.000 1.017 50 D CB 1.103 42.017 40.800 0.190 0.000 1.077 50 D HN 0.656 nan 8.370 nan 0.000 0.503 51 A N 2.245 125.287 122.820 0.369 0.000 2.327 51 A HA -0.016 4.298 4.320 -0.011 0.000 0.228 51 A C 1.083 178.844 177.584 0.296 0.000 1.275 51 A CA -0.122 52.126 52.037 0.351 0.000 0.875 51 A CB -0.312 18.931 19.000 0.405 0.000 0.925 51 A HN 0.430 nan 8.150 nan 0.000 0.493 52 Y N 0.902 121.275 120.300 0.121 0.000 2.337 52 Y HA -0.033 4.511 4.550 -0.011 0.000 0.293 52 Y C -0.238 175.628 175.900 -0.057 0.000 1.123 52 Y CA 1.505 59.589 58.100 -0.028 0.000 1.201 52 Y CB -0.550 37.885 38.460 -0.043 0.000 1.011 52 Y HN 0.352 nan 8.280 nan 0.000 0.545 53 P HA -0.209 nan 4.420 nan 0.000 0.216 53 P C 1.988 179.293 177.300 0.007 0.000 1.153 53 P CA 1.219 64.360 63.100 0.068 0.000 0.848 53 P CB -0.007 31.750 31.700 0.096 0.000 0.787 54 L N -0.641 120.602 121.223 0.033 0.000 2.081 54 L HA -0.167 4.167 4.340 -0.011 0.000 0.212 54 L C 2.341 179.145 176.870 -0.110 0.000 1.080 54 L CA 1.728 56.588 54.840 0.034 0.000 0.754 54 L CB -1.236 40.920 42.059 0.161 0.000 0.893 54 L HN -0.031 nan 8.230 nan 0.000 0.433 55 L N 0.108 121.096 121.223 -0.392 0.000 2.007 55 L HA -0.185 4.148 4.340 -0.011 0.000 0.205 55 L C 2.693 179.374 176.870 -0.315 0.000 1.073 55 L CA 1.576 56.003 54.840 -0.687 0.000 0.744 55 L CB -0.672 40.580 42.059 -1.345 0.000 0.898 55 L HN 0.078 nan 8.230 nan 0.000 0.435 56 K N 0.711 120.989 120.400 -0.203 0.000 2.052 56 K HA -0.273 4.040 4.320 -0.011 0.000 0.215 56 K C 2.280 178.849 176.600 -0.052 0.000 1.053 56 K CA 2.547 58.779 56.287 -0.093 0.000 0.934 56 K CB -0.380 32.118 32.500 -0.004 0.000 0.717 56 K HN 0.572 nan 8.250 nan 0.000 0.450 57 R N 0.042 120.524 120.500 -0.030 0.000 2.189 57 R HA -0.029 4.304 4.340 -0.011 0.000 0.218 57 R C 2.312 178.615 176.300 0.005 0.000 1.074 57 R CA 1.028 57.129 56.100 0.001 0.000 0.991 57 R CB -0.564 29.744 30.300 0.013 0.000 0.883 57 R HN 0.055 nan 8.270 nan 0.000 0.457 58 L N 0.389 121.597 121.223 -0.024 0.000 2.610 58 L HA 0.226 4.559 4.340 -0.011 0.000 0.232 58 L C 0.052 176.938 176.870 0.026 0.000 1.149 58 L CA 1.027 55.862 54.840 -0.008 0.000 0.872 58 L CB 0.384 42.424 42.059 -0.032 0.000 0.992 58 L HN 0.251 nan 8.230 nan 0.000 0.447 59 L N -0.901 120.362 121.223 0.066 0.000 2.332 59 L HA 0.146 4.479 4.340 -0.011 0.000 0.266 59 L C -2.000 175.005 176.870 0.226 0.000 1.466 59 L CA -0.489 54.504 54.840 0.254 0.000 0.697 59 L CB 0.790 43.081 42.059 0.387 0.000 0.904 59 L HN -0.170 nan 8.230 nan 0.000 0.530 60 P HA -0.155 nan 4.420 nan 0.000 0.231 60 P C 1.544 178.899 177.300 0.091 0.000 1.158 60 P CA 0.614 63.759 63.100 0.075 0.000 0.763 60 P CB -0.128 31.615 31.700 0.072 0.000 0.805 61 F N -1.293 118.676 119.950 0.032 0.000 2.449 61 F HA -0.038 4.482 4.527 -0.011 0.000 0.299 61 F C 0.412 176.246 175.800 0.055 0.000 1.092 61 F CA 0.283 58.308 58.000 0.043 0.000 1.446 61 F CB -1.202 37.823 39.000 0.042 0.000 1.084 61 F HN -0.321 nan 8.300 nan 0.000 0.567 62 V N 2.957 122.446 119.914 -0.708 0.000 2.370 62 V HA 0.148 4.261 4.120 -0.011 0.000 0.279 62 V C 0.524 176.457 176.094 -0.268 0.000 1.029 62 V CA -0.543 61.327 62.300 -0.715 0.000 0.870 62 V CB 1.499 32.873 31.823 -0.747 0.000 0.984 62 V HN 0.263 nan 8.190 nan 0.000 0.451 63 Q N 2.564 122.256 119.800 -0.180 0.000 2.080 63 Q HA 0.150 4.484 4.340 -0.011 0.000 0.195 63 Q C 0.961 176.987 176.000 0.043 0.000 0.989 63 Q CA 0.753 56.540 55.803 -0.026 0.000 0.838 63 Q CB -0.169 28.587 28.738 0.030 0.000 0.915 63 Q HN 0.798 nan 8.270 nan 0.000 0.482 64 S N -0.579 115.159 115.700 0.063 0.000 2.654 64 S HA 0.199 4.662 4.470 -0.011 0.000 0.283 64 S C 0.758 175.401 174.600 0.071 0.000 1.180 64 S CA -0.719 57.577 58.200 0.160 0.000 1.021 64 S CB 0.784 64.136 63.200 0.253 0.000 1.018 64 S HN 0.372 nan 8.310 nan 0.000 0.532 65 Y N 1.131 121.282 120.300 -0.249 0.000 2.181 65 Y HA -0.296 4.248 4.550 -0.011 0.000 0.284 65 Y C 1.380 176.964 175.900 -0.527 0.000 1.179 65 Y CA 1.729 59.315 58.100 -0.857 0.000 1.179 65 Y CB -0.474 36.842 38.460 -1.905 0.000 0.973 65 Y HN 0.770 nan 8.280 nan 0.000 0.519 66 Y N -0.175 120.094 120.300 -0.051 0.000 2.457 66 Y HA -0.122 4.421 4.550 -0.011 0.000 0.292 66 Y C 2.674 178.419 175.900 -0.258 0.000 1.125 66 Y CA 1.204 59.249 58.100 -0.093 0.000 1.254 66 Y CB -0.581 37.841 38.460 -0.064 0.000 1.012 66 Y HN 0.209 nan 8.280 nan 0.000 0.555 67 Q N 0.356 120.080 119.800 -0.126 0.000 2.084 67 Q HA -0.139 4.194 4.340 -0.011 0.000 0.202 67 Q C 2.397 178.138 176.000 -0.432 0.000 0.978 67 Q CA 1.433 57.085 55.803 -0.251 0.000 0.844 67 Q CB -0.441 28.165 28.738 -0.220 0.000 0.898 67 Q HN 0.600 nan 8.270 nan 0.000 0.426 68 G N 1.503 109.901 108.800 -0.670 0.000 2.639 68 G HA2 -0.311 3.642 3.960 -0.011 0.000 0.216 68 G HA3 -0.311 3.642 3.960 -0.011 0.000 0.216 68 G C 1.287 175.798 174.900 -0.647 0.000 1.267 68 G CA 0.916 45.303 45.100 -1.188 0.000 0.801 68 G HN 0.383 nan 8.290 nan 0.000 0.592 69 L N 0.865 121.807 121.223 -0.468 0.000 2.151 69 L HA -0.127 4.206 4.340 -0.011 0.000 0.215 69 L C 2.862 179.687 176.870 -0.076 0.000 1.084 69 L CA 2.599 57.316 54.840 -0.206 0.000 0.764 69 L CB -1.033 40.949 42.059 -0.129 0.000 0.891 69 L HN 0.273 nan 8.230 nan 0.000 0.435 70 T N -1.068 113.400 114.554 -0.144 0.000 2.851 70 T HA -0.052 4.292 4.350 -0.011 0.000 0.262 70 T C 1.924 176.579 174.700 -0.075 0.000 1.043 70 T CA 1.189 63.224 62.100 -0.108 0.000 1.140 70 T CB -0.072 68.682 68.868 -0.190 0.000 0.872 70 T HN 0.256 nan 8.240 nan 0.000 0.446 71 L N 0.169 121.322 121.223 -0.117 0.000 1.955 71 L HA -0.161 4.173 4.340 -0.011 0.000 0.213 71 L C 2.453 179.368 176.870 0.076 0.000 1.072 71 L CA 2.007 56.858 54.840 0.018 0.000 0.755 71 L CB -0.709 41.442 42.059 0.153 0.000 0.888 71 L HN 0.345 nan 8.230 nan 0.000 0.432 72 H N -0.359 118.709 119.070 -0.004 0.000 2.292 72 H HA -0.207 4.343 4.556 -0.011 0.000 0.292 72 H C 1.965 177.246 175.328 -0.079 0.000 1.100 72 H CA 2.038 58.100 56.048 0.024 0.000 1.238 72 H CB -0.508 29.259 29.762 0.009 0.000 1.355 72 H HN 0.332 nan 8.280 nan 0.000 0.484 73 G N -0.140 108.662 108.800 0.004 0.000 2.701 73 G HA2 -0.300 3.653 3.960 -0.011 0.000 0.215 73 G HA3 -0.300 3.653 3.960 -0.011 0.000 0.215 73 G C 1.796 176.619 174.900 -0.129 0.000 1.297 73 G CA 2.148 47.158 45.100 -0.150 0.000 0.807 73 G HN 0.386 nan 8.290 nan 0.000 0.608 74 V N 1.640 121.571 119.914 0.028 0.000 2.215 74 V HA -0.279 3.834 4.120 -0.011 0.000 0.249 74 V C 2.954 178.978 176.094 -0.117 0.000 1.054 74 V CA 2.210 64.525 62.300 0.026 0.000 1.012 74 V CB -1.103 30.757 31.823 0.063 0.000 0.639 74 V HN 0.417 nan 8.190 nan 0.000 0.448 75 L N 0.270 121.424 121.223 -0.116 0.000 1.991 75 L HA -0.324 4.010 4.340 -0.011 0.000 0.221 75 L C 2.316 179.070 176.870 -0.194 0.000 1.079 75 L CA 2.729 57.485 54.840 -0.140 0.000 0.778 75 L CB -1.080 40.942 42.059 -0.062 0.000 0.893 75 L HN 0.474 nan 8.230 nan 0.000 0.437 76 N N -0.540 117.980 118.700 -0.300 0.000 2.171 76 N HA -0.071 4.662 4.740 -0.011 0.000 0.184 76 N C 1.853 177.052 175.510 -0.518 0.000 1.021 76 N CA 0.928 53.724 53.050 -0.424 0.000 0.854 76 N CB -0.155 37.970 38.487 -0.604 0.000 0.994 76 N HN 0.343 nan 8.380 nan 0.000 0.426 77 A N 0.609 123.061 122.820 -0.613 0.000 1.943 77 A HA 0.130 4.443 4.320 -0.011 0.000 0.213 77 A C 1.947 179.071 177.584 -0.767 0.000 1.181 77 A CA 0.547 51.977 52.037 -1.012 0.000 0.653 77 A CB -0.135 18.382 19.000 -0.804 0.000 0.833 77 A HN 0.124 nan 8.150 nan 0.000 0.451 78 I N -1.201 119.193 120.570 -0.292 0.000 2.681 78 I HA -0.027 4.136 4.170 -0.011 0.000 0.247 78 I C 2.155 178.149 176.117 -0.205 0.000 1.091 78 I CA 0.501 61.716 61.300 -0.141 0.000 1.442 78 I CB -0.716 37.248 38.000 -0.060 0.000 1.219 78 I HN 0.068 nan 8.210 nan 0.000 0.451 79 V N 1.641 121.366 119.914 -0.315 0.000 2.232 79 V HA -0.319 3.794 4.120 -0.011 0.000 0.237 79 V C 2.358 178.458 176.094 0.010 0.000 1.035 79 V CA 2.248 64.379 62.300 -0.282 0.000 0.988 79 V CB -0.965 30.669 31.823 -0.315 0.000 0.636 79 V HN 0.412 nan 8.190 nan 0.000 0.456 80 F N 1.851 121.691 119.950 -0.183 0.000 2.135 80 F HA -0.360 4.160 4.527 -0.011 0.000 0.300 80 F C 2.577 178.248 175.800 -0.215 0.000 1.074 80 F CA 2.701 60.566 58.000 -0.224 0.000 1.262 80 F CB -0.542 38.263 39.000 -0.326 0.000 1.013 80 F HN 0.382 nan 8.300 nan 0.000 0.489 81 T N -2.013 112.454 114.554 -0.144 0.000 2.809 81 T HA -0.188 4.155 4.350 -0.011 0.000 0.260 81 T C 1.968 176.647 174.700 -0.034 0.000 1.039 81 T CA 1.301 63.275 62.100 -0.209 0.000 1.141 81 T CB -0.652 67.935 68.868 -0.469 0.000 0.869 81 T HN 0.609 nan 8.240 nan 0.000 0.437 82 Q N 0.357 120.231 119.800 0.123 0.000 2.083 82 Q HA 0.053 4.386 4.340 -0.011 0.000 0.198 82 Q C 2.501 178.578 176.000 0.127 0.000 0.969 82 Q CA 0.996 57.017 55.803 0.363 0.000 0.838 82 Q CB -0.279 28.740 28.738 0.469 0.000 0.900 82 Q HN 0.603 nan 8.270 nan 0.000 0.436 83 L N 0.055 121.316 121.223 0.065 0.000 2.129 83 L HA -0.197 4.136 4.340 -0.011 0.000 0.212 83 L C 2.291 179.035 176.870 -0.210 0.000 1.087 83 L CA 1.106 55.897 54.840 -0.082 0.000 0.757 83 L CB -0.423 41.668 42.059 0.053 0.000 0.896 83 L HN 0.277 nan 8.230 nan 0.000 0.434 84 F N 0.343 120.032 119.950 -0.434 0.000 2.293 84 F HA -0.016 4.504 4.527 -0.011 0.000 0.297 84 F C 2.377 177.990 175.800 -0.312 0.000 1.089 84 F CA 0.832 58.557 58.000 -0.458 0.000 1.377 84 F CB -0.058 38.519 39.000 -0.705 0.000 1.051 84 F HN -0.037 nan 8.300 nan 0.000 0.511 85 A N -0.379 122.333 122.820 -0.180 0.000 2.067 85 A HA -0.156 4.157 4.320 -0.011 0.000 0.219 85 A C 2.058 179.488 177.584 -0.256 0.000 1.158 85 A CA 1.529 53.376 52.037 -0.317 0.000 0.661 85 A CB -0.534 18.109 19.000 -0.594 0.000 0.801 85 A HN 0.568 nan 8.150 nan 0.000 0.452 86 Q N -1.021 118.614 119.800 -0.276 0.000 2.250 86 Q HA 0.149 4.482 4.340 -0.011 0.000 0.200 86 Q C 2.390 178.142 176.000 -0.413 0.000 0.941 86 Q CA 0.678 56.240 55.803 -0.402 0.000 0.872 86 Q CB -0.196 27.928 28.738 -1.022 0.000 0.965 86 Q HN 0.651 nan 8.270 nan 0.000 0.480 87 A N 1.506 124.094 122.820 -0.386 0.000 1.828 87 A HA -0.194 4.120 4.320 -0.011 0.000 0.215 87 A C 1.916 179.383 177.584 -0.195 0.000 1.203 87 A CA 1.317 53.208 52.037 -0.243 0.000 0.614 87 A CB -0.561 18.254 19.000 -0.308 0.000 0.844 87 A HN 0.196 nan 8.150 nan 0.000 0.445 88 I N -0.543 119.791 120.570 -0.394 0.000 2.094 88 I HA -0.167 3.997 4.170 -0.011 0.000 0.234 88 I C 2.317 178.326 176.117 -0.180 0.000 1.063 88 I CA 1.215 62.352 61.300 -0.272 0.000 1.328 88 I CB -1.576 36.181 38.000 -0.405 0.000 1.058 88 I HN 0.230 nan 8.210 nan 0.000 0.400 89 M N 0.146 119.554 119.600 -0.320 0.000 2.610 89 M HA -0.120 4.353 4.480 -0.011 0.000 0.257 89 M C 2.019 178.441 176.300 0.202 0.000 1.070 89 M CA 0.894 55.995 55.300 -0.332 0.000 1.047 89 M CB -1.581 30.355 32.600 -1.108 0.000 1.386 89 M HN 0.106 nan 8.290 nan 0.000 0.493 90 V N -1.737 118.297 119.914 0.200 0.000 2.695 90 V HA -0.144 3.969 4.120 -0.011 0.000 0.230 90 V C 1.891 178.080 176.094 0.159 0.000 1.110 90 V CA 0.549 62.980 62.300 0.220 0.000 1.159 90 V CB -0.623 31.310 31.823 0.182 0.000 0.875 90 V HN 0.325 nan 8.190 nan 0.000 0.502 91 Y N 0.659 120.970 120.300 0.018 0.000 2.348 91 Y HA -0.238 4.305 4.550 -0.011 0.000 0.285 91 Y C 1.903 177.819 175.900 0.027 0.000 1.173 91 Y CA 1.675 59.776 58.100 0.001 0.000 1.263 91 Y CB -0.231 38.200 38.460 -0.049 0.000 0.974 91 Y HN 0.205 nan 8.280 nan 0.000 0.547 92 L N -0.352 120.821 121.223 -0.084 0.000 2.034 92 L HA -0.065 4.268 4.340 -0.011 0.000 0.203 92 L C -0.159 176.703 176.870 -0.012 0.000 1.074 92 L CA 0.928 55.720 54.840 -0.081 0.000 0.748 92 L CB -1.817 40.260 42.059 0.030 0.000 0.905 92 L HN 0.063 nan 8.230 nan 0.000 0.439 93 P HA -0.264 nan 4.420 nan 0.000 0.218 93 P C 1.410 178.720 177.300 0.017 0.000 1.154 93 P CA 2.119 65.218 63.100 -0.001 0.000 0.872 93 P CB -0.086 31.645 31.700 0.051 0.000 0.790 94 A N 0.417 123.257 122.820 0.033 0.000 1.849 94 A HA -0.280 4.033 4.320 -0.011 0.000 0.216 94 A C 2.236 179.841 177.584 0.035 0.000 1.225 94 A CA 2.203 54.272 52.037 0.054 0.000 0.653 94 A CB -1.356 17.687 19.000 0.071 0.000 0.844 94 A HN 0.060 nan 8.150 nan 0.000 0.453 95 R N -0.322 120.137 120.500 -0.069 0.000 2.200 95 R HA -0.126 4.208 4.340 -0.011 0.000 0.234 95 R C 1.942 178.310 176.300 0.114 0.000 1.127 95 R CA 1.255 57.320 56.100 -0.059 0.000 0.989 95 R CB -0.568 29.529 30.300 -0.339 0.000 0.869 95 R HN 0.786 nan 8.270 nan 0.000 0.459 96 E N 0.676 120.987 120.200 0.185 0.000 2.216 96 E HA -0.042 4.301 4.350 -0.011 0.000 0.192 96 E C 1.432 178.048 176.600 0.026 0.000 0.988 96 E CA 0.538 57.040 56.400 0.171 0.000 0.834 96 E CB 0.237 29.918 29.700 -0.031 0.000 0.772 96 E HN 0.285 nan 8.360 nan 0.000 0.479 97 L N 0.150 121.384 121.223 0.018 0.000 2.640 97 L HA 0.112 4.445 4.340 -0.011 0.000 0.230 97 L C 1.009 178.014 176.870 0.225 0.000 1.123 97 L CA 0.038 54.908 54.840 0.051 0.000 0.900 97 L CB 0.017 42.055 42.059 -0.035 0.000 1.146 97 L HN 0.152 nan 8.230 nan 0.000 0.484 98 N N 0.496 119.304 118.700 0.180 0.000 2.886 98 N HA -0.291 4.442 4.740 -0.011 0.000 0.229 98 N C 0.395 176.032 175.510 0.211 0.000 0.847 98 N CA 1.558 54.731 53.050 0.204 0.000 1.132 98 N CB -0.844 37.767 38.487 0.206 0.000 1.018 98 N HN 0.267 nan 8.380 nan 0.000 0.624 99 M N 0.406 120.133 119.600 0.210 0.000 2.247 99 M HA -0.062 4.411 4.480 -0.011 0.000 0.318 99 M C 0.897 177.304 176.300 0.178 0.000 1.054 99 M CA 0.509 55.923 55.300 0.189 0.000 1.117 99 M CB 0.220 32.948 32.600 0.213 0.000 1.515 99 M HN 0.128 nan 8.290 nan 0.000 0.442 100 R N 3.945 124.537 120.500 0.154 0.000 2.210 100 R HA 0.291 4.624 4.340 -0.011 0.000 0.338 100 R C -2.316 174.067 176.300 0.139 0.000 1.062 100 R CA -1.604 54.586 56.100 0.150 0.000 0.902 100 R CB 0.386 30.753 30.300 0.112 0.000 1.050 100 R HN 0.340 nan 8.270 nan 0.000 0.461 101 P HA -0.133 nan 4.420 nan 0.000 0.266 101 P C -0.487 176.888 177.300 0.125 0.000 1.193 101 P CA 0.032 63.214 63.100 0.136 0.000 0.770 101 P CB 0.427 32.202 31.700 0.126 0.000 0.836 102 N N 3.393 122.178 118.700 0.141 0.000 2.718 102 N HA -0.084 4.649 4.740 -0.011 0.000 0.315 102 N C 1.314 176.885 175.510 0.102 0.000 1.191 102 N CA 0.130 53.258 53.050 0.129 0.000 1.172 102 N CB -0.209 38.384 38.487 0.176 0.000 1.441 102 N HN 0.266 nan 8.380 nan 0.000 0.519 103 M N 0.022 119.685 119.600 0.106 0.000 2.408 103 M HA -0.182 4.291 4.480 -0.011 0.000 0.256 103 M C 1.755 178.174 176.300 0.199 0.000 1.090 103 M CA 1.029 56.407 55.300 0.129 0.000 1.038 103 M CB -1.167 31.516 32.600 0.138 0.000 1.385 103 M HN 0.419 nan 8.290 nan 0.000 0.432 104 G N -0.252 108.630 108.800 0.136 0.000 2.456 104 G HA2 -0.079 3.875 3.960 -0.011 0.000 0.213 104 G HA3 -0.079 3.875 3.960 -0.011 0.000 0.213 104 G C 1.538 176.520 174.900 0.137 0.000 1.215 104 G CA 0.040 45.218 45.100 0.131 0.000 0.805 104 G HN 0.410 nan 8.290 nan 0.000 0.537 105 L N 0.108 121.358 121.223 0.046 0.000 2.051 105 L HA -0.091 4.242 4.340 -0.011 0.000 0.214 105 L C 2.818 179.744 176.870 0.092 0.000 1.076 105 L CA 1.069 55.913 54.840 0.008 0.000 0.758 105 L CB -0.339 41.626 42.059 -0.157 0.000 0.890 105 L HN 0.236 nan 8.230 nan 0.000 0.433 106 M N -2.100 117.559 119.600 0.097 0.000 2.722 106 M HA -0.155 4.318 4.480 -0.011 0.000 0.238 106 M C 1.164 177.461 176.300 -0.007 0.000 1.098 106 M CA 1.280 56.625 55.300 0.075 0.000 1.062 106 M CB -0.064 32.554 32.600 0.030 0.000 1.573 106 M HN 0.363 nan 8.290 nan 0.000 0.531 107 W N -1.776 119.557 121.300 0.056 0.000 2.782 107 W HA 0.018 4.672 4.660 -0.011 0.000 0.268 107 W C 1.504 178.110 176.519 0.145 0.000 1.043 107 W CA -0.432 56.948 57.345 0.059 0.000 1.387 107 W CB 0.402 29.869 29.460 0.011 0.000 0.904 107 W HN 0.082 nan 8.180 nan 0.000 0.625 108 L N 0.627 122.059 121.223 0.348 0.000 2.131 108 L HA -0.110 4.223 4.340 -0.011 0.000 0.210 108 L C 2.053 179.090 176.870 0.278 0.000 1.092 108 L CA 2.094 57.099 54.840 0.275 0.000 0.759 108 L CB -0.830 41.326 42.059 0.161 0.000 0.903 108 L HN -0.230 nan 8.230 nan 0.000 0.435 109 S N -0.773 115.077 115.700 0.251 0.000 2.378 109 S HA -0.305 4.158 4.470 -0.011 0.000 0.221 109 S C 1.518 176.194 174.600 0.127 0.000 1.037 109 S CA 2.026 60.387 58.200 0.269 0.000 1.069 109 S CB -1.103 62.354 63.200 0.428 0.000 1.006 109 S HN 0.738 nan 8.310 nan 0.000 0.423 110 W N 0.700 121.764 121.300 -0.394 0.000 2.335 110 W HA -0.168 4.486 4.660 -0.011 0.000 0.311 110 W C 1.922 178.398 176.519 -0.071 0.000 1.213 110 W CA 1.376 58.379 57.345 -0.570 0.000 1.274 110 W CB -0.552 28.512 29.460 -0.660 0.000 1.148 110 W HN 0.318 nan 8.180 nan 0.000 0.498 111 W N 0.018 121.630 121.300 0.520 0.000 2.338 111 W HA -0.242 4.412 4.660 -0.011 0.000 0.304 111 W C 2.666 179.254 176.519 0.115 0.000 1.212 111 W CA 2.026 59.599 57.345 0.380 0.000 1.264 111 W CB -1.036 28.625 29.460 0.335 0.000 1.142 111 W HN -0.153 nan 8.180 nan 0.000 0.512 112 M N -0.199 119.552 119.600 0.252 0.000 2.443 112 M HA -0.308 4.165 4.480 -0.011 0.000 0.267 112 M C 2.506 178.788 176.300 -0.031 0.000 1.069 112 M CA 2.335 57.710 55.300 0.126 0.000 1.085 112 M CB -1.330 31.340 32.600 0.118 0.000 1.243 112 M HN 0.066 nan 8.290 nan 0.000 0.464 113 A N 0.386 123.082 122.820 -0.206 0.000 1.865 113 A HA -0.342 3.972 4.320 -0.011 0.000 0.244 113 A C 1.905 179.292 177.584 -0.328 0.000 1.984 113 A CA 2.748 54.474 52.037 -0.519 0.000 0.785 113 A CB -1.739 16.929 19.000 -0.553 0.000 0.849 113 A HN 0.591 nan 8.150 nan 0.000 0.501 114 F N -0.500 119.081 119.950 -0.614 0.000 2.015 114 F HA -0.238 4.283 4.527 -0.011 0.000 0.297 114 F C 2.143 177.840 175.800 -0.172 0.000 1.141 114 F CA 2.465 60.136 58.000 -0.548 0.000 1.192 114 F CB -0.532 37.900 39.000 -0.946 0.000 0.957 114 F HN 0.228 nan 8.300 nan 0.000 0.491 115 I N 0.600 121.282 120.570 0.187 0.000 2.163 115 I HA -0.213 3.950 4.170 -0.011 0.000 0.243 115 I C 2.790 178.967 176.117 0.100 0.000 1.085 115 I CA 1.760 63.182 61.300 0.203 0.000 1.347 115 I CB -1.445 36.721 38.000 0.276 0.000 1.044 115 I HN 0.305 nan 8.210 nan 0.000 0.408 116 G N 0.444 109.302 108.800 0.097 0.000 2.556 116 G HA2 -0.328 3.625 3.960 -0.011 0.000 0.220 116 G HA3 -0.328 3.625 3.960 -0.011 0.000 0.220 116 G C 1.677 176.638 174.900 0.101 0.000 1.156 116 G CA 1.416 46.583 45.100 0.112 0.000 0.766 116 G HN 0.382 nan 8.290 nan 0.000 0.583 117 L N 1.235 122.536 121.223 0.130 0.000 1.994 117 L HA -0.050 4.283 4.340 -0.011 0.000 0.208 117 L C 2.992 179.778 176.870 -0.140 0.000 1.071 117 L CA 2.300 57.134 54.840 -0.010 0.000 0.745 117 L CB -0.757 41.286 42.059 -0.027 0.000 0.892 117 L HN 0.174 nan 8.230 nan 0.000 0.431 118 V N -2.490 117.303 119.914 -0.201 0.000 2.626 118 V HA -0.155 3.958 4.120 -0.011 0.000 0.252 118 V C 2.436 178.506 176.094 -0.040 0.000 1.067 118 V CA 1.303 63.528 62.300 -0.126 0.000 1.081 118 V CB -1.337 30.453 31.823 -0.056 0.000 0.686 118 V HN 0.330 nan 8.190 nan 0.000 0.468 119 V N 1.052 120.958 119.914 -0.014 0.000 2.295 119 V HA -0.141 3.973 4.120 -0.011 0.000 0.246 119 V C 2.644 178.684 176.094 -0.089 0.000 1.049 119 V CA 2.208 64.490 62.300 -0.031 0.000 1.024 119 V CB -1.021 30.805 31.823 0.005 0.000 0.648 119 V HN 0.606 nan 8.190 nan 0.000 0.447 120 A N -1.061 121.714 122.820 -0.074 0.000 2.275 120 A HA 0.548 4.861 4.320 -0.011 0.000 0.212 120 A C 2.057 179.645 177.584 0.007 0.000 1.201 120 A CA 0.956 52.966 52.037 -0.044 0.000 0.843 120 A CB -0.201 18.724 19.000 -0.124 0.000 0.873 120 A HN 0.474 nan 8.150 nan 0.000 0.492 121 A N -0.161 122.636 122.820 -0.037 0.000 1.862 121 A HA 0.193 4.507 4.320 -0.011 0.000 0.211 121 A C 1.928 179.501 177.584 -0.017 0.000 1.220 121 A CA 0.826 52.847 52.037 -0.027 0.000 0.616 121 A CB -0.660 18.301 19.000 -0.066 0.000 0.878 121 A HN 0.375 nan 8.150 nan 0.000 0.453 122 L N 0.215 121.413 121.223 -0.042 0.000 1.987 122 L HA -0.215 4.119 4.340 -0.011 0.000 0.230 122 L C -0.410 176.413 176.870 -0.077 0.000 1.089 122 L CA 2.745 57.553 54.840 -0.054 0.000 0.802 122 L CB -1.313 40.704 42.059 -0.071 0.000 0.905 122 L HN 0.283 nan 8.230 nan 0.000 0.441 123 P HA -0.172 nan 4.420 nan 0.000 0.220 123 P C 1.887 179.161 177.300 -0.045 0.000 1.148 123 P CA 1.454 64.441 63.100 -0.189 0.000 0.803 123 P CB 0.036 31.590 31.700 -0.244 0.000 0.782 124 L N -1.348 119.872 121.223 -0.006 0.000 2.109 124 L HA -0.041 4.292 4.340 -0.011 0.000 0.207 124 L C 2.130 179.047 176.870 0.078 0.000 1.086 124 L CA 1.088 55.935 54.840 0.013 0.000 0.760 124 L CB -0.615 41.464 42.059 0.033 0.000 0.910 124 L HN -0.155 nan 8.230 nan 0.000 0.437 125 L N -1.065 120.234 121.223 0.127 0.000 2.627 125 L HA 0.070 4.404 4.340 -0.011 0.000 0.233 125 L C 1.973 178.983 176.870 0.233 0.000 1.144 125 L CA 0.483 55.494 54.840 0.285 0.000 0.892 125 L CB -0.524 41.682 42.059 0.244 0.000 1.039 125 L HN 0.148 nan 8.230 nan 0.000 0.442 126 A N -0.450 122.436 122.820 0.111 0.000 1.909 126 A HA 0.136 4.449 4.320 -0.011 0.000 0.210 126 A C 1.232 178.882 177.584 0.111 0.000 1.273 126 A CA 0.905 52.995 52.037 0.088 0.000 0.654 126 A CB 0.113 19.122 19.000 0.014 0.000 0.945 126 A HN 0.405 nan 8.150 nan 0.000 0.471 127 N N -2.039 116.736 118.700 0.126 0.000 2.967 127 N HA -0.091 4.643 4.740 -0.011 0.000 0.176 127 N C 0.114 175.889 175.510 0.441 0.000 1.025 127 N CA 0.820 54.026 53.050 0.261 0.000 1.150 127 N CB -0.849 37.825 38.487 0.311 0.000 0.988 127 N HN 0.396 nan 8.380 nan 0.000 0.543 128 E N -0.262 120.081 120.200 0.238 0.000 2.479 128 E HA 0.394 4.737 4.350 -0.011 0.000 0.193 128 E C 0.201 177.000 176.600 0.331 0.000 1.049 128 E CA 0.467 57.043 56.400 0.294 0.000 0.870 128 E CB 0.551 30.355 29.700 0.172 0.000 0.944 128 E HN 0.414 nan 8.360 nan 0.000 0.492 129 A N 0.819 123.718 122.820 0.131 0.000 2.651 129 A HA 0.461 4.774 4.320 -0.011 0.000 0.290 129 A C -0.373 176.995 177.584 -0.360 0.000 1.185 129 A CA -0.519 51.431 52.037 -0.145 0.000 0.746 129 A CB 0.741 19.451 19.000 -0.483 0.000 1.213 129 A HN -0.091 nan 8.150 nan 0.000 0.429 130 T N 2.230 116.462 114.554 -0.536 0.000 3.585 130 T HA 0.355 4.698 4.350 -0.011 0.000 0.252 130 T C 0.154 174.289 174.700 -0.943 0.000 1.382 130 T CA 0.152 61.798 62.100 -0.756 0.000 1.584 130 T CB -0.105 68.269 68.868 -0.823 0.000 0.892 130 T HN 1.121 nan 8.240 nan 0.000 0.671 131 V N -0.350 119.201 119.914 -0.606 0.000 2.909 131 V HA 0.523 4.636 4.120 -0.011 0.000 0.362 131 V C 0.211 176.172 176.094 -0.221 0.000 1.356 131 V CA -0.993 61.064 62.300 -0.406 0.000 1.195 131 V CB -0.971 30.685 31.823 -0.279 0.000 1.256 131 V HN 0.625 nan 8.190 nan 0.000 0.567 132 L N -0.765 120.349 121.223 -0.183 0.000 0.628 132 L HA -0.289 4.045 4.340 -0.011 0.000 0.357 132 L C 1.550 178.399 176.870 -0.036 0.000 1.003 132 L CA 0.897 55.705 54.840 -0.053 0.000 1.222 132 L CB -0.683 41.390 42.059 0.025 0.000 0.017 132 L HN 0.734 nan 8.230 nan 0.000 0.108 133 Y N 0.077 120.321 120.300 -0.093 0.000 2.348 133 Y HA -0.253 4.290 4.550 -0.011 0.000 0.285 133 Y C 1.959 177.732 175.900 -0.212 0.000 1.173 133 Y CA 2.059 60.119 58.100 -0.067 0.000 1.263 133 Y CB -1.004 37.429 38.460 -0.045 0.000 0.974 133 Y HN 0.626 nan 8.280 nan 0.000 0.547 134 T N 1.283 115.425 114.554 -0.686 0.000 2.985 134 T HA -0.091 4.252 4.350 -0.011 0.000 0.266 134 T C 0.487 174.282 174.700 -1.508 0.000 1.076 134 T CA 0.606 61.857 62.100 -1.416 0.000 1.135 134 T CB -1.042 66.789 68.868 -1.727 0.000 0.890 134 T HN 0.725 nan 8.240 nan 0.000 0.480 135 F N 0.185 119.898 119.950 -0.395 0.000 2.783 135 F HA -0.232 4.289 4.527 -0.011 0.000 0.222 135 F C -0.623 175.104 175.800 -0.122 0.000 1.028 135 F CA -1.305 56.593 58.000 -0.169 0.000 0.862 135 F CB -2.973 36.068 39.000 0.068 0.000 0.744 135 F HN 0.288 nan 8.300 nan 0.000 0.850 136 Y N 1.503 121.742 120.300 -0.101 0.000 2.402 136 Y HA 0.345 4.889 4.550 -0.010 0.000 0.333 136 Y C -1.515 174.434 175.900 0.081 0.000 1.076 136 Y CA -2.277 55.761 58.100 -0.104 0.000 1.299 136 Y CB 0.688 39.068 38.460 -0.133 0.000 1.197 136 Y HN 0.076 nan 8.280 nan 0.000 0.517 137 P HA 0.012 nan 4.420 nan 0.000 0.271 137 P C -2.140 175.199 177.300 0.066 0.000 1.226 137 P CA -0.923 62.237 63.100 0.100 0.000 0.765 137 P CB 0.798 32.426 31.700 -0.119 0.000 0.835 138 P HA 0.107 nan 4.420 nan 0.000 0.249 138 P C 0.017 177.589 177.300 0.455 0.000 1.177 138 P CA 0.178 63.416 63.100 0.230 0.000 0.879 138 P CB 0.395 32.264 31.700 0.282 0.000 1.083 139 L N 1.149 122.622 121.223 0.416 0.000 2.720 139 L HA -0.080 4.253 4.340 -0.011 0.000 0.289 139 L C 1.028 178.275 176.870 0.628 0.000 1.232 139 L CA 0.716 55.861 54.840 0.508 0.000 0.915 139 L CB -0.503 41.787 42.059 0.386 0.000 1.184 139 L HN 0.040 nan 8.230 nan 0.000 0.491 140 K N 2.120 122.901 120.400 0.635 0.000 2.095 140 K HA 0.647 4.960 4.320 -0.011 0.000 0.252 140 K C 0.170 177.099 176.600 0.547 0.000 0.977 140 K CA -0.255 56.378 56.287 0.577 0.000 0.900 140 K CB 1.692 34.284 32.500 0.154 0.000 1.060 140 K HN 0.662 nan 8.250 nan 0.000 0.449 141 G N 0.369 109.509 108.800 0.567 0.000 3.107 141 G HA2 0.184 4.137 3.960 -0.011 0.000 0.232 141 G HA3 0.184 4.137 3.960 -0.011 0.000 0.232 141 G C -0.951 174.196 174.900 0.411 0.000 1.339 141 G CA -0.429 44.961 45.100 0.483 0.000 1.033 141 G HN 0.697 nan 8.290 nan 0.000 0.567 142 H N -0.263 118.959 119.070 0.254 0.000 2.597 142 H HA 0.044 4.593 4.556 -0.011 0.000 0.370 142 H C 1.311 176.776 175.328 0.229 0.000 1.281 142 H CA -0.121 56.023 56.048 0.161 0.000 1.422 142 H CB 0.832 30.603 29.762 0.015 0.000 1.524 142 H HN 0.678 nan 8.280 nan 0.000 0.607 143 W N 1.858 122.954 121.300 -0.341 0.000 2.402 143 W HA -0.034 4.619 4.660 -0.011 0.000 0.286 143 W C 1.046 177.652 176.519 0.145 0.000 1.221 143 W CA 0.932 58.209 57.345 -0.112 0.000 1.257 143 W CB -0.680 28.793 29.460 0.021 0.000 1.120 143 W HN 0.505 nan 8.180 nan 0.000 0.551 144 A N 0.404 122.907 122.820 -0.527 0.000 2.119 144 A HA -0.012 4.302 4.320 -0.011 0.000 0.216 144 A C 1.751 179.217 177.584 -0.196 0.000 1.152 144 A CA 0.823 52.424 52.037 -0.726 0.000 0.708 144 A CB -1.054 17.514 19.000 -0.720 0.000 0.805 144 A HN 0.322 nan 8.150 nan 0.000 0.460 145 F N 0.151 120.020 119.950 -0.135 0.000 2.009 145 F HA -0.119 4.402 4.527 -0.011 0.000 0.293 145 F C 2.000 177.680 175.800 -0.200 0.000 1.156 145 F CA 1.625 59.509 58.000 -0.192 0.000 1.168 145 F CB -0.805 38.024 39.000 -0.286 0.000 0.981 145 F HN 0.287 nan 8.300 nan 0.000 0.475 146 Y N 0.176 120.298 120.300 -0.298 0.000 2.483 146 Y HA -0.114 4.429 4.550 -0.012 0.000 0.291 146 Y C 2.033 177.709 175.900 -0.372 0.000 1.143 146 Y CA 0.785 58.576 58.100 -0.514 0.000 1.289 146 Y CB -1.246 37.025 38.460 -0.315 0.000 0.983 146 Y HN 0.226 nan 8.280 nan 0.000 0.556 147 L N 0.062 121.239 121.223 -0.077 0.000 1.960 147 L HA 0.065 4.398 4.340 -0.011 0.000 0.209 147 L C 2.605 179.433 176.870 -0.071 0.000 1.090 147 L CA 2.010 56.846 54.840 -0.007 0.000 0.759 147 L CB -1.353 40.841 42.059 0.224 0.000 0.892 147 L HN 0.223 nan 8.230 nan 0.000 0.436 148 G N -0.475 108.277 108.800 -0.080 0.000 2.853 148 G HA2 -0.479 3.474 3.960 -0.011 0.000 0.234 148 G HA3 -0.479 3.474 3.960 -0.011 0.000 0.234 148 G C 1.566 176.402 174.900 -0.107 0.000 1.198 148 G CA 2.366 47.416 45.100 -0.083 0.000 0.767 148 G HN 0.824 nan 8.290 nan 0.000 0.657 149 A N -0.086 122.540 122.820 -0.324 0.000 1.859 149 A HA -0.149 4.164 4.320 -0.011 0.000 0.218 149 A C 2.692 180.173 177.584 -0.173 0.000 1.209 149 A CA 3.242 55.064 52.037 -0.358 0.000 0.639 149 A CB -1.209 17.298 19.000 -0.821 0.000 0.835 149 A HN 0.895 nan 8.150 nan 0.000 0.450 150 S N -1.359 114.204 115.700 -0.229 0.000 2.547 150 S HA -0.005 4.458 4.470 -0.011 0.000 0.235 150 S C 1.565 176.119 174.600 -0.077 0.000 0.980 150 S CA 1.095 59.206 58.200 -0.147 0.000 0.941 150 S CB -0.509 62.599 63.200 -0.153 0.000 0.763 150 S HN 0.283 nan 8.310 nan 0.000 0.532 151 V N 0.438 120.343 119.914 -0.015 0.000 2.341 151 V HA 0.059 4.173 4.120 -0.011 0.000 0.240 151 V C 1.709 177.838 176.094 0.058 0.000 1.035 151 V CA 1.466 63.785 62.300 0.032 0.000 1.033 151 V CB -0.926 30.939 31.823 0.071 0.000 0.678 151 V HN 0.592 nan 8.190 nan 0.000 0.464 152 F N 1.110 121.028 119.950 -0.053 0.000 2.032 152 F HA -0.328 4.192 4.527 -0.011 0.000 0.297 152 F C 2.334 178.142 175.800 0.014 0.000 1.125 152 F CA 2.641 60.626 58.000 -0.026 0.000 1.202 152 F CB -0.432 38.531 39.000 -0.062 0.000 0.958 152 F HN -0.041 nan 8.300 nan 0.000 0.491 153 V N 0.951 121.059 119.914 0.322 0.000 2.277 153 V HA -0.389 3.724 4.120 -0.011 0.000 0.253 153 V C 2.443 178.540 176.094 0.005 0.000 1.067 153 V CA 2.298 64.706 62.300 0.180 0.000 1.047 153 V CB -0.943 30.917 31.823 0.061 0.000 0.649 153 V HN 0.445 nan 8.190 nan 0.000 0.447 154 L N -0.055 121.094 121.223 -0.124 0.000 2.081 154 L HA -0.233 4.101 4.340 -0.011 0.000 0.212 154 L C 2.732 179.634 176.870 0.053 0.000 1.080 154 L CA 1.708 56.425 54.840 -0.204 0.000 0.754 154 L CB -0.794 41.159 42.059 -0.176 0.000 0.893 154 L HN 0.451 nan 8.230 nan 0.000 0.433 155 S N -0.009 115.733 115.700 0.070 0.000 2.406 155 S HA -0.342 4.121 4.470 -0.011 0.000 0.242 155 S C 2.107 176.841 174.600 0.223 0.000 1.079 155 S CA 2.715 60.987 58.200 0.120 0.000 1.133 155 S CB -0.519 62.676 63.200 -0.009 0.000 1.005 155 S HN 0.698 nan 8.310 nan 0.000 0.443 156 T N -1.991 112.739 114.554 0.293 0.000 2.778 156 T HA -0.185 4.158 4.350 -0.011 0.000 0.269 156 T C 1.476 176.461 174.700 0.474 0.000 1.050 156 T CA 1.541 63.924 62.100 0.472 0.000 1.137 156 T CB -0.793 68.638 68.868 0.938 0.000 0.860 156 T HN 0.547 nan 8.240 nan 0.000 0.468 157 W N 1.625 123.081 121.300 0.261 0.000 2.335 157 W HA -0.050 4.603 4.660 -0.011 0.000 0.311 157 W C 2.581 179.191 176.519 0.152 0.000 1.213 157 W CA -0.077 57.412 57.345 0.240 0.000 1.274 157 W CB -1.322 28.273 29.460 0.225 0.000 1.148 157 W HN 0.120 nan 8.180 nan 0.000 0.498 158 V N 0.318 120.435 119.914 0.337 0.000 2.214 158 V HA -0.405 3.708 4.120 -0.011 0.000 0.247 158 V C 2.376 178.529 176.094 0.099 0.000 1.051 158 V CA 2.544 64.952 62.300 0.179 0.000 1.003 158 V CB -1.664 30.251 31.823 0.154 0.000 0.635 158 V HN 0.095 nan 8.190 nan 0.000 0.447 159 S N 0.085 115.798 115.700 0.021 0.000 2.425 159 S HA -0.332 4.131 4.470 -0.011 0.000 0.256 159 S C 1.739 176.041 174.600 -0.496 0.000 1.101 159 S CA 2.560 60.607 58.200 -0.255 0.000 1.188 159 S CB -0.730 62.243 63.200 -0.378 0.000 1.085 159 S HN 0.522 nan 8.310 nan 0.000 0.439 160 I N 0.056 120.373 120.570 -0.420 0.000 2.091 160 I HA -0.313 3.851 4.170 -0.011 0.000 0.240 160 I C 2.135 178.216 176.117 -0.059 0.000 1.046 160 I CA 2.093 63.271 61.300 -0.203 0.000 1.306 160 I CB -0.774 37.338 38.000 0.187 0.000 1.018 160 I HN 0.283 nan 8.210 nan 0.000 0.404 161 Y N 1.846 122.088 120.300 -0.097 0.000 1.857 161 Y HA -0.380 4.164 4.550 -0.011 0.000 0.218 161 Y C 2.484 178.363 175.900 -0.035 0.000 1.057 161 Y CA 1.928 59.994 58.100 -0.057 0.000 1.006 161 Y CB -0.969 37.476 38.460 -0.025 0.000 0.886 161 Y HN 0.020 nan 8.280 nan 0.000 0.527 162 I N -0.860 120.010 120.570 0.501 0.000 2.247 162 I HA -0.491 3.672 4.170 -0.011 0.000 0.249 162 I C 2.156 178.360 176.117 0.145 0.000 1.027 162 I CA 2.035 63.504 61.300 0.282 0.000 1.316 162 I CB -0.946 37.134 38.000 0.134 0.000 1.007 162 I HN 0.262 nan 8.210 nan 0.000 0.430 163 V N -0.096 119.839 119.914 0.035 0.000 2.331 163 V HA -0.154 3.959 4.120 -0.011 0.000 0.242 163 V C 2.237 178.421 176.094 0.150 0.000 1.034 163 V CA 1.248 63.599 62.300 0.086 0.000 1.027 163 V CB -0.408 31.451 31.823 0.059 0.000 0.667 163 V HN 0.346 nan 8.190 nan 0.000 0.457 164 L N 0.508 121.786 121.223 0.092 0.000 2.089 164 L HA -0.277 4.056 4.340 -0.011 0.000 0.213 164 L C 2.514 179.435 176.870 0.086 0.000 1.079 164 L CA 2.293 57.207 54.840 0.123 0.000 0.758 164 L CB -0.681 41.368 42.059 -0.017 0.000 0.891 164 L HN 0.588 nan 8.230 nan 0.000 0.433 165 D N 0.343 120.719 120.400 -0.040 0.000 2.088 165 D HA -0.226 4.407 4.640 -0.011 0.000 0.191 165 D C 2.287 178.639 176.300 0.086 0.000 0.992 165 D CA 1.504 55.475 54.000 -0.050 0.000 0.831 165 D CB 0.027 40.855 40.800 0.045 0.000 0.973 165 D HN 0.275 nan 8.370 nan 0.000 0.447 166 L N -0.416 120.901 121.223 0.158 0.000 2.042 166 L HA -0.184 4.149 4.340 -0.011 0.000 0.210 166 L C 2.590 179.613 176.870 0.255 0.000 1.076 166 L CA 1.186 56.142 54.840 0.194 0.000 0.749 166 L CB -0.889 41.285 42.059 0.192 0.000 0.893 166 L HN 0.327 nan 8.230 nan 0.000 0.432 167 W N 1.945 123.294 121.300 0.081 0.000 2.331 167 W HA -0.270 4.383 4.660 -0.011 0.000 0.291 167 W C 2.757 179.357 176.519 0.136 0.000 1.214 167 W CA 2.172 59.575 57.345 0.097 0.000 1.228 167 W CB -0.147 29.349 29.460 0.060 0.000 1.135 167 W HN 0.117 nan 8.180 nan 0.000 0.537 168 R N -0.121 120.290 120.500 -0.149 0.000 2.225 168 R HA 0.148 4.481 4.340 -0.011 0.000 0.194 168 R C 2.110 178.306 176.300 -0.174 0.000 0.957 168 R CA 0.821 56.706 56.100 -0.358 0.000 1.042 168 R CB -0.647 29.469 30.300 -0.307 0.000 1.004 168 R HN 0.017 nan 8.270 nan 0.000 0.509 169 R N -0.799 119.677 120.500 -0.040 0.000 2.096 169 R HA -0.144 4.189 4.340 -0.011 0.000 0.235 169 R C 1.614 177.927 176.300 0.021 0.000 1.127 169 R CA 1.832 57.932 56.100 0.000 0.000 0.968 169 R CB -0.452 29.885 30.300 0.062 0.000 0.861 169 R HN 0.325 nan 8.270 nan 0.000 0.440 170 W N 1.907 123.160 121.300 -0.078 0.000 2.444 170 W HA -0.087 4.567 4.660 -0.011 0.000 0.308 170 W C 2.084 178.534 176.519 -0.114 0.000 1.183 170 W CA 0.785 58.100 57.345 -0.050 0.000 1.340 170 W CB 0.067 29.549 29.460 0.036 0.000 1.138 170 W HN -0.213 nan 8.180 nan 0.000 0.510 171 K N 0.634 121.127 120.400 0.155 0.000 2.097 171 K HA -0.259 4.055 4.320 -0.011 0.000 0.214 171 K C 1.952 178.426 176.600 -0.209 0.000 1.052 171 K CA 2.285 58.525 56.287 -0.078 0.000 0.932 171 K CB -1.289 30.922 32.500 -0.482 0.000 0.716 171 K HN 0.302 nan 8.250 nan 0.000 0.455 172 A N -0.359 122.328 122.820 -0.221 0.000 1.984 172 A HA 0.178 4.491 4.320 -0.011 0.000 0.214 172 A C 2.011 179.456 177.584 -0.230 0.000 1.173 172 A CA 1.249 53.166 52.037 -0.201 0.000 0.673 172 A CB -0.225 18.680 19.000 -0.159 0.000 0.830 172 A HN 0.260 nan 8.150 nan 0.000 0.453 173 A N -0.632 122.017 122.820 -0.284 0.000 2.235 173 A HA 0.122 4.436 4.320 -0.011 0.000 0.208 173 A C 0.818 178.120 177.584 -0.469 0.000 1.172 173 A CA 0.434 52.285 52.037 -0.310 0.000 0.786 173 A CB -0.310 18.539 19.000 -0.252 0.000 0.804 173 A HN 0.479 nan 8.150 nan 0.000 0.479 174 N N 0.272 118.609 118.700 -0.605 0.000 2.595 174 N HA 0.128 4.861 4.740 -0.011 0.000 0.291 174 N C -3.140 172.125 175.510 -0.408 0.000 1.706 174 N CA -0.622 52.019 53.050 -0.681 0.000 0.867 174 N CB 1.138 38.730 38.487 -1.492 0.000 1.414 174 N HN 0.204 nan 8.380 nan 0.000 0.492 175 P HA 0.054 nan 4.420 nan 0.000 0.262 175 P C 1.019 178.267 177.300 -0.087 0.000 1.199 175 P CA 1.230 64.240 63.100 -0.151 0.000 0.763 175 P CB 0.705 32.332 31.700 -0.122 0.000 0.790 176 G N 3.245 112.025 108.800 -0.033 0.000 2.258 176 G HA2 -0.235 3.719 3.960 -0.011 0.000 0.233 176 G HA3 -0.235 3.719 3.960 -0.011 0.000 0.233 176 G C 0.117 175.044 174.900 0.044 0.000 1.006 176 G CA -0.271 44.834 45.100 0.008 0.000 0.620 176 G HN 0.553 nan 8.290 nan 0.000 0.511 177 K N 1.708 122.136 120.400 0.047 0.000 2.383 177 K HA 0.475 4.788 4.320 -0.011 0.000 0.286 177 K C 1.296 178.057 176.600 0.269 0.000 1.051 177 K CA -0.228 56.144 56.287 0.142 0.000 0.974 177 K CB 1.588 34.180 32.500 0.153 0.000 0.968 177 K HN 0.212 nan 8.250 nan 0.000 0.475 178 V N 2.558 122.596 119.914 0.206 0.000 3.629 178 V HA -0.201 3.912 4.120 -0.011 0.000 0.280 178 V C 0.784 177.055 176.094 0.296 0.000 1.307 178 V CA 0.613 63.031 62.300 0.196 0.000 1.393 178 V CB -0.161 31.707 31.823 0.076 0.000 1.090 178 V HN 0.789 nan 8.190 nan 0.000 0.513 179 T N 3.535 118.218 114.554 0.214 0.000 2.897 179 T HA 0.310 4.653 4.350 -0.011 0.000 0.294 179 T C -2.159 172.459 174.700 -0.137 0.000 1.004 179 T CA -0.683 61.482 62.100 0.108 0.000 1.106 179 T CB 0.996 70.028 68.868 0.273 0.000 0.949 179 T HN 0.601 nan 8.240 nan 0.000 0.520 180 P HA 0.008 nan 4.420 nan 0.000 0.269 180 P C 0.977 178.137 177.300 -0.234 0.000 1.205 180 P CA -0.390 62.512 63.100 -0.331 0.000 0.780 180 P CB 0.424 31.831 31.700 -0.488 0.000 0.858 181 L N 3.718 124.795 121.223 -0.243 0.000 1.955 181 L HA -0.186 4.147 4.340 -0.011 0.000 0.213 181 L C 2.136 178.860 176.870 -0.243 0.000 1.072 181 L CA 2.003 56.708 54.840 -0.225 0.000 0.755 181 L CB -1.182 40.725 42.059 -0.254 0.000 0.888 181 L HN 0.152 nan 8.230 nan 0.000 0.432 182 V N -0.592 119.115 119.914 -0.345 0.000 2.392 182 V HA -0.324 3.790 4.120 -0.011 0.000 0.249 182 V C 2.491 178.428 176.094 -0.263 0.000 1.059 182 V CA 2.251 64.354 62.300 -0.327 0.000 1.051 182 V CB -0.776 30.833 31.823 -0.357 0.000 0.658 182 V HN 0.624 nan 8.190 nan 0.000 0.455 183 T N -1.164 113.255 114.554 -0.225 0.000 2.746 183 T HA -0.234 4.109 4.350 -0.011 0.000 0.267 183 T C 1.738 176.315 174.700 -0.206 0.000 1.039 183 T CA 1.951 63.949 62.100 -0.170 0.000 1.142 183 T CB -0.382 68.391 68.868 -0.158 0.000 0.866 183 T HN 0.584 nan 8.240 nan 0.000 0.444 184 Y N 1.573 121.684 120.300 -0.315 0.000 2.207 184 Y HA -0.155 4.389 4.550 -0.011 0.000 0.287 184 Y C 2.154 177.851 175.900 -0.339 0.000 1.156 184 Y CA 1.118 59.028 58.100 -0.318 0.000 1.182 184 Y CB -0.496 37.807 38.460 -0.262 0.000 0.979 184 Y HN 0.168 nan 8.280 nan 0.000 0.521 185 M N -0.147 119.125 119.600 -0.547 0.000 2.200 185 M HA -0.263 4.210 4.480 -0.011 0.000 0.261 185 M C 2.480 178.479 176.300 -0.500 0.000 1.074 185 M CA 2.189 56.949 55.300 -0.900 0.000 1.098 185 M CB -0.868 31.004 32.600 -1.213 0.000 1.268 185 M HN 0.305 nan 8.290 nan 0.000 0.432 186 A N -0.407 122.195 122.820 -0.363 0.000 2.131 186 A HA -0.069 4.244 4.320 -0.011 0.000 0.220 186 A C 2.142 179.776 177.584 0.083 0.000 1.158 186 A CA 1.413 53.344 52.037 -0.175 0.000 0.665 186 A CB -0.949 18.016 19.000 -0.057 0.000 0.795 186 A HN 0.354 nan 8.150 nan 0.000 0.460 187 V N -0.167 119.678 119.914 -0.116 0.000 2.256 187 V HA -0.188 3.925 4.120 -0.011 0.000 0.240 187 V C 2.676 178.741 176.094 -0.049 0.000 1.036 187 V CA 1.853 64.074 62.300 -0.133 0.000 1.008 187 V CB -0.899 30.584 31.823 -0.568 0.000 0.648 187 V HN 0.539 nan 8.190 nan 0.000 0.453 188 V N -1.340 118.437 119.914 -0.229 0.000 2.594 188 V HA -0.266 3.848 4.120 -0.011 0.000 0.253 188 V C 2.245 178.437 176.094 0.164 0.000 1.069 188 V CA 2.229 64.494 62.300 -0.059 0.000 1.082 188 V CB -1.348 30.357 31.823 -0.196 0.000 0.680 188 V HN 0.479 nan 8.190 nan 0.000 0.469 189 F N 0.697 120.651 119.950 0.006 0.000 2.051 189 F HA -0.111 4.409 4.527 -0.011 0.000 0.296 189 F C 2.117 177.929 175.800 0.019 0.000 1.122 189 F CA 2.001 59.998 58.000 -0.005 0.000 1.201 189 F CB -0.471 38.429 39.000 -0.168 0.000 0.978 189 F HN 0.163 nan 8.300 nan 0.000 0.472 190 W N 0.747 122.345 121.300 0.496 0.000 2.335 190 W HA -0.182 4.472 4.660 -0.011 0.000 0.311 190 W C 2.381 179.106 176.519 0.344 0.000 1.213 190 W CA 0.954 58.545 57.345 0.410 0.000 1.274 190 W CB -0.544 29.145 29.460 0.382 0.000 1.148 190 W HN 0.038 nan 8.180 nan 0.000 0.498 191 L N 0.100 121.626 121.223 0.504 0.000 2.187 191 L HA -0.250 4.083 4.340 -0.011 0.000 0.213 191 L C 2.474 179.695 176.870 0.585 0.000 1.100 191 L CA 0.811 55.936 54.840 0.475 0.000 0.765 191 L CB -0.759 41.450 42.059 0.251 0.000 0.904 191 L HN 0.191 nan 8.230 nan 0.000 0.437 192 M N -0.837 119.003 119.600 0.401 0.000 2.254 192 M HA -0.243 4.230 4.480 -0.011 0.000 0.265 192 M C 2.068 178.605 176.300 0.396 0.000 1.066 192 M CA 1.647 57.128 55.300 0.303 0.000 1.123 192 M CB -0.693 32.008 32.600 0.168 0.000 1.388 192 M HN 0.431 nan 8.290 nan 0.000 0.425 193 W N 0.029 121.474 121.300 0.241 0.000 2.476 193 W HA -0.235 4.418 4.660 -0.012 0.000 0.281 193 W C 1.786 178.571 176.519 0.444 0.000 1.230 193 W CA 0.450 57.980 57.345 0.309 0.000 1.287 193 W CB -0.447 29.282 29.460 0.448 0.000 1.108 193 W HN 0.189 nan 8.180 nan 0.000 0.567 194 F N 1.280 121.415 119.950 0.307 0.000 2.014 194 F HA -0.292 4.228 4.527 -0.011 0.000 0.295 194 F C 2.435 178.320 175.800 0.142 0.000 1.145 194 F CA 1.988 60.096 58.000 0.181 0.000 1.178 194 F CB -1.057 38.063 39.000 0.200 0.000 0.972 194 F HN -0.221 nan 8.300 nan 0.000 0.476 195 L N 0.594 122.077 121.223 0.432 0.000 2.137 195 L HA -0.219 4.114 4.340 -0.011 0.000 0.213 195 L C 2.246 179.262 176.870 0.243 0.000 1.085 195 L CA 1.880 56.879 54.840 0.265 0.000 0.760 195 L CB -1.536 40.594 42.059 0.119 0.000 0.893 195 L HN 0.301 nan 8.230 nan 0.000 0.434 196 A N -0.970 121.964 122.820 0.190 0.000 1.822 196 A HA -0.218 4.095 4.320 -0.011 0.000 0.214 196 A C 2.404 179.996 177.584 0.013 0.000 1.245 196 A CA 2.529 54.696 52.037 0.216 0.000 0.608 196 A CB -1.522 17.635 19.000 0.262 0.000 0.896 196 A HN 0.605 nan 8.150 nan 0.000 0.457 197 S N 0.451 115.769 115.700 -0.637 0.000 2.414 197 S HA -0.311 4.152 4.470 -0.011 0.000 0.241 197 S C 1.824 176.077 174.600 -0.580 0.000 1.079 197 S CA 1.857 59.498 58.200 -0.931 0.000 1.087 197 S CB -1.307 60.969 63.200 -1.541 0.000 0.927 197 S HN 0.477 nan 8.310 nan 0.000 0.456 198 L N 1.536 122.495 121.223 -0.441 0.000 2.167 198 L HA -0.347 3.986 4.340 -0.011 0.000 0.241 198 L C 2.896 179.284 176.870 -0.804 0.000 1.123 198 L CA 2.084 56.648 54.840 -0.461 0.000 0.849 198 L CB -2.210 39.731 42.059 -0.196 0.000 0.947 198 L HN 0.633 nan 8.230 nan 0.000 0.449 199 G N 0.102 107.987 108.800 -1.524 0.000 2.833 199 G HA2 -0.401 3.552 3.960 -0.011 0.000 0.226 199 G HA3 -0.401 3.552 3.960 -0.011 0.000 0.226 199 G C 1.393 175.938 174.900 -0.592 0.000 1.228 199 G CA 1.629 45.912 45.100 -1.360 0.000 0.779 199 G HN 0.394 nan 8.290 nan 0.000 0.651 200 L N 0.672 121.635 121.223 -0.434 0.000 2.291 200 L HA 0.077 4.411 4.340 -0.011 0.000 0.214 200 L C 2.756 179.493 176.870 -0.222 0.000 1.120 200 L CA 1.230 55.925 54.840 -0.242 0.000 0.799 200 L CB 0.095 42.010 42.059 -0.239 0.000 0.925 200 L HN 0.151 nan 8.230 nan 0.000 0.446 201 V N -1.202 118.506 119.914 -0.343 0.000 2.331 201 V HA -0.211 3.902 4.120 -0.011 0.000 0.242 201 V C 2.417 178.379 176.094 -0.220 0.000 1.034 201 V CA 1.316 63.420 62.300 -0.326 0.000 1.027 201 V CB -0.684 30.854 31.823 -0.475 0.000 0.667 201 V HN 0.313 nan 8.190 nan 0.000 0.457 202 L N 0.349 121.420 121.223 -0.254 0.000 2.012 202 L HA -0.353 3.980 4.340 -0.011 0.000 0.236 202 L C 2.743 179.582 176.870 -0.052 0.000 1.099 202 L CA 2.735 57.465 54.840 -0.184 0.000 0.821 202 L CB -0.763 41.124 42.059 -0.286 0.000 0.918 202 L HN 0.492 nan 8.230 nan 0.000 0.445 203 E N -0.527 119.689 120.200 0.027 0.000 2.396 203 E HA -0.202 4.141 4.350 -0.011 0.000 0.200 203 E C 1.757 178.458 176.600 0.167 0.000 1.023 203 E CA 0.976 57.517 56.400 0.235 0.000 0.857 203 E CB 0.220 30.047 29.700 0.210 0.000 0.775 203 E HN 0.537 nan 8.360 nan 0.000 0.525 204 A N 0.242 123.079 122.820 0.027 0.000 1.859 204 A HA 0.016 4.329 4.320 -0.011 0.000 0.212 204 A C 2.246 179.807 177.584 -0.038 0.000 1.238 204 A CA 0.576 52.608 52.037 -0.009 0.000 0.613 204 A CB -0.818 18.138 19.000 -0.074 0.000 0.904 204 A HN 0.140 nan 8.150 nan 0.000 0.457 205 V N 0.771 120.641 119.914 -0.073 0.000 2.244 205 V HA -0.317 3.796 4.120 -0.011 0.000 0.248 205 V C 2.311 178.333 176.094 -0.119 0.000 1.038 205 V CA 2.422 64.676 62.300 -0.078 0.000 1.026 205 V CB -0.755 31.023 31.823 -0.075 0.000 0.660 205 V HN 0.577 nan 8.190 nan 0.000 0.472 206 L N -1.489 119.610 121.223 -0.206 0.000 2.700 206 L HA -0.047 4.286 4.340 -0.011 0.000 0.240 206 L C 1.194 177.603 176.870 -0.769 0.000 1.162 206 L CA 0.838 55.397 54.840 -0.469 0.000 0.874 206 L CB -0.477 41.219 42.059 -0.605 0.000 1.001 206 L HN 0.403 nan 8.230 nan 0.000 0.447 207 F N -3.054 116.912 119.950 0.027 0.000 1.759 207 F HA 0.071 4.591 4.527 -0.010 0.000 0.239 207 F C 1.598 177.422 175.800 0.040 0.000 1.234 207 F CA -0.439 57.577 58.000 0.027 0.000 1.313 207 F CB -0.301 38.701 39.000 0.003 0.000 1.912 207 F HN -0.324 nan 8.300 nan 0.000 0.254 208 L N 0.549 121.898 121.223 0.209 0.000 2.042 208 L HA -0.195 4.138 4.340 -0.011 0.000 0.210 208 L C 2.167 178.977 176.870 -0.101 0.000 1.076 208 L CA 1.496 56.357 54.840 0.036 0.000 0.749 208 L CB -0.717 41.328 42.059 -0.023 0.000 0.893 208 L HN 0.211 nan 8.230 nan 0.000 0.432 209 L N -0.505 120.662 121.223 -0.094 0.000 1.961 209 L HA -0.120 4.214 4.340 -0.011 0.000 0.210 209 L C -0.071 176.698 176.870 -0.168 0.000 1.072 209 L CA 1.415 56.120 54.840 -0.226 0.000 0.749 209 L CB -1.934 40.036 42.059 -0.148 0.000 0.889 209 L HN 0.181 nan 8.230 nan 0.000 0.432 210 P HA -0.281 nan 4.420 nan 0.000 0.213 210 P C 1.259 178.654 177.300 0.158 0.000 1.176 210 P CA 1.882 65.066 63.100 0.138 0.000 0.919 210 P CB -0.424 31.346 31.700 0.117 0.000 0.791 211 W N 0.969 122.263 121.300 -0.010 0.000 2.480 211 W HA -0.088 4.565 4.660 -0.011 0.000 0.257 211 W C 2.318 178.788 176.519 -0.083 0.000 1.235 211 W CA 1.776 59.110 57.345 -0.018 0.000 1.218 211 W CB -0.611 28.852 29.460 0.005 0.000 1.131 211 W HN -0.032 nan 8.180 nan 0.000 0.606 212 S N -1.048 114.485 115.700 -0.278 0.000 2.501 212 S HA 0.031 4.494 4.470 -0.011 0.000 0.220 212 S C 1.317 175.803 174.600 -0.190 0.000 0.997 212 S CA 0.403 58.308 58.200 -0.491 0.000 0.919 212 S CB -0.665 62.213 63.200 -0.537 0.000 0.778 212 S HN 0.353 nan 8.310 nan 0.000 0.523 213 F N 0.974 120.844 119.950 -0.135 0.000 2.641 213 F HA 0.310 4.830 4.527 -0.011 0.000 0.302 213 F C 1.791 177.507 175.800 -0.139 0.000 1.098 213 F CA -0.158 57.768 58.000 -0.123 0.000 1.318 213 F CB 0.616 39.559 39.000 -0.096 0.000 1.035 213 F HN 0.451 nan 8.300 nan 0.000 0.551 214 G N 0.357 109.169 108.800 0.019 0.000 2.184 214 G HA2 -0.299 3.654 3.960 -0.011 0.000 0.264 214 G HA3 -0.299 3.654 3.960 -0.011 0.000 0.264 214 G C 0.802 175.711 174.900 0.016 0.000 0.975 214 G CA 0.103 45.187 45.100 -0.027 0.000 0.642 214 G HN 0.228 nan 8.290 nan 0.000 0.536 215 L N 0.275 121.538 121.223 0.068 0.000 2.610 215 L HA 0.383 4.716 4.340 -0.011 0.000 0.232 215 L C 1.180 178.112 176.870 0.103 0.000 1.149 215 L CA 1.117 56.004 54.840 0.077 0.000 0.872 215 L CB -0.785 41.332 42.059 0.097 0.000 0.992 215 L HN 0.503 nan 8.230 nan 0.000 0.447 216 V N -3.908 116.094 119.914 0.147 0.000 3.258 216 V HA 0.375 4.488 4.120 -0.011 0.000 0.299 216 V C 0.460 176.696 176.094 0.237 0.000 1.376 216 V CA -0.942 61.468 62.300 0.184 0.000 1.063 216 V CB 2.016 33.975 31.823 0.227 0.000 1.103 216 V HN -0.162 nan 8.190 nan 0.000 0.451 217 E N 0.850 121.180 120.200 0.217 0.000 2.474 217 E HA 0.391 4.734 4.350 -0.011 0.000 0.195 217 E C 0.533 177.355 176.600 0.370 0.000 1.039 217 E CA 0.881 57.413 56.400 0.220 0.000 0.881 217 E CB 1.271 31.033 29.700 0.103 0.000 0.970 217 E HN 1.009 nan 8.360 nan 0.000 0.486 218 G N 0.113 109.159 108.800 0.409 0.000 2.732 218 G HA2 0.432 4.385 3.960 -0.011 0.000 0.296 218 G HA3 0.432 4.385 3.960 -0.011 0.000 0.296 218 G C -1.109 173.579 174.900 -0.354 0.000 1.448 218 G CA -0.597 44.575 45.100 0.120 0.000 0.911 218 G HN -0.062 nan 8.290 nan 0.000 0.528 219 V N 0.928 120.380 119.914 -0.770 0.000 2.483 219 V HA 0.470 4.583 4.120 -0.011 0.000 0.295 219 V C -0.210 175.636 176.094 -0.415 0.000 1.035 219 V CA -1.059 60.821 62.300 -0.701 0.000 0.896 219 V CB 1.702 32.892 31.823 -1.055 0.000 0.986 219 V HN 0.781 nan 8.190 nan 0.000 0.447 220 D N 5.903 126.078 120.400 -0.374 0.000 2.389 220 D HA 0.218 4.851 4.640 -0.011 0.000 0.247 220 D C -1.757 174.338 176.300 -0.342 0.000 1.128 220 D CA -1.729 52.095 54.000 -0.293 0.000 0.884 220 D CB 2.173 42.812 40.800 -0.269 0.000 1.194 220 D HN 0.309 nan 8.370 nan 0.000 0.441 221 P HA 0.011 nan 4.420 nan 0.000 0.244 221 P C 1.643 178.842 177.300 -0.168 0.000 1.191 221 P CA -0.272 62.711 63.100 -0.196 0.000 0.829 221 P CB 0.440 32.062 31.700 -0.131 0.000 1.008 222 L N 1.569 122.701 121.223 -0.153 0.000 1.990 222 L HA -0.157 4.176 4.340 -0.011 0.000 0.213 222 L C 2.377 179.162 176.870 -0.142 0.000 1.072 222 L CA 2.244 57.010 54.840 -0.124 0.000 0.755 222 L CB -1.509 40.480 42.059 -0.116 0.000 0.889 222 L HN -0.052 nan 8.230 nan 0.000 0.432 223 V N -2.611 117.156 119.914 -0.246 0.000 2.453 223 V HA -0.023 4.090 4.120 -0.011 0.000 0.247 223 V C 2.469 178.395 176.094 -0.280 0.000 1.048 223 V CA 1.304 63.416 62.300 -0.313 0.000 1.049 223 V CB -1.654 29.842 31.823 -0.546 0.000 0.672 223 V HN 0.412 nan 8.190 nan 0.000 0.457 224 A N 1.540 124.139 122.820 -0.369 0.000 2.076 224 A HA -0.195 4.119 4.320 -0.011 0.000 0.220 224 A C 2.469 180.062 177.584 0.014 0.000 1.160 224 A CA 2.209 54.112 52.037 -0.222 0.000 0.653 224 A CB -0.566 18.268 19.000 -0.278 0.000 0.801 224 A HN 0.837 nan 8.150 nan 0.000 0.455 225 R N -2.206 118.312 120.500 0.029 0.000 2.373 225 R HA 0.113 4.446 4.340 -0.011 0.000 0.221 225 R C 1.161 177.630 176.300 0.282 0.000 0.893 225 R CA 0.990 57.207 56.100 0.194 0.000 1.049 225 R CB -0.427 29.966 30.300 0.155 0.000 1.119 225 R HN 0.221 nan 8.270 nan 0.000 0.535 226 T N 1.751 116.393 114.554 0.147 0.000 2.770 226 T HA 0.056 4.399 4.350 -0.011 0.000 0.263 226 T C 1.786 176.586 174.700 0.166 0.000 1.039 226 T CA 0.986 63.221 62.100 0.224 0.000 1.142 226 T CB -0.070 68.891 68.868 0.155 0.000 0.868 226 T HN 0.095 nan 8.240 nan 0.000 0.435 227 L N 0.268 121.509 121.223 0.030 0.000 2.191 227 L HA -0.020 4.313 4.340 -0.011 0.000 0.212 227 L C 2.233 179.095 176.870 -0.014 0.000 1.103 227 L CA 1.293 56.099 54.840 -0.056 0.000 0.769 227 L CB -0.511 41.506 42.059 -0.069 0.000 0.908 227 L HN 0.272 nan 8.230 nan 0.000 0.438 228 F N -0.808 119.084 119.950 -0.097 0.000 2.325 228 F HA -0.163 4.358 4.527 -0.011 0.000 0.299 228 F C 1.852 177.429 175.800 -0.371 0.000 1.090 228 F CA 0.968 58.811 58.000 -0.262 0.000 1.392 228 F CB -0.125 38.642 39.000 -0.388 0.000 1.053 228 F HN -0.032 nan 8.300 nan 0.000 0.521 229 W N -0.400 121.005 121.300 0.175 0.000 2.518 229 W HA -0.078 4.576 4.660 -0.011 0.000 0.273 229 W C 2.237 178.793 176.519 0.061 0.000 1.247 229 W CA 0.586 57.952 57.345 0.034 0.000 1.288 229 W CB -0.812 28.729 29.460 0.135 0.000 1.107 229 W HN 0.229 nan 8.180 nan 0.000 0.586 230 W N 1.436 122.759 121.300 0.038 0.000 2.290 230 W HA -0.295 4.358 4.660 -0.012 0.000 0.328 230 W C 1.774 178.263 176.519 -0.051 0.000 1.272 230 W CA 2.781 60.112 57.345 -0.023 0.000 1.262 230 W CB -1.322 27.897 29.460 -0.401 0.000 1.151 230 W HN -0.250 nan 8.180 nan 0.000 0.473 231 T N 0.459 115.079 114.554 0.111 0.000 2.777 231 T HA -0.075 4.268 4.350 -0.011 0.000 0.266 231 T C 1.924 176.545 174.700 -0.131 0.000 1.040 231 T CA 2.263 64.334 62.100 -0.048 0.000 1.141 231 T CB -1.014 67.675 68.868 -0.299 0.000 0.868 231 T HN 0.328 nan 8.240 nan 0.000 0.444 232 G N 0.026 108.578 108.800 -0.414 0.000 2.469 232 G HA2 -0.292 3.661 3.960 -0.011 0.000 0.219 232 G HA3 -0.292 3.661 3.960 -0.011 0.000 0.219 232 G C 1.178 176.054 174.900 -0.040 0.000 1.150 232 G CA 1.474 46.210 45.100 -0.606 0.000 0.763 232 G HN 0.570 nan 8.290 nan 0.000 0.561 233 H N 1.490 120.637 119.070 0.127 0.000 2.435 233 H HA 0.026 4.575 4.556 -0.011 0.000 0.309 233 H C 0.208 175.629 175.328 0.154 0.000 1.041 233 H CA 1.817 57.989 56.048 0.206 0.000 1.277 233 H CB -0.544 29.409 29.762 0.317 0.000 1.455 233 H HN 0.084 nan 8.280 nan 0.000 0.581 234 P HA -0.328 nan 4.420 nan 0.000 0.232 234 P C 1.812 179.216 177.300 0.173 0.000 1.135 234 P CA 2.296 65.637 63.100 0.401 0.000 0.969 234 P CB -0.327 31.577 31.700 0.339 0.000 0.777 235 I N -0.383 120.202 120.570 0.025 0.000 2.130 235 I HA -0.336 3.827 4.170 -0.011 0.000 0.241 235 I C 2.257 177.942 176.117 -0.721 0.000 1.023 235 I CA 2.526 63.608 61.300 -0.363 0.000 1.293 235 I CB -0.537 37.228 38.000 -0.391 0.000 1.001 235 I HN -0.111 nan 8.210 nan 0.000 0.407 236 V N -0.820 118.429 119.914 -1.109 0.000 2.282 236 V HA -0.354 3.759 4.120 -0.011 0.000 0.249 236 V C 2.330 178.046 176.094 -0.629 0.000 1.057 236 V CA 2.024 63.563 62.300 -1.269 0.000 1.032 236 V CB -1.929 29.191 31.823 -1.172 0.000 0.645 236 V HN 0.512 nan 8.190 nan 0.000 0.447 237 Y N 0.222 120.291 120.300 -0.385 0.000 2.151 237 Y HA -0.162 4.382 4.550 -0.012 0.000 0.284 237 Y C 2.368 178.099 175.900 -0.280 0.000 1.166 237 Y CA 2.192 60.057 58.100 -0.392 0.000 1.163 237 Y CB -1.095 37.130 38.460 -0.392 0.000 0.974 237 Y HN 0.305 nan 8.280 nan 0.000 0.511 238 F N -0.264 119.517 119.950 -0.281 0.000 2.025 238 F HA -0.330 4.190 4.527 -0.011 0.000 0.297 238 F C 1.796 177.586 175.800 -0.017 0.000 1.132 238 F CA 1.820 59.611 58.000 -0.347 0.000 1.191 238 F CB -0.682 37.907 39.000 -0.684 0.000 0.963 238 F HN 0.031 nan 8.300 nan 0.000 0.481 239 W N 0.088 121.402 121.300 0.025 0.000 2.336 239 W HA -0.184 4.470 4.660 -0.011 0.000 0.277 239 W C 2.052 178.511 176.519 -0.101 0.000 1.211 239 W CA 1.352 58.678 57.345 -0.031 0.000 1.187 239 W CB -1.498 27.925 29.460 -0.061 0.000 1.132 239 W HN 0.258 nan 8.180 nan 0.000 0.562 240 L N -1.534 119.709 121.223 0.034 0.000 2.541 240 L HA 0.170 4.503 4.340 -0.011 0.000 0.187 240 L C 2.049 178.801 176.870 -0.195 0.000 1.098 240 L CA 0.737 55.499 54.840 -0.130 0.000 0.846 240 L CB -1.294 40.581 42.059 -0.307 0.000 1.151 240 L HN -0.277 nan 8.230 nan 0.000 0.492 241 L N 1.107 122.206 121.223 -0.208 0.000 2.151 241 L HA -0.176 4.158 4.340 -0.011 0.000 0.215 241 L C -0.639 176.320 176.870 0.149 0.000 1.084 241 L CA 2.337 57.149 54.840 -0.048 0.000 0.764 241 L CB -2.145 40.006 42.059 0.154 0.000 0.891 241 L HN 0.261 nan 8.230 nan 0.000 0.435 242 P HA -0.174 nan 4.420 nan 0.000 0.215 242 P C 1.373 178.756 177.300 0.138 0.000 1.157 242 P CA 1.964 64.994 63.100 -0.115 0.000 0.868 242 P CB -0.051 31.526 31.700 -0.205 0.000 0.788 243 A N -2.455 120.477 122.820 0.186 0.000 2.206 243 A HA -0.083 4.230 4.320 -0.011 0.000 0.211 243 A C 2.006 179.757 177.584 0.278 0.000 1.158 243 A CA 0.560 52.736 52.037 0.232 0.000 0.761 243 A CB -1.571 17.526 19.000 0.163 0.000 0.801 243 A HN 0.195 nan 8.150 nan 0.000 0.473 244 Y N -0.376 120.003 120.300 0.132 0.000 2.163 244 Y HA -0.231 4.312 4.550 -0.011 0.000 0.288 244 Y C 2.967 179.072 175.900 0.341 0.000 1.136 244 Y CA 0.499 58.697 58.100 0.163 0.000 1.147 244 Y CB -0.130 38.448 38.460 0.197 0.000 0.987 244 Y HN 0.427 nan 8.280 nan 0.000 0.509 245 A N 0.711 123.892 122.820 0.603 0.000 1.892 245 A HA -0.237 4.076 4.320 -0.011 0.000 0.218 245 A C 2.099 179.838 177.584 0.260 0.000 1.188 245 A CA 1.862 54.122 52.037 0.372 0.000 0.631 245 A CB -1.077 17.999 19.000 0.126 0.000 0.822 245 A HN 0.508 nan 8.150 nan 0.000 0.447 246 I N -0.432 120.289 120.570 0.252 0.000 2.226 246 I HA -0.239 3.924 4.170 -0.011 0.000 0.245 246 I C 2.199 178.412 176.117 0.160 0.000 1.100 246 I CA 1.335 62.785 61.300 0.249 0.000 1.374 246 I CB -0.376 37.834 38.000 0.351 0.000 1.057 246 I HN 0.317 nan 8.210 nan 0.000 0.413 247 I N -0.650 119.998 120.570 0.130 0.000 2.493 247 I HA -0.283 3.881 4.170 -0.011 0.000 0.254 247 I C 2.245 178.343 176.117 -0.033 0.000 1.160 247 I CA 1.558 62.858 61.300 -0.001 0.000 1.445 247 I CB -0.331 37.611 38.000 -0.096 0.000 1.086 247 I HN 0.197 nan 8.210 nan 0.000 0.433 248 Y N 0.560 120.896 120.300 0.060 0.000 2.397 248 Y HA -0.124 4.420 4.550 -0.011 0.000 0.292 248 Y C 2.534 178.435 175.900 0.001 0.000 1.115 248 Y CA 1.294 59.411 58.100 0.029 0.000 1.208 248 Y CB 0.431 38.946 38.460 0.091 0.000 1.046 248 Y HN 0.216 nan 8.280 nan 0.000 0.552 249 T N -4.094 110.567 114.554 0.179 0.000 3.058 249 T HA 0.289 4.632 4.350 -0.011 0.000 0.278 249 T C 0.690 175.450 174.700 0.100 0.000 0.974 249 T CA -0.021 62.134 62.100 0.093 0.000 0.893 249 T CB -0.101 68.776 68.868 0.015 0.000 1.138 249 T HN 0.215 nan 8.240 nan 0.000 0.529 250 I N -0.857 119.739 120.570 0.043 0.000 4.676 250 I HA 0.285 4.449 4.170 -0.011 0.000 0.306 250 I C 1.601 177.638 176.117 -0.134 0.000 1.178 250 I CA -0.156 61.087 61.300 -0.096 0.000 1.335 250 I CB 0.229 38.076 38.000 -0.254 0.000 1.541 250 I HN 0.084 nan 8.210 nan 0.000 0.469 251 L N 3.442 124.627 121.223 -0.063 0.000 2.013 251 L HA -0.070 4.263 4.340 -0.011 0.000 0.212 251 L C -0.726 176.163 176.870 0.031 0.000 1.073 251 L CA 2.748 57.572 54.840 -0.027 0.000 0.753 251 L CB -1.621 40.411 42.059 -0.046 0.000 0.890 251 L HN 0.037 nan 8.230 nan 0.000 0.432 252 P HA -0.259 nan 4.420 nan 0.000 0.213 252 P C 1.487 178.820 177.300 0.055 0.000 1.176 252 P CA 2.040 65.179 63.100 0.065 0.000 0.919 252 P CB -0.172 31.563 31.700 0.058 0.000 0.791 253 K N -0.414 119.999 120.400 0.022 0.000 2.280 253 K HA -0.164 4.149 4.320 -0.011 0.000 0.202 253 K C 2.085 178.663 176.600 -0.037 0.000 1.047 253 K CA 1.277 57.564 56.287 -0.001 0.000 0.942 253 K CB -0.598 31.900 32.500 -0.004 0.000 0.739 253 K HN -0.037 nan 8.250 nan 0.000 0.457 254 Q N -0.206 119.563 119.800 -0.052 0.000 2.291 254 Q HA -0.034 4.299 4.340 -0.011 0.000 0.205 254 Q C 1.847 177.832 176.000 -0.024 0.000 0.970 254 Q CA 1.467 57.243 55.803 -0.044 0.000 0.876 254 Q CB -0.003 28.710 28.738 -0.042 0.000 0.935 254 Q HN 0.523 nan 8.270 nan 0.000 0.455 255 A N -0.584 122.244 122.820 0.014 0.000 2.147 255 A HA 0.362 4.676 4.320 -0.011 0.000 0.211 255 A C 1.272 178.794 177.584 -0.103 0.000 1.160 255 A CA 0.870 52.855 52.037 -0.087 0.000 0.781 255 A CB 0.137 19.213 19.000 0.127 0.000 0.842 255 A HN 0.348 nan 8.150 nan 0.000 0.475 256 G N -1.573 107.202 108.800 -0.041 0.000 2.325 256 G HA2 0.228 4.181 3.960 -0.011 0.000 0.248 256 G HA3 0.228 4.181 3.960 -0.011 0.000 0.248 256 G C 0.451 175.363 174.900 0.019 0.000 1.108 256 G CA 0.345 45.427 45.100 -0.031 0.000 0.881 256 G HN 1.440 nan 8.290 nan 0.000 0.494 257 G N -0.997 107.854 108.800 0.086 0.000 3.166 257 G HA2 0.864 4.817 3.960 -0.011 0.000 0.267 257 G HA3 0.864 4.817 3.960 -0.011 0.000 0.267 257 G C -0.657 174.362 174.900 0.199 0.000 1.256 257 G CA -0.880 44.350 45.100 0.218 0.000 0.859 257 G HN 0.599 nan 8.290 nan 0.000 0.590 258 R N -0.737 119.877 120.500 0.190 0.000 2.604 258 R HA 0.410 4.743 4.340 -0.011 0.000 0.281 258 R C -1.264 175.033 176.300 -0.006 0.000 1.020 258 R CA -0.900 55.233 56.100 0.056 0.000 0.899 258 R CB 2.377 32.676 30.300 -0.000 0.000 1.205 258 R HN 0.454 nan 8.270 nan 0.000 0.450 259 L N 3.186 124.408 121.223 -0.001 0.000 2.640 259 L HA -0.077 4.256 4.340 -0.011 0.000 0.280 259 L C 0.964 177.784 176.870 -0.082 0.000 1.229 259 L CA 0.530 55.367 54.840 -0.005 0.000 0.919 259 L CB 0.918 42.983 42.059 0.010 0.000 1.168 259 L HN 0.696 nan 8.230 nan 0.000 0.496 260 V N 1.183 121.033 119.914 -0.106 0.000 3.623 260 V HA 0.322 4.435 4.120 -0.011 0.000 0.271 260 V C 0.720 176.742 176.094 -0.120 0.000 1.248 260 V CA 0.691 62.883 62.300 -0.180 0.000 1.156 260 V CB -0.491 31.184 31.823 -0.246 0.000 0.870 260 V HN 0.823 nan 8.190 nan 0.000 0.453 261 S N 0.730 116.382 115.700 -0.080 0.000 2.392 261 S HA 0.190 4.653 4.470 -0.011 0.000 0.246 261 S C 0.399 174.935 174.600 -0.106 0.000 0.999 261 S CA -0.154 57.998 58.200 -0.081 0.000 1.059 261 S CB 1.063 64.231 63.200 -0.053 0.000 1.194 261 S HN 0.570 nan 8.310 nan 0.000 0.421 262 D N 4.653 124.980 120.400 -0.121 0.000 2.133 262 D HA -0.064 4.569 4.640 -0.011 0.000 0.195 262 D C -1.085 175.119 176.300 -0.160 0.000 0.997 262 D CA 1.625 55.533 54.000 -0.154 0.000 0.840 262 D CB -0.630 40.083 40.800 -0.144 0.000 0.947 262 D HN 0.421 nan 8.370 nan 0.000 0.452 263 P HA -0.124 nan 4.420 nan 0.000 0.211 263 P C 1.928 179.163 177.300 -0.108 0.000 1.179 263 P CA 1.267 64.298 63.100 -0.115 0.000 0.910 263 P CB -0.129 31.520 31.700 -0.085 0.000 0.785 264 M N -1.187 118.361 119.600 -0.087 0.000 2.202 264 M HA -0.135 4.339 4.480 -0.011 0.000 0.262 264 M C 2.042 178.265 176.300 -0.129 0.000 1.063 264 M CA 1.924 57.185 55.300 -0.065 0.000 1.097 264 M CB -1.871 30.729 32.600 -0.000 0.000 1.382 264 M HN -0.090 nan 8.290 nan 0.000 0.413 265 A N 0.217 122.864 122.820 -0.288 0.000 1.841 265 A HA -0.153 4.160 4.320 -0.011 0.000 0.214 265 A C 2.264 179.740 177.584 -0.179 0.000 1.195 265 A CA 1.424 53.091 52.037 -0.617 0.000 0.611 265 A CB -0.673 17.728 19.000 -0.999 0.000 0.835 265 A HN 0.432 nan 8.150 nan 0.000 0.443 266 R N -1.054 119.388 120.500 -0.096 0.000 2.154 266 R HA -0.203 4.130 4.340 -0.011 0.000 0.248 266 R C 2.031 178.424 176.300 0.156 0.000 1.155 266 R CA 1.606 57.781 56.100 0.124 0.000 0.979 266 R CB -0.610 29.603 30.300 -0.145 0.000 0.869 266 R HN 0.534 nan 8.270 nan 0.000 0.452 267 L N 0.309 121.534 121.223 0.002 0.000 2.095 267 L HA 0.035 4.369 4.340 -0.011 0.000 0.204 267 L C 2.222 179.057 176.870 -0.059 0.000 1.080 267 L CA 1.740 56.551 54.840 -0.048 0.000 0.759 267 L CB -0.705 41.304 42.059 -0.083 0.000 0.914 267 L HN 0.081 nan 8.230 nan 0.000 0.439 268 A N -0.055 122.737 122.820 -0.045 0.000 1.863 268 A HA -0.311 4.002 4.320 -0.011 0.000 0.218 268 A C 2.186 179.713 177.584 -0.095 0.000 1.233 268 A CA 2.561 54.521 52.037 -0.128 0.000 0.655 268 A CB -1.530 17.466 19.000 -0.006 0.000 0.839 268 A HN 0.472 nan 8.150 nan 0.000 0.454 269 F N -0.772 119.187 119.950 0.014 0.000 2.202 269 F HA -0.146 4.375 4.527 -0.011 0.000 0.301 269 F C 2.094 177.903 175.800 0.015 0.000 1.082 269 F CA 1.485 59.554 58.000 0.116 0.000 1.313 269 F CB -0.414 38.619 39.000 0.056 0.000 1.024 269 F HN 0.295 nan 8.300 nan 0.000 0.495 270 L N 0.077 121.378 121.223 0.130 0.000 1.971 270 L HA -0.237 4.096 4.340 -0.011 0.000 0.215 270 L C 2.152 178.951 176.870 -0.118 0.000 1.072 270 L CA 1.844 56.648 54.840 -0.059 0.000 0.758 270 L CB -0.825 41.109 42.059 -0.208 0.000 0.889 270 L HN 0.122 nan 8.230 nan 0.000 0.433 271 L N -1.558 119.565 121.223 -0.167 0.000 2.191 271 L HA -0.233 4.101 4.340 -0.011 0.000 0.212 271 L C 2.376 179.179 176.870 -0.112 0.000 1.103 271 L CA 1.233 55.953 54.840 -0.199 0.000 0.769 271 L CB -0.366 41.538 42.059 -0.259 0.000 0.908 271 L HN 0.319 nan 8.230 nan 0.000 0.438 272 F N -0.995 118.902 119.950 -0.088 0.000 2.206 272 F HA -0.270 4.250 4.527 -0.011 0.000 0.298 272 F C 2.303 178.048 175.800 -0.092 0.000 1.090 272 F CA 0.368 58.295 58.000 -0.121 0.000 1.323 272 F CB 0.077 39.003 39.000 -0.124 0.000 1.028 272 F HN 0.088 nan 8.300 nan 0.000 0.492 273 L N 0.409 121.726 121.223 0.158 0.000 1.976 273 L HA -0.212 4.121 4.340 -0.011 0.000 0.209 273 L C 1.977 178.875 176.870 0.046 0.000 1.071 273 L CA 1.803 56.708 54.840 0.108 0.000 0.746 273 L CB -1.142 40.986 42.059 0.115 0.000 0.890 273 L HN -0.017 nan 8.230 nan 0.000 0.432 274 L N -0.777 120.448 121.223 0.003 0.000 2.081 274 L HA -0.214 4.119 4.340 -0.011 0.000 0.212 274 L C 2.440 179.283 176.870 -0.045 0.000 1.080 274 L CA 1.894 56.719 54.840 -0.025 0.000 0.754 274 L CB -0.906 41.122 42.059 -0.053 0.000 0.893 274 L HN 0.313 nan 8.230 nan 0.000 0.433 275 L N -2.055 119.144 121.223 -0.041 0.000 2.537 275 L HA 0.063 4.396 4.340 -0.011 0.000 0.224 275 L C 2.225 179.025 176.870 -0.115 0.000 1.065 275 L CA 0.515 55.317 54.840 -0.063 0.000 0.860 275 L CB -0.223 41.818 42.059 -0.029 0.000 1.086 275 L HN 0.206 nan 8.230 nan 0.000 0.482 276 S N -1.308 114.322 115.700 -0.117 0.000 2.500 276 S HA -0.129 4.334 4.470 -0.011 0.000 0.239 276 S C 1.699 176.287 174.600 -0.021 0.000 0.989 276 S CA 1.442 59.543 58.200 -0.166 0.000 0.951 276 S CB -0.528 62.549 63.200 -0.206 0.000 0.759 276 S HN 0.326 nan 8.310 nan 0.000 0.523 277 T N 2.425 116.942 114.554 -0.063 0.000 2.901 277 T HA 0.098 4.441 4.350 -0.011 0.000 0.252 277 T C -1.524 173.046 174.700 -0.216 0.000 1.035 277 T CA 0.452 62.500 62.100 -0.087 0.000 1.142 277 T CB -0.810 68.009 68.868 -0.082 0.000 0.869 277 T HN 0.418 nan 8.240 nan 0.000 0.442 278 P HA 0.230 nan 4.420 nan 0.000 0.226 278 P C 0.176 177.057 177.300 -0.700 0.000 1.758 278 P CA 0.267 63.014 63.100 -0.589 0.000 0.896 278 P CB -0.389 30.990 31.700 -0.535 0.000 1.784 279 V N -4.126 115.555 119.914 -0.389 0.000 3.426 279 V HA 0.278 4.391 4.120 -0.011 0.000 0.279 279 V C 2.366 178.372 176.094 -0.147 0.000 1.544 279 V CA 0.744 62.910 62.300 -0.223 0.000 1.017 279 V CB -0.663 31.055 31.823 -0.175 0.000 0.821 279 V HN 0.173 nan 8.190 nan 0.000 0.432 280 G N 1.329 110.059 108.800 -0.117 0.000 2.661 280 G HA2 -0.326 3.627 3.960 -0.011 0.000 0.224 280 G HA3 -0.326 3.627 3.960 -0.011 0.000 0.224 280 G C 1.309 176.205 174.900 -0.006 0.000 1.114 280 G CA 1.806 46.918 45.100 0.021 0.000 0.751 280 G HN 0.584 nan 8.290 nan 0.000 0.609 281 F N 1.270 121.054 119.950 -0.276 0.000 2.449 281 F HA -0.140 4.381 4.527 -0.010 0.000 0.299 281 F C 2.690 178.130 175.800 -0.601 0.000 1.092 281 F CA 0.758 58.509 58.000 -0.414 0.000 1.446 281 F CB -0.317 38.278 39.000 -0.675 0.000 1.084 281 F HN 0.437 nan 8.300 nan 0.000 0.567 282 H N -0.742 118.108 119.070 -0.366 0.000 2.387 282 H HA -0.161 4.388 4.556 -0.012 0.000 0.299 282 H C 1.553 176.191 175.328 -1.150 0.000 1.090 282 H CA 1.618 57.044 56.048 -1.037 0.000 1.332 282 H CB -1.062 28.477 29.762 -0.371 0.000 1.386 282 H HN 0.413 nan 8.280 nan 0.000 0.516 283 H N 1.247 119.942 119.070 -0.625 0.000 2.421 283 H HA -0.031 4.518 4.556 -0.011 0.000 0.298 283 H C 0.950 175.995 175.328 -0.471 0.000 1.087 283 H CA 1.072 56.726 56.048 -0.657 0.000 1.330 283 H CB 0.163 29.117 29.762 -1.347 0.000 1.388 283 H HN 0.576 nan 8.280 nan 0.000 0.526 284 Q N 0.232 119.868 119.800 -0.273 0.000 2.242 284 Q HA 0.104 4.438 4.340 -0.011 0.000 0.246 284 Q C 0.797 176.777 176.000 -0.034 0.000 0.883 284 Q CA -0.346 55.395 55.803 -0.104 0.000 0.984 284 Q CB 0.101 28.865 28.738 0.043 0.000 1.096 284 Q HN 0.452 nan 8.270 nan 0.000 0.452 285 F N -0.271 119.660 119.950 -0.031 0.000 2.293 285 F HA -0.113 4.408 4.527 -0.011 0.000 0.300 285 F C 2.055 177.918 175.800 0.105 0.000 1.086 285 F CA 0.422 58.442 58.000 0.033 0.000 1.375 285 F CB 0.276 39.166 39.000 -0.185 0.000 1.045 285 F HN 0.266 nan 8.300 nan 0.000 0.516 286 A N -1.057 121.810 122.820 0.078 0.000 2.220 286 A HA 0.071 4.384 4.320 -0.011 0.000 0.211 286 A C 0.032 177.659 177.584 0.073 0.000 1.176 286 A CA -0.081 52.021 52.037 0.109 0.000 0.834 286 A CB -0.365 18.463 19.000 -0.287 0.000 0.868 286 A HN 0.050 nan 8.150 nan 0.000 0.488 287 D N 1.441 121.869 120.400 0.048 0.000 2.382 287 D HA 0.403 5.037 4.640 -0.011 0.000 0.245 287 D C -2.243 174.073 176.300 0.026 0.000 1.120 287 D CA -0.828 53.184 54.000 0.020 0.000 0.890 287 D CB 0.953 41.755 40.800 0.004 0.000 1.201 287 D HN 0.242 nan 8.370 nan 0.000 0.433 288 P HA 0.396 nan 4.420 nan 0.000 0.287 288 P C 0.383 177.658 177.300 -0.042 0.000 1.292 288 P CA -0.642 62.451 63.100 -0.012 0.000 0.879 288 P CB 1.761 33.451 31.700 -0.018 0.000 1.214 289 G N -0.378 108.394 108.800 -0.046 0.000 2.194 289 G HA2 -0.174 3.779 3.960 -0.011 0.000 0.236 289 G HA3 -0.174 3.779 3.960 -0.011 0.000 0.236 289 G C -0.118 174.725 174.900 -0.095 0.000 0.987 289 G CA -0.113 44.945 45.100 -0.069 0.000 0.635 289 G HN 0.486 nan 8.290 nan 0.000 0.520 290 I N 1.759 122.266 120.570 -0.105 0.000 2.441 290 I HA 0.325 4.488 4.170 -0.011 0.000 0.295 290 I C -0.210 175.852 176.117 -0.091 0.000 0.994 290 I CA -0.907 60.285 61.300 -0.180 0.000 1.144 290 I CB 1.712 39.486 38.000 -0.378 0.000 1.314 290 I HN 0.222 nan 8.210 nan 0.000 0.445 291 D N 8.168 128.549 120.400 -0.031 0.000 2.308 291 D HA 0.128 4.762 4.640 -0.011 0.000 0.251 291 D C -1.906 174.416 176.300 0.036 0.000 1.127 291 D CA -1.489 52.528 54.000 0.029 0.000 0.876 291 D CB 1.973 42.815 40.800 0.070 0.000 1.176 291 D HN 0.169 nan 8.370 nan 0.000 0.446 292 P HA -0.242 nan 4.420 nan 0.000 0.228 292 P C 1.059 178.358 177.300 -0.002 0.000 1.153 292 P CA 2.086 65.257 63.100 0.119 0.000 0.897 292 P CB 0.172 31.942 31.700 0.117 0.000 0.782 293 T N -3.760 110.757 114.554 -0.061 0.000 2.814 293 T HA -0.080 4.263 4.350 -0.011 0.000 0.254 293 T C 1.469 176.056 174.700 -0.190 0.000 1.037 293 T CA 0.854 62.851 62.100 -0.172 0.000 1.143 293 T CB -1.040 67.681 68.868 -0.246 0.000 0.866 293 T HN 0.199 nan 8.240 nan 0.000 0.431 294 W N 2.300 123.609 121.300 0.015 0.000 2.325 294 W HA -0.099 4.554 4.660 -0.012 0.000 0.299 294 W C 2.448 179.062 176.519 0.157 0.000 1.215 294 W CA 0.672 58.091 57.345 0.123 0.000 1.244 294 W CB -0.138 29.389 29.460 0.112 0.000 1.140 294 W HN 0.210 nan 8.180 nan 0.000 0.523 295 K N -0.743 119.731 120.400 0.124 0.000 1.988 295 K HA -0.284 4.030 4.320 -0.011 0.000 0.221 295 K C 2.011 178.480 176.600 -0.218 0.000 1.053 295 K CA 1.696 57.950 56.287 -0.055 0.000 0.959 295 K CB -0.794 31.568 32.500 -0.229 0.000 0.728 295 K HN 0.015 nan 8.250 nan 0.000 0.447 296 M N 1.066 120.408 119.600 -0.430 0.000 2.267 296 M HA -0.104 4.370 4.480 -0.011 0.000 0.263 296 M C 1.918 178.124 176.300 -0.156 0.000 1.063 296 M CA 1.385 56.447 55.300 -0.397 0.000 1.090 296 M CB -0.598 31.871 32.600 -0.219 0.000 1.392 296 M HN 0.172 nan 8.290 nan 0.000 0.422 297 I N -1.316 119.234 120.570 -0.034 0.000 2.286 297 I HA -0.300 3.863 4.170 -0.011 0.000 0.245 297 I C 1.970 178.151 176.117 0.106 0.000 1.104 297 I CA 0.955 62.271 61.300 0.027 0.000 1.397 297 I CB -0.507 37.478 38.000 -0.025 0.000 1.072 297 I HN 0.269 nan 8.210 nan 0.000 0.417 298 H N -0.559 118.546 119.070 0.059 0.000 2.389 298 H HA -0.113 4.436 4.556 -0.011 0.000 0.299 298 H C 2.513 177.850 175.328 0.016 0.000 1.081 298 H CA 1.496 57.540 56.048 -0.007 0.000 1.345 298 H CB -0.332 29.422 29.762 -0.012 0.000 1.393 298 H HN 0.198 nan 8.280 nan 0.000 0.520 299 S N -0.037 115.750 115.700 0.146 0.000 2.370 299 S HA -0.148 4.315 4.470 -0.011 0.000 0.226 299 S C 2.191 176.769 174.600 -0.038 0.000 1.033 299 S CA 1.440 59.709 58.200 0.114 0.000 1.011 299 S CB -0.519 62.692 63.200 0.018 0.000 0.852 299 S HN 0.184 nan 8.310 nan 0.000 0.457 300 V N 2.312 122.135 119.914 -0.152 0.000 2.283 300 V HA -0.074 4.039 4.120 -0.011 0.000 0.243 300 V C 2.512 178.311 176.094 -0.491 0.000 1.039 300 V CA 1.726 63.806 62.300 -0.367 0.000 1.016 300 V CB -0.908 30.652 31.823 -0.438 0.000 0.650 300 V HN 0.483 nan 8.190 nan 0.000 0.449 301 L N 0.041 121.076 121.223 -0.314 0.000 2.103 301 L HA -0.292 4.041 4.340 -0.011 0.000 0.215 301 L C 2.608 179.438 176.870 -0.067 0.000 1.080 301 L CA 2.192 56.938 54.840 -0.157 0.000 0.764 301 L CB -1.190 40.772 42.059 -0.162 0.000 0.890 301 L HN 0.399 nan 8.230 nan 0.000 0.435 302 T N 0.145 114.670 114.554 -0.049 0.000 2.777 302 T HA -0.103 4.240 4.350 -0.011 0.000 0.266 302 T C 1.891 176.599 174.700 0.013 0.000 1.040 302 T CA 1.045 63.156 62.100 0.017 0.000 1.141 302 T CB -0.185 68.739 68.868 0.094 0.000 0.868 302 T HN 0.229 nan 8.240 nan 0.000 0.444 303 L N -0.147 121.050 121.223 -0.043 0.000 2.450 303 L HA 0.044 4.377 4.340 -0.011 0.000 0.224 303 L C 2.014 178.956 176.870 0.120 0.000 1.149 303 L CA 0.956 55.794 54.840 -0.003 0.000 0.816 303 L CB -0.585 41.430 42.059 -0.073 0.000 0.932 303 L HN 0.308 nan 8.230 nan 0.000 0.449 304 F N -1.379 118.573 119.950 0.004 0.000 2.179 304 F HA -0.148 4.373 4.527 -0.010 0.000 0.292 304 F C 2.445 178.237 175.800 -0.014 0.000 1.089 304 F CA 0.437 58.428 58.000 -0.015 0.000 1.295 304 F CB -0.044 38.934 39.000 -0.037 0.000 1.041 304 F HN -0.218 nan 8.300 nan 0.000 0.487 305 V N 0.435 120.461 119.914 0.186 0.000 2.828 305 V HA -0.279 3.835 4.120 -0.011 0.000 0.260 305 V C 2.090 178.304 176.094 0.200 0.000 1.101 305 V CA 1.726 64.093 62.300 0.112 0.000 1.123 305 V CB -0.586 31.248 31.823 0.018 0.000 0.704 305 V HN 0.309 nan 8.190 nan 0.000 0.493 306 A N -1.105 121.842 122.820 0.211 0.000 2.168 306 A HA -0.010 4.303 4.320 -0.011 0.000 0.215 306 A C 2.163 179.845 177.584 0.164 0.000 1.152 306 A CA 1.396 53.570 52.037 0.228 0.000 0.716 306 A CB -0.245 18.866 19.000 0.186 0.000 0.794 306 A HN 0.440 nan 8.150 nan 0.000 0.465 307 V N 0.297 120.271 119.914 0.099 0.000 2.488 307 V HA -0.075 4.038 4.120 -0.011 0.000 0.246 307 V C -0.346 175.726 176.094 -0.037 0.000 1.046 307 V CA 1.801 64.121 62.300 0.034 0.000 1.053 307 V CB -1.051 30.779 31.823 0.011 0.000 0.679 307 V HN 0.331 nan 8.190 nan 0.000 0.458 308 P HA -0.136 nan 4.420 nan 0.000 0.216 308 P C 1.907 179.177 177.300 -0.050 0.000 1.150 308 P CA 1.773 64.676 63.100 -0.329 0.000 0.843 308 P CB 0.007 31.019 31.700 -1.146 0.000 0.787 309 S N -1.337 114.479 115.700 0.192 0.000 2.406 309 S HA 0.042 4.505 4.470 -0.011 0.000 0.224 309 S C 1.770 176.528 174.600 0.263 0.000 1.030 309 S CA 0.551 59.000 58.200 0.415 0.000 0.958 309 S CB -0.900 62.740 63.200 0.733 0.000 0.811 309 S HN 0.075 nan 8.310 nan 0.000 0.489 310 L N 0.822 122.169 121.223 0.206 0.000 2.127 310 L HA -0.127 4.206 4.340 -0.011 0.000 0.211 310 L C 2.429 179.373 176.870 0.123 0.000 1.089 310 L CA 1.207 56.142 54.840 0.157 0.000 0.757 310 L CB -0.369 41.760 42.059 0.116 0.000 0.899 310 L HN 0.353 nan 8.230 nan 0.000 0.434 311 M N -1.649 118.004 119.600 0.088 0.000 2.216 311 M HA -0.137 4.336 4.480 -0.011 0.000 0.264 311 M C 2.363 178.727 176.300 0.107 0.000 1.080 311 M CA 1.473 56.828 55.300 0.091 0.000 1.153 311 M CB -0.184 32.438 32.600 0.036 0.000 1.356 311 M HN 0.082 nan 8.290 nan 0.000 0.432 312 T N 0.974 115.545 114.554 0.028 0.000 2.721 312 T HA -0.205 4.139 4.350 -0.011 0.000 0.268 312 T C 1.666 176.254 174.700 -0.187 0.000 1.038 312 T CA 1.602 63.602 62.100 -0.168 0.000 1.145 312 T CB -0.306 68.198 68.868 -0.607 0.000 0.858 312 T HN 0.505 nan 8.240 nan 0.000 0.459 313 A N 0.736 123.537 122.820 -0.032 0.000 1.851 313 A HA -0.104 4.209 4.320 -0.011 0.000 0.216 313 A C 2.023 179.651 177.584 0.074 0.000 1.195 313 A CA 1.813 53.875 52.037 0.042 0.000 0.622 313 A CB -1.219 17.870 19.000 0.149 0.000 0.831 313 A HN 0.540 nan 8.150 nan 0.000 0.444 314 F N 0.944 120.890 119.950 -0.007 0.000 2.046 314 F HA -0.211 4.309 4.527 -0.011 0.000 0.297 314 F C 2.713 178.499 175.800 -0.023 0.000 1.123 314 F CA 2.418 60.411 58.000 -0.010 0.000 1.199 314 F CB -0.501 38.496 39.000 -0.005 0.000 0.972 314 F HN 0.248 nan 8.300 nan 0.000 0.474 315 T N -0.053 114.534 114.554 0.055 0.000 2.624 315 T HA -0.246 4.097 4.350 -0.011 0.000 0.268 315 T C 2.029 176.658 174.700 -0.118 0.000 1.041 315 T CA 1.835 63.931 62.100 -0.006 0.000 1.159 315 T CB -0.810 68.185 68.868 0.212 0.000 0.863 315 T HN 0.132 nan 8.240 nan 0.000 0.434 316 V N 1.187 121.007 119.914 -0.155 0.000 2.490 316 V HA -0.162 3.951 4.120 -0.011 0.000 0.250 316 V C 2.644 178.660 176.094 -0.130 0.000 1.061 316 V CA 1.631 63.828 62.300 -0.173 0.000 1.064 316 V CB -1.079 30.585 31.823 -0.265 0.000 0.670 316 V HN 0.560 nan 8.190 nan 0.000 0.461 317 A N -0.130 122.580 122.820 -0.184 0.000 1.831 317 A HA 0.028 4.341 4.320 -0.011 0.000 0.213 317 A C 2.498 179.859 177.584 -0.371 0.000 1.223 317 A CA 1.719 53.644 52.037 -0.187 0.000 0.604 317 A CB -1.224 17.678 19.000 -0.163 0.000 0.878 317 A HN 0.566 nan 8.150 nan 0.000 0.450 318 A N -0.460 122.015 122.820 -0.575 0.000 1.935 318 A HA -0.314 3.999 4.320 -0.011 0.000 0.224 318 A C 2.456 179.870 177.584 -0.284 0.000 1.324 318 A CA 2.938 54.647 52.037 -0.547 0.000 0.686 318 A CB -1.345 17.189 19.000 -0.778 0.000 0.837 318 A HN 0.508 nan 8.150 nan 0.000 0.481 319 S N -0.891 114.690 115.700 -0.198 0.000 2.383 319 S HA 0.015 4.479 4.470 -0.011 0.000 0.227 319 S C 1.775 176.407 174.600 0.052 0.000 1.026 319 S CA 1.218 59.386 58.200 -0.052 0.000 0.981 319 S CB -0.374 62.808 63.200 -0.031 0.000 0.818 319 S HN 0.500 nan 8.310 nan 0.000 0.472 320 L N 1.072 122.337 121.223 0.070 0.000 2.141 320 L HA -0.116 4.217 4.340 -0.011 0.000 0.209 320 L C 2.608 179.647 176.870 0.281 0.000 1.094 320 L CA 1.374 56.370 54.840 0.259 0.000 0.763 320 L CB -0.444 41.897 42.059 0.470 0.000 0.908 320 L HN 0.446 nan 8.230 nan 0.000 0.437 321 E N 0.452 120.668 120.200 0.026 0.000 2.028 321 E HA -0.254 4.089 4.350 -0.011 0.000 0.190 321 E C 2.224 178.855 176.600 0.051 0.000 0.984 321 E CA 0.946 57.275 56.400 -0.117 0.000 0.800 321 E CB -0.292 28.936 29.700 -0.787 0.000 0.758 321 E HN 0.282 nan 8.360 nan 0.000 0.448 322 F N 1.661 121.546 119.950 -0.108 0.000 2.045 322 F HA -0.353 4.167 4.527 -0.011 0.000 0.297 322 F C 2.248 178.048 175.800 -0.000 0.000 1.114 322 F CA 2.523 60.489 58.000 -0.057 0.000 1.207 322 F CB -0.636 38.327 39.000 -0.062 0.000 0.964 322 F HN 0.184 nan 8.300 nan 0.000 0.486 323 A N 0.356 123.276 122.820 0.166 0.000 1.892 323 A HA -0.181 4.132 4.320 -0.011 0.000 0.218 323 A C 2.465 180.046 177.584 -0.004 0.000 1.188 323 A CA 2.110 54.172 52.037 0.042 0.000 0.631 323 A CB -1.943 17.124 19.000 0.111 0.000 0.822 323 A HN 0.618 nan 8.150 nan 0.000 0.447 324 G N -0.662 108.213 108.800 0.125 0.000 2.446 324 G HA2 -0.255 3.698 3.960 -0.011 0.000 0.217 324 G HA3 -0.255 3.698 3.960 -0.011 0.000 0.217 324 G C 1.744 176.702 174.900 0.097 0.000 1.168 324 G CA 0.950 46.158 45.100 0.181 0.000 0.771 324 G HN 0.536 nan 8.290 nan 0.000 0.551 325 R N -0.373 120.157 120.500 0.049 0.000 2.061 325 R HA 0.025 4.358 4.340 -0.011 0.000 0.230 325 R C 2.544 178.778 176.300 -0.110 0.000 1.140 325 R CA 0.827 56.916 56.100 -0.019 0.000 0.940 325 R CB -1.194 29.072 30.300 -0.056 0.000 0.839 325 R HN 0.278 nan 8.270 nan 0.000 0.429 326 L N 1.330 122.402 121.223 -0.251 0.000 2.149 326 L HA -0.256 4.078 4.340 -0.011 0.000 0.223 326 L C 1.892 178.676 176.870 -0.144 0.000 1.089 326 L CA 1.873 56.545 54.840 -0.279 0.000 0.800 326 L CB -0.444 41.372 42.059 -0.404 0.000 0.897 326 L HN 0.201 nan 8.230 nan 0.000 0.443 327 R N -0.897 119.545 120.500 -0.097 0.000 2.480 327 R HA 0.392 4.725 4.340 -0.011 0.000 0.277 327 R C 0.684 176.964 176.300 -0.033 0.000 1.008 327 R CA 0.579 56.641 56.100 -0.063 0.000 1.090 327 R CB 0.041 30.302 30.300 -0.064 0.000 1.234 327 R HN 0.380 nan 8.270 nan 0.000 0.549 328 G N 0.545 109.328 108.800 -0.028 0.000 2.427 328 G HA2 -0.175 3.778 3.960 -0.011 0.000 0.193 328 G HA3 -0.175 3.778 3.960 -0.011 0.000 0.193 328 G C 0.066 174.979 174.900 0.021 0.000 1.086 328 G CA -0.465 44.631 45.100 -0.006 0.000 0.818 328 G HN 0.410 nan 8.290 nan 0.000 0.490 329 G N 0.155 108.974 108.800 0.033 0.000 2.546 329 G HA2 0.538 4.492 3.960 -0.011 0.000 0.320 329 G HA3 0.538 4.492 3.960 -0.011 0.000 0.320 329 G C 0.994 175.952 174.900 0.097 0.000 0.984 329 G CA 0.111 45.266 45.100 0.091 0.000 1.183 329 G HN 0.651 nan 8.290 nan 0.000 0.443 330 R N 1.827 122.384 120.500 0.095 0.000 2.401 330 R HA 0.013 4.347 4.340 -0.011 0.000 0.198 330 R C 1.958 178.308 176.300 0.083 0.000 0.980 330 R CA 1.514 57.661 56.100 0.078 0.000 0.839 330 R CB -0.377 29.965 30.300 0.071 0.000 0.717 330 R HN 0.517 nan 8.270 nan 0.000 0.464 331 G N -0.660 108.202 108.800 0.102 0.000 3.414 331 G HA2 0.209 4.163 3.960 -0.011 0.000 0.196 331 G HA3 0.209 4.163 3.960 -0.011 0.000 0.196 331 G C 0.533 175.480 174.900 0.079 0.000 1.486 331 G CA -0.340 44.808 45.100 0.081 0.000 0.811 331 G HN 0.202 nan 8.290 nan 0.000 0.704 332 L N -1.015 120.232 121.223 0.039 0.000 2.240 332 L HA 0.401 4.734 4.340 -0.011 0.000 0.211 332 L C 1.154 177.838 176.870 -0.309 0.000 1.106 332 L CA 1.458 56.208 54.840 -0.151 0.000 0.793 332 L CB 0.009 41.911 42.059 -0.262 0.000 0.927 332 L HN 0.316 nan 8.230 nan 0.000 0.446 333 F N -2.125 117.973 119.950 0.247 0.000 2.825 333 F HA 0.379 4.899 4.527 -0.011 0.000 0.322 333 F C 1.911 177.694 175.800 -0.029 0.000 1.127 333 F CA 0.134 58.218 58.000 0.139 0.000 1.164 333 F CB -0.392 38.627 39.000 0.032 0.000 1.101 333 F HN -0.102 nan 8.300 nan 0.000 0.529 334 G N 1.510 110.442 108.800 0.221 0.000 2.448 334 G HA2 -0.258 3.696 3.960 -0.011 0.000 0.219 334 G HA3 -0.258 3.696 3.960 -0.011 0.000 0.219 334 G C 1.558 176.531 174.900 0.123 0.000 1.127 334 G CA 0.931 46.112 45.100 0.134 0.000 0.766 334 G HN 0.595 nan 8.290 nan 0.000 0.552 335 W N 1.437 122.797 121.300 0.100 0.000 2.335 335 W HA -0.097 4.556 4.660 -0.011 0.000 0.311 335 W C 1.927 178.554 176.519 0.180 0.000 1.213 335 W CA 0.945 58.351 57.345 0.101 0.000 1.274 335 W CB -1.248 28.253 29.460 0.069 0.000 1.148 335 W HN 0.269 nan 8.180 nan 0.000 0.498 336 I N 1.453 121.485 120.570 -0.897 0.000 2.091 336 I HA -0.332 3.832 4.170 -0.011 0.000 0.239 336 I C 2.813 178.923 176.117 -0.011 0.000 1.061 336 I CA 2.257 63.234 61.300 -0.539 0.000 1.317 336 I CB -0.946 36.727 38.000 -0.545 0.000 1.031 336 I HN -0.044 nan 8.210 nan 0.000 0.401 337 R N 1.559 122.030 120.500 -0.049 0.000 2.241 337 R HA -0.048 4.285 4.340 -0.011 0.000 0.224 337 R C 2.023 178.380 176.300 0.096 0.000 1.101 337 R CA 1.280 57.380 56.100 -0.000 0.000 0.995 337 R CB -0.561 29.712 30.300 -0.044 0.000 0.870 337 R HN 0.419 nan 8.270 nan 0.000 0.463 338 A N 0.161 123.035 122.820 0.089 0.000 2.066 338 A HA 0.068 4.381 4.320 -0.011 0.000 0.218 338 A C 0.523 178.124 177.584 0.028 0.000 1.157 338 A CA 0.422 52.500 52.037 0.068 0.000 0.670 338 A CB -0.231 18.808 19.000 0.065 0.000 0.804 338 A HN 0.140 nan 8.150 nan 0.000 0.453 339 L N 0.032 121.275 121.223 0.033 0.000 2.453 339 L HA 0.185 4.519 4.340 -0.011 0.000 0.261 339 L C -1.720 174.855 176.870 -0.492 0.000 1.179 339 L CA -1.554 53.069 54.840 -0.362 0.000 0.813 339 L CB -0.421 41.261 42.059 -0.628 0.000 1.110 339 L HN 0.084 nan 8.230 nan 0.000 0.466 340 P HA -0.172 nan 4.420 nan 0.000 0.236 340 P C 0.671 177.773 177.300 -0.331 0.000 1.333 340 P CA 0.597 63.372 63.100 -0.542 0.000 0.806 340 P CB -0.660 30.662 31.700 -0.630 0.000 1.619 341 W N 1.348 122.595 121.300 -0.088 0.000 2.596 341 W HA -0.118 4.535 4.660 -0.011 0.000 0.255 341 W C 1.510 178.122 176.519 0.155 0.000 1.232 341 W CA 0.868 58.298 57.345 0.141 0.000 1.230 341 W CB -0.398 29.145 29.460 0.138 0.000 1.141 341 W HN 0.271 nan 8.180 nan 0.000 0.628 342 D N -1.472 119.052 120.400 0.206 0.000 2.398 342 D HA -0.010 4.624 4.640 -0.011 0.000 0.210 342 D C 0.076 176.449 176.300 0.121 0.000 1.094 342 D CA 0.029 54.123 54.000 0.157 0.000 0.839 342 D CB -0.352 40.506 40.800 0.096 0.000 0.963 342 D HN 0.105 nan 8.370 nan 0.000 0.506 343 N N 1.672 120.440 118.700 0.114 0.000 2.518 343 N HA 0.155 4.888 4.740 -0.011 0.000 0.254 343 N C -1.906 173.668 175.510 0.106 0.000 0.979 343 N CA -2.132 50.979 53.050 0.101 0.000 0.930 343 N CB 2.311 40.843 38.487 0.076 0.000 1.152 343 N HN -0.298 nan 8.380 nan 0.000 0.505 344 P HA -0.110 nan 4.420 nan 0.000 0.220 344 P C 0.997 178.324 177.300 0.045 0.000 1.148 344 P CA 0.873 63.941 63.100 -0.054 0.000 0.803 344 P CB 0.145 31.615 31.700 -0.383 0.000 0.782 345 A N -0.606 122.328 122.820 0.189 0.000 2.042 345 A HA -0.211 4.102 4.320 -0.011 0.000 0.222 345 A C 2.057 179.728 177.584 0.144 0.000 1.167 345 A CA 1.567 53.778 52.037 0.291 0.000 0.649 345 A CB -1.793 17.473 19.000 0.443 0.000 0.809 345 A HN 0.254 nan 8.150 nan 0.000 0.457 346 F N -0.170 119.738 119.950 -0.071 0.000 2.262 346 F HA 0.002 4.523 4.527 -0.011 0.000 0.292 346 F C 2.102 177.735 175.800 -0.277 0.000 1.081 346 F CA 1.494 59.380 58.000 -0.190 0.000 1.355 346 F CB -0.040 38.803 39.000 -0.260 0.000 1.069 346 F HN -0.003 nan 8.300 nan 0.000 0.506 347 V N 0.970 120.753 119.914 -0.219 0.000 2.358 347 V HA -0.231 3.882 4.120 -0.011 0.000 0.246 347 V C 2.792 178.636 176.094 -0.418 0.000 1.047 347 V CA 1.582 63.648 62.300 -0.391 0.000 1.035 347 V CB -1.645 30.161 31.823 -0.029 0.000 0.658 347 V HN 0.469 nan 8.190 nan 0.000 0.452 348 A N 1.413 124.079 122.820 -0.257 0.000 1.873 348 A HA -0.175 4.139 4.320 -0.011 0.000 0.218 348 A C 0.857 178.312 177.584 -0.216 0.000 1.193 348 A CA 2.501 54.416 52.037 -0.204 0.000 0.629 348 A CB -1.988 16.957 19.000 -0.091 0.000 0.826 348 A HN 0.596 nan 8.150 nan 0.000 0.447 349 P HA -0.014 nan 4.420 nan 0.000 0.221 349 P C 1.588 178.712 177.300 -0.292 0.000 1.155 349 P CA 1.287 64.270 63.100 -0.194 0.000 0.812 349 P CB -0.190 31.428 31.700 -0.136 0.000 0.801 350 V N 1.050 120.658 119.914 -0.511 0.000 2.261 350 V HA -0.241 3.872 4.120 -0.011 0.000 0.246 350 V C 2.841 178.737 176.094 -0.330 0.000 1.047 350 V CA 1.697 63.696 62.300 -0.502 0.000 1.015 350 V CB -1.534 29.762 31.823 -0.879 0.000 0.642 350 V HN -0.027 nan 8.190 nan 0.000 0.446 351 L N 0.617 121.565 121.223 -0.459 0.000 2.089 351 L HA -0.172 4.161 4.340 -0.011 0.000 0.213 351 L C 2.601 179.355 176.870 -0.193 0.000 1.079 351 L CA 1.827 56.249 54.840 -0.695 0.000 0.758 351 L CB -1.323 40.024 42.059 -1.188 0.000 0.891 351 L HN 0.482 nan 8.230 nan 0.000 0.433 352 G N 0.285 109.045 108.800 -0.065 0.000 2.604 352 G HA2 -0.264 3.689 3.960 -0.011 0.000 0.216 352 G HA3 -0.264 3.689 3.960 -0.011 0.000 0.216 352 G C 1.520 176.505 174.900 0.143 0.000 1.265 352 G CA 0.802 45.960 45.100 0.097 0.000 0.804 352 G HN 0.255 nan 8.290 nan 0.000 0.579 353 L N -0.255 120.981 121.223 0.022 0.000 2.211 353 L HA -0.156 4.177 4.340 -0.011 0.000 0.216 353 L C 2.787 179.769 176.870 0.186 0.000 1.092 353 L CA 0.242 55.114 54.840 0.052 0.000 0.767 353 L CB -0.351 41.670 42.059 -0.064 0.000 0.894 353 L HN 0.164 nan 8.230 nan 0.000 0.437 354 L N -0.215 121.101 121.223 0.156 0.000 1.950 354 L HA -0.084 4.250 4.340 -0.011 0.000 0.210 354 L C 2.449 179.494 176.870 0.291 0.000 1.079 354 L CA 2.279 57.243 54.840 0.207 0.000 0.754 354 L CB -1.594 40.558 42.059 0.155 0.000 0.889 354 L HN 0.171 nan 8.230 nan 0.000 0.433 355 G N -2.351 106.680 108.800 0.385 0.000 2.708 355 G HA2 -0.283 3.671 3.960 -0.011 0.000 0.210 355 G HA3 -0.283 3.671 3.960 -0.011 0.000 0.210 355 G C 1.323 176.372 174.900 0.248 0.000 1.141 355 G CA -0.044 45.215 45.100 0.265 0.000 0.788 355 G HN 0.330 nan 8.290 nan 0.000 0.531 356 F N 0.583 120.623 119.950 0.150 0.000 2.722 356 F HA 0.211 4.732 4.527 -0.011 0.000 0.298 356 F C 1.929 177.811 175.800 0.136 0.000 1.175 356 F CA 0.263 58.349 58.000 0.144 0.000 1.462 356 F CB 0.104 39.198 39.000 0.157 0.000 1.111 356 F HN 0.128 nan 8.300 nan 0.000 0.592 357 I N 1.363 122.064 120.570 0.218 0.000 2.405 357 I HA -0.075 4.088 4.170 -0.011 0.000 0.236 357 I C -0.303 175.841 176.117 0.045 0.000 1.071 357 I CA 0.462 61.853 61.300 0.152 0.000 1.398 357 I CB -1.384 36.714 38.000 0.163 0.000 1.162 357 I HN -0.101 nan 8.210 nan 0.000 0.432 358 P HA -0.132 nan 4.420 nan 0.000 0.223 358 P C 1.453 178.692 177.300 -0.100 0.000 1.144 358 P CA 1.573 64.620 63.100 -0.089 0.000 0.783 358 P CB -0.229 31.372 31.700 -0.165 0.000 0.771 359 G N 1.293 110.048 108.800 -0.075 0.000 2.701 359 G HA2 -0.257 3.696 3.960 -0.011 0.000 0.215 359 G HA3 -0.257 3.696 3.960 -0.011 0.000 0.215 359 G C 1.879 176.697 174.900 -0.135 0.000 1.297 359 G CA 1.191 46.221 45.100 -0.117 0.000 0.807 359 G HN 0.334 nan 8.290 nan 0.000 0.608 360 G N 0.865 109.503 108.800 -0.270 0.000 2.422 360 G HA2 0.058 4.012 3.960 -0.011 0.000 0.218 360 G HA3 0.058 4.012 3.960 -0.011 0.000 0.218 360 G C 2.055 176.925 174.900 -0.050 0.000 1.146 360 G CA 1.682 46.690 45.100 -0.154 0.000 0.769 360 G HN 0.764 nan 8.290 nan 0.000 0.547 361 A N 1.153 123.960 122.820 -0.021 0.000 1.859 361 A HA 0.072 4.386 4.320 -0.011 0.000 0.217 361 A C 2.800 180.414 177.584 0.051 0.000 1.198 361 A CA 2.348 54.400 52.037 0.025 0.000 0.629 361 A CB -1.383 17.636 19.000 0.032 0.000 0.830 361 A HN 0.663 nan 8.150 nan 0.000 0.446 362 G N -0.822 108.008 108.800 0.050 0.000 2.503 362 G HA2 -0.093 3.860 3.960 -0.011 0.000 0.221 362 G HA3 -0.093 3.860 3.960 -0.011 0.000 0.221 362 G C 1.529 176.395 174.900 -0.056 0.000 1.131 362 G CA 1.564 46.757 45.100 0.155 0.000 0.756 362 G HN 0.832 nan 8.290 nan 0.000 0.572 363 G N 1.317 109.932 108.800 -0.307 0.000 2.587 363 G HA2 -0.245 3.708 3.960 -0.011 0.000 0.217 363 G HA3 -0.245 3.708 3.960 -0.011 0.000 0.217 363 G C 1.743 176.586 174.900 -0.096 0.000 1.240 363 G CA 1.014 45.915 45.100 -0.331 0.000 0.794 363 G HN 0.428 nan 8.290 nan 0.000 0.580 364 I N 0.525 121.085 120.570 -0.017 0.000 2.229 364 I HA -0.270 3.893 4.170 -0.011 0.000 0.250 364 I C 2.759 178.892 176.117 0.026 0.000 1.096 364 I CA 0.837 62.149 61.300 0.020 0.000 1.358 364 I CB -0.478 37.548 38.000 0.042 0.000 1.047 364 I HN 0.077 nan 8.210 nan 0.000 0.422 365 V N 0.897 120.844 119.914 0.055 0.000 2.231 365 V HA -0.357 3.757 4.120 -0.011 0.000 0.239 365 V C 2.103 178.210 176.094 0.022 0.000 1.035 365 V CA 2.459 64.784 62.300 0.041 0.000 0.989 365 V CB -0.966 30.912 31.823 0.092 0.000 0.636 365 V HN 0.428 nan 8.190 nan 0.000 0.457 366 N N 0.441 119.185 118.700 0.073 0.000 2.307 366 N HA -0.279 4.454 4.740 -0.011 0.000 0.201 366 N C 1.328 176.885 175.510 0.079 0.000 0.943 366 N CA 2.213 55.300 53.050 0.062 0.000 0.941 366 N CB -0.514 37.988 38.487 0.026 0.000 1.057 366 N HN 0.638 nan 8.380 nan 0.000 0.601 367 A N -1.367 121.478 122.820 0.043 0.000 2.303 367 A HA 0.256 4.570 4.320 -0.011 0.000 0.217 367 A C 0.999 178.674 177.584 0.151 0.000 1.205 367 A CA -0.140 51.957 52.037 0.100 0.000 0.875 367 A CB 0.260 19.236 19.000 -0.040 0.000 0.910 367 A HN 0.119 nan 8.150 nan 0.000 0.501 368 S N 0.571 116.310 115.700 0.065 0.000 3.811 368 S HA 0.263 4.726 4.470 -0.011 0.000 0.205 368 S C 0.553 175.153 174.600 0.001 0.000 1.445 368 S CA -0.341 57.875 58.200 0.027 0.000 1.097 368 S CB -1.427 61.767 63.200 -0.009 0.000 1.350 368 S HN 0.544 nan 8.310 nan 0.000 0.471 369 F N 1.582 121.359 119.950 -0.287 0.000 2.168 369 F HA -0.518 4.003 4.527 -0.010 0.000 0.206 369 F C 2.509 177.895 175.800 -0.690 0.000 1.313 369 F CA 2.186 59.713 58.000 -0.789 0.000 1.985 369 F CB -1.180 37.512 39.000 -0.513 0.000 0.510 369 F HN 0.516 nan 8.300 nan 0.000 0.289 370 T N -0.756 113.498 114.554 -0.501 0.000 2.904 370 T HA -0.069 4.275 4.350 -0.011 0.000 0.267 370 T C 1.514 176.045 174.700 -0.282 0.000 1.059 370 T CA 1.325 63.117 62.100 -0.512 0.000 1.137 370 T CB -0.618 68.009 68.868 -0.400 0.000 0.879 370 T HN 0.355 nan 8.240 nan 0.000 0.467 371 L N 2.223 123.320 121.223 -0.211 0.000 2.089 371 L HA -0.081 4.253 4.340 -0.011 0.000 0.213 371 L C 2.400 179.152 176.870 -0.197 0.000 1.079 371 L CA 1.888 56.627 54.840 -0.169 0.000 0.758 371 L CB -1.269 40.704 42.059 -0.144 0.000 0.891 371 L HN 0.300 nan 8.230 nan 0.000 0.433 372 D N -1.206 119.061 120.400 -0.221 0.000 2.220 372 D HA -0.279 4.354 4.640 -0.011 0.000 0.198 372 D C 2.046 178.217 176.300 -0.215 0.000 1.001 372 D CA 1.507 55.400 54.000 -0.178 0.000 0.875 372 D CB -0.106 40.672 40.800 -0.038 0.000 0.921 372 D HN 0.489 nan 8.370 nan 0.000 0.454 373 Y N -0.790 119.475 120.300 -0.058 0.000 2.242 373 Y HA -0.128 4.417 4.550 -0.008 0.000 0.291 373 Y C 2.510 178.380 175.900 -0.050 0.000 1.137 373 Y CA 0.496 58.563 58.100 -0.056 0.000 1.181 373 Y CB -0.279 38.108 38.460 -0.121 0.000 0.989 373 Y HN -0.068 nan 8.280 nan 0.000 0.527 374 V N -0.312 119.601 119.914 -0.001 0.000 2.392 374 V HA -0.271 3.842 4.120 -0.011 0.000 0.249 374 V C 1.983 178.003 176.094 -0.124 0.000 1.059 374 V CA 2.030 64.280 62.300 -0.082 0.000 1.051 374 V CB -0.850 30.855 31.823 -0.197 0.000 0.658 374 V HN 0.510 nan 8.190 nan 0.000 0.455 375 V N -3.419 116.393 119.914 -0.170 0.000 3.484 375 V HA 0.332 4.445 4.120 -0.011 0.000 0.252 375 V C 1.153 177.270 176.094 0.039 0.000 1.282 375 V CA 0.060 62.237 62.300 -0.204 0.000 1.104 375 V CB -0.822 30.532 31.823 -0.782 0.000 0.868 375 V HN 0.532 nan 8.190 nan 0.000 0.457 376 H N 3.027 122.095 119.070 -0.003 0.000 3.209 376 H HA 0.043 4.592 4.556 -0.011 0.000 0.297 376 H C 0.645 176.037 175.328 0.107 0.000 0.936 376 H CA 1.616 57.706 56.048 0.069 0.000 1.392 376 H CB -0.282 29.510 29.762 0.051 0.000 1.349 376 H HN 0.560 nan 8.280 nan 0.000 0.568 377 N N 2.227 120.640 118.700 -0.478 0.000 2.688 377 N HA -0.218 4.515 4.740 -0.011 0.000 0.258 377 N C -0.737 174.762 175.510 -0.018 0.000 1.016 377 N CA 1.498 54.412 53.050 -0.228 0.000 0.747 377 N CB -0.968 37.379 38.487 -0.233 0.000 0.895 377 N HN 0.882 nan 8.380 nan 0.000 0.543 378 T N -5.239 109.338 114.554 0.039 0.000 2.831 378 T HA 0.794 5.137 4.350 -0.011 0.000 0.287 378 T C 1.303 176.028 174.700 0.042 0.000 1.070 378 T CA -0.192 61.945 62.100 0.060 0.000 1.010 378 T CB 1.416 70.334 68.868 0.083 0.000 1.264 378 T HN 0.064 nan 8.240 nan 0.000 0.532 379 A N 0.151 122.978 122.820 0.011 0.000 1.997 379 A HA -0.089 4.225 4.320 -0.011 0.000 0.221 379 A C 2.014 179.515 177.584 -0.138 0.000 1.172 379 A CA 1.951 53.912 52.037 -0.127 0.000 0.645 379 A CB -1.594 17.344 19.000 -0.102 0.000 0.813 379 A HN 0.864 nan 8.150 nan 0.000 0.454 380 W N 0.881 122.064 121.300 -0.195 0.000 2.304 380 W HA -0.278 4.377 4.660 -0.009 0.000 0.315 380 W C 1.797 178.125 176.519 -0.319 0.000 1.233 380 W CA 2.775 59.956 57.345 -0.274 0.000 1.261 380 W CB -0.520 28.864 29.460 -0.126 0.000 1.150 380 W HN 0.256 nan 8.180 nan 0.000 0.494 381 V N 2.525 122.456 119.914 0.028 0.000 2.244 381 V HA -0.228 3.885 4.120 -0.011 0.000 0.244 381 V C -0.308 175.460 176.094 -0.543 0.000 1.042 381 V CA 2.536 64.824 62.300 -0.020 0.000 1.006 381 V CB -2.522 29.426 31.823 0.208 0.000 0.641 381 V HN -0.006 nan 8.190 nan 0.000 0.446 382 P HA -0.134 nan 4.420 nan 0.000 0.223 382 P C 1.590 178.356 177.300 -0.891 0.000 1.144 382 P CA 1.975 64.308 63.100 -1.279 0.000 0.783 382 P CB -0.226 31.150 31.700 -0.540 0.000 0.771 383 G N -0.140 108.228 108.800 -0.720 0.000 2.404 383 G HA2 -0.253 3.701 3.960 -0.011 0.000 0.213 383 G HA3 -0.253 3.701 3.960 -0.011 0.000 0.213 383 G C 1.554 176.153 174.900 -0.501 0.000 1.189 383 G CA 0.906 45.626 45.100 -0.633 0.000 0.796 383 G HN 0.291 nan 8.290 nan 0.000 0.532 384 H N 1.896 120.465 119.070 -0.834 0.000 2.255 384 H HA -0.229 4.320 4.556 -0.011 0.000 0.290 384 H C 2.243 177.480 175.328 -0.152 0.000 1.087 384 H CA 2.387 58.193 56.048 -0.404 0.000 1.213 384 H CB -1.034 28.493 29.762 -0.391 0.000 1.349 384 H HN 0.440 nan 8.280 nan 0.000 0.487 385 F N -1.285 118.423 119.950 -0.403 0.000 2.293 385 F HA 0.012 4.532 4.527 -0.011 0.000 0.300 385 F C 2.311 177.996 175.800 -0.191 0.000 1.086 385 F CA 1.142 58.924 58.000 -0.363 0.000 1.375 385 F CB -1.225 37.643 39.000 -0.220 0.000 1.045 385 F HN 0.193 nan 8.300 nan 0.000 0.516 386 H N 1.047 120.043 119.070 -0.123 0.000 2.290 386 H HA -0.125 4.425 4.556 -0.011 0.000 0.298 386 H C 2.122 177.454 175.328 0.007 0.000 1.087 386 H CA 2.326 58.354 56.048 -0.033 0.000 1.291 386 H CB -0.786 28.891 29.762 -0.142 0.000 1.369 386 H HN 0.269 nan 8.280 nan 0.000 0.492 387 L N 0.227 121.498 121.223 0.081 0.000 1.991 387 L HA -0.335 3.998 4.340 -0.011 0.000 0.221 387 L C 2.635 179.579 176.870 0.124 0.000 1.079 387 L CA 1.699 56.590 54.840 0.085 0.000 0.778 387 L CB -0.558 41.533 42.059 0.053 0.000 0.893 387 L HN 0.381 nan 8.230 nan 0.000 0.437 388 Q N -1.007 118.827 119.800 0.056 0.000 2.020 388 Q HA -0.159 4.175 4.340 -0.011 0.000 0.202 388 Q C 2.261 178.369 176.000 0.180 0.000 0.982 388 Q CA 2.037 57.920 55.803 0.134 0.000 0.838 388 Q CB -0.776 27.971 28.738 0.015 0.000 0.899 388 Q HN 0.502 nan 8.270 nan 0.000 0.423 389 V N 0.062 120.042 119.914 0.109 0.000 2.743 389 V HA 0.194 4.307 4.120 -0.011 0.000 0.237 389 V C 2.034 178.112 176.094 -0.027 0.000 1.113 389 V CA 1.182 63.518 62.300 0.061 0.000 1.141 389 V CB -0.236 31.613 31.823 0.044 0.000 0.873 389 V HN 0.257 nan 8.190 nan 0.000 0.486 390 A N -0.619 122.158 122.820 -0.071 0.000 2.032 390 A HA -0.202 4.111 4.320 -0.011 0.000 0.221 390 A C 2.377 180.103 177.584 0.237 0.000 1.165 390 A CA 2.794 54.837 52.037 0.011 0.000 0.645 390 A CB -0.507 18.456 19.000 -0.063 0.000 0.807 390 A HN 0.647 nan 8.150 nan 0.000 0.453 391 S N -2.257 113.556 115.700 0.187 0.000 3.334 391 S HA 0.148 4.611 4.470 -0.011 0.000 0.224 391 S C 1.649 176.358 174.600 0.181 0.000 0.959 391 S CA 0.460 58.815 58.200 0.259 0.000 0.815 391 S CB -0.868 62.489 63.200 0.261 0.000 0.861 391 S HN 0.445 nan 8.310 nan 0.000 0.596 392 L N 2.978 124.329 121.223 0.213 0.000 1.910 392 L HA -0.011 4.323 4.340 -0.011 0.000 0.221 392 L C 2.193 179.102 176.870 0.065 0.000 1.084 392 L CA 2.421 57.358 54.840 0.161 0.000 0.779 392 L CB -1.067 41.138 42.059 0.244 0.000 0.888 392 L HN 0.283 nan 8.230 nan 0.000 0.432 393 V N -0.123 119.834 119.914 0.071 0.000 2.240 393 V HA -0.496 3.617 4.120 -0.011 0.000 0.257 393 V C 2.488 178.532 176.094 -0.084 0.000 1.067 393 V CA 2.778 65.076 62.300 -0.004 0.000 1.067 393 V CB -1.544 30.300 31.823 0.035 0.000 0.683 393 V HN 0.745 nan 8.190 nan 0.000 0.461 394 T N -0.134 114.371 114.554 -0.081 0.000 2.607 394 T HA -0.209 4.134 4.350 -0.011 0.000 0.267 394 T C 1.799 176.353 174.700 -0.244 0.000 1.049 394 T CA 2.220 64.194 62.100 -0.210 0.000 1.162 394 T CB -0.397 68.257 68.868 -0.356 0.000 0.863 394 T HN 0.322 nan 8.240 nan 0.000 0.424 395 L N 0.673 121.782 121.223 -0.189 0.000 2.083 395 L HA -0.115 4.219 4.340 -0.011 0.000 0.209 395 L C 2.874 179.688 176.870 -0.093 0.000 1.083 395 L CA 1.227 55.956 54.840 -0.186 0.000 0.752 395 L CB -0.927 41.078 42.059 -0.091 0.000 0.899 395 L HN 0.326 nan 8.230 nan 0.000 0.433 396 T N -0.267 114.251 114.554 -0.060 0.000 2.684 396 T HA -0.225 4.118 4.350 -0.011 0.000 0.267 396 T C 2.042 176.770 174.700 0.046 0.000 1.036 396 T CA 1.373 63.476 62.100 0.006 0.000 1.148 396 T CB -0.394 68.488 68.868 0.025 0.000 0.863 396 T HN 0.452 nan 8.240 nan 0.000 0.436 397 A N 1.311 124.014 122.820 -0.195 0.000 1.902 397 A HA 0.004 4.317 4.320 -0.011 0.000 0.217 397 A C 2.360 180.072 177.584 0.213 0.000 1.181 397 A CA 1.497 53.350 52.037 -0.307 0.000 0.623 397 A CB -0.754 17.261 19.000 -1.642 0.000 0.818 397 A HN 0.438 nan 8.150 nan 0.000 0.443 398 M N -0.804 118.867 119.600 0.119 0.000 2.279 398 M HA -0.118 4.356 4.480 -0.011 0.000 0.264 398 M C 1.941 178.355 176.300 0.190 0.000 1.062 398 M CA 1.345 56.720 55.300 0.124 0.000 1.099 398 M CB -0.165 32.294 32.600 -0.234 0.000 1.394 398 M HN 0.544 nan 8.290 nan 0.000 0.426 399 G N -2.176 106.722 108.800 0.164 0.000 2.656 399 G HA2 -0.044 3.909 3.960 -0.011 0.000 0.211 399 G HA3 -0.044 3.909 3.960 -0.011 0.000 0.211 399 G C 1.339 176.444 174.900 0.342 0.000 1.137 399 G CA 0.002 45.241 45.100 0.232 0.000 0.802 399 G HN 0.339 nan 8.290 nan 0.000 0.527 400 S N 0.626 116.501 115.700 0.292 0.000 2.537 400 S HA -0.020 4.443 4.470 -0.011 0.000 0.240 400 S C 2.208 176.609 174.600 -0.330 0.000 0.981 400 S CA 0.211 58.499 58.200 0.147 0.000 0.948 400 S CB -0.130 63.247 63.200 0.296 0.000 0.759 400 S HN 0.138 nan 8.310 nan 0.000 0.531 401 L N 0.349 121.504 121.223 -0.113 0.000 2.017 401 L HA -0.026 4.307 4.340 -0.011 0.000 0.208 401 L C 1.313 177.983 176.870 -0.334 0.000 1.073 401 L CA 1.634 56.283 54.840 -0.318 0.000 0.745 401 L CB -1.453 40.345 42.059 -0.435 0.000 0.894 401 L HN 0.417 nan 8.230 nan 0.000 0.432 402 Y N -0.790 119.470 120.300 -0.067 0.000 2.663 402 Y HA -0.199 4.344 4.550 -0.011 0.000 0.342 402 Y C 1.380 177.401 175.900 0.202 0.000 1.224 402 Y CA 0.556 58.695 58.100 0.065 0.000 1.268 402 Y CB -0.617 37.913 38.460 0.117 0.000 1.070 402 Y HN 0.479 nan 8.280 nan 0.000 0.491 403 W N -4.284 117.064 121.300 0.080 0.000 3.014 403 W HA 0.053 4.706 4.660 -0.011 0.000 0.155 403 W C 0.541 177.075 176.519 0.025 0.000 0.823 403 W CA -0.153 57.223 57.345 0.051 0.000 1.258 403 W CB -0.999 28.500 29.460 0.066 0.000 0.588 403 W HN 0.028 nan 8.180 nan 0.000 0.835 404 L N 1.893 122.494 121.223 -1.037 0.000 2.313 404 L HA 0.172 4.505 4.340 -0.011 0.000 0.214 404 L C 2.201 178.845 176.870 -0.378 0.000 1.119 404 L CA 1.397 55.730 54.840 -0.846 0.000 0.809 404 L CB -0.563 40.734 42.059 -1.269 0.000 0.933 404 L HN -0.010 nan 8.230 nan 0.000 0.449 405 L N 0.023 121.040 121.223 -0.344 0.000 2.023 405 L HA 0.007 4.340 4.340 -0.011 0.000 0.205 405 L C -0.437 176.334 176.870 -0.164 0.000 1.073 405 L CA 1.727 56.419 54.840 -0.248 0.000 0.745 405 L CB -1.472 40.405 42.059 -0.304 0.000 0.900 405 L HN 0.145 nan 8.230 nan 0.000 0.435 406 P HA -0.233 nan 4.420 nan 0.000 0.215 406 P C 1.069 178.342 177.300 -0.045 0.000 1.163 406 P CA 1.543 64.606 63.100 -0.062 0.000 0.894 406 P CB -0.210 31.485 31.700 -0.008 0.000 0.791 407 N N -0.855 117.834 118.700 -0.017 0.000 2.635 407 N HA -0.081 4.652 4.740 -0.011 0.000 0.191 407 N C 0.917 176.417 175.510 -0.017 0.000 1.155 407 N CA 0.745 53.802 53.050 0.011 0.000 0.927 407 N CB -0.131 38.405 38.487 0.082 0.000 0.976 407 N HN 0.209 nan 8.380 nan 0.000 0.448 408 L N -1.559 119.626 121.223 -0.063 0.000 3.128 408 L HA 0.091 4.424 4.340 -0.011 0.000 0.277 408 L C 1.566 178.418 176.870 -0.030 0.000 1.171 408 L CA 0.303 55.103 54.840 -0.066 0.000 1.008 408 L CB 0.597 42.558 42.059 -0.164 0.000 1.442 408 L HN 0.106 nan 8.230 nan 0.000 0.584 409 T N -5.218 109.292 114.554 -0.074 0.000 3.321 409 T HA 0.403 4.747 4.350 -0.011 0.000 0.251 409 T C 1.330 175.967 174.700 -0.106 0.000 0.999 409 T CA 0.852 62.893 62.100 -0.099 0.000 1.186 409 T CB 1.294 70.105 68.868 -0.096 0.000 1.163 409 T HN 0.120 nan 8.240 nan 0.000 0.399 410 G N 1.799 110.550 108.800 -0.082 0.000 2.480 410 G HA2 -0.090 3.863 3.960 -0.011 0.000 0.193 410 G HA3 -0.090 3.863 3.960 -0.011 0.000 0.193 410 G C -0.116 174.751 174.900 -0.056 0.000 1.004 410 G CA -0.262 44.799 45.100 -0.064 0.000 0.696 410 G HN 0.662 nan 8.290 nan 0.000 0.478 411 K N 2.380 122.738 120.400 -0.069 0.000 2.402 411 K HA 0.295 4.608 4.320 -0.011 0.000 0.279 411 K C -2.422 174.146 176.600 -0.055 0.000 1.082 411 K CA -0.686 55.563 56.287 -0.063 0.000 1.080 411 K CB 1.045 33.496 32.500 -0.082 0.000 0.899 411 K HN 0.277 nan 8.250 nan 0.000 0.469 412 P HA 0.237 nan 4.420 nan 0.000 0.289 412 P C -0.217 177.078 177.300 -0.008 0.000 1.299 412 P CA -0.729 62.365 63.100 -0.011 0.000 0.766 412 P CB 0.455 32.160 31.700 0.007 0.000 1.226 413 I N 0.190 120.775 120.570 0.025 0.000 2.297 413 I HA 0.119 4.283 4.170 -0.011 0.000 0.291 413 I C 0.437 176.591 176.117 0.063 0.000 1.033 413 I CA 0.307 61.635 61.300 0.048 0.000 1.253 413 I CB 0.034 38.099 38.000 0.108 0.000 1.396 413 I HN 0.247 nan 8.210 nan 0.000 0.476 414 S N 2.600 118.328 115.700 0.047 0.000 2.562 414 S HA 0.015 4.478 4.470 -0.011 0.000 0.281 414 S C 0.889 175.532 174.600 0.072 0.000 1.333 414 S CA -0.565 57.664 58.200 0.047 0.000 1.052 414 S CB 0.643 63.862 63.200 0.032 0.000 0.884 414 S HN 0.704 nan 8.310 nan 0.000 0.506 415 D N 2.031 122.468 120.400 0.063 0.000 2.384 415 D HA -0.011 4.622 4.640 -0.011 0.000 0.222 415 D C 1.656 178.002 176.300 0.077 0.000 0.976 415 D CA 1.088 55.130 54.000 0.070 0.000 0.915 415 D CB -0.260 40.573 40.800 0.055 0.000 0.896 415 D HN 0.689 nan 8.370 nan 0.000 0.523 416 A N 0.227 123.092 122.820 0.076 0.000 1.821 416 A HA -0.250 4.063 4.320 -0.011 0.000 0.215 416 A C 2.061 179.721 177.584 0.127 0.000 1.216 416 A CA 1.667 53.759 52.037 0.092 0.000 0.615 416 A CB -0.966 18.080 19.000 0.077 0.000 0.862 416 A HN 0.289 nan 8.150 nan 0.000 0.450 417 Q N -0.906 118.973 119.800 0.130 0.000 2.103 417 Q HA -0.320 4.013 4.340 -0.011 0.000 0.213 417 Q C 2.368 178.539 176.000 0.285 0.000 1.008 417 Q CA 2.445 58.363 55.803 0.192 0.000 0.879 417 Q CB -0.397 28.421 28.738 0.132 0.000 0.946 417 Q HN 0.668 nan 8.270 nan 0.000 0.413 418 R N 0.805 121.444 120.500 0.230 0.000 2.094 418 R HA -0.200 4.133 4.340 -0.011 0.000 0.239 418 R C 2.099 178.458 176.300 0.100 0.000 1.137 418 R CA 1.990 58.205 56.100 0.191 0.000 0.943 418 R CB -0.203 30.182 30.300 0.143 0.000 0.850 418 R HN 0.122 nan 8.270 nan 0.000 0.433 419 R N 0.134 120.699 120.500 0.108 0.000 2.235 419 R HA -0.042 4.291 4.340 -0.011 0.000 0.213 419 R C 2.218 178.576 176.300 0.098 0.000 1.059 419 R CA 0.627 56.779 56.100 0.088 0.000 0.997 419 R CB -0.039 30.308 30.300 0.078 0.000 0.884 419 R HN 0.316 nan 8.270 nan 0.000 0.462 420 L N -0.962 120.341 121.223 0.134 0.000 2.121 420 L HA 0.216 4.549 4.340 -0.011 0.000 0.200 420 L C 2.126 179.074 176.870 0.130 0.000 1.077 420 L CA 1.696 56.633 54.840 0.162 0.000 0.766 420 L CB -0.855 41.349 42.059 0.243 0.000 0.931 420 L HN 0.162 nan 8.230 nan 0.000 0.452 421 G N 1.072 109.934 108.800 0.103 0.000 2.805 421 G HA2 -0.377 3.576 3.960 -0.011 0.000 0.227 421 G HA3 -0.377 3.576 3.960 -0.011 0.000 0.227 421 G C 1.226 175.931 174.900 -0.324 0.000 1.143 421 G CA 2.106 46.891 45.100 -0.525 0.000 0.759 421 G HN 0.566 nan 8.290 nan 0.000 0.634 422 L N -1.946 119.219 121.223 -0.097 0.000 2.693 422 L HA 0.795 5.128 4.340 -0.011 0.000 0.235 422 L C 2.341 179.364 176.870 0.255 0.000 1.127 422 L CA 0.857 55.748 54.840 0.084 0.000 0.914 422 L CB 0.043 42.195 42.059 0.156 0.000 1.193 422 L HN 0.129 nan 8.230 nan 0.000 0.502 423 A N 0.596 123.526 122.820 0.183 0.000 1.861 423 A HA 0.040 4.353 4.320 -0.011 0.000 0.212 423 A C 2.176 179.905 177.584 0.242 0.000 1.199 423 A CA 1.466 53.631 52.037 0.214 0.000 0.613 423 A CB -0.840 18.237 19.000 0.128 0.000 0.846 423 A HN 0.122 nan 8.150 nan 0.000 0.446 424 V N 0.021 120.062 119.914 0.213 0.000 2.257 424 V HA -0.358 3.755 4.120 -0.011 0.000 0.257 424 V C 2.503 178.755 176.094 0.263 0.000 1.077 424 V CA 2.496 64.954 62.300 0.263 0.000 1.063 424 V CB -1.255 30.757 31.823 0.314 0.000 0.664 424 V HN 0.347 nan 8.190 nan 0.000 0.450 425 V N -1.929 118.094 119.914 0.181 0.000 2.358 425 V HA -0.246 3.867 4.120 -0.011 0.000 0.246 425 V C 2.052 178.245 176.094 0.164 0.000 1.047 425 V CA 2.257 64.617 62.300 0.101 0.000 1.035 425 V CB -0.642 31.161 31.823 -0.034 0.000 0.658 425 V HN 0.670 nan 8.190 nan 0.000 0.452 426 W N -0.369 121.031 121.300 0.166 0.000 2.519 426 W HA 0.004 4.657 4.660 -0.011 0.000 0.266 426 W C 2.145 178.797 176.519 0.221 0.000 1.253 426 W CA 0.747 58.210 57.345 0.196 0.000 1.274 426 W CB -0.252 29.287 29.460 0.132 0.000 1.114 426 W HN 0.202 nan 8.180 nan 0.000 0.596 427 L N -1.684 119.775 121.223 0.393 0.000 2.049 427 L HA -0.146 4.187 4.340 -0.011 0.000 0.203 427 L C 2.421 179.435 176.870 0.240 0.000 1.074 427 L CA 0.844 55.847 54.840 0.272 0.000 0.749 427 L CB -1.336 40.839 42.059 0.194 0.000 0.907 427 L HN 0.095 nan 8.230 nan 0.000 0.439 428 W N 1.361 122.718 121.300 0.095 0.000 2.289 428 W HA -0.394 4.259 4.660 -0.011 0.000 0.331 428 W C 2.676 179.227 176.519 0.053 0.000 1.283 428 W CA 2.480 59.852 57.345 0.044 0.000 1.252 428 W CB -0.855 28.614 29.460 0.015 0.000 1.153 428 W HN 0.175 nan 8.180 nan 0.000 0.467 429 F N 0.882 120.975 119.950 0.237 0.000 2.063 429 F HA -0.324 4.196 4.527 -0.011 0.000 0.298 429 F C 2.261 178.090 175.800 0.048 0.000 1.109 429 F CA 2.489 60.538 58.000 0.082 0.000 1.212 429 F CB -1.080 37.879 39.000 -0.069 0.000 0.973 429 F HN -0.178 nan 8.300 nan 0.000 0.480 430 L N 0.887 122.196 121.223 0.143 0.000 1.955 430 L HA -0.099 4.234 4.340 -0.011 0.000 0.213 430 L C 2.929 179.713 176.870 -0.144 0.000 1.072 430 L CA 2.179 57.017 54.840 -0.005 0.000 0.755 430 L CB -1.835 40.322 42.059 0.163 0.000 0.888 430 L HN 0.341 nan 8.230 nan 0.000 0.432 431 G N -0.550 108.186 108.800 -0.105 0.000 2.802 431 G HA2 -0.403 3.550 3.960 -0.011 0.000 0.222 431 G HA3 -0.403 3.550 3.960 -0.011 0.000 0.222 431 G C 1.525 176.270 174.900 -0.258 0.000 1.248 431 G CA 1.605 46.587 45.100 -0.196 0.000 0.787 431 G HN 0.272 nan 8.290 nan 0.000 0.643 432 M N -0.637 118.778 119.600 -0.309 0.000 2.147 432 M HA -0.188 4.285 4.480 -0.011 0.000 0.253 432 M C 2.643 178.794 176.300 -0.248 0.000 1.075 432 M CA 1.680 56.826 55.300 -0.256 0.000 1.085 432 M CB -1.279 31.218 32.600 -0.172 0.000 1.305 432 M HN 0.236 nan 8.290 nan 0.000 0.409 433 M N 0.341 119.719 119.600 -0.370 0.000 2.180 433 M HA -0.168 4.305 4.480 -0.011 0.000 0.260 433 M C 2.250 178.454 176.300 -0.160 0.000 1.071 433 M CA 1.750 56.860 55.300 -0.318 0.000 1.096 433 M CB -1.275 31.069 32.600 -0.427 0.000 1.276 433 M HN 0.220 nan 8.290 nan 0.000 0.426 434 I N -0.990 119.485 120.570 -0.158 0.000 2.145 434 I HA -0.398 3.766 4.170 -0.011 0.000 0.244 434 I C 2.578 178.699 176.117 0.007 0.000 1.075 434 I CA 1.932 63.179 61.300 -0.089 0.000 1.332 434 I CB -0.907 36.979 38.000 -0.190 0.000 1.033 434 I HN 0.409 nan 8.210 nan 0.000 0.410 435 M N 1.081 120.627 119.600 -0.091 0.000 2.065 435 M HA -0.231 4.242 4.480 -0.011 0.000 0.259 435 M C 2.585 178.832 176.300 -0.088 0.000 1.071 435 M CA 2.475 57.706 55.300 -0.116 0.000 1.109 435 M CB -0.241 32.222 32.600 -0.228 0.000 1.313 435 M HN 0.278 nan 8.290 nan 0.000 0.408 436 A N -0.203 122.563 122.820 -0.090 0.000 1.894 436 A HA -0.258 4.056 4.320 -0.011 0.000 0.220 436 A C 2.036 179.680 177.584 0.101 0.000 1.237 436 A CA 2.788 54.830 52.037 0.007 0.000 0.660 436 A CB -1.611 17.372 19.000 -0.027 0.000 0.835 436 A HN 0.491 nan 8.150 nan 0.000 0.461 437 V N -0.339 119.651 119.914 0.125 0.000 2.343 437 V HA -0.151 3.962 4.120 -0.011 0.000 0.247 437 V C 2.807 179.060 176.094 0.265 0.000 1.051 437 V CA 2.015 64.452 62.300 0.228 0.000 1.036 437 V CB -1.728 30.325 31.823 0.384 0.000 0.654 437 V HN 0.674 nan 8.190 nan 0.000 0.451 438 G N 0.198 109.145 108.800 0.244 0.000 2.453 438 G HA2 -0.213 3.740 3.960 -0.011 0.000 0.215 438 G HA3 -0.213 3.740 3.960 -0.011 0.000 0.215 438 G C 1.478 176.409 174.900 0.052 0.000 1.201 438 G CA 1.010 46.174 45.100 0.106 0.000 0.784 438 G HN 0.307 nan 8.290 nan 0.000 0.545 439 L N 0.716 121.919 121.223 -0.033 0.000 1.978 439 L HA -0.165 4.168 4.340 -0.011 0.000 0.218 439 L C 2.594 179.447 176.870 -0.029 0.000 1.075 439 L CA 2.130 56.887 54.840 -0.139 0.000 0.767 439 L CB -1.547 40.316 42.059 -0.327 0.000 0.890 439 L HN 0.349 nan 8.230 nan 0.000 0.434 440 H N -2.925 116.112 119.070 -0.055 0.000 2.321 440 H HA -0.244 4.306 4.556 -0.011 0.000 0.300 440 H C 1.840 177.348 175.328 0.300 0.000 1.087 440 H CA 2.129 58.172 56.048 -0.009 0.000 1.319 440 H CB -0.329 29.282 29.762 -0.251 0.000 1.379 440 H HN 0.371 nan 8.280 nan 0.000 0.501 441 W N 1.681 123.068 121.300 0.145 0.000 2.335 441 W HA -0.189 4.464 4.660 -0.012 0.000 0.311 441 W C 2.566 179.126 176.519 0.068 0.000 1.213 441 W CA 1.861 59.255 57.345 0.082 0.000 1.274 441 W CB -0.959 28.476 29.460 -0.043 0.000 1.148 441 W HN 0.215 nan 8.180 nan 0.000 0.498 442 A N 0.594 123.519 122.820 0.175 0.000 1.865 442 A HA -0.103 4.210 4.320 -0.011 0.000 0.217 442 A C 2.376 180.027 177.584 0.111 0.000 1.191 442 A CA 2.679 54.742 52.037 0.045 0.000 0.623 442 A CB -1.640 17.375 19.000 0.025 0.000 0.826 442 A HN 0.358 nan 8.150 nan 0.000 0.444 443 G N -0.374 108.515 108.800 0.149 0.000 2.469 443 G HA2 -0.222 3.731 3.960 -0.011 0.000 0.219 443 G HA3 -0.222 3.731 3.960 -0.011 0.000 0.219 443 G C 1.525 176.540 174.900 0.192 0.000 1.150 443 G CA 1.136 46.340 45.100 0.173 0.000 0.763 443 G HN 0.439 nan 8.290 nan 0.000 0.561 444 L N -0.232 121.157 121.223 0.275 0.000 2.275 444 L HA 0.146 4.479 4.340 -0.011 0.000 0.215 444 L C 2.537 179.504 176.870 0.161 0.000 1.119 444 L CA 0.268 55.228 54.840 0.200 0.000 0.790 444 L CB -0.036 42.168 42.059 0.243 0.000 0.919 444 L HN 0.204 nan 8.230 nan 0.000 0.443 445 L N -1.144 120.188 121.223 0.182 0.000 2.477 445 L HA 0.062 4.396 4.340 -0.011 0.000 0.220 445 L C 0.418 177.361 176.870 0.123 0.000 1.106 445 L CA 0.506 55.438 54.840 0.153 0.000 0.851 445 L CB 0.007 42.147 42.059 0.135 0.000 0.994 445 L HN 0.432 nan 8.230 nan 0.000 0.462 446 N N -2.293 116.462 118.700 0.092 0.000 3.120 446 N HA -0.121 4.612 4.740 -0.011 0.000 0.222 446 N C -0.240 175.258 175.510 -0.021 0.000 0.986 446 N CA -0.308 52.781 53.050 0.065 0.000 0.993 446 N CB -0.906 37.640 38.487 0.097 0.000 1.068 446 N HN -0.083 nan 8.380 nan 0.000 0.535 447 V N 2.600 122.453 119.914 -0.102 0.000 2.493 447 V HA 0.121 4.234 4.120 -0.011 0.000 0.292 447 V C -1.279 174.703 176.094 -0.187 0.000 1.016 447 V CA -0.256 61.812 62.300 -0.386 0.000 1.097 447 V CB -0.121 31.546 31.823 -0.261 0.000 0.947 447 V HN 0.059 nan 8.190 nan 0.000 0.479 448 P HA 0.219 nan 4.420 nan 0.000 0.273 448 P C -0.556 176.792 177.300 0.081 0.000 1.250 448 P CA -0.460 62.620 63.100 -0.033 0.000 0.793 448 P CB 0.785 32.479 31.700 -0.010 0.000 1.011 449 R N -0.305 120.269 120.500 0.123 0.000 2.797 449 R HA 0.629 4.962 4.340 -0.011 0.000 0.251 449 R C -0.190 176.251 176.300 0.235 0.000 1.107 449 R CA -1.021 55.201 56.100 0.204 0.000 1.084 449 R CB 0.275 30.635 30.300 0.101 0.000 1.205 449 R HN 0.160 nan 8.270 nan 0.000 0.515 450 R N -1.365 119.307 120.500 0.287 0.000 3.336 450 R HA -0.183 4.150 4.340 -0.011 0.000 0.260 450 R C -1.473 174.947 176.300 0.201 0.000 1.032 450 R CA 1.015 57.279 56.100 0.273 0.000 0.693 450 R CB -1.778 28.682 30.300 0.267 0.000 1.134 450 R HN 0.741 nan 8.270 nan 0.000 0.433 451 A N 0.264 123.118 122.820 0.056 0.000 2.437 451 A HA 0.340 4.653 4.320 -0.011 0.000 0.293 451 A C -1.001 176.249 177.584 -0.556 0.000 1.038 451 A CA -0.563 51.382 52.037 -0.153 0.000 0.708 451 A CB 0.975 19.939 19.000 -0.061 0.000 1.251 451 A HN 0.384 nan 8.150 nan 0.000 0.409 452 Y N 5.067 124.825 120.300 -0.903 0.000 2.734 452 Y HA 0.195 4.738 4.550 -0.011 0.000 0.353 452 Y C 1.091 176.610 175.900 -0.636 0.000 1.244 452 Y CA -0.226 57.123 58.100 -1.253 0.000 1.950 452 Y CB -0.169 37.555 38.460 -1.226 0.000 2.028 452 Y HN 0.718 nan 8.280 nan 0.000 0.421 453 I N -0.352 119.962 120.570 -0.428 0.000 3.176 453 I HA -0.048 4.115 4.170 -0.011 0.000 0.275 453 I C 1.885 177.885 176.117 -0.194 0.000 1.298 453 I CA 1.005 62.147 61.300 -0.264 0.000 1.445 453 I CB -0.208 37.609 38.000 -0.304 0.000 1.075 453 I HN 0.415 nan 8.210 nan 0.000 0.482 454 A N 0.951 123.665 122.820 -0.177 0.000 2.067 454 A HA -0.188 4.125 4.320 -0.011 0.000 0.219 454 A C 2.358 179.808 177.584 -0.224 0.000 1.158 454 A CA 1.589 53.566 52.037 -0.099 0.000 0.661 454 A CB -0.434 18.636 19.000 0.117 0.000 0.801 454 A HN 0.678 nan 8.150 nan 0.000 0.452 455 Q N -0.285 119.252 119.800 -0.438 0.000 2.281 455 Q HA 0.169 4.502 4.340 -0.011 0.000 0.215 455 Q C 0.028 175.847 176.000 -0.302 0.000 0.867 455 Q CA 0.651 56.160 55.803 -0.492 0.000 0.940 455 Q CB 0.642 28.792 28.738 -0.979 0.000 1.111 455 Q HN 0.562 nan 8.270 nan 0.000 0.513 456 V N -1.263 118.510 119.914 -0.236 0.000 2.326 456 V HA 0.487 4.600 4.120 -0.011 0.000 0.254 456 V C -2.674 173.323 176.094 -0.162 0.000 1.022 456 V CA -1.743 60.451 62.300 -0.178 0.000 1.074 456 V CB 0.862 32.592 31.823 -0.156 0.000 1.305 456 V HN 0.011 nan 8.190 nan 0.000 0.506 457 P HA 0.333 nan 4.420 nan 0.000 0.253 457 P C 0.122 177.357 177.300 -0.109 0.000 1.459 457 P CA 0.403 63.439 63.100 -0.108 0.000 0.908 457 P CB 0.078 31.724 31.700 -0.091 0.000 1.470 458 D N -1.107 119.203 120.400 -0.151 0.000 2.539 458 D HA 0.145 4.779 4.640 -0.011 0.000 0.232 458 D C 1.402 177.551 176.300 -0.251 0.000 1.256 458 D CA -0.081 53.825 54.000 -0.157 0.000 0.810 458 D CB 0.568 41.288 40.800 -0.133 0.000 1.090 458 D HN 0.053 nan 8.370 nan 0.000 0.519 459 A N 0.480 123.069 122.820 -0.385 0.000 1.972 459 A HA -0.153 4.160 4.320 -0.011 0.000 0.219 459 A C 0.779 177.857 177.584 -0.843 0.000 1.169 459 A CA 1.032 52.639 52.037 -0.716 0.000 0.635 459 A CB -0.546 17.826 19.000 -1.046 0.000 0.810 459 A HN 0.254 nan 8.150 nan 0.000 0.446 460 Y N -0.559 119.680 120.300 -0.103 0.000 2.602 460 Y HA 0.264 4.807 4.550 -0.012 0.000 0.373 460 Y C -1.519 174.329 175.900 -0.087 0.000 0.960 460 Y CA -1.845 56.202 58.100 -0.088 0.000 1.281 460 Y CB 0.592 39.004 38.460 -0.080 0.000 1.308 460 Y HN 0.291 nan 8.280 nan 0.000 0.595 461 P HA -0.138 nan 4.420 nan 0.000 0.225 461 P C 0.886 178.207 177.300 0.035 0.000 1.156 461 P CA 1.446 64.511 63.100 -0.058 0.000 0.787 461 P CB 0.446 32.064 31.700 -0.137 0.000 0.802 462 H N 0.135 119.199 119.070 -0.009 0.000 2.556 462 H HA 0.308 4.857 4.556 -0.012 0.000 0.268 462 H C 1.167 176.447 175.328 -0.079 0.000 0.996 462 H CA 0.111 56.145 56.048 -0.023 0.000 1.157 462 H CB -0.365 29.403 29.762 0.011 0.000 1.355 462 H HN 0.100 nan 8.280 nan 0.000 0.597 463 A N 0.039 122.874 122.820 0.026 0.000 2.833 463 A HA 0.538 4.851 4.320 -0.011 0.000 0.293 463 A C 2.012 179.487 177.584 -0.181 0.000 1.338 463 A CA 0.448 52.401 52.037 -0.140 0.000 0.959 463 A CB -0.426 18.535 19.000 -0.065 0.000 1.094 463 A HN 0.321 nan 8.150 nan 0.000 0.569 464 A N 0.203 122.935 122.820 -0.147 0.000 1.829 464 A HA -0.066 4.247 4.320 -0.011 0.000 0.216 464 A C 2.275 179.737 177.584 -0.204 0.000 1.207 464 A CA 2.246 54.208 52.037 -0.125 0.000 0.622 464 A CB -1.244 17.713 19.000 -0.073 0.000 0.846 464 A HN 1.407 nan 8.150 nan 0.000 0.447 465 V N -1.837 117.896 119.914 -0.303 0.000 2.427 465 V HA -0.074 4.039 4.120 -0.011 0.000 0.248 465 V C -0.209 175.567 176.094 -0.530 0.000 1.051 465 V CA 1.900 64.006 62.300 -0.323 0.000 1.048 465 V CB -1.889 29.763 31.823 -0.284 0.000 0.666 465 V HN 0.459 nan 8.190 nan 0.000 0.456 466 P HA -0.096 nan 4.420 nan 0.000 0.219 466 P C 2.056 179.186 177.300 -0.285 0.000 1.150 466 P CA 1.645 64.259 63.100 -0.810 0.000 0.814 466 P CB -0.127 30.944 31.700 -1.048 0.000 0.787 467 M N -0.502 118.969 119.600 -0.215 0.000 2.144 467 M HA -0.150 4.324 4.480 -0.011 0.000 0.260 467 M C 1.983 178.288 176.300 0.009 0.000 1.067 467 M CA 1.613 56.875 55.300 -0.064 0.000 1.095 467 M CB -0.798 31.771 32.600 -0.051 0.000 1.365 467 M HN -0.243 nan 8.290 nan 0.000 0.406 468 V N -0.394 119.531 119.914 0.017 0.000 2.282 468 V HA -0.296 3.817 4.120 -0.011 0.000 0.249 468 V C 2.058 178.270 176.094 0.197 0.000 1.057 468 V CA 1.875 64.234 62.300 0.098 0.000 1.032 468 V CB -0.993 30.904 31.823 0.124 0.000 0.645 468 V HN 0.307 nan 8.190 nan 0.000 0.447 469 F N 1.461 121.380 119.950 -0.051 0.000 2.161 469 F HA -0.147 4.373 4.527 -0.010 0.000 0.300 469 F C 2.391 178.162 175.800 -0.049 0.000 1.089 469 F CA 1.339 59.319 58.000 -0.032 0.000 1.282 469 F CB -1.046 37.953 39.000 -0.002 0.000 1.010 469 F HN 0.309 nan 8.300 nan 0.000 0.485 470 N N 0.106 118.891 118.700 0.141 0.000 2.216 470 N HA -0.110 4.623 4.740 -0.011 0.000 0.183 470 N C 2.018 177.535 175.510 0.012 0.000 1.017 470 N CA 1.388 54.465 53.050 0.045 0.000 0.861 470 N CB -0.486 38.026 38.487 0.042 0.000 0.986 470 N HN 0.147 nan 8.380 nan 0.000 0.428 471 V N 2.754 122.685 119.914 0.029 0.000 2.252 471 V HA -0.241 3.873 4.120 -0.011 0.000 0.249 471 V C 2.534 178.611 176.094 -0.028 0.000 1.056 471 V CA 1.482 63.786 62.300 0.006 0.000 1.022 471 V CB -0.748 31.086 31.823 0.017 0.000 0.641 471 V HN 0.280 nan 8.190 nan 0.000 0.445 472 L N -0.338 120.868 121.223 -0.029 0.000 2.042 472 L HA -0.235 4.099 4.340 -0.011 0.000 0.210 472 L C 2.601 179.415 176.870 -0.093 0.000 1.076 472 L CA 1.851 56.649 54.840 -0.070 0.000 0.749 472 L CB -0.548 41.445 42.059 -0.110 0.000 0.893 472 L HN 0.407 nan 8.230 nan 0.000 0.432 473 A N -0.321 122.444 122.820 -0.092 0.000 1.877 473 A HA -0.160 4.153 4.320 -0.011 0.000 0.216 473 A C 2.304 179.802 177.584 -0.144 0.000 1.186 473 A CA 1.687 53.648 52.037 -0.126 0.000 0.620 473 A CB -1.386 17.539 19.000 -0.125 0.000 0.822 473 A HN 0.511 nan 8.150 nan 0.000 0.443 474 G N 0.355 109.081 108.800 -0.124 0.000 2.446 474 G HA2 -0.231 3.722 3.960 -0.011 0.000 0.217 474 G HA3 -0.231 3.722 3.960 -0.011 0.000 0.217 474 G C 1.512 176.315 174.900 -0.162 0.000 1.168 474 G CA 1.244 46.254 45.100 -0.149 0.000 0.771 474 G HN 0.537 nan 8.290 nan 0.000 0.551 475 I N 0.298 120.792 120.570 -0.127 0.000 2.163 475 I HA -0.175 3.989 4.170 -0.011 0.000 0.243 475 I C 2.701 178.756 176.117 -0.103 0.000 1.085 475 I CA 0.676 61.907 61.300 -0.113 0.000 1.347 475 I CB -0.647 37.303 38.000 -0.082 0.000 1.044 475 I HN 0.036 nan 8.210 nan 0.000 0.408 476 V N 1.274 121.127 119.914 -0.102 0.000 2.283 476 V HA -0.210 3.903 4.120 -0.011 0.000 0.243 476 V C 2.446 178.485 176.094 -0.091 0.000 1.039 476 V CA 1.616 63.868 62.300 -0.080 0.000 1.016 476 V CB -0.490 31.284 31.823 -0.082 0.000 0.650 476 V HN 0.354 nan 8.190 nan 0.000 0.449 477 L N -0.568 120.558 121.223 -0.161 0.000 2.187 477 L HA -0.201 4.132 4.340 -0.011 0.000 0.213 477 L C 2.387 179.181 176.870 -0.127 0.000 1.100 477 L CA 1.160 55.867 54.840 -0.220 0.000 0.765 477 L CB -0.525 41.291 42.059 -0.405 0.000 0.904 477 L HN 0.345 nan 8.230 nan 0.000 0.437 478 L N -0.406 120.740 121.223 -0.127 0.000 1.961 478 L HA -0.227 4.106 4.340 -0.011 0.000 0.210 478 L C 2.605 179.459 176.870 -0.028 0.000 1.072 478 L CA 1.544 56.318 54.840 -0.110 0.000 0.749 478 L CB -0.168 41.790 42.059 -0.169 0.000 0.889 478 L HN 0.004 nan 8.230 nan 0.000 0.432 479 V N 0.618 120.515 119.914 -0.028 0.000 2.223 479 V HA -0.448 3.666 4.120 -0.011 0.000 0.253 479 V C 2.812 178.947 176.094 0.069 0.000 1.061 479 V CA 2.333 64.635 62.300 0.004 0.000 1.035 479 V CB -1.425 30.393 31.823 -0.008 0.000 0.653 479 V HN 0.684 nan 8.190 nan 0.000 0.454 480 A N -0.415 122.465 122.820 0.100 0.000 1.909 480 A HA -0.330 3.984 4.320 -0.011 0.000 0.221 480 A C 2.205 179.992 177.584 0.338 0.000 1.223 480 A CA 2.804 54.975 52.037 0.223 0.000 0.658 480 A CB -0.862 18.281 19.000 0.238 0.000 0.831 480 A HN 0.527 nan 8.150 nan 0.000 0.462 481 L N -0.346 121.054 121.223 0.295 0.000 2.046 481 L HA -0.137 4.196 4.340 -0.011 0.000 0.208 481 L C 2.407 179.471 176.870 0.323 0.000 1.077 481 L CA 1.806 56.878 54.840 0.387 0.000 0.747 481 L CB -0.388 41.837 42.059 0.277 0.000 0.896 481 L HN 0.483 nan 8.230 nan 0.000 0.432 482 L N -1.498 119.837 121.223 0.188 0.000 1.961 482 L HA -0.258 4.075 4.340 -0.011 0.000 0.210 482 L C 2.544 179.518 176.870 0.174 0.000 1.072 482 L CA 1.494 56.419 54.840 0.142 0.000 0.749 482 L CB -0.942 41.155 42.059 0.063 0.000 0.889 482 L HN 0.228 nan 8.230 nan 0.000 0.432 483 L N -0.873 120.428 121.223 0.130 0.000 2.054 483 L HA -0.333 4.000 4.340 -0.011 0.000 0.220 483 L C 2.583 179.616 176.870 0.271 0.000 1.081 483 L CA 1.847 56.767 54.840 0.133 0.000 0.780 483 L CB -0.568 41.554 42.059 0.105 0.000 0.893 483 L HN 0.164 nan 8.230 nan 0.000 0.438 484 F N 0.332 120.398 119.950 0.194 0.000 2.046 484 F HA -0.252 4.268 4.527 -0.011 0.000 0.297 484 F C 2.225 178.152 175.800 0.212 0.000 1.123 484 F CA 1.842 59.956 58.000 0.190 0.000 1.199 484 F CB -0.345 38.746 39.000 0.153 0.000 0.972 484 F HN -0.064 nan 8.300 nan 0.000 0.474 485 I N -0.683 119.995 120.570 0.179 0.000 2.091 485 I HA -0.380 3.783 4.170 -0.011 0.000 0.239 485 I C 2.347 178.514 176.117 0.084 0.000 1.061 485 I CA 2.167 63.525 61.300 0.097 0.000 1.317 485 I CB -1.307 36.769 38.000 0.127 0.000 1.031 485 I HN 0.262 nan 8.210 nan 0.000 0.401 486 Y N 1.725 122.021 120.300 -0.006 0.000 2.144 486 Y HA -0.372 4.171 4.550 -0.011 0.000 0.277 486 Y C 2.268 178.169 175.900 0.003 0.000 1.229 486 Y CA 2.064 60.165 58.100 0.002 0.000 1.144 486 Y CB -0.535 37.937 38.460 0.020 0.000 0.953 486 Y HN 0.171 nan 8.280 nan 0.000 0.515 487 G N -1.262 107.602 108.800 0.107 0.000 2.709 487 G HA2 -0.068 3.886 3.960 -0.011 0.000 0.208 487 G HA3 -0.068 3.886 3.960 -0.011 0.000 0.208 487 G C 1.282 176.065 174.900 -0.195 0.000 1.129 487 G CA 0.461 45.570 45.100 0.015 0.000 0.793 487 G HN 0.432 nan 8.290 nan 0.000 0.524 488 L N -0.219 120.747 121.223 -0.429 0.000 2.056 488 L HA 0.282 4.615 4.340 -0.011 0.000 0.207 488 L C 2.338 178.990 176.870 -0.363 0.000 1.078 488 L CA 1.538 56.043 54.840 -0.558 0.000 0.749 488 L CB -0.702 40.880 42.059 -0.796 0.000 0.901 488 L HN 0.137 nan 8.230 nan 0.000 0.433 489 F N 0.145 119.919 119.950 -0.292 0.000 2.202 489 F HA -0.239 4.281 4.527 -0.011 0.000 0.301 489 F C 2.898 178.578 175.800 -0.200 0.000 1.082 489 F CA 1.822 59.699 58.000 -0.205 0.000 1.313 489 F CB -0.695 38.211 39.000 -0.157 0.000 1.024 489 F HN 0.392 nan 8.300 nan 0.000 0.495 490 S N -0.641 114.995 115.700 -0.106 0.000 2.453 490 S HA -0.071 4.392 4.470 -0.011 0.000 0.231 490 S C 1.675 176.183 174.600 -0.152 0.000 1.005 490 S CA 1.272 59.390 58.200 -0.136 0.000 0.949 490 S CB -0.610 62.490 63.200 -0.168 0.000 0.774 490 S HN 0.102 nan 8.310 nan 0.000 0.510 491 V N 1.060 120.849 119.914 -0.209 0.000 3.471 491 V HA 0.256 4.369 4.120 -0.011 0.000 0.258 491 V C 1.620 177.579 176.094 -0.225 0.000 1.192 491 V CA 0.502 62.669 62.300 -0.222 0.000 1.116 491 V CB -0.586 31.061 31.823 -0.293 0.000 0.792 491 V HN 0.512 nan 8.190 nan 0.000 0.459 492 L N -1.897 119.168 121.223 -0.264 0.000 2.628 492 L HA 0.333 4.667 4.340 -0.011 0.000 0.229 492 L C 1.658 178.413 176.870 -0.192 0.000 1.137 492 L CA 0.673 55.373 54.840 -0.234 0.000 0.909 492 L CB -0.324 41.574 42.059 -0.268 0.000 1.137 492 L HN 0.109 nan 8.230 nan 0.000 0.470 493 L N -1.058 120.071 121.223 -0.158 0.000 2.526 493 L HA 0.274 4.607 4.340 -0.011 0.000 0.210 493 L C 1.459 178.288 176.870 -0.068 0.000 1.048 493 L CA 0.550 55.338 54.840 -0.088 0.000 0.852 493 L CB -0.207 41.837 42.059 -0.026 0.000 1.128 493 L HN 0.352 nan 8.230 nan 0.000 0.482 494 S N 0.412 116.066 115.700 -0.077 0.000 2.599 494 S HA -0.123 4.340 4.470 -0.011 0.000 0.303 494 S C 1.010 175.577 174.600 -0.056 0.000 1.267 494 S CA -0.043 58.120 58.200 -0.063 0.000 1.055 494 S CB 0.456 63.617 63.200 -0.066 0.000 0.790 494 S HN 0.219 nan 8.310 nan 0.000 0.500 495 R N 1.628 122.102 120.500 -0.043 0.000 2.426 495 R HA 0.256 4.589 4.340 -0.011 0.000 0.263 495 R C 0.288 176.565 176.300 -0.038 0.000 0.961 495 R CA -0.319 55.758 56.100 -0.040 0.000 1.086 495 R CB -0.674 29.608 30.300 -0.031 0.000 1.186 495 R HN 0.778 nan 8.270 nan 0.000 0.537 496 E N 0.593 120.769 120.200 -0.038 0.000 2.461 496 E HA -0.110 4.233 4.350 -0.011 0.000 0.263 496 E C 0.021 176.594 176.600 -0.045 0.000 1.143 496 E CA 0.499 56.877 56.400 -0.037 0.000 0.994 496 E CB 0.509 30.188 29.700 -0.035 0.000 0.973 496 E HN -0.068 nan 8.360 nan 0.000 0.457 497 R N 0.840 121.315 120.500 -0.043 0.000 2.413 497 R HA 0.035 4.369 4.340 -0.011 0.000 0.245 497 R C -1.283 174.990 176.300 -0.045 0.000 0.978 497 R CA -0.084 55.984 56.100 -0.053 0.000 1.112 497 R CB -0.681 29.586 30.300 -0.056 0.000 1.342 497 R HN 0.208 nan 8.270 nan 0.000 0.704 498 K N 1.592 121.971 120.400 -0.035 0.000 2.095 498 K HA 0.156 4.470 4.320 -0.011 0.000 0.258 498 K C -1.828 174.757 176.600 -0.025 0.000 1.120 498 K CA -1.351 54.921 56.287 -0.024 0.000 1.026 498 K CB 0.782 33.273 32.500 -0.015 0.000 1.256 498 K HN 0.152 nan 8.250 nan 0.000 0.360 499 P HA -0.197 nan 4.420 nan 0.000 0.230 499 P C 0.908 178.203 177.300 -0.008 0.000 1.158 499 P CA 0.753 63.835 63.100 -0.031 0.000 0.769 499 P CB 0.251 31.930 31.700 -0.035 0.000 0.807 500 E N 1.212 121.413 120.200 0.001 0.000 2.077 500 E HA -0.168 4.176 4.350 -0.011 0.000 0.193 500 E C 1.557 178.167 176.600 0.017 0.000 0.989 500 E CA 1.474 57.882 56.400 0.013 0.000 0.800 500 E CB -1.346 28.362 29.700 0.013 0.000 0.746 500 E HN 0.284 nan 8.360 nan 0.000 0.452 501 L N -1.631 119.599 121.223 0.012 0.000 2.558 501 L HA 0.481 4.815 4.340 -0.011 0.000 0.225 501 L C 2.135 179.013 176.870 0.013 0.000 1.128 501 L CA 0.940 55.790 54.840 0.018 0.000 0.868 501 L CB -0.521 41.551 42.059 0.022 0.000 1.006 501 L HN 0.059 nan 8.230 nan 0.000 0.454 502 A N -0.059 122.761 122.820 -0.001 0.000 2.235 502 A HA 0.115 4.428 4.320 -0.011 0.000 0.208 502 A C 1.545 179.130 177.584 0.001 0.000 1.172 502 A CA 0.781 52.811 52.037 -0.012 0.000 0.786 502 A CB -0.431 18.544 19.000 -0.042 0.000 0.804 502 A HN 0.608 nan 8.150 nan 0.000 0.479 503 E N -0.968 119.240 120.200 0.014 0.000 2.702 503 E HA 0.315 4.658 4.350 -0.011 0.000 0.225 503 E C 0.337 176.946 176.600 0.015 0.000 0.942 503 E CA 0.144 56.557 56.400 0.022 0.000 1.210 503 E CB 0.701 30.450 29.700 0.082 0.000 1.143 503 E HN 0.443 nan 8.360 nan 0.000 0.544 504 A N 3.243 126.072 122.820 0.015 0.000 2.580 504 A HA 0.126 4.440 4.320 -0.011 0.000 0.244 504 A C -2.241 175.333 177.584 -0.015 0.000 1.045 504 A CA -0.526 51.517 52.037 0.011 0.000 0.761 504 A CB -0.358 18.657 19.000 0.024 0.000 0.962 504 A HN -0.089 nan 8.150 nan 0.000 0.512 505 P HA 0.335 nan 4.420 nan 0.000 0.276 505 P C -0.620 176.590 177.300 -0.150 0.000 1.261 505 P CA -0.582 62.461 63.100 -0.094 0.000 0.800 505 P CB 0.380 32.041 31.700 -0.065 0.000 1.066 506 L N 2.227 123.263 121.223 -0.312 0.000 2.433 506 L HA 0.153 4.487 4.340 -0.011 0.000 0.275 506 L C -1.501 175.070 176.870 -0.498 0.000 1.128 506 L CA -1.351 53.259 54.840 -0.384 0.000 0.875 506 L CB -0.487 41.194 42.059 -0.631 0.000 1.171 506 L HN 0.263 nan 8.230 nan 0.000 0.463 507 P HA -0.175 nan 4.420 nan 0.000 0.236 507 P C -0.016 177.190 177.300 -0.156 0.000 1.333 507 P CA 0.556 63.516 63.100 -0.232 0.000 0.806 507 P CB -0.672 30.834 31.700 -0.322 0.000 1.619 508 F N 0.394 120.274 119.950 -0.117 0.000 2.635 508 F HA -0.024 4.496 4.527 -0.011 0.000 0.379 508 F C 1.581 177.336 175.800 -0.075 0.000 1.094 508 F CA -0.983 56.960 58.000 -0.094 0.000 1.300 508 F CB 0.365 39.326 39.000 -0.065 0.000 1.035 508 F HN 0.087 nan 8.300 nan 0.000 0.581 509 A N 4.340 127.247 122.820 0.145 0.000 2.332 509 A HA 0.264 4.577 4.320 -0.011 0.000 0.258 509 A C 0.104 177.714 177.584 0.042 0.000 1.087 509 A CA -0.759 51.318 52.037 0.066 0.000 0.802 509 A CB 0.362 19.386 19.000 0.040 0.000 1.042 509 A HN 0.773 nan 8.150 nan 0.000 0.489 510 E N -0.540 119.680 120.200 0.033 0.000 2.405 510 E HA 0.371 4.714 4.350 -0.011 0.000 0.253 510 E C -0.776 175.811 176.600 -0.021 0.000 1.257 510 E CA -0.388 56.017 56.400 0.007 0.000 0.960 510 E CB 0.553 30.265 29.700 0.020 0.000 1.077 510 E HN 0.296 nan 8.360 nan 0.000 0.512 511 V N 1.225 121.111 119.914 -0.046 0.000 2.575 511 V HA 0.133 4.246 4.120 -0.011 0.000 0.281 511 V C 0.209 176.246 176.094 -0.095 0.000 1.087 511 V CA -0.464 61.791 62.300 -0.075 0.000 1.193 511 V CB -0.538 31.232 31.823 -0.090 0.000 1.426 511 V HN 0.623 nan 8.190 nan 0.000 0.623 512 I N 1.800 122.294 120.570 -0.126 0.000 2.763 512 I HA -0.237 3.926 4.170 -0.011 0.000 0.135 512 I C 0.820 176.862 176.117 -0.125 0.000 0.890 512 I CA 1.027 62.226 61.300 -0.169 0.000 2.762 512 I CB -0.184 37.618 38.000 -0.329 0.000 0.584 512 I HN 0.516 nan 8.210 nan 0.000 0.355 513 S N 3.430 119.077 115.700 -0.088 0.000 2.508 513 S HA 0.708 5.171 4.470 -0.011 0.000 0.284 513 S C 0.464 175.029 174.600 -0.058 0.000 1.192 513 S CA -0.079 58.079 58.200 -0.070 0.000 1.070 513 S CB 1.511 64.678 63.200 -0.054 0.000 1.004 513 S HN 0.679 nan 8.310 nan 0.000 0.493 514 G N 2.770 111.538 108.800 -0.054 0.000 3.119 514 G HA2 0.587 4.540 3.960 -0.011 0.000 0.206 514 G HA3 0.587 4.540 3.960 -0.011 0.000 0.206 514 G C -2.045 172.835 174.900 -0.033 0.000 1.313 514 G CA -0.807 44.267 45.100 -0.042 0.000 1.010 514 G HN 0.545 nan 8.290 nan 0.000 0.578 515 P HA 0.126 nan 4.420 nan 0.000 0.218 515 P C 0.990 178.277 177.300 -0.022 0.000 1.147 515 P CA 0.631 63.718 63.100 -0.021 0.000 0.863 515 P CB 0.304 31.994 31.700 -0.017 0.000 0.812 516 E N 0.160 120.346 120.200 -0.024 0.000 2.416 516 E HA 0.004 4.348 4.350 -0.011 0.000 0.189 516 E C -0.066 176.516 176.600 -0.030 0.000 1.091 516 E CA 0.130 56.517 56.400 -0.023 0.000 0.889 516 E CB -0.447 29.241 29.700 -0.021 0.000 1.015 516 E HN 0.243 nan 8.360 nan 0.000 0.479 517 D N 2.360 122.738 120.400 -0.036 0.000 1.865 517 D HA -0.066 4.567 4.640 -0.011 0.000 0.279 517 D C 1.532 177.809 176.300 -0.039 0.000 1.015 517 D CA 0.463 54.435 54.000 -0.047 0.000 0.925 517 D CB -0.255 40.513 40.800 -0.054 0.000 1.252 517 D HN -0.010 nan 8.370 nan 0.000 0.480 518 R N 0.134 120.613 120.500 -0.034 0.000 2.316 518 R HA -0.236 4.098 4.340 -0.011 0.000 0.257 518 R C 2.063 178.355 176.300 -0.012 0.000 1.198 518 R CA 1.034 57.119 56.100 -0.024 0.000 1.026 518 R CB -0.107 30.184 30.300 -0.015 0.000 0.872 518 R HN 0.074 nan 8.270 nan 0.000 0.482 519 R N 0.342 120.836 120.500 -0.011 0.000 2.078 519 R HA -0.132 4.202 4.340 -0.011 0.000 0.224 519 R C 2.027 178.331 176.300 0.006 0.000 1.149 519 R CA 1.285 57.384 56.100 -0.002 0.000 0.916 519 R CB -0.710 29.588 30.300 -0.003 0.000 0.821 519 R HN 0.068 nan 8.270 nan 0.000 0.434 520 L N 0.293 121.515 121.223 -0.002 0.000 1.970 520 L HA -0.165 4.168 4.340 -0.011 0.000 0.212 520 L C 2.300 179.162 176.870 -0.015 0.000 1.071 520 L CA 1.662 56.502 54.840 -0.000 0.000 0.751 520 L CB -0.891 41.156 42.059 -0.019 0.000 0.889 520 L HN 0.181 nan 8.230 nan 0.000 0.432 521 V N -0.635 119.248 119.914 -0.052 0.000 2.278 521 V HA -0.321 3.792 4.120 -0.011 0.000 0.251 521 V C 2.509 178.566 176.094 -0.061 0.000 1.062 521 V CA 1.822 64.062 62.300 -0.100 0.000 1.038 521 V CB -0.644 31.113 31.823 -0.110 0.000 0.646 521 V HN 0.371 nan 8.190 nan 0.000 0.447 522 L N -0.216 120.999 121.223 -0.014 0.000 2.376 522 L HA 0.029 4.362 4.340 -0.011 0.000 0.219 522 L C 2.326 179.240 176.870 0.072 0.000 1.133 522 L CA 1.668 56.522 54.840 0.023 0.000 0.816 522 L CB -0.865 41.208 42.059 0.023 0.000 0.933 522 L HN 0.278 nan 8.230 nan 0.000 0.449 523 A N -0.704 122.170 122.820 0.090 0.000 1.854 523 A HA -0.148 4.165 4.320 -0.011 0.000 0.214 523 A C 1.953 179.757 177.584 0.366 0.000 1.192 523 A CA 1.484 53.632 52.037 0.186 0.000 0.611 523 A CB -0.403 18.703 19.000 0.176 0.000 0.832 523 A HN 0.378 nan 8.150 nan 0.000 0.442 524 M N 0.101 119.861 119.600 0.267 0.000 2.740 524 M HA 0.067 4.541 4.480 -0.011 0.000 0.230 524 M C 0.834 177.327 176.300 0.322 0.000 1.100 524 M CA 0.777 56.264 55.300 0.311 0.000 1.047 524 M CB -0.192 32.420 32.600 0.020 0.000 1.652 524 M HN 0.282 nan 8.290 nan 0.000 0.528 525 D N 0.386 120.938 120.400 0.253 0.000 2.367 525 D HA 0.043 4.676 4.640 -0.011 0.000 0.207 525 D C 0.774 177.294 176.300 0.366 0.000 1.034 525 D CA 0.283 54.427 54.000 0.241 0.000 0.861 525 D CB 0.425 41.290 40.800 0.108 0.000 0.943 525 D HN 0.055 nan 8.370 nan 0.000 0.515 526 R N 1.222 121.947 120.500 0.375 0.000 4.874 526 R HA 0.018 4.351 4.340 -0.011 0.000 0.173 526 R C 1.326 177.899 176.300 0.456 0.000 2.034 526 R CA -0.102 56.201 56.100 0.338 0.000 1.630 526 R CB -0.976 29.443 30.300 0.199 0.000 1.372 526 R HN 0.350 nan 8.270 nan 0.000 0.843 527 I N 0.771 121.619 120.570 0.464 0.000 2.181 527 I HA -0.434 3.729 4.170 -0.011 0.000 0.240 527 I C 2.394 178.745 176.117 0.390 0.000 1.006 527 I CA 2.327 63.852 61.300 0.376 0.000 1.284 527 I CB -0.406 37.639 38.000 0.074 0.000 0.990 527 I HN 0.545 nan 8.210 nan 0.000 0.408 528 G N -0.205 108.804 108.800 0.348 0.000 2.628 528 G HA2 -0.402 3.551 3.960 -0.011 0.000 0.217 528 G HA3 -0.402 3.551 3.960 -0.011 0.000 0.217 528 G C 1.519 176.576 174.900 0.262 0.000 1.240 528 G CA 1.180 46.462 45.100 0.304 0.000 0.792 528 G HN 0.497 nan 8.290 nan 0.000 0.593 529 F N 0.780 120.731 119.950 0.001 0.000 2.115 529 F HA -0.199 4.322 4.527 -0.011 0.000 0.300 529 F C 2.380 178.062 175.800 -0.197 0.000 1.092 529 F CA 1.983 59.866 58.000 -0.195 0.000 1.245 529 F CB -0.441 38.303 39.000 -0.425 0.000 0.995 529 F HN 0.309 nan 8.300 nan 0.000 0.481 530 W N -0.620 120.629 121.300 -0.085 0.000 2.380 530 W HA -0.121 4.532 4.660 -0.011 0.000 0.317 530 W C 2.444 178.921 176.519 -0.071 0.000 1.196 530 W CA 1.106 58.328 57.345 -0.203 0.000 1.307 530 W CB -1.383 28.080 29.460 0.004 0.000 1.157 530 W HN 0.082 nan 8.180 nan 0.000 0.483 531 F N 1.378 121.431 119.950 0.171 0.000 2.271 531 F HA -0.294 4.226 4.527 -0.011 0.000 0.302 531 F C 2.012 177.848 175.800 0.060 0.000 1.063 531 F CA 1.764 59.834 58.000 0.117 0.000 1.362 531 F CB -0.236 38.834 39.000 0.117 0.000 1.060 531 F HN -0.106 nan 8.300 nan 0.000 0.521 532 A N -0.981 121.818 122.820 -0.035 0.000 1.973 532 A HA 0.068 4.382 4.320 -0.011 0.000 0.210 532 A C 2.168 179.641 177.584 -0.184 0.000 1.200 532 A CA 0.800 52.758 52.037 -0.130 0.000 0.707 532 A CB -1.076 17.915 19.000 -0.015 0.000 0.862 532 A HN 0.183 nan 8.150 nan 0.000 0.461 533 V N 0.490 120.232 119.914 -0.286 0.000 2.380 533 V HA -0.319 3.794 4.120 -0.011 0.000 0.251 533 V C 2.889 178.907 176.094 -0.126 0.000 1.063 533 V CA 1.901 64.036 62.300 -0.275 0.000 1.055 533 V CB -1.154 30.429 31.823 -0.400 0.000 0.657 533 V HN 0.637 nan 8.190 nan 0.000 0.455 534 A N 0.047 122.803 122.820 -0.107 0.000 1.953 534 A HA -0.312 4.001 4.320 -0.011 0.000 0.212 534 A C 2.491 179.976 177.584 -0.164 0.000 1.250 534 A CA 3.191 55.151 52.037 -0.128 0.000 0.726 534 A CB -1.594 17.296 19.000 -0.183 0.000 0.837 534 A HN 0.841 nan 8.150 nan 0.000 0.481 535 A N -0.517 122.164 122.820 -0.231 0.000 1.920 535 A HA -0.324 3.989 4.320 -0.011 0.000 0.229 535 A C 2.118 179.638 177.584 -0.106 0.000 1.516 535 A CA 2.491 54.427 52.037 -0.168 0.000 0.714 535 A CB -1.183 17.714 19.000 -0.171 0.000 0.845 535 A HN 0.655 nan 8.150 nan 0.000 0.493 536 I N -0.896 119.621 120.570 -0.089 0.000 2.185 536 I HA -0.316 3.848 4.170 -0.011 0.000 0.246 536 I C 2.581 178.663 176.117 -0.058 0.000 1.088 536 I CA 1.849 63.117 61.300 -0.052 0.000 1.347 536 I CB -0.492 37.486 38.000 -0.037 0.000 1.041 536 I HN 0.413 nan 8.210 nan 0.000 0.415 537 L N -0.116 121.057 121.223 -0.083 0.000 1.994 537 L HA -0.225 4.109 4.340 -0.011 0.000 0.208 537 L C 2.619 179.376 176.870 -0.188 0.000 1.071 537 L CA 1.249 56.024 54.840 -0.109 0.000 0.745 537 L CB -0.461 41.536 42.059 -0.104 0.000 0.892 537 L HN 0.048 nan 8.230 nan 0.000 0.431 538 V N -0.584 119.196 119.914 -0.223 0.000 2.282 538 V HA -0.306 3.807 4.120 -0.011 0.000 0.249 538 V C 2.345 178.270 176.094 -0.281 0.000 1.057 538 V CA 1.779 63.876 62.300 -0.338 0.000 1.032 538 V CB -0.342 31.275 31.823 -0.343 0.000 0.645 538 V HN 0.206 nan 8.190 nan 0.000 0.447 539 V N -0.760 119.067 119.914 -0.144 0.000 2.221 539 V HA -0.222 3.892 4.120 -0.011 0.000 0.242 539 V C 2.347 178.394 176.094 -0.078 0.000 1.041 539 V CA 1.828 64.091 62.300 -0.062 0.000 0.995 539 V CB -0.610 31.217 31.823 0.007 0.000 0.635 539 V HN 0.383 nan 8.190 nan 0.000 0.448 540 L N -0.110 121.086 121.223 -0.044 0.000 2.054 540 L HA -0.350 3.983 4.340 -0.011 0.000 0.220 540 L C 2.596 179.408 176.870 -0.096 0.000 1.081 540 L CA 2.565 57.414 54.840 0.014 0.000 0.780 540 L CB -1.006 41.101 42.059 0.081 0.000 0.893 540 L HN 0.495 nan 8.230 nan 0.000 0.438 541 A N -1.670 120.992 122.820 -0.265 0.000 1.855 541 A HA -0.184 4.130 4.320 -0.011 0.000 0.213 541 A C 1.832 178.900 177.584 -0.859 0.000 1.195 541 A CA 0.926 52.592 52.037 -0.618 0.000 0.610 541 A CB -0.674 18.007 19.000 -0.531 0.000 0.837 541 A HN 0.379 nan 8.150 nan 0.000 0.444 542 Y N 0.827 120.844 120.300 -0.473 0.000 2.546 542 Y HA 0.151 4.694 4.550 -0.012 0.000 0.287 542 Y C 2.352 178.162 175.900 -0.149 0.000 1.158 542 Y CA -0.299 57.637 58.100 -0.273 0.000 1.307 542 Y CB -0.812 37.463 38.460 -0.308 0.000 1.036 542 Y HN 0.310 nan 8.280 nan 0.000 0.532 543 G N 1.149 109.894 108.800 -0.091 0.000 2.705 543 G HA2 -0.208 3.745 3.960 -0.011 0.000 0.214 543 G HA3 -0.208 3.745 3.960 -0.011 0.000 0.214 543 G C -0.367 174.529 174.900 -0.008 0.000 1.321 543 G CA 0.724 45.826 45.100 0.002 0.000 0.826 543 G HN 0.193 nan 8.290 nan 0.000 0.595 544 P HA -0.156 nan 4.420 nan 0.000 0.220 544 P C 1.936 179.234 177.300 -0.003 0.000 1.155 544 P CA 2.396 65.498 63.100 0.004 0.000 0.880 544 P CB -0.256 31.547 31.700 0.171 0.000 0.790 545 T N -0.970 113.528 114.554 -0.093 0.000 2.866 545 T HA 0.050 4.394 4.350 -0.011 0.000 0.250 545 T C 1.452 176.187 174.700 0.058 0.000 1.033 545 T CA 0.452 62.548 62.100 -0.006 0.000 1.145 545 T CB -0.827 68.022 68.868 -0.032 0.000 0.866 545 T HN 0.058 nan 8.240 nan 0.000 0.434 546 L N 1.744 123.047 121.223 0.133 0.000 3.084 546 L HA 0.019 4.352 4.340 -0.011 0.000 0.266 546 L C 1.130 178.143 176.870 0.238 0.000 1.149 546 L CA 0.170 55.089 54.840 0.131 0.000 0.931 546 L CB -0.455 41.771 42.059 0.278 0.000 1.211 546 L HN 0.142 nan 8.230 nan 0.000 0.428 547 V N -2.515 117.506 119.914 0.180 0.000 3.602 547 V HA -0.089 4.024 4.120 -0.011 0.000 0.186 547 V C 1.632 177.842 176.094 0.193 0.000 1.444 547 V CA -0.041 62.394 62.300 0.226 0.000 1.221 547 V CB 0.294 32.232 31.823 0.193 0.000 1.180 547 V HN 0.268 nan 8.190 nan 0.000 0.554 548 Q N 0.224 120.094 119.800 0.117 0.000 2.576 548 Q HA -0.044 4.289 4.340 -0.011 0.000 0.218 548 Q C 1.409 177.378 176.000 -0.050 0.000 0.983 548 Q CA 0.976 56.797 55.803 0.030 0.000 0.920 548 Q CB 0.218 28.934 28.738 -0.037 0.000 0.973 548 Q HN 0.428 nan 8.270 nan 0.000 0.528 549 L N -2.557 118.702 121.223 0.061 0.000 2.678 549 L HA 0.110 4.443 4.340 -0.011 0.000 0.211 549 L C 1.394 178.308 176.870 0.073 0.000 1.043 549 L CA 0.596 55.431 54.840 -0.009 0.000 0.881 549 L CB -0.501 41.483 42.059 -0.126 0.000 1.361 549 L HN 0.152 nan 8.230 nan 0.000 0.484 550 F N 0.470 120.508 119.950 0.147 0.000 2.771 550 F HA 0.006 4.527 4.527 -0.011 0.000 0.299 550 F C 1.963 177.857 175.800 0.156 0.000 1.177 550 F CA 0.596 58.691 58.000 0.158 0.000 1.450 550 F CB 0.269 39.353 39.000 0.141 0.000 1.114 550 F HN 0.131 nan 8.300 nan 0.000 0.587 551 G N -2.220 106.806 108.800 0.377 0.000 2.833 551 G HA2 -0.061 3.892 3.960 -0.011 0.000 0.210 551 G HA3 -0.061 3.892 3.960 -0.011 0.000 0.210 551 G C 0.269 175.273 174.900 0.174 0.000 1.139 551 G CA 0.063 45.334 45.100 0.285 0.000 0.771 551 G HN 0.351 nan 8.290 nan 0.000 0.535 552 H N -0.026 119.098 119.070 0.090 0.000 2.510 552 H HA 0.341 4.891 4.556 -0.011 0.000 0.266 552 H C 0.472 175.828 175.328 0.048 0.000 1.146 552 H CA -0.946 55.136 56.048 0.056 0.000 0.993 552 H CB 0.011 29.793 29.762 0.034 0.000 1.727 552 H HN 0.042 nan 8.280 nan 0.000 0.590 553 L N 1.721 123.050 121.223 0.175 0.000 2.825 553 L HA -0.113 4.221 4.340 -0.011 0.000 0.278 553 L C 0.674 177.598 176.870 0.089 0.000 1.125 553 L CA 0.565 55.488 54.840 0.139 0.000 1.023 553 L CB -0.050 42.145 42.059 0.227 0.000 1.377 553 L HN 0.402 nan 8.230 nan 0.000 0.471 554 N N 5.273 124.001 118.700 0.046 0.000 2.635 554 N HA 0.203 4.936 4.740 -0.011 0.000 0.307 554 N C -2.225 173.287 175.510 0.004 0.000 1.433 554 N CA -1.641 51.428 53.050 0.032 0.000 0.973 554 N CB 0.419 38.925 38.487 0.032 0.000 1.304 554 N HN 0.295 nan 8.380 nan 0.000 0.507 555 P HA 0.076 nan 4.420 nan 0.000 0.270 555 P C -0.181 177.111 177.300 -0.014 0.000 1.223 555 P CA -0.208 62.866 63.100 -0.044 0.000 0.785 555 P CB 1.325 33.013 31.700 -0.021 0.000 0.923 556 V N -2.403 117.494 119.914 -0.029 0.000 3.141 556 V HA 0.729 4.842 4.120 -0.011 0.000 0.312 556 V C -2.828 173.313 176.094 0.078 0.000 1.157 556 V CA -2.807 59.518 62.300 0.042 0.000 1.041 556 V CB 1.787 33.653 31.823 0.072 0.000 1.071 556 V HN 0.403 nan 8.190 nan 0.000 0.441 557 P HA 0.374 nan 4.420 nan 0.000 0.277 557 P C 0.208 177.625 177.300 0.196 0.000 1.240 557 P CA 0.341 63.521 63.100 0.133 0.000 0.798 557 P CB 1.116 32.808 31.700 -0.015 0.000 0.979 558 G N 0.691 109.696 108.800 0.343 0.000 2.651 558 G HA2 0.371 4.324 3.960 -0.011 0.000 0.260 558 G HA3 0.371 4.324 3.960 -0.011 0.000 0.260 558 G C -1.362 173.602 174.900 0.106 0.000 1.216 558 G CA -0.403 44.978 45.100 0.470 0.000 0.913 558 G HN 0.492 nan 8.290 nan 0.000 0.535 559 W N -2.337 119.103 121.300 0.234 0.000 3.069 559 W HA 0.668 5.322 4.660 -0.010 0.000 0.390 559 W C 0.245 176.832 176.519 0.113 0.000 1.130 559 W CA -0.749 56.677 57.345 0.135 0.000 1.138 559 W CB 1.683 31.223 29.460 0.133 0.000 1.497 559 W HN 0.519 nan 8.180 nan 0.000 0.600 560 R N 0.979 121.694 120.500 0.357 0.000 2.488 560 R HA 0.250 4.583 4.340 -0.011 0.000 0.215 560 R C -1.453 174.767 176.300 -0.133 0.000 1.293 560 R CA -0.045 55.971 56.100 -0.139 0.000 1.343 560 R CB -0.778 29.291 30.300 -0.386 0.000 1.425 560 R HN 0.441 nan 8.270 nan 0.000 0.788 561 L N 1.998 123.401 121.223 0.301 0.000 2.858 561 L HA 0.337 4.670 4.340 -0.011 0.000 0.243 561 L C -0.443 176.654 176.870 0.378 0.000 1.416 561 L CA -0.020 54.966 54.840 0.244 0.000 1.182 561 L CB -1.460 40.692 42.059 0.155 0.000 1.564 561 L HN 0.503 nan 8.230 nan 0.000 0.436 562 W N 0.000 121.310 121.300 0.017 0.000 2.388 562 W HA 0.000 4.653 4.660 -0.012 0.000 0.303 562 W CA 0.000 57.343 57.345 -0.003 0.000 1.226 562 W CB 0.000 29.443 29.460 -0.028 0.000 1.126 562 W HN 0.000 nan 8.180 nan 0.000 0.535