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 2bvh_1_D DATA FIRST_RESID 5 DATA SEQUENCE KLATPLSIQG EVIYPDDSGF DAIANIWDGR HLQRPSLIAR CLSAGDVAKS DATA SEQUENCE VRYACDNGLE ISVRSGGHNP NGYATNDGGI VLDLRLMNSI HIDTAGSRAR DATA SEQUENCE IGGGVISGDL VKEAAKFGLA AVTGMHPKVG FCGLALNGGV GFLTPKYGLA DATA SEQUENCE SDNILGATLV TATGDVIYCS DDERPELFWA VRGAGPNFGV VTEVEVQLYE DATA SEQUENCE LPRKMLAGFI TWAPSVSELA GLLTSLLDAL NEMADHIYPS VFVGVDENRA DATA SEQUENCE PSVTVCVGHL GGLDIAERDI ARLRGLGRTV SDSIAVRSYD EVVALNAEVG DATA SEQUENCE SFEDGMSNLW IDREIAMPNA RFAEAIAGNL DKFVSEPASG GSVKLEIEGM DATA SEQUENCE PFGNPKRTPA RHRDAMGVLA LAEWSGAAPG SEKYPELARE LDAALLRAGV DATA SEQUENCE TTSGFGLLNN NSEVTAEMVA EVYKPEVYSR LAAVKREYDP ENRFRHNYNI DATA SEQUENCE DPE 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.490 176.600 -0.183 0.000 0.988 5 K CA 0.000 55.958 56.287 -0.548 0.000 0.838 5 K CB 0.000 32.258 32.500 -0.404 0.000 1.064 6 L N 1.620 122.815 121.223 -0.048 0.000 2.375 6 L HA 0.714 5.054 4.340 -0.000 0.000 0.271 6 L C 1.534 178.429 176.870 0.041 0.000 1.107 6 L CA 0.513 55.394 54.840 0.069 0.000 0.806 6 L CB 1.449 43.647 42.059 0.232 0.000 1.146 6 L HN 0.340 nan 8.230 nan 0.000 0.447 7 A N 2.306 125.145 122.820 0.031 0.000 1.884 7 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 7 A C 1.201 178.809 177.584 0.040 0.000 1.197 7 A CA 2.256 54.305 52.037 0.021 0.000 0.637 7 A CB -0.868 18.140 19.000 0.013 0.000 0.827 7 A HN 0.735 nan 8.150 nan 0.000 0.450 8 T N 2.062 116.657 114.554 0.068 0.000 3.375 8 T HA 0.371 4.721 4.350 -0.000 0.000 0.363 8 T C -2.422 172.380 174.700 0.170 0.000 1.837 8 T CA -1.052 61.100 62.100 0.088 0.000 1.445 8 T CB 0.690 69.599 68.868 0.069 0.000 1.089 8 T HN 0.422 nan 8.240 nan 0.000 0.722 9 P HA 0.017 nan 4.420 nan 0.000 0.272 9 P C -0.117 177.305 177.300 0.203 0.000 1.239 9 P CA -0.652 62.584 63.100 0.226 0.000 0.807 9 P CB 0.826 32.600 31.700 0.122 0.000 0.951 10 L N 0.602 121.855 121.223 0.051 0.000 2.319 10 L HA 0.319 4.659 4.340 -0.000 0.000 0.280 10 L C 0.166 177.015 176.870 -0.035 0.000 1.099 10 L CA 0.404 55.142 54.840 -0.169 0.000 0.828 10 L CB 0.382 42.065 42.059 -0.628 0.000 1.150 10 L HN 0.359 nan 8.230 nan 0.000 0.442 11 S N 6.513 122.208 115.700 -0.007 0.000 2.640 11 S HA 0.790 5.260 4.470 -0.000 0.000 0.320 11 S C -0.660 173.941 174.600 0.002 0.000 1.097 11 S CA -0.654 57.553 58.200 0.012 0.000 1.092 11 S CB 0.076 63.297 63.200 0.034 0.000 0.988 11 S HN 0.582 nan 8.310 nan 0.000 0.470 12 I N 1.489 122.055 120.570 -0.006 0.000 3.102 12 I HA 0.453 4.623 4.170 -0.000 0.000 0.310 12 I C 0.958 177.075 176.117 -0.000 0.000 1.246 12 I CA -1.086 60.211 61.300 -0.005 0.000 0.979 12 I CB 1.369 39.357 38.000 -0.021 0.000 1.267 12 I HN 0.397 nan 8.210 nan 0.000 0.451 13 Q N 1.834 121.636 119.800 0.003 0.000 2.112 13 Q HA -0.035 4.305 4.340 -0.000 0.000 0.206 13 Q C 1.218 177.219 176.000 0.001 0.000 0.987 13 Q CA 1.912 57.718 55.803 0.005 0.000 0.858 13 Q CB -0.251 28.490 28.738 0.006 0.000 0.905 13 Q HN 0.894 nan 8.270 nan 0.000 0.420 14 G N 0.783 109.580 108.800 -0.005 0.000 2.653 14 G HA2 0.069 4.029 3.960 -0.000 0.000 0.265 14 G HA3 0.069 4.029 3.960 -0.000 0.000 0.265 14 G C -0.293 174.598 174.900 -0.015 0.000 1.237 14 G CA -0.530 44.563 45.100 -0.011 0.000 0.946 14 G HN 0.020 nan 8.290 nan 0.000 0.522 15 E N -0.834 119.355 120.200 -0.018 0.000 2.301 15 E HA 0.308 4.658 4.350 -0.000 0.000 0.275 15 E C -0.481 176.088 176.600 -0.052 0.000 1.030 15 E CA -0.386 56.004 56.400 -0.017 0.000 0.852 15 E CB 1.846 31.543 29.700 -0.006 0.000 1.060 15 E HN 0.058 nan 8.360 nan 0.000 0.401 16 V N 5.004 124.883 119.914 -0.058 0.000 2.293 16 V HA 0.303 4.423 4.120 -0.000 0.000 0.275 16 V C 0.239 176.203 176.094 -0.217 0.000 1.021 16 V CA -0.507 61.688 62.300 -0.177 0.000 0.815 16 V CB 0.265 31.981 31.823 -0.178 0.000 1.025 16 V HN 0.474 nan 8.190 nan 0.000 0.448 17 I N 5.193 125.641 120.570 -0.203 0.000 2.342 17 I HA 0.411 4.581 4.170 -0.000 0.000 0.291 17 I C -0.398 175.661 176.117 -0.097 0.000 1.010 17 I CA -0.341 60.930 61.300 -0.048 0.000 1.308 17 I CB 0.706 38.739 38.000 0.054 0.000 1.400 17 I HN 0.421 nan 8.210 nan 0.000 0.488 18 Y N 6.459 126.868 120.300 0.181 0.000 2.488 18 Y HA 0.291 4.841 4.550 0.000 0.000 0.325 18 Y C -1.509 174.224 175.900 -0.279 0.000 1.204 18 Y CA -1.877 56.255 58.100 0.054 0.000 1.229 18 Y CB 0.283 38.731 38.460 -0.020 0.000 1.274 18 Y HN 0.407 nan 8.280 nan 0.000 0.493 19 P HA -0.214 nan 4.420 nan 0.000 0.218 19 P C 0.514 177.395 177.300 -0.698 0.000 1.152 19 P CA 1.948 64.160 63.100 -1.479 0.000 0.857 19 P CB 0.306 31.573 31.700 -0.722 0.000 0.787 20 D N -1.776 118.465 120.400 -0.265 0.000 2.348 20 D HA -0.009 4.631 4.640 -0.000 0.000 0.211 20 D C 0.205 176.498 176.300 -0.011 0.000 0.998 20 D CA 0.566 54.500 54.000 -0.109 0.000 0.873 20 D CB -0.371 40.388 40.800 -0.068 0.000 0.925 20 D HN 0.189 nan 8.370 nan 0.000 0.524 21 D N 0.312 120.746 120.400 0.055 0.000 2.423 21 D HA -0.069 4.571 4.640 -0.000 0.000 0.238 21 D C 1.388 177.760 176.300 0.120 0.000 1.142 21 D CA 0.132 54.200 54.000 0.114 0.000 0.884 21 D CB 1.523 42.429 40.800 0.176 0.000 1.199 21 D HN -0.158 nan 8.370 nan 0.000 0.438 22 S N 1.748 117.501 115.700 0.088 0.000 2.380 22 S HA -0.182 4.288 4.470 -0.000 0.000 0.229 22 S C 1.901 176.557 174.600 0.093 0.000 1.043 22 S CA 2.009 60.253 58.200 0.075 0.000 1.038 22 S CB -0.272 62.960 63.200 0.053 0.000 0.872 22 S HN 0.636 nan 8.310 nan 0.000 0.456 23 G N -0.395 108.466 108.800 0.102 0.000 2.464 23 G HA2 0.001 3.961 3.960 -0.000 0.000 0.217 23 G HA3 0.001 3.961 3.960 -0.000 0.000 0.217 23 G C 1.000 175.965 174.900 0.109 0.000 1.138 23 G CA 0.483 45.634 45.100 0.085 0.000 0.793 23 G HN 0.516 nan 8.290 nan 0.000 0.539 24 F N 2.538 122.492 119.950 0.007 0.000 2.304 24 F HA -0.371 4.156 4.527 0.000 0.000 0.297 24 F C 2.372 178.169 175.800 -0.005 0.000 1.211 24 F CA 2.600 60.600 58.000 -0.000 0.000 1.301 24 F CB -0.411 38.597 39.000 0.013 0.000 0.896 24 F HN 0.173 nan 8.300 nan 0.000 0.568 25 D N 0.093 120.655 120.400 0.269 0.000 2.244 25 D HA -0.293 4.347 4.640 -0.000 0.000 0.197 25 D C 2.084 178.355 176.300 -0.048 0.000 1.006 25 D CA 1.774 55.836 54.000 0.103 0.000 0.888 25 D CB -0.700 40.199 40.800 0.166 0.000 0.912 25 D HN 0.467 nan 8.370 nan 0.000 0.452 26 A N 0.549 123.347 122.820 -0.036 0.000 1.930 26 A HA -0.065 4.255 4.320 -0.000 0.000 0.215 26 A C 2.239 179.767 177.584 -0.094 0.000 1.176 26 A CA 0.427 52.435 52.037 -0.048 0.000 0.632 26 A CB -0.118 18.873 19.000 -0.015 0.000 0.819 26 A HN 0.080 nan 8.150 nan 0.000 0.445 27 I N 0.096 120.579 120.570 -0.144 0.000 2.233 27 I HA -0.156 4.014 4.170 -0.000 0.000 0.243 27 I C 2.730 178.698 176.117 -0.249 0.000 1.093 27 I CA 1.504 62.699 61.300 -0.175 0.000 1.380 27 I CB -1.514 36.371 38.000 -0.192 0.000 1.067 27 I HN 0.331 nan 8.210 nan 0.000 0.413 28 A N 0.674 123.239 122.820 -0.425 0.000 2.239 28 A HA -0.096 4.224 4.320 -0.000 0.000 0.209 28 A C 1.189 178.634 177.584 -0.233 0.000 1.171 28 A CA 0.297 52.065 52.037 -0.449 0.000 0.768 28 A CB -0.796 17.689 19.000 -0.859 0.000 0.790 28 A HN 0.428 nan 8.150 nan 0.000 0.478 29 N N 0.845 119.447 118.700 -0.164 0.000 2.499 29 N HA 0.425 5.165 4.740 -0.000 0.000 0.281 29 N C -0.468 174.993 175.510 -0.082 0.000 1.098 29 N CA -0.132 52.856 53.050 -0.104 0.000 0.979 29 N CB 0.747 39.187 38.487 -0.079 0.000 1.121 29 N HN 0.469 nan 8.380 nan 0.000 0.466 30 I N -0.179 120.347 120.570 -0.073 0.000 2.846 30 I HA 0.345 4.515 4.170 -0.000 0.000 0.307 30 I C 1.232 177.318 176.117 -0.050 0.000 1.053 30 I CA -1.066 60.207 61.300 -0.045 0.000 1.050 30 I CB 1.420 39.395 38.000 -0.042 0.000 1.239 30 I HN 0.598 nan 8.210 nan 0.000 0.439 31 W N 3.034 124.185 121.300 -0.249 0.000 2.290 31 W HA -0.265 4.395 4.660 0.000 0.000 0.323 31 W C 0.890 177.244 176.519 -0.274 0.000 1.260 31 W CA 2.014 59.154 57.345 -0.342 0.000 1.266 31 W CB -0.125 28.919 29.460 -0.695 0.000 1.149 31 W HN 0.767 nan 8.180 nan 0.000 0.482 32 D N -1.379 118.866 120.400 -0.259 0.000 2.308 32 D HA 0.282 4.922 4.640 -0.000 0.000 0.251 32 D C 1.519 177.580 176.300 -0.399 0.000 1.127 32 D CA 0.679 54.377 54.000 -0.504 0.000 0.876 32 D CB 1.356 42.023 40.800 -0.221 0.000 1.176 32 D HN 0.079 nan 8.370 nan 0.000 0.446 33 G N 3.322 111.810 108.800 -0.520 0.000 2.448 33 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 33 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 33 G C 1.404 176.098 174.900 -0.343 0.000 1.135 33 G CA 0.188 45.052 45.100 -0.394 0.000 0.784 33 G HN 0.519 nan 8.290 nan 0.000 0.543 34 R N -0.175 120.060 120.500 -0.441 0.000 2.103 34 R HA -0.071 4.269 4.340 -0.000 0.000 0.242 34 R C 0.340 176.357 176.300 -0.472 0.000 1.142 34 R CA 0.945 56.763 56.100 -0.470 0.000 0.960 34 R CB -0.362 29.565 30.300 -0.621 0.000 0.858 34 R HN 0.380 nan 8.270 nan 0.000 0.439 35 H N 0.560 119.536 119.070 -0.156 0.000 2.723 35 H HA 0.094 4.650 4.556 0.000 0.000 0.294 35 H C 0.903 176.174 175.328 -0.094 0.000 1.079 35 H CA 0.166 56.147 56.048 -0.113 0.000 1.411 35 H CB 1.020 30.707 29.762 -0.125 0.000 1.439 35 H HN 0.130 nan 8.280 nan 0.000 0.474 36 L N 1.700 122.935 121.223 0.020 0.000 2.609 36 L HA 0.015 4.355 4.340 -0.000 0.000 0.230 36 L C 1.198 178.087 176.870 0.032 0.000 1.087 36 L CA -0.138 54.707 54.840 0.008 0.000 0.874 36 L CB 0.095 42.148 42.059 -0.010 0.000 1.114 36 L HN 0.504 nan 8.230 nan 0.000 0.488 37 Q N 2.350 122.176 119.800 0.044 0.000 2.354 37 Q HA 0.052 4.392 4.340 -0.000 0.000 0.310 37 Q C -0.593 175.434 176.000 0.044 0.000 1.104 37 Q CA 0.725 56.555 55.803 0.044 0.000 0.968 37 Q CB 0.836 29.598 28.738 0.041 0.000 1.251 37 Q HN 0.179 nan 8.270 nan 0.000 0.411 38 R N 1.998 122.540 120.500 0.071 0.000 2.673 38 R HA 0.520 4.860 4.340 -0.000 0.000 0.281 38 R C -2.469 173.916 176.300 0.141 0.000 0.991 38 R CA -2.015 54.153 56.100 0.113 0.000 0.896 38 R CB 2.001 32.424 30.300 0.205 0.000 1.201 38 R HN 0.593 nan 8.270 nan 0.000 0.457 39 P HA -0.006 nan 4.420 nan 0.000 0.271 39 P C 0.464 177.904 177.300 0.233 0.000 1.233 39 P CA 0.007 63.198 63.100 0.153 0.000 0.789 39 P CB 0.644 32.404 31.700 0.101 0.000 0.951 40 S N 0.755 116.556 115.700 0.168 0.000 2.558 40 S HA 0.200 4.670 4.470 -0.000 0.000 0.217 40 S C 0.840 175.550 174.600 0.184 0.000 0.975 40 S CA 0.007 58.298 58.200 0.152 0.000 0.912 40 S CB -0.979 62.303 63.200 0.137 0.000 0.776 40 S HN 0.587 nan 8.310 nan 0.000 0.526 41 L N -2.951 118.381 121.223 0.182 0.000 3.002 41 L HA 0.651 4.991 4.340 -0.000 0.000 0.267 41 L C -2.178 174.696 176.870 0.007 0.000 0.997 41 L CA -1.321 53.546 54.840 0.044 0.000 0.961 41 L CB 1.097 43.048 42.059 -0.180 0.000 1.502 41 L HN -0.027 nan 8.230 nan 0.000 0.408 42 I N 1.384 121.887 120.570 -0.111 0.000 2.534 42 I HA 0.671 4.841 4.170 -0.000 0.000 0.288 42 I C -0.278 175.738 176.117 -0.168 0.000 1.077 42 I CA -0.667 60.558 61.300 -0.125 0.000 1.051 42 I CB 2.134 40.038 38.000 -0.160 0.000 1.234 42 I HN 0.829 nan 8.210 nan 0.000 0.425 43 A N 6.294 129.034 122.820 -0.133 0.000 2.253 43 A HA 0.550 4.870 4.320 -0.000 0.000 0.316 43 A C -0.007 177.530 177.584 -0.079 0.000 1.327 43 A CA -0.569 51.393 52.037 -0.125 0.000 0.917 43 A CB 0.184 19.111 19.000 -0.120 0.000 1.162 43 A HN 0.742 nan 8.150 nan 0.000 0.535 44 R N 2.305 122.762 120.500 -0.072 0.000 3.266 44 R HA 0.187 4.527 4.340 -0.000 0.000 0.224 44 R C -0.630 175.651 176.300 -0.032 0.000 1.525 44 R CA -0.269 55.803 56.100 -0.048 0.000 1.364 44 R CB -0.265 30.009 30.300 -0.044 0.000 1.276 44 R HN 0.780 nan 8.270 nan 0.000 0.660 45 C N 2.181 121.466 119.300 -0.025 0.000 2.634 45 C HA 0.009 4.469 4.460 -0.000 0.000 0.417 45 C C 1.857 176.845 174.990 -0.004 0.000 1.334 45 C CA -0.151 58.860 59.018 -0.012 0.000 1.829 45 C CB -0.107 27.632 27.740 -0.002 0.000 2.665 45 C HN 0.805 nan 8.230 nan 0.000 0.614 46 L N 2.436 123.659 121.223 -0.000 0.000 2.858 46 L HA 0.193 4.533 4.340 -0.000 0.000 0.251 46 L C 0.858 177.732 176.870 0.008 0.000 1.149 46 L CA 0.396 55.238 54.840 0.004 0.000 0.955 46 L CB -0.224 41.837 42.059 0.003 0.000 1.289 46 L HN 0.915 nan 8.230 nan 0.000 0.542 47 S N -2.730 112.976 115.700 0.011 0.000 2.615 47 S HA 0.485 4.955 4.470 -0.000 0.000 0.268 47 S C 0.430 175.043 174.600 0.022 0.000 1.146 47 S CA -0.145 58.065 58.200 0.016 0.000 0.818 47 S CB 1.362 64.571 63.200 0.014 0.000 1.111 47 S HN -0.064 nan 8.310 nan 0.000 0.465 48 A N 1.073 123.909 122.820 0.027 0.000 2.024 48 A HA 0.191 4.511 4.320 -0.000 0.000 0.220 48 A C 2.068 179.676 177.584 0.039 0.000 1.164 48 A CA 2.212 54.271 52.037 0.036 0.000 0.643 48 A CB -1.709 17.315 19.000 0.041 0.000 0.806 48 A HN 1.533 nan 8.150 nan 0.000 0.451 49 G N 0.091 108.911 108.800 0.032 0.000 2.459 49 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.217 49 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.217 49 G C 1.152 176.072 174.900 0.033 0.000 1.183 49 G CA 1.248 46.368 45.100 0.032 0.000 0.776 49 G HN 0.466 nan 8.290 nan 0.000 0.552 50 D N 0.211 120.626 120.400 0.025 0.000 2.092 50 D HA -0.113 4.527 4.640 -0.000 0.000 0.193 50 D C 2.816 179.133 176.300 0.028 0.000 0.994 50 D CA 1.116 55.126 54.000 0.018 0.000 0.828 50 D CB -0.781 40.023 40.800 0.006 0.000 0.963 50 D HN 0.179 nan 8.370 nan 0.000 0.450 51 V N 1.537 121.472 119.914 0.036 0.000 2.287 51 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 51 V C 2.545 178.686 176.094 0.079 0.000 1.053 51 V CA 1.945 64.278 62.300 0.055 0.000 1.027 51 V CB -0.982 30.873 31.823 0.054 0.000 0.646 51 V HN 0.211 nan 8.190 nan 0.000 0.447 52 A N -0.047 122.817 122.820 0.073 0.000 1.873 52 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 52 A C 2.304 179.939 177.584 0.085 0.000 1.193 52 A CA 2.335 54.422 52.037 0.084 0.000 0.629 52 A CB -0.513 18.529 19.000 0.070 0.000 0.826 52 A HN 0.574 nan 8.150 nan 0.000 0.447 53 K N -0.171 120.272 120.400 0.071 0.000 2.057 53 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 53 K C 2.365 179.028 176.600 0.105 0.000 1.049 53 K CA 1.492 57.827 56.287 0.079 0.000 0.931 53 K CB -0.255 32.279 32.500 0.057 0.000 0.714 53 K HN 0.459 nan 8.250 nan 0.000 0.440 54 S N 1.215 116.962 115.700 0.078 0.000 2.368 54 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 54 S C 2.282 176.974 174.600 0.153 0.000 1.030 54 S CA 1.546 59.798 58.200 0.087 0.000 0.999 54 S CB -0.463 62.758 63.200 0.034 0.000 0.844 54 S HN 0.330 nan 8.310 nan 0.000 0.459 55 V N 0.748 120.741 119.914 0.131 0.000 2.490 55 V HA -0.080 4.039 4.120 -0.000 0.000 0.250 55 V C 2.071 178.217 176.094 0.088 0.000 1.061 55 V CA 1.514 63.882 62.300 0.114 0.000 1.064 55 V CB -0.740 31.169 31.823 0.143 0.000 0.670 55 V HN 0.217 nan 8.190 nan 0.000 0.461 56 R N -0.997 119.567 120.500 0.107 0.000 2.062 56 R HA -0.008 4.332 4.340 -0.000 0.000 0.229 56 R C 2.281 178.641 176.300 0.100 0.000 1.128 56 R CA 1.851 58.001 56.100 0.082 0.000 0.960 56 R CB -0.788 29.562 30.300 0.084 0.000 0.855 56 R HN 0.663 nan 8.270 nan 0.000 0.432 57 Y N 1.179 121.493 120.300 0.024 0.000 2.102 57 Y HA -0.343 4.207 4.550 -0.000 0.000 0.280 57 Y C 2.208 178.120 175.900 0.020 0.000 1.178 57 Y CA 1.764 59.881 58.100 0.027 0.000 1.146 57 Y CB -0.456 38.026 38.460 0.037 0.000 0.968 57 Y HN 0.118 nan 8.280 nan 0.000 0.504 58 A N -0.808 122.138 122.820 0.209 0.000 1.917 58 A HA -0.304 4.016 4.320 -0.000 0.000 0.219 58 A C 2.505 180.070 177.584 -0.030 0.000 1.182 58 A CA 1.860 53.954 52.037 0.095 0.000 0.633 58 A CB -1.820 17.231 19.000 0.086 0.000 0.819 58 A HN 0.744 nan 8.150 nan 0.000 0.448 59 C N -0.429 118.851 119.300 -0.033 0.000 2.473 59 C HA -0.095 4.365 4.460 -0.000 0.000 0.279 59 C C 2.345 177.287 174.990 -0.081 0.000 1.250 59 C CA 1.413 60.398 59.018 -0.057 0.000 1.713 59 C CB -1.291 26.424 27.740 -0.041 0.000 2.066 59 C HN 0.666 nan 8.230 nan 0.000 0.474 60 D N 0.500 120.843 120.400 -0.095 0.000 2.190 60 D HA -0.116 4.524 4.640 -0.000 0.000 0.200 60 D C 1.329 177.529 176.300 -0.168 0.000 0.992 60 D CA 1.277 55.207 54.000 -0.117 0.000 0.854 60 D CB -0.576 40.151 40.800 -0.122 0.000 0.936 60 D HN 0.617 nan 8.370 nan 0.000 0.462 61 N N -0.292 118.257 118.700 -0.252 0.000 2.230 61 N HA 0.095 4.835 4.740 -0.000 0.000 0.202 61 N C 0.741 176.174 175.510 -0.128 0.000 1.119 61 N CA 0.378 53.279 53.050 -0.248 0.000 0.851 61 N CB 1.154 39.359 38.487 -0.469 0.000 0.990 61 N HN 0.099 nan 8.380 nan 0.000 0.497 62 G N 1.547 110.292 108.800 -0.093 0.000 2.366 62 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.299 62 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.299 62 G C -0.283 174.602 174.900 -0.026 0.000 1.020 62 G CA 0.225 45.294 45.100 -0.052 0.000 1.026 62 G HN 0.269 nan 8.290 nan 0.000 0.512 63 L N -0.487 120.727 121.223 -0.015 0.000 2.322 63 L HA 0.466 4.806 4.340 -0.000 0.000 0.281 63 L C 0.810 177.701 176.870 0.034 0.000 1.014 63 L CA -0.933 53.925 54.840 0.030 0.000 0.815 63 L CB 1.726 43.831 42.059 0.077 0.000 1.247 63 L HN 0.264 nan 8.230 nan 0.000 0.421 64 E N 2.645 122.878 120.200 0.056 0.000 2.452 64 E HA 0.165 4.515 4.350 -0.000 0.000 0.261 64 E C -0.825 175.834 176.600 0.097 0.000 0.987 64 E CA 0.016 56.463 56.400 0.079 0.000 0.926 64 E CB 0.759 30.549 29.700 0.150 0.000 0.934 64 E HN 0.352 nan 8.360 nan 0.000 0.452 65 I N 2.586 123.207 120.570 0.084 0.000 2.359 65 I HA 0.203 4.373 4.170 -0.000 0.000 0.294 65 I C -0.003 176.244 176.117 0.216 0.000 0.987 65 I CA -0.337 61.029 61.300 0.109 0.000 1.225 65 I CB 1.764 39.778 38.000 0.024 0.000 1.366 65 I HN 0.306 nan 8.210 nan 0.000 0.466 66 S N 4.209 120.002 115.700 0.155 0.000 2.536 66 S HA 0.641 5.111 4.470 -0.000 0.000 0.287 66 S C -0.673 173.976 174.600 0.082 0.000 1.101 66 S CA -0.563 57.704 58.200 0.111 0.000 0.950 66 S CB 2.519 65.705 63.200 -0.024 0.000 1.056 66 S HN 0.275 nan 8.310 nan 0.000 0.481 67 V N 3.358 123.306 119.914 0.058 0.000 2.555 67 V HA 0.683 4.803 4.120 -0.000 0.000 0.302 67 V C -0.135 175.955 176.094 -0.006 0.000 1.038 67 V CA -0.750 61.562 62.300 0.021 0.000 0.887 67 V CB 1.808 33.625 31.823 -0.010 0.000 0.991 67 V HN 0.727 nan 8.190 nan 0.000 0.434 68 R N 2.309 122.800 120.500 -0.014 0.000 2.628 68 R HA 0.684 5.024 4.340 -0.000 0.000 0.288 68 R C -0.568 175.725 176.300 -0.012 0.000 0.980 68 R CA -0.117 55.973 56.100 -0.018 0.000 0.891 68 R CB 2.487 32.768 30.300 -0.032 0.000 1.188 68 R HN 0.798 nan 8.270 nan 0.000 0.450 69 S N 1.390 117.088 115.700 -0.002 0.000 3.517 69 S HA 0.215 4.685 4.470 -0.000 0.000 0.173 69 S C 1.126 175.744 174.600 0.030 0.000 0.785 69 S CA 0.464 58.671 58.200 0.012 0.000 0.932 69 S CB 0.058 63.265 63.200 0.012 0.000 1.213 69 S HN 0.743 nan 8.310 nan 0.000 0.772 70 G N 0.104 108.931 108.800 0.046 0.000 2.838 70 G HA2 0.389 4.349 3.960 -0.000 0.000 0.210 70 G HA3 0.389 4.349 3.960 -0.000 0.000 0.210 70 G C 0.960 175.909 174.900 0.081 0.000 1.153 70 G CA 0.467 45.618 45.100 0.086 0.000 0.778 70 G HN 1.090 nan 8.290 nan 0.000 0.539 71 G N 0.006 108.834 108.800 0.047 0.000 2.283 71 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.280 71 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.280 71 G C 0.855 175.777 174.900 0.037 0.000 1.029 71 G CA 0.700 45.816 45.100 0.027 0.000 0.840 71 G HN 0.550 nan 8.290 nan 0.000 0.505 72 H N -0.346 118.718 119.070 -0.009 0.000 2.551 72 H HA 0.088 4.644 4.556 0.000 0.000 0.266 72 H C 1.368 176.683 175.328 -0.022 0.000 0.964 72 H CA 0.417 56.412 56.048 -0.089 0.000 1.180 72 H CB 0.349 29.912 29.762 -0.332 0.000 1.408 72 H HN 0.398 nan 8.280 nan 0.000 0.563 73 N N 2.825 121.586 118.700 0.101 0.000 2.438 73 N HA -0.031 4.709 4.740 -0.000 0.000 0.267 73 N C -1.812 173.678 175.510 -0.033 0.000 1.222 73 N CA -1.044 52.043 53.050 0.061 0.000 0.930 73 N CB 1.276 39.807 38.487 0.073 0.000 1.083 73 N HN 0.176 nan 8.380 nan 0.000 0.476 74 P HA -0.002 nan 4.420 nan 0.000 0.247 74 P C 0.226 177.456 177.300 -0.118 0.000 1.225 74 P CA 0.436 63.457 63.100 -0.132 0.000 0.768 74 P CB 0.388 31.824 31.700 -0.438 0.000 1.020 75 N N 0.112 118.612 118.700 -0.333 0.000 2.422 75 N HA -0.000 4.740 4.740 -0.000 0.000 0.181 75 N C 1.500 176.415 175.510 -0.992 0.000 1.080 75 N CA 1.108 53.814 53.050 -0.573 0.000 0.893 75 N CB -0.032 37.803 38.487 -1.087 0.000 0.973 75 N HN 0.205 nan 8.380 nan 0.000 0.456 76 G N 0.739 109.006 108.800 -0.889 0.000 2.159 76 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.256 76 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.256 76 G C 0.556 175.166 174.900 -0.484 0.000 0.977 76 G CA 0.337 44.871 45.100 -0.943 0.000 0.652 76 G HN 0.307 nan 8.290 nan 0.000 0.531 77 Y N 0.142 120.289 120.300 -0.255 0.000 2.283 77 Y HA 0.002 4.552 4.550 0.000 0.000 0.285 77 Y C 2.987 178.774 175.900 -0.189 0.000 1.176 77 Y CA 1.466 59.462 58.100 -0.174 0.000 1.229 77 Y CB -0.844 37.565 38.460 -0.085 0.000 0.975 77 Y HN 0.525 nan 8.280 nan 0.000 0.537 78 A N -1.344 121.463 122.820 -0.022 0.000 2.168 78 A HA 0.036 4.356 4.320 -0.000 0.000 0.215 78 A C 1.310 178.838 177.584 -0.094 0.000 1.152 78 A CA 1.401 53.412 52.037 -0.044 0.000 0.716 78 A CB -0.395 18.583 19.000 -0.036 0.000 0.794 78 A HN 0.304 nan 8.150 nan 0.000 0.465 79 T N -1.088 113.375 114.554 -0.152 0.000 2.906 79 T HA 0.547 4.897 4.350 -0.000 0.000 0.295 79 T C -0.851 173.708 174.700 -0.235 0.000 1.075 79 T CA -0.315 61.695 62.100 -0.150 0.000 1.005 79 T CB 1.095 69.900 68.868 -0.105 0.000 1.136 79 T HN 0.592 nan 8.240 nan 0.000 0.498 80 N N 0.758 119.363 118.700 -0.158 0.000 3.278 80 N HA 0.509 5.249 4.740 -0.000 0.000 0.307 80 N C -1.970 173.526 175.510 -0.023 0.000 1.551 80 N CA -0.833 52.123 53.050 -0.158 0.000 0.794 80 N CB 0.767 39.166 38.487 -0.147 0.000 1.770 80 N HN 0.429 nan 8.380 nan 0.000 0.612 81 D N -1.875 118.540 120.400 0.025 0.000 2.477 81 D HA 0.468 5.108 4.640 -0.000 0.000 0.239 81 D C 0.736 177.073 176.300 0.063 0.000 1.102 81 D CA 0.490 54.520 54.000 0.050 0.000 0.901 81 D CB -0.230 40.603 40.800 0.056 0.000 1.026 81 D HN 0.916 nan 8.370 nan 0.000 0.515 82 G N 2.456 111.299 108.800 0.072 0.000 2.184 82 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.264 82 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.264 82 G C 0.762 175.715 174.900 0.087 0.000 0.975 82 G CA 0.129 45.277 45.100 0.079 0.000 0.642 82 G HN 0.791 nan 8.290 nan 0.000 0.536 83 G N -0.913 107.938 108.800 0.085 0.000 2.574 83 G HA2 0.649 4.609 3.960 -0.000 0.000 0.248 83 G HA3 0.649 4.609 3.960 -0.000 0.000 0.248 83 G C 0.086 175.047 174.900 0.101 0.000 1.422 83 G CA -0.249 44.906 45.100 0.092 0.000 1.051 83 G HN 0.956 nan 8.290 nan 0.000 0.560 84 I N -1.005 119.626 120.570 0.101 0.000 2.607 84 I HA 0.606 4.776 4.170 -0.000 0.000 0.305 84 I C -0.980 175.170 176.117 0.054 0.000 0.995 84 I CA -0.849 60.505 61.300 0.090 0.000 1.148 84 I CB 2.128 40.204 38.000 0.126 0.000 1.323 84 I HN 0.145 nan 8.210 nan 0.000 0.461 85 V N 7.551 127.475 119.914 0.018 0.000 2.483 85 V HA 0.302 4.422 4.120 -0.000 0.000 0.297 85 V C -0.598 175.486 176.094 -0.016 0.000 1.027 85 V CA -0.617 61.679 62.300 -0.006 0.000 0.855 85 V CB 1.506 33.301 31.823 -0.048 0.000 0.995 85 V HN 0.415 nan 8.190 nan 0.000 0.424 86 L N 4.687 125.916 121.223 0.009 0.000 2.302 86 L HA 0.379 4.719 4.340 -0.000 0.000 0.285 86 L C 0.273 177.135 176.870 -0.013 0.000 1.090 86 L CA 0.163 55.006 54.840 0.005 0.000 0.866 86 L CB 0.269 42.353 42.059 0.042 0.000 1.244 86 L HN 0.565 nan 8.230 nan 0.000 0.435 87 D N 3.083 123.462 120.400 -0.035 0.000 2.325 87 D HA 0.109 4.749 4.640 -0.000 0.000 0.251 87 D C 0.716 177.002 176.300 -0.023 0.000 1.196 87 D CA 0.011 53.988 54.000 -0.038 0.000 0.866 87 D CB 0.970 41.734 40.800 -0.060 0.000 1.101 87 D HN 0.405 nan 8.370 nan 0.000 0.476 88 L N 3.815 125.030 121.223 -0.013 0.000 2.628 88 L HA 0.227 4.567 4.340 -0.000 0.000 0.229 88 L C 2.235 179.107 176.870 0.002 0.000 1.137 88 L CA -0.285 54.553 54.840 -0.004 0.000 0.909 88 L CB 0.037 42.095 42.059 -0.001 0.000 1.137 88 L HN 0.256 nan 8.230 nan 0.000 0.470 89 R N 0.636 121.136 120.500 -0.000 0.000 2.139 89 R HA -0.146 4.194 4.340 -0.000 0.000 0.243 89 R C 1.940 178.245 176.300 0.008 0.000 1.145 89 R CA 1.350 57.455 56.100 0.008 0.000 0.976 89 R CB -0.274 30.028 30.300 0.004 0.000 0.866 89 R HN 0.377 nan 8.270 nan 0.000 0.449 90 L N 0.050 121.274 121.223 0.002 0.000 2.478 90 L HA 0.006 4.346 4.340 -0.000 0.000 0.223 90 L C 1.025 177.899 176.870 0.007 0.000 1.140 90 L CA 0.387 55.229 54.840 0.004 0.000 0.842 90 L CB -0.005 42.053 42.059 -0.001 0.000 0.953 90 L HN 0.171 nan 8.230 nan 0.000 0.452 91 M N 1.734 121.339 119.600 0.009 0.000 3.561 91 M HA 0.077 4.557 4.480 -0.000 0.000 0.230 91 M C 0.185 176.495 176.300 0.015 0.000 1.387 91 M CA -0.107 55.201 55.300 0.012 0.000 1.570 91 M CB -0.175 32.433 32.600 0.013 0.000 1.057 91 M HN 0.162 nan 8.290 nan 0.000 0.607 92 N N -0.582 118.126 118.700 0.013 0.000 2.380 92 N HA 0.028 4.768 4.740 -0.000 0.000 0.255 92 N C -0.159 175.354 175.510 0.006 0.000 1.158 92 N CA -0.240 52.817 53.050 0.012 0.000 0.878 92 N CB 0.349 38.845 38.487 0.014 0.000 1.138 92 N HN 0.165 nan 8.380 nan 0.000 0.509 93 S N 0.707 116.411 115.700 0.008 0.000 2.533 93 S HA 0.333 4.803 4.470 -0.000 0.000 0.282 93 S C -0.056 174.544 174.600 -0.001 0.000 1.304 93 S CA -0.411 57.795 58.200 0.010 0.000 1.063 93 S CB 0.002 63.211 63.200 0.015 0.000 0.881 93 S HN 0.328 nan 8.310 nan 0.000 0.493 94 I N 4.730 125.298 120.570 -0.004 0.000 2.439 94 I HA 0.236 4.406 4.170 -0.000 0.000 0.283 94 I C -0.737 175.371 176.117 -0.016 0.000 1.023 94 I CA -0.649 60.624 61.300 -0.044 0.000 1.100 94 I CB 1.511 39.459 38.000 -0.088 0.000 1.238 94 I HN 0.711 nan 8.210 nan 0.000 0.445 95 H N 7.641 126.647 119.070 -0.107 0.000 2.551 95 H HA 0.463 5.019 4.556 -0.000 0.000 0.321 95 H C -0.995 174.236 175.328 -0.162 0.000 1.028 95 H CA -0.599 55.391 56.048 -0.096 0.000 1.215 95 H CB 0.976 30.706 29.762 -0.055 0.000 1.414 95 H HN 0.315 nan 8.280 nan 0.000 0.480 96 I N 5.011 125.092 120.570 -0.813 0.000 2.287 96 I HA 0.055 4.225 4.170 -0.000 0.000 0.290 96 I C 0.308 175.997 176.117 -0.714 0.000 1.069 96 I CA -0.414 60.394 61.300 -0.820 0.000 1.237 96 I CB 0.257 37.461 38.000 -1.327 0.000 1.418 96 I HN 0.747 nan 8.210 nan 0.000 0.481 97 D N 4.647 124.719 120.400 -0.546 0.000 2.713 97 D HA 0.034 4.674 4.640 -0.000 0.000 0.229 97 D C 1.567 177.813 176.300 -0.090 0.000 1.136 97 D CA -0.145 53.731 54.000 -0.207 0.000 1.010 97 D CB 0.565 41.345 40.800 -0.033 0.000 1.084 97 D HN 0.630 nan 8.370 nan 0.000 0.495 98 T N -0.489 114.058 114.554 -0.011 0.000 2.760 98 T HA -0.325 4.025 4.350 -0.000 0.000 0.269 98 T C 1.978 176.684 174.700 0.010 0.000 1.047 98 T CA 1.203 63.327 62.100 0.041 0.000 1.139 98 T CB -0.471 68.486 68.868 0.149 0.000 0.855 98 T HN 0.301 nan 8.240 nan 0.000 0.471 99 A N 2.390 125.221 122.820 0.018 0.000 1.848 99 A HA 0.116 4.436 4.320 -0.000 0.000 0.217 99 A C 2.544 180.124 177.584 -0.007 0.000 1.220 99 A CA 1.803 53.847 52.037 0.012 0.000 0.645 99 A CB -1.542 17.472 19.000 0.024 0.000 0.842 99 A HN 0.741 nan 8.150 nan 0.000 0.451 100 G N -1.486 107.304 108.800 -0.016 0.000 3.379 100 G HA2 0.333 4.293 3.960 -0.000 0.000 0.253 100 G HA3 0.333 4.293 3.960 -0.000 0.000 0.253 100 G C 0.472 175.330 174.900 -0.070 0.000 1.262 100 G CA 1.068 46.149 45.100 -0.032 0.000 0.959 100 G HN 1.161 nan 8.290 nan 0.000 0.524 101 S N -0.439 115.213 115.700 -0.081 0.000 3.378 101 S HA -0.206 4.264 4.470 -0.000 0.000 0.365 101 S C 0.753 175.231 174.600 -0.204 0.000 0.951 101 S CA 1.368 59.487 58.200 -0.135 0.000 1.274 101 S CB -0.922 62.196 63.200 -0.137 0.000 0.915 101 S HN 1.099 nan 8.310 nan 0.000 0.513 102 R N -0.268 120.123 120.500 -0.183 0.000 2.734 102 R HA 0.867 5.207 4.340 -0.000 0.000 0.271 102 R C -0.961 175.215 176.300 -0.206 0.000 1.021 102 R CA -0.628 55.354 56.100 -0.196 0.000 0.893 102 R CB 0.921 31.145 30.300 -0.128 0.000 1.244 102 R HN 0.466 nan 8.270 nan 0.000 0.464 103 A N 1.121 123.820 122.820 -0.201 0.000 2.423 103 A HA 0.745 5.065 4.320 -0.000 0.000 0.304 103 A C -1.220 176.293 177.584 -0.118 0.000 1.104 103 A CA -1.011 50.897 52.037 -0.215 0.000 0.757 103 A CB 1.952 20.777 19.000 -0.292 0.000 1.313 103 A HN 0.731 nan 8.150 nan 0.000 0.423 104 R N 1.548 122.009 120.500 -0.065 0.000 2.476 104 R HA 0.674 5.014 4.340 -0.000 0.000 0.305 104 R C -1.304 174.982 176.300 -0.022 0.000 0.965 104 R CA -0.358 55.745 56.100 0.006 0.000 0.867 104 R CB 0.756 31.111 30.300 0.092 0.000 1.176 104 R HN 0.853 nan 8.270 nan 0.000 0.447 105 I N 0.109 120.654 120.570 -0.042 0.000 2.934 105 I HA 0.674 4.844 4.170 -0.000 0.000 0.306 105 I C 0.006 176.125 176.117 0.002 0.000 1.110 105 I CA -1.363 59.907 61.300 -0.050 0.000 1.019 105 I CB 2.215 40.128 38.000 -0.146 0.000 1.227 105 I HN 0.614 nan 8.210 nan 0.000 0.434 106 G N 1.328 110.133 108.800 0.007 0.000 2.444 106 G HA2 0.404 4.364 3.960 -0.000 0.000 0.268 106 G HA3 0.404 4.364 3.960 -0.000 0.000 0.268 106 G C 0.929 175.855 174.900 0.042 0.000 1.203 106 G CA -0.130 44.985 45.100 0.026 0.000 0.835 106 G HN 1.083 nan 8.290 nan 0.000 0.543 107 G N 1.364 110.188 108.800 0.040 0.000 2.597 107 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.222 107 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.222 107 G C 1.492 176.418 174.900 0.044 0.000 1.135 107 G CA 1.325 46.448 45.100 0.039 0.000 0.759 107 G HN 1.086 nan 8.290 nan 0.000 0.595 108 G N -0.574 108.247 108.800 0.035 0.000 3.314 108 G HA2 0.356 4.316 3.960 -0.000 0.000 0.238 108 G HA3 0.356 4.316 3.960 -0.000 0.000 0.238 108 G C 0.234 175.164 174.900 0.049 0.000 1.184 108 G CA -0.173 44.948 45.100 0.035 0.000 0.806 108 G HN 0.305 nan 8.290 nan 0.000 0.536 109 V N 2.327 122.280 119.914 0.065 0.000 2.572 109 V HA 0.083 4.203 4.120 -0.000 0.000 0.291 109 V C 0.316 176.471 176.094 0.103 0.000 1.039 109 V CA -0.508 61.828 62.300 0.061 0.000 1.055 109 V CB 1.151 32.988 31.823 0.023 0.000 0.969 109 V HN 0.104 nan 8.190 nan 0.000 0.482 110 I N 4.307 124.925 120.570 0.079 0.000 2.371 110 I HA 0.175 4.345 4.170 -0.000 0.000 0.290 110 I C 1.679 177.862 176.117 0.109 0.000 1.028 110 I CA 0.355 61.713 61.300 0.096 0.000 1.345 110 I CB 0.691 38.739 38.000 0.081 0.000 1.407 110 I HN 0.727 nan 8.210 nan 0.000 0.501 111 S N 5.145 120.935 115.700 0.150 0.000 2.425 111 S HA -0.287 4.183 4.470 -0.000 0.000 0.256 111 S C 1.968 176.626 174.600 0.097 0.000 1.101 111 S CA 2.382 60.688 58.200 0.176 0.000 1.188 111 S CB -0.467 62.812 63.200 0.133 0.000 1.085 111 S HN 0.957 nan 8.310 nan 0.000 0.439 112 G N 1.441 110.282 108.800 0.068 0.000 2.469 112 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.219 112 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.219 112 G C 1.056 175.967 174.900 0.019 0.000 1.150 112 G CA 1.295 46.415 45.100 0.034 0.000 0.763 112 G HN 0.506 nan 8.290 nan 0.000 0.561 113 D N 0.197 120.610 120.400 0.021 0.000 2.144 113 D HA -0.095 4.545 4.640 -0.000 0.000 0.199 113 D C 2.394 178.674 176.300 -0.033 0.000 0.984 113 D CA 0.675 54.676 54.000 0.001 0.000 0.834 113 D CB -0.251 40.553 40.800 0.007 0.000 0.955 113 D HN 0.282 nan 8.370 nan 0.000 0.465 114 L N 1.007 122.199 121.223 -0.052 0.000 2.141 114 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 114 L C 2.108 178.925 176.870 -0.088 0.000 1.094 114 L CA 1.200 55.964 54.840 -0.126 0.000 0.763 114 L CB -0.530 41.392 42.059 -0.227 0.000 0.908 114 L HN -0.170 nan 8.230 nan 0.000 0.437 115 V N 0.133 120.033 119.914 -0.022 0.000 2.223 115 V HA -0.314 3.806 4.120 -0.000 0.000 0.244 115 V C 2.570 178.662 176.094 -0.003 0.000 1.045 115 V CA 2.209 64.517 62.300 0.014 0.000 1.000 115 V CB -0.786 31.045 31.823 0.013 0.000 0.635 115 V HN 0.432 nan 8.190 nan 0.000 0.445 116 K N -0.239 120.157 120.400 -0.007 0.000 2.052 116 K HA -0.319 4.001 4.320 -0.000 0.000 0.215 116 K C 2.229 178.832 176.600 0.005 0.000 1.053 116 K CA 2.249 58.539 56.287 0.004 0.000 0.934 116 K CB -0.339 32.165 32.500 0.007 0.000 0.717 116 K HN 0.349 nan 8.250 nan 0.000 0.450 117 E N 0.569 120.748 120.200 -0.036 0.000 2.038 117 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 117 E C 1.855 178.346 176.600 -0.182 0.000 1.000 117 E CA 1.694 58.046 56.400 -0.081 0.000 0.803 117 E CB -0.319 29.291 29.700 -0.149 0.000 0.750 117 E HN 0.332 nan 8.360 nan 0.000 0.448 118 A N 0.611 123.308 122.820 -0.205 0.000 1.940 118 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 118 A C 2.411 179.968 177.584 -0.045 0.000 1.176 118 A CA 2.248 54.145 52.037 -0.234 0.000 0.631 118 A CB -0.967 17.934 19.000 -0.166 0.000 0.814 118 A HN 0.349 nan 8.150 nan 0.000 0.446 119 A N 0.072 122.911 122.820 0.032 0.000 1.933 119 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 119 A C 1.982 179.658 177.584 0.154 0.000 1.175 119 A CA 1.782 53.873 52.037 0.091 0.000 0.628 119 A CB -0.484 18.561 19.000 0.075 0.000 0.814 119 A HN 0.569 nan 8.150 nan 0.000 0.444 120 K N -1.324 119.210 120.400 0.223 0.000 2.442 120 K HA -0.088 4.232 4.320 -0.000 0.000 0.199 120 K C 0.053 176.920 176.600 0.443 0.000 1.044 120 K CA 1.086 57.563 56.287 0.318 0.000 0.941 120 K CB -0.299 32.436 32.500 0.392 0.000 0.759 120 K HN 0.691 nan 8.250 nan 0.000 0.472 121 F N -0.462 119.470 119.950 -0.030 0.000 2.764 121 F HA 0.240 4.767 4.527 -0.000 0.000 0.310 121 F C 1.017 176.799 175.800 -0.029 0.000 1.124 121 F CA -0.610 57.367 58.000 -0.037 0.000 1.252 121 F CB 1.176 40.140 39.000 -0.060 0.000 1.010 121 F HN 0.036 nan 8.300 nan 0.000 0.518 122 G N 1.842 110.741 108.800 0.164 0.000 2.258 122 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.274 122 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.274 122 G C -0.156 174.790 174.900 0.076 0.000 1.021 122 G CA 0.229 45.386 45.100 0.094 0.000 0.798 122 G HN 0.375 nan 8.290 nan 0.000 0.507 123 L N -0.839 120.426 121.223 0.071 0.000 2.304 123 L HA 0.891 5.231 4.340 -0.000 0.000 0.268 123 L C 0.397 177.268 176.870 0.002 0.000 1.010 123 L CA -0.643 54.198 54.840 0.003 0.000 0.813 123 L CB 2.135 44.155 42.059 -0.066 0.000 1.315 123 L HN 0.389 nan 8.230 nan 0.000 0.445 124 A N 0.837 123.638 122.820 -0.031 0.000 2.488 124 A HA 0.837 5.157 4.320 -0.000 0.000 0.298 124 A C -1.175 176.389 177.584 -0.034 0.000 1.044 124 A CA -0.389 51.651 52.037 0.005 0.000 0.693 124 A CB 1.752 20.723 19.000 -0.049 0.000 1.272 124 A HN 0.708 nan 8.150 nan 0.000 0.402 125 A N 0.933 123.768 122.820 0.025 0.000 2.320 125 A HA 0.694 5.014 4.320 -0.000 0.000 0.334 125 A C -0.400 177.266 177.584 0.138 0.000 1.147 125 A CA -0.500 51.547 52.037 0.018 0.000 0.820 125 A CB 0.988 19.943 19.000 -0.075 0.000 1.218 125 A HN 1.351 nan 8.150 nan 0.000 0.482 126 V N 2.939 122.954 119.914 0.169 0.000 2.387 126 V HA 0.422 4.542 4.120 -0.000 0.000 0.260 126 V C 0.721 176.971 176.094 0.258 0.000 1.054 126 V CA 0.637 63.051 62.300 0.189 0.000 0.967 126 V CB -0.396 31.529 31.823 0.170 0.000 1.036 126 V HN 1.132 nan 8.190 nan 0.000 0.481 127 T N 1.993 116.694 114.554 0.246 0.000 2.693 127 T HA 0.759 5.109 4.350 -0.000 0.000 0.278 127 T C 0.407 175.152 174.700 0.075 0.000 0.994 127 T CA -0.202 62.025 62.100 0.212 0.000 1.033 127 T CB 1.427 70.466 68.868 0.284 0.000 1.342 127 T HN 0.675 nan 8.240 nan 0.000 0.538 128 G N -0.455 108.351 108.800 0.010 0.000 2.621 128 G HA2 0.458 4.418 3.960 -0.000 0.000 0.271 128 G HA3 0.458 4.418 3.960 -0.000 0.000 0.271 128 G C 0.610 175.482 174.900 -0.048 0.000 1.236 128 G CA -0.837 44.213 45.100 -0.084 0.000 0.958 128 G HN 0.763 nan 8.290 nan 0.000 0.512 129 M N -0.527 118.978 119.600 -0.158 0.000 2.558 129 M HA 0.067 4.547 4.480 -0.000 0.000 0.255 129 M C 0.604 176.916 176.300 0.019 0.000 1.113 129 M CA 0.505 55.718 55.300 -0.145 0.000 1.097 129 M CB 0.061 32.358 32.600 -0.506 0.000 1.426 129 M HN 0.408 nan 8.290 nan 0.000 0.488 130 H N 1.859 120.865 119.070 -0.106 0.000 2.476 130 H HA 0.224 4.780 4.556 -0.000 0.000 0.328 130 H C -1.991 173.275 175.328 -0.103 0.000 1.073 130 H CA -1.826 54.153 56.048 -0.115 0.000 1.229 130 H CB 1.888 31.508 29.762 -0.236 0.000 1.432 130 H HN -0.071 nan 8.280 nan 0.000 0.477 131 P HA -0.082 nan 4.420 nan 0.000 0.226 131 P C 0.840 178.212 177.300 0.121 0.000 1.153 131 P CA 0.642 63.749 63.100 0.012 0.000 0.777 131 P CB 0.676 32.338 31.700 -0.063 0.000 0.794 132 K N 0.324 120.909 120.400 0.308 0.000 2.305 132 K HA 0.076 4.396 4.320 -0.000 0.000 0.199 132 K C 1.183 177.845 176.600 0.105 0.000 1.047 132 K CA 0.258 56.688 56.287 0.238 0.000 0.976 132 K CB -0.487 32.244 32.500 0.385 0.000 0.765 132 K HN 0.197 nan 8.250 nan 0.000 0.474 133 V N -0.114 119.748 119.914 -0.087 0.000 2.715 133 V HA 0.394 4.514 4.120 -0.000 0.000 0.299 133 V C 0.658 176.757 176.094 0.007 0.000 1.054 133 V CA -0.795 61.423 62.300 -0.137 0.000 1.077 133 V CB 0.614 32.258 31.823 -0.299 0.000 0.972 133 V HN 0.166 nan 8.190 nan 0.000 0.484 134 G N 2.427 111.245 108.800 0.029 0.000 2.441 134 G HA2 0.243 4.203 3.960 -0.000 0.000 0.243 134 G HA3 0.243 4.203 3.960 -0.000 0.000 0.243 134 G C -0.028 174.895 174.900 0.037 0.000 1.281 134 G CA -0.075 45.057 45.100 0.053 0.000 0.854 134 G HN 0.931 nan 8.290 nan 0.000 0.560 135 F N 1.603 121.542 119.950 -0.018 0.000 2.102 135 F HA -0.138 4.389 4.527 0.000 0.000 0.298 135 F C 2.558 178.337 175.800 -0.034 0.000 1.105 135 F CA 1.646 59.632 58.000 -0.025 0.000 1.239 135 F CB -0.208 38.781 39.000 -0.020 0.000 0.991 135 F HN 0.403 nan 8.300 nan 0.000 0.474 136 C N 0.420 119.683 119.300 -0.062 0.000 2.450 136 C HA 0.009 4.469 4.460 -0.000 0.000 0.279 136 C C 3.085 177.953 174.990 -0.203 0.000 1.335 136 C CA 1.037 59.962 59.018 -0.155 0.000 1.749 136 C CB -1.859 25.869 27.740 -0.020 0.000 1.963 136 C HN 0.714 nan 8.230 nan 0.000 0.501 137 G N 0.252 108.968 108.800 -0.140 0.000 2.442 137 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.219 137 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.219 137 G C 1.608 176.411 174.900 -0.161 0.000 1.141 137 G CA 1.003 46.026 45.100 -0.127 0.000 0.763 137 G HN 0.571 nan 8.290 nan 0.000 0.554 138 L N -0.108 120.986 121.223 -0.214 0.000 2.145 138 L HA 0.364 4.704 4.340 -0.000 0.000 0.201 138 L C 3.043 179.724 176.870 -0.314 0.000 1.075 138 L CA 1.375 56.078 54.840 -0.228 0.000 0.773 138 L CB -0.205 41.719 42.059 -0.225 0.000 0.936 138 L HN 0.213 nan 8.230 nan 0.000 0.451 139 A N 0.184 122.668 122.820 -0.559 0.000 1.930 139 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 139 A C 2.103 179.493 177.584 -0.324 0.000 1.175 139 A CA 1.375 53.065 52.037 -0.579 0.000 0.627 139 A CB -0.787 17.504 19.000 -1.182 0.000 0.815 139 A HN 0.509 nan 8.150 nan 0.000 0.443 140 L N -0.245 120.810 121.223 -0.280 0.000 2.465 140 L HA -0.044 4.296 4.340 -0.000 0.000 0.224 140 L C 1.100 177.887 176.870 -0.139 0.000 1.145 140 L CA 0.511 55.236 54.840 -0.192 0.000 0.834 140 L CB -0.255 41.693 42.059 -0.185 0.000 0.944 140 L HN 0.367 nan 8.230 nan 0.000 0.451 141 N N -0.592 118.038 118.700 -0.117 0.000 2.187 141 N HA 0.185 4.925 4.740 -0.000 0.000 0.212 141 N C 0.899 176.415 175.510 0.009 0.000 1.152 141 N CA 0.870 53.926 53.050 0.010 0.000 0.872 141 N CB 1.714 40.246 38.487 0.074 0.000 1.025 141 N HN 0.374 nan 8.380 nan 0.000 0.514 142 G N 0.563 109.316 108.800 -0.079 0.000 2.680 142 G HA2 0.089 4.049 3.960 -0.000 0.000 0.222 142 G HA3 0.089 4.049 3.960 -0.000 0.000 0.222 142 G C -0.124 174.692 174.900 -0.139 0.000 1.460 142 G CA 0.088 45.125 45.100 -0.105 0.000 1.275 142 G HN 0.747 nan 8.290 nan 0.000 0.506 143 G N -1.300 107.419 108.800 -0.136 0.000 3.355 143 G HA2 0.535 4.495 3.960 -0.000 0.000 0.686 143 G HA3 0.535 4.495 3.960 -0.000 0.000 0.686 143 G C -0.143 174.624 174.900 -0.222 0.000 1.097 143 G CA 0.536 45.533 45.100 -0.172 0.000 0.881 143 G HN 2.237 nan 8.290 nan 0.000 0.550 144 V N 1.185 120.924 119.914 -0.291 0.000 2.815 144 V HA 1.106 5.226 4.120 -0.000 0.000 0.314 144 V C 0.731 176.503 176.094 -0.538 0.000 1.064 144 V CA 0.317 62.309 62.300 -0.514 0.000 0.952 144 V CB 1.776 33.182 31.823 -0.695 0.000 1.020 144 V HN 2.588 nan 8.190 nan 0.000 0.439 145 G N 0.906 109.312 108.800 -0.657 0.000 2.490 145 G HA2 0.425 4.385 3.960 -0.000 0.000 0.308 145 G HA3 0.425 4.385 3.960 -0.000 0.000 0.308 145 G C -0.595 174.063 174.900 -0.404 0.000 1.286 145 G CA -0.279 44.518 45.100 -0.504 0.000 0.825 145 G HN 0.552 nan 8.290 nan 0.000 0.479 146 F N 0.074 120.030 119.950 0.010 0.000 2.161 146 F HA 0.058 4.585 4.527 -0.000 0.000 0.300 146 F C 2.540 178.375 175.800 0.058 0.000 1.089 146 F CA 1.238 59.304 58.000 0.110 0.000 1.282 146 F CB -0.240 38.929 39.000 0.282 0.000 1.010 146 F HN 0.083 nan 8.300 nan 0.000 0.485 147 L N -0.936 120.413 121.223 0.209 0.000 2.599 147 L HA -0.031 4.309 4.340 -0.000 0.000 0.230 147 L C 1.996 178.844 176.870 -0.036 0.000 1.141 147 L CA 0.347 55.219 54.840 0.054 0.000 0.877 147 L CB -1.055 41.031 42.059 0.046 0.000 1.009 147 L HN 0.089 nan 8.230 nan 0.000 0.447 148 T N 0.570 115.052 114.554 -0.121 0.000 2.737 148 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 148 T C -0.471 174.078 174.700 -0.251 0.000 1.040 148 T CA 1.467 63.404 62.100 -0.272 0.000 1.142 148 T CB -0.889 67.655 68.868 -0.540 0.000 0.861 148 T HN 0.262 nan 8.240 nan 0.000 0.456 149 P HA -0.057 nan 4.420 nan 0.000 0.215 149 P C 1.425 178.619 177.300 -0.176 0.000 1.153 149 P CA 1.289 64.332 63.100 -0.096 0.000 0.853 149 P CB 0.049 31.736 31.700 -0.023 0.000 0.788 150 K N -2.481 117.727 120.400 -0.320 0.000 2.168 150 K HA 0.049 4.369 4.320 -0.000 0.000 0.201 150 K C 1.483 177.634 176.600 -0.749 0.000 1.049 150 K CA 1.042 56.965 56.287 -0.607 0.000 0.974 150 K CB -0.074 31.840 32.500 -0.977 0.000 0.792 150 K HN 0.178 nan 8.250 nan 0.000 0.463 151 Y N 0.121 120.284 120.300 -0.228 0.000 2.444 151 Y HA 0.246 4.796 4.550 -0.000 0.000 0.249 151 Y C 1.115 176.942 175.900 -0.121 0.000 1.134 151 Y CA 0.134 58.088 58.100 -0.243 0.000 1.261 151 Y CB 0.728 38.941 38.460 -0.412 0.000 1.143 151 Y HN 0.219 nan 8.280 nan 0.000 0.523 152 G N 0.643 109.409 108.800 -0.057 0.000 2.527 152 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.227 152 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.227 152 G C -0.670 174.159 174.900 -0.118 0.000 1.291 152 G CA -0.583 44.479 45.100 -0.064 0.000 0.904 152 G HN 0.106 nan 8.290 nan 0.000 0.577 153 L N 0.795 121.992 121.223 -0.044 0.000 2.395 153 L HA 0.522 4.862 4.340 -0.000 0.000 0.269 153 L C 2.275 179.126 176.870 -0.032 0.000 1.133 153 L CA -0.066 54.713 54.840 -0.101 0.000 0.812 153 L CB 0.937 42.921 42.059 -0.125 0.000 1.125 153 L HN 1.137 nan 8.230 nan 0.000 0.452 154 A N 1.560 124.341 122.820 -0.065 0.000 1.986 154 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 154 A C 2.346 179.922 177.584 -0.014 0.000 1.171 154 A CA 2.202 54.230 52.037 -0.015 0.000 0.640 154 A CB -0.754 18.169 19.000 -0.129 0.000 0.811 154 A HN 0.937 nan 8.150 nan 0.000 0.451 155 S N 0.476 116.133 115.700 -0.071 0.000 2.368 155 S HA -0.184 4.286 4.470 -0.000 0.000 0.225 155 S C 1.275 175.867 174.600 -0.014 0.000 1.030 155 S CA 1.310 59.467 58.200 -0.073 0.000 0.999 155 S CB -0.615 62.526 63.200 -0.098 0.000 0.844 155 S HN 0.585 nan 8.310 nan 0.000 0.459 156 D N 2.210 122.639 120.400 0.050 0.000 2.351 156 D HA -0.020 4.620 4.640 -0.000 0.000 0.216 156 D C 0.772 177.148 176.300 0.126 0.000 0.968 156 D CA 0.598 54.661 54.000 0.103 0.000 0.899 156 D CB -0.439 40.469 40.800 0.181 0.000 0.907 156 D HN 0.541 nan 8.370 nan 0.000 0.514 157 N N 0.354 119.135 118.700 0.134 0.000 2.235 157 N HA 0.115 4.855 4.740 -0.000 0.000 0.209 157 N C 0.239 175.838 175.510 0.148 0.000 1.122 157 N CA -0.073 53.081 53.050 0.173 0.000 0.845 157 N CB 1.422 40.041 38.487 0.221 0.000 1.004 157 N HN 0.213 nan 8.380 nan 0.000 0.499 158 I N 1.586 122.232 120.570 0.126 0.000 2.352 158 I HA 0.064 4.234 4.170 -0.000 0.000 0.290 158 I C 1.434 177.721 176.117 0.282 0.000 1.036 158 I CA -0.145 61.245 61.300 0.150 0.000 1.336 158 I CB 1.229 39.260 38.000 0.051 0.000 1.407 158 I HN -0.100 nan 8.210 nan 0.000 0.497 159 L N 5.997 127.377 121.223 0.261 0.000 2.202 159 L HA 0.287 4.627 4.340 -0.000 0.000 0.205 159 L C 1.047 178.048 176.870 0.219 0.000 1.083 159 L CA 0.282 55.279 54.840 0.261 0.000 0.790 159 L CB -0.140 41.983 42.059 0.107 0.000 0.942 159 L HN 0.742 nan 8.230 nan 0.000 0.452 160 G N -1.201 107.739 108.800 0.232 0.000 2.601 160 G HA2 0.687 4.647 3.960 -0.000 0.000 0.291 160 G HA3 0.687 4.647 3.960 -0.000 0.000 0.291 160 G C -2.136 172.758 174.900 -0.009 0.000 1.456 160 G CA 0.136 45.246 45.100 0.016 0.000 0.804 160 G HN 0.078 nan 8.290 nan 0.000 0.499 161 A N -0.182 122.469 122.820 -0.281 0.000 2.574 161 A HA 0.881 5.201 4.320 -0.000 0.000 0.297 161 A C -0.516 176.918 177.584 -0.250 0.000 1.062 161 A CA -0.525 51.420 52.037 -0.153 0.000 0.686 161 A CB 1.772 20.742 19.000 -0.051 0.000 1.285 161 A HN 0.997 nan 8.150 nan 0.000 0.403 162 T N 1.857 116.398 114.554 -0.021 0.000 2.797 162 T HA 0.646 4.996 4.350 -0.000 0.000 0.279 162 T C -0.802 173.907 174.700 0.016 0.000 0.991 162 T CA -0.103 62.040 62.100 0.071 0.000 0.979 162 T CB 0.627 69.601 68.868 0.178 0.000 0.943 162 T HN 0.414 nan 8.240 nan 0.000 0.444 163 L N 2.671 123.901 121.223 0.011 0.000 2.371 163 L HA 0.657 4.997 4.340 -0.000 0.000 0.262 163 L C -0.578 176.310 176.870 0.030 0.000 1.006 163 L CA -0.865 53.967 54.840 -0.013 0.000 0.818 163 L CB 2.177 44.202 42.059 -0.056 0.000 1.354 163 L HN 0.366 nan 8.230 nan 0.000 0.415 164 V N 0.719 120.648 119.914 0.024 0.000 2.347 164 V HA 0.503 4.623 4.120 -0.000 0.000 0.280 164 V C 0.435 176.603 176.094 0.124 0.000 1.021 164 V CA -0.583 61.766 62.300 0.081 0.000 0.847 164 V CB 1.540 33.415 31.823 0.087 0.000 0.990 164 V HN 0.945 nan 8.190 nan 0.000 0.444 165 T N 2.668 117.332 114.554 0.184 0.000 2.732 165 T HA 0.456 4.806 4.350 -0.000 0.000 0.287 165 T C 1.544 176.480 174.700 0.393 0.000 0.993 165 T CA 0.171 62.446 62.100 0.291 0.000 0.966 165 T CB 1.291 70.328 68.868 0.281 0.000 1.047 165 T HN 0.729 nan 8.240 nan 0.000 0.527 166 A N 0.681 123.777 122.820 0.461 0.000 1.986 166 A HA -0.064 4.256 4.320 -0.000 0.000 0.220 166 A C 2.478 180.116 177.584 0.090 0.000 1.171 166 A CA 2.280 54.424 52.037 0.179 0.000 0.640 166 A CB -1.770 17.240 19.000 0.018 0.000 0.811 166 A HN 1.130 nan 8.150 nan 0.000 0.451 167 T N -4.678 109.946 114.554 0.118 0.000 3.148 167 T HA 0.386 4.736 4.350 -0.000 0.000 0.253 167 T C 1.440 176.193 174.700 0.089 0.000 1.134 167 T CA 1.089 63.237 62.100 0.079 0.000 1.051 167 T CB 0.080 68.990 68.868 0.070 0.000 0.959 167 T HN 1.719 nan 8.240 nan 0.000 0.525 168 G N 1.010 109.884 108.800 0.123 0.000 2.213 168 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.236 168 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.236 168 G C -0.182 174.781 174.900 0.105 0.000 0.991 168 G CA -0.058 45.110 45.100 0.113 0.000 0.629 168 G HN 0.717 nan 8.290 nan 0.000 0.517 169 D N 0.951 121.416 120.400 0.109 0.000 2.417 169 D HA 0.402 5.042 4.640 -0.000 0.000 0.250 169 D C 0.715 177.079 176.300 0.108 0.000 1.166 169 D CA 0.071 54.131 54.000 0.100 0.000 0.881 169 D CB 1.097 41.958 40.800 0.103 0.000 1.164 169 D HN 0.205 nan 8.370 nan 0.000 0.467 170 V N 5.870 125.838 119.914 0.091 0.000 2.461 170 V HA 0.315 4.434 4.120 -0.000 0.000 0.275 170 V C 0.589 176.744 176.094 0.101 0.000 1.047 170 V CA -0.313 62.041 62.300 0.089 0.000 0.955 170 V CB 0.333 32.200 31.823 0.073 0.000 0.988 170 V HN 0.467 nan 8.190 nan 0.000 0.471 171 I N 2.607 123.242 120.570 0.110 0.000 3.042 171 I HA 0.721 4.891 4.170 -0.000 0.000 0.310 171 I C -1.604 174.606 176.117 0.154 0.000 1.117 171 I CA -1.074 60.304 61.300 0.131 0.000 1.003 171 I CB 2.442 40.526 38.000 0.140 0.000 1.228 171 I HN 0.503 nan 8.210 nan 0.000 0.443 172 Y N 3.160 123.476 120.300 0.026 0.000 2.562 172 Y HA 0.773 5.323 4.550 0.000 0.000 0.343 172 Y C -0.708 175.195 175.900 0.006 0.000 1.025 172 Y CA -0.713 57.394 58.100 0.011 0.000 1.082 172 Y CB 1.869 40.329 38.460 -0.001 0.000 1.264 172 Y HN 1.076 nan 8.280 nan 0.000 0.478 173 C N 2.489 121.373 119.300 -0.694 0.000 2.985 173 C HA 0.955 5.415 4.460 -0.000 0.000 0.332 173 C C -0.938 173.652 174.990 -0.666 0.000 1.164 173 C CA -0.043 58.736 59.018 -0.398 0.000 1.347 173 C CB 0.823 28.479 27.740 -0.140 0.000 1.764 173 C HN 1.187 nan 8.230 nan 0.000 0.489 174 S N 0.606 115.940 115.700 -0.610 0.000 2.724 174 S HA 0.514 4.984 4.470 -0.000 0.000 0.278 174 S C 0.277 174.249 174.600 -1.048 0.000 1.190 174 S CA 0.226 57.634 58.200 -1.321 0.000 0.860 174 S CB 0.743 63.599 63.200 -0.574 0.000 1.206 174 S HN 0.971 nan 8.310 nan 0.000 0.507 175 D N 0.665 120.494 120.400 -0.952 0.000 2.265 175 D HA -0.146 4.494 4.640 -0.000 0.000 0.208 175 D C 0.550 176.781 176.300 -0.116 0.000 0.977 175 D CA 1.383 55.220 54.000 -0.273 0.000 0.871 175 D CB -0.471 40.271 40.800 -0.096 0.000 0.925 175 D HN 0.558 nan 8.370 nan 0.000 0.485 176 D N 0.516 120.836 120.400 -0.132 0.000 2.202 176 D HA -0.057 4.583 4.640 -0.000 0.000 0.214 176 D C 0.576 176.868 176.300 -0.013 0.000 0.967 176 D CA 0.403 54.377 54.000 -0.044 0.000 0.871 176 D CB -0.178 40.606 40.800 -0.027 0.000 1.020 176 D HN 0.171 nan 8.370 nan 0.000 0.474 177 E N 1.196 121.392 120.200 -0.005 0.000 2.180 177 E HA 0.148 4.498 4.350 -0.000 0.000 0.283 177 E C -0.686 175.930 176.600 0.027 0.000 1.061 177 E CA -0.287 56.143 56.400 0.050 0.000 0.861 177 E CB 0.181 29.985 29.700 0.173 0.000 1.056 177 E HN -0.032 nan 8.360 nan 0.000 0.407 178 R N 4.272 124.808 120.500 0.060 0.000 2.837 178 R HA -0.153 4.187 4.340 -0.000 0.000 0.264 178 R C -1.861 174.492 176.300 0.087 0.000 0.906 178 R CA 0.461 56.611 56.100 0.084 0.000 0.711 178 R CB -0.785 29.571 30.300 0.092 0.000 1.701 178 R HN 0.593 nan 8.270 nan 0.000 0.514 179 P HA -0.176 nan 4.420 nan 0.000 0.217 179 P C 0.981 178.408 177.300 0.212 0.000 1.151 179 P CA 1.128 64.325 63.100 0.163 0.000 0.828 179 P CB 0.290 32.056 31.700 0.109 0.000 0.788 180 E N 0.114 120.396 120.200 0.135 0.000 2.118 180 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 180 E C 1.913 178.598 176.600 0.141 0.000 0.992 180 E CA 0.758 57.238 56.400 0.134 0.000 0.804 180 E CB -1.140 28.603 29.700 0.073 0.000 0.741 180 E HN 0.099 nan 8.360 nan 0.000 0.458 181 L N -0.440 120.797 121.223 0.023 0.000 2.095 181 L HA 0.046 4.386 4.340 -0.000 0.000 0.204 181 L C 2.032 178.822 176.870 -0.134 0.000 1.080 181 L CA 1.562 56.260 54.840 -0.237 0.000 0.759 181 L CB -0.914 40.861 42.059 -0.474 0.000 0.914 181 L HN 0.214 nan 8.230 nan 0.000 0.439 182 F N -0.739 119.136 119.950 -0.126 0.000 2.161 182 F HA -0.233 4.294 4.527 0.000 0.000 0.300 182 F C 2.132 177.911 175.800 -0.036 0.000 1.089 182 F CA 1.797 59.736 58.000 -0.102 0.000 1.282 182 F CB -0.700 38.264 39.000 -0.061 0.000 1.010 182 F HN 0.400 nan 8.300 nan 0.000 0.485 183 W N 1.222 122.431 121.300 -0.152 0.000 2.353 183 W HA -0.155 4.505 4.660 -0.000 0.000 0.319 183 W C 2.390 178.778 176.519 -0.219 0.000 1.207 183 W CA 2.858 60.086 57.345 -0.196 0.000 1.291 183 W CB -1.052 28.364 29.460 -0.073 0.000 1.159 183 W HN 0.036 nan 8.180 nan 0.000 0.478 184 A N 0.060 122.620 122.820 -0.434 0.000 1.940 184 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 184 A C 2.012 179.342 177.584 -0.423 0.000 1.176 184 A CA 2.200 53.814 52.037 -0.705 0.000 0.631 184 A CB -1.238 17.436 19.000 -0.542 0.000 0.814 184 A HN 0.253 nan 8.150 nan 0.000 0.446 185 V N 0.184 119.891 119.914 -0.346 0.000 2.720 185 V HA -0.157 3.963 4.120 -0.000 0.000 0.256 185 V C 1.415 177.340 176.094 -0.281 0.000 1.082 185 V CA 1.355 63.524 62.300 -0.217 0.000 1.101 185 V CB -0.782 30.914 31.823 -0.212 0.000 0.693 185 V HN 0.463 nan 8.190 nan 0.000 0.479 186 R N 0.251 120.495 120.500 -0.425 0.000 4.390 186 R HA 0.413 4.753 4.340 -0.000 0.000 0.229 186 R C 1.010 177.152 176.300 -0.263 0.000 1.674 186 R CA 0.648 56.534 56.100 -0.357 0.000 1.526 186 R CB 0.070 30.106 30.300 -0.439 0.000 1.418 186 R HN 0.471 nan 8.270 nan 0.000 0.790 187 G N -0.593 108.104 108.800 -0.172 0.000 3.259 187 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.217 187 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.217 187 G C 0.334 175.294 174.900 0.100 0.000 0.993 187 G CA 0.057 45.136 45.100 -0.034 0.000 0.836 187 G HN 0.426 nan 8.290 nan 0.000 0.514 188 A N 0.498 123.300 122.820 -0.029 0.000 2.543 188 A HA 0.677 4.997 4.320 -0.000 0.000 0.279 188 A C 1.889 179.406 177.584 -0.113 0.000 0.917 188 A CA 1.201 53.215 52.037 -0.038 0.000 1.036 188 A CB -0.252 18.626 19.000 -0.203 0.000 1.227 188 A HN 1.409 nan 8.150 nan 0.000 0.503 189 G N 2.089 110.830 108.800 -0.098 0.000 2.631 189 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 189 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 189 G C -0.202 174.542 174.900 -0.260 0.000 1.214 189 G CA 1.857 46.898 45.100 -0.098 0.000 0.785 189 G HN 0.442 nan 8.290 nan 0.000 0.596 190 P HA -0.178 nan 4.420 nan 0.000 0.219 190 P C 1.664 178.651 177.300 -0.523 0.000 1.151 190 P CA 1.374 64.230 63.100 -0.407 0.000 0.850 190 P CB -0.125 31.345 31.700 -0.385 0.000 0.784 191 N N -2.060 116.221 118.700 -0.699 0.000 2.443 191 N HA -0.093 4.647 4.740 -0.000 0.000 0.184 191 N C 0.939 175.827 175.510 -1.036 0.000 1.037 191 N CA 1.065 53.558 53.050 -0.927 0.000 0.896 191 N CB -0.200 37.520 38.487 -1.278 0.000 0.959 191 N HN 0.251 nan 8.380 nan 0.000 0.442 192 F N -0.861 118.983 119.950 -0.177 0.000 2.694 192 F HA 0.374 4.901 4.527 0.000 0.000 0.292 192 F C 1.527 177.210 175.800 -0.196 0.000 1.121 192 F CA -0.075 57.855 58.000 -0.117 0.000 1.352 192 F CB 0.279 39.166 39.000 -0.188 0.000 1.107 192 F HN -0.135 nan 8.300 nan 0.000 0.597 193 G N -0.426 108.076 108.800 -0.497 0.000 2.364 193 G HA2 0.455 4.415 3.960 -0.000 0.000 0.286 193 G HA3 0.455 4.415 3.960 -0.000 0.000 0.286 193 G C -2.026 172.350 174.900 -0.874 0.000 1.241 193 G CA -0.590 44.072 45.100 -0.730 0.000 0.887 193 G HN -0.233 nan 8.290 nan 0.000 0.484 194 V N 0.944 120.575 119.914 -0.471 0.000 2.378 194 V HA 0.467 4.587 4.120 -0.000 0.000 0.288 194 V C 0.173 176.176 176.094 -0.151 0.000 1.016 194 V CA -0.672 61.450 62.300 -0.297 0.000 0.840 194 V CB 1.284 33.027 31.823 -0.134 0.000 0.994 194 V HN 0.598 nan 8.190 nan 0.000 0.431 195 V N 5.248 125.081 119.914 -0.135 0.000 2.397 195 V HA 0.073 4.193 4.120 -0.000 0.000 0.262 195 V C 1.633 177.712 176.094 -0.026 0.000 1.047 195 V CA 0.844 63.102 62.300 -0.069 0.000 1.003 195 V CB 0.872 32.658 31.823 -0.062 0.000 1.037 195 V HN 1.105 nan 8.190 nan 0.000 0.480 196 T N 1.105 115.658 114.554 -0.001 0.000 3.054 196 T HA 0.139 4.489 4.350 -0.000 0.000 0.259 196 T C 0.460 175.180 174.700 0.033 0.000 1.092 196 T CA 0.296 62.407 62.100 0.017 0.000 1.121 196 T CB 0.375 69.259 68.868 0.027 0.000 0.912 196 T HN 0.632 nan 8.240 nan 0.000 0.489 197 E N -0.348 119.879 120.200 0.045 0.000 2.347 197 E HA 0.537 4.887 4.350 -0.000 0.000 0.285 197 E C -2.224 174.420 176.600 0.074 0.000 0.925 197 E CA -0.710 55.727 56.400 0.062 0.000 0.779 197 E CB 2.826 32.571 29.700 0.075 0.000 1.233 197 E HN 0.057 nan 8.360 nan 0.000 0.414 198 V N 3.499 123.461 119.914 0.080 0.000 2.680 198 V HA 0.458 4.578 4.120 -0.000 0.000 0.309 198 V C -1.081 175.062 176.094 0.082 0.000 1.052 198 V CA -0.449 61.910 62.300 0.099 0.000 0.908 198 V CB 1.932 33.854 31.823 0.166 0.000 1.001 198 V HN 0.764 nan 8.190 nan 0.000 0.431 199 E N 3.706 123.965 120.200 0.099 0.000 2.113 199 E HA 0.578 4.928 4.350 -0.000 0.000 0.273 199 E C -1.565 175.075 176.600 0.067 0.000 0.924 199 E CA -0.250 56.194 56.400 0.073 0.000 0.764 199 E CB 2.006 31.776 29.700 0.117 0.000 1.104 199 E HN 0.527 nan 8.360 nan 0.000 0.406 200 V N 4.106 124.016 119.914 -0.007 0.000 2.769 200 V HA 0.253 4.373 4.120 -0.000 0.000 0.312 200 V C -0.527 175.512 176.094 -0.093 0.000 1.061 200 V CA -0.609 61.689 62.300 -0.003 0.000 0.931 200 V CB 2.076 33.896 31.823 -0.006 0.000 1.010 200 V HN 0.753 nan 8.190 nan 0.000 0.433 201 Q N 3.451 123.192 119.800 -0.097 0.000 2.327 201 Q HA 0.503 4.843 4.340 -0.000 0.000 0.254 201 Q C -1.257 174.456 176.000 -0.479 0.000 0.952 201 Q CA -0.104 55.534 55.803 -0.275 0.000 0.884 201 Q CB 1.097 29.673 28.738 -0.269 0.000 1.224 201 Q HN 0.704 nan 8.270 nan 0.000 0.422 202 L N 2.935 123.779 121.223 -0.631 0.000 2.313 202 L HA 0.591 4.931 4.340 -0.000 0.000 0.268 202 L C -1.116 175.153 176.870 -1.002 0.000 1.010 202 L CA -0.906 53.560 54.840 -0.624 0.000 0.814 202 L CB 1.254 43.098 42.059 -0.358 0.000 1.304 202 L HN 0.711 nan 8.230 nan 0.000 0.441 203 Y N -1.552 118.590 120.300 -0.263 0.000 2.715 203 Y HA 0.285 4.835 4.550 -0.000 0.000 0.331 203 Y C -0.219 175.591 175.900 -0.151 0.000 1.197 203 Y CA -1.066 56.868 58.100 -0.276 0.000 1.079 203 Y CB 0.845 38.948 38.460 -0.594 0.000 1.298 203 Y HN 0.333 nan 8.280 nan 0.000 0.477 204 E N 2.053 122.318 120.200 0.108 0.000 2.383 204 E HA 0.016 4.366 4.350 -0.000 0.000 0.257 204 E C -0.731 175.897 176.600 0.046 0.000 1.079 204 E CA -0.110 56.331 56.400 0.068 0.000 0.934 204 E CB 0.445 30.195 29.700 0.084 0.000 0.978 204 E HN 0.492 nan 8.360 nan 0.000 0.462 205 L N 7.466 128.712 121.223 0.039 0.000 2.654 205 L HA 0.068 4.408 4.340 -0.000 0.000 0.271 205 L C -2.284 174.620 176.870 0.055 0.000 1.169 205 L CA -0.777 54.094 54.840 0.052 0.000 0.947 205 L CB 0.090 42.197 42.059 0.080 0.000 1.232 205 L HN 0.172 nan 8.230 nan 0.000 0.486 206 P HA 0.132 nan 4.420 nan 0.000 0.264 206 P C -0.076 177.267 177.300 0.072 0.000 1.229 206 P CA 0.175 63.305 63.100 0.050 0.000 0.780 206 P CB 0.562 32.287 31.700 0.040 0.000 0.808 207 R N 2.548 123.075 120.500 0.045 0.000 2.210 207 R HA 0.102 4.442 4.340 -0.000 0.000 0.203 207 R C 0.107 176.420 176.300 0.021 0.000 1.010 207 R CA 0.846 56.967 56.100 0.036 0.000 1.008 207 R CB 0.322 30.638 30.300 0.026 0.000 0.923 207 R HN 0.343 nan 8.270 nan 0.000 0.469 208 K N 0.683 121.093 120.400 0.016 0.000 2.701 208 K HA 0.287 4.607 4.320 -0.000 0.000 0.212 208 K C -1.181 175.420 176.600 0.002 0.000 1.035 208 K CA -0.062 56.227 56.287 0.003 0.000 1.048 208 K CB 1.804 34.302 32.500 -0.003 0.000 1.234 208 K HN -0.063 nan 8.250 nan 0.000 0.540 209 M N 2.338 121.940 119.600 0.003 0.000 2.537 209 M HA 0.429 4.909 4.480 -0.000 0.000 0.324 209 M C -0.412 175.886 176.300 -0.004 0.000 1.187 209 M CA -0.940 54.367 55.300 0.012 0.000 0.993 209 M CB 1.456 34.063 32.600 0.011 0.000 1.666 209 M HN 0.216 nan 8.290 nan 0.000 0.461 210 L N 2.427 123.661 121.223 0.019 0.000 2.283 210 L HA 0.643 4.983 4.340 -0.000 0.000 0.287 210 L C -0.264 176.609 176.870 0.005 0.000 1.073 210 L CA -0.407 54.437 54.840 0.006 0.000 0.822 210 L CB 0.525 42.588 42.059 0.007 0.000 1.186 210 L HN 0.819 nan 8.230 nan 0.000 0.436 211 A N 2.954 125.744 122.820 -0.050 0.000 2.520 211 A HA 0.948 5.268 4.320 -0.000 0.000 0.298 211 A C -0.229 177.264 177.584 -0.151 0.000 1.051 211 A CA 0.151 52.117 52.037 -0.118 0.000 0.690 211 A CB 1.954 20.837 19.000 -0.196 0.000 1.281 211 A HN 0.792 nan 8.150 nan 0.000 0.402 212 G N -0.135 108.517 108.800 -0.246 0.000 2.344 212 G HA2 0.516 4.476 3.960 -0.000 0.000 0.282 212 G HA3 0.516 4.476 3.960 -0.000 0.000 0.282 212 G C -1.580 173.038 174.900 -0.471 0.000 1.281 212 G CA -0.595 44.321 45.100 -0.306 0.000 0.877 212 G HN 0.811 nan 8.290 nan 0.000 0.494 213 F N -0.362 119.608 119.950 0.033 0.000 2.575 213 F HA 0.868 5.395 4.527 0.000 0.000 0.330 213 F C 0.452 176.218 175.800 -0.057 0.000 1.056 213 F CA -0.856 57.162 58.000 0.031 0.000 0.964 213 F CB 2.275 41.294 39.000 0.031 0.000 1.258 213 F HN 0.298 nan 8.300 nan 0.000 0.484 214 I N 0.959 121.577 120.570 0.079 0.000 2.571 214 I HA 0.349 4.519 4.170 -0.000 0.000 0.289 214 I C -1.250 174.555 176.117 -0.519 0.000 1.115 214 I CA -0.419 60.699 61.300 -0.304 0.000 1.045 214 I CB 2.415 40.137 38.000 -0.463 0.000 1.238 214 I HN 0.485 nan 8.210 nan 0.000 0.424 215 T N 4.443 118.658 114.554 -0.565 0.000 2.824 215 T HA 0.468 4.818 4.350 -0.000 0.000 0.282 215 T C -0.943 173.463 174.700 -0.491 0.000 0.993 215 T CA -0.550 61.320 62.100 -0.384 0.000 0.967 215 T CB 1.348 70.136 68.868 -0.134 0.000 0.960 215 T HN 0.332 nan 8.240 nan 0.000 0.441 216 W N 1.122 122.460 121.300 0.064 0.000 2.639 216 W HA 0.652 5.312 4.660 -0.000 0.000 0.347 216 W C -0.177 176.360 176.519 0.030 0.000 1.067 216 W CA -1.314 56.057 57.345 0.044 0.000 1.218 216 W CB 1.720 31.205 29.460 0.041 0.000 1.393 216 W HN 0.666 nan 8.180 nan 0.000 0.557 217 A N 4.061 127.021 122.820 0.233 0.000 3.105 217 A HA 0.396 4.716 4.320 -0.000 0.000 0.336 217 A C -2.164 175.491 177.584 0.119 0.000 1.042 217 A CA -1.066 51.051 52.037 0.134 0.000 0.851 217 A CB -0.315 18.732 19.000 0.079 0.000 1.068 217 A HN 0.229 nan 8.150 nan 0.000 0.477 218 P HA 0.303 nan 4.420 nan 0.000 0.277 218 P C 0.338 177.653 177.300 0.025 0.000 1.240 218 P CA 0.036 63.174 63.100 0.064 0.000 0.798 218 P CB 1.420 33.143 31.700 0.037 0.000 0.979 219 S N 0.599 116.306 115.700 0.012 0.000 2.608 219 S HA 0.070 4.540 4.470 -0.000 0.000 0.261 219 S C 1.475 176.064 174.600 -0.019 0.000 1.314 219 S CA -0.575 57.625 58.200 -0.001 0.000 0.992 219 S CB 0.018 63.218 63.200 -0.000 0.000 0.935 219 S HN 0.217 nan 8.310 nan 0.000 0.564 220 V N 1.917 121.816 119.914 -0.025 0.000 2.469 220 V HA -0.177 3.943 4.120 -0.000 0.000 0.251 220 V C 2.833 178.902 176.094 -0.042 0.000 1.064 220 V CA 2.252 64.528 62.300 -0.041 0.000 1.066 220 V CB -1.626 30.175 31.823 -0.037 0.000 0.667 220 V HN 1.039 nan 8.190 nan 0.000 0.461 221 S N -0.283 115.399 115.700 -0.030 0.000 2.446 221 S HA -0.093 4.377 4.470 -0.000 0.000 0.225 221 S C 1.699 176.279 174.600 -0.033 0.000 1.016 221 S CA 0.889 59.071 58.200 -0.030 0.000 0.943 221 S CB -0.270 62.918 63.200 -0.021 0.000 0.786 221 S HN 0.701 nan 8.310 nan 0.000 0.508 222 E N 0.888 121.070 120.200 -0.030 0.000 2.285 222 E HA 0.062 4.412 4.350 -0.000 0.000 0.194 222 E C 1.783 178.351 176.600 -0.053 0.000 0.997 222 E CA 0.417 56.796 56.400 -0.035 0.000 0.845 222 E CB -0.262 29.426 29.700 -0.020 0.000 0.782 222 E HN 0.360 nan 8.360 nan 0.000 0.491 223 L N 1.669 122.858 121.223 -0.056 0.000 1.951 223 L HA -0.281 4.059 4.340 -0.000 0.000 0.222 223 L C 2.273 179.093 176.870 -0.083 0.000 1.078 223 L CA 2.451 57.247 54.840 -0.073 0.000 0.778 223 L CB -1.043 40.963 42.059 -0.087 0.000 0.893 223 L HN 0.086 nan 8.230 nan 0.000 0.436 224 A N -0.529 122.245 122.820 -0.076 0.000 1.881 224 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 224 A C 2.368 179.912 177.584 -0.066 0.000 1.215 224 A CA 2.540 54.535 52.037 -0.070 0.000 0.648 224 A CB -1.852 17.113 19.000 -0.059 0.000 0.832 224 A HN 0.651 nan 8.150 nan 0.000 0.455 225 G N -0.605 108.156 108.800 -0.064 0.000 2.446 225 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 225 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 225 G C 1.515 176.355 174.900 -0.099 0.000 1.168 225 G CA 1.358 46.418 45.100 -0.068 0.000 0.771 225 G HN 0.568 nan 8.290 nan 0.000 0.551 226 L N 0.037 121.180 121.223 -0.132 0.000 1.961 226 L HA 0.016 4.356 4.340 -0.000 0.000 0.210 226 L C 2.613 179.342 176.870 -0.235 0.000 1.072 226 L CA 1.667 56.372 54.840 -0.226 0.000 0.749 226 L CB -0.846 41.050 42.059 -0.272 0.000 0.889 226 L HN 0.169 nan 8.230 nan 0.000 0.432 227 L N -0.390 120.731 121.223 -0.169 0.000 2.030 227 L HA -0.331 4.009 4.340 -0.000 0.000 0.222 227 L C 2.491 179.314 176.870 -0.078 0.000 1.082 227 L CA 2.733 57.508 54.840 -0.109 0.000 0.785 227 L CB -1.328 40.703 42.059 -0.046 0.000 0.895 227 L HN 0.486 nan 8.230 nan 0.000 0.439 228 T N -1.112 113.408 114.554 -0.056 0.000 2.635 228 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 228 T C 1.946 176.607 174.700 -0.066 0.000 1.040 228 T CA 1.848 63.927 62.100 -0.035 0.000 1.156 228 T CB -0.524 68.325 68.868 -0.031 0.000 0.863 228 T HN 0.451 nan 8.240 nan 0.000 0.430 229 S N 1.572 117.213 115.700 -0.099 0.000 2.369 229 S HA -0.143 4.327 4.470 -0.000 0.000 0.225 229 S C 1.941 176.472 174.600 -0.114 0.000 1.043 229 S CA 1.248 59.383 58.200 -0.107 0.000 1.074 229 S CB -0.797 62.316 63.200 -0.144 0.000 0.962 229 S HN 0.265 nan 8.310 nan 0.000 0.433 230 L N 2.024 123.142 121.223 -0.175 0.000 1.971 230 L HA -0.126 4.214 4.340 -0.000 0.000 0.215 230 L C 2.153 178.974 176.870 -0.081 0.000 1.072 230 L CA 1.736 56.480 54.840 -0.160 0.000 0.758 230 L CB -0.912 41.002 42.059 -0.242 0.000 0.889 230 L HN 0.321 nan 8.230 nan 0.000 0.433 231 L N -0.825 120.357 121.223 -0.068 0.000 2.013 231 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 231 L C 2.382 179.213 176.870 -0.064 0.000 1.073 231 L CA 1.687 56.491 54.840 -0.060 0.000 0.753 231 L CB -1.100 40.933 42.059 -0.042 0.000 0.890 231 L HN 0.352 nan 8.230 nan 0.000 0.432 232 D N 0.265 120.631 120.400 -0.056 0.000 2.104 232 D HA -0.192 4.448 4.640 -0.000 0.000 0.194 232 D C 2.202 178.474 176.300 -0.047 0.000 0.994 232 D CA 1.669 55.639 54.000 -0.051 0.000 0.830 232 D CB -0.123 40.651 40.800 -0.044 0.000 0.959 232 D HN 0.345 nan 8.370 nan 0.000 0.452 233 A N 1.060 123.855 122.820 -0.042 0.000 1.851 233 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 233 A C 2.495 180.063 177.584 -0.026 0.000 1.195 233 A CA 1.291 53.314 52.037 -0.024 0.000 0.622 233 A CB -1.048 17.946 19.000 -0.010 0.000 0.831 233 A HN 0.226 nan 8.150 nan 0.000 0.444 234 L N -0.345 120.858 121.223 -0.032 0.000 2.081 234 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 234 L C 2.368 179.194 176.870 -0.073 0.000 1.080 234 L CA 1.792 56.604 54.840 -0.046 0.000 0.754 234 L CB -0.784 41.242 42.059 -0.056 0.000 0.893 234 L HN 0.530 nan 8.230 nan 0.000 0.433 235 N N -0.526 118.129 118.700 -0.076 0.000 2.104 235 N HA -0.194 4.546 4.740 -0.000 0.000 0.190 235 N C 1.583 177.046 175.510 -0.079 0.000 1.024 235 N CA 1.053 54.053 53.050 -0.083 0.000 0.853 235 N CB 0.015 38.456 38.487 -0.077 0.000 1.008 235 N HN 0.348 nan 8.380 nan 0.000 0.424 236 E N 0.494 120.655 120.200 -0.066 0.000 2.338 236 E HA -0.113 4.237 4.350 -0.000 0.000 0.197 236 E C 1.102 177.643 176.600 -0.098 0.000 1.007 236 E CA 0.866 57.226 56.400 -0.067 0.000 0.849 236 E CB -0.081 29.594 29.700 -0.043 0.000 0.774 236 E HN 0.597 nan 8.360 nan 0.000 0.506 237 M N -0.388 119.150 119.600 -0.102 0.000 2.419 237 M HA 0.294 4.774 4.480 -0.000 0.000 0.252 237 M C 1.840 178.025 176.300 -0.192 0.000 1.143 237 M CA -0.095 55.113 55.300 -0.153 0.000 0.985 237 M CB 0.455 33.008 32.600 -0.079 0.000 1.489 237 M HN -0.061 nan 8.290 nan 0.000 0.484 238 A N 1.230 123.960 122.820 -0.150 0.000 1.927 238 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 238 A C 1.786 179.307 177.584 -0.106 0.000 1.185 238 A CA 2.038 54.006 52.037 -0.114 0.000 0.639 238 A CB -0.527 18.425 19.000 -0.079 0.000 0.820 238 A HN 0.441 nan 8.150 nan 0.000 0.451 239 D N -1.398 118.901 120.400 -0.168 0.000 2.309 239 D HA -0.098 4.542 4.640 -0.000 0.000 0.212 239 D C 0.870 177.233 176.300 0.104 0.000 0.968 239 D CA 1.290 55.237 54.000 -0.088 0.000 0.882 239 D CB -0.240 40.478 40.800 -0.138 0.000 0.918 239 D HN 0.845 nan 8.370 nan 0.000 0.503 240 H N -1.530 117.459 119.070 -0.135 0.000 3.233 240 H HA 0.354 4.910 4.556 0.000 0.000 0.263 240 H C 0.153 175.298 175.328 -0.306 0.000 1.168 240 H CA -0.199 55.716 56.048 -0.223 0.000 1.159 240 H CB 1.487 31.080 29.762 -0.281 0.000 1.593 240 H HN -0.044 nan 8.280 nan 0.000 0.580 241 I N 0.307 120.815 120.570 -0.104 0.000 2.680 241 I HA 0.098 4.268 4.170 -0.000 0.000 0.291 241 I C -1.658 174.462 176.117 0.005 0.000 1.244 241 I CA -1.078 60.188 61.300 -0.056 0.000 1.042 241 I CB 2.377 40.308 38.000 -0.115 0.000 1.277 241 I HN 0.022 nan 8.210 nan 0.000 0.423 242 Y N 8.276 128.565 120.300 -0.019 0.000 2.700 242 Y HA 0.411 4.961 4.550 -0.000 0.000 0.333 242 Y C -2.198 173.670 175.900 -0.053 0.000 1.036 242 Y CA -2.041 56.023 58.100 -0.060 0.000 1.287 242 Y CB 0.922 39.313 38.460 -0.115 0.000 1.132 242 Y HN 0.322 nan 8.280 nan 0.000 0.510 243 P HA 0.114 nan 4.420 nan 0.000 0.272 243 P C -0.964 176.263 177.300 -0.122 0.000 1.230 243 P CA -0.150 62.899 63.100 -0.085 0.000 0.788 243 P CB 1.425 33.059 31.700 -0.110 0.000 0.949 244 S N 0.584 116.230 115.700 -0.090 0.000 2.746 244 S HA 0.301 4.771 4.470 -0.000 0.000 0.273 244 S C -0.398 173.955 174.600 -0.411 0.000 1.172 244 S CA -0.559 57.478 58.200 -0.272 0.000 1.116 244 S CB 0.632 63.722 63.200 -0.184 0.000 1.057 244 S HN 0.194 nan 8.310 nan 0.000 0.483 245 V N 4.294 123.974 119.914 -0.390 0.000 2.370 245 V HA 0.513 4.633 4.120 -0.000 0.000 0.279 245 V C -0.892 175.004 176.094 -0.330 0.000 1.029 245 V CA -0.497 61.676 62.300 -0.212 0.000 0.870 245 V CB 0.446 32.251 31.823 -0.029 0.000 0.984 245 V HN 0.730 nan 8.190 nan 0.000 0.451 246 F N 3.871 123.929 119.950 0.179 0.000 2.388 246 F HA 0.557 5.084 4.527 -0.000 0.000 0.358 246 F C 0.097 176.001 175.800 0.174 0.000 1.122 246 F CA -0.798 57.301 58.000 0.164 0.000 1.056 246 F CB 1.600 40.683 39.000 0.139 0.000 1.155 246 F HN 0.161 nan 8.300 nan 0.000 0.461 247 V N 3.345 123.460 119.914 0.334 0.000 2.357 247 V HA 0.866 4.986 4.120 -0.000 0.000 0.284 247 V C 0.249 176.539 176.094 0.326 0.000 1.018 247 V CA -0.355 62.097 62.300 0.254 0.000 0.841 247 V CB 0.967 32.906 31.823 0.194 0.000 0.991 247 V HN 0.943 nan 8.190 nan 0.000 0.437 248 G N 3.182 112.091 108.800 0.182 0.000 2.788 248 G HA2 0.765 4.725 3.960 -0.000 0.000 0.293 248 G HA3 0.765 4.725 3.960 -0.000 0.000 0.293 248 G C -1.237 173.690 174.900 0.045 0.000 1.392 248 G CA -0.347 44.894 45.100 0.235 0.000 0.810 248 G HN 1.003 nan 8.290 nan 0.000 0.508 249 V N -0.549 119.433 119.914 0.113 0.000 2.531 249 V HA 0.648 4.768 4.120 -0.000 0.000 0.301 249 V C -0.275 175.871 176.094 0.087 0.000 1.034 249 V CA -0.835 61.497 62.300 0.052 0.000 0.865 249 V CB 0.937 32.787 31.823 0.045 0.000 0.995 249 V HN 0.958 nan 8.190 nan 0.000 0.424 250 D N 2.144 122.580 120.400 0.059 0.000 2.314 250 D HA 0.039 4.679 4.640 -0.000 0.000 0.252 250 D C 1.039 177.375 176.300 0.060 0.000 1.295 250 D CA 0.258 54.292 54.000 0.057 0.000 0.995 250 D CB 0.601 41.425 40.800 0.039 0.000 1.125 250 D HN 0.746 nan 8.370 nan 0.000 0.537 251 E N -1.289 118.942 120.200 0.052 0.000 2.333 251 E HA -0.178 4.172 4.350 -0.000 0.000 0.198 251 E C 0.405 177.032 176.600 0.045 0.000 1.007 251 E CA 0.696 57.127 56.400 0.053 0.000 0.845 251 E CB -0.062 29.664 29.700 0.044 0.000 0.766 251 E HN 0.315 nan 8.360 nan 0.000 0.507 252 N N 0.760 119.482 118.700 0.037 0.000 2.295 252 N HA 0.047 4.787 4.740 -0.000 0.000 0.221 252 N C -0.303 175.224 175.510 0.029 0.000 1.129 252 N CA 0.044 53.112 53.050 0.030 0.000 0.836 252 N CB 0.711 39.212 38.487 0.024 0.000 1.040 252 N HN 0.041 nan 8.380 nan 0.000 0.494 253 R N -0.963 119.559 120.500 0.037 0.000 4.000 253 R HA -0.176 4.164 4.340 -0.000 0.000 0.362 253 R C -0.118 176.191 176.300 0.015 0.000 1.183 253 R CA 0.649 56.769 56.100 0.033 0.000 1.011 253 R CB -2.596 27.721 30.300 0.027 0.000 1.501 253 R HN 0.339 nan 8.270 nan 0.000 0.553 254 A N 1.651 124.481 122.820 0.017 0.000 2.362 254 A HA 0.543 4.863 4.320 -0.000 0.000 0.276 254 A C -2.019 175.565 177.584 0.001 0.000 1.153 254 A CA -1.195 50.848 52.037 0.010 0.000 0.813 254 A CB 0.435 19.446 19.000 0.018 0.000 1.081 254 A HN -0.145 nan 8.150 nan 0.000 0.507 255 P HA 0.133 nan 4.420 nan 0.000 0.267 255 P C -0.405 176.904 177.300 0.014 0.000 1.209 255 P CA 0.454 63.529 63.100 -0.041 0.000 0.763 255 P CB 0.803 32.468 31.700 -0.057 0.000 0.816 256 S N 2.057 117.774 115.700 0.028 0.000 2.594 256 S HA 0.619 5.089 4.470 -0.000 0.000 0.296 256 S C -0.822 173.864 174.600 0.143 0.000 1.124 256 S CA -0.760 57.495 58.200 0.091 0.000 1.011 256 S CB 0.870 64.118 63.200 0.080 0.000 1.016 256 S HN 0.083 nan 8.310 nan 0.000 0.485 257 V N 3.142 123.196 119.914 0.234 0.000 2.487 257 V HA 0.686 4.806 4.120 -0.000 0.000 0.298 257 V C -0.386 175.991 176.094 0.471 0.000 1.028 257 V CA -0.264 62.236 62.300 0.333 0.000 0.860 257 V CB 1.933 33.945 31.823 0.315 0.000 0.991 257 V HN 1.065 nan 8.190 nan 0.000 0.427 258 T N 4.004 118.824 114.554 0.443 0.000 2.881 258 T HA 0.533 4.883 4.350 -0.000 0.000 0.290 258 T C -0.942 174.080 174.700 0.536 0.000 1.000 258 T CA -0.362 61.997 62.100 0.433 0.000 0.978 258 T CB 1.947 71.009 68.868 0.323 0.000 0.997 258 T HN 0.468 nan 8.240 nan 0.000 0.443 259 V N 2.606 122.822 119.914 0.502 0.000 2.581 259 V HA 0.737 4.857 4.120 -0.000 0.000 0.303 259 V C -0.597 175.752 176.094 0.425 0.000 1.041 259 V CA -0.612 61.940 62.300 0.419 0.000 0.907 259 V CB 1.372 33.444 31.823 0.415 0.000 0.994 259 V HN 1.115 nan 8.190 nan 0.000 0.442 260 C N 7.637 127.155 119.300 0.363 0.000 2.345 260 C HA 0.877 5.337 4.460 -0.000 0.000 0.323 260 C C -0.497 174.559 174.990 0.111 0.000 1.276 260 C CA 0.065 59.202 59.018 0.197 0.000 1.543 260 C CB 0.005 28.026 27.740 0.468 0.000 2.211 260 C HN 1.163 nan 8.230 nan 0.000 0.493 261 V N 3.493 123.412 119.914 0.007 0.000 3.007 261 V HA 1.015 5.135 4.120 -0.000 0.000 0.311 261 V C -0.161 175.960 176.094 0.046 0.000 1.120 261 V CA -0.116 62.244 62.300 0.099 0.000 0.980 261 V CB 1.753 33.633 31.823 0.096 0.000 1.033 261 V HN 1.237 nan 8.190 nan 0.000 0.429 262 G N 0.942 109.816 108.800 0.123 0.000 3.003 262 G HA2 0.378 4.338 3.960 -0.000 0.000 0.293 262 G HA3 0.378 4.338 3.960 -0.000 0.000 0.293 262 G C -0.869 174.086 174.900 0.093 0.000 1.553 262 G CA -0.416 44.674 45.100 -0.017 0.000 1.078 262 G HN 0.999 nan 8.290 nan 0.000 0.550 263 H N 3.386 122.476 119.070 0.032 0.000 2.819 263 H HA 0.178 4.734 4.556 -0.000 0.000 0.303 263 H C 0.917 176.263 175.328 0.029 0.000 1.058 263 H CA -0.024 56.059 56.048 0.059 0.000 1.471 263 H CB 1.377 31.168 29.762 0.049 0.000 1.480 263 H HN 0.357 nan 8.280 nan 0.000 0.517 264 L N 3.912 125.203 121.223 0.115 0.000 2.446 264 L HA 0.140 4.480 4.340 -0.000 0.000 0.219 264 L C 1.687 178.562 176.870 0.008 0.000 1.116 264 L CA 0.331 55.203 54.840 0.053 0.000 0.844 264 L CB -0.101 41.938 42.059 -0.034 0.000 0.970 264 L HN 0.544 nan 8.230 nan 0.000 0.457 265 G N -0.078 108.799 108.800 0.127 0.000 2.684 265 G HA2 0.313 4.273 3.960 -0.000 0.000 0.255 265 G HA3 0.313 4.273 3.960 -0.000 0.000 0.255 265 G C 0.267 175.106 174.900 -0.102 0.000 1.219 265 G CA -0.007 44.964 45.100 -0.215 0.000 0.901 265 G HN 0.193 nan 8.290 nan 0.000 0.548 266 G N -1.118 107.602 108.800 -0.133 0.000 2.380 266 G HA2 0.251 4.211 3.960 -0.000 0.000 0.242 266 G HA3 0.251 4.211 3.960 -0.000 0.000 0.242 266 G C 1.139 175.983 174.900 -0.092 0.000 1.298 266 G CA -0.609 44.443 45.100 -0.081 0.000 0.878 266 G HN 0.552 nan 8.290 nan 0.000 0.542 267 L N 1.511 122.686 121.223 -0.080 0.000 2.551 267 L HA -0.103 4.237 4.340 -0.000 0.000 0.230 267 L C 2.262 179.079 176.870 -0.088 0.000 1.163 267 L CA 1.285 56.068 54.840 -0.095 0.000 0.826 267 L CB -0.339 41.684 42.059 -0.060 0.000 0.943 267 L HN 0.746 nan 8.230 nan 0.000 0.452 268 D N 0.219 120.581 120.400 -0.063 0.000 2.183 268 D HA -0.126 4.514 4.640 -0.000 0.000 0.205 268 D C 2.044 178.316 176.300 -0.047 0.000 0.962 268 D CA 0.795 54.769 54.000 -0.043 0.000 0.849 268 D CB -0.117 40.670 40.800 -0.022 0.000 0.978 268 D HN 0.382 nan 8.370 nan 0.000 0.488 269 I N 1.137 121.679 120.570 -0.047 0.000 2.480 269 I HA -0.062 4.108 4.170 -0.000 0.000 0.251 269 I C 2.713 178.745 176.117 -0.143 0.000 1.124 269 I CA 0.700 61.993 61.300 -0.012 0.000 1.444 269 I CB -0.167 37.903 38.000 0.117 0.000 1.098 269 I HN -0.017 nan 8.210 nan 0.000 0.428 270 A N 0.550 123.156 122.820 -0.357 0.000 1.902 270 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 270 A C 2.208 179.602 177.584 -0.317 0.000 1.181 270 A CA 1.402 52.983 52.037 -0.761 0.000 0.623 270 A CB -0.363 18.257 19.000 -0.634 0.000 0.818 270 A HN 0.274 nan 8.150 nan 0.000 0.443 271 E N -0.380 119.721 120.200 -0.166 0.000 2.150 271 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 271 E C 2.129 178.703 176.600 -0.043 0.000 0.985 271 E CA 0.945 57.297 56.400 -0.080 0.000 0.814 271 E CB -0.309 29.359 29.700 -0.053 0.000 0.752 271 E HN 0.702 nan 8.360 nan 0.000 0.466 272 R N 1.049 121.525 120.500 -0.040 0.000 2.064 272 R HA -0.154 4.186 4.340 -0.000 0.000 0.228 272 R C 1.599 177.911 176.300 0.021 0.000 1.144 272 R CA 1.985 58.084 56.100 -0.002 0.000 0.932 272 R CB -0.189 30.115 30.300 0.007 0.000 0.833 272 R HN -0.050 nan 8.270 nan 0.000 0.429 273 D N 0.827 121.248 120.400 0.034 0.000 2.154 273 D HA -0.220 4.420 4.640 -0.000 0.000 0.190 273 D C 1.874 178.234 176.300 0.100 0.000 1.003 273 D CA 1.670 55.729 54.000 0.098 0.000 0.849 273 D CB -0.249 40.686 40.800 0.225 0.000 0.942 273 D HN 0.260 nan 8.370 nan 0.000 0.446 274 I N 0.738 121.354 120.570 0.076 0.000 2.335 274 I HA -0.208 3.962 4.170 -0.000 0.000 0.251 274 I C 2.370 178.533 176.117 0.077 0.000 1.129 274 I CA 0.828 62.178 61.300 0.083 0.000 1.402 274 I CB -1.376 36.651 38.000 0.044 0.000 1.069 274 I HN -0.063 nan 8.210 nan 0.000 0.424 275 A N 0.831 123.683 122.820 0.054 0.000 1.877 275 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 275 A C 2.572 180.200 177.584 0.072 0.000 1.186 275 A CA 1.737 53.806 52.037 0.052 0.000 0.620 275 A CB -0.647 18.373 19.000 0.033 0.000 0.822 275 A HN 0.329 nan 8.150 nan 0.000 0.443 276 R N -0.277 120.266 120.500 0.072 0.000 2.080 276 R HA -0.100 4.240 4.340 -0.000 0.000 0.236 276 R C 2.073 178.440 176.300 0.112 0.000 1.137 276 R CA 1.745 57.889 56.100 0.074 0.000 0.943 276 R CB -0.501 29.835 30.300 0.059 0.000 0.846 276 R HN 0.526 nan 8.270 nan 0.000 0.431 277 L N 0.131 121.442 121.223 0.146 0.000 2.081 277 L HA -0.235 4.104 4.340 -0.000 0.000 0.212 277 L C 2.708 179.784 176.870 0.344 0.000 1.080 277 L CA 1.651 56.637 54.840 0.243 0.000 0.754 277 L CB -0.470 41.747 42.059 0.263 0.000 0.893 277 L HN 0.278 nan 8.230 nan 0.000 0.433 278 R N -0.216 120.420 120.500 0.227 0.000 2.092 278 R HA -0.057 4.283 4.340 -0.000 0.000 0.231 278 R C 2.064 178.492 176.300 0.213 0.000 1.119 278 R CA 1.125 57.348 56.100 0.205 0.000 0.970 278 R CB -0.471 29.894 30.300 0.109 0.000 0.864 278 R HN 0.374 nan 8.270 nan 0.000 0.440 279 G N 0.108 109.000 108.800 0.153 0.000 3.124 279 G HA2 0.003 3.963 3.960 -0.000 0.000 0.212 279 G HA3 0.003 3.963 3.960 -0.000 0.000 0.212 279 G C 1.103 176.067 174.900 0.106 0.000 1.181 279 G CA -0.177 44.994 45.100 0.117 0.000 0.803 279 G HN 0.118 nan 8.290 nan 0.000 0.529 280 L N -0.434 120.872 121.223 0.138 0.000 2.240 280 L HA 0.289 4.629 4.340 -0.000 0.000 0.211 280 L C 1.429 178.291 176.870 -0.013 0.000 1.106 280 L CA 0.819 55.668 54.840 0.015 0.000 0.793 280 L CB -0.095 41.895 42.059 -0.114 0.000 0.927 280 L HN 0.337 nan 8.230 nan 0.000 0.446 281 G N -1.018 107.870 108.800 0.145 0.000 2.349 281 G HA2 0.288 4.248 3.960 -0.000 0.000 0.294 281 G HA3 0.288 4.248 3.960 -0.000 0.000 0.294 281 G C -1.677 173.426 174.900 0.338 0.000 1.380 281 G CA -0.882 44.307 45.100 0.148 0.000 0.811 281 G HN -0.171 nan 8.290 nan 0.000 0.519 282 R N 1.101 121.764 120.500 0.272 0.000 2.345 282 R HA 0.462 4.802 4.340 -0.000 0.000 0.331 282 R C 0.919 177.382 176.300 0.272 0.000 1.067 282 R CA 0.398 56.633 56.100 0.225 0.000 0.962 282 R CB -0.668 29.714 30.300 0.136 0.000 0.987 282 R HN 0.817 nan 8.270 nan 0.000 0.451 283 T N 0.049 114.672 114.554 0.115 0.000 2.909 283 T HA 0.313 4.663 4.350 -0.000 0.000 0.289 283 T C 0.929 175.562 174.700 -0.111 0.000 1.005 283 T CA -0.875 61.123 62.100 -0.170 0.000 1.084 283 T CB 1.564 70.248 68.868 -0.308 0.000 0.975 283 T HN 0.196 nan 8.240 nan 0.000 0.509 284 V N 1.753 121.572 119.914 -0.158 0.000 2.521 284 V HA 0.193 4.313 4.120 -0.000 0.000 0.239 284 V C 1.174 177.209 176.094 -0.097 0.000 1.053 284 V CA 0.582 62.831 62.300 -0.085 0.000 1.073 284 V CB 0.115 31.905 31.823 -0.055 0.000 0.746 284 V HN 0.962 nan 8.190 nan 0.000 0.476 285 S N 0.129 115.742 115.700 -0.145 0.000 2.568 285 S HA 0.617 5.087 4.470 -0.000 0.000 0.302 285 S C -1.011 173.509 174.600 -0.133 0.000 1.082 285 S CA -0.425 57.711 58.200 -0.107 0.000 1.009 285 S CB 2.102 65.254 63.200 -0.079 0.000 1.069 285 S HN 0.488 nan 8.310 nan 0.000 0.500 286 D N 0.935 121.296 120.400 -0.064 0.000 2.354 286 D HA 0.141 4.781 4.640 -0.000 0.000 0.230 286 D C -0.302 175.999 176.300 0.003 0.000 1.361 286 D CA -0.287 53.685 54.000 -0.047 0.000 0.992 286 D CB 0.915 41.680 40.800 -0.058 0.000 1.409 286 D HN 0.474 nan 8.370 nan 0.000 0.573 287 S N 2.840 118.569 115.700 0.047 0.000 2.575 287 S HA 0.208 4.678 4.470 -0.000 0.000 0.237 287 S C 1.065 175.681 174.600 0.027 0.000 0.975 287 S CA -0.497 57.739 58.200 0.059 0.000 0.960 287 S CB -0.063 63.216 63.200 0.131 0.000 0.822 287 S HN 0.382 nan 8.310 nan 0.000 0.472 288 I N 3.209 123.783 120.570 0.006 0.000 2.880 288 I HA 0.401 4.571 4.170 -0.000 0.000 0.296 288 I C 0.760 176.869 176.117 -0.012 0.000 1.220 288 I CA 0.302 61.594 61.300 -0.014 0.000 1.435 288 I CB -0.579 37.421 38.000 -0.001 0.000 1.339 288 I HN 0.533 nan 8.210 nan 0.000 0.583 289 A N 5.823 128.628 122.820 -0.024 0.000 2.586 289 A HA 0.578 4.898 4.320 -0.000 0.000 0.291 289 A C -1.119 176.448 177.584 -0.028 0.000 1.062 289 A CA -0.635 51.390 52.037 -0.020 0.000 0.666 289 A CB 0.735 19.725 19.000 -0.016 0.000 1.281 289 A HN 0.266 nan 8.150 nan 0.000 0.421 290 V N 1.221 121.122 119.914 -0.022 0.000 2.614 290 V HA 0.625 4.745 4.120 -0.000 0.000 0.291 290 V C 0.459 176.537 176.094 -0.027 0.000 1.049 290 V CA 0.264 62.550 62.300 -0.023 0.000 1.038 290 V CB 0.600 32.413 31.823 -0.017 0.000 0.980 290 V HN 0.946 nan 8.190 nan 0.000 0.481 291 R N 2.145 122.625 120.500 -0.033 0.000 2.747 291 R HA 0.575 4.915 4.340 -0.000 0.000 0.272 291 R C -0.998 175.285 176.300 -0.028 0.000 1.032 291 R CA -0.724 55.353 56.100 -0.039 0.000 0.896 291 R CB 1.738 31.997 30.300 -0.068 0.000 1.253 291 R HN 0.730 nan 8.270 nan 0.000 0.461 292 S N -0.354 115.332 115.700 -0.023 0.000 2.565 292 S HA 0.156 4.626 4.470 -0.000 0.000 0.290 292 S C 0.667 175.270 174.600 0.005 0.000 1.150 292 S CA -0.738 57.469 58.200 0.012 0.000 1.058 292 S CB 1.014 64.227 63.200 0.023 0.000 1.032 292 S HN 0.720 nan 8.310 nan 0.000 0.510 293 Y N 2.846 123.106 120.300 -0.066 0.000 2.062 293 Y HA -0.346 4.204 4.550 0.000 0.000 0.273 293 Y C 2.163 178.014 175.900 -0.083 0.000 1.206 293 Y CA 2.858 60.905 58.100 -0.089 0.000 1.125 293 Y CB -0.701 37.740 38.460 -0.031 0.000 0.951 293 Y HN 0.905 nan 8.280 nan 0.000 0.501 294 D N -0.663 119.677 120.400 -0.100 0.000 2.182 294 D HA -0.225 4.415 4.640 -0.000 0.000 0.201 294 D C 1.607 177.799 176.300 -0.180 0.000 0.986 294 D CA 1.803 55.706 54.000 -0.162 0.000 0.847 294 D CB -0.607 40.183 40.800 -0.017 0.000 0.942 294 D HN 0.633 nan 8.370 nan 0.000 0.467 295 E N 0.469 120.584 120.200 -0.142 0.000 2.047 295 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 295 E C 2.556 179.054 176.600 -0.171 0.000 0.987 295 E CA 0.966 57.295 56.400 -0.118 0.000 0.799 295 E CB 0.077 29.727 29.700 -0.083 0.000 0.752 295 E HN 0.171 nan 8.360 nan 0.000 0.449 296 V N 1.164 120.914 119.914 -0.272 0.000 2.255 296 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 296 V C 2.361 178.257 176.094 -0.330 0.000 1.051 296 V CA 1.425 63.501 62.300 -0.373 0.000 1.018 296 V CB -0.569 30.873 31.823 -0.634 0.000 0.641 296 V HN 0.125 nan 8.190 nan 0.000 0.445 297 V N 0.261 119.926 119.914 -0.414 0.000 2.982 297 V HA -0.188 3.932 4.120 -0.000 0.000 0.265 297 V C 2.367 178.387 176.094 -0.124 0.000 1.122 297 V CA 1.720 63.893 62.300 -0.212 0.000 1.143 297 V CB -0.922 30.688 31.823 -0.357 0.000 0.726 297 V HN 0.574 nan 8.190 nan 0.000 0.507 298 A N -0.663 122.079 122.820 -0.130 0.000 2.115 298 A HA 0.128 4.448 4.320 -0.000 0.000 0.211 298 A C 1.787 179.345 177.584 -0.043 0.000 1.169 298 A CA 0.299 52.289 52.037 -0.079 0.000 0.787 298 A CB -0.189 18.775 19.000 -0.060 0.000 0.858 298 A HN 0.433 nan 8.150 nan 0.000 0.474 299 L N 0.079 121.281 121.223 -0.034 0.000 2.633 299 L HA 0.090 4.430 4.340 -0.000 0.000 0.235 299 L C 0.858 177.791 176.870 0.106 0.000 1.163 299 L CA 1.360 56.225 54.840 0.042 0.000 0.859 299 L CB -0.882 41.189 42.059 0.020 0.000 0.973 299 L HN 0.330 nan 8.230 nan 0.000 0.451 300 N N -1.505 117.208 118.700 0.021 0.000 2.348 300 N HA 0.200 4.940 4.740 -0.000 0.000 0.183 300 N C 1.740 177.102 175.510 -0.245 0.000 1.094 300 N CA 0.733 53.777 53.050 -0.009 0.000 0.885 300 N CB 0.169 38.669 38.487 0.021 0.000 1.065 300 N HN 0.334 nan 8.380 nan 0.000 0.472 301 A N 0.981 123.604 122.820 -0.328 0.000 1.968 301 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 301 A C 1.803 179.268 177.584 -0.198 0.000 1.169 301 A CA 1.110 52.927 52.037 -0.366 0.000 0.638 301 A CB -0.240 18.665 19.000 -0.159 0.000 0.812 301 A HN 0.284 nan 8.150 nan 0.000 0.446 302 E N 0.191 120.375 120.200 -0.026 0.000 2.006 302 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 302 E C 2.049 178.586 176.600 -0.105 0.000 0.993 302 E CA 1.692 58.157 56.400 0.108 0.000 0.808 302 E CB -0.627 29.162 29.700 0.148 0.000 0.764 302 E HN 0.575 nan 8.360 nan 0.000 0.449 303 V N 0.325 120.192 119.914 -0.079 0.000 2.688 303 V HA -0.053 4.067 4.120 -0.000 0.000 0.256 303 V C 1.249 177.230 176.094 -0.188 0.000 1.084 303 V CA 1.125 63.342 62.300 -0.139 0.000 1.103 303 V CB -1.657 30.084 31.823 -0.138 0.000 0.688 303 V HN 0.167 nan 8.190 nan 0.000 0.480 304 G N 0.579 109.254 108.800 -0.208 0.000 2.353 304 G HA2 0.220 4.180 3.960 -0.000 0.000 0.239 304 G HA3 0.220 4.180 3.960 -0.000 0.000 0.239 304 G C 0.079 174.778 174.900 -0.334 0.000 1.295 304 G CA 0.579 45.605 45.100 -0.122 0.000 0.884 304 G HN 0.533 nan 8.290 nan 0.000 0.537 305 S N 1.340 116.985 115.700 -0.090 0.000 2.466 305 S HA 0.115 4.585 4.470 -0.000 0.000 0.286 305 S C 0.912 175.486 174.600 -0.043 0.000 1.221 305 S CA -0.567 57.597 58.200 -0.061 0.000 1.091 305 S CB -0.297 62.928 63.200 0.042 0.000 0.956 305 S HN 0.388 nan 8.310 nan 0.000 0.501 306 F N 2.528 122.540 119.950 0.103 0.000 2.771 306 F HA 0.177 4.704 4.527 -0.000 0.000 0.299 306 F C 1.376 177.197 175.800 0.034 0.000 1.177 306 F CA 0.024 58.076 58.000 0.087 0.000 1.450 306 F CB -0.180 38.857 39.000 0.061 0.000 1.114 306 F HN 0.504 nan 8.300 nan 0.000 0.587 307 E N 1.530 121.810 120.200 0.133 0.000 2.029 307 E HA 0.084 4.434 4.350 -0.000 0.000 0.276 307 E C -0.662 175.901 176.600 -0.061 0.000 1.163 307 E CA -0.079 56.339 56.400 0.030 0.000 0.909 307 E CB -0.133 29.561 29.700 -0.010 0.000 1.046 307 E HN 0.257 nan 8.360 nan 0.000 0.406 308 D N 2.058 122.419 120.400 -0.065 0.000 2.451 308 D HA 0.492 5.132 4.640 -0.000 0.000 0.259 308 D C 1.021 177.188 176.300 -0.221 0.000 1.201 308 D CA 0.623 54.524 54.000 -0.165 0.000 1.028 308 D CB 0.692 41.434 40.800 -0.097 0.000 1.095 308 D HN 0.559 nan 8.370 nan 0.000 0.539 309 G N -0.498 108.131 108.800 -0.285 0.000 2.189 309 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.267 309 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.267 309 G C 0.215 174.893 174.900 -0.369 0.000 0.975 309 G CA 0.023 44.958 45.100 -0.274 0.000 0.644 309 G HN 0.241 nan 8.290 nan 0.000 0.537 310 M N 1.127 120.448 119.600 -0.464 0.000 2.245 310 M HA 0.387 4.867 4.480 -0.000 0.000 0.344 310 M C 0.688 176.529 176.300 -0.765 0.000 1.170 310 M CA 0.391 55.355 55.300 -0.561 0.000 1.135 310 M CB 0.887 33.181 32.600 -0.510 0.000 1.574 310 M HN 0.106 nan 8.290 nan 0.000 0.452 311 S N 3.259 118.364 115.700 -0.991 0.000 2.525 311 S HA 0.544 5.014 4.470 -0.000 0.000 0.290 311 S C -0.188 173.611 174.600 -1.335 0.000 1.152 311 S CA -0.925 56.523 58.200 -1.254 0.000 1.072 311 S CB 0.989 63.172 63.200 -1.695 0.000 1.027 311 S HN 0.564 nan 8.310 nan 0.000 0.500 312 N N 1.470 119.615 118.700 -0.926 0.000 2.240 312 N HA 0.556 5.296 4.740 -0.000 0.000 0.302 312 N C -1.679 173.617 175.510 -0.356 0.000 1.106 312 N CA -0.662 52.052 53.050 -0.559 0.000 0.778 312 N CB 2.313 40.501 38.487 -0.499 0.000 1.431 312 N HN 0.361 nan 8.380 nan 0.000 0.479 313 L N 1.336 122.568 121.223 0.015 0.000 2.406 313 L HA 0.613 4.953 4.340 -0.000 0.000 0.272 313 L C -1.969 175.092 176.870 0.317 0.000 0.980 313 L CA -0.479 54.455 54.840 0.156 0.000 0.831 313 L CB 1.028 43.314 42.059 0.379 0.000 1.253 313 L HN 0.473 nan 8.230 nan 0.000 0.406 314 W N 6.897 128.286 121.300 0.148 0.000 2.619 314 W HA 0.596 5.256 4.660 -0.000 0.000 0.327 314 W C -0.880 175.710 176.519 0.117 0.000 1.027 314 W CA -1.123 56.299 57.345 0.129 0.000 1.233 314 W CB 1.537 31.068 29.460 0.117 0.000 1.370 314 W HN 0.325 nan 8.180 nan 0.000 0.453 315 I N 2.749 123.522 120.570 0.338 0.000 2.420 315 I HA 0.115 4.285 4.170 -0.000 0.000 0.282 315 I C -0.565 175.697 176.117 0.241 0.000 1.019 315 I CA -0.401 61.069 61.300 0.285 0.000 1.130 315 I CB 1.456 39.602 38.000 0.243 0.000 1.262 315 I HN 0.218 nan 8.210 nan 0.000 0.454 316 D N 6.134 126.693 120.400 0.264 0.000 2.193 316 D HA 0.608 5.248 4.640 -0.000 0.000 0.244 316 D C -0.428 175.969 176.300 0.161 0.000 1.064 316 D CA -0.225 53.878 54.000 0.172 0.000 0.845 316 D CB 1.235 42.105 40.800 0.116 0.000 1.148 316 D HN 0.407 nan 8.370 nan 0.000 0.464 317 R N 1.943 122.471 120.500 0.047 0.000 2.846 317 R HA 0.502 4.842 4.340 -0.000 0.000 0.263 317 R C -0.840 175.429 176.300 -0.053 0.000 1.080 317 R CA -0.952 55.124 56.100 -0.040 0.000 0.961 317 R CB 1.474 31.718 30.300 -0.092 0.000 1.231 317 R HN 0.402 nan 8.270 nan 0.000 0.465 318 E N 0.569 120.715 120.200 -0.091 0.000 2.227 318 E HA 0.366 4.716 4.350 -0.000 0.000 0.268 318 E C -0.565 175.941 176.600 -0.157 0.000 0.907 318 E CA -0.733 55.591 56.400 -0.127 0.000 0.786 318 E CB 2.071 31.695 29.700 -0.126 0.000 1.191 318 E HN 0.304 nan 8.360 nan 0.000 0.411 319 I N 2.121 122.535 120.570 -0.260 0.000 2.821 319 I HA -0.135 4.035 4.170 -0.000 0.000 0.294 319 I C 0.862 176.871 176.117 -0.180 0.000 1.210 319 I CA 0.704 61.799 61.300 -0.342 0.000 1.430 319 I CB 0.519 38.184 38.000 -0.558 0.000 1.356 319 I HN 0.669 nan 8.210 nan 0.000 0.563 320 A N 7.673 130.437 122.820 -0.093 0.000 2.431 320 A HA 0.382 4.702 4.320 -0.000 0.000 0.239 320 A C 0.587 178.152 177.584 -0.031 0.000 1.230 320 A CA 0.075 52.077 52.037 -0.057 0.000 0.928 320 A CB 0.362 19.339 19.000 -0.037 0.000 1.006 320 A HN 0.636 nan 8.150 nan 0.000 0.520 321 M N -0.610 118.985 119.600 -0.009 0.000 2.755 321 M HA 0.432 4.912 4.480 -0.000 0.000 0.298 321 M C -2.864 173.438 176.300 0.004 0.000 1.251 321 M CA -2.173 53.136 55.300 0.016 0.000 0.817 321 M CB 0.560 33.199 32.600 0.065 0.000 1.760 321 M HN -0.231 nan 8.290 nan 0.000 0.473 322 P HA 0.151 nan 4.420 nan 0.000 0.269 322 P C 0.276 177.598 177.300 0.036 0.000 1.209 322 P CA 0.037 63.137 63.100 0.001 0.000 0.776 322 P CB 0.447 32.148 31.700 0.001 0.000 0.876 323 N N 1.848 120.555 118.700 0.011 0.000 2.073 323 N HA -0.273 4.467 4.740 -0.000 0.000 0.199 323 N C 1.699 177.277 175.510 0.114 0.000 1.023 323 N CA 2.223 55.306 53.050 0.054 0.000 0.880 323 N CB -1.108 37.382 38.487 0.004 0.000 1.052 323 N HN 0.465 nan 8.380 nan 0.000 0.449 324 A N 1.035 123.886 122.820 0.052 0.000 1.859 324 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 324 A C 2.320 179.931 177.584 0.045 0.000 1.198 324 A CA 2.172 54.230 52.037 0.034 0.000 0.629 324 A CB -0.681 18.325 19.000 0.009 0.000 0.830 324 A HN 0.242 nan 8.150 nan 0.000 0.446 325 R N -0.897 119.634 120.500 0.052 0.000 2.096 325 R HA -0.179 4.161 4.340 -0.000 0.000 0.240 325 R C 1.836 178.178 176.300 0.070 0.000 1.139 325 R CA 2.240 58.369 56.100 0.048 0.000 0.952 325 R CB -1.162 29.167 30.300 0.048 0.000 0.854 325 R HN 0.543 nan 8.270 nan 0.000 0.436 326 F N 0.537 120.473 119.950 -0.024 0.000 2.095 326 F HA -0.125 4.402 4.527 0.000 0.000 0.298 326 F C 2.002 177.794 175.800 -0.014 0.000 1.104 326 F CA 1.784 59.773 58.000 -0.019 0.000 1.232 326 F CB -0.850 38.135 39.000 -0.026 0.000 0.987 326 F HN 0.138 nan 8.300 nan 0.000 0.475 327 A N 0.149 122.991 122.820 0.036 0.000 1.859 327 A HA -0.305 4.015 4.320 -0.000 0.000 0.217 327 A C 2.229 179.728 177.584 -0.142 0.000 1.198 327 A CA 2.043 54.038 52.037 -0.069 0.000 0.629 327 A CB -1.358 17.651 19.000 0.015 0.000 0.830 327 A HN 0.598 nan 8.150 nan 0.000 0.446 328 E N -0.378 119.773 120.200 -0.081 0.000 2.048 328 E HA -0.231 4.119 4.350 -0.000 0.000 0.202 328 E C 2.207 178.744 176.600 -0.105 0.000 1.021 328 E CA 1.572 57.927 56.400 -0.075 0.000 0.825 328 E CB -0.362 29.313 29.700 -0.042 0.000 0.756 328 E HN 0.535 nan 8.360 nan 0.000 0.454 329 A N 1.312 124.057 122.820 -0.124 0.000 1.903 329 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 329 A C 2.160 179.649 177.584 -0.158 0.000 1.191 329 A CA 1.895 53.853 52.037 -0.131 0.000 0.638 329 A CB -0.781 18.134 19.000 -0.141 0.000 0.823 329 A HN 0.391 nan 8.150 nan 0.000 0.451 330 I N -0.142 120.264 120.570 -0.272 0.000 2.069 330 I HA -0.334 3.836 4.170 -0.000 0.000 0.237 330 I C 3.014 179.063 176.117 -0.114 0.000 1.053 330 I CA 1.802 62.978 61.300 -0.208 0.000 1.311 330 I CB -1.768 36.059 38.000 -0.288 0.000 1.030 330 I HN 0.396 nan 8.210 nan 0.000 0.398 331 A N 0.903 123.640 122.820 -0.138 0.000 1.997 331 A HA -0.185 4.135 4.320 -0.000 0.000 0.221 331 A C 2.310 179.849 177.584 -0.075 0.000 1.172 331 A CA 2.052 54.018 52.037 -0.118 0.000 0.645 331 A CB -1.402 17.539 19.000 -0.099 0.000 0.813 331 A HN 0.550 nan 8.150 nan 0.000 0.454 332 G N -1.760 107.006 108.800 -0.058 0.000 2.848 332 G HA2 0.013 3.973 3.960 -0.000 0.000 0.208 332 G HA3 0.013 3.973 3.960 -0.000 0.000 0.208 332 G C 0.732 175.633 174.900 0.001 0.000 1.152 332 G CA 0.459 45.541 45.100 -0.030 0.000 0.789 332 G HN 0.535 nan 8.290 nan 0.000 0.531 333 N N 0.021 118.741 118.700 0.033 0.000 2.305 333 N HA 0.141 4.881 4.740 -0.000 0.000 0.248 333 N C 1.580 177.226 175.510 0.227 0.000 1.290 333 N CA -0.157 52.956 53.050 0.106 0.000 0.873 333 N CB 0.661 39.215 38.487 0.112 0.000 1.261 333 N HN 0.193 nan 8.380 nan 0.000 0.504 334 L N 0.758 122.046 121.223 0.107 0.000 2.349 334 L HA -0.145 4.195 4.340 -0.000 0.000 0.220 334 L C 1.900 178.900 176.870 0.216 0.000 1.130 334 L CA 1.108 55.993 54.840 0.075 0.000 0.791 334 L CB -0.513 41.456 42.059 -0.150 0.000 0.918 334 L HN 0.159 nan 8.230 nan 0.000 0.444 335 D N 0.753 121.238 120.400 0.142 0.000 2.351 335 D HA -0.202 4.438 4.640 -0.000 0.000 0.216 335 D C 1.300 177.678 176.300 0.130 0.000 0.968 335 D CA 0.892 54.955 54.000 0.105 0.000 0.899 335 D CB -0.077 40.757 40.800 0.056 0.000 0.907 335 D HN 0.398 nan 8.370 nan 0.000 0.514 336 K N -0.762 119.759 120.400 0.201 0.000 2.372 336 K HA 0.187 4.507 4.320 -0.000 0.000 0.200 336 K C 0.138 176.775 176.600 0.060 0.000 1.022 336 K CA -0.266 56.080 56.287 0.098 0.000 1.125 336 K CB 0.456 32.970 32.500 0.023 0.000 0.855 336 K HN 0.085 nan 8.250 nan 0.000 0.524 337 F N -0.010 119.963 119.950 0.039 0.000 2.362 337 F HA 0.496 5.023 4.527 -0.000 0.000 0.340 337 F C 0.254 176.099 175.800 0.075 0.000 1.088 337 F CA -0.893 57.147 58.000 0.065 0.000 1.096 337 F CB 1.220 40.256 39.000 0.060 0.000 1.486 337 F HN -0.353 nan 8.300 nan 0.000 0.500 338 V N -0.097 120.003 119.914 0.311 0.000 2.801 338 V HA 0.312 4.432 4.120 -0.000 0.000 0.264 338 V C -1.673 174.548 176.094 0.213 0.000 1.843 338 V CA -0.667 61.766 62.300 0.222 0.000 0.878 338 V CB 1.483 33.426 31.823 0.200 0.000 1.380 338 V HN 0.740 nan 8.190 nan 0.000 0.425 339 S N 3.966 119.768 115.700 0.170 0.000 2.564 339 S HA 0.389 4.859 4.470 -0.000 0.000 0.141 339 S C -0.647 174.018 174.600 0.108 0.000 1.474 339 S CA 0.064 58.343 58.200 0.133 0.000 1.236 339 S CB 0.158 63.425 63.200 0.113 0.000 1.481 339 S HN 0.956 nan 8.310 nan 0.000 0.397 340 E N 3.037 123.317 120.200 0.134 0.000 2.028 340 E HA 0.306 4.656 4.350 -0.000 0.000 0.266 340 E C -2.168 174.478 176.600 0.077 0.000 0.962 340 E CA -1.926 54.542 56.400 0.114 0.000 0.784 340 E CB 1.251 31.044 29.700 0.155 0.000 1.114 340 E HN 0.294 nan 8.360 nan 0.000 0.414 341 P HA -0.219 nan 4.420 nan 0.000 0.217 341 P C 1.271 178.589 177.300 0.029 0.000 1.150 341 P CA 1.325 64.439 63.100 0.023 0.000 0.832 341 P CB 0.337 32.050 31.700 0.021 0.000 0.787 342 A N 0.606 123.451 122.820 0.041 0.000 1.877 342 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 342 A C 2.343 179.963 177.584 0.059 0.000 1.186 342 A CA 1.956 54.019 52.037 0.042 0.000 0.620 342 A CB -1.576 17.449 19.000 0.041 0.000 0.822 342 A HN 0.205 nan 8.150 nan 0.000 0.443 343 S N -0.503 115.249 115.700 0.088 0.000 2.660 343 S HA 0.306 4.776 4.470 -0.000 0.000 0.228 343 S C 1.124 175.815 174.600 0.152 0.000 0.966 343 S CA 0.599 58.881 58.200 0.137 0.000 0.940 343 S CB -0.796 62.520 63.200 0.193 0.000 0.773 343 S HN 1.600 nan 8.310 nan 0.000 0.535 344 G N 1.130 109.970 108.800 0.067 0.000 2.354 344 G HA2 0.150 4.110 3.960 -0.000 0.000 0.278 344 G HA3 0.150 4.110 3.960 -0.000 0.000 0.278 344 G C 0.178 175.000 174.900 -0.130 0.000 0.953 344 G CA 0.044 45.146 45.100 0.004 0.000 1.346 344 G HN 0.980 nan 8.290 nan 0.000 0.467 345 G N -1.375 107.274 108.800 -0.250 0.000 2.328 345 G HA2 0.865 4.825 3.960 -0.000 0.000 0.299 345 G HA3 0.865 4.825 3.960 -0.000 0.000 0.299 345 G C -0.491 174.160 174.900 -0.416 0.000 1.435 345 G CA 0.668 45.338 45.100 -0.717 0.000 0.865 345 G HN 2.511 nan 8.290 nan 0.000 0.601 346 S N -2.188 113.309 115.700 -0.338 0.000 2.615 346 S HA 0.777 5.247 4.470 -0.000 0.000 0.268 346 S C -1.806 172.887 174.600 0.154 0.000 1.146 346 S CA -0.500 57.730 58.200 0.049 0.000 0.818 346 S CB 1.913 65.153 63.200 0.067 0.000 1.111 346 S HN 1.761 nan 8.310 nan 0.000 0.465 347 V N 1.875 121.897 119.914 0.179 0.000 2.509 347 V HA 0.507 4.627 4.120 -0.000 0.000 0.289 347 V C -0.629 175.491 176.094 0.043 0.000 1.026 347 V CA -0.485 61.879 62.300 0.107 0.000 0.872 347 V CB 1.259 33.116 31.823 0.057 0.000 1.017 347 V HN 0.937 nan 8.190 nan 0.000 0.436 348 K N 3.682 124.133 120.400 0.086 0.000 2.303 348 K HA 0.864 5.184 4.320 -0.000 0.000 0.233 348 K C -1.321 175.337 176.600 0.096 0.000 1.046 348 K CA -1.045 55.351 56.287 0.181 0.000 0.895 348 K CB 2.333 34.987 32.500 0.258 0.000 1.220 348 K HN 0.368 nan 8.250 nan 0.000 0.470 349 L N 0.363 121.756 121.223 0.284 0.000 2.401 349 L HA 0.389 4.729 4.340 -0.000 0.000 0.266 349 L C -1.506 175.506 176.870 0.236 0.000 0.991 349 L CA -0.090 54.888 54.840 0.229 0.000 0.818 349 L CB 2.172 44.425 42.059 0.322 0.000 1.321 349 L HN 0.583 nan 8.230 nan 0.000 0.413 350 E N 4.467 124.747 120.200 0.134 0.000 2.238 350 E HA 0.603 4.953 4.350 -0.000 0.000 0.267 350 E C -1.432 175.164 176.600 -0.006 0.000 0.887 350 E CA -0.613 55.791 56.400 0.008 0.000 0.769 350 E CB 2.480 32.147 29.700 -0.056 0.000 1.187 350 E HN 0.472 nan 8.360 nan 0.000 0.416 351 I N 2.564 123.089 120.570 -0.075 0.000 2.447 351 I HA 0.296 4.466 4.170 -0.000 0.000 0.287 351 I C -0.451 175.566 176.117 -0.167 0.000 1.023 351 I CA -0.572 60.687 61.300 -0.068 0.000 1.083 351 I CB 1.624 39.627 38.000 0.004 0.000 1.245 351 I HN 0.523 nan 8.210 nan 0.000 0.434 352 E N 4.547 124.638 120.200 -0.181 0.000 2.429 352 E HA 0.812 5.162 4.350 -0.000 0.000 0.276 352 E C 0.156 176.499 176.600 -0.428 0.000 0.953 352 E CA -0.819 55.433 56.400 -0.247 0.000 0.787 352 E CB 2.022 31.654 29.700 -0.113 0.000 1.307 352 E HN 0.748 nan 8.360 nan 0.000 0.458 353 G N 0.952 109.207 108.800 -0.908 0.000 2.552 353 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.265 353 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.265 353 G C -0.012 174.524 174.900 -0.606 0.000 1.234 353 G CA 1.046 45.230 45.100 -1.525 0.000 0.944 353 G HN 1.295 nan 8.290 nan 0.000 0.568 354 M N -3.051 116.358 119.600 -0.320 0.000 3.493 354 M HA 0.624 5.104 4.480 -0.000 0.000 0.300 354 M C -3.443 172.888 176.300 0.050 0.000 1.288 354 M CA -1.688 53.541 55.300 -0.118 0.000 0.867 354 M CB -0.072 32.466 32.600 -0.103 0.000 1.735 354 M HN 0.428 nan 8.290 nan 0.000 0.518 355 P HA 0.649 nan 4.420 nan 0.000 0.277 355 P C -1.355 176.031 177.300 0.144 0.000 1.240 355 P CA 0.169 63.236 63.100 -0.056 0.000 0.798 355 P CB 0.280 31.934 31.700 -0.076 0.000 0.979 356 F N -1.848 118.123 119.950 0.036 0.000 2.678 356 F HA 0.730 5.257 4.527 -0.000 0.000 0.308 356 F C -0.009 175.831 175.800 0.067 0.000 1.118 356 F CA -1.222 56.812 58.000 0.058 0.000 0.959 356 F CB 0.508 39.569 39.000 0.103 0.000 1.305 356 F HN 0.370 nan 8.300 nan 0.000 0.443 357 G N 0.242 109.184 108.800 0.236 0.000 2.557 357 G HA2 0.354 4.314 3.960 -0.000 0.000 0.292 357 G HA3 0.354 4.314 3.960 -0.000 0.000 0.292 357 G C -1.152 173.704 174.900 -0.073 0.000 1.237 357 G CA -0.699 44.435 45.100 0.057 0.000 0.978 357 G HN 0.806 nan 8.290 nan 0.000 0.498 358 N N 0.278 118.817 118.700 -0.268 0.000 2.757 358 N HA 0.251 4.991 4.740 -0.000 0.000 0.296 358 N C -1.223 174.185 175.510 -0.170 0.000 1.874 358 N CA -1.697 51.034 53.050 -0.531 0.000 0.885 358 N CB 1.367 39.422 38.487 -0.720 0.000 1.242 358 N HN 0.150 nan 8.380 nan 0.000 0.488 359 P HA -0.145 nan 4.420 nan 0.000 0.216 359 P C 0.364 177.682 177.300 0.031 0.000 1.150 359 P CA 1.188 64.288 63.100 0.000 0.000 0.837 359 P CB 0.462 32.177 31.700 0.025 0.000 0.786 360 K N -0.648 119.780 120.400 0.047 0.000 2.458 360 K HA 0.096 4.416 4.320 -0.000 0.000 0.194 360 K C 0.295 176.967 176.600 0.121 0.000 1.024 360 K CA -0.281 56.062 56.287 0.094 0.000 1.108 360 K CB -0.022 32.548 32.500 0.117 0.000 0.846 360 K HN -0.142 nan 8.250 nan 0.000 0.518 361 R N 1.150 121.702 120.500 0.087 0.000 3.405 361 R HA -0.125 4.215 4.340 -0.000 0.000 0.258 361 R C -0.077 176.401 176.300 0.297 0.000 1.030 361 R CA 1.270 57.462 56.100 0.152 0.000 0.691 361 R CB -3.083 27.307 30.300 0.151 0.000 1.093 361 R HN 0.538 nan 8.270 nan 0.000 0.448 362 T N -2.338 112.339 114.554 0.204 0.000 2.813 362 T HA 0.346 4.696 4.350 -0.000 0.000 0.297 362 T C -0.670 174.111 174.700 0.136 0.000 1.036 362 T CA -1.112 61.059 62.100 0.118 0.000 1.044 362 T CB 1.562 70.470 68.868 0.066 0.000 0.993 362 T HN -0.016 nan 8.240 nan 0.000 0.535 363 P HA 0.134 nan 4.420 nan 0.000 0.229 363 P C 0.518 177.943 177.300 0.209 0.000 1.160 363 P CA 0.229 63.311 63.100 -0.029 0.000 0.777 363 P CB -0.270 31.077 31.700 -0.588 0.000 0.814 364 A N 1.251 124.152 122.820 0.135 0.000 2.477 364 A HA 0.147 4.467 4.320 -0.000 0.000 0.246 364 A C 0.552 178.189 177.584 0.088 0.000 1.078 364 A CA -0.302 51.785 52.037 0.084 0.000 0.770 364 A CB -0.377 18.607 19.000 -0.028 0.000 1.011 364 A HN 0.109 nan 8.150 nan 0.000 0.494 365 R N 1.360 121.838 120.500 -0.036 0.000 2.594 365 R HA 0.290 4.630 4.340 -0.000 0.000 0.272 365 R C -1.023 175.209 176.300 -0.114 0.000 1.074 365 R CA 0.072 56.173 56.100 0.002 0.000 1.105 365 R CB 0.182 30.428 30.300 -0.089 0.000 1.008 365 R HN 0.860 nan 8.270 nan 0.000 0.472 366 H N 2.161 121.173 119.070 -0.096 0.000 2.495 366 H HA 0.345 4.901 4.556 -0.000 0.000 0.348 366 H C -0.331 174.607 175.328 -0.650 0.000 1.113 366 H CA -0.721 55.139 56.048 -0.315 0.000 1.195 366 H CB 1.329 30.998 29.762 -0.155 0.000 1.521 366 H HN 0.490 nan 8.280 nan 0.000 0.509 367 R N 1.341 121.187 120.500 -1.090 0.000 2.756 367 R HA 0.004 4.344 4.340 -0.000 0.000 0.264 367 R C -0.247 175.745 176.300 -0.513 0.000 1.026 367 R CA 0.350 56.054 56.100 -0.660 0.000 1.121 367 R CB 0.386 30.401 30.300 -0.476 0.000 0.999 367 R HN 0.737 nan 8.270 nan 0.000 0.449 368 D N -0.241 119.993 120.400 -0.276 0.000 2.500 368 D HA 0.273 4.913 4.640 -0.000 0.000 0.217 368 D C -0.412 175.796 176.300 -0.154 0.000 1.159 368 D CA 0.177 54.064 54.000 -0.188 0.000 0.828 368 D CB 1.165 41.885 40.800 -0.133 0.000 1.039 368 D HN 0.562 nan 8.370 nan 0.000 0.512 369 A N -0.091 122.628 122.820 -0.169 0.000 2.566 369 A HA 0.510 4.830 4.320 -0.000 0.000 0.290 369 A C -0.722 176.757 177.584 -0.174 0.000 1.071 369 A CA -0.721 51.219 52.037 -0.161 0.000 0.658 369 A CB 0.718 19.622 19.000 -0.159 0.000 1.285 369 A HN -0.035 nan 8.150 nan 0.000 0.427 370 M N 0.842 120.320 119.600 -0.204 0.000 2.240 370 M HA 0.320 4.800 4.480 -0.000 0.000 0.317 370 M C 1.022 177.203 176.300 -0.199 0.000 1.087 370 M CA 0.892 56.059 55.300 -0.222 0.000 1.176 370 M CB 0.307 32.745 32.600 -0.270 0.000 1.439 370 M HN 0.906 nan 8.290 nan 0.000 0.452 371 G N 0.828 109.533 108.800 -0.158 0.000 2.377 371 G HA2 0.540 4.500 3.960 -0.000 0.000 0.299 371 G HA3 0.540 4.500 3.960 -0.000 0.000 0.299 371 G C -1.089 173.752 174.900 -0.098 0.000 1.150 371 G CA -0.544 44.496 45.100 -0.100 0.000 0.847 371 G HN 0.542 nan 8.290 nan 0.000 0.501 372 V N 3.207 123.091 119.914 -0.050 0.000 2.350 372 V HA 0.399 4.519 4.120 -0.000 0.000 0.285 372 V C -0.560 175.573 176.094 0.064 0.000 1.014 372 V CA -0.711 61.612 62.300 0.039 0.000 0.831 372 V CB 1.131 33.021 31.823 0.112 0.000 1.000 372 V HN 0.660 nan 8.190 nan 0.000 0.433 373 L N 5.221 126.482 121.223 0.064 0.000 2.325 373 L HA 0.917 5.257 4.340 -0.000 0.000 0.281 373 L C 0.189 177.112 176.870 0.089 0.000 1.004 373 L CA -0.408 54.470 54.840 0.063 0.000 0.823 373 L CB 1.489 43.542 42.059 -0.009 0.000 1.236 373 L HN 0.671 nan 8.230 nan 0.000 0.415 374 A N 5.580 128.465 122.820 0.109 0.000 2.269 374 A HA 0.666 4.986 4.320 -0.000 0.000 0.302 374 A C -0.666 177.017 177.584 0.165 0.000 1.266 374 A CA -0.381 51.710 52.037 0.089 0.000 0.894 374 A CB -0.091 18.947 19.000 0.063 0.000 1.147 374 A HN 0.667 nan 8.150 nan 0.000 0.537 375 L N 1.302 122.626 121.223 0.169 0.000 2.397 375 L HA 0.859 5.199 4.340 -0.000 0.000 0.266 375 L C 0.603 177.638 176.870 0.276 0.000 1.040 375 L CA 0.152 55.172 54.840 0.300 0.000 0.800 375 L CB 1.218 43.447 42.059 0.283 0.000 1.324 375 L HN 0.885 nan 8.230 nan 0.000 0.469 376 A N 0.464 123.502 122.820 0.364 0.000 2.480 376 A HA 0.338 4.658 4.320 -0.000 0.000 0.302 376 A C -0.774 177.075 177.584 0.441 0.000 1.151 376 A CA -0.549 51.716 52.037 0.380 0.000 0.907 376 A CB 0.084 19.331 19.000 0.411 0.000 1.487 376 A HN 0.588 nan 8.150 nan 0.000 0.396 377 E N 1.458 121.810 120.200 0.253 0.000 2.301 377 E HA 0.653 5.003 4.350 -0.000 0.000 0.275 377 E C -0.710 175.932 176.600 0.069 0.000 1.030 377 E CA -0.303 56.149 56.400 0.086 0.000 0.852 377 E CB 1.125 30.852 29.700 0.046 0.000 1.060 377 E HN 1.046 nan 8.360 nan 0.000 0.401 378 W N 1.793 122.946 121.300 -0.245 0.000 3.370 378 W HA 0.226 4.886 4.660 0.000 0.000 0.304 378 W C -2.036 174.366 176.519 -0.194 0.000 1.161 378 W CA -0.788 56.358 57.345 -0.331 0.000 1.132 378 W CB 0.143 29.374 29.460 -0.381 0.000 1.377 378 W HN 0.249 nan 8.180 nan 0.000 0.568 379 S N 1.551 117.278 115.700 0.045 0.000 2.411 379 S HA 0.422 4.892 4.470 -0.000 0.000 0.294 379 S C 1.070 175.820 174.600 0.250 0.000 1.115 379 S CA 0.273 58.465 58.200 -0.013 0.000 1.071 379 S CB 0.420 63.623 63.200 0.005 0.000 0.967 379 S HN 1.285 nan 8.310 nan 0.000 0.488 380 G N 3.564 112.423 108.800 0.099 0.000 2.708 380 G HA2 0.105 4.065 3.960 -0.000 0.000 0.210 380 G HA3 0.105 4.065 3.960 -0.000 0.000 0.210 380 G C 1.211 176.209 174.900 0.164 0.000 1.141 380 G CA 0.547 45.843 45.100 0.327 0.000 0.788 380 G HN 0.820 nan 8.290 nan 0.000 0.531 381 A N 0.895 123.770 122.820 0.090 0.000 1.861 381 A HA 0.635 4.955 4.320 -0.000 0.000 0.212 381 A C 1.952 179.580 177.584 0.074 0.000 1.199 381 A CA 1.052 53.121 52.037 0.054 0.000 0.613 381 A CB -0.779 18.232 19.000 0.018 0.000 0.846 381 A HN 0.865 nan 8.150 nan 0.000 0.446 382 A N 0.401 123.280 122.820 0.097 0.000 2.567 382 A HA 0.397 4.717 4.320 -0.000 0.000 0.236 382 A C -2.247 175.390 177.584 0.088 0.000 1.088 382 A CA -0.298 51.797 52.037 0.097 0.000 0.776 382 A CB -0.784 18.296 19.000 0.133 0.000 1.033 382 A HN 0.333 nan 8.150 nan 0.000 0.513 383 P HA 0.405 nan 4.420 nan 0.000 0.279 383 P C 0.903 178.210 177.300 0.011 0.000 1.252 383 P CA 0.975 64.093 63.100 0.029 0.000 0.811 383 P CB 0.765 32.474 31.700 0.015 0.000 1.035 384 G N 1.311 110.093 108.800 -0.030 0.000 2.225 384 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.272 384 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.272 384 G C 1.249 176.062 174.900 -0.145 0.000 0.996 384 G CA 1.036 46.080 45.100 -0.093 0.000 0.710 384 G HN 0.604 nan 8.290 nan 0.000 0.522 385 S N 0.693 116.369 115.700 -0.040 0.000 2.420 385 S HA -0.194 4.276 4.470 -0.000 0.000 0.237 385 S C 1.870 176.256 174.600 -0.356 0.000 1.023 385 S CA 1.720 59.921 58.200 0.001 0.000 0.991 385 S CB -0.234 63.095 63.200 0.214 0.000 0.792 385 S HN 0.888 nan 8.310 nan 0.000 0.488 386 E N 2.967 122.986 120.200 -0.302 0.000 2.533 386 E HA -0.144 4.206 4.350 -0.000 0.000 0.201 386 E C 1.537 177.895 176.600 -0.403 0.000 1.097 386 E CA 0.867 57.038 56.400 -0.382 0.000 0.887 386 E CB -0.440 29.140 29.700 -0.200 0.000 0.855 386 E HN 0.932 nan 8.360 nan 0.000 0.540 387 K N 0.202 120.321 120.400 -0.468 0.000 2.076 387 K HA -0.139 4.181 4.320 -0.000 0.000 0.204 387 K C 1.503 177.786 176.600 -0.529 0.000 1.051 387 K CA 0.877 56.868 56.287 -0.494 0.000 0.949 387 K CB -0.585 31.548 32.500 -0.611 0.000 0.726 387 K HN -0.001 nan 8.250 nan 0.000 0.443 388 Y N 2.408 122.475 120.300 -0.388 0.000 2.089 388 Y HA -0.106 4.444 4.550 0.000 0.000 0.282 388 Y C -0.458 175.226 175.900 -0.359 0.000 1.139 388 Y CA 1.187 59.083 58.100 -0.341 0.000 1.123 388 Y CB -1.827 36.432 38.460 -0.334 0.000 0.980 388 Y HN 0.165 nan 8.280 nan 0.000 0.493 389 P HA -0.174 nan 4.420 nan 0.000 0.215 389 P C 1.252 178.459 177.300 -0.156 0.000 1.153 389 P CA 1.702 64.630 63.100 -0.286 0.000 0.853 389 P CB 0.111 31.545 31.700 -0.443 0.000 0.788 390 E N -0.258 119.819 120.200 -0.205 0.000 2.070 390 E HA -0.183 4.167 4.350 -0.000 0.000 0.197 390 E C 2.094 178.631 176.600 -0.105 0.000 1.004 390 E CA 0.884 57.201 56.400 -0.139 0.000 0.805 390 E CB -1.033 28.571 29.700 -0.161 0.000 0.744 390 E HN 0.160 nan 8.360 nan 0.000 0.451 391 L N 0.615 121.765 121.223 -0.122 0.000 2.056 391 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 391 L C 2.214 179.042 176.870 -0.070 0.000 1.078 391 L CA 2.079 56.866 54.840 -0.089 0.000 0.749 391 L CB -0.851 41.154 42.059 -0.089 0.000 0.901 391 L HN 0.054 nan 8.230 nan 0.000 0.433 392 A N -0.385 122.407 122.820 -0.047 0.000 1.883 392 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 392 A C 2.391 179.966 177.584 -0.015 0.000 1.186 392 A CA 1.875 53.895 52.037 -0.028 0.000 0.624 392 A CB -0.585 18.447 19.000 0.052 0.000 0.822 392 A HN 0.491 nan 8.150 nan 0.000 0.444 393 R N -0.395 120.103 120.500 -0.003 0.000 2.105 393 R HA -0.163 4.177 4.340 -0.000 0.000 0.239 393 R C 2.128 178.425 176.300 -0.005 0.000 1.135 393 R CA 1.573 57.680 56.100 0.011 0.000 0.967 393 R CB -0.361 29.942 30.300 0.006 0.000 0.861 393 R HN 0.696 nan 8.270 nan 0.000 0.442 394 E N 0.552 120.736 120.200 -0.027 0.000 2.051 394 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 394 E C 1.964 178.549 176.600 -0.025 0.000 0.991 394 E CA 1.015 57.399 56.400 -0.026 0.000 0.799 394 E CB -0.131 29.548 29.700 -0.035 0.000 0.748 394 E HN 0.083 nan 8.360 nan 0.000 0.449 395 L N 1.908 123.102 121.223 -0.049 0.000 1.989 395 L HA -0.236 4.104 4.340 -0.000 0.000 0.211 395 L C 1.924 178.777 176.870 -0.028 0.000 1.071 395 L CA 2.279 57.079 54.840 -0.067 0.000 0.749 395 L CB -0.759 41.195 42.059 -0.175 0.000 0.890 395 L HN 0.053 nan 8.230 nan 0.000 0.431 396 D N -0.556 119.840 120.400 -0.008 0.000 2.108 396 D HA -0.231 4.409 4.640 -0.000 0.000 0.190 396 D C 2.120 178.427 176.300 0.011 0.000 0.995 396 D CA 2.011 56.023 54.000 0.020 0.000 0.834 396 D CB -0.321 40.510 40.800 0.051 0.000 0.967 396 D HN 0.446 nan 8.370 nan 0.000 0.446 397 A N 0.613 123.438 122.820 0.010 0.000 1.927 397 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 397 A C 2.426 180.009 177.584 -0.002 0.000 1.185 397 A CA 3.125 55.164 52.037 0.004 0.000 0.639 397 A CB -1.386 17.616 19.000 0.004 0.000 0.820 397 A HN 0.415 nan 8.150 nan 0.000 0.451 398 A N -0.196 122.622 122.820 -0.003 0.000 1.859 398 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 398 A C 2.187 179.769 177.584 -0.003 0.000 1.198 398 A CA 1.767 53.802 52.037 -0.003 0.000 0.629 398 A CB -0.820 18.179 19.000 -0.002 0.000 0.830 398 A HN 0.531 nan 8.150 nan 0.000 0.446 399 L N -1.185 120.038 121.223 -0.000 0.000 2.083 399 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 399 L C 2.552 179.432 176.870 0.017 0.000 1.083 399 L CA 1.006 55.850 54.840 0.006 0.000 0.752 399 L CB -0.602 41.473 42.059 0.028 0.000 0.899 399 L HN 0.445 nan 8.230 nan 0.000 0.433 400 L N 0.916 122.143 121.223 0.006 0.000 2.056 400 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 400 L C 2.797 179.660 176.870 -0.011 0.000 1.078 400 L CA 1.744 56.577 54.840 -0.011 0.000 0.749 400 L CB -0.520 41.520 42.059 -0.031 0.000 0.901 400 L HN 0.273 nan 8.230 nan 0.000 0.433 401 R N -0.538 119.957 120.500 -0.008 0.000 2.193 401 R HA 0.124 4.464 4.340 -0.000 0.000 0.213 401 R C 1.713 178.011 176.300 -0.005 0.000 1.055 401 R CA 0.981 57.076 56.100 -0.007 0.000 0.995 401 R CB -0.633 29.664 30.300 -0.006 0.000 0.893 401 R HN 0.273 nan 8.270 nan 0.000 0.459 402 A N 0.806 123.624 122.820 -0.002 0.000 2.235 402 A HA 0.271 4.591 4.320 -0.000 0.000 0.208 402 A C 1.653 179.242 177.584 0.007 0.000 1.172 402 A CA 0.450 52.487 52.037 -0.001 0.000 0.786 402 A CB -0.523 18.472 19.000 -0.007 0.000 0.804 402 A HN 0.631 nan 8.150 nan 0.000 0.479 403 G N -1.208 107.596 108.800 0.007 0.000 2.175 403 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.265 403 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.265 403 G C 1.081 176.000 174.900 0.031 0.000 0.979 403 G CA 1.181 46.287 45.100 0.009 0.000 0.663 403 G HN 1.541 nan 8.290 nan 0.000 0.533 404 V N -1.933 118.020 119.914 0.065 0.000 3.354 404 V HA 0.421 4.541 4.120 -0.000 0.000 0.258 404 V C 1.177 177.374 176.094 0.171 0.000 1.159 404 V CA 1.522 63.911 62.300 0.147 0.000 1.125 404 V CB -0.204 31.755 31.823 0.228 0.000 0.774 404 V HN 1.129 nan 8.190 nan 0.000 0.464 405 T N -0.182 114.432 114.554 0.100 0.000 2.918 405 T HA 0.563 4.913 4.350 -0.000 0.000 0.286 405 T C 0.167 174.846 174.700 -0.034 0.000 1.026 405 T CA 0.260 62.389 62.100 0.048 0.000 1.031 405 T CB 1.378 70.282 68.868 0.060 0.000 1.046 405 T HN 0.590 nan 8.240 nan 0.000 0.479 406 T N 0.161 114.667 114.554 -0.079 0.000 2.926 406 T HA 0.218 4.568 4.350 -0.000 0.000 0.307 406 T C 1.664 176.263 174.700 -0.169 0.000 1.059 406 T CA -0.152 61.882 62.100 -0.110 0.000 1.122 406 T CB 0.650 69.447 68.868 -0.118 0.000 0.972 406 T HN 0.861 nan 8.240 nan 0.000 0.545 407 S N 2.072 117.682 115.700 -0.150 0.000 2.382 407 S HA 0.108 4.578 4.470 -0.000 0.000 0.228 407 S C 1.336 175.747 174.600 -0.314 0.000 1.027 407 S CA 0.175 58.264 58.200 -0.185 0.000 0.991 407 S CB -0.964 62.173 63.200 -0.106 0.000 0.823 407 S HN 1.170 nan 8.310 nan 0.000 0.469 408 G N 0.369 109.024 108.800 -0.241 0.000 2.537 408 G HA2 0.518 4.478 3.960 -0.000 0.000 0.273 408 G HA3 0.518 4.478 3.960 -0.000 0.000 0.273 408 G C -0.593 174.091 174.900 -0.360 0.000 1.189 408 G CA -0.874 44.087 45.100 -0.231 0.000 0.881 408 G HN 0.266 nan 8.290 nan 0.000 0.535 409 F N -0.242 119.688 119.950 -0.034 0.000 2.370 409 F HA 0.473 5.000 4.527 -0.000 0.000 0.319 409 F C 1.585 177.347 175.800 -0.064 0.000 1.129 409 F CA 0.439 58.414 58.000 -0.041 0.000 1.109 409 F CB 1.373 40.346 39.000 -0.045 0.000 1.262 409 F HN 0.554 nan 8.300 nan 0.000 0.534 410 G N 0.979 109.851 108.800 0.119 0.000 2.648 410 G HA2 0.221 4.181 3.960 -0.000 0.000 0.217 410 G HA3 0.221 4.181 3.960 -0.000 0.000 0.217 410 G C -0.187 174.705 174.900 -0.013 0.000 1.386 410 G CA -0.110 45.002 45.100 0.020 0.000 0.920 410 G HN 0.364 nan 8.290 nan 0.000 0.540 411 L N 0.869 122.083 121.223 -0.016 0.000 2.346 411 L HA 0.399 4.739 4.340 -0.000 0.000 0.276 411 L C 1.166 177.966 176.870 -0.117 0.000 1.006 411 L CA -0.681 54.114 54.840 -0.076 0.000 0.817 411 L CB 2.456 44.493 42.059 -0.038 0.000 1.272 411 L HN 0.189 nan 8.230 nan 0.000 0.421 412 L N 1.563 122.622 121.223 -0.273 0.000 2.046 412 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 412 L C 1.766 178.492 176.870 -0.241 0.000 1.077 412 L CA 1.155 55.704 54.840 -0.486 0.000 0.747 412 L CB -0.347 41.015 42.059 -1.162 0.000 0.896 412 L HN 0.729 nan 8.230 nan 0.000 0.432 413 N N 0.422 119.100 118.700 -0.036 0.000 2.430 413 N HA -0.158 4.582 4.740 -0.000 0.000 0.186 413 N C 0.977 176.581 175.510 0.156 0.000 1.032 413 N CA 0.971 54.120 53.050 0.165 0.000 0.893 413 N CB -0.362 38.179 38.487 0.091 0.000 0.957 413 N HN 0.333 nan 8.380 nan 0.000 0.442 414 N N -0.172 118.572 118.700 0.073 0.000 2.235 414 N HA 0.117 4.857 4.740 -0.000 0.000 0.209 414 N C -0.941 174.707 175.510 0.230 0.000 1.122 414 N CA -0.011 53.076 53.050 0.061 0.000 0.845 414 N CB 0.301 38.773 38.487 -0.024 0.000 1.004 414 N HN 0.082 nan 8.380 nan 0.000 0.499 415 N N -0.543 118.312 118.700 0.259 0.000 2.399 415 N HA 0.082 4.822 4.740 -0.000 0.000 0.284 415 N C 0.165 175.804 175.510 0.216 0.000 1.025 415 N CA 0.006 53.190 53.050 0.223 0.000 0.885 415 N CB 1.806 40.295 38.487 0.003 0.000 1.339 415 N HN 0.068 nan 8.380 nan 0.000 0.487 416 S N 0.941 116.762 115.700 0.201 0.000 2.527 416 S HA 0.075 4.545 4.470 -0.000 0.000 0.222 416 S C 0.424 175.020 174.600 -0.005 0.000 0.985 416 S CA 0.542 58.743 58.200 0.003 0.000 0.921 416 S CB 0.085 63.180 63.200 -0.175 0.000 0.772 416 S HN 0.539 nan 8.310 nan 0.000 0.529 417 E N 1.450 121.657 120.200 0.011 0.000 3.303 417 E HA 0.353 4.703 4.350 -0.000 0.000 0.215 417 E C -1.528 175.035 176.600 -0.060 0.000 1.181 417 E CA -0.330 56.066 56.400 -0.007 0.000 0.998 417 E CB 1.585 31.295 29.700 0.017 0.000 1.312 417 E HN 0.182 nan 8.360 nan 0.000 0.412 418 V N 2.435 122.332 119.914 -0.029 0.000 2.470 418 V HA 0.147 4.267 4.120 -0.000 0.000 0.276 418 V C 0.759 176.857 176.094 0.007 0.000 1.040 418 V CA -0.097 62.175 62.300 -0.048 0.000 1.008 418 V CB 0.598 32.464 31.823 0.071 0.000 0.990 418 V HN 0.532 nan 8.190 nan 0.000 0.477 419 T N 2.167 116.683 114.554 -0.063 0.000 2.948 419 T HA 0.674 5.024 4.350 -0.000 0.000 0.285 419 T C 1.194 175.899 174.700 0.008 0.000 1.019 419 T CA -0.085 62.008 62.100 -0.011 0.000 1.013 419 T CB 1.981 70.829 68.868 -0.034 0.000 1.117 419 T HN 0.603 nan 8.240 nan 0.000 0.533 420 A N 0.216 123.057 122.820 0.036 0.000 1.902 420 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 420 A C 2.223 179.811 177.584 0.006 0.000 1.181 420 A CA 1.878 53.944 52.037 0.049 0.000 0.623 420 A CB -1.204 17.824 19.000 0.048 0.000 0.818 420 A HN 1.035 nan 8.150 nan 0.000 0.443 421 E N -0.593 119.603 120.200 -0.007 0.000 2.097 421 E HA -0.285 4.065 4.350 -0.000 0.000 0.196 421 E C 2.012 178.610 176.600 -0.005 0.000 1.000 421 E CA 1.758 58.153 56.400 -0.008 0.000 0.804 421 E CB -0.242 29.469 29.700 0.020 0.000 0.740 421 E HN 0.685 nan 8.360 nan 0.000 0.454 422 M N 0.302 119.870 119.600 -0.054 0.000 2.086 422 M HA -0.174 4.306 4.480 -0.000 0.000 0.261 422 M C 2.226 178.495 176.300 -0.051 0.000 1.067 422 M CA 1.461 56.685 55.300 -0.126 0.000 1.116 422 M CB -0.018 32.331 32.600 -0.417 0.000 1.348 422 M HN 0.061 nan 8.290 nan 0.000 0.407 423 V N 1.077 120.990 119.914 -0.002 0.000 2.252 423 V HA -0.306 3.814 4.120 -0.000 0.000 0.249 423 V C 2.709 178.951 176.094 0.248 0.000 1.056 423 V CA 2.158 64.546 62.300 0.146 0.000 1.022 423 V CB -1.732 30.260 31.823 0.282 0.000 0.641 423 V HN 0.675 nan 8.190 nan 0.000 0.445 424 A N -0.671 122.188 122.820 0.066 0.000 1.902 424 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 424 A C 2.341 179.947 177.584 0.037 0.000 1.181 424 A CA 1.946 53.915 52.037 -0.112 0.000 0.623 424 A CB -0.544 18.202 19.000 -0.424 0.000 0.818 424 A HN 0.617 nan 8.150 nan 0.000 0.443 425 E N 0.058 120.281 120.200 0.038 0.000 2.038 425 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 425 E C 1.999 178.649 176.600 0.083 0.000 1.000 425 E CA 1.866 58.307 56.400 0.068 0.000 0.803 425 E CB -0.160 29.606 29.700 0.111 0.000 0.750 425 E HN 0.349 nan 8.360 nan 0.000 0.448 426 V N 0.321 120.271 119.914 0.059 0.000 2.295 426 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 426 V C 2.203 178.294 176.094 -0.005 0.000 1.049 426 V CA 1.872 64.162 62.300 -0.018 0.000 1.024 426 V CB -0.847 30.883 31.823 -0.154 0.000 0.648 426 V HN 0.302 nan 8.190 nan 0.000 0.447 427 Y N 0.213 120.576 120.300 0.105 0.000 2.293 427 Y HA 0.058 4.608 4.550 -0.000 0.000 0.291 427 Y C 1.163 177.158 175.900 0.159 0.000 1.137 427 Y CA 0.527 58.714 58.100 0.145 0.000 1.202 427 Y CB -0.184 38.410 38.460 0.224 0.000 0.990 427 Y HN 0.269 nan 8.280 nan 0.000 0.537 428 K N -2.485 118.092 120.400 0.295 0.000 5.560 428 K HA -0.153 4.167 4.320 -0.000 0.000 0.669 428 K C -2.505 174.236 176.600 0.234 0.000 2.466 428 K CA 0.021 56.432 56.287 0.206 0.000 1.913 428 K CB -0.926 31.676 32.500 0.170 0.000 2.891 428 K HN -0.093 nan 8.250 nan 0.000 0.152 429 P HA -0.312 nan 4.420 nan 0.000 0.219 429 P C 0.769 178.183 177.300 0.191 0.000 1.159 429 P CA 2.003 65.193 63.100 0.149 0.000 0.944 429 P CB 0.169 31.922 31.700 0.088 0.000 0.792 430 E N -0.800 119.491 120.200 0.153 0.000 2.021 430 E HA -0.165 4.185 4.350 -0.000 0.000 0.200 430 E C 2.062 178.776 176.600 0.189 0.000 1.015 430 E CA 1.375 57.856 56.400 0.136 0.000 0.824 430 E CB -1.580 28.181 29.700 0.103 0.000 0.762 430 E HN -0.014 nan 8.360 nan 0.000 0.454 431 V N 0.382 120.448 119.914 0.254 0.000 2.278 431 V HA -0.329 3.791 4.120 -0.000 0.000 0.251 431 V C 2.097 178.384 176.094 0.323 0.000 1.062 431 V CA 2.245 64.765 62.300 0.368 0.000 1.038 431 V CB -0.721 31.343 31.823 0.401 0.000 0.646 431 V HN 0.303 nan 8.190 nan 0.000 0.447 432 Y N 1.324 121.726 120.300 0.170 0.000 2.081 432 Y HA -0.297 4.253 4.550 0.000 0.000 0.280 432 Y C 2.838 178.800 175.900 0.104 0.000 1.163 432 Y CA 2.189 60.349 58.100 0.101 0.000 1.135 432 Y CB -0.350 38.176 38.460 0.110 0.000 0.970 432 Y HN 0.198 nan 8.280 nan 0.000 0.498 433 S N -0.178 115.682 115.700 0.266 0.000 2.399 433 S HA -0.194 4.276 4.470 -0.000 0.000 0.231 433 S C 2.020 176.670 174.600 0.084 0.000 1.022 433 S CA 1.323 59.621 58.200 0.164 0.000 0.983 433 S CB -0.335 62.959 63.200 0.157 0.000 0.803 433 S HN 0.433 nan 8.310 nan 0.000 0.480 434 R N 0.824 121.386 120.500 0.104 0.000 2.073 434 R HA 0.079 4.419 4.340 -0.000 0.000 0.229 434 R C 2.101 178.504 176.300 0.171 0.000 1.120 434 R CA 0.935 57.077 56.100 0.069 0.000 0.967 434 R CB -0.288 29.981 30.300 -0.052 0.000 0.862 434 R HN 0.341 nan 8.270 nan 0.000 0.436 435 L N 0.319 121.678 121.223 0.226 0.000 2.131 435 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 435 L C 2.628 179.525 176.870 0.045 0.000 1.092 435 L CA 1.157 56.079 54.840 0.136 0.000 0.759 435 L CB -0.500 41.494 42.059 -0.109 0.000 0.903 435 L HN 0.325 nan 8.230 nan 0.000 0.435 436 A N 0.020 122.791 122.820 -0.082 0.000 1.972 436 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 436 A C 2.521 180.132 177.584 0.045 0.000 1.169 436 A CA 1.676 53.676 52.037 -0.061 0.000 0.635 436 A CB -0.529 18.437 19.000 -0.057 0.000 0.810 436 A HN 0.410 nan 8.150 nan 0.000 0.446 437 A N -0.584 122.267 122.820 0.052 0.000 1.898 437 A HA 0.049 4.369 4.320 -0.000 0.000 0.216 437 A C 2.195 179.823 177.584 0.073 0.000 1.181 437 A CA 1.620 53.687 52.037 0.051 0.000 0.620 437 A CB -0.869 18.148 19.000 0.029 0.000 0.819 437 A HN 0.374 nan 8.150 nan 0.000 0.442 438 V N 0.341 120.303 119.914 0.079 0.000 2.343 438 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 438 V C 2.554 178.775 176.094 0.211 0.000 1.051 438 V CA 2.439 64.769 62.300 0.049 0.000 1.036 438 V CB -0.666 30.987 31.823 -0.283 0.000 0.654 438 V HN 0.620 nan 8.190 nan 0.000 0.451 439 K N 0.738 121.347 120.400 0.349 0.000 2.032 439 K HA -0.159 4.161 4.320 -0.000 0.000 0.209 439 K C 2.258 179.004 176.600 0.243 0.000 1.048 439 K CA 1.618 58.173 56.287 0.446 0.000 0.927 439 K CB -0.367 32.284 32.500 0.252 0.000 0.712 439 K HN 0.293 nan 8.250 nan 0.000 0.441 440 R N 0.003 120.585 120.500 0.137 0.000 2.159 440 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 440 R C 2.225 178.551 176.300 0.043 0.000 1.131 440 R CA 1.669 57.814 56.100 0.076 0.000 0.982 440 R CB -0.116 30.210 30.300 0.044 0.000 0.868 440 R HN 0.481 nan 8.270 nan 0.000 0.453 441 E N -0.640 119.579 120.200 0.032 0.000 2.122 441 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 441 E C 0.837 177.280 176.600 -0.262 0.000 0.977 441 E CA 0.792 57.103 56.400 -0.148 0.000 0.820 441 E CB 0.219 29.764 29.700 -0.258 0.000 0.770 441 E HN 0.351 nan 8.360 nan 0.000 0.462 442 Y N -0.864 119.502 120.300 0.110 0.000 2.498 442 Y HA 0.218 4.768 4.550 -0.000 0.000 0.259 442 Y C 0.450 176.467 175.900 0.194 0.000 1.086 442 Y CA 0.086 58.276 58.100 0.151 0.000 1.287 442 Y CB 1.039 39.603 38.460 0.175 0.000 1.146 442 Y HN -0.044 nan 8.280 nan 0.000 0.523 443 D N -0.228 120.367 120.400 0.326 0.000 2.945 443 D HA 0.162 4.802 4.640 -0.000 0.000 0.340 443 D C -2.121 174.255 176.300 0.126 0.000 1.240 443 D CA -1.966 52.171 54.000 0.229 0.000 0.749 443 D CB 0.617 41.588 40.800 0.284 0.000 1.217 443 D HN -0.055 nan 8.370 nan 0.000 0.514 444 P HA -0.151 nan 4.420 nan 0.000 0.216 444 P C 0.750 178.065 177.300 0.024 0.000 1.150 444 P CA 1.011 64.140 63.100 0.047 0.000 0.843 444 P CB 0.538 32.253 31.700 0.025 0.000 0.787 445 E N -1.017 119.187 120.200 0.007 0.000 2.476 445 E HA 0.001 4.351 4.350 -0.000 0.000 0.191 445 E C 0.432 177.009 176.600 -0.038 0.000 1.064 445 E CA -0.262 56.127 56.400 -0.019 0.000 0.866 445 E CB -1.235 28.443 29.700 -0.035 0.000 0.952 445 E HN 0.127 nan 8.360 nan 0.000 0.492 446 N N 1.735 120.421 118.700 -0.023 0.000 2.705 446 N HA -0.215 4.525 4.740 -0.000 0.000 0.255 446 N C 0.448 175.893 175.510 -0.109 0.000 1.008 446 N CA 0.244 53.269 53.050 -0.042 0.000 0.742 446 N CB -0.413 38.052 38.487 -0.035 0.000 0.906 446 N HN 0.014 nan 8.380 nan 0.000 0.541 447 R N -0.520 119.863 120.500 -0.195 0.000 2.235 447 R HA 0.047 4.387 4.340 -0.000 0.000 0.213 447 R C 0.154 176.179 176.300 -0.459 0.000 1.059 447 R CA 0.766 56.652 56.100 -0.356 0.000 0.997 447 R CB -0.144 29.860 30.300 -0.493 0.000 0.884 447 R HN 0.349 nan 8.270 nan 0.000 0.462 448 F N 1.602 121.502 119.950 -0.083 0.000 2.318 448 F HA 0.287 4.814 4.527 0.000 0.000 0.356 448 F C 1.194 176.883 175.800 -0.186 0.000 1.109 448 F CA -0.772 57.155 58.000 -0.120 0.000 1.234 448 F CB 0.481 39.395 39.000 -0.142 0.000 1.545 448 F HN -0.064 nan 8.300 nan 0.000 0.534 449 R N -1.083 119.362 120.500 -0.092 0.000 2.543 449 R HA 0.251 4.591 4.340 -0.000 0.000 0.323 449 R C -0.580 175.542 176.300 -0.297 0.000 1.002 449 R CA -0.203 55.782 56.100 -0.192 0.000 1.106 449 R CB -0.430 29.750 30.300 -0.199 0.000 1.280 449 R HN 0.411 nan 8.270 nan 0.000 0.549 450 H N 1.577 120.582 119.070 -0.108 0.000 2.508 450 H HA 0.270 4.826 4.556 -0.000 0.000 0.224 450 H C -0.843 174.080 175.328 -0.675 0.000 1.723 450 H CA -0.479 55.474 56.048 -0.157 0.000 1.251 450 H CB 0.142 29.917 29.762 0.022 0.000 1.627 450 H HN 0.519 nan 8.280 nan 0.000 0.543 451 N N -1.402 116.734 118.700 -0.940 0.000 3.378 451 N HA 0.034 4.774 4.740 -0.000 0.000 0.294 451 N C -1.652 173.405 175.510 -0.755 0.000 1.544 451 N CA -0.978 51.280 53.050 -1.320 0.000 0.872 451 N CB 0.468 38.544 38.487 -0.685 0.000 1.670 451 N HN -0.093 nan 8.380 nan 0.000 0.551 452 Y N 0.537 120.637 120.300 -0.334 0.000 2.517 452 Y HA 0.213 4.763 4.550 -0.000 0.000 0.341 452 Y C 1.041 176.923 175.900 -0.030 0.000 1.247 452 Y CA -0.937 57.153 58.100 -0.017 0.000 1.774 452 Y CB -1.517 37.024 38.460 0.134 0.000 1.641 452 Y HN 0.469 nan 8.280 nan 0.000 0.457 453 N N 2.834 121.566 118.700 0.053 0.000 2.407 453 N HA 0.033 4.773 4.740 -0.000 0.000 0.250 453 N C -0.872 174.667 175.510 0.048 0.000 1.236 453 N CA -0.041 52.999 53.050 -0.016 0.000 0.879 453 N CB 0.509 38.983 38.487 -0.023 0.000 1.088 453 N HN 0.276 nan 8.380 nan 0.000 0.450 454 I N 2.480 123.004 120.570 -0.077 0.000 2.389 454 I HA 0.122 4.292 4.170 -0.000 0.000 0.288 454 I C -0.153 175.932 176.117 -0.054 0.000 0.999 454 I CA -0.571 60.644 61.300 -0.143 0.000 1.129 454 I CB 1.317 39.109 38.000 -0.347 0.000 1.288 454 I HN 0.529 nan 8.210 nan 0.000 0.444 455 D N 9.251 129.701 120.400 0.083 0.000 2.277 455 D HA 0.234 4.874 4.640 -0.000 0.000 0.249 455 D C -1.687 174.652 176.300 0.064 0.000 1.134 455 D CA -1.678 52.373 54.000 0.085 0.000 0.863 455 D CB 2.241 43.126 40.800 0.142 0.000 1.143 455 D HN 0.258 nan 8.370 nan 0.000 0.458 456 P HA -0.053 nan 4.420 nan 0.000 0.244 456 P C -0.372 176.965 177.300 0.061 0.000 1.211 456 P CA 0.285 63.414 63.100 0.049 0.000 0.760 456 P CB 0.114 31.844 31.700 0.049 0.000 0.961 457 E N 0.000 120.247 120.200 0.079 0.000 2.725 457 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 457 E CA 0.000 56.447 56.400 0.079 0.000 0.976 457 E CB 0.000 29.758 29.700 0.096 0.000 0.812 457 E HN 0.000 nan 8.360 nan 0.000 0.440