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 2x3j_1_B DATA FIRST_RESID 4 DATA SEQUENCE RNHDVLSRMI SEKAALHGLL NCLIKEFAIP EGYLRYEWPD EMKGIPPGAY DATA SEQUENCE FDGADWKGIP MMIGLPDQLQ LFVMVDRRDT FGSQHYLSDV YLRQAQGDWQ DATA SEQUENCE CPDFEPLVAR LLAACEHIAG RKNPELYEQI LQSQRLVSAI VSHNGRQRAD DATA SEQUENCE APLQHYLQSE QGLWFGHPSH PAPKARLWPX HLGQEQWAPE FQARAALHQF DATA SEQUENCE EVPVDGLHIG ANGLTPQQVL DGFADQQPAS PGHAIICMHP VQAQLFMQDA DATA SEQUENCE RVQQLLRDNV IRDLGQSGRV ASPTASIRTW FIDDHDYFIK GSLNVRITNC DATA SEQUENCE VRKNAWYELE STVLIDRLFR QLLDQHADTL GGLVAAAEPG VVSWSPAAAG DATA SEQUENCE ELDSHWFREQ TGGILRENFC RRTGAERSIM AGTLFARGVD LQPMIQTFLR DATA SEQUENCE THYGEALDDN ALLYWFDDYQ TRLLRPVLSL FFNHGVVMEP HLQNSVLVHQ DATA SEQUENCE QGRPQQVLLR DFEGVKLTDD LGIRYIDDDI HPRVRQSLLY SREQGWNRIM DATA SEQUENCE YCLFINHLSE TILALSQGRP QLAPLMWRRV QQQLRAIQGE LKQPSPELDA DATA SEQUENCE LIAGHPVACK TNLKVRLAAX XXXXASYVRL PSPW 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.298 176.300 -0.004 0.000 0.893 4 R CA 0.000 56.100 56.100 -0.000 0.000 0.921 4 R CB 0.000 30.300 30.300 0.001 0.000 0.687 5 N N 0.268 118.966 118.700 -0.004 0.000 2.381 5 N HA 0.371 5.103 4.740 -0.013 0.000 0.241 5 N C 1.276 176.778 175.510 -0.012 0.000 1.279 5 N CA 1.120 54.166 53.050 -0.007 0.000 0.896 5 N CB -0.234 38.251 38.487 -0.004 0.000 1.118 5 N HN 1.400 nan 8.380 nan 0.000 0.438 6 H N -1.163 117.898 119.070 -0.017 0.000 2.491 6 H HA -0.042 4.506 4.556 -0.013 0.000 0.290 6 H C 1.506 176.820 175.328 -0.024 0.000 1.050 6 H CA 1.788 57.821 56.048 -0.025 0.000 1.309 6 H CB -0.260 29.482 29.762 -0.033 0.000 1.392 6 H HN 0.813 nan 8.280 nan 0.000 0.554 7 D N -0.042 120.349 120.400 -0.014 0.000 2.097 7 D HA -0.110 4.523 4.640 -0.013 0.000 0.197 7 D C 2.385 178.678 176.300 -0.012 0.000 0.984 7 D CA 1.561 55.556 54.000 -0.009 0.000 0.826 7 D CB -0.229 40.571 40.800 -0.000 0.000 0.973 7 D HN 0.470 nan 8.370 nan 0.000 0.460 8 V N 0.703 120.611 119.914 -0.010 0.000 2.358 8 V HA -0.168 3.944 4.120 -0.013 0.000 0.246 8 V C 2.422 178.505 176.094 -0.018 0.000 1.047 8 V CA 0.877 63.171 62.300 -0.011 0.000 1.035 8 V CB -0.457 31.364 31.823 -0.004 0.000 0.658 8 V HN 0.122 nan 8.190 nan 0.000 0.452 9 L N 0.337 121.549 121.223 -0.019 0.000 2.012 9 L HA -0.149 4.183 4.340 -0.013 0.000 0.210 9 L C 2.603 179.455 176.870 -0.030 0.000 1.073 9 L CA 2.150 56.977 54.840 -0.023 0.000 0.748 9 L CB -0.688 41.357 42.059 -0.023 0.000 0.891 9 L HN 0.279 nan 8.230 nan 0.000 0.431 10 S N -0.742 114.938 115.700 -0.033 0.000 2.370 10 S HA -0.249 4.213 4.470 -0.013 0.000 0.226 10 S C 2.056 176.634 174.600 -0.037 0.000 1.033 10 S CA 1.543 59.721 58.200 -0.037 0.000 1.011 10 S CB -0.428 62.748 63.200 -0.041 0.000 0.852 10 S HN 0.446 nan 8.310 nan 0.000 0.457 11 R N 0.861 121.337 120.500 -0.041 0.000 2.083 11 R HA -0.044 4.288 4.340 -0.013 0.000 0.237 11 R C 2.340 178.580 176.300 -0.099 0.000 1.137 11 R CA 1.603 57.664 56.100 -0.065 0.000 0.951 11 R CB -0.303 29.968 30.300 -0.049 0.000 0.851 11 R HN 0.373 nan 8.270 nan 0.000 0.434 12 M N 0.170 119.728 119.600 -0.071 0.000 2.159 12 M HA -0.155 4.317 4.480 -0.013 0.000 0.263 12 M C 2.248 178.492 176.300 -0.094 0.000 1.063 12 M CA 1.550 56.803 55.300 -0.078 0.000 1.110 12 M CB -0.198 32.377 32.600 -0.042 0.000 1.374 12 M HN 0.225 nan 8.290 nan 0.000 0.411 13 I N -0.013 120.520 120.570 -0.062 0.000 2.179 13 I HA -0.298 3.864 4.170 -0.013 0.000 0.242 13 I C 2.726 178.811 176.117 -0.054 0.000 1.088 13 I CA 1.708 62.981 61.300 -0.046 0.000 1.357 13 I CB -0.580 37.431 38.000 0.018 0.000 1.051 13 I HN 0.383 nan 8.210 nan 0.000 0.409 14 S N 0.479 116.157 115.700 -0.036 0.000 2.368 14 S HA -0.196 4.266 4.470 -0.013 0.000 0.224 14 S C 1.799 176.267 174.600 -0.220 0.000 1.029 14 S CA 1.150 59.330 58.200 -0.033 0.000 0.988 14 S CB -0.514 62.663 63.200 -0.039 0.000 0.838 14 S HN 0.485 nan 8.310 nan 0.000 0.462 15 E N 1.346 121.321 120.200 -0.376 0.000 2.077 15 E HA -0.129 4.213 4.350 -0.013 0.000 0.193 15 E C 2.189 178.602 176.600 -0.312 0.000 0.989 15 E CA 1.141 57.147 56.400 -0.657 0.000 0.800 15 E CB -0.159 29.185 29.700 -0.593 0.000 0.746 15 E HN 0.612 nan 8.360 nan 0.000 0.452 16 K N 0.654 120.904 120.400 -0.251 0.000 2.026 16 K HA -0.141 4.171 4.320 -0.013 0.000 0.208 16 K C 2.161 178.475 176.600 -0.478 0.000 1.048 16 K CA 1.120 57.198 56.287 -0.348 0.000 0.929 16 K CB -0.098 32.195 32.500 -0.346 0.000 0.713 16 K HN 0.073 nan 8.250 nan 0.000 0.439 17 A N 1.093 123.697 122.820 -0.360 0.000 1.865 17 A HA -0.160 4.152 4.320 -0.013 0.000 0.217 17 A C 2.336 179.885 177.584 -0.058 0.000 1.191 17 A CA 2.091 53.940 52.037 -0.314 0.000 0.623 17 A CB -0.967 17.785 19.000 -0.414 0.000 0.826 17 A HN 0.476 nan 8.150 nan 0.000 0.444 18 A N -0.488 122.331 122.820 -0.002 0.000 1.877 18 A HA -0.045 4.267 4.320 -0.013 0.000 0.216 18 A C 2.171 179.890 177.584 0.225 0.000 1.186 18 A CA 1.859 53.984 52.037 0.146 0.000 0.620 18 A CB -0.698 18.393 19.000 0.152 0.000 0.822 18 A HN 0.891 nan 8.150 nan 0.000 0.443 19 L N -0.391 120.982 121.223 0.250 0.000 2.017 19 L HA -0.171 4.161 4.340 -0.013 0.000 0.208 19 L C 2.207 179.171 176.870 0.158 0.000 1.073 19 L CA 2.462 57.438 54.840 0.227 0.000 0.745 19 L CB -1.181 41.016 42.059 0.230 0.000 0.894 19 L HN 0.581 nan 8.230 nan 0.000 0.432 20 H N -0.942 118.126 119.070 -0.004 0.000 2.352 20 H HA -0.130 4.414 4.556 -0.021 0.000 0.299 20 H C 2.052 177.440 175.328 0.100 0.000 1.097 20 H CA 0.702 56.748 56.048 -0.004 0.000 1.311 20 H CB -0.246 29.607 29.762 0.151 0.000 1.377 20 H HN 0.572 nan 8.280 nan 0.000 0.504 21 G N 0.822 109.769 108.800 0.245 0.000 2.418 21 G HA2 -0.242 3.710 3.960 -0.013 0.000 0.217 21 G HA3 -0.242 3.710 3.960 -0.013 0.000 0.217 21 G C 1.686 176.686 174.900 0.165 0.000 1.158 21 G CA 0.613 45.842 45.100 0.215 0.000 0.771 21 G HN 0.200 nan 8.290 nan 0.000 0.545 22 L N 0.395 121.696 121.223 0.130 0.000 2.056 22 L HA 0.159 4.491 4.340 -0.013 0.000 0.207 22 L C 2.759 179.668 176.870 0.064 0.000 1.078 22 L CA 1.154 56.044 54.840 0.083 0.000 0.749 22 L CB -0.368 41.727 42.059 0.060 0.000 0.901 22 L HN 0.188 nan 8.230 nan 0.000 0.433 23 L N -0.613 120.621 121.223 0.018 0.000 2.042 23 L HA -0.269 4.063 4.340 -0.013 0.000 0.210 23 L C 2.306 179.239 176.870 0.106 0.000 1.076 23 L CA 1.308 56.132 54.840 -0.028 0.000 0.749 23 L CB -0.825 41.027 42.059 -0.346 0.000 0.893 23 L HN 0.361 nan 8.230 nan 0.000 0.432 24 N N -0.322 118.486 118.700 0.179 0.000 2.061 24 N HA -0.193 4.539 4.740 -0.013 0.000 0.193 24 N C 1.852 177.454 175.510 0.153 0.000 1.030 24 N CA 1.780 54.955 53.050 0.209 0.000 0.856 24 N CB -0.683 37.935 38.487 0.217 0.000 1.023 24 N HN 0.355 nan 8.380 nan 0.000 0.424 25 C N -0.019 119.357 119.300 0.127 0.000 2.453 25 C HA 0.007 4.459 4.460 -0.013 0.000 0.277 25 C C 2.705 177.793 174.990 0.165 0.000 1.262 25 C CA -0.050 59.028 59.018 0.100 0.000 1.718 25 C CB -1.259 26.521 27.740 0.067 0.000 2.031 25 C HN 0.443 nan 8.230 nan 0.000 0.480 26 L N 1.107 122.447 121.223 0.196 0.000 2.013 26 L HA -0.155 4.177 4.340 -0.013 0.000 0.212 26 L C 2.197 179.216 176.870 0.248 0.000 1.073 26 L CA 2.049 57.049 54.840 0.266 0.000 0.753 26 L CB -0.587 41.551 42.059 0.132 0.000 0.890 26 L HN 0.332 nan 8.230 nan 0.000 0.432 27 I N -0.985 119.684 120.570 0.166 0.000 2.286 27 I HA -0.266 3.896 4.170 -0.013 0.000 0.245 27 I C 2.411 178.592 176.117 0.106 0.000 1.104 27 I CA 1.340 62.721 61.300 0.135 0.000 1.397 27 I CB -0.304 37.780 38.000 0.139 0.000 1.072 27 I HN 0.210 nan 8.210 nan 0.000 0.417 28 K N 0.586 121.043 120.400 0.095 0.000 2.031 28 K HA -0.117 4.195 4.320 -0.013 0.000 0.205 28 K C 1.918 178.498 176.600 -0.033 0.000 1.049 28 K CA 1.306 57.624 56.287 0.051 0.000 0.939 28 K CB -0.058 32.480 32.500 0.064 0.000 0.717 28 K HN 0.332 nan 8.250 nan 0.000 0.438 29 E N -0.991 119.153 120.200 -0.093 0.000 2.318 29 E HA 0.000 4.342 4.350 -0.013 0.000 0.193 29 E C 1.053 177.311 176.600 -0.569 0.000 0.998 29 E CA 0.694 56.874 56.400 -0.368 0.000 0.859 29 E CB 0.279 29.669 29.700 -0.516 0.000 0.812 29 E HN 0.213 nan 8.360 nan 0.000 0.492 30 F N -0.378 119.573 119.950 0.002 0.000 2.268 30 F HA 0.287 4.805 4.527 -0.014 0.000 0.262 30 F C 2.199 177.970 175.800 -0.049 0.000 0.910 30 F CA 0.220 58.225 58.000 0.009 0.000 1.142 30 F CB -0.385 38.675 39.000 0.099 0.000 1.229 30 F HN -0.095 nan 8.300 nan 0.000 0.781 31 A N 0.817 123.781 122.820 0.239 0.000 1.883 31 A HA -0.126 4.186 4.320 -0.013 0.000 0.217 31 A C 2.081 179.652 177.584 -0.021 0.000 1.186 31 A CA 1.873 53.995 52.037 0.141 0.000 0.624 31 A CB -1.096 17.991 19.000 0.145 0.000 0.822 31 A HN 0.399 nan 8.150 nan 0.000 0.444 32 I N 0.134 120.698 120.570 -0.011 0.000 2.193 32 I HA -0.107 4.055 4.170 -0.013 0.000 0.240 32 I C -0.351 175.718 176.117 -0.080 0.000 1.084 32 I CA 1.224 62.503 61.300 -0.035 0.000 1.365 32 I CB -1.022 36.984 38.000 0.010 0.000 1.064 32 I HN 0.268 nan 8.210 nan 0.000 0.410 33 P HA -0.122 nan 4.420 nan 0.000 0.223 33 P C 0.770 177.971 177.300 -0.165 0.000 1.151 33 P CA 1.403 64.440 63.100 -0.105 0.000 0.787 33 P CB -0.055 31.584 31.700 -0.101 0.000 0.788 34 E N -0.793 119.235 120.200 -0.286 0.000 2.476 34 E HA 0.240 4.582 4.350 -0.013 0.000 0.196 34 E C 0.833 177.075 176.600 -0.597 0.000 1.029 34 E CA 0.116 56.216 56.400 -0.499 0.000 0.896 34 E CB -0.220 29.007 29.700 -0.788 0.000 1.012 34 E HN 0.157 nan 8.360 nan 0.000 0.475 35 G N 1.648 110.252 108.800 -0.327 0.000 2.249 35 G HA2 -0.291 3.661 3.960 -0.013 0.000 0.273 35 G HA3 -0.291 3.661 3.960 -0.013 0.000 0.273 35 G C 0.218 175.092 174.900 -0.043 0.000 1.036 35 G CA 0.386 45.392 45.100 -0.157 0.000 0.824 35 G HN 0.296 nan 8.290 nan 0.000 0.504 36 Y N -1.291 119.007 120.300 -0.004 0.000 2.490 36 Y HA 0.434 4.975 4.550 -0.014 0.000 0.281 36 Y C 1.681 177.553 175.900 -0.048 0.000 1.174 36 Y CA -0.644 57.447 58.100 -0.015 0.000 1.295 36 Y CB 0.108 38.568 38.460 0.001 0.000 1.062 36 Y HN 0.421 nan 8.280 nan 0.000 0.522 37 L N 1.090 122.337 121.223 0.039 0.000 2.295 37 L HA 0.517 4.849 4.340 -0.013 0.000 0.285 37 L C -0.452 176.308 176.870 -0.183 0.000 1.035 37 L CA -0.409 54.371 54.840 -0.101 0.000 0.806 37 L CB 0.845 42.801 42.059 -0.171 0.000 1.214 37 L HN -0.053 nan 8.230 nan 0.000 0.426 38 R N 3.458 123.817 120.500 -0.235 0.000 2.575 38 R HA 0.330 4.662 4.340 -0.013 0.000 0.293 38 R C -1.610 174.482 176.300 -0.346 0.000 0.983 38 R CA -0.603 55.364 56.100 -0.223 0.000 0.887 38 R CB 1.591 31.850 30.300 -0.069 0.000 1.184 38 R HN 0.434 nan 8.270 nan 0.000 0.445 39 Y N 1.978 122.236 120.300 -0.070 0.000 2.636 39 Y HA 0.248 4.789 4.550 -0.015 0.000 0.334 39 Y C 0.052 175.857 175.900 -0.159 0.000 1.286 39 Y CA -0.019 58.000 58.100 -0.135 0.000 1.688 39 Y CB 0.242 38.629 38.460 -0.122 0.000 1.662 39 Y HN 0.328 nan 8.280 nan 0.000 0.465 40 E N 0.222 120.368 120.200 -0.091 0.000 2.390 40 E HA 0.219 4.561 4.350 -0.013 0.000 0.277 40 E C -1.455 175.062 176.600 -0.138 0.000 0.939 40 E CA -1.084 55.264 56.400 -0.087 0.000 0.769 40 E CB 1.743 31.454 29.700 0.018 0.000 1.251 40 E HN 0.369 nan 8.360 nan 0.000 0.450 41 W N 2.053 123.339 121.300 -0.024 0.000 2.218 41 W HA 0.265 4.911 4.660 -0.023 0.000 0.326 41 W C -1.998 174.486 176.519 -0.058 0.000 1.276 41 W CA -1.384 55.910 57.345 -0.086 0.000 1.210 41 W CB 0.189 29.527 29.460 -0.203 0.000 1.143 41 W HN 0.233 nan 8.180 nan 0.000 0.563 42 P HA -0.040 nan 4.420 nan 0.000 0.271 42 P C 0.469 177.830 177.300 0.101 0.000 1.216 42 P CA 0.174 63.370 63.100 0.160 0.000 0.771 42 P CB 0.819 32.639 31.700 0.199 0.000 0.864 43 D N 0.797 121.255 120.400 0.097 0.000 2.190 43 D HA -0.173 4.459 4.640 -0.013 0.000 0.200 43 D C 0.555 176.870 176.300 0.025 0.000 0.992 43 D CA 1.770 55.798 54.000 0.046 0.000 0.854 43 D CB 0.134 40.958 40.800 0.039 0.000 0.936 43 D HN 0.433 nan 8.370 nan 0.000 0.462 44 E N -0.291 119.952 120.200 0.073 0.000 2.191 44 E HA 0.182 4.524 4.350 -0.013 0.000 0.263 44 E C 0.166 176.865 176.600 0.164 0.000 0.881 44 E CA -0.255 56.187 56.400 0.071 0.000 0.757 44 E CB 0.986 30.714 29.700 0.047 0.000 1.147 44 E HN -0.238 nan 8.360 nan 0.000 0.414 45 M N 2.560 122.176 119.600 0.026 0.000 2.371 45 M HA 0.174 4.646 4.480 -0.013 0.000 0.246 45 M C 0.400 176.730 176.300 0.051 0.000 1.103 45 M CA -0.068 55.171 55.300 -0.102 0.000 1.010 45 M CB -0.415 31.988 32.600 -0.329 0.000 1.457 45 M HN 0.388 nan 8.290 nan 0.000 0.486 46 K N 1.363 121.837 120.400 0.123 0.000 2.473 46 K HA 0.104 4.416 4.320 -0.013 0.000 0.277 46 K C 1.122 177.830 176.600 0.179 0.000 1.052 46 K CA 1.357 57.708 56.287 0.106 0.000 1.114 46 K CB 0.159 32.698 32.500 0.064 0.000 0.869 46 K HN 0.498 nan 8.250 nan 0.000 0.481 47 G N 3.813 112.692 108.800 0.133 0.000 2.284 47 G HA2 -0.241 3.711 3.960 -0.013 0.000 0.216 47 G HA3 -0.241 3.711 3.960 -0.013 0.000 0.216 47 G C 0.142 175.120 174.900 0.130 0.000 1.009 47 G CA -0.058 45.152 45.100 0.184 0.000 0.625 47 G HN 0.595 nan 8.290 nan 0.000 0.501 48 I N 4.613 125.138 120.570 -0.076 0.000 2.337 48 I HA 0.316 4.478 4.170 -0.013 0.000 0.291 48 I C -1.457 174.614 176.117 -0.076 0.000 1.046 48 I CA -1.923 59.127 61.300 -0.416 0.000 1.324 48 I CB 1.109 38.597 38.000 -0.853 0.000 1.409 48 I HN 0.019 nan 8.210 nan 0.000 0.494 49 P HA 0.196 nan 4.420 nan 0.000 0.274 49 P C -2.307 175.061 177.300 0.114 0.000 1.231 49 P CA -1.477 61.684 63.100 0.103 0.000 0.790 49 P CB 0.403 32.185 31.700 0.137 0.000 0.951 50 P HA -0.155 nan 4.420 nan 0.000 0.216 50 P C 1.670 178.853 177.300 -0.195 0.000 1.153 50 P CA 1.958 64.952 63.100 -0.175 0.000 0.858 50 P CB -0.569 31.113 31.700 -0.029 0.000 0.789 51 G N -0.346 108.460 108.800 0.011 0.000 2.535 51 G HA2 -0.177 3.775 3.960 -0.013 0.000 0.218 51 G HA3 -0.177 3.775 3.960 -0.013 0.000 0.218 51 G C 1.568 176.526 174.900 0.097 0.000 1.122 51 G CA 0.748 45.877 45.100 0.048 0.000 0.769 51 G HN 0.356 nan 8.290 nan 0.000 0.549 52 A N 0.375 123.289 122.820 0.158 0.000 1.969 52 A HA 0.118 4.430 4.320 -0.013 0.000 0.218 52 A C 1.938 179.769 177.584 0.412 0.000 1.169 52 A CA 1.545 53.766 52.037 0.307 0.000 0.635 52 A CB -0.354 18.845 19.000 0.332 0.000 0.810 52 A HN 0.834 nan 8.150 nan 0.000 0.445 53 Y N -5.263 115.238 120.300 0.333 0.000 2.563 53 Y HA 0.641 5.186 4.550 -0.008 0.000 0.250 53 Y C -0.019 176.261 175.900 0.634 0.000 1.126 53 Y CA -1.393 56.993 58.100 0.476 0.000 1.231 53 Y CB 0.143 38.956 38.460 0.590 0.000 1.288 53 Y HN 0.084 nan 8.280 nan 0.000 0.537 54 F N 3.322 123.260 119.950 -0.019 0.000 2.557 54 F HA 0.418 4.956 4.527 0.018 0.000 0.316 54 F C -0.234 175.549 175.800 -0.028 0.000 1.141 54 F CA -1.583 56.433 58.000 0.025 0.000 0.922 54 F CB 1.579 40.492 39.000 -0.146 0.000 1.194 54 F HN 0.059 nan 8.300 nan 0.000 0.443 55 D N 2.249 122.252 120.400 -0.662 0.000 2.360 55 D HA 0.321 4.953 4.640 -0.013 0.000 0.210 55 D C 1.478 177.308 176.300 -0.784 0.000 1.047 55 D CA 0.811 54.482 54.000 -0.548 0.000 0.854 55 D CB 0.685 41.328 40.800 -0.263 0.000 0.936 55 D HN 0.959 nan 8.370 nan 0.000 0.514 56 G N -0.601 107.244 108.800 -1.591 0.000 2.428 56 G HA2 -0.101 3.851 3.960 -0.013 0.000 0.199 56 G HA3 -0.101 3.851 3.960 -0.013 0.000 0.199 56 G C 1.018 175.614 174.900 -0.507 0.000 1.005 56 G CA 0.131 44.685 45.100 -0.909 0.000 0.671 56 G HN 0.767 nan 8.290 nan 0.000 0.485 57 A N -1.177 121.354 122.820 -0.482 0.000 1.977 57 A HA 0.604 4.916 4.320 -0.013 0.000 0.197 57 A C 0.474 177.950 177.584 -0.181 0.000 1.554 57 A CA 1.647 53.566 52.037 -0.198 0.000 1.037 57 A CB 0.730 19.638 19.000 -0.154 0.000 1.083 57 A HN 0.399 nan 8.150 nan 0.000 0.471 58 D N -2.802 117.443 120.400 -0.259 0.000 2.626 58 D HA 0.385 5.018 4.640 -0.013 0.000 0.278 58 D C -1.398 174.845 176.300 -0.096 0.000 1.211 58 D CA -0.644 53.205 54.000 -0.251 0.000 0.903 58 D CB 0.836 41.557 40.800 -0.130 0.000 1.408 58 D HN 0.246 nan 8.370 nan 0.000 0.454 59 W N 1.113 122.576 121.300 0.272 0.000 2.158 59 W HA 0.248 4.895 4.660 -0.022 0.000 0.339 59 W C 0.992 177.659 176.519 0.247 0.000 1.294 59 W CA -0.591 56.979 57.345 0.375 0.000 1.231 59 W CB 0.480 30.264 29.460 0.541 0.000 1.143 59 W HN -0.026 nan 8.180 nan 0.000 0.571 60 K N 3.630 124.346 120.400 0.526 0.000 2.480 60 K HA 0.300 4.612 4.320 -0.013 0.000 0.241 60 K C 0.740 177.488 176.600 0.247 0.000 1.261 60 K CA 0.349 56.813 56.287 0.296 0.000 1.193 60 K CB -0.410 32.240 32.500 0.250 0.000 1.598 60 K HN 0.799 nan 8.250 nan 0.000 0.278 61 G N 1.458 110.397 108.800 0.232 0.000 2.503 61 G HA2 -0.264 3.688 3.960 -0.013 0.000 0.235 61 G HA3 -0.264 3.688 3.960 -0.013 0.000 0.235 61 G C -0.512 174.455 174.900 0.113 0.000 1.179 61 G CA -0.806 44.374 45.100 0.134 0.000 0.944 61 G HN 0.345 nan 8.290 nan 0.000 0.580 62 I N 3.096 123.645 120.570 -0.034 0.000 2.509 62 I HA 0.440 4.602 4.170 -0.013 0.000 0.293 62 I C -2.099 173.817 176.117 -0.335 0.000 1.020 62 I CA -2.228 58.970 61.300 -0.170 0.000 1.088 62 I CB 2.701 40.608 38.000 -0.154 0.000 1.267 62 I HN 0.339 nan 8.210 nan 0.000 0.430 63 P HA 0.150 nan 4.420 nan 0.000 0.276 63 P C -1.099 175.973 177.300 -0.379 0.000 1.230 63 P CA -0.353 62.299 63.100 -0.746 0.000 0.776 63 P CB 1.138 32.120 31.700 -1.196 0.000 0.888 64 M N 4.407 123.763 119.600 -0.406 0.000 2.253 64 M HA 0.445 4.917 4.480 -0.013 0.000 0.314 64 M C -1.352 174.789 176.300 -0.265 0.000 1.019 64 M CA -0.703 54.434 55.300 -0.271 0.000 0.932 64 M CB 1.223 33.723 32.600 -0.166 0.000 1.606 64 M HN 0.252 nan 8.290 nan 0.000 0.430 65 M N 6.028 125.524 119.600 -0.173 0.000 2.383 65 M HA 0.552 5.024 4.480 -0.013 0.000 0.325 65 M C -1.260 175.022 176.300 -0.030 0.000 1.092 65 M CA -0.557 54.729 55.300 -0.023 0.000 0.961 65 M CB 2.208 34.849 32.600 0.068 0.000 1.672 65 M HN 0.625 nan 8.290 nan 0.000 0.438 66 I N 1.814 122.406 120.570 0.037 0.000 2.410 66 I HA 0.411 4.573 4.170 -0.013 0.000 0.286 66 I C 0.395 176.535 176.117 0.038 0.000 1.009 66 I CA -0.737 60.587 61.300 0.041 0.000 1.111 66 I CB 1.937 39.964 38.000 0.045 0.000 1.262 66 I HN 0.784 nan 8.210 nan 0.000 0.443 67 G N 7.185 115.989 108.800 0.008 0.000 2.356 67 G HA2 0.501 4.453 3.960 -0.013 0.000 0.300 67 G HA3 0.501 4.453 3.960 -0.013 0.000 0.300 67 G C -0.372 174.363 174.900 -0.274 0.000 1.107 67 G CA -0.193 44.854 45.100 -0.088 0.000 0.960 67 G HN 0.232 nan 8.290 nan 0.000 0.418 68 L N 2.950 124.019 121.223 -0.257 0.000 2.397 68 L HA 0.582 4.914 4.340 -0.013 0.000 0.266 68 L C -1.861 174.777 176.870 -0.386 0.000 1.040 68 L CA -2.299 52.328 54.840 -0.355 0.000 0.800 68 L CB 1.176 43.099 42.059 -0.228 0.000 1.324 68 L HN 0.268 nan 8.230 nan 0.000 0.469 69 P HA 0.144 nan 4.420 nan 0.000 0.269 69 P C -0.679 176.393 177.300 -0.381 0.000 1.215 69 P CA 0.089 62.875 63.100 -0.523 0.000 0.780 69 P CB 0.286 31.423 31.700 -0.937 0.000 0.898 70 D N 0.874 121.082 120.400 -0.319 0.000 2.746 70 D HA -0.176 4.456 4.640 -0.013 0.000 0.236 70 D C -0.121 176.084 176.300 -0.159 0.000 1.129 70 D CA 0.909 54.792 54.000 -0.195 0.000 0.691 70 D CB -1.696 39.008 40.800 -0.161 0.000 1.077 70 D HN 0.626 nan 8.370 nan 0.000 0.432 71 Q N -2.763 116.939 119.800 -0.164 0.000 2.494 71 Q HA -0.253 4.079 4.340 -0.013 0.000 0.266 71 Q C 0.030 175.937 176.000 -0.154 0.000 1.053 71 Q CA 0.629 56.345 55.803 -0.145 0.000 1.029 71 Q CB -0.887 27.779 28.738 -0.120 0.000 1.423 71 Q HN 0.496 nan 8.270 nan 0.000 0.516 72 L N 0.983 122.107 121.223 -0.164 0.000 2.305 72 L HA 0.322 4.654 4.340 -0.013 0.000 0.281 72 L C -0.110 176.691 176.870 -0.116 0.000 1.085 72 L CA 0.623 55.377 54.840 -0.143 0.000 0.813 72 L CB 1.287 43.264 42.059 -0.135 0.000 1.157 72 L HN 0.092 nan 8.230 nan 0.000 0.436 73 Q N 4.089 123.837 119.800 -0.087 0.000 2.377 73 Q HA 0.611 4.943 4.340 -0.013 0.000 0.271 73 Q C -1.591 174.551 176.000 0.237 0.000 1.077 73 Q CA -0.764 55.062 55.803 0.038 0.000 0.820 73 Q CB 2.887 31.633 28.738 0.013 0.000 1.347 73 Q HN 0.725 nan 8.270 nan 0.000 0.444 74 L N 2.488 123.904 121.223 0.321 0.000 2.362 74 L HA 0.654 4.986 4.340 -0.013 0.000 0.275 74 L C -1.763 175.325 176.870 0.362 0.000 0.998 74 L CA -0.741 54.310 54.840 0.352 0.000 0.820 74 L CB 1.060 43.207 42.059 0.146 0.000 1.270 74 L HN 0.657 nan 8.230 nan 0.000 0.415 75 F N 5.852 125.870 119.950 0.114 0.000 2.520 75 F HA 0.793 5.309 4.527 -0.018 0.000 0.322 75 F C -1.472 174.299 175.800 -0.048 0.000 1.103 75 F CA -0.488 57.401 58.000 -0.185 0.000 0.926 75 F CB 1.819 40.320 39.000 -0.832 0.000 1.154 75 F HN 0.293 nan 8.300 nan 0.000 0.453 76 V N 7.099 126.497 119.914 -0.860 0.000 3.077 76 V HA 0.433 4.545 4.120 -0.013 0.000 0.299 76 V C -1.310 174.348 176.094 -0.727 0.000 1.276 76 V CA -0.901 61.039 62.300 -0.599 0.000 0.993 76 V CB 2.405 34.126 31.823 -0.170 0.000 1.076 76 V HN 0.768 nan 8.190 nan 0.000 0.434 77 M N 5.464 124.814 119.600 -0.417 0.000 2.277 77 M HA 0.604 5.076 4.480 -0.013 0.000 0.350 77 M C -0.335 175.929 176.300 -0.061 0.000 1.180 77 M CA -0.283 54.873 55.300 -0.240 0.000 1.103 77 M CB 1.099 33.688 32.600 -0.019 0.000 1.577 77 M HN 0.686 nan 8.290 nan 0.000 0.459 78 V N 0.296 120.172 119.914 -0.063 0.000 3.102 78 V HA 0.567 4.679 4.120 -0.013 0.000 0.312 78 V C 0.283 176.352 176.094 -0.040 0.000 1.135 78 V CA -0.809 61.466 62.300 -0.042 0.000 1.022 78 V CB 2.038 33.841 31.823 -0.032 0.000 1.056 78 V HN 0.864 nan 8.190 nan 0.000 0.436 79 D N 0.669 121.045 120.400 -0.041 0.000 2.349 79 D HA 0.068 4.700 4.640 -0.013 0.000 0.215 79 D C 0.556 176.826 176.300 -0.050 0.000 1.016 79 D CA 0.400 54.390 54.000 -0.016 0.000 0.870 79 D CB 0.317 41.135 40.800 0.029 0.000 0.917 79 D HN 0.897 nan 8.370 nan 0.000 0.524 80 R N -1.285 119.156 120.500 -0.099 0.000 2.664 80 R HA 0.479 4.811 4.340 -0.013 0.000 0.266 80 R C -1.290 174.855 176.300 -0.258 0.000 1.046 80 R CA -0.921 55.091 56.100 -0.147 0.000 0.885 80 R CB 1.096 31.341 30.300 -0.093 0.000 1.254 80 R HN -0.260 nan 8.270 nan 0.000 0.465 81 R N 1.158 121.414 120.500 -0.406 0.000 2.340 81 R HA 0.257 4.589 4.340 -0.013 0.000 0.300 81 R C -0.899 175.275 176.300 -0.210 0.000 1.069 81 R CA -0.204 55.547 56.100 -0.581 0.000 0.984 81 R CB 0.794 30.654 30.300 -0.733 0.000 1.003 81 R HN 0.557 nan 8.270 nan 0.000 0.459 82 D N 1.224 121.591 120.400 -0.055 0.000 2.890 82 D HA 0.014 4.646 4.640 -0.013 0.000 0.233 82 D C 0.676 176.975 176.300 -0.003 0.000 1.306 82 D CA -0.205 53.778 54.000 -0.028 0.000 0.929 82 D CB 1.809 42.616 40.800 0.011 0.000 1.512 82 D HN 0.617 nan 8.370 nan 0.000 0.568 83 T N 0.705 115.173 114.554 -0.143 0.000 2.962 83 T HA -0.084 4.258 4.350 -0.013 0.000 0.270 83 T C 1.450 176.148 174.700 -0.004 0.000 1.088 83 T CA 0.727 62.730 62.100 -0.161 0.000 1.127 83 T CB -0.206 68.436 68.868 -0.378 0.000 0.883 83 T HN 0.262 nan 8.240 nan 0.000 0.493 84 F N 1.869 121.772 119.950 -0.078 0.000 2.765 84 F HA 0.475 4.993 4.527 -0.015 0.000 0.302 84 F C 2.074 177.891 175.800 0.028 0.000 1.111 84 F CA -0.948 57.034 58.000 -0.029 0.000 1.359 84 F CB -0.717 38.282 39.000 -0.003 0.000 1.097 84 F HN 0.433 nan 8.300 nan 0.000 0.577 85 G N 0.370 109.288 108.800 0.197 0.000 2.147 85 G HA2 -0.253 3.699 3.960 -0.013 0.000 0.244 85 G HA3 -0.253 3.699 3.960 -0.013 0.000 0.244 85 G C 0.140 175.102 174.900 0.104 0.000 1.005 85 G CA 0.298 45.484 45.100 0.144 0.000 0.713 85 G HN 0.246 nan 8.290 nan 0.000 0.515 86 S N 1.545 117.301 115.700 0.094 0.000 2.423 86 S HA 0.622 5.084 4.470 -0.013 0.000 0.317 86 S C 0.083 174.604 174.600 -0.131 0.000 1.065 86 S CA -0.350 57.850 58.200 -0.000 0.000 1.111 86 S CB 1.304 64.555 63.200 0.086 0.000 0.968 86 S HN 0.783 nan 8.310 nan 0.000 0.474 87 Q N 2.094 121.704 119.800 -0.317 0.000 2.462 87 Q HA 0.418 4.750 4.340 -0.013 0.000 0.285 87 Q C -1.576 173.975 176.000 -0.748 0.000 1.035 87 Q CA -0.859 54.688 55.803 -0.427 0.000 0.799 87 Q CB 0.723 29.278 28.738 -0.305 0.000 1.452 87 Q HN 0.601 nan 8.270 nan 0.000 0.404 88 H N 0.417 119.245 119.070 -0.403 0.000 2.527 88 H HA 0.402 4.956 4.556 -0.003 0.000 0.321 88 H C -0.922 174.123 175.328 -0.472 0.000 1.087 88 H CA -0.086 55.719 56.048 -0.405 0.000 1.337 88 H CB 0.576 30.237 29.762 -0.168 0.000 1.440 88 H HN 0.370 nan 8.280 nan 0.000 0.490 89 Y N 2.804 123.039 120.300 -0.109 0.000 2.336 89 Y HA 0.094 4.633 4.550 -0.019 0.000 0.335 89 Y C 0.810 176.712 175.900 0.003 0.000 1.046 89 Y CA -0.420 57.590 58.100 -0.151 0.000 1.198 89 Y CB 0.588 38.791 38.460 -0.427 0.000 1.182 89 Y HN 0.566 nan 8.280 nan 0.000 0.502 90 L N 2.296 123.613 121.223 0.156 0.000 2.693 90 L HA 0.214 4.546 4.340 -0.013 0.000 0.235 90 L C 0.277 177.251 176.870 0.175 0.000 1.127 90 L CA 0.048 54.973 54.840 0.142 0.000 0.914 90 L CB 0.011 42.132 42.059 0.103 0.000 1.193 90 L HN 0.667 nan 8.230 nan 0.000 0.502 91 S N -3.043 112.775 115.700 0.197 0.000 2.638 91 S HA 0.429 4.891 4.470 -0.013 0.000 0.274 91 S C -0.933 173.814 174.600 0.245 0.000 1.157 91 S CA -1.048 57.295 58.200 0.240 0.000 0.826 91 S CB 2.072 65.444 63.200 0.286 0.000 1.139 91 S HN -0.108 nan 8.310 nan 0.000 0.474 92 D N 0.738 121.302 120.400 0.272 0.000 2.390 92 D HA 0.262 4.894 4.640 -0.013 0.000 0.236 92 D C -0.077 176.343 176.300 0.200 0.000 1.189 92 D CA 0.055 54.168 54.000 0.188 0.000 0.887 92 D CB 0.540 41.406 40.800 0.110 0.000 1.198 92 D HN 0.395 nan 8.370 nan 0.000 0.444 93 V N 1.931 121.876 119.914 0.053 0.000 2.498 93 V HA 0.123 4.235 4.120 -0.013 0.000 0.279 93 V C -0.434 175.653 176.094 -0.011 0.000 1.048 93 V CA -0.232 62.111 62.300 0.072 0.000 0.967 93 V CB 0.142 31.972 31.823 0.011 0.000 0.988 93 V HN 0.339 nan 8.190 nan 0.000 0.473 94 Y N 4.818 125.251 120.300 0.222 0.000 2.377 94 Y HA 0.649 5.187 4.550 -0.019 0.000 0.339 94 Y C 0.089 176.266 175.900 0.462 0.000 1.011 94 Y CA -0.629 57.660 58.100 0.316 0.000 1.093 94 Y CB 1.680 40.300 38.460 0.265 0.000 1.201 94 Y HN 0.394 nan 8.280 nan 0.000 0.455 95 L N 3.879 125.407 121.223 0.509 0.000 2.342 95 L HA 0.696 5.028 4.340 -0.013 0.000 0.271 95 L C -0.555 176.445 176.870 0.218 0.000 1.008 95 L CA -1.003 54.064 54.840 0.378 0.000 0.818 95 L CB 2.356 44.502 42.059 0.146 0.000 1.296 95 L HN 0.558 nan 8.230 nan 0.000 0.427 96 R N 2.046 122.464 120.500 -0.138 0.000 2.564 96 R HA 0.431 4.763 4.340 -0.013 0.000 0.284 96 R C -1.475 174.627 176.300 -0.330 0.000 1.031 96 R CA -0.525 55.290 56.100 -0.474 0.000 0.904 96 R CB 2.359 31.839 30.300 -1.366 0.000 1.199 96 R HN 0.672 nan 8.270 nan 0.000 0.443 97 Q N 2.941 122.597 119.800 -0.240 0.000 2.365 97 Q HA 0.633 4.965 4.340 -0.013 0.000 0.269 97 Q C -0.129 175.765 176.000 -0.176 0.000 1.061 97 Q CA 0.413 56.108 55.803 -0.181 0.000 0.816 97 Q CB 2.052 30.715 28.738 -0.124 0.000 1.325 97 Q HN 0.879 nan 8.270 nan 0.000 0.446 98 A N 2.501 125.229 122.820 -0.153 0.000 5.308 98 A HA -0.320 3.992 4.320 -0.013 0.000 0.321 98 A C -0.343 177.162 177.584 -0.132 0.000 1.849 98 A CA 1.703 53.665 52.037 -0.125 0.000 0.713 98 A CB -1.240 17.702 19.000 -0.097 0.000 1.360 98 A HN 0.693 nan 8.150 nan 0.000 0.384 99 Q N 0.902 120.637 119.800 -0.107 0.000 2.901 99 Q HA 0.548 4.881 4.340 -0.013 0.000 0.265 99 Q C 0.178 176.114 176.000 -0.106 0.000 1.263 99 Q CA 0.946 56.688 55.803 -0.101 0.000 1.088 99 Q CB 0.732 29.427 28.738 -0.072 0.000 1.339 99 Q HN 1.188 nan 8.270 nan 0.000 0.546 100 G N -0.032 108.679 108.800 -0.148 0.000 2.680 100 G HA2 0.546 4.498 3.960 -0.013 0.000 0.290 100 G HA3 0.546 4.498 3.960 -0.013 0.000 0.290 100 G C -1.145 173.645 174.900 -0.183 0.000 1.355 100 G CA -0.687 44.329 45.100 -0.140 0.000 0.903 100 G HN 0.158 nan 8.290 nan 0.000 0.474 101 D N -0.627 119.702 120.400 -0.117 0.000 2.340 101 D HA 0.298 4.930 4.640 -0.013 0.000 0.251 101 D C -0.215 176.035 176.300 -0.083 0.000 1.080 101 D CA -0.019 53.928 54.000 -0.087 0.000 0.971 101 D CB 0.928 41.739 40.800 0.019 0.000 1.137 101 D HN 0.340 nan 8.370 nan 0.000 0.475 102 W N 0.811 122.126 121.300 0.025 0.000 2.223 102 W HA 0.183 4.840 4.660 -0.005 0.000 0.334 102 W C 0.832 177.463 176.519 0.188 0.000 1.334 102 W CA 0.054 57.454 57.345 0.093 0.000 1.246 102 W CB 0.377 29.849 29.460 0.020 0.000 1.184 102 W HN 0.065 nan 8.180 nan 0.000 0.563 103 Q N 2.071 122.172 119.800 0.502 0.000 2.359 103 Q HA 0.397 4.729 4.340 -0.013 0.000 0.274 103 Q C -1.405 174.703 176.000 0.180 0.000 1.074 103 Q CA -0.837 55.149 55.803 0.304 0.000 0.810 103 Q CB 2.168 30.994 28.738 0.146 0.000 1.342 103 Q HN 0.580 nan 8.270 nan 0.000 0.427 104 C N 5.366 124.650 119.300 -0.026 0.000 2.242 104 C HA 0.613 5.065 4.460 -0.013 0.000 0.317 104 C C -2.242 172.681 174.990 -0.112 0.000 1.087 104 C CA -1.703 57.115 59.018 -0.333 0.000 1.535 104 C CB -0.762 26.608 27.740 -0.617 0.000 1.893 104 C HN 0.597 nan 8.230 nan 0.000 0.426 105 P HA 0.303 nan 4.420 nan 0.000 0.276 105 P C -0.158 177.142 177.300 0.000 0.000 1.244 105 P CA -0.034 63.057 63.100 -0.014 0.000 0.801 105 P CB 0.646 32.341 31.700 -0.009 0.000 1.006 106 D N 0.109 120.527 120.400 0.030 0.000 2.346 106 D HA -0.075 4.557 4.640 -0.013 0.000 0.236 106 D C 1.028 177.388 176.300 0.100 0.000 1.259 106 D CA -0.045 53.999 54.000 0.074 0.000 0.898 106 D CB 0.181 41.030 40.800 0.081 0.000 1.178 106 D HN 0.304 nan 8.370 nan 0.000 0.457 107 F N 0.908 120.861 119.950 0.005 0.000 2.069 107 F HA -0.193 4.326 4.527 -0.014 0.000 0.298 107 F C 2.104 177.920 175.800 0.026 0.000 1.113 107 F CA 1.704 59.707 58.000 0.005 0.000 1.214 107 F CB -0.015 38.983 39.000 -0.004 0.000 0.978 107 F HN 0.363 nan 8.300 nan 0.000 0.474 108 E N 0.399 120.598 120.200 -0.002 0.000 2.038 108 E HA -0.207 4.135 4.350 -0.013 0.000 0.195 108 E C -0.205 176.389 176.600 -0.010 0.000 1.000 108 E CA 1.624 57.997 56.400 -0.044 0.000 0.803 108 E CB -1.775 28.002 29.700 0.128 0.000 0.750 108 E HN 0.376 nan 8.360 nan 0.000 0.448 109 P HA -0.171 nan 4.420 nan 0.000 0.216 109 P C 1.581 178.855 177.300 -0.043 0.000 1.150 109 P CA 0.860 63.956 63.100 -0.006 0.000 0.843 109 P CB -0.011 31.692 31.700 0.004 0.000 0.787 110 L N -0.602 120.572 121.223 -0.082 0.000 2.027 110 L HA -0.107 4.225 4.340 -0.013 0.000 0.206 110 L C 2.183 178.967 176.870 -0.144 0.000 1.074 110 L CA 1.823 56.603 54.840 -0.101 0.000 0.745 110 L CB -1.225 40.777 42.059 -0.095 0.000 0.898 110 L HN -0.193 nan 8.230 nan 0.000 0.433 111 V N 0.145 119.896 119.914 -0.270 0.000 2.343 111 V HA -0.288 3.824 4.120 -0.013 0.000 0.247 111 V C 2.813 178.901 176.094 -0.009 0.000 1.051 111 V CA 1.584 63.742 62.300 -0.237 0.000 1.036 111 V CB -1.350 30.178 31.823 -0.492 0.000 0.654 111 V HN 0.610 nan 8.190 nan 0.000 0.451 112 A N -0.049 122.824 122.820 0.088 0.000 1.865 112 A HA -0.239 4.073 4.320 -0.013 0.000 0.217 112 A C 2.394 179.954 177.584 -0.040 0.000 1.191 112 A CA 1.871 53.933 52.037 0.042 0.000 0.623 112 A CB -0.530 18.433 19.000 -0.062 0.000 0.826 112 A HN 0.467 nan 8.150 nan 0.000 0.444 113 R N -0.697 119.774 120.500 -0.048 0.000 2.096 113 R HA -0.043 4.289 4.340 -0.013 0.000 0.235 113 R C 2.109 178.371 176.300 -0.063 0.000 1.127 113 R CA 1.377 57.442 56.100 -0.058 0.000 0.968 113 R CB -0.560 29.710 30.300 -0.049 0.000 0.861 113 R HN 0.544 nan 8.270 nan 0.000 0.440 114 L N 0.309 121.496 121.223 -0.059 0.000 2.072 114 L HA -0.164 4.168 4.340 -0.013 0.000 0.205 114 L C 2.445 179.270 176.870 -0.075 0.000 1.079 114 L CA 0.574 55.374 54.840 -0.067 0.000 0.752 114 L CB -0.378 41.646 42.059 -0.058 0.000 0.906 114 L HN 0.145 nan 8.230 nan 0.000 0.436 115 L N 0.230 121.427 121.223 -0.043 0.000 2.017 115 L HA -0.134 4.198 4.340 -0.013 0.000 0.208 115 L C 2.674 179.511 176.870 -0.053 0.000 1.073 115 L CA 1.949 56.772 54.840 -0.028 0.000 0.745 115 L CB -0.665 41.421 42.059 0.045 0.000 0.894 115 L HN 0.146 nan 8.230 nan 0.000 0.432 116 A N -0.367 122.419 122.820 -0.056 0.000 1.892 116 A HA -0.214 4.098 4.320 -0.013 0.000 0.218 116 A C 2.476 180.023 177.584 -0.060 0.000 1.188 116 A CA 2.192 54.195 52.037 -0.056 0.000 0.631 116 A CB -1.331 17.632 19.000 -0.062 0.000 0.822 116 A HN 0.586 nan 8.150 nan 0.000 0.447 117 A N -0.990 121.769 122.820 -0.102 0.000 1.908 117 A HA -0.225 4.087 4.320 -0.013 0.000 0.218 117 A C 2.315 179.765 177.584 -0.223 0.000 1.181 117 A CA 1.888 53.830 52.037 -0.157 0.000 0.627 117 A CB -1.348 17.543 19.000 -0.181 0.000 0.818 117 A HN 0.658 nan 8.150 nan 0.000 0.445 118 C N -0.841 118.284 119.300 -0.292 0.000 2.435 118 C HA -0.023 4.429 4.460 -0.013 0.000 0.279 118 C C 2.557 177.398 174.990 -0.248 0.000 1.321 118 C CA 0.897 59.604 59.018 -0.518 0.000 1.752 118 C CB -1.318 26.155 27.740 -0.444 0.000 1.959 118 C HN 0.680 nan 8.230 nan 0.000 0.500 119 E N -0.282 119.858 120.200 -0.100 0.000 2.110 119 E HA -0.228 4.114 4.350 -0.013 0.000 0.193 119 E C 2.116 178.714 176.600 -0.004 0.000 0.988 119 E CA 0.996 57.379 56.400 -0.029 0.000 0.804 119 E CB -0.272 29.414 29.700 -0.023 0.000 0.745 119 E HN 0.685 nan 8.360 nan 0.000 0.458 120 H N 0.789 119.796 119.070 -0.105 0.000 2.357 120 H HA -0.027 4.522 4.556 -0.013 0.000 0.301 120 H C 1.970 177.260 175.328 -0.063 0.000 1.082 120 H CA 1.222 57.220 56.048 -0.083 0.000 1.342 120 H CB 0.034 29.736 29.762 -0.100 0.000 1.389 120 H HN 0.146 nan 8.280 nan 0.000 0.511 121 I N 0.320 120.957 120.570 0.112 0.000 2.353 121 I HA -0.160 4.002 4.170 -0.013 0.000 0.248 121 I C 2.741 178.973 176.117 0.193 0.000 1.119 121 I CA 0.995 62.374 61.300 0.131 0.000 1.417 121 I CB -0.245 37.746 38.000 -0.014 0.000 1.078 121 I HN 0.211 nan 8.210 nan 0.000 0.421 122 A N -0.062 122.853 122.820 0.159 0.000 2.021 122 A HA 0.276 4.588 4.320 -0.013 0.000 0.216 122 A C 2.109 179.749 177.584 0.093 0.000 1.163 122 A CA 1.109 53.269 52.037 0.205 0.000 0.676 122 A CB -0.461 18.687 19.000 0.247 0.000 0.818 122 A HN 0.516 nan 8.150 nan 0.000 0.453 123 G N -0.223 108.598 108.800 0.036 0.000 2.363 123 G HA2 -0.321 3.631 3.960 -0.013 0.000 0.238 123 G HA3 -0.321 3.631 3.960 -0.013 0.000 0.238 123 G C 0.597 175.487 174.900 -0.017 0.000 1.062 123 G CA 0.410 45.501 45.100 -0.016 0.000 0.629 123 G HN 1.050 nan 8.290 nan 0.000 0.514 124 R N 0.565 121.071 120.500 0.010 0.000 2.573 124 R HA 0.789 5.121 4.340 -0.013 0.000 0.272 124 R C -0.458 175.846 176.300 0.006 0.000 1.009 124 R CA -0.455 55.648 56.100 0.006 0.000 1.059 124 R CB 1.444 31.753 30.300 0.015 0.000 1.112 124 R HN 0.294 nan 8.270 nan 0.000 0.517 125 K N 1.339 121.739 120.400 0.000 0.000 2.482 125 K HA 0.174 4.486 4.320 -0.013 0.000 0.251 125 K C -1.468 175.135 176.600 0.006 0.000 0.936 125 K CA -0.738 55.549 56.287 0.000 0.000 0.791 125 K CB 1.661 34.154 32.500 -0.012 0.000 1.213 125 K HN 0.656 nan 8.250 nan 0.000 0.428 126 N N 5.671 124.379 118.700 0.013 0.000 2.511 126 N HA 0.232 4.964 4.740 -0.013 0.000 0.249 126 N C -1.850 173.676 175.510 0.027 0.000 0.971 126 N CA -2.215 50.846 53.050 0.017 0.000 0.938 126 N CB 1.498 39.995 38.487 0.017 0.000 1.131 126 N HN 0.437 nan 8.380 nan 0.000 0.505 127 P HA -0.110 nan 4.420 nan 0.000 0.219 127 P C 0.217 177.549 177.300 0.053 0.000 1.146 127 P CA 1.282 64.399 63.100 0.029 0.000 0.808 127 P CB 0.561 32.271 31.700 0.018 0.000 0.779 128 E N -0.913 119.316 120.200 0.048 0.000 2.371 128 E HA -0.041 4.301 4.350 -0.013 0.000 0.194 128 E C 1.911 178.551 176.600 0.067 0.000 1.012 128 E CA -0.047 56.386 56.400 0.055 0.000 0.860 128 E CB -0.547 29.174 29.700 0.035 0.000 0.811 128 E HN 0.084 nan 8.360 nan 0.000 0.502 129 L N 0.506 121.770 121.223 0.068 0.000 1.989 129 L HA -0.218 4.115 4.340 -0.013 0.000 0.211 129 L C 2.133 179.050 176.870 0.078 0.000 1.071 129 L CA 1.838 56.715 54.840 0.061 0.000 0.749 129 L CB -0.812 41.275 42.059 0.047 0.000 0.890 129 L HN 0.156 nan 8.230 nan 0.000 0.431 130 Y N 0.608 120.906 120.300 -0.002 0.000 2.102 130 Y HA -0.310 4.232 4.550 -0.013 0.000 0.280 130 Y C 2.430 178.339 175.900 0.015 0.000 1.178 130 Y CA 2.408 60.505 58.100 -0.006 0.000 1.146 130 Y CB -0.153 38.297 38.460 -0.017 0.000 0.968 130 Y HN 0.333 nan 8.280 nan 0.000 0.504 131 E N 0.059 120.288 120.200 0.049 0.000 2.274 131 E HA -0.172 4.170 4.350 -0.013 0.000 0.194 131 E C 2.092 178.669 176.600 -0.039 0.000 0.996 131 E CA 1.060 57.448 56.400 -0.020 0.000 0.840 131 E CB -0.195 29.553 29.700 0.081 0.000 0.772 131 E HN 0.714 nan 8.360 nan 0.000 0.491 132 Q N 0.136 119.929 119.800 -0.012 0.000 2.079 132 Q HA -0.052 4.280 4.340 -0.013 0.000 0.200 132 Q C 2.329 178.329 176.000 0.001 0.000 0.974 132 Q CA 0.888 56.693 55.803 0.004 0.000 0.840 132 Q CB -0.056 28.697 28.738 0.023 0.000 0.898 132 Q HN 0.279 nan 8.270 nan 0.000 0.430 133 I N 0.600 121.147 120.570 -0.037 0.000 2.163 133 I HA -0.308 3.854 4.170 -0.013 0.000 0.243 133 I C 2.111 178.238 176.117 0.017 0.000 1.085 133 I CA 1.163 62.453 61.300 -0.016 0.000 1.347 133 I CB -0.244 37.703 38.000 -0.087 0.000 1.044 133 I HN 0.223 nan 8.210 nan 0.000 0.408 134 L N -0.124 121.043 121.223 -0.093 0.000 2.072 134 L HA -0.187 4.145 4.340 -0.013 0.000 0.205 134 L C 2.665 179.561 176.870 0.043 0.000 1.079 134 L CA 1.155 55.995 54.840 -0.001 0.000 0.752 134 L CB -0.805 41.175 42.059 -0.131 0.000 0.906 134 L HN 0.384 nan 8.230 nan 0.000 0.436 135 Q N 0.031 119.842 119.800 0.019 0.000 2.124 135 Q HA -0.214 4.118 4.340 -0.013 0.000 0.202 135 Q C 2.312 178.348 176.000 0.060 0.000 0.977 135 Q CA 2.008 57.836 55.803 0.041 0.000 0.850 135 Q CB -0.028 28.730 28.738 0.034 0.000 0.901 135 Q HN 0.361 nan 8.270 nan 0.000 0.429 136 S N 0.185 115.924 115.700 0.065 0.000 2.359 136 S HA -0.193 4.269 4.470 -0.013 0.000 0.224 136 S C 1.865 176.522 174.600 0.094 0.000 1.035 136 S CA 1.631 59.883 58.200 0.086 0.000 1.018 136 S CB -0.235 63.026 63.200 0.101 0.000 0.876 136 S HN 0.472 nan 8.310 nan 0.000 0.448 137 Q N 0.861 120.715 119.800 0.090 0.000 2.124 137 Q HA -0.106 4.226 4.340 -0.013 0.000 0.202 137 Q C 2.204 178.205 176.000 0.002 0.000 0.977 137 Q CA 1.379 57.196 55.803 0.023 0.000 0.850 137 Q CB -0.283 28.424 28.738 -0.052 0.000 0.901 137 Q HN 0.585 nan 8.270 nan 0.000 0.429 138 R N -0.030 120.489 120.500 0.032 0.000 2.092 138 R HA -0.116 4.216 4.340 -0.013 0.000 0.231 138 R C 2.419 178.758 176.300 0.065 0.000 1.119 138 R CA 1.016 57.138 56.100 0.036 0.000 0.970 138 R CB -0.326 30.002 30.300 0.047 0.000 0.864 138 R HN 0.199 nan 8.270 nan 0.000 0.440 139 L N 0.801 122.078 121.223 0.090 0.000 2.056 139 L HA -0.102 4.230 4.340 -0.013 0.000 0.207 139 L C 2.052 179.000 176.870 0.131 0.000 1.078 139 L CA 1.467 56.387 54.840 0.132 0.000 0.749 139 L CB -0.296 41.853 42.059 0.149 0.000 0.901 139 L HN -0.125 nan 8.230 nan 0.000 0.433 140 V N -1.088 118.886 119.914 0.100 0.000 2.332 140 V HA -0.295 3.817 4.120 -0.013 0.000 0.248 140 V C 2.766 178.884 176.094 0.040 0.000 1.055 140 V CA 1.819 64.168 62.300 0.082 0.000 1.038 140 V CB -0.844 31.070 31.823 0.152 0.000 0.651 140 V HN 0.619 nan 8.190 nan 0.000 0.450 141 S N -0.166 115.554 115.700 0.033 0.000 2.365 141 S HA -0.255 4.207 4.470 -0.013 0.000 0.225 141 S C 2.148 176.762 174.600 0.023 0.000 1.039 141 S CA 1.865 60.071 58.200 0.009 0.000 1.033 141 S CB -0.403 62.793 63.200 -0.006 0.000 0.887 141 S HN 0.644 nan 8.310 nan 0.000 0.447 142 A N 0.877 123.747 122.820 0.083 0.000 1.933 142 A HA 0.008 4.320 4.320 -0.013 0.000 0.218 142 A C 2.116 179.778 177.584 0.129 0.000 1.175 142 A CA 1.443 53.581 52.037 0.168 0.000 0.628 142 A CB -0.696 18.465 19.000 0.269 0.000 0.814 142 A HN 0.625 nan 8.150 nan 0.000 0.444 143 I N -0.627 119.952 120.570 0.015 0.000 2.142 143 I HA -0.212 3.950 4.170 -0.013 0.000 0.240 143 I C 2.374 178.263 176.117 -0.381 0.000 1.078 143 I CA 1.203 62.344 61.300 -0.266 0.000 1.343 143 I CB -0.299 37.624 38.000 -0.129 0.000 1.046 143 I HN 0.158 nan 8.210 nan 0.000 0.405 144 V N -0.120 119.613 119.914 -0.301 0.000 2.295 144 V HA -0.320 3.792 4.120 -0.013 0.000 0.246 144 V C 2.599 178.530 176.094 -0.273 0.000 1.049 144 V CA 2.215 64.301 62.300 -0.356 0.000 1.024 144 V CB -0.707 31.009 31.823 -0.178 0.000 0.648 144 V HN 0.490 nan 8.190 nan 0.000 0.447 145 S N -0.473 115.141 115.700 -0.144 0.000 2.365 145 S HA -0.344 4.119 4.470 -0.013 0.000 0.225 145 S C 2.112 176.651 174.600 -0.102 0.000 1.039 145 S CA 2.420 60.568 58.200 -0.086 0.000 1.033 145 S CB -0.462 62.735 63.200 -0.004 0.000 0.887 145 S HN 0.843 nan 8.310 nan 0.000 0.447 146 H N 1.217 120.155 119.070 -0.220 0.000 2.423 146 H HA 0.193 4.741 4.556 -0.013 0.000 0.297 146 H C 0.896 176.036 175.328 -0.313 0.000 1.075 146 H CA 1.680 57.585 56.048 -0.239 0.000 1.342 146 H CB -0.123 29.404 29.762 -0.391 0.000 1.395 146 H HN 0.355 nan 8.280 nan 0.000 0.530 147 N N 0.178 118.560 118.700 -0.531 0.000 2.558 147 N HA 0.105 4.837 4.740 -0.013 0.000 0.281 147 N C 0.501 175.704 175.510 -0.513 0.000 1.219 147 N CA 0.561 53.222 53.050 -0.649 0.000 0.942 147 N CB 0.931 38.767 38.487 -1.086 0.000 1.241 147 N HN 0.442 nan 8.380 nan 0.000 0.511 148 G N 0.463 109.049 108.800 -0.357 0.000 3.337 148 G HA2 -0.046 3.906 3.960 -0.013 0.000 0.246 148 G HA3 -0.046 3.906 3.960 -0.013 0.000 0.246 148 G C 1.350 176.147 174.900 -0.172 0.000 1.131 148 G CA -0.246 44.707 45.100 -0.245 0.000 0.773 148 G HN 0.326 nan 8.290 nan 0.000 0.544 149 R N -1.230 119.165 120.500 -0.174 0.000 2.307 149 R HA 0.277 4.609 4.340 -0.013 0.000 0.200 149 R C 0.413 176.667 176.300 -0.076 0.000 0.893 149 R CA -0.121 55.910 56.100 -0.114 0.000 1.042 149 R CB 0.019 30.251 30.300 -0.114 0.000 1.059 149 R HN 0.109 nan 8.270 nan 0.000 0.530 150 Q N 1.522 121.277 119.800 -0.075 0.000 2.199 150 Q HA 0.253 4.585 4.340 -0.013 0.000 0.232 150 Q C -0.486 175.513 176.000 -0.001 0.000 0.969 150 Q CA -0.579 55.212 55.803 -0.020 0.000 0.925 150 Q CB 0.957 29.705 28.738 0.017 0.000 1.198 150 Q HN 0.160 nan 8.270 nan 0.000 0.494 151 R N 0.213 120.727 120.500 0.024 0.000 2.585 151 R HA 0.013 4.345 4.340 -0.013 0.000 0.275 151 R C 1.107 177.446 176.300 0.064 0.000 1.018 151 R CA 0.430 56.551 56.100 0.035 0.000 1.072 151 R CB 0.292 30.617 30.300 0.041 0.000 0.953 151 R HN 0.762 nan 8.270 nan 0.000 0.419 152 A N 2.902 125.759 122.820 0.062 0.000 2.076 152 A HA -0.189 4.123 4.320 -0.013 0.000 0.220 152 A C 1.191 178.861 177.584 0.143 0.000 1.160 152 A CA 1.868 53.968 52.037 0.106 0.000 0.653 152 A CB -0.247 18.807 19.000 0.089 0.000 0.801 152 A HN 0.851 nan 8.150 nan 0.000 0.455 153 D N -1.174 119.290 120.400 0.106 0.000 2.340 153 D HA 0.378 5.010 4.640 -0.013 0.000 0.217 153 D C 1.348 177.709 176.300 0.102 0.000 1.081 153 D CA 0.621 54.682 54.000 0.102 0.000 0.842 153 D CB -0.392 40.469 40.800 0.102 0.000 0.934 153 D HN 0.249 nan 8.370 nan 0.000 0.511 154 A N 1.666 124.555 122.820 0.115 0.000 1.927 154 A HA -0.133 4.179 4.320 -0.013 0.000 0.220 154 A C -0.065 177.577 177.584 0.097 0.000 1.185 154 A CA 1.307 53.416 52.037 0.119 0.000 0.639 154 A CB -1.593 17.486 19.000 0.133 0.000 0.820 154 A HN 0.275 nan 8.150 nan 0.000 0.451 155 P HA -0.110 nan 4.420 nan 0.000 0.222 155 P C 0.899 178.147 177.300 -0.087 0.000 1.142 155 P CA 0.814 63.866 63.100 -0.080 0.000 0.788 155 P CB -0.084 31.464 31.700 -0.254 0.000 0.767 156 L N -1.293 119.905 121.223 -0.042 0.000 2.592 156 L HA 0.060 4.392 4.340 -0.013 0.000 0.227 156 L C 1.744 178.663 176.870 0.083 0.000 1.127 156 L CA 0.432 55.230 54.840 -0.070 0.000 0.884 156 L CB -0.355 41.599 42.059 -0.175 0.000 1.065 156 L HN -0.012 nan 8.230 nan 0.000 0.457 157 Q N -0.960 118.875 119.800 0.057 0.000 2.376 157 Q HA 0.194 4.526 4.340 -0.013 0.000 0.206 157 Q C 0.211 175.970 176.000 -0.400 0.000 0.921 157 Q CA 0.807 56.559 55.803 -0.085 0.000 0.911 157 Q CB 0.573 29.238 28.738 -0.121 0.000 1.032 157 Q HN 0.472 nan 8.270 nan 0.000 0.510 158 H N -1.774 117.365 119.070 0.115 0.000 3.038 158 H HA 0.052 4.600 4.556 -0.013 0.000 0.362 158 H C -0.187 175.172 175.328 0.051 0.000 1.167 158 H CA -0.642 55.468 56.048 0.103 0.000 1.197 158 H CB 0.881 30.686 29.762 0.072 0.000 1.840 158 H HN -0.058 nan 8.280 nan 0.000 0.540 159 Y N 1.999 122.354 120.300 0.092 0.000 2.069 159 Y HA -0.326 4.217 4.550 -0.013 0.000 0.278 159 Y C 2.102 177.917 175.900 -0.142 0.000 1.175 159 Y CA 2.245 60.331 58.100 -0.023 0.000 1.134 159 Y CB 0.070 38.493 38.460 -0.061 0.000 0.965 159 Y HN 0.514 nan 8.280 nan 0.000 0.498 160 L N 0.769 121.737 121.223 -0.424 0.000 2.093 160 L HA -0.195 4.137 4.340 -0.013 0.000 0.208 160 L C 2.157 178.825 176.870 -0.336 0.000 1.085 160 L CA 1.845 56.357 54.840 -0.547 0.000 0.755 160 L CB -0.844 41.055 42.059 -0.267 0.000 0.904 160 L HN 0.306 nan 8.230 nan 0.000 0.435 161 Q N -0.640 119.064 119.800 -0.160 0.000 2.124 161 Q HA -0.180 4.152 4.340 -0.013 0.000 0.202 161 Q C 2.455 178.313 176.000 -0.236 0.000 0.977 161 Q CA 1.963 57.695 55.803 -0.118 0.000 0.850 161 Q CB -0.325 28.432 28.738 0.031 0.000 0.901 161 Q HN 0.774 nan 8.270 nan 0.000 0.429 162 S N 0.163 115.704 115.700 -0.265 0.000 2.382 162 S HA -0.160 4.302 4.470 -0.013 0.000 0.228 162 S C 1.658 176.025 174.600 -0.388 0.000 1.027 162 S CA 0.969 58.982 58.200 -0.313 0.000 0.991 162 S CB -0.129 62.933 63.200 -0.230 0.000 0.823 162 S HN 0.238 nan 8.310 nan 0.000 0.469 163 E N 1.339 121.254 120.200 -0.476 0.000 2.152 163 E HA -0.031 4.311 4.350 -0.013 0.000 0.192 163 E C 2.115 178.532 176.600 -0.305 0.000 0.983 163 E CA 0.869 57.032 56.400 -0.396 0.000 0.818 163 E CB -0.273 29.149 29.700 -0.463 0.000 0.758 163 E HN 0.761 nan 8.360 nan 0.000 0.467 164 Q N -0.671 118.945 119.800 -0.306 0.000 2.424 164 Q HA 0.073 4.405 4.340 -0.013 0.000 0.204 164 Q C 1.433 177.140 176.000 -0.487 0.000 0.933 164 Q CA 0.657 56.312 55.803 -0.247 0.000 0.929 164 Q CB 0.545 29.209 28.738 -0.123 0.000 1.037 164 Q HN 0.112 nan 8.270 nan 0.000 0.511 165 G N 0.221 108.573 108.800 -0.747 0.000 3.502 165 G HA2 0.141 4.093 3.960 -0.013 0.000 0.267 165 G HA3 0.141 4.093 3.960 -0.013 0.000 0.267 165 G C -0.078 173.923 174.900 -1.499 0.000 1.090 165 G CA -0.267 43.880 45.100 -1.587 0.000 0.795 165 G HN 0.120 nan 8.290 nan 0.000 0.535 166 L N 1.127 121.871 121.223 -0.800 0.000 2.423 166 L HA 0.412 4.744 4.340 -0.013 0.000 0.249 166 L C 1.033 177.694 176.870 -0.348 0.000 1.276 166 L CA -0.918 53.627 54.840 -0.491 0.000 1.199 166 L CB -0.643 41.260 42.059 -0.261 0.000 1.407 166 L HN 0.387 nan 8.230 nan 0.000 0.410 167 W N 1.315 122.418 121.300 -0.329 0.000 2.350 167 W HA -0.192 4.459 4.660 -0.016 0.000 0.289 167 W C 1.220 177.397 176.519 -0.570 0.000 1.215 167 W CA 0.408 57.397 57.345 -0.592 0.000 1.236 167 W CB -0.370 28.465 29.460 -1.042 0.000 1.130 167 W HN 0.407 nan 8.180 nan 0.000 0.541 168 F N -0.611 119.460 119.950 0.201 0.000 2.717 168 F HA 0.440 4.961 4.527 -0.009 0.000 0.297 168 F C 1.760 177.622 175.800 0.104 0.000 1.113 168 F CA 0.388 58.475 58.000 0.146 0.000 1.319 168 F CB -0.677 38.411 39.000 0.147 0.000 1.097 168 F HN -0.044 nan 8.300 nan 0.000 0.595 169 G N 0.050 108.958 108.800 0.179 0.000 2.593 169 G HA2 -0.284 3.668 3.960 -0.013 0.000 0.237 169 G HA3 -0.284 3.668 3.960 -0.013 0.000 0.237 169 G C -0.374 174.612 174.900 0.144 0.000 1.312 169 G CA -0.375 44.789 45.100 0.106 0.000 0.896 169 G HN 0.443 nan 8.290 nan 0.000 0.574 170 H N 2.801 121.877 119.070 0.011 0.000 3.214 170 H HA 0.092 4.640 4.556 -0.014 0.000 0.291 170 H C -0.727 174.671 175.328 0.116 0.000 0.926 170 H CA 0.087 56.154 56.048 0.031 0.000 1.409 170 H CB 1.024 30.774 29.762 -0.020 0.000 1.406 170 H HN 0.269 nan 8.280 nan 0.000 0.561 171 P HA 0.017 nan 4.420 nan 0.000 0.236 171 P C -0.278 177.225 177.300 0.339 0.000 1.177 171 P CA 0.357 63.620 63.100 0.272 0.000 0.773 171 P CB 0.607 32.398 31.700 0.152 0.000 0.878 172 S N 0.011 116.033 115.700 0.537 0.000 2.128 172 S HA 0.254 4.716 4.470 -0.013 0.000 0.157 172 S C -0.613 174.077 174.600 0.149 0.000 1.650 172 S CA -0.412 57.986 58.200 0.331 0.000 1.269 172 S CB -0.117 63.264 63.200 0.303 0.000 1.227 172 S HN 0.187 nan 8.310 nan 0.000 0.405 173 H N 2.054 121.128 119.070 0.007 0.000 2.954 173 H HA 0.290 4.838 4.556 -0.014 0.000 0.361 173 H C -2.599 172.723 175.328 -0.010 0.000 1.122 173 H CA -1.507 54.454 56.048 -0.145 0.000 1.217 173 H CB 2.691 32.262 29.762 -0.318 0.000 1.776 173 H HN 0.043 nan 8.280 nan 0.000 0.533 174 P HA 0.019 nan 4.420 nan 0.000 0.221 174 P C 0.077 177.458 177.300 0.135 0.000 1.150 174 P CA 0.707 63.808 63.100 0.001 0.000 0.800 174 P CB 0.650 32.297 31.700 -0.088 0.000 0.787 175 A N -0.019 122.989 122.820 0.313 0.000 3.370 175 A HA 0.407 4.719 4.320 -0.013 0.000 0.295 175 A C -1.749 175.961 177.584 0.210 0.000 1.030 175 A CA -0.997 51.185 52.037 0.241 0.000 0.883 175 A CB 0.271 19.359 19.000 0.147 0.000 1.191 175 A HN -0.025 nan 8.150 nan 0.000 0.507 176 P HA -0.157 nan 4.420 nan 0.000 0.218 176 P C 0.553 177.847 177.300 -0.011 0.000 1.148 176 P CA 1.434 64.535 63.100 0.002 0.000 0.822 176 P CB 0.297 32.075 31.700 0.130 0.000 0.784 177 K N -0.889 119.544 120.400 0.053 0.000 2.455 177 K HA 0.327 4.639 4.320 -0.013 0.000 0.206 177 K C 0.478 177.100 176.600 0.038 0.000 1.027 177 K CA -0.535 55.784 56.287 0.054 0.000 1.113 177 K CB 0.410 32.969 32.500 0.098 0.000 0.850 177 K HN -0.001 nan 8.250 nan 0.000 0.503 178 A N 2.057 124.886 122.820 0.016 0.000 2.484 178 A HA 0.200 4.512 4.320 -0.013 0.000 0.268 178 A C -0.196 177.339 177.584 -0.082 0.000 1.114 178 A CA 0.228 52.260 52.037 -0.009 0.000 0.780 178 A CB -0.093 18.912 19.000 0.008 0.000 1.061 178 A HN 0.230 nan 8.150 nan 0.000 0.505 179 R N 2.605 123.037 120.500 -0.114 0.000 2.514 179 R HA 0.412 4.744 4.340 -0.013 0.000 0.296 179 R C -1.426 174.676 176.300 -0.330 0.000 1.012 179 R CA -0.708 55.202 56.100 -0.317 0.000 0.897 179 R CB 1.900 31.982 30.300 -0.362 0.000 1.184 179 R HN 0.589 nan 8.270 nan 0.000 0.440 180 L N 4.545 125.539 121.223 -0.383 0.000 2.301 180 L HA 0.428 4.760 4.340 -0.013 0.000 0.278 180 L C -1.146 175.549 176.870 -0.292 0.000 1.022 180 L CA -0.431 54.275 54.840 -0.223 0.000 0.854 180 L CB 0.457 42.450 42.059 -0.110 0.000 1.226 180 L HN 0.691 nan 8.230 nan 0.000 0.429 181 W N 5.932 127.212 121.300 -0.034 0.000 2.251 181 W HA 0.424 5.076 4.660 -0.014 0.000 0.329 181 W C -1.330 175.113 176.519 -0.127 0.000 1.234 181 W CA -1.183 56.114 57.345 -0.080 0.000 1.228 181 W CB -0.166 29.263 29.460 -0.052 0.000 1.135 181 W HN 0.475 nan 8.180 nan 0.000 0.576 185 L N 0.590 121.797 121.223 -0.025 0.000 2.749 185 L HA 0.614 4.947 4.340 -0.013 0.000 0.242 185 L C 0.912 177.799 176.870 0.028 0.000 1.103 185 L CA 0.298 55.193 54.840 0.091 0.000 0.906 185 L CB 0.973 43.071 42.059 0.065 0.000 1.228 185 L HN 0.647 nan 8.230 nan 0.000 0.517 186 G N 0.244 109.001 108.800 -0.073 0.000 2.716 186 G HA2 -0.187 3.765 3.960 -0.013 0.000 0.686 186 G HA3 -0.187 3.765 3.960 -0.013 0.000 0.686 186 G C 0.039 174.750 174.900 -0.314 0.000 1.337 186 G CA -0.481 44.517 45.100 -0.171 0.000 0.829 186 G HN -0.007 nan 8.290 nan 0.000 0.599 187 Q N 0.482 120.154 119.800 -0.213 0.000 2.062 187 Q HA -0.016 4.316 4.340 -0.013 0.000 0.196 187 Q C 2.537 178.348 176.000 -0.314 0.000 0.967 187 Q CA 1.882 57.613 55.803 -0.121 0.000 0.832 187 Q CB -0.031 28.722 28.738 0.025 0.000 0.899 187 Q HN 0.883 nan 8.270 nan 0.000 0.442 188 E N 0.822 120.690 120.200 -0.554 0.000 2.153 188 E HA -0.201 4.141 4.350 -0.013 0.000 0.194 188 E C 1.884 178.163 176.600 -0.534 0.000 0.988 188 E CA 0.845 56.800 56.400 -0.741 0.000 0.811 188 E CB 0.062 29.205 29.700 -0.928 0.000 0.746 188 E HN 0.266 nan 8.360 nan 0.000 0.466 189 Q N -0.879 118.477 119.800 -0.739 0.000 2.369 189 Q HA -0.109 4.223 4.340 -0.013 0.000 0.206 189 Q C 0.841 176.170 176.000 -1.119 0.000 0.963 189 Q CA 1.052 56.237 55.803 -1.030 0.000 0.894 189 Q CB -0.103 27.794 28.738 -1.401 0.000 0.965 189 Q HN 0.470 nan 8.270 nan 0.000 0.475 190 W N -0.785 120.378 121.300 -0.227 0.000 3.008 190 W HA 0.536 5.188 4.660 -0.014 0.000 0.355 190 W C 0.079 176.585 176.519 -0.022 0.000 1.095 190 W CA -0.446 56.800 57.345 -0.165 0.000 1.738 190 W CB 0.607 29.796 29.460 -0.452 0.000 1.091 190 W HN -0.178 nan 8.180 nan 0.000 0.574 191 A N 2.902 125.796 122.820 0.122 0.000 2.302 191 A HA 0.301 4.613 4.320 -0.013 0.000 0.295 191 A C -1.199 176.489 177.584 0.172 0.000 1.235 191 A CA -1.291 50.882 52.037 0.226 0.000 0.876 191 A CB 0.495 19.698 19.000 0.338 0.000 1.133 191 A HN -0.090 nan 8.150 nan 0.000 0.533 192 P HA -0.185 nan 4.420 nan 0.000 0.218 192 P C 0.598 177.945 177.300 0.078 0.000 1.148 192 P CA 1.353 64.483 63.100 0.049 0.000 0.822 192 P CB 0.262 31.954 31.700 -0.014 0.000 0.784 193 E N -1.323 118.952 120.200 0.127 0.000 2.409 193 E HA -0.074 4.268 4.350 -0.013 0.000 0.198 193 E C 0.901 177.493 176.600 -0.014 0.000 1.024 193 E CA 0.789 57.270 56.400 0.135 0.000 0.861 193 E CB -0.789 28.997 29.700 0.143 0.000 0.788 193 E HN 0.356 nan 8.360 nan 0.000 0.521 194 F N 0.082 120.055 119.950 0.039 0.000 2.684 194 F HA 0.173 4.693 4.527 -0.012 0.000 0.298 194 F C 0.024 175.817 175.800 -0.011 0.000 1.120 194 F CA -0.423 57.513 58.000 -0.107 0.000 1.332 194 F CB 0.215 39.045 39.000 -0.284 0.000 0.986 194 F HN -0.253 nan 8.300 nan 0.000 0.524 195 Q N -0.309 119.587 119.800 0.161 0.000 2.461 195 Q HA -0.225 4.107 4.340 -0.013 0.000 0.273 195 Q C 0.464 176.518 176.000 0.089 0.000 1.163 195 Q CA 0.684 56.559 55.803 0.120 0.000 0.929 195 Q CB -1.972 26.848 28.738 0.138 0.000 1.334 195 Q HN 0.416 nan 8.270 nan 0.000 0.499 196 A N 0.523 123.385 122.820 0.070 0.000 2.561 196 A HA 0.369 4.681 4.320 -0.013 0.000 0.234 196 A C 0.381 178.000 177.584 0.058 0.000 1.055 196 A CA 0.579 52.624 52.037 0.012 0.000 0.756 196 A CB 0.368 19.347 19.000 -0.036 0.000 0.986 196 A HN 0.337 nan 8.150 nan 0.000 0.505 197 R N 0.400 120.934 120.500 0.057 0.000 2.725 197 R HA 0.736 5.068 4.340 -0.013 0.000 0.277 197 R C -0.891 175.495 176.300 0.143 0.000 0.987 197 R CA -0.158 56.028 56.100 0.144 0.000 0.901 197 R CB 2.552 32.909 30.300 0.094 0.000 1.207 197 R HN 1.100 nan 8.270 nan 0.000 0.463 198 A N 1.011 123.996 122.820 0.275 0.000 2.589 198 A HA 0.721 5.033 4.320 -0.013 0.000 0.296 198 A C -1.332 176.289 177.584 0.061 0.000 1.062 198 A CA -0.678 51.473 52.037 0.190 0.000 0.686 198 A CB 1.631 20.872 19.000 0.402 0.000 1.282 198 A HN 0.761 nan 8.150 nan 0.000 0.404 199 A N 1.647 124.458 122.820 -0.016 0.000 2.440 199 A HA 0.561 4.873 4.320 -0.013 0.000 0.251 199 A C 0.268 177.740 177.584 -0.188 0.000 1.089 199 A CA -0.117 51.855 52.037 -0.108 0.000 0.779 199 A CB -0.316 18.624 19.000 -0.101 0.000 1.022 199 A HN 0.923 nan 8.150 nan 0.000 0.492 200 L N 1.764 122.800 121.223 -0.312 0.000 2.483 200 L HA 0.082 4.414 4.340 -0.013 0.000 0.276 200 L C 0.802 177.548 176.870 -0.207 0.000 1.213 200 L CA -0.041 54.574 54.840 -0.375 0.000 0.843 200 L CB 0.239 42.047 42.059 -0.418 0.000 1.107 200 L HN 0.851 nan 8.230 nan 0.000 0.487 201 H N 1.926 120.863 119.070 -0.221 0.000 2.582 201 H HA 0.243 4.791 4.556 -0.013 0.000 0.345 201 H C -0.695 174.489 175.328 -0.240 0.000 1.104 201 H CA -0.029 55.895 56.048 -0.205 0.000 1.390 201 H CB 0.742 30.417 29.762 -0.144 0.000 1.461 201 H HN 0.500 nan 8.280 nan 0.000 0.551 202 Q N 3.211 122.865 119.800 -0.243 0.000 2.394 202 Q HA 0.353 4.685 4.340 -0.013 0.000 0.273 202 Q C -1.427 174.346 176.000 -0.379 0.000 1.089 202 Q CA -0.833 54.857 55.803 -0.189 0.000 0.812 202 Q CB 2.536 31.175 28.738 -0.166 0.000 1.353 202 Q HN 0.496 nan 8.270 nan 0.000 0.438 203 F N 0.332 120.284 119.950 0.003 0.000 2.551 203 F HA 0.282 4.801 4.527 -0.013 0.000 0.316 203 F C 0.043 175.798 175.800 -0.076 0.000 1.089 203 F CA -0.809 57.178 58.000 -0.021 0.000 0.915 203 F CB 1.930 40.902 39.000 -0.047 0.000 1.186 203 F HN 0.434 nan 8.300 nan 0.000 0.456 204 E N 2.957 123.217 120.200 0.099 0.000 2.229 204 E HA 0.552 4.894 4.350 -0.013 0.000 0.283 204 E C -1.358 175.249 176.600 0.011 0.000 1.030 204 E CA -0.575 55.851 56.400 0.043 0.000 0.836 204 E CB 1.160 30.863 29.700 0.005 0.000 1.068 204 E HN 0.527 nan 8.360 nan 0.000 0.401 205 V N 1.860 121.739 119.914 -0.058 0.000 2.914 205 V HA 0.685 4.797 4.120 -0.013 0.000 0.314 205 V C -2.663 173.382 176.094 -0.083 0.000 1.084 205 V CA -2.681 59.432 62.300 -0.312 0.000 0.963 205 V CB 1.528 32.725 31.823 -1.043 0.000 1.025 205 V HN 0.608 nan 8.190 nan 0.000 0.432 206 P HA 0.171 nan 4.420 nan 0.000 0.275 206 P C 1.094 178.403 177.300 0.016 0.000 1.227 206 P CA 0.178 63.084 63.100 -0.324 0.000 0.781 206 P CB 1.595 33.194 31.700 -0.168 0.000 0.906 207 V N 0.399 120.261 119.914 -0.087 0.000 2.720 207 V HA -0.230 3.882 4.120 -0.013 0.000 0.256 207 V C 1.500 177.598 176.094 0.007 0.000 1.082 207 V CA 2.208 64.515 62.300 0.011 0.000 1.101 207 V CB -1.726 30.088 31.823 -0.013 0.000 0.693 207 V HN 0.465 nan 8.190 nan 0.000 0.479 208 D N 1.732 122.121 120.400 -0.019 0.000 2.312 208 D HA 0.021 4.653 4.640 -0.013 0.000 0.211 208 D C 1.894 178.097 176.300 -0.161 0.000 0.964 208 D CA 1.327 55.282 54.000 -0.075 0.000 0.877 208 D CB -0.628 40.130 40.800 -0.069 0.000 0.924 208 D HN 0.527 nan 8.370 nan 0.000 0.515 209 G N -0.243 108.477 108.800 -0.132 0.000 3.088 209 G HA2 0.209 4.161 3.960 -0.013 0.000 0.217 209 G HA3 0.209 4.161 3.960 -0.013 0.000 0.217 209 G C 0.460 175.046 174.900 -0.523 0.000 1.159 209 G CA -0.434 44.320 45.100 -0.577 0.000 0.760 209 G HN 0.211 nan 8.290 nan 0.000 0.550 210 L N 1.660 122.804 121.223 -0.132 0.000 2.380 210 L HA 0.288 4.620 4.340 -0.013 0.000 0.273 210 L C -0.117 176.568 176.870 -0.309 0.000 1.138 210 L CA -0.293 54.538 54.840 -0.016 0.000 0.832 210 L CB 0.663 42.772 42.059 0.083 0.000 1.124 210 L HN 0.196 nan 8.230 nan 0.000 0.454 211 H N 5.293 124.381 119.070 0.030 0.000 2.762 211 H HA 0.438 4.986 4.556 -0.013 0.000 0.310 211 H C -0.667 174.699 175.328 0.062 0.000 1.004 211 H CA -0.442 55.626 56.048 0.034 0.000 1.267 211 H CB 1.483 31.262 29.762 0.028 0.000 1.437 211 H HN 0.415 nan 8.280 nan 0.000 0.498 212 I N 2.207 122.860 120.570 0.139 0.000 2.378 212 I HA 0.309 4.471 4.170 -0.013 0.000 0.291 212 I C 0.736 176.926 176.117 0.121 0.000 0.992 212 I CA -0.677 60.699 61.300 0.127 0.000 1.154 212 I CB 2.042 40.102 38.000 0.100 0.000 1.315 212 I HN 0.535 nan 8.210 nan 0.000 0.448 213 G N 4.471 113.347 108.800 0.128 0.000 2.371 213 G HA2 0.780 4.732 3.960 -0.013 0.000 0.326 213 G HA3 0.780 4.732 3.960 -0.013 0.000 0.326 213 G C -1.085 173.874 174.900 0.097 0.000 1.127 213 G CA -0.455 44.712 45.100 0.113 0.000 0.885 213 G HN 0.769 nan 8.290 nan 0.000 0.477 214 A N 1.618 124.487 122.820 0.081 0.000 2.465 214 A HA 0.665 4.977 4.320 -0.013 0.000 0.292 214 A C -1.054 176.568 177.584 0.063 0.000 1.041 214 A CA -0.804 51.271 52.037 0.063 0.000 0.718 214 A CB 1.837 20.869 19.000 0.053 0.000 1.266 214 A HN 0.695 nan 8.150 nan 0.000 0.403 215 N N 0.970 119.708 118.700 0.064 0.000 2.442 215 N HA 0.517 5.249 4.740 -0.013 0.000 0.274 215 N C 0.769 176.316 175.510 0.062 0.000 1.002 215 N CA 0.923 54.014 53.050 0.068 0.000 0.910 215 N CB 1.482 40.022 38.487 0.088 0.000 1.244 215 N HN 1.766 nan 8.380 nan 0.000 0.492 216 G N 1.974 110.806 108.800 0.053 0.000 2.168 216 G HA2 -0.234 3.718 3.960 -0.013 0.000 0.263 216 G HA3 -0.234 3.718 3.960 -0.013 0.000 0.263 216 G C -0.437 174.491 174.900 0.047 0.000 0.977 216 G CA 0.825 45.955 45.100 0.049 0.000 0.659 216 G HN 0.497 nan 8.290 nan 0.000 0.533 217 L N 0.297 121.546 121.223 0.042 0.000 2.393 217 L HA 0.634 4.966 4.340 -0.013 0.000 0.260 217 L C 0.850 177.740 176.870 0.033 0.000 1.002 217 L CA -0.672 54.189 54.840 0.035 0.000 0.818 217 L CB 2.227 44.297 42.059 0.018 0.000 1.369 217 L HN 0.268 nan 8.230 nan 0.000 0.412 218 T N -2.362 112.211 114.554 0.032 0.000 2.868 218 T HA 0.236 4.578 4.350 -0.013 0.000 0.292 218 T C -2.012 172.709 174.700 0.036 0.000 1.028 218 T CA -1.509 60.611 62.100 0.033 0.000 1.059 218 T CB 1.154 70.041 68.868 0.032 0.000 0.991 218 T HN 0.331 nan 8.240 nan 0.000 0.531 219 P HA -0.171 nan 4.420 nan 0.000 0.217 219 P C 1.719 179.052 177.300 0.056 0.000 1.151 219 P CA 1.067 64.199 63.100 0.053 0.000 0.849 219 P CB 0.069 31.799 31.700 0.050 0.000 0.787 220 Q N 0.085 119.913 119.800 0.047 0.000 2.050 220 Q HA -0.201 4.131 4.340 -0.013 0.000 0.202 220 Q C 2.258 178.287 176.000 0.049 0.000 0.980 220 Q CA 1.818 57.651 55.803 0.050 0.000 0.840 220 Q CB -0.976 27.787 28.738 0.041 0.000 0.898 220 Q HN 0.274 nan 8.270 nan 0.000 0.424 221 Q N -0.927 118.895 119.800 0.037 0.000 2.135 221 Q HA -0.143 4.189 4.340 -0.013 0.000 0.204 221 Q C 2.086 178.077 176.000 -0.014 0.000 0.981 221 Q CA 1.647 57.465 55.803 0.026 0.000 0.856 221 Q CB -0.060 28.695 28.738 0.027 0.000 0.902 221 Q HN 0.273 nan 8.270 nan 0.000 0.425 222 V N 1.096 121.001 119.914 -0.014 0.000 2.261 222 V HA -0.295 3.817 4.120 -0.013 0.000 0.246 222 V C 2.246 178.384 176.094 0.073 0.000 1.047 222 V CA 1.643 63.915 62.300 -0.047 0.000 1.015 222 V CB -0.586 31.262 31.823 0.042 0.000 0.642 222 V HN 0.371 nan 8.190 nan 0.000 0.446 223 L N -0.062 121.253 121.223 0.153 0.000 1.997 223 L HA -0.288 4.044 4.340 -0.013 0.000 0.216 223 L C 2.464 179.434 176.870 0.168 0.000 1.074 223 L CA 2.078 57.039 54.840 0.201 0.000 0.763 223 L CB -0.960 41.174 42.059 0.124 0.000 0.890 223 L HN 0.378 nan 8.230 nan 0.000 0.434 224 D N -0.051 120.406 120.400 0.095 0.000 2.158 224 D HA -0.166 4.467 4.640 -0.013 0.000 0.197 224 D C 2.060 178.422 176.300 0.102 0.000 0.995 224 D CA 1.547 55.598 54.000 0.086 0.000 0.846 224 D CB -0.449 40.395 40.800 0.073 0.000 0.941 224 D HN 0.442 nan 8.370 nan 0.000 0.456 225 G N -0.344 108.464 108.800 0.013 0.000 2.422 225 G HA2 -0.228 3.724 3.960 -0.013 0.000 0.218 225 G HA3 -0.228 3.724 3.960 -0.013 0.000 0.218 225 G C 1.381 176.301 174.900 0.034 0.000 1.146 225 G CA 0.218 45.308 45.100 -0.016 0.000 0.769 225 G HN 0.191 nan 8.290 nan 0.000 0.547 226 F N 1.225 121.209 119.950 0.057 0.000 2.187 226 F HA 0.461 4.980 4.527 -0.013 0.000 0.295 226 F C 1.455 177.245 175.800 -0.016 0.000 1.091 226 F CA 0.798 58.814 58.000 0.027 0.000 1.308 226 F CB 0.079 39.078 39.000 -0.000 0.000 1.030 226 F HN 0.260 nan 8.300 nan 0.000 0.487 227 A N -0.772 122.155 122.820 0.178 0.000 2.566 227 A HA 0.396 4.708 4.320 -0.013 0.000 0.297 227 A C -1.509 176.100 177.584 0.041 0.000 1.059 227 A CA -0.823 51.253 52.037 0.065 0.000 0.691 227 A CB 0.542 19.575 19.000 0.055 0.000 1.282 227 A HN -0.046 nan 8.150 nan 0.000 0.401 228 D N 1.232 121.630 120.400 -0.003 0.000 2.472 228 D HA 0.111 4.743 4.640 -0.013 0.000 0.248 228 D C 0.731 177.035 176.300 0.008 0.000 1.174 228 D CA 0.497 54.497 54.000 -0.001 0.000 0.883 228 D CB 0.852 41.637 40.800 -0.026 0.000 1.149 228 D HN 0.355 nan 8.370 nan 0.000 0.488 229 Q N 2.732 122.545 119.800 0.021 0.000 2.392 229 Q HA -0.081 4.252 4.340 -0.013 0.000 0.203 229 Q C 1.431 177.440 176.000 0.017 0.000 0.917 229 Q CA 0.086 55.905 55.803 0.027 0.000 0.939 229 Q CB 0.132 28.895 28.738 0.042 0.000 1.063 229 Q HN 0.676 nan 8.270 nan 0.000 0.516 230 Q N 1.584 121.388 119.800 0.007 0.000 2.062 230 Q HA -0.169 4.163 4.340 -0.013 0.000 0.209 230 Q C -0.926 175.071 176.000 -0.005 0.000 0.996 230 Q CA 1.884 57.688 55.803 0.001 0.000 0.859 230 Q CB -0.946 27.788 28.738 -0.006 0.000 0.920 230 Q HN 0.272 nan 8.270 nan 0.000 0.415 231 P HA 0.036 nan 4.420 nan 0.000 0.231 231 P C -0.702 176.585 177.300 -0.021 0.000 1.158 231 P CA 0.877 63.963 63.100 -0.023 0.000 0.763 231 P CB -0.238 31.441 31.700 -0.035 0.000 0.805 232 A N 0.327 123.146 122.820 -0.002 0.000 2.388 232 A HA 0.425 4.737 4.320 -0.013 0.000 0.257 232 A C 0.837 178.428 177.584 0.012 0.000 1.095 232 A CA -0.200 51.846 52.037 0.014 0.000 0.791 232 A CB -0.027 19.005 19.000 0.053 0.000 1.029 232 A HN 0.233 nan 8.150 nan 0.000 0.489 233 S N 2.288 117.977 115.700 -0.017 0.000 2.645 233 S HA 0.564 5.026 4.470 -0.013 0.000 0.266 233 S C -2.706 171.948 174.600 0.091 0.000 1.258 233 S CA -1.248 56.943 58.200 -0.015 0.000 0.990 233 S CB 0.008 63.133 63.200 -0.125 0.000 0.967 233 S HN 0.494 nan 8.310 nan 0.000 0.556 234 P HA 0.277 nan 4.420 nan 0.000 0.266 234 P C 0.911 178.334 177.300 0.205 0.000 1.195 234 P CA 1.159 64.326 63.100 0.111 0.000 0.768 234 P CB 0.058 31.801 31.700 0.072 0.000 0.838 235 G N 0.366 109.240 108.800 0.124 0.000 2.153 235 G HA2 -0.223 3.729 3.960 -0.013 0.000 0.252 235 G HA3 -0.223 3.729 3.960 -0.013 0.000 0.252 235 G C -0.056 174.780 174.900 -0.107 0.000 0.994 235 G CA 0.174 45.297 45.100 0.038 0.000 0.698 235 G HN 0.693 nan 8.290 nan 0.000 0.521 236 H N -0.772 118.314 119.070 0.026 0.000 2.949 236 H HA 0.842 5.390 4.556 -0.013 0.000 0.356 236 H C 0.188 175.526 175.328 0.017 0.000 1.212 236 H CA 0.254 56.314 56.048 0.020 0.000 1.136 236 H CB 1.999 31.764 29.762 0.005 0.000 1.869 236 H HN 0.835 nan 8.280 nan 0.000 0.556 237 A N 0.845 123.747 122.820 0.136 0.000 2.594 237 A HA 0.644 4.956 4.320 -0.013 0.000 0.291 237 A C -1.453 176.161 177.584 0.050 0.000 1.105 237 A CA -0.629 51.454 52.037 0.077 0.000 0.694 237 A CB 1.241 20.278 19.000 0.062 0.000 1.291 237 A HN 0.548 nan 8.150 nan 0.000 0.410 238 I N 2.058 122.651 120.570 0.039 0.000 2.339 238 I HA 0.426 4.588 4.170 -0.013 0.000 0.290 238 I C -0.395 175.731 176.117 0.015 0.000 0.994 238 I CA -0.417 60.897 61.300 0.022 0.000 1.191 238 I CB 1.195 39.202 38.000 0.011 0.000 1.343 238 I HN 0.663 nan 8.210 nan 0.000 0.458 239 I N 4.336 124.906 120.570 -0.000 0.000 2.750 239 I HA 0.765 4.927 4.170 -0.013 0.000 0.308 239 I C -0.158 175.948 176.117 -0.018 0.000 1.016 239 I CA -0.554 60.715 61.300 -0.052 0.000 1.098 239 I CB 1.978 39.920 38.000 -0.096 0.000 1.279 239 I HN 0.652 nan 8.210 nan 0.000 0.454 240 C N 3.522 122.773 119.300 -0.080 0.000 2.719 240 C HA 0.911 5.363 4.460 -0.013 0.000 0.327 240 C C -0.461 174.492 174.990 -0.063 0.000 1.238 240 C CA -0.760 58.230 59.018 -0.046 0.000 1.727 240 C CB 1.411 29.120 27.740 -0.053 0.000 2.256 240 C HN 0.997 nan 8.230 nan 0.000 0.489 241 M N 1.311 120.893 119.600 -0.030 0.000 2.520 241 M HA 0.324 4.796 4.480 -0.013 0.000 0.280 241 M C -0.663 175.629 176.300 -0.013 0.000 1.232 241 M CA -0.350 54.944 55.300 -0.011 0.000 0.892 241 M CB 1.538 34.147 32.600 0.015 0.000 1.728 241 M HN 0.954 nan 8.290 nan 0.000 0.475 242 H N 2.720 121.784 119.070 -0.009 0.000 3.167 242 H HA -0.006 4.542 4.556 -0.014 0.000 0.306 242 H C -1.964 173.346 175.328 -0.031 0.000 0.965 242 H CA 0.116 56.210 56.048 0.077 0.000 1.408 242 H CB 0.697 30.590 29.762 0.217 0.000 1.406 242 H HN 0.284 nan 8.280 nan 0.000 0.576 243 P HA -0.181 nan 4.420 nan 0.000 0.217 243 P C 1.621 178.921 177.300 0.000 0.000 1.148 243 P CA 0.864 64.005 63.100 0.068 0.000 0.828 243 P CB 0.346 32.105 31.700 0.098 0.000 0.783 244 V N -0.682 119.203 119.914 -0.049 0.000 2.453 244 V HA -0.217 3.895 4.120 -0.013 0.000 0.247 244 V C 2.622 178.695 176.094 -0.035 0.000 1.048 244 V CA 1.802 64.001 62.300 -0.169 0.000 1.049 244 V CB -1.097 30.481 31.823 -0.408 0.000 0.672 244 V HN 0.100 nan 8.190 nan 0.000 0.457 245 Q N 0.662 120.455 119.800 -0.012 0.000 2.119 245 Q HA -0.070 4.262 4.340 -0.013 0.000 0.201 245 Q C 2.112 178.145 176.000 0.054 0.000 0.972 245 Q CA 1.913 57.719 55.803 0.005 0.000 0.847 245 Q CB -0.492 28.243 28.738 -0.004 0.000 0.903 245 Q HN 0.569 nan 8.270 nan 0.000 0.433 246 A N 0.104 122.945 122.820 0.035 0.000 1.908 246 A HA -0.230 4.082 4.320 -0.013 0.000 0.218 246 A C 2.018 179.654 177.584 0.086 0.000 1.181 246 A CA 1.600 53.651 52.037 0.024 0.000 0.627 246 A CB -0.556 18.193 19.000 -0.419 0.000 0.818 246 A HN 0.399 nan 8.150 nan 0.000 0.445 247 Q N -0.159 119.674 119.800 0.054 0.000 2.046 247 Q HA -0.058 4.274 4.340 -0.013 0.000 0.200 247 Q C 2.252 178.341 176.000 0.150 0.000 0.975 247 Q CA 1.300 57.172 55.803 0.114 0.000 0.836 247 Q CB -0.640 28.180 28.738 0.136 0.000 0.896 247 Q HN 0.725 nan 8.270 nan 0.000 0.428 248 L N -0.304 121.007 121.223 0.147 0.000 2.013 248 L HA -0.203 4.129 4.340 -0.013 0.000 0.212 248 L C 2.381 179.376 176.870 0.209 0.000 1.073 248 L CA 1.413 56.348 54.840 0.158 0.000 0.753 248 L CB -0.654 41.480 42.059 0.125 0.000 0.890 248 L HN 0.133 nan 8.230 nan 0.000 0.432 249 F N 0.334 120.309 119.950 0.041 0.000 2.091 249 F HA -0.304 4.215 4.527 -0.013 0.000 0.299 249 F C 2.439 178.303 175.800 0.107 0.000 1.103 249 F CA 1.639 59.660 58.000 0.035 0.000 1.228 249 F CB -0.015 38.934 39.000 -0.085 0.000 0.984 249 F HN -0.025 nan 8.300 nan 0.000 0.477 250 M N -0.496 119.172 119.600 0.112 0.000 2.618 250 M HA -0.082 4.390 4.480 -0.013 0.000 0.240 250 M C 1.515 177.825 176.300 0.016 0.000 1.123 250 M CA 0.697 56.013 55.300 0.026 0.000 1.060 250 M CB -0.045 32.656 32.600 0.169 0.000 1.535 250 M HN 0.261 nan 8.290 nan 0.000 0.507 251 Q N -0.037 119.787 119.800 0.040 0.000 2.432 251 Q HA -0.024 4.308 4.340 -0.013 0.000 0.205 251 Q C -0.022 175.968 176.000 -0.017 0.000 0.945 251 Q CA 0.329 56.149 55.803 0.030 0.000 0.924 251 Q CB 0.199 28.975 28.738 0.064 0.000 1.016 251 Q HN 0.366 nan 8.270 nan 0.000 0.503 252 D N -0.896 119.471 120.400 -0.054 0.000 2.350 252 D HA 0.174 4.806 4.640 -0.013 0.000 0.249 252 D C 0.599 176.797 176.300 -0.170 0.000 1.119 252 D CA 0.096 54.004 54.000 -0.154 0.000 0.886 252 D CB 1.179 41.835 40.800 -0.241 0.000 1.195 252 D HN 0.127 nan 8.370 nan 0.000 0.437 253 A N 4.128 126.847 122.820 -0.169 0.000 1.933 253 A HA -0.185 4.127 4.320 -0.013 0.000 0.218 253 A C 2.053 179.579 177.584 -0.096 0.000 1.175 253 A CA 1.198 53.167 52.037 -0.113 0.000 0.628 253 A CB -0.273 18.665 19.000 -0.103 0.000 0.814 253 A HN 0.703 nan 8.150 nan 0.000 0.444 254 R N -0.685 119.725 120.500 -0.150 0.000 2.091 254 R HA -0.119 4.213 4.340 -0.013 0.000 0.238 254 R C 2.006 178.368 176.300 0.104 0.000 1.136 254 R CA 1.655 57.747 56.100 -0.014 0.000 0.959 254 R CB -0.520 29.757 30.300 -0.038 0.000 0.856 254 R HN 0.420 nan 8.270 nan 0.000 0.437 255 V N 0.576 120.471 119.914 -0.032 0.000 2.323 255 V HA -0.230 3.882 4.120 -0.013 0.000 0.244 255 V C 2.130 178.214 176.094 -0.017 0.000 1.041 255 V CA 1.640 63.900 62.300 -0.066 0.000 1.025 255 V CB -0.519 30.991 31.823 -0.521 0.000 0.656 255 V HN 0.271 nan 8.190 nan 0.000 0.451 256 Q N -0.221 119.559 119.800 -0.034 0.000 2.096 256 Q HA -0.333 3.999 4.340 -0.013 0.000 0.208 256 Q C 2.331 178.347 176.000 0.027 0.000 0.993 256 Q CA 2.512 58.317 55.803 0.003 0.000 0.862 256 Q CB -0.344 28.388 28.738 -0.010 0.000 0.915 256 Q HN 0.630 nan 8.270 nan 0.000 0.416 257 Q N 0.307 120.125 119.800 0.030 0.000 2.030 257 Q HA -0.142 4.190 4.340 -0.013 0.000 0.204 257 Q C 1.789 177.826 176.000 0.062 0.000 0.986 257 Q CA 1.615 57.443 55.803 0.042 0.000 0.843 257 Q CB -0.272 28.491 28.738 0.042 0.000 0.904 257 Q HN 0.456 nan 8.270 nan 0.000 0.420 258 L N -0.432 120.846 121.223 0.092 0.000 2.083 258 L HA -0.171 4.161 4.340 -0.013 0.000 0.209 258 L C 2.348 179.270 176.870 0.088 0.000 1.083 258 L CA 0.791 55.695 54.840 0.107 0.000 0.752 258 L CB -0.443 41.712 42.059 0.159 0.000 0.899 258 L HN 0.262 nan 8.230 nan 0.000 0.433 259 L N -0.767 120.506 121.223 0.083 0.000 2.005 259 L HA -0.187 4.145 4.340 -0.013 0.000 0.207 259 L C 2.883 179.792 176.870 0.065 0.000 1.072 259 L CA 1.136 56.027 54.840 0.086 0.000 0.744 259 L CB -0.497 41.620 42.059 0.098 0.000 0.895 259 L HN 0.200 nan 8.230 nan 0.000 0.433 260 R N 0.357 120.889 120.500 0.053 0.000 2.094 260 R HA -0.208 4.124 4.340 -0.013 0.000 0.239 260 R C 1.359 177.683 176.300 0.040 0.000 1.137 260 R CA 2.170 58.294 56.100 0.041 0.000 0.943 260 R CB -0.247 30.072 30.300 0.033 0.000 0.850 260 R HN 0.360 nan 8.270 nan 0.000 0.433 261 D N -0.022 120.405 120.400 0.046 0.000 2.363 261 D HA -0.022 4.611 4.640 -0.013 0.000 0.226 261 D C -0.073 176.258 176.300 0.051 0.000 1.020 261 D CA 0.361 54.388 54.000 0.045 0.000 0.892 261 D CB -0.377 40.452 40.800 0.048 0.000 0.900 261 D HN 0.290 nan 8.370 nan 0.000 0.531 262 N N -1.080 117.652 118.700 0.054 0.000 2.708 262 N HA -0.185 4.547 4.740 -0.013 0.000 0.249 262 N C 0.792 176.346 175.510 0.074 0.000 1.097 262 N CA 0.196 53.279 53.050 0.054 0.000 0.710 262 N CB -0.871 37.637 38.487 0.036 0.000 1.032 262 N HN 0.034 nan 8.380 nan 0.000 0.551 263 V N -0.339 119.628 119.914 0.089 0.000 2.346 263 V HA -0.005 4.108 4.120 -0.013 0.000 0.244 263 V C 1.204 177.359 176.094 0.102 0.000 1.037 263 V CA 1.861 64.234 62.300 0.122 0.000 1.029 263 V CB -0.319 31.587 31.823 0.138 0.000 0.663 263 V HN 0.489 nan 8.190 nan 0.000 0.454 264 I N -2.086 118.512 120.570 0.048 0.000 2.797 264 I HA 0.612 4.774 4.170 -0.013 0.000 0.307 264 I C -0.317 175.852 176.117 0.087 0.000 1.033 264 I CA -0.883 60.418 61.300 0.002 0.000 1.071 264 I CB 1.936 39.850 38.000 -0.143 0.000 1.255 264 I HN -0.140 nan 8.210 nan 0.000 0.445 265 R N 2.399 122.968 120.500 0.115 0.000 2.534 265 R HA 0.271 4.603 4.340 -0.013 0.000 0.301 265 R C -1.410 175.006 176.300 0.193 0.000 0.961 265 R CA -0.776 55.394 56.100 0.116 0.000 0.871 265 R CB 1.746 32.062 30.300 0.026 0.000 1.170 265 R HN 0.724 nan 8.270 nan 0.000 0.446 266 D N 3.992 124.496 120.400 0.173 0.000 2.325 266 D HA 0.057 4.689 4.640 -0.013 0.000 0.251 266 D C 0.549 176.781 176.300 -0.113 0.000 1.196 266 D CA -0.071 53.942 54.000 0.022 0.000 0.866 266 D CB 0.920 41.813 40.800 0.155 0.000 1.101 266 D HN 0.469 nan 8.370 nan 0.000 0.476 267 L N 3.320 124.383 121.223 -0.268 0.000 2.607 267 L HA 0.334 4.666 4.340 -0.013 0.000 0.228 267 L C 1.493 178.158 176.870 -0.342 0.000 1.123 267 L CA 0.039 54.736 54.840 -0.239 0.000 0.890 267 L CB -0.668 41.270 42.059 -0.201 0.000 1.103 267 L HN 0.703 nan 8.230 nan 0.000 0.468 268 G N 0.631 109.114 108.800 -0.528 0.000 2.750 268 G HA2 -0.304 3.648 3.960 -0.013 0.000 0.228 268 G HA3 -0.304 3.648 3.960 -0.013 0.000 0.228 268 G C -0.185 174.178 174.900 -0.893 0.000 1.367 268 G CA -0.524 44.158 45.100 -0.697 0.000 0.871 268 G HN 0.306 nan 8.290 nan 0.000 0.560 269 Q N 0.634 120.097 119.800 -0.561 0.000 3.004 269 Q HA 0.361 4.693 4.340 -0.013 0.000 0.256 269 Q C 1.311 177.171 176.000 -0.234 0.000 1.387 269 Q CA 0.458 56.061 55.803 -0.333 0.000 0.962 269 Q CB -0.093 28.563 28.738 -0.136 0.000 1.676 269 Q HN 0.789 nan 8.270 nan 0.000 0.568 270 S N -1.574 113.972 115.700 -0.257 0.000 2.603 270 S HA 0.201 4.663 4.470 -0.013 0.000 0.232 270 S C 0.913 175.417 174.600 -0.159 0.000 1.016 270 S CA -0.248 57.842 58.200 -0.183 0.000 0.976 270 S CB 0.785 63.877 63.200 -0.180 0.000 0.921 270 S HN 0.447 nan 8.310 nan 0.000 0.516 271 G N 1.594 110.287 108.800 -0.177 0.000 2.516 271 G HA2 0.432 4.384 3.960 -0.013 0.000 0.276 271 G HA3 0.432 4.384 3.960 -0.013 0.000 0.276 271 G C -0.292 174.516 174.900 -0.154 0.000 1.390 271 G CA -1.153 43.852 45.100 -0.158 0.000 1.050 271 G HN 0.416 nan 8.290 nan 0.000 0.519 272 R N -1.280 119.121 120.500 -0.164 0.000 2.570 272 R HA 0.181 4.513 4.340 -0.013 0.000 0.277 272 R C -0.359 175.849 176.300 -0.153 0.000 1.039 272 R CA -0.314 55.684 56.100 -0.169 0.000 1.065 272 R CB 0.652 30.825 30.300 -0.211 0.000 0.964 272 R HN 0.131 nan 8.270 nan 0.000 0.428 273 V N 3.218 123.068 119.914 -0.106 0.000 2.439 273 V HA 0.349 4.461 4.120 -0.013 0.000 0.271 273 V C 0.461 176.554 176.094 -0.002 0.000 1.040 273 V CA 0.109 62.380 62.300 -0.050 0.000 1.002 273 V CB 0.624 32.429 31.823 -0.030 0.000 1.000 273 V HN 0.928 nan 8.190 nan 0.000 0.477 274 A N 4.340 127.220 122.820 0.100 0.000 2.485 274 A HA 0.886 5.198 4.320 -0.013 0.000 0.292 274 A C -0.397 177.498 177.584 0.519 0.000 1.147 274 A CA -0.634 51.565 52.037 0.270 0.000 0.750 274 A CB 1.973 21.149 19.000 0.292 0.000 1.331 274 A HN 0.595 nan 8.150 nan 0.000 0.419 275 S N 1.846 117.833 115.700 0.480 0.000 2.498 275 S HA 0.611 5.073 4.470 -0.013 0.000 0.317 275 S C -2.796 171.910 174.600 0.178 0.000 1.090 275 S CA -0.954 57.439 58.200 0.322 0.000 1.089 275 S CB 1.320 64.684 63.200 0.274 0.000 0.997 275 S HN 0.477 nan 8.310 nan 0.000 0.470 276 P HA 0.148 nan 4.420 nan 0.000 0.268 276 P C 0.278 177.500 177.300 -0.131 0.000 1.205 276 P CA -0.186 62.608 63.100 -0.509 0.000 0.771 276 P CB 0.372 31.697 31.700 -0.625 0.000 0.858 277 T N -0.984 113.532 114.554 -0.063 0.000 2.852 277 T HA 0.478 4.821 4.350 -0.013 0.000 0.281 277 T C 1.471 176.137 174.700 -0.056 0.000 0.993 277 T CA -0.115 61.972 62.100 -0.022 0.000 0.933 277 T CB 0.220 69.131 68.868 0.073 0.000 1.187 277 T HN 0.241 nan 8.240 nan 0.000 0.559 278 A N 0.691 123.468 122.820 -0.073 0.000 2.032 278 A HA -0.059 4.253 4.320 -0.013 0.000 0.221 278 A C 2.446 180.009 177.584 -0.035 0.000 1.165 278 A CA 2.137 54.133 52.037 -0.068 0.000 0.645 278 A CB -1.479 17.465 19.000 -0.094 0.000 0.807 278 A HN 1.145 nan 8.150 nan 0.000 0.453 279 S N -1.447 114.241 115.700 -0.021 0.000 2.603 279 S HA 0.170 4.632 4.470 -0.013 0.000 0.220 279 S C 1.149 175.752 174.600 0.005 0.000 0.967 279 S CA 0.490 58.687 58.200 -0.005 0.000 0.920 279 S CB -0.351 62.855 63.200 0.011 0.000 0.773 279 S HN 0.715 nan 8.310 nan 0.000 0.529 280 I N -0.197 120.369 120.570 -0.006 0.000 4.351 280 I HA -0.332 3.830 4.170 -0.013 0.000 0.070 280 I C 1.257 177.381 176.117 0.011 0.000 0.576 280 I CA 2.150 63.465 61.300 0.026 0.000 1.120 280 I CB -2.052 36.004 38.000 0.092 0.000 0.998 280 I HN 0.621 nan 8.210 nan 0.000 0.169 281 R N 1.478 122.026 120.500 0.081 0.000 2.393 281 R HA 0.416 4.748 4.340 -0.013 0.000 0.244 281 R C 0.138 176.606 176.300 0.281 0.000 0.920 281 R CA 0.387 56.635 56.100 0.247 0.000 1.076 281 R CB -0.542 29.889 30.300 0.218 0.000 1.119 281 R HN 0.340 nan 8.270 nan 0.000 0.524 282 T N 0.902 115.535 114.554 0.132 0.000 2.779 282 T HA 0.417 4.760 4.350 -0.013 0.000 0.280 282 T C -1.206 173.634 174.700 0.233 0.000 0.987 282 T CA -0.416 61.840 62.100 0.260 0.000 0.966 282 T CB 0.706 69.665 68.868 0.151 0.000 0.933 282 T HN 0.189 nan 8.240 nan 0.000 0.442 283 W N 2.725 124.220 121.300 0.326 0.000 2.551 283 W HA 0.667 5.320 4.660 -0.012 0.000 0.330 283 W C -0.483 176.303 176.519 0.445 0.000 1.063 283 W CA -1.243 56.300 57.345 0.329 0.000 1.222 283 W CB 0.765 30.350 29.460 0.208 0.000 1.349 283 W HN 0.576 nan 8.180 nan 0.000 0.536 284 F N 3.873 124.082 119.950 0.433 0.000 2.469 284 F HA 0.741 5.260 4.527 -0.012 0.000 0.332 284 F C -0.642 175.221 175.800 0.106 0.000 1.103 284 F CA -1.014 57.095 58.000 0.182 0.000 0.979 284 F CB 0.720 39.837 39.000 0.196 0.000 1.137 284 F HN 0.138 nan 8.300 nan 0.000 0.463 285 I N 5.970 126.021 120.570 -0.865 0.000 2.497 285 I HA 0.167 4.329 4.170 -0.013 0.000 0.284 285 I C -1.184 174.308 176.117 -1.041 0.000 1.060 285 I CA -0.955 59.948 61.300 -0.662 0.000 1.071 285 I CB 1.509 39.333 38.000 -0.293 0.000 1.216 285 I HN 0.512 nan 8.210 nan 0.000 0.442 286 D N 5.633 125.512 120.400 -0.869 0.000 2.458 286 D HA 0.013 4.645 4.640 -0.013 0.000 0.243 286 D C 0.477 176.595 176.300 -0.303 0.000 1.146 286 D CA 0.305 53.996 54.000 -0.515 0.000 0.877 286 D CB 1.322 42.086 40.800 -0.060 0.000 1.176 286 D HN 0.840 nan 8.370 nan 0.000 0.461 287 D N -0.467 119.787 120.400 -0.244 0.000 2.330 287 D HA -0.255 4.377 4.640 -0.013 0.000 0.168 287 D C -0.317 175.898 176.300 -0.143 0.000 0.992 287 D CA 1.113 55.018 54.000 -0.158 0.000 1.025 287 D CB -2.014 38.723 40.800 -0.104 0.000 1.089 287 D HN 0.629 nan 8.370 nan 0.000 0.487 288 H N 0.981 119.849 119.070 -0.336 0.000 2.482 288 H HA 0.485 5.033 4.556 -0.013 0.000 0.344 288 H C 0.744 175.837 175.328 -0.392 0.000 1.151 288 H CA 0.478 56.344 56.048 -0.303 0.000 1.300 288 H CB 1.129 30.729 29.762 -0.269 0.000 1.494 288 H HN -0.119 nan 8.280 nan 0.000 0.542 289 D N 2.265 122.108 120.400 -0.928 0.000 2.350 289 D HA -0.080 4.552 4.640 -0.013 0.000 0.216 289 D C -0.419 175.108 176.300 -1.288 0.000 0.968 289 D CA 1.174 54.516 54.000 -1.098 0.000 0.894 289 D CB 0.036 40.049 40.800 -1.311 0.000 0.909 289 D HN 0.407 nan 8.370 nan 0.000 0.520 290 Y N -1.508 118.437 120.300 -0.591 0.000 2.504 290 Y HA 0.331 4.873 4.550 -0.013 0.000 0.344 290 Y C -0.138 175.673 175.900 -0.148 0.000 1.023 290 Y CA -1.306 56.619 58.100 -0.292 0.000 1.020 290 Y CB 1.113 39.399 38.460 -0.290 0.000 1.282 290 Y HN -0.337 nan 8.280 nan 0.000 0.454 291 F N 2.468 122.491 119.950 0.122 0.000 2.406 291 F HA 0.417 4.936 4.527 -0.014 0.000 0.327 291 F C 0.170 176.088 175.800 0.196 0.000 1.153 291 F CA -0.177 57.937 58.000 0.190 0.000 1.218 291 F CB 0.521 39.642 39.000 0.202 0.000 1.215 291 F HN 0.179 nan 8.300 nan 0.000 0.570 292 I N 2.224 123.081 120.570 0.477 0.000 2.382 292 I HA 0.259 4.422 4.170 -0.013 0.000 0.286 292 I C -0.506 175.904 176.117 0.488 0.000 1.002 292 I CA -0.685 60.859 61.300 0.407 0.000 1.135 292 I CB 1.616 39.816 38.000 0.333 0.000 1.288 292 I HN 0.481 nan 8.210 nan 0.000 0.448 293 K N 5.270 125.912 120.400 0.404 0.000 2.206 293 K HA 0.770 5.082 4.320 -0.013 0.000 0.264 293 K C -0.470 176.311 176.600 0.302 0.000 0.967 293 K CA -0.404 56.086 56.287 0.338 0.000 0.844 293 K CB 1.841 34.468 32.500 0.212 0.000 1.099 293 K HN 0.773 nan 8.250 nan 0.000 0.441 294 G N 1.151 110.124 108.800 0.288 0.000 2.658 294 G HA2 0.329 4.281 3.960 -0.013 0.000 0.292 294 G HA3 0.329 4.281 3.960 -0.013 0.000 0.292 294 G C -1.181 173.798 174.900 0.131 0.000 1.320 294 G CA -0.740 44.470 45.100 0.183 0.000 0.933 294 G HN 0.555 nan 8.290 nan 0.000 0.476 295 S N -0.925 114.799 115.700 0.040 0.000 2.564 295 S HA 0.444 4.906 4.470 -0.013 0.000 0.278 295 S C -0.537 174.066 174.600 0.005 0.000 1.333 295 S CA -0.030 58.166 58.200 -0.007 0.000 1.048 295 S CB 1.123 64.272 63.200 -0.085 0.000 0.900 295 S HN 0.598 nan 8.310 nan 0.000 0.505 296 L N 3.480 124.688 121.223 -0.026 0.000 2.482 296 L HA 0.467 4.799 4.340 -0.013 0.000 0.269 296 L C -1.052 175.760 176.870 -0.098 0.000 0.967 296 L CA -0.417 54.375 54.840 -0.079 0.000 0.851 296 L CB 1.483 43.474 42.059 -0.114 0.000 1.242 296 L HN 0.399 nan 8.230 nan 0.000 0.404 297 N N 4.305 122.949 118.700 -0.092 0.000 3.254 297 N HA 0.305 5.037 4.740 -0.013 0.000 0.308 297 N C -1.061 174.387 175.510 -0.103 0.000 1.281 297 N CA 0.210 53.215 53.050 -0.074 0.000 1.212 297 N CB 0.138 38.605 38.487 -0.032 0.000 1.478 297 N HN 0.322 nan 8.380 nan 0.000 0.548 298 V N -0.021 119.798 119.914 -0.158 0.000 2.971 298 V HA 0.378 4.490 4.120 -0.013 0.000 0.309 298 V C 0.115 176.084 176.094 -0.207 0.000 1.130 298 V CA -1.099 61.056 62.300 -0.242 0.000 0.964 298 V CB 3.202 34.745 31.823 -0.467 0.000 1.029 298 V HN 0.223 nan 8.190 nan 0.000 0.427 299 R N 3.612 123.997 120.500 -0.192 0.000 2.254 299 R HA 0.600 4.932 4.340 -0.013 0.000 0.318 299 R C -1.431 174.769 176.300 -0.167 0.000 1.031 299 R CA -0.406 55.611 56.100 -0.138 0.000 0.905 299 R CB 0.661 30.909 30.300 -0.086 0.000 1.050 299 R HN 0.562 nan 8.270 nan 0.000 0.456 300 I N 5.095 125.586 120.570 -0.132 0.000 2.466 300 I HA 0.147 4.309 4.170 -0.013 0.000 0.289 300 I C 1.164 177.211 176.117 -0.118 0.000 1.026 300 I CA -0.137 61.082 61.300 -0.135 0.000 1.078 300 I CB 0.956 38.883 38.000 -0.122 0.000 1.249 300 I HN 1.042 nan 8.210 nan 0.000 0.429 301 T N 4.394 118.841 114.554 -0.179 0.000 13.588 301 T HA -0.387 3.955 4.350 -0.013 0.000 0.411 301 T C 1.181 175.869 174.700 -0.020 0.000 1.448 301 T CA 1.850 63.772 62.100 -0.296 0.000 2.302 301 T CB -0.916 67.654 68.868 -0.495 0.000 2.729 301 T HN 0.504 nan 8.240 nan 0.000 0.423 302 N N 1.614 120.337 118.700 0.039 0.000 2.376 302 N HA 0.210 4.942 4.740 -0.013 0.000 0.177 302 N C 0.374 175.898 175.510 0.023 0.000 1.024 302 N CA 0.988 54.082 53.050 0.073 0.000 0.893 302 N CB -0.460 38.068 38.487 0.068 0.000 0.980 302 N HN 0.762 nan 8.380 nan 0.000 0.439 303 C N 0.483 119.785 119.300 0.003 0.000 2.456 303 C HA 0.490 4.942 4.460 -0.013 0.000 0.325 303 C C 0.480 175.455 174.990 -0.026 0.000 1.217 303 C CA -1.315 57.702 59.018 -0.001 0.000 1.687 303 C CB 1.923 29.671 27.740 0.012 0.000 2.270 303 C HN -0.059 nan 8.230 nan 0.000 0.499 304 V N 4.241 124.140 119.914 -0.025 0.000 2.479 304 V HA 0.113 4.225 4.120 -0.013 0.000 0.281 304 V C 0.906 176.976 176.094 -0.040 0.000 1.031 304 V CA 0.332 62.606 62.300 -0.043 0.000 1.038 304 V CB 0.054 31.858 31.823 -0.030 0.000 0.981 304 V HN 0.720 nan 8.190 nan 0.000 0.478 305 R N 5.023 125.488 120.500 -0.057 0.000 4.680 305 R HA 0.171 4.503 4.340 -0.013 0.000 0.222 305 R C 0.300 176.579 176.300 -0.035 0.000 1.803 305 R CA -0.062 56.015 56.100 -0.039 0.000 1.560 305 R CB -0.577 29.698 30.300 -0.041 0.000 1.412 305 R HN 0.781 nan 8.270 nan 0.000 0.815 306 K N -0.193 120.181 120.400 -0.043 0.000 2.267 306 K HA 0.408 4.720 4.320 -0.013 0.000 0.246 306 K C -0.637 175.921 176.600 -0.070 0.000 0.954 306 K CA -0.927 55.325 56.287 -0.059 0.000 0.824 306 K CB 1.706 34.160 32.500 -0.076 0.000 1.167 306 K HN -0.189 nan 8.250 nan 0.000 0.431 307 N N 0.989 119.635 118.700 -0.091 0.000 2.476 307 N HA 0.257 4.989 4.740 -0.013 0.000 0.257 307 N C -0.788 174.599 175.510 -0.205 0.000 0.970 307 N CA -0.458 52.517 53.050 -0.126 0.000 0.938 307 N CB 1.783 40.223 38.487 -0.079 0.000 1.144 307 N HN 0.790 nan 8.380 nan 0.000 0.500 308 A N 2.152 124.759 122.820 -0.355 0.000 2.366 308 A HA 0.128 4.440 4.320 -0.013 0.000 0.249 308 A C 1.487 178.700 177.584 -0.619 0.000 1.084 308 A CA -0.686 51.024 52.037 -0.545 0.000 0.794 308 A CB 0.117 18.542 19.000 -0.958 0.000 1.034 308 A HN 0.873 nan 8.150 nan 0.000 0.491 309 W N 1.245 122.234 121.300 -0.519 0.000 2.321 309 W HA -0.342 4.310 4.660 -0.013 0.000 0.306 309 W C 1.362 177.699 176.519 -0.302 0.000 1.217 309 W CA 2.130 59.262 57.345 -0.355 0.000 1.257 309 W CB -1.282 27.989 29.460 -0.315 0.000 1.145 309 W HN 0.899 nan 8.180 nan 0.000 0.509 310 Y N 0.382 119.893 120.300 -1.316 0.000 2.439 310 Y HA 0.119 4.661 4.550 -0.013 0.000 0.292 310 Y C 2.211 177.814 175.900 -0.494 0.000 1.130 310 Y CA 1.449 58.819 58.100 -1.217 0.000 1.254 310 Y CB -1.278 36.297 38.460 -1.476 0.000 1.000 310 Y HN 0.040 nan 8.280 nan 0.000 0.554 311 E N 1.085 120.951 120.200 -0.557 0.000 2.112 311 E HA -0.068 4.274 4.350 -0.013 0.000 0.190 311 E C 2.065 178.590 176.600 -0.125 0.000 0.979 311 E CA 0.990 57.248 56.400 -0.237 0.000 0.814 311 E CB -0.167 29.368 29.700 -0.276 0.000 0.762 311 E HN 0.500 nan 8.360 nan 0.000 0.460 312 L N 1.321 122.459 121.223 -0.142 0.000 2.042 312 L HA -0.212 4.120 4.340 -0.013 0.000 0.210 312 L C 2.380 179.267 176.870 0.028 0.000 1.076 312 L CA 1.149 55.975 54.840 -0.023 0.000 0.749 312 L CB -0.447 41.612 42.059 -0.001 0.000 0.893 312 L HN 0.129 nan 8.230 nan 0.000 0.432 313 E N -0.003 120.205 120.200 0.013 0.000 2.106 313 E HA -0.162 4.180 4.350 -0.013 0.000 0.192 313 E C 2.357 178.991 176.600 0.057 0.000 0.984 313 E CA 1.581 58.020 56.400 0.066 0.000 0.806 313 E CB -0.135 29.619 29.700 0.091 0.000 0.750 313 E HN 0.574 nan 8.360 nan 0.000 0.458 314 S N 0.640 116.354 115.700 0.024 0.000 2.423 314 S HA -0.097 4.365 4.470 -0.013 0.000 0.231 314 S C 2.093 176.738 174.600 0.074 0.000 1.014 314 S CA 1.320 59.544 58.200 0.040 0.000 0.965 314 S CB -0.428 62.786 63.200 0.024 0.000 0.785 314 S HN 0.066 nan 8.310 nan 0.000 0.495 315 T N 2.619 117.232 114.554 0.099 0.000 2.708 315 T HA -0.054 4.288 4.350 -0.013 0.000 0.266 315 T C 1.901 176.719 174.700 0.197 0.000 1.037 315 T CA 1.582 63.787 62.100 0.175 0.000 1.146 315 T CB -0.667 68.293 68.868 0.154 0.000 0.865 315 T HN 0.324 nan 8.240 nan 0.000 0.435 316 V N 1.772 121.773 119.914 0.144 0.000 2.287 316 V HA -0.165 3.947 4.120 -0.013 0.000 0.248 316 V C 2.519 178.679 176.094 0.111 0.000 1.053 316 V CA 1.607 63.987 62.300 0.133 0.000 1.027 316 V CB -0.819 31.072 31.823 0.113 0.000 0.646 316 V HN 0.444 nan 8.190 nan 0.000 0.447 317 L N -0.794 120.481 121.223 0.086 0.000 2.056 317 L HA -0.151 4.181 4.340 -0.013 0.000 0.207 317 L C 2.521 179.399 176.870 0.014 0.000 1.078 317 L CA 1.208 56.079 54.840 0.052 0.000 0.749 317 L CB -0.590 41.497 42.059 0.046 0.000 0.901 317 L HN 0.253 nan 8.230 nan 0.000 0.433 318 I N 0.342 120.917 120.570 0.009 0.000 2.179 318 I HA -0.304 3.859 4.170 -0.013 0.000 0.242 318 I C 2.248 178.319 176.117 -0.077 0.000 1.088 318 I CA 1.715 62.963 61.300 -0.087 0.000 1.357 318 I CB -1.062 36.865 38.000 -0.121 0.000 1.051 318 I HN 0.324 nan 8.210 nan 0.000 0.409 319 D N 0.580 121.035 120.400 0.092 0.000 2.104 319 D HA -0.238 4.394 4.640 -0.013 0.000 0.194 319 D C 2.422 178.816 176.300 0.156 0.000 0.994 319 D CA 1.323 55.476 54.000 0.256 0.000 0.830 319 D CB 0.024 41.050 40.800 0.378 0.000 0.959 319 D HN 0.082 nan 8.370 nan 0.000 0.452 320 R N -0.682 119.873 120.500 0.092 0.000 2.083 320 R HA -0.149 4.183 4.340 -0.013 0.000 0.237 320 R C 2.260 178.549 176.300 -0.018 0.000 1.137 320 R CA 1.183 57.311 56.100 0.046 0.000 0.951 320 R CB -0.467 29.857 30.300 0.040 0.000 0.851 320 R HN 0.251 nan 8.270 nan 0.000 0.434 321 L N 0.023 121.191 121.223 -0.092 0.000 2.012 321 L HA -0.137 4.195 4.340 -0.013 0.000 0.210 321 L C 1.778 178.453 176.870 -0.325 0.000 1.073 321 L CA 1.774 56.453 54.840 -0.268 0.000 0.748 321 L CB -0.626 41.191 42.059 -0.404 0.000 0.891 321 L HN 0.117 nan 8.230 nan 0.000 0.431 322 F N -0.330 119.463 119.950 -0.261 0.000 2.171 322 F HA -0.187 4.332 4.527 -0.013 0.000 0.300 322 F C 2.719 178.446 175.800 -0.122 0.000 1.090 322 F CA 1.674 59.543 58.000 -0.217 0.000 1.293 322 F CB -0.392 38.477 39.000 -0.218 0.000 1.013 322 F HN 0.106 nan 8.300 nan 0.000 0.486 323 R N 0.657 121.217 120.500 0.100 0.000 2.092 323 R HA -0.172 4.160 4.340 -0.013 0.000 0.231 323 R C 2.188 178.479 176.300 -0.015 0.000 1.119 323 R CA 1.614 57.746 56.100 0.054 0.000 0.970 323 R CB -0.650 29.688 30.300 0.063 0.000 0.864 323 R HN 0.390 nan 8.270 nan 0.000 0.440 324 Q N 0.052 119.816 119.800 -0.059 0.000 2.084 324 Q HA -0.148 4.184 4.340 -0.013 0.000 0.202 324 Q C 1.975 177.901 176.000 -0.123 0.000 0.978 324 Q CA 1.765 57.516 55.803 -0.087 0.000 0.844 324 Q CB -0.075 28.610 28.738 -0.089 0.000 0.898 324 Q HN 0.465 nan 8.270 nan 0.000 0.426 325 L N 0.321 121.437 121.223 -0.179 0.000 2.056 325 L HA -0.198 4.134 4.340 -0.013 0.000 0.207 325 L C 2.495 179.303 176.870 -0.104 0.000 1.078 325 L CA 0.799 55.531 54.840 -0.180 0.000 0.749 325 L CB -0.365 41.436 42.059 -0.430 0.000 0.901 325 L HN 0.299 nan 8.230 nan 0.000 0.433 326 L N -0.529 120.657 121.223 -0.062 0.000 2.056 326 L HA -0.219 4.113 4.340 -0.013 0.000 0.207 326 L C 2.248 179.092 176.870 -0.044 0.000 1.078 326 L CA 1.068 55.895 54.840 -0.021 0.000 0.749 326 L CB -0.569 41.505 42.059 0.024 0.000 0.901 326 L HN 0.244 nan 8.230 nan 0.000 0.433 327 D N -0.379 119.984 120.400 -0.061 0.000 2.123 327 D HA -0.206 4.426 4.640 -0.013 0.000 0.196 327 D C 2.182 178.402 176.300 -0.133 0.000 0.992 327 D CA 1.367 55.322 54.000 -0.075 0.000 0.833 327 D CB 0.034 40.795 40.800 -0.065 0.000 0.954 327 D HN 0.406 nan 8.370 nan 0.000 0.455 328 Q N -1.721 117.929 119.800 -0.251 0.000 2.353 328 Q HA 0.116 4.448 4.340 -0.013 0.000 0.240 328 Q C 0.376 176.047 176.000 -0.549 0.000 0.868 328 Q CA 0.219 55.740 55.803 -0.470 0.000 0.944 328 Q CB 0.741 29.046 28.738 -0.723 0.000 1.104 328 Q HN 0.404 nan 8.270 nan 0.000 0.531 329 H N -1.702 117.364 119.070 -0.007 0.000 2.777 329 H HA 0.363 4.911 4.556 -0.013 0.000 0.244 329 H C 0.967 176.307 175.328 0.021 0.000 1.185 329 H CA 0.164 56.228 56.048 0.028 0.000 0.945 329 H CB 0.880 30.676 29.762 0.057 0.000 1.994 329 H HN 0.173 nan 8.280 nan 0.000 0.638 330 A N 1.267 124.127 122.820 0.068 0.000 1.986 330 A HA -0.248 4.064 4.320 -0.013 0.000 0.220 330 A C 2.086 179.713 177.584 0.073 0.000 1.171 330 A CA 1.962 54.030 52.037 0.051 0.000 0.640 330 A CB -0.267 18.747 19.000 0.023 0.000 0.811 330 A HN 0.667 nan 8.150 nan 0.000 0.451 331 D N -0.465 119.985 120.400 0.084 0.000 2.378 331 D HA -0.113 4.519 4.640 -0.013 0.000 0.222 331 D C 1.169 177.527 176.300 0.097 0.000 0.980 331 D CA 1.598 55.643 54.000 0.076 0.000 0.907 331 D CB -0.650 40.189 40.800 0.065 0.000 0.899 331 D HN 0.508 nan 8.370 nan 0.000 0.527 332 T N -2.445 112.198 114.554 0.149 0.000 3.182 332 T HA 0.300 4.643 4.350 -0.013 0.000 0.277 332 T C 1.509 176.336 174.700 0.211 0.000 1.013 332 T CA -0.470 61.735 62.100 0.175 0.000 0.900 332 T CB -0.275 68.717 68.868 0.207 0.000 1.098 332 T HN 0.092 nan 8.240 nan 0.000 0.543 333 L N 0.497 121.806 121.223 0.143 0.000 2.616 333 L HA 0.424 4.756 4.340 -0.013 0.000 0.229 333 L C 1.846 178.768 176.870 0.088 0.000 1.110 333 L CA 0.285 55.191 54.840 0.111 0.000 0.884 333 L CB -0.195 41.898 42.059 0.058 0.000 1.115 333 L HN 0.581 nan 8.230 nan 0.000 0.481 334 G N 0.618 109.462 108.800 0.073 0.000 2.176 334 G HA2 -0.223 3.729 3.960 -0.013 0.000 0.252 334 G HA3 -0.223 3.729 3.960 -0.013 0.000 0.252 334 G C 0.871 175.781 174.900 0.016 0.000 1.024 334 G CA 0.332 45.460 45.100 0.048 0.000 0.755 334 G HN 0.675 nan 8.290 nan 0.000 0.507 335 G N -1.718 107.091 108.800 0.015 0.000 2.204 335 G HA2 0.046 3.998 3.960 -0.013 0.000 0.244 335 G HA3 0.046 3.998 3.960 -0.013 0.000 0.244 335 G C 0.415 175.309 174.900 -0.011 0.000 1.062 335 G CA 0.396 45.492 45.100 -0.006 0.000 0.798 335 G HN 1.994 nan 8.290 nan 0.000 0.496 336 L N 0.617 121.849 121.223 0.016 0.000 2.584 336 L HA 0.503 4.835 4.340 -0.013 0.000 0.272 336 L C 0.317 177.189 176.870 0.004 0.000 1.195 336 L CA 0.133 54.988 54.840 0.024 0.000 0.920 336 L CB 0.982 43.090 42.059 0.082 0.000 1.173 336 L HN 0.181 nan 8.230 nan 0.000 0.489 337 V N 6.200 126.095 119.914 -0.033 0.000 2.334 337 V HA 0.821 4.933 4.120 -0.013 0.000 0.281 337 V C 0.257 176.296 176.094 -0.091 0.000 1.016 337 V CA -0.017 62.248 62.300 -0.060 0.000 0.832 337 V CB 0.677 32.446 31.823 -0.091 0.000 0.999 337 V HN 1.025 nan 8.190 nan 0.000 0.439 338 A N 3.958 126.727 122.820 -0.086 0.000 2.435 338 A HA 0.936 5.248 4.320 -0.013 0.000 0.304 338 A C -0.106 177.408 177.584 -0.117 0.000 1.064 338 A CA -0.458 51.496 52.037 -0.138 0.000 0.727 338 A CB 1.694 20.560 19.000 -0.223 0.000 1.284 338 A HN 1.243 nan 8.150 nan 0.000 0.415 339 A N 1.346 124.062 122.820 -0.173 0.000 2.354 339 A HA 0.633 4.945 4.320 -0.013 0.000 0.281 339 A C 0.772 178.205 177.584 -0.252 0.000 1.174 339 A CA 0.306 52.284 52.037 -0.099 0.000 0.828 339 A CB -0.290 18.717 19.000 0.011 0.000 1.099 339 A HN 2.181 nan 8.150 nan 0.000 0.516 340 A N 2.697 125.464 122.820 -0.088 0.000 2.386 340 A HA 0.483 4.795 4.320 -0.013 0.000 0.246 340 A C 0.293 177.754 177.584 -0.205 0.000 1.089 340 A CA -0.064 51.938 52.037 -0.057 0.000 0.790 340 A CB 0.134 19.190 19.000 0.093 0.000 1.042 340 A HN 0.799 nan 8.150 nan 0.000 0.497 341 E N 0.965 121.091 120.200 -0.124 0.000 3.108 341 E HA 0.194 4.536 4.350 -0.013 0.000 0.228 341 E C -2.197 174.447 176.600 0.074 0.000 1.176 341 E CA -1.409 54.937 56.400 -0.090 0.000 0.881 341 E CB 1.373 30.936 29.700 -0.229 0.000 1.354 341 E HN 0.515 nan 8.360 nan 0.000 0.400 342 P HA 0.061 nan 4.420 nan 0.000 0.245 342 P C 0.356 177.665 177.300 0.015 0.000 1.206 342 P CA 0.299 63.435 63.100 0.062 0.000 0.781 342 P CB 0.771 32.512 31.700 0.068 0.000 0.994 343 G N -0.619 108.159 108.800 -0.036 0.000 2.638 343 G HA2 0.546 4.498 3.960 -0.013 0.000 0.302 343 G HA3 0.546 4.498 3.960 -0.013 0.000 0.302 343 G C -1.779 173.185 174.900 0.106 0.000 1.365 343 G CA -0.293 44.799 45.100 -0.012 0.000 0.987 343 G HN -0.110 nan 8.290 nan 0.000 0.495 344 V N 0.956 120.980 119.914 0.183 0.000 2.841 344 V HA 0.768 4.880 4.120 -0.013 0.000 0.310 344 V C -0.764 175.460 176.094 0.217 0.000 1.090 344 V CA -0.845 61.591 62.300 0.226 0.000 0.930 344 V CB 1.825 33.739 31.823 0.151 0.000 1.014 344 V HN 0.757 nan 8.190 nan 0.000 0.425 345 V N 3.503 123.500 119.914 0.139 0.000 2.925 345 V HA 0.979 5.091 4.120 -0.013 0.000 0.311 345 V C -0.530 175.563 176.094 -0.002 0.000 1.104 345 V CA 0.220 62.543 62.300 0.038 0.000 0.954 345 V CB 2.580 34.340 31.823 -0.105 0.000 1.022 345 V HN 1.237 nan 8.190 nan 0.000 0.427 346 S N 4.150 119.904 115.700 0.089 0.000 2.615 346 S HA 0.770 5.232 4.470 -0.013 0.000 0.269 346 S C -1.663 173.103 174.600 0.277 0.000 1.161 346 S CA -0.753 57.515 58.200 0.113 0.000 0.817 346 S CB 1.740 64.984 63.200 0.073 0.000 1.131 346 S HN 1.278 nan 8.310 nan 0.000 0.467 347 W N 1.355 122.706 121.300 0.085 0.000 3.138 347 W HA 0.712 5.364 4.660 -0.013 0.000 0.331 347 W C -1.090 175.513 176.519 0.140 0.000 1.166 347 W CA 0.060 57.472 57.345 0.111 0.000 1.212 347 W CB 2.009 31.480 29.460 0.018 0.000 1.399 347 W HN 1.255 nan 8.180 nan 0.000 0.514 348 S N 4.103 119.251 115.700 -0.920 0.000 2.579 348 S HA 0.696 5.158 4.470 -0.013 0.000 0.272 348 S C -3.123 170.429 174.600 -1.746 0.000 1.141 348 S CA -1.648 55.893 58.200 -1.098 0.000 0.843 348 S CB 2.231 65.242 63.200 -0.315 0.000 1.122 348 S HN 0.202 nan 8.310 nan 0.000 0.468 349 P HA 0.269 nan 4.420 nan 0.000 0.268 349 P C 0.718 177.704 177.300 -0.524 0.000 1.204 349 P CA -0.052 62.517 63.100 -0.884 0.000 0.768 349 P CB 0.404 31.797 31.700 -0.511 0.000 0.842 350 A N 3.954 126.557 122.820 -0.362 0.000 2.024 350 A HA -0.158 4.154 4.320 -0.013 0.000 0.220 350 A C 1.989 179.473 177.584 -0.168 0.000 1.164 350 A CA 2.113 54.007 52.037 -0.239 0.000 0.643 350 A CB -1.323 17.578 19.000 -0.164 0.000 0.806 350 A HN 0.555 nan 8.150 nan 0.000 0.451 351 A N -0.643 122.087 122.820 -0.150 0.000 2.081 351 A HA 0.581 4.893 4.320 -0.013 0.000 0.214 351 A C 1.446 178.966 177.584 -0.106 0.000 1.158 351 A CA 0.734 52.709 52.037 -0.104 0.000 0.724 351 A CB -0.776 18.180 19.000 -0.075 0.000 0.826 351 A HN 1.051 nan 8.150 nan 0.000 0.463 352 A N 0.283 123.018 122.820 -0.141 0.000 2.520 352 A HA 0.453 4.765 4.320 -0.013 0.000 0.235 352 A C 0.992 178.516 177.584 -0.100 0.000 1.065 352 A CA 0.285 52.255 52.037 -0.112 0.000 0.764 352 A CB -0.427 18.493 19.000 -0.134 0.000 1.002 352 A HN 0.879 nan 8.150 nan 0.000 0.502 353 G N -0.359 108.395 108.800 -0.076 0.000 2.569 353 G HA2 0.316 4.268 3.960 -0.013 0.000 0.249 353 G HA3 0.316 4.268 3.960 -0.013 0.000 0.249 353 G C 0.693 175.500 174.900 -0.155 0.000 1.216 353 G CA 0.331 45.373 45.100 -0.095 0.000 0.845 353 G HN 0.941 nan 8.290 nan 0.000 0.568 354 E N 0.419 120.487 120.200 -0.220 0.000 2.108 354 E HA -0.246 4.096 4.350 -0.013 0.000 0.203 354 E C 2.339 178.595 176.600 -0.573 0.000 1.022 354 E CA 1.502 57.633 56.400 -0.448 0.000 0.823 354 E CB -0.058 29.434 29.700 -0.347 0.000 0.744 354 E HN 0.479 nan 8.360 nan 0.000 0.456 355 L N 1.003 122.079 121.223 -0.245 0.000 1.989 355 L HA -0.226 4.106 4.340 -0.013 0.000 0.211 355 L C 1.946 178.840 176.870 0.039 0.000 1.071 355 L CA 2.137 56.933 54.840 -0.074 0.000 0.749 355 L CB -0.253 41.799 42.059 -0.011 0.000 0.890 355 L HN 0.078 nan 8.230 nan 0.000 0.431 356 D N -1.012 119.414 120.400 0.043 0.000 2.117 356 D HA -0.189 4.443 4.640 -0.013 0.000 0.197 356 D C 2.376 178.889 176.300 0.355 0.000 0.987 356 D CA 1.470 55.594 54.000 0.205 0.000 0.829 356 D CB -0.104 40.795 40.800 0.166 0.000 0.961 356 D HN 0.399 nan 8.370 nan 0.000 0.460 357 S N -0.497 115.262 115.700 0.097 0.000 2.382 357 S HA -0.188 4.274 4.470 -0.013 0.000 0.228 357 S C 1.810 176.501 174.600 0.152 0.000 1.027 357 S CA 1.031 59.257 58.200 0.043 0.000 0.991 357 S CB -0.181 62.917 63.200 -0.170 0.000 0.823 357 S HN 0.244 nan 8.310 nan 0.000 0.469 358 H N -0.929 118.170 119.070 0.048 0.000 2.357 358 H HA -0.013 4.535 4.556 -0.013 0.000 0.301 358 H C 1.611 177.049 175.328 0.184 0.000 1.082 358 H CA 1.247 57.340 56.048 0.075 0.000 1.342 358 H CB -1.076 28.758 29.762 0.120 0.000 1.389 358 H HN 0.666 nan 8.280 nan 0.000 0.511 359 W N 0.887 122.305 121.300 0.196 0.000 2.333 359 W HA -0.229 4.423 4.660 -0.013 0.000 0.316 359 W C 1.911 178.480 176.519 0.084 0.000 1.215 359 W CA 1.584 58.983 57.345 0.090 0.000 1.278 359 W CB -0.801 28.655 29.460 -0.006 0.000 1.154 359 W HN 0.004 nan 8.180 nan 0.000 0.486 360 F N 0.539 120.670 119.950 0.302 0.000 2.134 360 F HA -0.164 4.356 4.527 -0.013 0.000 0.299 360 F C 2.590 178.386 175.800 -0.007 0.000 1.097 360 F CA 2.211 60.317 58.000 0.176 0.000 1.264 360 F CB -0.791 38.384 39.000 0.293 0.000 1.001 360 F HN -0.215 nan 8.300 nan 0.000 0.479 361 R N -0.115 120.494 120.500 0.182 0.000 2.075 361 R HA -0.184 4.148 4.340 -0.013 0.000 0.232 361 R C 2.188 178.473 176.300 -0.025 0.000 1.126 361 R CA 1.586 57.724 56.100 0.065 0.000 0.963 361 R CB -0.522 29.790 30.300 0.020 0.000 0.858 361 R HN 0.391 nan 8.270 nan 0.000 0.435 362 E N 0.573 120.729 120.200 -0.073 0.000 2.106 362 E HA -0.207 4.135 4.350 -0.013 0.000 0.192 362 E C 1.860 178.312 176.600 -0.248 0.000 0.984 362 E CA 0.940 57.248 56.400 -0.154 0.000 0.806 362 E CB 0.199 29.809 29.700 -0.151 0.000 0.750 362 E HN 0.197 nan 8.360 nan 0.000 0.458 363 Q N -0.021 119.538 119.800 -0.401 0.000 2.050 363 Q HA -0.111 4.221 4.340 -0.013 0.000 0.202 363 Q C 2.319 178.061 176.000 -0.430 0.000 0.980 363 Q CA 2.153 57.655 55.803 -0.502 0.000 0.840 363 Q CB -0.400 27.894 28.738 -0.741 0.000 0.898 363 Q HN 0.506 nan 8.270 nan 0.000 0.424 364 T N -2.678 111.676 114.554 -0.334 0.000 3.107 364 T HA 0.269 4.611 4.350 -0.013 0.000 0.249 364 T C 0.897 175.491 174.700 -0.177 0.000 1.096 364 T CA 0.151 62.075 62.100 -0.293 0.000 1.012 364 T CB -0.077 68.701 68.868 -0.150 0.000 0.977 364 T HN 0.156 nan 8.240 nan 0.000 0.527 365 G N 0.169 108.887 108.800 -0.137 0.000 2.380 365 G HA2 0.474 4.426 3.960 -0.013 0.000 0.242 365 G HA3 0.474 4.426 3.960 -0.013 0.000 0.242 365 G C 0.062 174.907 174.900 -0.092 0.000 1.298 365 G CA -0.153 44.894 45.100 -0.089 0.000 0.878 365 G HN 0.670 nan 8.290 nan 0.000 0.542 366 G N 0.445 109.189 108.800 -0.094 0.000 2.731 366 G HA2 0.566 4.518 3.960 -0.013 0.000 0.298 366 G HA3 0.566 4.518 3.960 -0.013 0.000 0.298 366 G C -1.020 174.026 174.900 0.244 0.000 1.424 366 G CA -0.695 44.362 45.100 -0.073 0.000 1.029 366 G HN 0.666 nan 8.290 nan 0.000 0.518 367 I N 1.553 122.371 120.570 0.414 0.000 2.545 367 I HA 0.367 4.529 4.170 -0.013 0.000 0.292 367 I C -0.353 175.923 176.117 0.265 0.000 1.040 367 I CA -0.800 60.709 61.300 0.349 0.000 1.068 367 I CB 2.407 40.509 38.000 0.170 0.000 1.251 367 I HN 0.148 nan 8.210 nan 0.000 0.424 368 L N 6.012 127.229 121.223 -0.010 0.000 2.265 368 L HA 0.485 4.817 4.340 -0.013 0.000 0.288 368 L C 0.140 177.002 176.870 -0.014 0.000 1.058 368 L CA -0.307 54.392 54.840 -0.235 0.000 0.809 368 L CB 0.819 42.446 42.059 -0.719 0.000 1.179 368 L HN 0.547 nan 8.230 nan 0.000 0.429 369 R N 3.413 123.999 120.500 0.142 0.000 2.393 369 R HA 0.186 4.518 4.340 -0.013 0.000 0.310 369 R C -0.034 176.474 176.300 0.348 0.000 0.968 369 R CA -0.653 55.544 56.100 0.162 0.000 0.867 369 R CB 1.221 31.575 30.300 0.090 0.000 1.124 369 R HN 0.601 nan 8.270 nan 0.000 0.450 370 E N 3.381 123.727 120.200 0.244 0.000 2.652 370 E HA -0.198 4.144 4.350 -0.013 0.000 0.255 370 E C -0.710 176.001 176.600 0.185 0.000 0.952 370 E CA 0.167 56.669 56.400 0.170 0.000 0.947 370 E CB 0.451 30.217 29.700 0.110 0.000 0.912 370 E HN 0.436 nan 8.360 nan 0.000 0.489 371 N N 5.508 124.130 118.700 -0.130 0.000 2.549 371 N HA -0.057 4.675 4.740 -0.013 0.000 0.267 371 N C 0.497 175.821 175.510 -0.310 0.000 1.182 371 N CA -0.232 52.580 53.050 -0.397 0.000 1.019 371 N CB -0.424 37.697 38.487 -0.610 0.000 1.380 371 N HN 0.512 nan 8.380 nan 0.000 0.505 372 F N 0.493 120.466 119.950 0.038 0.000 2.307 372 F HA -0.056 4.462 4.527 -0.014 0.000 0.301 372 F C 2.004 177.754 175.800 -0.085 0.000 1.076 372 F CA -0.135 57.842 58.000 -0.039 0.000 1.383 372 F CB -1.028 37.950 39.000 -0.037 0.000 1.055 372 F HN 0.283 nan 8.300 nan 0.000 0.526 373 C N 1.386 120.507 119.300 -0.298 0.000 2.409 373 C HA -0.116 4.336 4.460 -0.013 0.000 0.284 373 C C 2.796 177.752 174.990 -0.057 0.000 1.354 373 C CA 0.744 59.687 59.018 -0.126 0.000 1.787 373 C CB -1.376 26.265 27.740 -0.166 0.000 1.900 373 C HN 0.503 nan 8.230 nan 0.000 0.520 374 R N 1.016 121.454 120.500 -0.102 0.000 2.115 374 R HA -0.111 4.221 4.340 -0.013 0.000 0.230 374 R C 2.254 178.528 176.300 -0.043 0.000 1.111 374 R CA 1.342 57.389 56.100 -0.088 0.000 0.976 374 R CB -0.297 29.917 30.300 -0.144 0.000 0.870 374 R HN 0.709 nan 8.270 nan 0.000 0.445 375 R N -0.081 120.412 120.500 -0.012 0.000 2.282 375 R HA 0.083 4.415 4.340 -0.013 0.000 0.195 375 R C 1.506 177.817 176.300 0.019 0.000 0.909 375 R CA 1.152 57.253 56.100 0.003 0.000 1.039 375 R CB 0.033 30.337 30.300 0.007 0.000 1.015 375 R HN 0.090 nan 8.270 nan 0.000 0.513 376 T N -2.926 111.657 114.554 0.049 0.000 2.990 376 T HA 0.313 4.655 4.350 -0.013 0.000 0.250 376 T C 0.838 175.555 174.700 0.029 0.000 1.041 376 T CA 0.277 62.404 62.100 0.046 0.000 1.010 376 T CB 0.581 69.504 68.868 0.093 0.000 1.003 376 T HN 0.468 nan 8.240 nan 0.000 0.499 377 G N 0.715 109.536 108.800 0.034 0.000 3.307 377 G HA2 0.252 4.204 3.960 -0.013 0.000 0.686 377 G HA3 0.252 4.204 3.960 -0.013 0.000 0.686 377 G C 0.680 175.620 174.900 0.068 0.000 0.983 377 G CA -0.461 44.660 45.100 0.034 0.000 0.804 377 G HN 0.836 nan 8.290 nan 0.000 0.531 378 A N 1.619 124.501 122.820 0.103 0.000 1.978 378 A HA 0.032 4.344 4.320 -0.013 0.000 0.220 378 A C 1.874 179.586 177.584 0.214 0.000 1.170 378 A CA 2.166 54.312 52.037 0.181 0.000 0.636 378 A CB -0.178 18.953 19.000 0.218 0.000 0.810 378 A HN 0.850 nan 8.150 nan 0.000 0.448 379 E N -1.113 119.184 120.200 0.161 0.000 2.489 379 E HA 0.049 4.391 4.350 -0.013 0.000 0.193 379 E C 1.106 177.726 176.600 0.034 0.000 1.057 379 E CA 0.034 56.498 56.400 0.107 0.000 0.866 379 E CB 0.142 29.903 29.700 0.101 0.000 0.916 379 E HN 0.553 nan 8.360 nan 0.000 0.500 380 R N -0.250 120.227 120.500 -0.039 0.000 2.509 380 R HA 0.219 4.551 4.340 -0.013 0.000 0.297 380 R C -0.128 176.062 176.300 -0.183 0.000 0.951 380 R CA 0.011 55.905 56.100 -0.343 0.000 1.103 380 R CB 1.194 31.337 30.300 -0.261 0.000 1.283 380 R HN -0.148 nan 8.270 nan 0.000 0.534 381 S N 1.222 116.978 115.700 0.094 0.000 2.519 381 S HA 0.557 5.020 4.470 -0.013 0.000 0.309 381 S C -0.615 174.178 174.600 0.321 0.000 1.100 381 S CA -0.558 57.765 58.200 0.204 0.000 1.059 381 S CB 1.795 65.130 63.200 0.225 0.000 1.008 381 S HN 0.086 nan 8.310 nan 0.000 0.478 382 I N 2.902 123.627 120.570 0.259 0.000 2.512 382 I HA 0.315 4.477 4.170 -0.013 0.000 0.287 382 I C -0.174 176.003 176.117 0.101 0.000 1.069 382 I CA -0.584 60.803 61.300 0.145 0.000 1.056 382 I CB 1.774 39.759 38.000 -0.025 0.000 1.229 382 I HN 0.454 nan 8.210 nan 0.000 0.429 383 M N 4.692 124.341 119.600 0.082 0.000 2.284 383 M HA 0.062 4.534 4.480 -0.013 0.000 0.351 383 M C 1.174 177.435 176.300 -0.064 0.000 1.443 383 M CA 0.562 55.883 55.300 0.036 0.000 1.031 383 M CB 1.184 33.770 32.600 -0.024 0.000 1.893 383 M HN 0.936 nan 8.290 nan 0.000 0.456 384 A N 5.285 128.095 122.820 -0.015 0.000 1.972 384 A HA -0.047 4.265 4.320 -0.013 0.000 0.219 384 A C 1.854 179.395 177.584 -0.072 0.000 1.169 384 A CA 1.905 53.926 52.037 -0.027 0.000 0.635 384 A CB -1.164 17.928 19.000 0.153 0.000 0.810 384 A HN 1.032 nan 8.150 nan 0.000 0.446 385 G N -0.842 107.914 108.800 -0.074 0.000 2.446 385 G HA2 -0.200 3.752 3.960 -0.013 0.000 0.217 385 G HA3 -0.200 3.752 3.960 -0.013 0.000 0.217 385 G C 1.575 176.413 174.900 -0.104 0.000 1.168 385 G CA 1.711 46.765 45.100 -0.075 0.000 0.771 385 G HN 0.448 nan 8.290 nan 0.000 0.551 386 T N 1.076 115.523 114.554 -0.179 0.000 2.857 386 T HA -0.071 4.271 4.350 -0.013 0.000 0.266 386 T C 2.235 176.761 174.700 -0.289 0.000 1.048 386 T CA 0.991 62.948 62.100 -0.239 0.000 1.139 386 T CB -0.217 68.473 68.868 -0.296 0.000 0.874 386 T HN 0.129 nan 8.240 nan 0.000 0.455 387 L N 0.713 121.686 121.223 -0.416 0.000 2.081 387 L HA -0.019 4.313 4.340 -0.013 0.000 0.212 387 L C 0.970 177.404 176.870 -0.726 0.000 1.080 387 L CA 1.808 56.227 54.840 -0.700 0.000 0.754 387 L CB -0.645 40.819 42.059 -0.991 0.000 0.893 387 L HN 0.207 nan 8.230 nan 0.000 0.433 388 F N -0.333 119.539 119.950 -0.129 0.000 2.647 388 F HA 0.518 5.036 4.527 -0.016 0.000 0.300 388 F C 0.995 176.768 175.800 -0.045 0.000 1.106 388 F CA -0.225 57.718 58.000 -0.095 0.000 1.313 388 F CB -1.077 37.871 39.000 -0.087 0.000 1.007 388 F HN 0.049 nan 8.300 nan 0.000 0.536 389 A N 0.395 123.246 122.820 0.051 0.000 2.242 389 A HA 0.785 5.097 4.320 -0.013 0.000 0.304 389 A C 0.344 178.014 177.584 0.143 0.000 1.100 389 A CA -0.694 51.403 52.037 0.100 0.000 0.860 389 A CB 0.803 19.829 19.000 0.043 0.000 1.168 389 A HN 0.039 nan 8.150 nan 0.000 0.503 390 R N -0.059 120.590 120.500 0.248 0.000 2.404 390 R HA 0.479 4.811 4.340 -0.013 0.000 0.291 390 R C 0.645 177.238 176.300 0.488 0.000 1.025 390 R CA 0.027 56.296 56.100 0.282 0.000 0.991 390 R CB 0.727 31.127 30.300 0.167 0.000 1.053 390 R HN 0.863 nan 8.270 nan 0.000 0.479 391 G N -0.246 108.785 108.800 0.387 0.000 2.535 391 G HA2 0.224 4.176 3.960 -0.013 0.000 0.282 391 G HA3 0.224 4.176 3.960 -0.013 0.000 0.282 391 G C 0.939 176.136 174.900 0.495 0.000 1.350 391 G CA -0.190 45.192 45.100 0.469 0.000 1.039 391 G HN 0.374 nan 8.290 nan 0.000 0.509 392 V N -1.581 118.466 119.914 0.223 0.000 3.078 392 V HA -0.012 4.100 4.120 -0.013 0.000 0.265 392 V C 1.412 177.566 176.094 0.100 0.000 1.122 392 V CA 2.009 64.316 62.300 0.011 0.000 1.141 392 V CB -0.660 30.963 31.823 -0.333 0.000 0.735 392 V HN 0.618 nan 8.190 nan 0.000 0.498 393 D N -0.448 120.022 120.400 0.115 0.000 2.368 393 D HA 0.093 4.725 4.640 -0.013 0.000 0.218 393 D C 1.110 177.456 176.300 0.077 0.000 1.112 393 D CA -0.381 53.661 54.000 0.071 0.000 0.834 393 D CB -0.181 40.646 40.800 0.046 0.000 0.953 393 D HN 0.414 nan 8.370 nan 0.000 0.505 394 L N -1.085 120.213 121.223 0.124 0.000 4.232 394 L HA -0.237 4.095 4.340 -0.013 0.000 0.415 394 L C -0.437 176.472 176.870 0.066 0.000 1.168 394 L CA 0.698 55.565 54.840 0.046 0.000 0.966 394 L CB -1.095 40.934 42.059 -0.050 0.000 2.052 394 L HN 0.231 nan 8.230 nan 0.000 0.887 395 Q N 0.084 119.936 119.800 0.086 0.000 2.230 395 Q HA 0.432 4.764 4.340 -0.013 0.000 0.253 395 Q C -2.124 173.928 176.000 0.086 0.000 0.919 395 Q CA -2.060 53.779 55.803 0.060 0.000 0.908 395 Q CB 1.017 29.777 28.738 0.037 0.000 1.245 395 Q HN -0.070 nan 8.270 nan 0.000 0.437 396 P HA 0.085 nan 4.420 nan 0.000 0.267 396 P C 0.388 177.716 177.300 0.047 0.000 1.209 396 P CA 0.406 63.552 63.100 0.077 0.000 0.763 396 P CB 0.433 32.176 31.700 0.072 0.000 0.816 397 M N 3.035 122.660 119.600 0.041 0.000 2.374 397 M HA -0.083 4.389 4.480 -0.013 0.000 0.264 397 M C 1.867 178.166 176.300 -0.001 0.000 1.067 397 M CA 1.376 56.691 55.300 0.025 0.000 1.103 397 M CB -0.377 32.227 32.600 0.006 0.000 1.402 397 M HN 0.389 nan 8.290 nan 0.000 0.444 398 I N 0.436 120.970 120.570 -0.060 0.000 2.454 398 I HA -0.296 3.866 4.170 -0.013 0.000 0.254 398 I C 2.282 178.391 176.117 -0.013 0.000 1.156 398 I CA 1.108 62.352 61.300 -0.094 0.000 1.433 398 I CB -0.029 37.851 38.000 -0.201 0.000 1.082 398 I HN 0.347 nan 8.210 nan 0.000 0.432 399 Q N 0.246 120.031 119.800 -0.024 0.000 2.020 399 Q HA -0.207 4.125 4.340 -0.013 0.000 0.202 399 Q C 2.298 178.293 176.000 -0.009 0.000 0.982 399 Q CA 2.551 58.331 55.803 -0.039 0.000 0.838 399 Q CB -1.030 27.686 28.738 -0.037 0.000 0.899 399 Q HN 0.636 nan 8.270 nan 0.000 0.423 400 T N -1.328 113.241 114.554 0.024 0.000 2.857 400 T HA -0.103 4.239 4.350 -0.013 0.000 0.266 400 T C 1.784 176.512 174.700 0.048 0.000 1.048 400 T CA 0.861 62.976 62.100 0.025 0.000 1.139 400 T CB -0.667 68.217 68.868 0.027 0.000 0.874 400 T HN 0.200 nan 8.240 nan 0.000 0.455 401 F N 2.237 122.152 119.950 -0.058 0.000 2.065 401 F HA -0.028 4.489 4.527 -0.016 0.000 0.298 401 F C 2.006 177.828 175.800 0.037 0.000 1.112 401 F CA 1.332 59.313 58.000 -0.031 0.000 1.212 401 F CB -0.451 38.520 39.000 -0.049 0.000 0.975 401 F HN 0.062 nan 8.300 nan 0.000 0.476 402 L N -0.048 121.226 121.223 0.084 0.000 2.017 402 L HA -0.217 4.115 4.340 -0.013 0.000 0.208 402 L C 2.779 179.663 176.870 0.023 0.000 1.073 402 L CA 1.627 56.453 54.840 -0.023 0.000 0.745 402 L CB -0.752 41.176 42.059 -0.218 0.000 0.894 402 L HN 0.130 nan 8.230 nan 0.000 0.432 403 R N -0.353 120.132 120.500 -0.026 0.000 2.096 403 R HA -0.196 4.136 4.340 -0.013 0.000 0.240 403 R C 2.257 178.548 176.300 -0.016 0.000 1.139 403 R CA 2.298 58.394 56.100 -0.007 0.000 0.952 403 R CB -0.357 29.927 30.300 -0.026 0.000 0.854 403 R HN 0.314 nan 8.270 nan 0.000 0.436 404 T N -0.101 114.388 114.554 -0.109 0.000 2.684 404 T HA -0.157 4.185 4.350 -0.013 0.000 0.267 404 T C 1.556 176.112 174.700 -0.241 0.000 1.036 404 T CA 1.362 63.337 62.100 -0.207 0.000 1.148 404 T CB -0.328 68.340 68.868 -0.332 0.000 0.863 404 T HN 0.397 nan 8.240 nan 0.000 0.436 405 H N -0.699 118.275 119.070 -0.159 0.000 2.436 405 H HA 0.053 4.601 4.556 -0.014 0.000 0.294 405 H C 1.543 176.783 175.328 -0.147 0.000 1.048 405 H CA 0.974 56.915 56.048 -0.179 0.000 1.353 405 H CB -0.162 29.419 29.762 -0.302 0.000 1.414 405 H HN 0.433 nan 8.280 nan 0.000 0.536 406 Y N -0.074 120.239 120.300 0.021 0.000 2.490 406 Y HA 0.169 4.713 4.550 -0.012 0.000 0.281 406 Y C 1.982 177.884 175.900 0.004 0.000 1.174 406 Y CA 0.482 58.600 58.100 0.030 0.000 1.295 406 Y CB 0.231 38.713 38.460 0.037 0.000 1.062 406 Y HN 0.315 nan 8.280 nan 0.000 0.522 407 G N 0.566 109.413 108.800 0.079 0.000 2.189 407 G HA2 -0.309 3.643 3.960 -0.013 0.000 0.267 407 G HA3 -0.309 3.643 3.960 -0.013 0.000 0.267 407 G C 0.151 175.073 174.900 0.036 0.000 0.975 407 G CA 0.722 45.839 45.100 0.028 0.000 0.644 407 G HN 0.497 nan 8.290 nan 0.000 0.537 408 E N -1.587 118.654 120.200 0.067 0.000 2.423 408 E HA 0.674 5.016 4.350 -0.013 0.000 0.280 408 E C -0.128 176.494 176.600 0.036 0.000 1.030 408 E CA -0.707 55.719 56.400 0.044 0.000 0.812 408 E CB 0.632 30.360 29.700 0.047 0.000 1.313 408 E HN 1.291 nan 8.360 nan 0.000 0.456 409 A N 1.874 124.699 122.820 0.008 0.000 2.545 409 A HA 0.250 4.562 4.320 -0.013 0.000 0.253 409 A C -0.206 177.368 177.584 -0.017 0.000 1.074 409 A CA -0.121 51.908 52.037 -0.013 0.000 0.760 409 A CB -0.481 18.509 19.000 -0.016 0.000 1.005 409 A HN 0.403 nan 8.150 nan 0.000 0.506 410 L N 3.845 125.034 121.223 -0.056 0.000 2.410 410 L HA 0.195 4.528 4.340 -0.013 0.000 0.273 410 L C 0.849 177.687 176.870 -0.054 0.000 1.144 410 L CA 0.070 54.859 54.840 -0.084 0.000 0.863 410 L CB 0.411 42.340 42.059 -0.216 0.000 1.140 410 L HN 0.853 nan 8.230 nan 0.000 0.463 411 D N 0.967 121.353 120.400 -0.023 0.000 2.414 411 D HA -0.001 4.631 4.640 -0.013 0.000 0.259 411 D C 0.502 176.797 176.300 -0.009 0.000 1.269 411 D CA -0.357 53.636 54.000 -0.011 0.000 1.028 411 D CB 0.498 41.300 40.800 0.003 0.000 1.093 411 D HN 0.411 nan 8.370 nan 0.000 0.545 412 D N -0.875 119.526 120.400 0.001 0.000 2.117 412 D HA -0.143 4.489 4.640 -0.013 0.000 0.197 412 D C 1.512 177.835 176.300 0.038 0.000 0.987 412 D CA 0.995 55.000 54.000 0.009 0.000 0.829 412 D CB -0.276 40.529 40.800 0.008 0.000 0.961 412 D HN 0.334 nan 8.370 nan 0.000 0.460 413 N N 0.509 119.237 118.700 0.048 0.000 2.188 413 N HA -0.076 4.656 4.740 -0.013 0.000 0.184 413 N C 1.675 177.263 175.510 0.129 0.000 1.018 413 N CA 1.095 54.194 53.050 0.082 0.000 0.858 413 N CB -0.298 38.222 38.487 0.055 0.000 0.989 413 N HN 0.125 nan 8.380 nan 0.000 0.426 414 A N 1.105 123.979 122.820 0.089 0.000 1.902 414 A HA -0.052 4.260 4.320 -0.013 0.000 0.217 414 A C 2.373 180.033 177.584 0.127 0.000 1.181 414 A CA 0.891 52.990 52.037 0.103 0.000 0.623 414 A CB -0.721 18.276 19.000 -0.005 0.000 0.818 414 A HN 0.208 nan 8.150 nan 0.000 0.443 415 L N -0.740 120.519 121.223 0.060 0.000 2.017 415 L HA -0.187 4.145 4.340 -0.013 0.000 0.208 415 L C 2.616 179.629 176.870 0.239 0.000 1.073 415 L CA 1.147 56.038 54.840 0.084 0.000 0.745 415 L CB -0.556 41.501 42.059 -0.004 0.000 0.894 415 L HN 0.376 nan 8.230 nan 0.000 0.432 416 L N -1.587 119.757 121.223 0.202 0.000 2.042 416 L HA -0.293 4.039 4.340 -0.013 0.000 0.210 416 L C 2.603 179.676 176.870 0.337 0.000 1.076 416 L CA 1.526 56.514 54.840 0.247 0.000 0.749 416 L CB -0.568 41.596 42.059 0.176 0.000 0.893 416 L HN 0.226 nan 8.230 nan 0.000 0.432 417 Y N -1.091 119.331 120.300 0.204 0.000 2.220 417 Y HA -0.286 4.255 4.550 -0.014 0.000 0.291 417 Y C 2.334 178.372 175.900 0.230 0.000 1.129 417 Y CA 1.233 59.444 58.100 0.185 0.000 1.161 417 Y CB -0.418 38.135 38.460 0.155 0.000 0.997 417 Y HN 0.166 nan 8.280 nan 0.000 0.522 418 W N -0.017 121.388 121.300 0.174 0.000 2.317 418 W HA -0.343 4.313 4.660 -0.007 0.000 0.318 418 W C 2.310 178.902 176.519 0.121 0.000 1.227 418 W CA 2.617 60.041 57.345 0.131 0.000 1.269 418 W CB -0.910 28.622 29.460 0.120 0.000 1.155 418 W HN 0.207 nan 8.180 nan 0.000 0.484 419 F N 1.322 121.535 119.950 0.439 0.000 2.095 419 F HA -0.283 4.238 4.527 -0.011 0.000 0.298 419 F C 2.245 178.079 175.800 0.057 0.000 1.104 419 F CA 2.467 60.640 58.000 0.289 0.000 1.232 419 F CB -0.795 38.316 39.000 0.185 0.000 0.987 419 F HN -0.187 nan 8.300 nan 0.000 0.475 420 D N 0.583 120.930 120.400 -0.088 0.000 2.104 420 D HA -0.205 4.428 4.640 -0.013 0.000 0.194 420 D C 1.825 177.897 176.300 -0.379 0.000 0.994 420 D CA 1.766 55.617 54.000 -0.248 0.000 0.830 420 D CB -0.461 40.270 40.800 -0.114 0.000 0.959 420 D HN 0.306 nan 8.370 nan 0.000 0.452 421 D N -1.008 119.136 120.400 -0.426 0.000 2.104 421 D HA -0.187 4.445 4.640 -0.013 0.000 0.194 421 D C 1.895 177.928 176.300 -0.444 0.000 0.994 421 D CA 0.746 54.481 54.000 -0.441 0.000 0.830 421 D CB -0.596 39.910 40.800 -0.490 0.000 0.959 421 D HN 0.348 nan 8.370 nan 0.000 0.452 422 Y N 1.658 121.574 120.300 -0.641 0.000 2.070 422 Y HA -0.309 4.235 4.550 -0.010 0.000 0.280 422 Y C 2.518 178.138 175.900 -0.467 0.000 1.148 422 Y CA 2.567 60.317 58.100 -0.582 0.000 1.125 422 Y CB -0.315 37.761 38.460 -0.641 0.000 0.975 422 Y HN 0.014 nan 8.280 nan 0.000 0.492 423 Q N -1.341 118.144 119.800 -0.525 0.000 2.170 423 Q HA -0.117 4.215 4.340 -0.013 0.000 0.203 423 Q C 1.761 177.534 176.000 -0.379 0.000 0.976 423 Q CA 2.127 57.625 55.803 -0.509 0.000 0.858 423 Q CB -1.013 27.281 28.738 -0.740 0.000 0.907 423 Q HN 0.306 nan 8.270 nan 0.000 0.433 424 T N 0.677 115.023 114.554 -0.347 0.000 2.777 424 T HA -0.059 4.283 4.350 -0.013 0.000 0.266 424 T C 1.639 176.194 174.700 -0.241 0.000 1.040 424 T CA 1.470 63.428 62.100 -0.236 0.000 1.141 424 T CB -0.127 68.616 68.868 -0.208 0.000 0.868 424 T HN 0.336 nan 8.240 nan 0.000 0.444 425 R N 0.109 120.410 120.500 -0.331 0.000 2.235 425 R HA 0.138 4.470 4.340 -0.013 0.000 0.213 425 R C 2.137 178.238 176.300 -0.332 0.000 1.059 425 R CA 0.416 56.329 56.100 -0.312 0.000 0.997 425 R CB -0.229 29.862 30.300 -0.349 0.000 0.884 425 R HN 0.231 nan 8.270 nan 0.000 0.462 426 L N 0.167 121.135 121.223 -0.426 0.000 2.084 426 L HA 0.021 4.353 4.340 -0.013 0.000 0.202 426 L C 1.719 178.446 176.870 -0.239 0.000 1.074 426 L CA 1.535 56.146 54.840 -0.382 0.000 0.757 426 L CB -0.206 41.528 42.059 -0.543 0.000 0.918 426 L HN 0.065 nan 8.230 nan 0.000 0.444 427 L N -0.772 120.334 121.223 -0.195 0.000 2.072 427 L HA -0.095 4.238 4.340 -0.013 0.000 0.205 427 L C 2.835 179.703 176.870 -0.004 0.000 1.079 427 L CA 0.631 55.424 54.840 -0.079 0.000 0.752 427 L CB -0.591 41.468 42.059 -0.000 0.000 0.906 427 L HN 0.221 nan 8.230 nan 0.000 0.436 428 R N 0.239 120.724 120.500 -0.025 0.000 2.097 428 R HA -0.163 4.169 4.340 -0.013 0.000 0.236 428 R C -0.014 176.312 176.300 0.042 0.000 1.135 428 R CA 1.768 57.878 56.100 0.016 0.000 0.934 428 R CB -2.127 28.161 30.300 -0.020 0.000 0.846 428 R HN 0.330 nan 8.270 nan 0.000 0.431 429 P HA -0.065 nan 4.420 nan 0.000 0.216 429 P C 1.702 179.047 177.300 0.074 0.000 1.153 429 P CA 0.924 64.046 63.100 0.038 0.000 0.848 429 P CB -0.064 31.636 31.700 -0.000 0.000 0.787 430 V N -0.617 119.324 119.914 0.044 0.000 2.358 430 V HA -0.197 3.915 4.120 -0.013 0.000 0.246 430 V C 2.420 178.602 176.094 0.148 0.000 1.047 430 V CA 1.653 63.990 62.300 0.062 0.000 1.035 430 V CB -1.191 30.617 31.823 -0.025 0.000 0.658 430 V HN 0.053 nan 8.190 nan 0.000 0.452 431 L N -0.491 120.848 121.223 0.194 0.000 2.131 431 L HA -0.065 4.268 4.340 -0.013 0.000 0.206 431 L C 2.604 179.705 176.870 0.384 0.000 1.087 431 L CA 1.097 56.153 54.840 0.361 0.000 0.767 431 L CB -0.586 41.738 42.059 0.442 0.000 0.917 431 L HN 0.272 nan 8.230 nan 0.000 0.441 432 S N 0.496 116.350 115.700 0.256 0.000 2.359 432 S HA -0.164 4.298 4.470 -0.013 0.000 0.224 432 S C 2.005 176.746 174.600 0.235 0.000 1.035 432 S CA 1.312 59.648 58.200 0.225 0.000 1.018 432 S CB -0.380 62.919 63.200 0.164 0.000 0.876 432 S HN 0.272 nan 8.310 nan 0.000 0.448 433 L N -0.174 121.174 121.223 0.209 0.000 2.042 433 L HA -0.130 4.202 4.340 -0.013 0.000 0.210 433 L C 2.261 179.225 176.870 0.156 0.000 1.076 433 L CA 1.536 56.486 54.840 0.183 0.000 0.749 433 L CB -0.444 41.686 42.059 0.119 0.000 0.893 433 L HN 0.278 nan 8.230 nan 0.000 0.432 434 F N -0.310 119.639 119.950 -0.001 0.000 2.113 434 F HA -0.232 4.287 4.527 -0.012 0.000 0.297 434 F C 2.081 177.750 175.800 -0.218 0.000 1.103 434 F CA 1.534 59.446 58.000 -0.147 0.000 1.248 434 F CB -0.100 38.738 39.000 -0.271 0.000 0.999 434 F HN -0.127 nan 8.300 nan 0.000 0.475 435 F N 0.487 120.506 119.950 0.114 0.000 2.219 435 F HA -0.053 4.466 4.527 -0.014 0.000 0.294 435 F C 2.175 177.884 175.800 -0.152 0.000 1.086 435 F CA 0.895 58.867 58.000 -0.045 0.000 1.330 435 F CB -0.952 38.086 39.000 0.063 0.000 1.047 435 F HN -0.052 nan 8.300 nan 0.000 0.495 436 N N -1.187 117.518 118.700 0.008 0.000 2.354 436 N HA -0.085 4.647 4.740 -0.013 0.000 0.179 436 N C 1.190 176.332 175.510 -0.612 0.000 1.021 436 N CA 1.122 53.991 53.050 -0.303 0.000 0.887 436 N CB -0.224 38.051 38.487 -0.353 0.000 0.974 436 N HN 0.388 nan 8.380 nan 0.000 0.437 437 H N -2.052 116.994 119.070 -0.040 0.000 3.535 437 H HA 0.248 4.796 4.556 -0.013 0.000 0.260 437 H C 0.795 176.112 175.328 -0.020 0.000 1.173 437 H CA 0.600 56.653 56.048 0.007 0.000 1.168 437 H CB 1.035 30.774 29.762 -0.039 0.000 1.568 437 H HN 0.174 nan 8.280 nan 0.000 0.602 438 G N 1.881 110.606 108.800 -0.124 0.000 2.160 438 G HA2 -0.277 3.675 3.960 -0.013 0.000 0.251 438 G HA3 -0.277 3.675 3.960 -0.013 0.000 0.251 438 G C 0.108 174.945 174.900 -0.105 0.000 1.008 438 G CA 0.507 45.465 45.100 -0.237 0.000 0.724 438 G HN 0.197 nan 8.290 nan 0.000 0.514 439 V N 0.827 120.715 119.914 -0.044 0.000 2.364 439 V HA 0.464 4.576 4.120 -0.013 0.000 0.272 439 V C 0.650 176.811 176.094 0.113 0.000 1.036 439 V CA -0.619 61.667 62.300 -0.023 0.000 0.880 439 V CB 1.788 33.516 31.823 -0.158 0.000 0.991 439 V HN 0.277 nan 8.190 nan 0.000 0.460 440 V N 6.512 126.505 119.914 0.132 0.000 2.288 440 V HA 0.323 4.435 4.120 -0.013 0.000 0.266 440 V C 0.505 176.652 176.094 0.088 0.000 1.048 440 V CA -0.576 61.843 62.300 0.198 0.000 0.842 440 V CB 0.721 32.665 31.823 0.201 0.000 1.064 440 V HN 0.720 nan 8.190 nan 0.000 0.472 441 M N 2.604 122.262 119.600 0.097 0.000 2.113 441 M HA 0.282 4.754 4.480 -0.013 0.000 0.288 441 M C 0.540 176.845 176.300 0.008 0.000 1.225 441 M CA 0.302 55.638 55.300 0.060 0.000 1.148 441 M CB -0.187 32.446 32.600 0.054 0.000 1.388 441 M HN 0.633 nan 8.290 nan 0.000 0.469 442 E N 2.484 122.661 120.200 -0.038 0.000 2.916 442 E HA 0.269 4.611 4.350 -0.013 0.000 0.217 442 E C -2.115 174.353 176.600 -0.221 0.000 1.100 442 E CA -1.592 54.756 56.400 -0.086 0.000 0.891 442 E CB 0.749 30.403 29.700 -0.076 0.000 1.311 442 E HN 0.229 nan 8.360 nan 0.000 0.421 443 P HA 0.065 nan 4.420 nan 0.000 0.226 443 P C -0.655 176.677 177.300 0.054 0.000 1.758 443 P CA -0.229 62.824 63.100 -0.079 0.000 0.896 443 P CB -0.577 31.078 31.700 -0.075 0.000 1.784 444 H N -1.406 117.692 119.070 0.046 0.000 2.581 444 H HA 0.190 4.739 4.556 -0.013 0.000 0.369 444 H C 1.442 176.724 175.328 -0.075 0.000 1.351 444 H CA -0.867 55.174 56.048 -0.013 0.000 1.434 444 H CB -0.176 29.574 29.762 -0.020 0.000 1.558 444 H HN -0.157 nan 8.280 nan 0.000 0.608 445 L N -1.130 120.120 121.223 0.044 0.000 2.127 445 L HA -0.167 4.165 4.340 -0.013 0.000 0.211 445 L C 2.587 179.465 176.870 0.013 0.000 1.089 445 L CA 1.676 56.411 54.840 -0.175 0.000 0.757 445 L CB -0.399 41.528 42.059 -0.221 0.000 0.899 445 L HN 0.719 nan 8.230 nan 0.000 0.434 446 Q N 0.075 119.973 119.800 0.165 0.000 2.311 446 Q HA -0.106 4.226 4.340 -0.013 0.000 0.203 446 Q C 1.174 177.280 176.000 0.177 0.000 0.954 446 Q CA 0.861 56.746 55.803 0.136 0.000 0.885 446 Q CB 0.129 28.897 28.738 0.049 0.000 0.963 446 Q HN 0.474 nan 8.270 nan 0.000 0.471 447 N N 0.160 118.965 118.700 0.174 0.000 2.383 447 N HA 0.047 4.779 4.740 -0.013 0.000 0.192 447 N C -0.652 174.831 175.510 -0.044 0.000 1.141 447 N CA 0.126 53.143 53.050 -0.055 0.000 0.851 447 N CB 0.592 38.882 38.487 -0.328 0.000 0.976 447 N HN -0.028 nan 8.380 nan 0.000 0.465 448 S N -0.282 115.433 115.700 0.025 0.000 2.513 448 S HA 0.592 5.054 4.470 -0.013 0.000 0.299 448 S C -0.347 174.275 174.600 0.036 0.000 1.087 448 S CA -0.709 57.520 58.200 0.049 0.000 1.012 448 S CB 2.847 66.195 63.200 0.246 0.000 1.044 448 S HN -0.207 nan 8.310 nan 0.000 0.485 449 V N 3.359 123.254 119.914 -0.031 0.000 2.482 449 V HA 0.362 4.474 4.120 -0.013 0.000 0.295 449 V C -0.603 175.498 176.094 0.011 0.000 1.026 449 V CA -0.756 61.534 62.300 -0.018 0.000 0.856 449 V CB 1.513 33.235 31.823 -0.168 0.000 1.001 449 V HN 0.792 nan 8.190 nan 0.000 0.424 450 L N 6.883 128.179 121.223 0.121 0.000 2.410 450 L HA 0.425 4.757 4.340 -0.013 0.000 0.273 450 L C -0.170 176.782 176.870 0.136 0.000 1.144 450 L CA 0.664 55.607 54.840 0.172 0.000 0.863 450 L CB 1.111 43.348 42.059 0.297 0.000 1.140 450 L HN 0.469 nan 8.230 nan 0.000 0.463 451 V N 5.963 125.918 119.914 0.069 0.000 2.370 451 V HA 0.413 4.525 4.120 -0.013 0.000 0.279 451 V C -0.341 175.805 176.094 0.088 0.000 1.029 451 V CA -0.536 61.786 62.300 0.038 0.000 0.870 451 V CB 0.696 32.502 31.823 -0.028 0.000 0.984 451 V HN 1.011 nan 8.190 nan 0.000 0.451 452 H N 2.511 121.628 119.070 0.079 0.000 2.731 452 H HA 0.814 5.363 4.556 -0.012 0.000 0.368 452 H C -0.691 174.661 175.328 0.040 0.000 1.168 452 H CA -1.193 54.907 56.048 0.085 0.000 1.181 452 H CB 1.733 31.614 29.762 0.197 0.000 1.743 452 H HN 0.439 nan 8.280 nan 0.000 0.547 453 Q N 1.647 121.510 119.800 0.104 0.000 2.363 453 Q HA 0.253 4.585 4.340 -0.013 0.000 0.265 453 Q C -0.780 175.254 176.000 0.058 0.000 1.032 453 Q CA -0.397 55.423 55.803 0.028 0.000 0.746 453 Q CB 0.799 29.541 28.738 0.007 0.000 1.237 453 Q HN 0.825 nan 8.270 nan 0.000 0.475 454 Q N 3.004 122.831 119.800 0.045 0.000 2.457 454 Q HA -0.312 4.020 4.340 -0.013 0.000 0.283 454 Q C 0.615 176.401 176.000 -0.356 0.000 1.234 454 Q CA 0.870 56.626 55.803 -0.079 0.000 0.877 454 Q CB -1.808 26.921 28.738 -0.015 0.000 1.250 454 Q HN 1.225 nan 8.270 nan 0.000 0.481 455 G N -0.798 107.804 108.800 -0.329 0.000 2.253 455 G HA2 -0.340 3.612 3.960 -0.013 0.000 0.251 455 G HA3 -0.340 3.612 3.960 -0.013 0.000 0.251 455 G C 0.021 175.157 174.900 0.392 0.000 0.998 455 G CA 0.254 45.210 45.100 -0.240 0.000 0.621 455 G HN 0.256 nan 8.290 nan 0.000 0.524 456 R N 1.673 122.320 120.500 0.245 0.000 2.298 456 R HA 0.511 4.843 4.340 -0.013 0.000 0.310 456 R C -2.447 173.929 176.300 0.127 0.000 1.068 456 R CA -1.870 54.364 56.100 0.224 0.000 0.957 456 R CB 0.443 30.819 30.300 0.127 0.000 1.003 456 R HN 0.156 nan 8.270 nan 0.000 0.454 457 P HA -0.030 nan 4.420 nan 0.000 0.263 457 P C -0.227 177.021 177.300 -0.085 0.000 1.195 457 P CA 0.169 63.203 63.100 -0.110 0.000 0.762 457 P CB 0.923 32.386 31.700 -0.395 0.000 0.799 458 Q N 1.702 121.480 119.800 -0.037 0.000 2.499 458 Q HA 0.143 4.475 4.340 -0.013 0.000 0.213 458 Q C 0.151 176.097 176.000 -0.089 0.000 0.929 458 Q CA 1.151 56.922 55.803 -0.053 0.000 0.904 458 Q CB 0.311 29.034 28.738 -0.025 0.000 1.052 458 Q HN 0.548 nan 8.270 nan 0.000 0.589 459 Q N -0.805 118.941 119.800 -0.091 0.000 2.418 459 Q HA 0.493 4.825 4.340 -0.013 0.000 0.282 459 Q C -1.463 174.451 176.000 -0.143 0.000 1.044 459 Q CA -0.358 55.372 55.803 -0.122 0.000 0.813 459 Q CB 3.123 31.802 28.738 -0.097 0.000 1.428 459 Q HN -0.133 nan 8.270 nan 0.000 0.402 460 V N 2.177 121.975 119.914 -0.192 0.000 2.275 460 V HA 0.323 4.435 4.120 -0.013 0.000 0.272 460 V C -0.484 175.514 176.094 -0.160 0.000 1.028 460 V CA -0.616 61.574 62.300 -0.184 0.000 0.810 460 V CB 0.698 32.340 31.823 -0.303 0.000 1.043 460 V HN 0.704 nan 8.190 nan 0.000 0.453 461 L N 5.989 127.101 121.223 -0.184 0.000 2.453 461 L HA 0.387 4.719 4.340 -0.013 0.000 0.272 461 L C -0.564 176.172 176.870 -0.223 0.000 1.182 461 L CA 0.361 55.050 54.840 -0.251 0.000 0.858 461 L CB 0.489 42.281 42.059 -0.445 0.000 1.120 461 L HN 0.476 nan 8.230 nan 0.000 0.474 462 L N 5.729 126.839 121.223 -0.188 0.000 2.334 462 L HA 0.674 5.006 4.340 -0.013 0.000 0.273 462 L C -0.180 176.584 176.870 -0.176 0.000 1.013 462 L CA -0.746 54.007 54.840 -0.146 0.000 0.816 462 L CB 1.704 43.713 42.059 -0.083 0.000 1.278 462 L HN 0.727 nan 8.230 nan 0.000 0.431 463 R N 0.178 120.584 120.500 -0.157 0.000 2.869 463 R HA 0.683 5.015 4.340 -0.013 0.000 0.263 463 R C -1.534 174.695 176.300 -0.118 0.000 1.066 463 R CA -0.876 55.111 56.100 -0.188 0.000 0.960 463 R CB 1.575 31.750 30.300 -0.208 0.000 1.221 463 R HN 0.477 nan 8.270 nan 0.000 0.474 464 D N -0.065 120.238 120.400 -0.162 0.000 3.579 464 D HA -0.097 4.535 4.640 -0.013 0.000 0.236 464 D C -0.510 175.877 176.300 0.144 0.000 1.020 464 D CA 0.067 54.034 54.000 -0.055 0.000 1.030 464 D CB -0.623 40.157 40.800 -0.034 0.000 0.902 464 D HN 0.510 nan 8.370 nan 0.000 0.409 465 F N 1.019 120.939 119.950 -0.050 0.000 2.365 465 F HA -0.032 4.487 4.527 -0.013 0.000 0.300 465 F C 2.424 178.228 175.800 0.008 0.000 1.090 465 F CA 1.422 59.415 58.000 -0.011 0.000 1.408 465 F CB -0.407 38.596 39.000 0.006 0.000 1.060 465 F HN 0.549 nan 8.300 nan 0.000 0.534 466 E N 0.405 120.713 120.200 0.179 0.000 2.153 466 E HA -0.151 4.191 4.350 -0.013 0.000 0.194 466 E C 2.410 179.049 176.600 0.064 0.000 0.988 466 E CA 1.296 57.753 56.400 0.095 0.000 0.811 466 E CB -0.594 29.142 29.700 0.058 0.000 0.746 466 E HN 0.352 nan 8.360 nan 0.000 0.466 467 G N 1.138 109.978 108.800 0.067 0.000 2.534 467 G HA2 -0.047 3.906 3.960 -0.013 0.000 0.217 467 G HA3 -0.047 3.906 3.960 -0.013 0.000 0.217 467 G C 0.726 175.619 174.900 -0.012 0.000 1.128 467 G CA 0.292 45.409 45.100 0.029 0.000 0.784 467 G HN 0.127 nan 8.290 nan 0.000 0.542 468 V N 1.667 121.599 119.914 0.030 0.000 2.572 468 V HA 0.281 4.393 4.120 -0.013 0.000 0.291 468 V C -0.061 175.980 176.094 -0.089 0.000 1.039 468 V CA -0.111 62.191 62.300 0.003 0.000 1.055 468 V CB 1.182 33.048 31.823 0.071 0.000 0.969 468 V HN 0.104 nan 8.190 nan 0.000 0.482 469 K N 4.816 125.126 120.400 -0.151 0.000 2.350 469 K HA 0.737 5.049 4.320 -0.013 0.000 0.241 469 K C -1.051 175.504 176.600 -0.076 0.000 0.994 469 K CA -0.747 55.408 56.287 -0.221 0.000 0.839 469 K CB 2.551 34.662 32.500 -0.648 0.000 1.244 469 K HN 0.443 nan 8.250 nan 0.000 0.443 470 L N 1.147 122.354 121.223 -0.026 0.000 2.381 470 L HA 0.346 4.678 4.340 -0.013 0.000 0.274 470 L C 0.318 177.224 176.870 0.059 0.000 0.988 470 L CA -0.988 53.862 54.840 0.017 0.000 0.824 470 L CB 2.047 44.117 42.059 0.019 0.000 1.263 470 L HN 0.719 nan 8.230 nan 0.000 0.410 471 T N -3.059 111.517 114.554 0.037 0.000 2.919 471 T HA 0.049 4.391 4.350 -0.013 0.000 0.302 471 T C 0.954 175.664 174.700 0.016 0.000 1.031 471 T CA -0.509 61.615 62.100 0.041 0.000 1.127 471 T CB 0.985 69.812 68.868 -0.067 0.000 0.952 471 T HN 0.709 nan 8.240 nan 0.000 0.540 472 D N 1.712 122.133 120.400 0.035 0.000 2.190 472 D HA -0.222 4.410 4.640 -0.013 0.000 0.200 472 D C 1.309 177.596 176.300 -0.021 0.000 0.992 472 D CA 1.689 55.697 54.000 0.013 0.000 0.854 472 D CB -0.321 40.493 40.800 0.022 0.000 0.936 472 D HN 0.803 nan 8.370 nan 0.000 0.462 473 D N -0.906 119.471 120.400 -0.039 0.000 2.346 473 D HA -0.002 4.630 4.640 -0.013 0.000 0.206 473 D C 1.715 177.960 176.300 -0.092 0.000 1.001 473 D CA 0.060 54.024 54.000 -0.061 0.000 0.871 473 D CB 0.091 40.856 40.800 -0.058 0.000 0.943 473 D HN 0.333 nan 8.370 nan 0.000 0.518 474 L N -0.219 120.940 121.223 -0.107 0.000 2.692 474 L HA 0.383 4.715 4.340 -0.013 0.000 0.175 474 L C 2.192 178.992 176.870 -0.117 0.000 1.112 474 L CA 1.239 55.997 54.840 -0.137 0.000 0.908 474 L CB -0.396 41.567 42.059 -0.159 0.000 1.672 474 L HN 0.017 nan 8.230 nan 0.000 0.500 475 G N 0.290 109.064 108.800 -0.043 0.000 2.418 475 G HA2 -0.270 3.682 3.960 -0.013 0.000 0.217 475 G HA3 -0.270 3.682 3.960 -0.013 0.000 0.217 475 G C 1.483 176.439 174.900 0.093 0.000 1.158 475 G CA 1.186 46.338 45.100 0.087 0.000 0.771 475 G HN 0.314 nan 8.290 nan 0.000 0.545 476 I N 0.950 121.532 120.570 0.020 0.000 2.567 476 I HA -0.067 4.095 4.170 -0.013 0.000 0.257 476 I C 2.634 178.745 176.117 -0.010 0.000 1.184 476 I CA 0.588 61.899 61.300 0.019 0.000 1.451 476 I CB -0.119 37.889 38.000 0.013 0.000 1.089 476 I HN 0.078 nan 8.210 nan 0.000 0.441 477 R N -1.090 119.355 120.500 -0.092 0.000 2.241 477 R HA -0.173 4.159 4.340 -0.013 0.000 0.224 477 R C 1.696 177.891 176.300 -0.176 0.000 1.101 477 R CA 1.174 57.175 56.100 -0.165 0.000 0.995 477 R CB -0.458 29.677 30.300 -0.274 0.000 0.870 477 R HN 0.443 nan 8.270 nan 0.000 0.463 478 Y N 0.296 120.575 120.300 -0.035 0.000 2.561 478 Y HA 0.013 4.555 4.550 -0.013 0.000 0.291 478 Y C 0.796 176.682 175.900 -0.024 0.000 1.141 478 Y CA -0.277 57.803 58.100 -0.034 0.000 1.303 478 Y CB 0.378 38.801 38.460 -0.061 0.000 1.015 478 Y HN -0.112 nan 8.280 nan 0.000 0.547 479 I N 1.593 122.227 120.570 0.107 0.000 2.396 479 I HA -0.007 4.156 4.170 -0.013 0.000 0.289 479 I C 0.008 176.154 176.117 0.049 0.000 1.056 479 I CA -0.791 60.551 61.300 0.069 0.000 1.365 479 I CB -0.061 37.970 38.000 0.052 0.000 1.407 479 I HN 0.038 nan 8.210 nan 0.000 0.509 480 D N 5.290 125.723 120.400 0.054 0.000 2.382 480 D HA -0.004 4.628 4.640 -0.013 0.000 0.240 480 D C 0.908 177.230 176.300 0.036 0.000 1.146 480 D CA -0.044 53.982 54.000 0.043 0.000 0.897 480 D CB 0.879 41.709 40.800 0.050 0.000 1.197 480 D HN 0.367 nan 8.370 nan 0.000 0.432 481 D N 0.143 120.559 120.400 0.026 0.000 2.350 481 D HA -0.124 4.508 4.640 -0.013 0.000 0.216 481 D C 0.985 177.301 176.300 0.026 0.000 0.968 481 D CA 0.710 54.722 54.000 0.020 0.000 0.894 481 D CB 0.019 40.825 40.800 0.011 0.000 0.909 481 D HN 0.471 nan 8.370 nan 0.000 0.520 482 D N -0.409 120.014 120.400 0.038 0.000 2.328 482 D HA -0.057 4.575 4.640 -0.013 0.000 0.221 482 D C 0.602 176.945 176.300 0.071 0.000 1.072 482 D CA -0.274 53.755 54.000 0.047 0.000 0.850 482 D CB 0.130 40.959 40.800 0.048 0.000 0.922 482 D HN 0.006 nan 8.370 nan 0.000 0.516 483 I N 1.648 122.264 120.570 0.077 0.000 2.575 483 I HA 0.031 4.193 4.170 -0.013 0.000 0.285 483 I C 0.988 177.190 176.117 0.142 0.000 1.085 483 I CA -0.500 60.869 61.300 0.116 0.000 1.403 483 I CB 0.133 38.192 38.000 0.098 0.000 1.409 483 I HN 0.192 nan 8.210 nan 0.000 0.557 484 H N 8.582 127.725 119.070 0.122 0.000 3.070 484 H HA 0.008 4.556 4.556 -0.013 0.000 0.313 484 H C -1.481 173.909 175.328 0.103 0.000 0.997 484 H CA -0.823 55.318 56.048 0.154 0.000 1.438 484 H CB 1.132 31.070 29.762 0.293 0.000 1.455 484 H HN 0.304 nan 8.280 nan 0.000 0.575 485 P HA -0.206 nan 4.420 nan 0.000 0.217 485 P C 1.537 178.916 177.300 0.131 0.000 1.148 485 P CA 1.241 64.356 63.100 0.024 0.000 0.834 485 P CB 0.285 31.944 31.700 -0.069 0.000 0.783 486 R N 0.146 120.887 120.500 0.403 0.000 2.115 486 R HA -0.044 4.288 4.340 -0.013 0.000 0.230 486 R C 2.051 178.260 176.300 -0.152 0.000 1.111 486 R CA 1.110 57.261 56.100 0.086 0.000 0.976 486 R CB -1.413 28.955 30.300 0.114 0.000 0.870 486 R HN 0.026 nan 8.270 nan 0.000 0.445 487 V N 0.372 120.282 119.914 -0.005 0.000 2.323 487 V HA -0.124 3.988 4.120 -0.013 0.000 0.244 487 V C 2.478 178.565 176.094 -0.012 0.000 1.041 487 V CA 1.967 64.237 62.300 -0.050 0.000 1.025 487 V CB -0.595 31.245 31.823 0.028 0.000 0.656 487 V HN 0.349 nan 8.190 nan 0.000 0.451 488 R N -0.024 120.494 120.500 0.030 0.000 2.103 488 R HA -0.271 4.061 4.340 -0.013 0.000 0.242 488 R C 2.425 178.725 176.300 -0.000 0.000 1.142 488 R CA 2.297 58.410 56.100 0.021 0.000 0.960 488 R CB -0.299 30.018 30.300 0.030 0.000 0.858 488 R HN 0.659 nan 8.270 nan 0.000 0.439 489 Q N -0.351 119.432 119.800 -0.028 0.000 2.084 489 Q HA -0.152 4.180 4.340 -0.013 0.000 0.202 489 Q C 2.023 177.993 176.000 -0.051 0.000 0.978 489 Q CA 1.943 57.720 55.803 -0.044 0.000 0.844 489 Q CB -0.155 28.532 28.738 -0.084 0.000 0.898 489 Q HN 0.274 nan 8.270 nan 0.000 0.426 490 S N -0.124 115.508 115.700 -0.113 0.000 2.400 490 S HA -0.089 4.373 4.470 -0.013 0.000 0.232 490 S C 1.820 176.422 174.600 0.003 0.000 1.025 490 S CA 0.944 59.109 58.200 -0.058 0.000 0.993 490 S CB -0.119 63.075 63.200 -0.010 0.000 0.808 490 S HN 0.441 nan 8.310 nan 0.000 0.478 491 L N 0.464 121.686 121.223 -0.002 0.000 2.270 491 L HA 0.230 4.562 4.340 -0.013 0.000 0.210 491 L C 0.650 177.527 176.870 0.011 0.000 1.104 491 L CA -0.060 54.774 54.840 -0.010 0.000 0.804 491 L CB -0.174 41.885 42.059 -0.001 0.000 0.937 491 L HN 0.281 nan 8.230 nan 0.000 0.450 492 L N 0.236 121.498 121.223 0.065 0.000 2.361 492 L HA 0.148 4.480 4.340 -0.013 0.000 0.278 492 L C -0.883 176.173 176.870 0.310 0.000 1.113 492 L CA 0.395 55.310 54.840 0.125 0.000 0.849 492 L CB 0.049 42.160 42.059 0.087 0.000 1.155 492 L HN -0.152 nan 8.230 nan 0.000 0.452 493 Y N 2.523 122.851 120.300 0.047 0.000 2.485 493 Y HA 0.466 5.008 4.550 -0.014 0.000 0.345 493 Y C 0.428 176.365 175.900 0.062 0.000 0.998 493 Y CA -1.367 56.773 58.100 0.066 0.000 1.059 493 Y CB 1.969 40.489 38.460 0.099 0.000 1.234 493 Y HN 0.737 nan 8.280 nan 0.000 0.461 494 S N 2.482 118.250 115.700 0.113 0.000 2.579 494 S HA 0.169 4.632 4.470 -0.013 0.000 0.275 494 S C 1.393 176.082 174.600 0.147 0.000 1.345 494 S CA -0.498 57.751 58.200 0.082 0.000 1.031 494 S CB 0.931 64.145 63.200 0.022 0.000 0.892 494 S HN 0.856 nan 8.310 nan 0.000 0.529 495 R N 0.865 121.443 120.500 0.130 0.000 2.117 495 R HA -0.197 4.135 4.340 -0.013 0.000 0.243 495 R C 2.215 178.701 176.300 0.311 0.000 1.143 495 R CA 2.028 58.249 56.100 0.202 0.000 0.968 495 R CB -0.405 29.953 30.300 0.096 0.000 0.863 495 R HN 0.952 nan 8.270 nan 0.000 0.444 496 E N 0.073 120.381 120.200 0.179 0.000 2.047 496 E HA -0.226 4.116 4.350 -0.013 0.000 0.191 496 E C 2.007 178.663 176.600 0.094 0.000 0.987 496 E CA 1.208 57.701 56.400 0.154 0.000 0.799 496 E CB 0.059 29.802 29.700 0.071 0.000 0.752 496 E HN 0.458 nan 8.360 nan 0.000 0.449 497 Q N -0.304 119.501 119.800 0.009 0.000 2.061 497 Q HA -0.151 4.181 4.340 -0.013 0.000 0.204 497 Q C 2.226 178.275 176.000 0.082 0.000 0.984 497 Q CA 1.404 57.128 55.803 -0.131 0.000 0.846 497 Q CB -0.334 28.106 28.738 -0.497 0.000 0.902 497 Q HN 0.436 nan 8.270 nan 0.000 0.421 498 G N 0.489 109.494 108.800 0.343 0.000 2.446 498 G HA2 -0.284 3.668 3.960 -0.013 0.000 0.217 498 G HA3 -0.284 3.668 3.960 -0.013 0.000 0.217 498 G C 1.022 175.998 174.900 0.126 0.000 1.168 498 G CA 0.602 45.998 45.100 0.494 0.000 0.771 498 G HN 0.526 nan 8.290 nan 0.000 0.551 499 W N 1.318 122.534 121.300 -0.141 0.000 2.381 499 W HA -0.093 4.559 4.660 -0.012 0.000 0.301 499 W C 2.110 178.480 176.519 -0.248 0.000 1.205 499 W CA 0.968 58.065 57.345 -0.413 0.000 1.285 499 W CB -0.035 29.324 29.460 -0.168 0.000 1.133 499 W HN 0.161 nan 8.180 nan 0.000 0.521 500 N N 0.834 119.360 118.700 -0.290 0.000 2.104 500 N HA -0.233 4.499 4.740 -0.013 0.000 0.190 500 N C 1.875 177.136 175.510 -0.416 0.000 1.024 500 N CA 2.055 54.773 53.050 -0.554 0.000 0.853 500 N CB -0.851 37.120 38.487 -0.860 0.000 1.008 500 N HN 0.312 nan 8.380 nan 0.000 0.424 501 R N 0.731 121.152 120.500 -0.133 0.000 2.073 501 R HA -0.033 4.299 4.340 -0.013 0.000 0.234 501 R C 1.786 178.073 176.300 -0.021 0.000 1.134 501 R CA 1.027 57.209 56.100 0.137 0.000 0.952 501 R CB -0.219 30.249 30.300 0.279 0.000 0.850 501 R HN 0.028 nan 8.270 nan 0.000 0.433 502 I N 1.250 121.676 120.570 -0.241 0.000 2.208 502 I HA -0.292 3.870 4.170 -0.013 0.000 0.245 502 I C 2.523 178.345 176.117 -0.491 0.000 1.097 502 I CA 1.498 62.565 61.300 -0.388 0.000 1.363 502 I CB -0.975 36.679 38.000 -0.577 0.000 1.051 502 I HN 0.412 nan 8.210 nan 0.000 0.413 503 M N -0.420 118.802 119.600 -0.630 0.000 2.067 503 M HA -0.299 4.173 4.480 -0.013 0.000 0.260 503 M C 2.533 178.760 176.300 -0.121 0.000 1.069 503 M CA 1.975 57.032 55.300 -0.405 0.000 1.117 503 M CB -0.506 31.739 32.600 -0.592 0.000 1.334 503 M HN 0.215 nan 8.290 nan 0.000 0.407 504 Y N 0.221 120.423 120.300 -0.163 0.000 2.097 504 Y HA -0.299 4.243 4.550 -0.014 0.000 0.282 504 Y C 2.259 178.135 175.900 -0.039 0.000 1.152 504 Y CA 1.833 59.910 58.100 -0.038 0.000 1.136 504 Y CB -0.997 37.555 38.460 0.152 0.000 0.975 504 Y HN 0.353 nan 8.280 nan 0.000 0.498 505 C N 0.334 119.412 119.300 -0.370 0.000 2.429 505 C HA -0.142 4.310 4.460 -0.013 0.000 0.277 505 C C 2.909 177.689 174.990 -0.350 0.000 1.262 505 C CA 1.230 60.000 59.018 -0.413 0.000 1.733 505 C CB -1.446 26.223 27.740 -0.119 0.000 2.010 505 C HN 0.638 nan 8.230 nan 0.000 0.483 506 L N -0.941 120.009 121.223 -0.456 0.000 2.072 506 L HA -0.065 4.267 4.340 -0.013 0.000 0.205 506 L C 2.167 178.720 176.870 -0.528 0.000 1.079 506 L CA 1.811 56.264 54.840 -0.646 0.000 0.752 506 L CB -0.400 40.962 42.059 -1.161 0.000 0.906 506 L HN 0.338 nan 8.230 nan 0.000 0.436 507 F N -1.571 118.377 119.950 -0.003 0.000 2.500 507 F HA 0.098 4.617 4.527 -0.014 0.000 0.285 507 F C 2.125 177.962 175.800 0.061 0.000 1.088 507 F CA 0.243 58.357 58.000 0.191 0.000 1.432 507 F CB 0.157 39.251 39.000 0.156 0.000 1.131 507 F HN -0.158 nan 8.300 nan 0.000 0.582 508 I N -0.266 120.222 120.570 -0.136 0.000 2.729 508 I HA -0.134 4.028 4.170 -0.013 0.000 0.256 508 I C 2.283 178.304 176.117 -0.160 0.000 1.115 508 I CA 0.557 61.696 61.300 -0.269 0.000 1.446 508 I CB -0.330 37.450 38.000 -0.366 0.000 1.176 508 I HN 0.133 nan 8.210 nan 0.000 0.446 509 N N 0.440 118.897 118.700 -0.405 0.000 2.216 509 N HA -0.204 4.528 4.740 -0.013 0.000 0.183 509 N C 1.668 177.120 175.510 -0.096 0.000 1.017 509 N CA 1.710 54.578 53.050 -0.304 0.000 0.861 509 N CB 0.188 38.324 38.487 -0.585 0.000 0.986 509 N HN 0.498 nan 8.380 nan 0.000 0.428 510 H N -0.753 118.231 119.070 -0.143 0.000 2.334 510 H HA 0.284 4.832 4.556 -0.014 0.000 0.307 510 H C 2.116 177.414 175.328 -0.050 0.000 1.092 510 H CA 0.119 56.128 56.048 -0.065 0.000 1.567 510 H CB 0.042 29.770 29.762 -0.057 0.000 1.505 510 H HN -0.043 nan 8.280 nan 0.000 0.637 511 L N 0.071 121.428 121.223 0.224 0.000 2.201 511 L HA -0.115 4.217 4.340 -0.013 0.000 0.212 511 L C 2.597 179.524 176.870 0.094 0.000 1.105 511 L CA 0.883 55.822 54.840 0.166 0.000 0.775 511 L CB -0.252 41.950 42.059 0.237 0.000 0.913 511 L HN 0.289 nan 8.230 nan 0.000 0.440 512 S N -0.580 115.309 115.700 0.315 0.000 2.383 512 S HA -0.148 4.315 4.470 -0.013 0.000 0.227 512 S C 1.942 176.599 174.600 0.095 0.000 1.026 512 S CA 1.079 59.507 58.200 0.380 0.000 0.981 512 S CB -0.020 63.492 63.200 0.520 0.000 0.818 512 S HN 0.372 nan 8.310 nan 0.000 0.472 513 E N 0.613 120.822 120.200 0.015 0.000 2.072 513 E HA -0.039 4.303 4.350 -0.013 0.000 0.190 513 E C 2.237 178.703 176.600 -0.223 0.000 0.982 513 E CA 1.154 57.518 56.400 -0.059 0.000 0.803 513 E CB -0.994 28.686 29.700 -0.033 0.000 0.755 513 E HN 0.488 nan 8.360 nan 0.000 0.453 514 T N 2.194 116.458 114.554 -0.484 0.000 2.607 514 T HA -0.168 4.174 4.350 -0.013 0.000 0.267 514 T C 2.159 176.631 174.700 -0.379 0.000 1.049 514 T CA 1.402 62.958 62.100 -0.906 0.000 1.162 514 T CB -0.372 68.046 68.868 -0.749 0.000 0.863 514 T HN 0.102 nan 8.240 nan 0.000 0.424 515 I N 0.644 121.017 120.570 -0.328 0.000 2.163 515 I HA -0.140 4.023 4.170 -0.013 0.000 0.243 515 I C 2.493 178.479 176.117 -0.219 0.000 1.085 515 I CA 0.966 62.016 61.300 -0.417 0.000 1.347 515 I CB -0.354 37.238 38.000 -0.681 0.000 1.044 515 I HN 0.209 nan 8.210 nan 0.000 0.408 516 L N 0.690 121.832 121.223 -0.135 0.000 2.017 516 L HA -0.230 4.102 4.340 -0.013 0.000 0.208 516 L C 2.737 179.631 176.870 0.040 0.000 1.073 516 L CA 2.217 57.010 54.840 -0.078 0.000 0.745 516 L CB -0.736 41.238 42.059 -0.142 0.000 0.894 516 L HN 0.270 nan 8.230 nan 0.000 0.432 517 A N -0.161 122.677 122.820 0.029 0.000 1.877 517 A HA -0.200 4.113 4.320 -0.013 0.000 0.216 517 A C 2.180 179.796 177.584 0.052 0.000 1.186 517 A CA 1.378 53.479 52.037 0.107 0.000 0.620 517 A CB -0.710 18.397 19.000 0.178 0.000 0.822 517 A HN 0.474 nan 8.150 nan 0.000 0.443 518 L N 0.333 121.549 121.223 -0.011 0.000 2.275 518 L HA -0.103 4.229 4.340 -0.013 0.000 0.215 518 L C 2.132 178.960 176.870 -0.069 0.000 1.119 518 L CA 1.402 56.203 54.840 -0.065 0.000 0.790 518 L CB -0.136 41.877 42.059 -0.077 0.000 0.919 518 L HN 0.595 nan 8.230 nan 0.000 0.443 519 S N -2.179 113.493 115.700 -0.046 0.000 2.602 519 S HA 0.050 4.512 4.470 -0.013 0.000 0.240 519 S C 0.579 175.182 174.600 0.006 0.000 0.992 519 S CA -0.573 57.602 58.200 -0.042 0.000 0.971 519 S CB 0.037 63.190 63.200 -0.079 0.000 0.855 519 S HN 0.295 nan 8.310 nan 0.000 0.481 520 Q N 1.041 120.845 119.800 0.007 0.000 2.300 520 Q HA 0.346 4.678 4.340 -0.013 0.000 0.280 520 Q C 1.265 177.179 176.000 -0.144 0.000 1.033 520 Q CA 1.427 57.131 55.803 -0.165 0.000 0.903 520 Q CB 0.197 28.735 28.738 -0.332 0.000 1.195 520 Q HN 0.778 nan 8.270 nan 0.000 0.386 521 G N 4.340 113.052 108.800 -0.147 0.000 2.234 521 G HA2 -0.312 3.640 3.960 -0.013 0.000 0.260 521 G HA3 -0.312 3.640 3.960 -0.013 0.000 0.260 521 G C 0.276 175.143 174.900 -0.054 0.000 0.987 521 G CA 0.511 45.557 45.100 -0.090 0.000 0.625 521 G HN 0.644 nan 8.290 nan 0.000 0.532 522 R N 0.349 120.821 120.500 -0.045 0.000 2.674 522 R HA 0.300 4.632 4.340 -0.013 0.000 0.270 522 R C -1.644 174.639 176.300 -0.028 0.000 1.492 522 R CA -0.938 55.141 56.100 -0.034 0.000 1.624 522 R CB 1.334 31.610 30.300 -0.040 0.000 1.307 522 R HN 0.205 nan 8.270 nan 0.000 0.683 523 P HA -0.265 nan 4.420 nan 0.000 0.221 523 P C 0.938 178.224 177.300 -0.024 0.000 1.145 523 P CA 1.166 64.257 63.100 -0.014 0.000 0.795 523 P CB 0.405 32.098 31.700 -0.012 0.000 0.775 524 Q N 0.257 120.044 119.800 -0.022 0.000 2.291 524 Q HA -0.110 4.223 4.340 -0.013 0.000 0.206 524 Q C 2.050 178.037 176.000 -0.022 0.000 0.976 524 Q CA 1.171 56.964 55.803 -0.017 0.000 0.875 524 Q CB -1.375 27.356 28.738 -0.011 0.000 0.927 524 Q HN 0.317 nan 8.270 nan 0.000 0.450 525 L N 0.615 121.815 121.223 -0.039 0.000 2.201 525 L HA -0.063 4.269 4.340 -0.013 0.000 0.212 525 L C 2.656 179.462 176.870 -0.106 0.000 1.105 525 L CA 0.689 55.491 54.840 -0.064 0.000 0.775 525 L CB -0.713 41.300 42.059 -0.077 0.000 0.913 525 L HN 0.257 nan 8.230 nan 0.000 0.440 526 A N 1.440 124.204 122.820 -0.092 0.000 1.859 526 A HA -0.168 4.144 4.320 -0.013 0.000 0.217 526 A C 0.050 177.638 177.584 0.006 0.000 1.198 526 A CA 2.042 54.018 52.037 -0.103 0.000 0.629 526 A CB -1.972 17.022 19.000 -0.009 0.000 0.830 526 A HN 0.296 nan 8.150 nan 0.000 0.446 527 P HA -0.138 nan 4.420 nan 0.000 0.218 527 P C 1.550 178.929 177.300 0.131 0.000 1.148 527 P CA 1.059 64.256 63.100 0.162 0.000 0.822 527 P CB -0.238 31.516 31.700 0.089 0.000 0.784 528 L N -1.586 119.664 121.223 0.045 0.000 2.027 528 L HA -0.119 4.213 4.340 -0.013 0.000 0.206 528 L C 2.977 179.860 176.870 0.022 0.000 1.074 528 L CA 1.530 56.392 54.840 0.037 0.000 0.745 528 L CB -0.936 41.132 42.059 0.014 0.000 0.898 528 L HN -0.098 nan 8.230 nan 0.000 0.433 529 M N -1.439 118.084 119.600 -0.129 0.000 2.080 529 M HA -0.245 4.227 4.480 -0.013 0.000 0.260 529 M C 2.192 178.437 176.300 -0.092 0.000 1.068 529 M CA 2.211 57.297 55.300 -0.355 0.000 1.109 529 M CB -0.465 31.495 32.600 -1.065 0.000 1.342 529 M HN 0.251 nan 8.290 nan 0.000 0.405 530 W N -0.183 121.140 121.300 0.038 0.000 2.374 530 W HA -0.167 4.484 4.660 -0.014 0.000 0.288 530 W C 2.547 179.178 176.519 0.187 0.000 1.218 530 W CA 0.518 58.002 57.345 0.231 0.000 1.245 530 W CB -0.155 29.451 29.460 0.244 0.000 1.126 530 W HN 0.147 nan 8.180 nan 0.000 0.545 531 R N 0.416 121.097 120.500 0.302 0.000 2.115 531 R HA -0.065 4.267 4.340 -0.013 0.000 0.230 531 R C 2.151 178.479 176.300 0.047 0.000 1.111 531 R CA 1.270 57.438 56.100 0.115 0.000 0.976 531 R CB -0.204 30.150 30.300 0.089 0.000 0.870 531 R HN 0.076 nan 8.270 nan 0.000 0.445 532 R N -0.670 119.912 120.500 0.136 0.000 2.092 532 R HA -0.056 4.276 4.340 -0.013 0.000 0.231 532 R C 2.106 178.479 176.300 0.121 0.000 1.119 532 R CA 1.321 57.503 56.100 0.136 0.000 0.970 532 R CB -0.286 30.151 30.300 0.228 0.000 0.864 532 R HN 0.072 nan 8.270 nan 0.000 0.440 533 V N 1.364 121.422 119.914 0.240 0.000 2.252 533 V HA -0.336 3.776 4.120 -0.013 0.000 0.249 533 V C 2.544 178.593 176.094 -0.075 0.000 1.056 533 V CA 2.066 64.507 62.300 0.235 0.000 1.022 533 V CB -0.645 31.562 31.823 0.639 0.000 0.641 533 V HN 0.408 nan 8.190 nan 0.000 0.445 534 Q N -0.515 119.014 119.800 -0.450 0.000 2.061 534 Q HA -0.298 4.034 4.340 -0.013 0.000 0.204 534 Q C 2.366 178.158 176.000 -0.347 0.000 0.984 534 Q CA 2.188 57.511 55.803 -0.801 0.000 0.846 534 Q CB -0.092 27.875 28.738 -1.285 0.000 0.902 534 Q HN 0.737 nan 8.270 nan 0.000 0.421 535 Q N -0.172 119.507 119.800 -0.202 0.000 2.096 535 Q HA -0.250 4.082 4.340 -0.013 0.000 0.204 535 Q C 2.050 178.012 176.000 -0.064 0.000 0.982 535 Q CA 1.715 57.456 55.803 -0.104 0.000 0.850 535 Q CB -0.117 28.590 28.738 -0.052 0.000 0.901 535 Q HN 0.271 nan 8.270 nan 0.000 0.422 536 Q N 0.893 120.669 119.800 -0.040 0.000 2.084 536 Q HA -0.109 4.223 4.340 -0.013 0.000 0.202 536 Q C 1.824 177.830 176.000 0.010 0.000 0.978 536 Q CA 1.370 57.165 55.803 -0.013 0.000 0.844 536 Q CB -0.224 28.509 28.738 -0.008 0.000 0.898 536 Q HN 0.407 nan 8.270 nan 0.000 0.426 537 L N -0.148 121.088 121.223 0.021 0.000 2.042 537 L HA -0.237 4.095 4.340 -0.013 0.000 0.210 537 L C 2.561 179.443 176.870 0.020 0.000 1.076 537 L CA 1.765 56.645 54.840 0.067 0.000 0.749 537 L CB -0.465 41.643 42.059 0.082 0.000 0.893 537 L HN 0.241 nan 8.230 nan 0.000 0.432 538 R N -0.124 120.357 120.500 -0.032 0.000 2.091 538 R HA -0.160 4.172 4.340 -0.013 0.000 0.238 538 R C 2.429 178.715 176.300 -0.024 0.000 1.136 538 R CA 1.388 57.467 56.100 -0.036 0.000 0.959 538 R CB -0.559 29.709 30.300 -0.054 0.000 0.856 538 R HN 0.379 nan 8.270 nan 0.000 0.437 539 A N 1.439 124.249 122.820 -0.018 0.000 1.877 539 A HA -0.138 4.174 4.320 -0.013 0.000 0.216 539 A C 2.203 179.785 177.584 -0.003 0.000 1.186 539 A CA 1.215 53.245 52.037 -0.012 0.000 0.620 539 A CB -0.506 18.487 19.000 -0.012 0.000 0.822 539 A HN 0.167 nan 8.150 nan 0.000 0.443 540 I N -0.628 119.950 120.570 0.013 0.000 2.163 540 I HA -0.344 3.818 4.170 -0.013 0.000 0.243 540 I C 2.813 178.939 176.117 0.015 0.000 1.085 540 I CA 1.941 63.261 61.300 0.033 0.000 1.347 540 I CB -0.420 37.627 38.000 0.078 0.000 1.044 540 I HN 0.521 nan 8.210 nan 0.000 0.408 541 Q N 0.909 120.704 119.800 -0.009 0.000 2.152 541 Q HA -0.211 4.121 4.340 -0.013 0.000 0.206 541 Q C 2.184 178.146 176.000 -0.063 0.000 0.985 541 Q CA 1.926 57.688 55.803 -0.068 0.000 0.863 541 Q CB -0.317 28.366 28.738 -0.091 0.000 0.904 541 Q HN 0.601 nan 8.270 nan 0.000 0.422 542 G N -0.040 108.737 108.800 -0.038 0.000 2.443 542 G HA2 -0.232 3.720 3.960 -0.013 0.000 0.219 542 G HA3 -0.232 3.720 3.960 -0.013 0.000 0.219 542 G C 0.901 175.786 174.900 -0.024 0.000 1.131 542 G CA 0.758 45.838 45.100 -0.033 0.000 0.775 542 G HN 0.457 nan 8.290 nan 0.000 0.547 543 E N -0.456 119.737 120.200 -0.013 0.000 2.371 543 E HA 0.178 4.520 4.350 -0.013 0.000 0.194 543 E C 0.646 177.245 176.600 -0.002 0.000 1.012 543 E CA -0.441 55.959 56.400 -0.001 0.000 0.860 543 E CB 0.101 29.809 29.700 0.014 0.000 0.811 543 E HN 0.309 nan 8.360 nan 0.000 0.502 544 L N 1.732 122.946 121.223 -0.015 0.000 2.485 544 L HA 0.000 4.332 4.340 -0.013 0.000 0.275 544 L C 1.301 178.151 176.870 -0.034 0.000 1.207 544 L CA -0.040 54.791 54.840 -0.015 0.000 0.855 544 L CB 0.457 42.485 42.059 -0.052 0.000 1.114 544 L HN -0.054 nan 8.230 nan 0.000 0.485 545 K N 1.328 121.707 120.400 -0.035 0.000 2.393 545 K HA 0.153 4.465 4.320 -0.013 0.000 0.193 545 K C 0.087 176.645 176.600 -0.069 0.000 1.026 545 K CA 0.369 56.624 56.287 -0.053 0.000 1.064 545 K CB 0.381 32.843 32.500 -0.063 0.000 0.833 545 K HN 0.500 nan 8.250 nan 0.000 0.521 546 Q N 0.101 119.862 119.800 -0.065 0.000 2.433 546 Q HA 0.413 4.745 4.340 -0.013 0.000 0.279 546 Q C -2.577 173.377 176.000 -0.076 0.000 1.105 546 Q CA -2.371 53.393 55.803 -0.065 0.000 0.815 546 Q CB 1.230 29.931 28.738 -0.061 0.000 1.403 546 Q HN -0.152 nan 8.270 nan 0.000 0.435 547 P HA -0.007 nan 4.420 nan 0.000 0.264 547 P C -0.450 176.753 177.300 -0.160 0.000 1.183 547 P CA 0.397 63.431 63.100 -0.109 0.000 0.763 547 P CB 0.403 32.059 31.700 -0.074 0.000 0.807 548 S N 2.257 117.762 115.700 -0.325 0.000 2.327 548 S HA 0.276 4.738 4.470 -0.013 0.000 0.203 548 S C -1.786 172.562 174.600 -0.420 0.000 1.326 548 S CA -1.065 56.732 58.200 -0.671 0.000 1.248 548 S CB 0.508 62.903 63.200 -1.341 0.000 1.199 548 S HN 0.247 nan 8.310 nan 0.000 0.422 549 P HA -0.104 nan 4.420 nan 0.000 0.218 549 P C 0.930 178.115 177.300 -0.191 0.000 1.148 549 P CA 1.309 64.309 63.100 -0.165 0.000 0.822 549 P CB 0.168 31.803 31.700 -0.108 0.000 0.784 550 E N -0.465 119.572 120.200 -0.271 0.000 2.153 550 E HA -0.134 4.208 4.350 -0.013 0.000 0.194 550 E C 1.930 178.333 176.600 -0.328 0.000 0.988 550 E CA 0.658 56.781 56.400 -0.463 0.000 0.811 550 E CB -0.906 28.107 29.700 -1.146 0.000 0.746 550 E HN 0.139 nan 8.360 nan 0.000 0.466 551 L N 0.785 121.817 121.223 -0.319 0.000 2.095 551 L HA -0.075 4.257 4.340 -0.013 0.000 0.204 551 L C 1.205 178.085 176.870 0.017 0.000 1.080 551 L CA 1.666 56.467 54.840 -0.066 0.000 0.759 551 L CB -0.437 41.474 42.059 -0.248 0.000 0.914 551 L HN -0.024 nan 8.230 nan 0.000 0.439 552 D N 0.294 120.652 120.400 -0.070 0.000 2.127 552 D HA -0.266 4.366 4.640 -0.013 0.000 0.190 552 D C 2.147 178.498 176.300 0.084 0.000 1.000 552 D CA 1.940 55.935 54.000 -0.008 0.000 0.839 552 D CB -0.278 40.493 40.800 -0.048 0.000 0.955 552 D HN 0.462 nan 8.370 nan 0.000 0.446 553 A N 0.306 123.166 122.820 0.068 0.000 1.933 553 A HA -0.146 4.166 4.320 -0.013 0.000 0.218 553 A C 2.186 179.957 177.584 0.312 0.000 1.175 553 A CA 1.123 53.241 52.037 0.136 0.000 0.628 553 A CB -0.624 18.344 19.000 -0.053 0.000 0.814 553 A HN 0.251 nan 8.150 nan 0.000 0.444 554 L N -0.114 121.292 121.223 0.306 0.000 2.005 554 L HA -0.042 4.290 4.340 -0.013 0.000 0.207 554 L C 2.219 179.358 176.870 0.448 0.000 1.072 554 L CA 1.722 56.783 54.840 0.369 0.000 0.744 554 L CB -0.456 41.897 42.059 0.490 0.000 0.895 554 L HN 0.407 nan 8.230 nan 0.000 0.433 555 I N -0.043 120.738 120.570 0.352 0.000 2.264 555 I HA -0.304 3.858 4.170 -0.013 0.000 0.248 555 I C 2.434 178.741 176.117 0.317 0.000 1.111 555 I CA 1.232 62.692 61.300 0.266 0.000 1.382 555 I CB -0.592 37.457 38.000 0.081 0.000 1.060 555 I HN 0.371 nan 8.210 nan 0.000 0.418 556 A N 0.208 123.195 122.820 0.277 0.000 2.172 556 A HA 0.143 4.455 4.320 -0.013 0.000 0.216 556 A C 1.897 179.568 177.584 0.146 0.000 1.154 556 A CA 1.110 53.274 52.037 0.212 0.000 0.701 556 A CB -0.688 18.466 19.000 0.257 0.000 0.789 556 A HN 0.627 nan 8.150 nan 0.000 0.465 557 G N -1.880 107.049 108.800 0.215 0.000 2.134 557 G HA2 -0.193 3.759 3.960 -0.013 0.000 0.209 557 G HA3 -0.193 3.759 3.960 -0.013 0.000 0.209 557 G C -0.056 174.717 174.900 -0.211 0.000 0.993 557 G CA 0.186 45.257 45.100 -0.048 0.000 0.669 557 G HN 0.733 nan 8.290 nan 0.000 0.519 558 H N 1.127 120.185 119.070 -0.021 0.000 2.679 558 H HA 0.439 4.987 4.556 -0.013 0.000 0.369 558 H C -1.744 173.540 175.328 -0.074 0.000 1.178 558 H CA -0.612 55.420 56.048 -0.027 0.000 1.419 558 H CB 0.371 30.151 29.762 0.031 0.000 1.458 558 H HN 0.156 nan 8.280 nan 0.000 0.605 559 P HA -0.049 nan 4.420 nan 0.000 0.269 559 P C -0.880 176.432 177.300 0.021 0.000 1.211 559 P CA 0.164 63.268 63.100 0.008 0.000 0.781 559 P CB 0.554 32.271 31.700 0.027 0.000 0.877 560 V N 1.233 121.155 119.914 0.012 0.000 2.495 560 V HA 0.550 4.662 4.120 -0.013 0.000 0.298 560 V C 0.278 176.357 176.094 -0.025 0.000 1.031 560 V CA -1.021 61.272 62.300 -0.012 0.000 0.871 560 V CB 1.442 33.259 31.823 -0.011 0.000 0.988 560 V HN 0.678 nan 8.190 nan 0.000 0.432 561 A N 3.195 125.983 122.820 -0.053 0.000 2.477 561 A HA 0.458 4.770 4.320 -0.013 0.000 0.246 561 A C 0.001 177.664 177.584 0.132 0.000 1.078 561 A CA 0.003 52.031 52.037 -0.014 0.000 0.770 561 A CB 0.179 19.033 19.000 -0.243 0.000 1.011 561 A HN 1.067 nan 8.150 nan 0.000 0.494 562 C N 3.854 123.273 119.300 0.198 0.000 2.381 562 C HA 0.577 5.029 4.460 -0.013 0.000 0.328 562 C C 0.147 175.085 174.990 -0.085 0.000 1.190 562 C CA -0.900 58.206 59.018 0.146 0.000 1.369 562 C CB 0.101 27.860 27.740 0.031 0.000 2.029 562 C HN 1.003 nan 8.230 nan 0.000 0.448 563 K N 3.685 123.693 120.400 -0.653 0.000 2.401 563 K HA 0.299 4.611 4.320 -0.013 0.000 0.278 563 K C 0.321 176.553 176.600 -0.613 0.000 1.018 563 K CA 0.417 56.088 56.287 -1.026 0.000 0.981 563 K CB 0.627 32.227 32.500 -1.501 0.000 0.933 563 K HN 0.830 nan 8.250 nan 0.000 0.477 564 T N 1.730 115.983 114.554 -0.500 0.000 2.910 564 T HA 0.217 4.559 4.350 -0.013 0.000 0.323 564 T C 0.508 175.031 174.700 -0.296 0.000 1.091 564 T CA -0.970 60.922 62.100 -0.347 0.000 0.960 564 T CB 0.599 69.265 68.868 -0.336 0.000 1.024 564 T HN 0.526 nan 8.240 nan 0.000 0.509 565 N N 1.752 120.296 118.700 -0.260 0.000 2.171 565 N HA -0.055 4.678 4.740 -0.013 0.000 0.184 565 N C 1.633 176.963 175.510 -0.300 0.000 1.021 565 N CA 0.539 53.424 53.050 -0.275 0.000 0.854 565 N CB -0.327 37.971 38.487 -0.316 0.000 0.994 565 N HN 0.460 nan 8.380 nan 0.000 0.426 566 L N 2.006 123.089 121.223 -0.233 0.000 2.017 566 L HA -0.100 4.232 4.340 -0.013 0.000 0.208 566 L C 1.923 178.755 176.870 -0.063 0.000 1.073 566 L CA 1.760 56.521 54.840 -0.132 0.000 0.745 566 L CB -0.524 41.548 42.059 0.020 0.000 0.894 566 L HN -0.005 nan 8.230 nan 0.000 0.432 567 K N -1.167 119.185 120.400 -0.080 0.000 2.026 567 K HA -0.144 4.168 4.320 -0.013 0.000 0.208 567 K C 1.978 178.535 176.600 -0.073 0.000 1.048 567 K CA 1.610 57.865 56.287 -0.054 0.000 0.929 567 K CB -0.507 31.911 32.500 -0.137 0.000 0.713 567 K HN 0.229 nan 8.250 nan 0.000 0.439 568 V N 1.858 121.699 119.914 -0.121 0.000 2.250 568 V HA -0.318 3.794 4.120 -0.013 0.000 0.250 568 V C 2.383 178.438 176.094 -0.065 0.000 1.060 568 V CA 1.821 64.060 62.300 -0.101 0.000 1.030 568 V CB -0.439 31.310 31.823 -0.124 0.000 0.643 568 V HN 0.313 nan 8.190 nan 0.000 0.445 569 R N -0.974 119.478 120.500 -0.080 0.000 2.090 569 R HA 0.022 4.354 4.340 -0.013 0.000 0.228 569 R C 2.122 178.408 176.300 -0.023 0.000 1.110 569 R CA 0.853 56.922 56.100 -0.052 0.000 0.973 569 R CB -0.863 29.384 30.300 -0.088 0.000 0.869 569 R HN 0.347 nan 8.270 nan 0.000 0.440 570 L N 0.700 121.914 121.223 -0.015 0.000 2.046 570 L HA -0.091 4.241 4.340 -0.013 0.000 0.208 570 L C 2.312 179.186 176.870 0.007 0.000 1.077 570 L CA 1.872 56.719 54.840 0.012 0.000 0.747 570 L CB -1.364 40.724 42.059 0.048 0.000 0.896 570 L HN 0.103 nan 8.230 nan 0.000 0.432 571 A N -0.705 122.113 122.820 -0.004 0.000 1.841 571 A HA 0.215 4.527 4.320 -0.013 0.000 0.214 571 A C 1.354 178.936 177.584 -0.004 0.000 1.195 571 A CA 1.456 53.489 52.037 -0.006 0.000 0.611 571 A CB -0.684 18.304 19.000 -0.019 0.000 0.835 571 A HN 0.592 nan 8.150 nan 0.000 0.443 579 S N 1.074 116.602 115.700 -0.287 0.000 2.645 579 S HA 0.850 5.312 4.470 -0.013 0.000 0.266 579 S C -0.457 173.880 174.600 -0.437 0.000 1.258 579 S CA -0.205 57.858 58.200 -0.228 0.000 0.990 579 S CB 0.690 63.816 63.200 -0.125 0.000 0.967 579 S HN 0.693 nan 8.310 nan 0.000 0.556 580 Y N -0.514 119.708 120.300 -0.129 0.000 2.442 580 Y HA 0.526 5.068 4.550 -0.014 0.000 0.344 580 Y C 0.290 176.116 175.900 -0.123 0.000 0.976 580 Y CA -1.057 56.958 58.100 -0.142 0.000 1.040 580 Y CB 1.941 40.334 38.460 -0.112 0.000 1.228 580 Y HN 0.759 nan 8.280 nan 0.000 0.451 581 V N 0.333 120.250 119.914 0.004 0.000 3.211 581 V HA 0.722 4.834 4.120 -0.013 0.000 0.319 581 V C -0.382 175.720 176.094 0.014 0.000 1.096 581 V CA -1.167 61.118 62.300 -0.025 0.000 1.029 581 V CB 1.594 33.356 31.823 -0.102 0.000 1.137 581 V HN 0.657 nan 8.190 nan 0.000 0.453 582 R N 1.197 121.695 120.500 -0.004 0.000 2.589 582 R HA 0.731 5.063 4.340 -0.013 0.000 0.293 582 R C -1.159 175.145 176.300 0.007 0.000 0.963 582 R CA -0.598 55.505 56.100 0.006 0.000 0.905 582 R CB 1.667 31.971 30.300 0.006 0.000 1.144 582 R HN 0.766 nan 8.270 nan 0.000 0.459 583 L N 3.168 124.413 121.223 0.036 0.000 2.381 583 L HA 0.475 4.807 4.340 -0.013 0.000 0.268 583 L C -2.291 174.621 176.870 0.070 0.000 0.997 583 L CA -2.417 52.474 54.840 0.086 0.000 0.818 583 L CB 2.507 44.682 42.059 0.193 0.000 1.310 583 L HN 0.198 nan 8.230 nan 0.000 0.416 584 P HA -0.007 nan 4.420 nan 0.000 0.268 584 P C -0.299 176.800 177.300 -0.335 0.000 1.205 584 P CA -0.009 63.000 63.100 -0.151 0.000 0.771 584 P CB 0.786 32.391 31.700 -0.159 0.000 0.858 585 S N 3.868 119.299 115.700 -0.448 0.000 2.560 585 S HA 0.094 4.556 4.470 -0.013 0.000 0.284 585 S C -1.361 172.628 174.600 -1.017 0.000 1.327 585 S CA -0.865 56.830 58.200 -0.842 0.000 1.055 585 S CB -0.329 62.348 63.200 -0.873 0.000 0.868 585 S HN 0.273 nan 8.310 nan 0.000 0.506 586 P HA 0.148 nan 4.420 nan 0.000 0.233 586 P C -0.434 176.575 177.300 -0.485 0.000 1.167 586 P CA 0.604 63.035 63.100 -1.116 0.000 0.770 586 P CB -0.037 30.605 31.700 -1.763 0.000 0.837 587 W N 0.000 121.109 121.300 -0.318 0.000 2.388 587 W HA 0.000 4.651 4.660 -0.014 0.000 0.303 587 W CA 0.000 57.247 57.345 -0.163 0.000 1.226 587 W CB 0.000 29.407 29.460 -0.088 0.000 1.126 587 W HN 0.000 nan 8.180 nan 0.000 0.535