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 3phf_1_S DATA FIRST_RESID 20 DATA SEQUENCE LSEVKLHLDI EGHASHYTIP WTELMAKVPG LSPEALWREA NVTEDLASML DATA SEQUENCE NRYKLIYKTS GTLGIALAEP VDIPAVSEGS MQVDASKVHP GVISGLNSPA DATA SEQUENCE cMLSAPLEKQ LFYYIGTMLP NTRPHSYVFY QLRCHLSYVA LSINGDKFQY DATA SEQUENCE TGAMTSKFLM GTYKRVTEKG DEHVLSLVFG KTKDLPDLRG PFSYPSLTSA DATA SEQUENCE QSGDYSLVIV TTFVHYANFH NYFVPNLKDM FSRAVTMTAA SYARYVLQKL DATA SEQUENCE VLLEMKGGcR EPELDTETLT TMFEVSVAFF KVGHAVGETG NGcVDLRWLA DATA SEQUENCE KSFFELTVLK DIIGIcYGAT VKGMQSYGLE RLAAMLMATV KMEELGHLTT DATA SEQUENCE EKQEYALRLA TVGYPKAGVY SGLIGGATSV LLSAYNRHPL FQPLHTVMRE DATA SEQUENCE TLFIGSHVVL RELRLNVTTQ GPNLALYQLL STALcSALEI GEVLRGLALG DATA SEQUENCE TESGLFSPcY LSLRFDLTRD KLLSMAPQEA TLDQAAVSNA VDGFLGRLSL DATA SEQUENCE EREDRDAWHL PAYKcVDRLD KVLMIIPLIN VTFIISSDRE VRGSALYEAS DATA SEQUENCE TTYLSSSLFL SPVIMNKcSQ GAVAGEPRQI PKIQNFTRTQ KSCIFCGFAL DATA SEQUENCE LSYDEKEGLE TTTYITSQEV QNSILSSNYF DFDNLHVHYL LLTTNGTVME DATA SEQUENCE IAG 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 20 L HA 0.000 nan 4.340 nan 0.000 0.249 20 L C 0.000 176.702 176.870 -0.281 0.000 1.165 20 L CA 0.000 54.804 54.840 -0.060 0.000 0.813 20 L CB 0.000 42.035 42.059 -0.040 0.000 0.961 21 S N 1.553 116.880 115.700 -0.622 0.000 3.477 21 S HA -0.218 4.252 4.470 0.000 0.000 0.357 21 S C -0.330 173.610 174.600 -1.100 0.000 1.083 21 S CA 1.699 59.166 58.200 -1.221 0.000 1.042 21 S CB -0.876 61.963 63.200 -0.602 0.000 0.911 21 S HN 0.672 nan 8.310 nan 0.000 0.490 22 E N -1.422 118.250 120.200 -0.880 0.000 2.745 22 E HA 0.497 4.847 4.350 0.000 0.000 0.306 22 E C -1.642 174.920 176.600 -0.063 0.000 1.090 22 E CA -0.275 55.859 56.400 -0.443 0.000 0.893 22 E CB 1.449 30.980 29.700 -0.282 0.000 1.205 22 E HN 0.393 nan 8.360 nan 0.000 0.438 23 V N 4.548 124.492 119.914 0.049 0.000 2.697 23 V HA 0.468 4.588 4.120 0.000 0.000 0.296 23 V C -1.744 174.359 176.094 0.015 0.000 1.140 23 V CA -0.553 61.792 62.300 0.075 0.000 0.921 23 V CB 1.487 33.395 31.823 0.142 0.000 1.036 23 V HN 0.630 nan 8.190 nan 0.000 0.438 24 K N 6.708 127.077 120.400 -0.051 0.000 2.234 24 K HA 0.657 4.977 4.320 0.000 0.000 0.282 24 K C -0.680 175.709 176.600 -0.352 0.000 1.039 24 K CA -0.551 55.634 56.287 -0.169 0.000 0.928 24 K CB 1.587 33.973 32.500 -0.189 0.000 1.039 24 K HN 0.645 nan 8.250 nan 0.000 0.470 25 L N 0.179 121.209 121.223 -0.322 0.000 2.329 25 L HA 0.504 4.844 4.340 0.000 0.000 0.279 25 L C -0.963 175.643 176.870 -0.439 0.000 1.014 25 L CA -0.606 54.057 54.840 -0.296 0.000 0.814 25 L CB 1.172 43.197 42.059 -0.058 0.000 1.257 25 L HN 0.461 nan 8.230 nan 0.000 0.424 26 H N 3.230 122.261 119.070 -0.066 0.000 2.511 26 H HA 0.630 5.186 4.556 0.000 0.000 0.328 26 H C -0.773 174.531 175.328 -0.040 0.000 1.044 26 H CA -0.619 55.321 56.048 -0.180 0.000 1.212 26 H CB 1.333 30.869 29.762 -0.376 0.000 1.428 26 H HN 0.571 nan 8.280 nan 0.000 0.483 27 L N 2.273 123.574 121.223 0.130 0.000 2.326 27 L HA 0.142 4.482 4.340 0.000 0.000 0.278 27 L C 0.386 177.331 176.870 0.124 0.000 1.092 27 L CA -0.331 54.594 54.840 0.141 0.000 0.810 27 L CB 0.753 42.932 42.059 0.201 0.000 1.153 27 L HN 0.695 nan 8.230 nan 0.000 0.439 28 D N 4.035 124.493 120.400 0.096 0.000 2.781 28 D HA 0.160 4.800 4.640 0.000 0.000 0.254 28 D C 0.193 176.542 176.300 0.082 0.000 1.213 28 D CA -0.474 53.575 54.000 0.083 0.000 0.994 28 D CB 0.115 40.950 40.800 0.058 0.000 1.019 28 D HN 0.063 nan 8.370 nan 0.000 0.514 29 I N 1.435 122.068 120.570 0.105 0.000 2.813 29 I HA -0.048 4.122 4.170 0.000 0.000 0.287 29 I C 1.151 177.323 176.117 0.092 0.000 1.196 29 I CA -0.072 61.286 61.300 0.098 0.000 1.421 29 I CB 0.197 38.268 38.000 0.117 0.000 1.365 29 I HN 0.293 nan 8.210 nan 0.000 0.591 30 E N 4.602 124.846 120.200 0.074 0.000 2.877 30 E HA 0.154 4.504 4.350 0.000 0.000 0.230 30 E C 0.725 177.382 176.600 0.094 0.000 1.126 30 E CA 1.138 57.578 56.400 0.066 0.000 0.946 30 E CB -0.580 29.151 29.700 0.052 0.000 0.965 30 E HN 0.779 nan 8.360 nan 0.000 0.529 31 G N 4.360 113.205 108.800 0.074 0.000 3.146 31 G HA2 -0.252 3.708 3.960 0.000 0.000 0.242 31 G HA3 -0.252 3.708 3.960 0.000 0.000 0.242 31 G C -0.505 174.409 174.900 0.024 0.000 1.853 31 G CA -0.116 45.018 45.100 0.057 0.000 1.465 31 G HN 0.636 nan 8.290 nan 0.000 0.537 32 H N 1.883 120.974 119.070 0.035 0.000 2.732 32 H HA 0.629 5.185 4.556 0.000 0.000 0.351 32 H C 0.819 176.186 175.328 0.064 0.000 1.090 32 H CA 0.719 56.791 56.048 0.040 0.000 1.431 32 H CB 1.302 31.084 29.762 0.033 0.000 1.447 32 H HN 0.827 nan 8.280 nan 0.000 0.582 33 A N 2.881 125.806 122.820 0.175 0.000 2.269 33 A HA 0.421 4.742 4.320 0.000 0.000 0.302 33 A C -0.085 177.661 177.584 0.270 0.000 1.266 33 A CA -0.613 51.545 52.037 0.202 0.000 0.894 33 A CB 0.230 19.362 19.000 0.220 0.000 1.147 33 A HN 0.647 nan 8.150 nan 0.000 0.537 34 S N 1.201 117.039 115.700 0.232 0.000 2.585 34 S HA 0.529 4.999 4.470 0.000 0.000 0.277 34 S C -0.763 173.933 174.600 0.160 0.000 1.241 34 S CA -0.255 58.030 58.200 0.141 0.000 1.041 34 S CB 0.449 63.726 63.200 0.129 0.000 0.987 34 S HN 0.716 nan 8.310 nan 0.000 0.512 35 H N 1.154 120.030 119.070 -0.323 0.000 2.970 35 H HA 0.435 4.991 4.556 0.000 0.000 0.315 35 H C -1.503 173.570 175.328 -0.425 0.000 0.992 35 H CA -0.299 55.624 56.048 -0.208 0.000 1.363 35 H CB 0.310 30.045 29.762 -0.046 0.000 1.532 35 H HN 0.483 nan 8.280 nan 0.000 0.514 36 Y N 0.923 121.234 120.300 0.018 0.000 2.409 36 Y HA 0.440 4.991 4.550 0.000 0.000 0.343 36 Y C 0.275 176.144 175.900 -0.052 0.000 0.973 36 Y CA -1.035 57.064 58.100 -0.001 0.000 1.064 36 Y CB 1.978 40.434 38.460 -0.006 0.000 1.207 36 Y HN 0.495 nan 8.280 nan 0.000 0.452 37 T N 1.256 115.884 114.554 0.124 0.000 2.791 37 T HA 0.661 5.011 4.350 0.000 0.000 0.288 37 T C -0.634 174.105 174.700 0.064 0.000 0.999 37 T CA -0.591 61.540 62.100 0.051 0.000 0.952 37 T CB 0.183 69.067 68.868 0.028 0.000 0.938 37 T HN 0.501 nan 8.240 nan 0.000 0.444 38 I N 5.237 125.845 120.570 0.065 0.000 2.310 38 I HA 0.296 4.466 4.170 0.000 0.000 0.287 38 I C -2.399 173.773 176.117 0.092 0.000 1.073 38 I CA -2.496 58.859 61.300 0.092 0.000 1.216 38 I CB 1.386 39.459 38.000 0.123 0.000 1.415 38 I HN 0.386 nan 8.210 nan 0.000 0.480 39 P HA 0.048 nan 4.420 nan 0.000 0.256 39 P C 0.662 177.912 177.300 -0.083 0.000 1.689 39 P CA -0.434 62.589 63.100 -0.128 0.000 1.124 39 P CB -0.072 31.562 31.700 -0.110 0.000 1.766 40 W N 1.561 122.839 121.300 -0.037 0.000 2.721 40 W HA -0.072 4.588 4.660 0.000 0.000 0.245 40 W C 1.019 177.522 176.519 -0.027 0.000 1.276 40 W CA 0.757 58.082 57.345 -0.033 0.000 1.342 40 W CB -2.065 27.369 29.460 -0.045 0.000 1.135 40 W HN 0.176 nan 8.180 nan 0.000 0.654 41 T N 1.137 115.499 114.554 -0.320 0.000 2.737 41 T HA -0.267 4.083 4.350 0.000 0.000 0.265 41 T C 1.763 176.408 174.700 -0.092 0.000 1.038 41 T CA 2.239 64.177 62.100 -0.269 0.000 1.144 41 T CB -0.195 68.437 68.868 -0.394 0.000 0.866 41 T HN 0.313 nan 8.240 nan 0.000 0.434 42 E N -0.279 119.874 120.200 -0.078 0.000 2.158 42 E HA -0.020 4.331 4.350 0.000 0.000 0.191 42 E C 2.354 178.960 176.600 0.009 0.000 0.982 42 E CA 0.499 56.880 56.400 -0.032 0.000 0.823 42 E CB -0.179 29.501 29.700 -0.034 0.000 0.766 42 E HN 0.535 nan 8.360 nan 0.000 0.468 43 L N 0.396 121.642 121.223 0.038 0.000 2.046 43 L HA -0.178 4.162 4.340 0.000 0.000 0.208 43 L C 2.751 179.663 176.870 0.069 0.000 1.077 43 L CA 1.133 56.011 54.840 0.064 0.000 0.747 43 L CB -0.326 41.794 42.059 0.102 0.000 0.896 43 L HN 0.286 nan 8.230 nan 0.000 0.432 44 M N -0.875 118.782 119.600 0.094 0.000 2.346 44 M HA -0.206 4.274 4.480 0.000 0.000 0.263 44 M C 2.341 178.675 176.300 0.056 0.000 1.064 44 M CA 1.636 56.990 55.300 0.090 0.000 1.083 44 M CB -0.484 32.191 32.600 0.125 0.000 1.399 44 M HN 0.344 nan 8.290 nan 0.000 0.435 45 A N 0.353 123.196 122.820 0.038 0.000 1.874 45 A HA -0.090 4.230 4.320 0.000 0.000 0.214 45 A C 2.068 179.667 177.584 0.025 0.000 1.189 45 A CA 1.236 53.288 52.037 0.025 0.000 0.615 45 A CB -0.298 18.709 19.000 0.012 0.000 0.830 45 A HN 0.367 nan 8.150 nan 0.000 0.443 46 K N -0.728 119.687 120.400 0.025 0.000 2.432 46 K HA 0.159 4.479 4.320 0.000 0.000 0.196 46 K C -0.596 176.020 176.600 0.027 0.000 1.038 46 K CA 0.204 56.505 56.287 0.023 0.000 0.986 46 K CB 0.178 32.689 32.500 0.019 0.000 0.782 46 K HN 0.321 nan 8.250 nan 0.000 0.485 47 V N 1.613 121.548 119.914 0.034 0.000 2.680 47 V HA 0.146 4.266 4.120 0.000 0.000 0.309 47 V C -1.671 174.447 176.094 0.039 0.000 1.052 47 V CA -1.421 60.900 62.300 0.036 0.000 0.908 47 V CB 1.774 33.620 31.823 0.039 0.000 1.001 47 V HN -0.014 nan 8.190 nan 0.000 0.431 48 P HA 0.074 nan 4.420 nan 0.000 0.210 48 P C 1.349 178.671 177.300 0.037 0.000 1.173 48 P CA 1.207 64.330 63.100 0.039 0.000 0.898 48 P CB 0.412 32.138 31.700 0.043 0.000 0.758 49 G N 0.244 109.065 108.800 0.035 0.000 2.776 49 G HA2 -0.029 3.931 3.960 0.000 0.000 0.209 49 G HA3 -0.029 3.931 3.960 0.000 0.000 0.209 49 G C 0.754 175.670 174.900 0.027 0.000 1.145 49 G CA -0.256 44.861 45.100 0.030 0.000 0.791 49 G HN 0.223 nan 8.290 nan 0.000 0.530 50 L N 2.842 124.083 121.223 0.030 0.000 2.433 50 L HA 0.262 4.602 4.340 0.000 0.000 0.284 50 L C 0.078 176.965 176.870 0.028 0.000 1.120 50 L CA -0.429 54.425 54.840 0.024 0.000 0.879 50 L CB 0.498 42.577 42.059 0.034 0.000 1.232 50 L HN 0.132 nan 8.230 nan 0.000 0.454 51 S N 4.271 119.978 115.700 0.011 0.000 2.328 51 S HA 0.341 4.811 4.470 0.000 0.000 0.204 51 S C -1.439 173.142 174.600 -0.032 0.000 1.475 51 S CA -1.188 57.017 58.200 0.009 0.000 1.148 51 S CB 0.833 64.045 63.200 0.020 0.000 1.077 51 S HN 0.491 nan 8.310 nan 0.000 0.479 52 P HA -0.216 nan 4.420 nan 0.000 0.217 52 P C 1.285 178.477 177.300 -0.180 0.000 1.151 52 P CA 1.330 64.308 63.100 -0.203 0.000 0.849 52 P CB 0.231 31.673 31.700 -0.431 0.000 0.787 53 E N -0.038 120.063 120.200 -0.164 0.000 2.097 53 E HA -0.173 4.177 4.350 0.000 0.000 0.196 53 E C 2.178 178.802 176.600 0.040 0.000 1.000 53 E CA 1.663 58.017 56.400 -0.077 0.000 0.804 53 E CB -0.803 28.876 29.700 -0.034 0.000 0.740 53 E HN 0.258 nan 8.360 nan 0.000 0.454 54 A N 0.792 123.632 122.820 0.034 0.000 1.854 54 A HA -0.100 4.220 4.320 0.000 0.000 0.214 54 A C 2.458 180.097 177.584 0.092 0.000 1.192 54 A CA 1.068 53.144 52.037 0.064 0.000 0.611 54 A CB -0.797 18.235 19.000 0.053 0.000 0.832 54 A HN 0.211 nan 8.150 nan 0.000 0.442 55 L N -1.392 119.866 121.223 0.058 0.000 2.079 55 L HA -0.238 4.102 4.340 0.000 0.000 0.210 55 L C 2.631 179.575 176.870 0.124 0.000 1.081 55 L CA 1.602 56.468 54.840 0.043 0.000 0.752 55 L CB -0.519 41.448 42.059 -0.154 0.000 0.896 55 L HN 0.801 nan 8.230 nan 0.000 0.433 56 W N 1.293 122.549 121.300 -0.074 0.000 2.374 56 W HA -0.241 4.419 4.660 0.000 0.000 0.288 56 W C 2.527 179.051 176.519 0.010 0.000 1.218 56 W CA 1.464 58.774 57.345 -0.058 0.000 1.245 56 W CB -0.003 29.371 29.460 -0.145 0.000 1.126 56 W HN 0.111 nan 8.180 nan 0.000 0.545 57 R N 0.999 121.546 120.500 0.077 0.000 2.127 57 R HA -0.055 4.285 4.340 0.000 0.000 0.217 57 R C 2.145 178.443 176.300 -0.004 0.000 1.074 57 R CA 1.707 57.808 56.100 0.002 0.000 0.991 57 R CB -0.809 29.538 30.300 0.080 0.000 0.895 57 R HN 0.146 nan 8.270 nan 0.000 0.450 58 E N 0.333 120.582 120.200 0.083 0.000 2.070 58 E HA -0.134 4.216 4.350 0.000 0.000 0.197 58 E C 0.034 176.654 176.600 0.033 0.000 1.004 58 E CA 1.252 57.718 56.400 0.111 0.000 0.805 58 E CB -0.223 29.643 29.700 0.276 0.000 0.744 58 E HN 0.334 nan 8.360 nan 0.000 0.451 59 A N 2.267 125.123 122.820 0.060 0.000 2.343 59 A HA 0.077 4.397 4.320 0.000 0.000 0.305 59 A C -0.055 177.409 177.584 -0.200 0.000 1.308 59 A CA -0.370 51.627 52.037 -0.067 0.000 0.949 59 A CB -0.005 19.027 19.000 0.053 0.000 1.148 59 A HN 0.042 nan 8.150 nan 0.000 0.545 60 N N 3.001 121.607 118.700 -0.155 0.000 2.349 60 N HA -0.029 4.711 4.740 0.000 0.000 0.296 60 N C 1.476 176.850 175.510 -0.225 0.000 1.304 60 N CA 0.103 53.054 53.050 -0.164 0.000 1.051 60 N CB 0.369 38.794 38.487 -0.104 0.000 1.466 60 N HN 0.460 nan 8.380 nan 0.000 0.487 61 V N 1.578 121.276 119.914 -0.360 0.000 2.332 61 V HA -0.239 3.881 4.120 0.000 0.000 0.248 61 V C 2.106 178.079 176.094 -0.201 0.000 1.055 61 V CA 2.317 64.368 62.300 -0.415 0.000 1.038 61 V CB -1.014 30.402 31.823 -0.679 0.000 0.651 61 V HN 0.734 nan 8.190 nan 0.000 0.450 62 T N -1.486 112.986 114.554 -0.137 0.000 3.278 62 T HA 0.091 4.441 4.350 0.000 0.000 0.251 62 T C 0.629 175.287 174.700 -0.070 0.000 1.039 62 T CA -0.111 61.946 62.100 -0.071 0.000 0.935 62 T CB -0.632 68.217 68.868 -0.032 0.000 1.034 62 T HN 0.640 nan 8.240 nan 0.000 0.575 63 E N 3.159 123.302 120.200 -0.094 0.000 2.311 63 E HA 0.016 4.366 4.350 0.000 0.000 0.247 63 E C -0.185 176.370 176.600 -0.075 0.000 1.215 63 E CA -0.483 55.865 56.400 -0.086 0.000 0.957 63 E CB -0.368 29.268 29.700 -0.107 0.000 1.020 63 E HN 0.700 nan 8.360 nan 0.000 0.461 64 D N 3.180 123.546 120.400 -0.057 0.000 2.730 64 D HA -0.222 4.418 4.640 0.000 0.000 0.225 64 D C 1.178 177.442 176.300 -0.061 0.000 1.107 64 D CA 0.091 54.061 54.000 -0.049 0.000 0.837 64 D CB 0.708 41.485 40.800 -0.039 0.000 1.171 64 D HN 0.526 nan 8.370 nan 0.000 0.498 65 L N 2.674 123.862 121.223 -0.058 0.000 2.030 65 L HA -0.375 3.965 4.340 0.000 0.000 0.222 65 L C 2.507 179.335 176.870 -0.070 0.000 1.082 65 L CA 2.248 57.048 54.840 -0.066 0.000 0.785 65 L CB -0.732 41.295 42.059 -0.054 0.000 0.895 65 L HN 0.804 nan 8.230 nan 0.000 0.439 66 A N -0.322 122.464 122.820 -0.056 0.000 1.841 66 A HA -0.291 4.030 4.320 0.000 0.000 0.216 66 A C 2.409 179.957 177.584 -0.059 0.000 1.199 66 A CA 2.569 54.575 52.037 -0.052 0.000 0.621 66 A CB -1.101 17.875 19.000 -0.039 0.000 0.835 66 A HN 0.630 nan 8.150 nan 0.000 0.445 67 S N -0.611 115.053 115.700 -0.060 0.000 2.440 67 S HA -0.251 4.219 4.470 0.000 0.000 0.238 67 S C 1.989 176.534 174.600 -0.093 0.000 1.010 67 S CA 1.729 59.888 58.200 -0.068 0.000 0.972 67 S CB -0.748 62.414 63.200 -0.064 0.000 0.774 67 S HN 0.552 nan 8.310 nan 0.000 0.501 68 M N 1.488 121.026 119.600 -0.105 0.000 2.088 68 M HA -0.156 4.324 4.480 0.000 0.000 0.256 68 M C 1.970 178.190 176.300 -0.133 0.000 1.071 68 M CA 1.965 57.182 55.300 -0.138 0.000 1.097 68 M CB -0.540 31.968 32.600 -0.154 0.000 1.315 68 M HN 0.412 nan 8.290 nan 0.000 0.406 69 L N 0.160 121.326 121.223 -0.096 0.000 2.043 69 L HA -0.296 4.045 4.340 0.000 0.000 0.212 69 L C 1.853 178.723 176.870 0.001 0.000 1.075 69 L CA 1.903 56.726 54.840 -0.030 0.000 0.752 69 L CB -1.477 40.573 42.059 -0.015 0.000 0.891 69 L HN 0.416 nan 8.230 nan 0.000 0.432 70 N N -0.046 118.628 118.700 -0.043 0.000 2.258 70 N HA -0.202 4.538 4.740 0.000 0.000 0.187 70 N C 1.772 177.230 175.510 -0.088 0.000 1.012 70 N CA 0.968 53.988 53.050 -0.050 0.000 0.870 70 N CB -0.302 38.145 38.487 -0.067 0.000 0.977 70 N HN 0.272 nan 8.380 nan 0.000 0.434 71 R N -1.098 119.315 120.500 -0.143 0.000 2.310 71 R HA 0.021 4.361 4.340 0.000 0.000 0.202 71 R C 0.815 177.135 176.300 0.034 0.000 0.933 71 R CA 0.288 56.256 56.100 -0.219 0.000 1.054 71 R CB 0.112 30.206 30.300 -0.343 0.000 0.985 71 R HN 0.425 nan 8.270 nan 0.000 0.489 72 Y N -0.041 120.187 120.300 -0.121 0.000 2.652 72 Y HA 0.116 4.667 4.550 0.000 0.000 0.275 72 Y C 1.573 177.497 175.900 0.040 0.000 1.133 72 Y CA 0.186 58.214 58.100 -0.120 0.000 1.246 72 Y CB 0.357 38.576 38.460 -0.402 0.000 1.334 72 Y HN -0.120 nan 8.280 nan 0.000 0.493 73 K N 0.393 120.763 120.400 -0.051 0.000 2.432 73 K HA 0.009 4.329 4.320 0.000 0.000 0.196 73 K C 0.505 177.174 176.600 0.115 0.000 1.038 73 K CA 0.915 57.179 56.287 -0.039 0.000 0.986 73 K CB -0.010 32.518 32.500 0.046 0.000 0.782 73 K HN 0.368 nan 8.250 nan 0.000 0.485 74 L N 2.129 123.405 121.223 0.088 0.000 3.084 74 L HA 0.379 4.719 4.340 0.000 0.000 0.238 74 L C -1.180 175.741 176.870 0.085 0.000 1.327 74 L CA -0.305 54.630 54.840 0.159 0.000 1.094 74 L CB 0.332 42.445 42.059 0.090 0.000 1.477 74 L HN 0.140 nan 8.230 nan 0.000 0.514 75 I N -0.120 120.401 120.570 -0.082 0.000 2.692 75 I HA 0.130 4.300 4.170 0.000 0.000 0.293 75 I C -0.641 174.922 176.117 -0.923 0.000 1.200 75 I CA -0.759 60.352 61.300 -0.315 0.000 1.036 75 I CB 1.745 39.664 38.000 -0.136 0.000 1.258 75 I HN -0.072 nan 8.210 nan 0.000 0.421 76 Y N 6.648 126.327 120.300 -1.035 0.000 2.757 76 Y HA 0.015 4.565 4.550 0.000 0.000 0.344 76 Y C -0.147 175.325 175.900 -0.714 0.000 1.263 76 Y CA 0.570 57.950 58.100 -1.200 0.000 1.493 76 Y CB 0.467 38.524 38.460 -0.672 0.000 1.342 76 Y HN 0.323 nan 8.280 nan 0.000 0.627 77 K N 3.776 123.440 120.400 -1.227 0.000 2.545 77 K HA 0.151 4.471 4.320 0.000 0.000 0.252 77 K C -0.701 175.275 176.600 -1.040 0.000 0.948 77 K CA -0.499 55.318 56.287 -0.783 0.000 0.827 77 K CB 1.123 33.464 32.500 -0.265 0.000 1.128 77 K HN 0.733 nan 8.250 nan 0.000 0.429 78 T N -0.567 113.546 114.554 -0.735 0.000 3.058 78 T HA -0.016 4.335 4.350 0.000 0.000 0.249 78 T C 0.489 175.035 174.700 -0.258 0.000 0.949 78 T CA -0.452 61.370 62.100 -0.463 0.000 1.204 78 T CB -0.987 67.759 68.868 -0.205 0.000 0.963 78 T HN 0.388 nan 8.240 nan 0.000 0.634 79 S N 2.200 117.761 115.700 -0.233 0.000 3.605 79 S HA 0.383 4.853 4.470 0.000 0.000 0.200 79 S C 1.086 175.658 174.600 -0.046 0.000 0.975 79 S CA -0.498 57.645 58.200 -0.096 0.000 1.214 79 S CB -1.540 61.641 63.200 -0.031 0.000 1.557 79 S HN 1.874 nan 8.310 nan 0.000 0.516 80 G N 1.140 109.910 108.800 -0.050 0.000 3.445 80 G HA2 -0.050 3.910 3.960 0.000 0.000 0.686 80 G HA3 -0.050 3.910 3.960 0.000 0.000 0.686 80 G C -0.462 174.423 174.900 -0.025 0.000 1.113 80 G CA -0.907 44.179 45.100 -0.023 0.000 0.974 80 G HN 0.495 nan 8.290 nan 0.000 0.492 81 T N 3.775 118.316 114.554 -0.023 0.000 2.891 81 T HA 0.482 4.832 4.350 0.000 0.000 0.315 81 T C 1.047 175.737 174.700 -0.016 0.000 1.054 81 T CA -0.203 61.881 62.100 -0.026 0.000 0.958 81 T CB 0.160 69.015 68.868 -0.022 0.000 1.008 81 T HN 0.976 nan 8.240 nan 0.000 0.521 82 L N 1.542 122.755 121.223 -0.016 0.000 2.360 82 L HA 0.797 5.137 4.340 0.000 0.000 0.276 82 L C 0.631 177.499 176.870 -0.003 0.000 1.121 82 L CA -0.630 54.210 54.840 0.001 0.000 0.845 82 L CB 0.130 42.197 42.059 0.014 0.000 1.143 82 L HN 0.468 nan 8.230 nan 0.000 0.452 83 G N 4.185 113.000 108.800 0.025 0.000 2.417 83 G HA2 0.782 4.742 3.960 0.000 0.000 0.334 83 G HA3 0.782 4.742 3.960 0.000 0.000 0.334 83 G C -0.790 174.162 174.900 0.088 0.000 1.150 83 G CA -0.755 44.376 45.100 0.051 0.000 0.923 83 G HN 0.640 nan 8.290 nan 0.000 0.485 84 I N 0.249 120.905 120.570 0.143 0.000 2.722 84 I HA 0.436 4.606 4.170 0.000 0.000 0.295 84 I C 0.157 176.368 176.117 0.157 0.000 1.161 84 I CA -1.158 60.233 61.300 0.150 0.000 1.032 84 I CB 2.455 40.568 38.000 0.188 0.000 1.244 84 I HN 0.595 nan 8.210 nan 0.000 0.421 85 A N 7.483 130.370 122.820 0.112 0.000 2.395 85 A HA 0.729 5.049 4.320 0.000 0.000 0.286 85 A C -0.699 176.942 177.584 0.095 0.000 1.193 85 A CA 0.209 52.305 52.037 0.097 0.000 0.852 85 A CB -0.262 18.779 19.000 0.069 0.000 1.118 85 A HN 0.605 nan 8.150 nan 0.000 0.524 86 L N 2.215 123.502 121.223 0.107 0.000 2.505 86 L HA 0.657 4.997 4.340 0.000 0.000 0.266 86 L C -0.034 176.889 176.870 0.089 0.000 0.954 86 L CA -0.448 54.440 54.840 0.079 0.000 0.852 86 L CB 2.127 44.221 42.059 0.057 0.000 1.282 86 L HN 0.694 nan 8.230 nan 0.000 0.403 87 A N 2.166 125.024 122.820 0.063 0.000 2.330 87 A HA 0.665 4.985 4.320 0.000 0.000 0.327 87 A C -0.383 177.238 177.584 0.062 0.000 1.155 87 A CA -0.551 51.530 52.037 0.073 0.000 0.803 87 A CB 0.768 19.799 19.000 0.053 0.000 1.208 87 A HN 0.760 nan 8.150 nan 0.000 0.477 88 E N 1.961 122.219 120.200 0.097 0.000 2.452 88 E HA 0.227 4.577 4.350 0.000 0.000 0.261 88 E C -2.194 174.432 176.600 0.043 0.000 0.987 88 E CA -0.727 55.721 56.400 0.081 0.000 0.926 88 E CB -0.060 29.726 29.700 0.143 0.000 0.934 88 E HN 0.401 nan 8.360 nan 0.000 0.452 89 P HA 0.023 nan 4.420 nan 0.000 0.285 89 P C -0.839 176.474 177.300 0.021 0.000 1.259 89 P CA -0.529 62.587 63.100 0.027 0.000 0.794 89 P CB 0.847 32.567 31.700 0.033 0.000 0.940 90 V N 3.447 123.365 119.914 0.008 0.000 2.442 90 V HA -0.070 4.050 4.120 0.000 0.000 0.272 90 V C 0.538 176.609 176.094 -0.039 0.000 0.989 90 V CA 1.005 63.289 62.300 -0.026 0.000 1.123 90 V CB -0.528 31.279 31.823 -0.026 0.000 1.008 90 V HN 0.468 nan 8.190 nan 0.000 0.469 91 D N 5.183 125.516 120.400 -0.112 0.000 2.306 91 D HA 0.158 4.798 4.640 0.000 0.000 0.239 91 D C 0.562 176.399 176.300 -0.771 0.000 1.105 91 D CA 0.872 54.734 54.000 -0.230 0.000 0.950 91 D CB 0.031 40.739 40.800 -0.152 0.000 1.036 91 D HN 0.605 nan 8.370 nan 0.000 0.428 92 I N 3.236 123.222 120.570 -0.974 0.000 2.533 92 I HA 0.122 4.293 4.170 0.000 0.000 0.284 92 I C -1.798 174.028 176.117 -0.484 0.000 1.109 92 I CA -1.064 59.597 61.300 -1.065 0.000 1.412 92 I CB 0.114 37.621 38.000 -0.821 0.000 1.396 92 I HN 0.027 nan 8.210 nan 0.000 0.543 93 P HA 0.333 nan 4.420 nan 0.000 0.284 93 P C -0.737 176.489 177.300 -0.123 0.000 1.253 93 P CA -0.574 62.439 63.100 -0.146 0.000 0.800 93 P CB 1.156 32.827 31.700 -0.050 0.000 0.961 94 A N 3.278 126.045 122.820 -0.089 0.000 2.511 94 A HA 0.118 4.438 4.320 0.000 0.000 0.242 94 A C 0.667 178.221 177.584 -0.050 0.000 1.069 94 A CA -0.368 51.627 52.037 -0.071 0.000 0.763 94 A CB -0.244 18.723 19.000 -0.054 0.000 1.001 94 A HN 0.568 nan 8.150 nan 0.000 0.498 95 V N 3.804 123.691 119.914 -0.044 0.000 2.931 95 V HA 0.007 4.128 4.120 0.000 0.000 0.290 95 V C 0.985 177.067 176.094 -0.020 0.000 1.315 95 V CA 1.246 63.529 62.300 -0.027 0.000 1.393 95 V CB -0.123 31.686 31.823 -0.023 0.000 0.887 95 V HN 1.084 nan 8.190 nan 0.000 0.520 96 S N 5.054 120.746 115.700 -0.013 0.000 2.625 96 S HA 0.214 4.684 4.470 0.000 0.000 0.262 96 S C 0.994 175.587 174.600 -0.012 0.000 1.223 96 S CA -0.231 57.961 58.200 -0.013 0.000 0.993 96 S CB 0.578 63.770 63.200 -0.013 0.000 1.051 96 S HN 0.944 nan 8.310 nan 0.000 0.562 97 E N 1.261 121.454 120.200 -0.012 0.000 2.028 97 E HA -0.165 4.185 4.350 0.000 0.000 0.217 97 E C 1.530 178.125 176.600 -0.008 0.000 1.039 97 E CA 1.713 58.107 56.400 -0.010 0.000 0.882 97 E CB -0.855 28.839 29.700 -0.011 0.000 0.794 97 E HN 0.778 nan 8.360 nan 0.000 0.488 98 G N 0.166 108.963 108.800 -0.006 0.000 3.936 98 G HA2 0.140 4.100 3.960 0.000 0.000 0.296 98 G HA3 0.140 4.100 3.960 0.000 0.000 0.296 98 G C -0.373 174.528 174.900 0.001 0.000 1.121 98 G CA -0.189 44.910 45.100 -0.002 0.000 0.899 98 G HN 0.008 nan 8.290 nan 0.000 0.542 99 S N 2.236 117.936 115.700 0.001 0.000 3.106 99 S HA -0.008 4.462 4.470 0.000 0.000 0.363 99 S C 1.061 175.667 174.600 0.010 0.000 1.191 99 S CA 0.214 58.418 58.200 0.007 0.000 1.191 99 S CB 0.042 63.245 63.200 0.005 0.000 0.884 99 S HN 0.318 nan 8.310 nan 0.000 0.526 100 M N 3.482 123.092 119.600 0.016 0.000 2.248 100 M HA -0.010 4.470 4.480 0.000 0.000 0.343 100 M C 0.679 176.991 176.300 0.019 0.000 1.243 100 M CA 0.459 55.771 55.300 0.020 0.000 1.025 100 M CB 0.021 32.638 32.600 0.028 0.000 1.759 100 M HN 0.516 nan 8.290 nan 0.000 0.452 101 Q N 3.143 122.955 119.800 0.019 0.000 2.281 101 Q HA 0.258 4.598 4.340 0.000 0.000 0.267 101 Q C -0.856 175.151 176.000 0.012 0.000 1.053 101 Q CA 0.107 55.917 55.803 0.012 0.000 0.905 101 Q CB 0.250 28.996 28.738 0.013 0.000 1.195 101 Q HN 0.428 nan 8.270 nan 0.000 0.398 102 V N 3.399 123.310 119.914 -0.005 0.000 2.380 102 V HA 0.150 4.270 4.120 0.000 0.000 0.286 102 V C 0.011 176.072 176.094 -0.056 0.000 1.015 102 V CA -1.074 61.212 62.300 -0.024 0.000 0.834 102 V CB 1.732 33.545 31.823 -0.016 0.000 1.009 102 V HN 0.649 nan 8.190 nan 0.000 0.428 103 D N 4.307 124.656 120.400 -0.085 0.000 2.308 103 D HA 0.325 4.965 4.640 0.000 0.000 0.251 103 D C 1.077 177.297 176.300 -0.133 0.000 1.127 103 D CA 0.178 54.117 54.000 -0.100 0.000 0.876 103 D CB 2.435 43.171 40.800 -0.107 0.000 1.176 103 D HN 0.508 nan 8.370 nan 0.000 0.446 104 A N 3.734 126.470 122.820 -0.141 0.000 1.972 104 A HA -0.153 4.167 4.320 0.000 0.000 0.219 104 A C 2.162 179.593 177.584 -0.255 0.000 1.169 104 A CA 1.668 53.581 52.037 -0.208 0.000 0.635 104 A CB -0.488 18.378 19.000 -0.222 0.000 0.810 104 A HN 0.666 nan 8.150 nan 0.000 0.446 105 S N 0.062 115.655 115.700 -0.178 0.000 2.472 105 S HA -0.124 4.346 4.470 0.000 0.000 0.213 105 S C 0.987 175.542 174.600 -0.076 0.000 1.064 105 S CA 1.032 59.163 58.200 -0.115 0.000 1.144 105 S CB -0.314 62.851 63.200 -0.057 0.000 1.085 105 S HN 0.359 nan 8.310 nan 0.000 0.405 106 K N 2.906 123.247 120.400 -0.098 0.000 2.243 106 K HA 0.194 4.515 4.320 0.000 0.000 0.232 106 K C -0.752 175.718 176.600 -0.216 0.000 1.237 106 K CA -0.053 56.162 56.287 -0.121 0.000 1.161 106 K CB -0.484 31.928 32.500 -0.146 0.000 1.505 106 K HN 0.322 nan 8.250 nan 0.000 0.271 107 V N 4.570 124.413 119.914 -0.118 0.000 2.304 107 V HA -0.073 4.047 4.120 0.000 0.000 0.239 107 V C 0.670 176.746 176.094 -0.030 0.000 1.201 107 V CA -0.356 61.884 62.300 -0.100 0.000 1.254 107 V CB -1.442 30.350 31.823 -0.052 0.000 1.335 107 V HN 0.530 nan 8.190 nan 0.000 0.491 108 H N 6.702 125.772 119.070 0.000 0.000 3.157 108 H HA -0.087 4.469 4.556 0.000 0.000 0.279 108 H C -1.000 174.330 175.328 0.004 0.000 0.880 108 H CA -0.140 55.909 56.048 0.003 0.000 1.394 108 H CB 0.284 30.046 29.762 -0.001 0.000 1.247 108 H HN 0.458 nan 8.280 nan 0.000 0.553 109 P HA -0.080 nan 4.420 nan 0.000 0.234 109 P C 0.598 177.931 177.300 0.055 0.000 1.162 109 P CA 1.021 64.166 63.100 0.075 0.000 0.759 109 P CB 0.422 32.157 31.700 0.058 0.000 0.813 110 G N -0.661 108.179 108.800 0.066 0.000 2.524 110 G HA2 0.449 4.409 3.960 0.000 0.000 0.310 110 G HA3 0.449 4.409 3.960 0.000 0.000 0.310 110 G C -0.630 174.296 174.900 0.043 0.000 1.279 110 G CA -0.436 44.684 45.100 0.033 0.000 0.974 110 G HN -0.136 nan 8.290 nan 0.000 0.484 111 V N 0.709 120.639 119.914 0.027 0.000 3.332 111 V HA 0.138 4.258 4.120 0.000 0.000 0.305 111 V C 0.789 176.900 176.094 0.027 0.000 1.114 111 V CA 0.554 62.872 62.300 0.029 0.000 1.194 111 V CB 0.964 32.798 31.823 0.020 0.000 1.027 111 V HN 0.648 nan 8.190 nan 0.000 0.492 112 I N 1.326 121.917 120.570 0.034 0.000 3.336 112 I HA 0.282 4.452 4.170 0.000 0.000 0.323 112 I C -0.021 176.113 176.117 0.029 0.000 1.520 112 I CA 0.171 61.489 61.300 0.030 0.000 0.959 112 I CB 0.096 38.129 38.000 0.055 0.000 1.463 112 I HN 0.723 nan 8.210 nan 0.000 0.571 113 S N -1.113 114.604 115.700 0.027 0.000 2.660 113 S HA 0.649 5.119 4.470 0.000 0.000 0.264 113 S C 0.007 174.626 174.600 0.031 0.000 1.131 113 S CA -0.346 57.872 58.200 0.030 0.000 0.846 113 S CB 1.134 64.358 63.200 0.039 0.000 1.151 113 S HN 0.109 nan 8.310 nan 0.000 0.486 114 G N -0.335 108.487 108.800 0.036 0.000 2.529 114 G HA2 0.617 4.577 3.960 0.000 0.000 0.220 114 G HA3 0.617 4.577 3.960 0.000 0.000 0.220 114 G C 0.460 175.394 174.900 0.057 0.000 1.976 114 G CA 0.539 45.661 45.100 0.038 0.000 0.789 114 G HN 0.858 nan 8.290 nan 0.000 0.695 115 L N -0.881 120.383 121.223 0.068 0.000 1.768 115 L HA 0.179 4.519 4.340 0.000 0.000 0.178 115 L C 1.514 178.444 176.870 0.099 0.000 1.256 115 L CA 0.743 55.653 54.840 0.116 0.000 1.175 115 L CB -0.009 42.115 42.059 0.109 0.000 2.460 115 L HN 0.297 nan 8.230 nan 0.000 0.499 116 N N 0.558 119.284 118.700 0.044 0.000 2.494 116 N HA -0.044 4.696 4.740 0.000 0.000 0.182 116 N C 0.551 176.049 175.510 -0.019 0.000 1.076 116 N CA 0.684 53.731 53.050 -0.005 0.000 0.908 116 N CB -0.405 38.080 38.487 -0.002 0.000 0.967 116 N HN 0.398 nan 8.380 nan 0.000 0.449 117 S N 1.137 116.840 115.700 0.005 0.000 2.576 117 S HA 0.355 4.825 4.470 0.000 0.000 0.276 117 S C -2.527 172.072 174.600 -0.002 0.000 1.339 117 S CA -1.203 56.998 58.200 0.002 0.000 1.039 117 S CB 0.501 63.709 63.200 0.014 0.000 0.902 117 S HN -0.001 nan 8.310 nan 0.000 0.516 118 P HA 0.464 nan 4.420 nan 0.000 0.268 118 P C -0.930 176.378 177.300 0.013 0.000 1.205 118 P CA -0.006 63.089 63.100 -0.008 0.000 0.771 118 P CB 0.509 32.204 31.700 -0.009 0.000 0.858 119 A N 1.650 124.484 122.820 0.024 0.000 2.577 119 A HA 0.666 4.986 4.320 0.000 0.000 0.297 119 A C -0.867 176.746 177.584 0.048 0.000 1.060 119 A CA -0.414 51.647 52.037 0.040 0.000 0.697 119 A CB 0.706 19.743 19.000 0.062 0.000 1.281 119 A HN 0.759 nan 8.150 nan 0.000 0.402 120 c N 0.365 118.987 118.600 0.036 0.000 3.288 120 c HA 0.904 5.474 4.570 0.000 0.000 0.318 120 c C -0.720 173.381 174.090 0.018 0.000 1.356 120 c CA -0.839 55.512 56.329 0.037 0.000 1.359 120 c CB 0.692 43.216 42.510 0.023 0.000 1.688 120 c HN 0.972 nan 8.230 nan 0.000 0.467 121 M N 2.047 121.657 119.600 0.015 0.000 2.508 121 M HA 0.509 4.989 4.480 0.000 0.000 0.327 121 M C -0.636 175.656 176.300 -0.013 0.000 1.160 121 M CA -0.559 54.734 55.300 -0.011 0.000 0.980 121 M CB 1.775 34.357 32.600 -0.030 0.000 1.693 121 M HN 0.654 nan 8.290 nan 0.000 0.452 122 L N 1.555 122.761 121.223 -0.027 0.000 2.410 122 L HA 0.123 4.463 4.340 0.000 0.000 0.273 122 L C 1.155 178.012 176.870 -0.023 0.000 1.152 122 L CA -0.150 54.675 54.840 -0.026 0.000 0.855 122 L CB 0.874 42.913 42.059 -0.034 0.000 1.129 122 L HN 0.865 nan 8.230 nan 0.000 0.463 123 S N 2.229 117.919 115.700 -0.017 0.000 2.355 123 S HA -0.184 4.286 4.470 0.000 0.000 0.222 123 S C 2.088 176.680 174.600 -0.013 0.000 1.031 123 S CA 1.150 59.346 58.200 -0.007 0.000 0.993 123 S CB -0.174 63.016 63.200 -0.018 0.000 0.859 123 S HN 0.835 nan 8.310 nan 0.000 0.453 124 A N 2.835 125.640 122.820 -0.024 0.000 1.896 124 A HA -0.156 4.164 4.320 0.000 0.000 0.220 124 A C 0.495 178.062 177.584 -0.028 0.000 1.206 124 A CA 2.112 54.132 52.037 -0.028 0.000 0.647 124 A CB -1.841 17.142 19.000 -0.028 0.000 0.828 124 A HN 0.539 nan 8.150 nan 0.000 0.455 125 P HA -0.036 nan 4.420 nan 0.000 0.217 125 P C 1.764 179.034 177.300 -0.049 0.000 1.154 125 P CA 0.985 64.056 63.100 -0.048 0.000 0.841 125 P CB -0.187 31.472 31.700 -0.069 0.000 0.790 126 L N 0.918 122.116 121.223 -0.043 0.000 2.013 126 L HA -0.185 4.155 4.340 0.000 0.000 0.212 126 L C 2.585 179.490 176.870 0.057 0.000 1.073 126 L CA 2.213 57.038 54.840 -0.026 0.000 0.753 126 L CB -1.463 40.594 42.059 -0.004 0.000 0.890 126 L HN -0.123 nan 8.230 nan 0.000 0.432 127 E N -0.083 120.167 120.200 0.084 0.000 2.031 127 E HA -0.283 4.067 4.350 0.000 0.000 0.193 127 E C 2.298 179.002 176.600 0.173 0.000 0.994 127 E CA 1.727 58.225 56.400 0.165 0.000 0.800 127 E CB -0.299 29.436 29.700 0.058 0.000 0.752 127 E HN 0.458 nan 8.360 nan 0.000 0.447 128 K N -0.161 120.269 120.400 0.050 0.000 2.281 128 K HA -0.223 4.097 4.320 0.000 0.000 0.203 128 K C 2.163 178.805 176.600 0.070 0.000 1.046 128 K CA 1.478 57.770 56.287 0.007 0.000 0.938 128 K CB -0.022 32.455 32.500 -0.039 0.000 0.737 128 K HN 0.182 nan 8.250 nan 0.000 0.458 129 Q N 0.039 119.874 119.800 0.060 0.000 2.123 129 Q HA 0.004 4.344 4.340 0.000 0.000 0.196 129 Q C 2.018 178.070 176.000 0.086 0.000 0.958 129 Q CA 0.575 56.396 55.803 0.031 0.000 0.841 129 Q CB 0.167 28.831 28.738 -0.124 0.000 0.915 129 Q HN 0.294 nan 8.270 nan 0.000 0.455 130 L N -0.438 120.873 121.223 0.146 0.000 1.976 130 L HA -0.116 4.224 4.340 0.000 0.000 0.209 130 L C 0.684 177.575 176.870 0.035 0.000 1.071 130 L CA 0.880 55.798 54.840 0.130 0.000 0.746 130 L CB -0.224 41.981 42.059 0.243 0.000 0.890 130 L HN 0.182 nan 8.230 nan 0.000 0.432 131 F N -0.609 119.406 119.950 0.107 0.000 2.733 131 F HA 0.030 4.557 4.527 0.000 0.000 0.344 131 F C 1.286 177.140 175.800 0.091 0.000 1.179 131 F CA -0.431 57.639 58.000 0.116 0.000 1.316 131 F CB -0.883 38.180 39.000 0.106 0.000 1.577 131 F HN 0.024 nan 8.300 nan 0.000 0.591 132 Y N 0.197 120.501 120.300 0.007 0.000 2.286 132 Y HA -0.014 4.536 4.550 0.000 0.000 0.293 132 Y C 0.423 176.310 175.900 -0.022 0.000 1.124 132 Y CA 0.431 58.473 58.100 -0.097 0.000 1.178 132 Y CB -0.473 37.796 38.460 -0.319 0.000 1.010 132 Y HN 0.135 nan 8.280 nan 0.000 0.536 133 Y N 1.326 121.601 120.300 -0.041 0.000 2.336 133 Y HA 0.324 4.874 4.550 0.000 0.000 0.331 133 Y C 0.076 175.940 175.900 -0.061 0.000 1.211 133 Y CA -0.508 57.495 58.100 -0.163 0.000 1.346 133 Y CB 0.521 38.916 38.460 -0.108 0.000 1.271 133 Y HN -0.198 nan 8.280 nan 0.000 0.538 134 I N 1.266 121.852 120.570 0.026 0.000 2.648 134 I HA 0.723 4.893 4.170 0.000 0.000 0.304 134 I C 0.520 176.629 176.117 -0.013 0.000 1.009 134 I CA -0.305 60.942 61.300 -0.088 0.000 1.114 134 I CB 1.996 39.863 38.000 -0.222 0.000 1.293 134 I HN 0.817 nan 8.210 nan 0.000 0.449 135 G N 2.404 111.196 108.800 -0.013 0.000 2.791 135 G HA2 0.509 4.469 3.960 0.000 0.000 0.158 135 G HA3 0.509 4.469 3.960 0.000 0.000 0.158 135 G C -1.366 173.548 174.900 0.024 0.000 1.193 135 G CA -0.263 44.852 45.100 0.026 0.000 1.032 135 G HN 0.415 nan 8.290 nan 0.000 0.557 136 T N 1.754 116.332 114.554 0.041 0.000 3.089 136 T HA 0.270 4.620 4.350 0.000 0.000 0.340 136 T C 1.030 175.757 174.700 0.045 0.000 1.008 136 T CA -0.568 61.557 62.100 0.042 0.000 1.096 136 T CB 1.332 70.224 68.868 0.039 0.000 1.024 136 T HN 0.253 nan 8.240 nan 0.000 0.477 137 M N 1.656 121.281 119.600 0.042 0.000 2.202 137 M HA 0.097 4.577 4.480 0.000 0.000 0.262 137 M C 0.528 176.856 176.300 0.046 0.000 1.063 137 M CA 1.355 56.669 55.300 0.023 0.000 1.097 137 M CB -0.751 31.878 32.600 0.049 0.000 1.382 137 M HN 0.505 nan 8.290 nan 0.000 0.413 138 L N 1.405 122.672 121.223 0.074 0.000 2.301 138 L HA 0.333 4.673 4.340 0.000 0.000 0.278 138 L C -1.960 174.999 176.870 0.149 0.000 1.022 138 L CA -1.850 53.061 54.840 0.119 0.000 0.854 138 L CB 0.897 43.026 42.059 0.117 0.000 1.226 138 L HN -0.035 nan 8.230 nan 0.000 0.429 139 P HA 0.021 nan 4.420 nan 0.000 0.288 139 P C -0.358 176.978 177.300 0.061 0.000 1.291 139 P CA -0.245 62.905 63.100 0.084 0.000 0.766 139 P CB 1.035 32.754 31.700 0.031 0.000 1.242 140 N N -1.598 117.100 118.700 -0.003 0.000 2.273 140 N HA 0.051 4.791 4.740 0.000 0.000 0.231 140 N C -0.233 175.226 175.510 -0.084 0.000 1.134 140 N CA -0.111 52.925 53.050 -0.024 0.000 0.856 140 N CB -0.535 37.941 38.487 -0.019 0.000 1.068 140 N HN 0.401 nan 8.380 nan 0.000 0.510 141 T N -2.347 112.128 114.554 -0.131 0.000 2.918 141 T HA 0.167 4.517 4.350 0.000 0.000 0.302 141 T C 1.526 176.076 174.700 -0.249 0.000 1.045 141 T CA -0.356 61.622 62.100 -0.204 0.000 1.114 141 T CB 1.156 69.836 68.868 -0.313 0.000 0.965 141 T HN 0.119 nan 8.240 nan 0.000 0.540 142 R N 2.163 122.504 120.500 -0.266 0.000 2.112 142 R HA -0.097 4.243 4.340 0.000 0.000 0.242 142 R C -0.391 175.547 176.300 -0.603 0.000 1.137 142 R CA 2.108 57.937 56.100 -0.452 0.000 0.944 142 R CB -1.819 28.317 30.300 -0.272 0.000 0.857 142 R HN 0.674 nan 8.270 nan 0.000 0.435 143 P HA -0.207 nan 4.420 nan 0.000 0.212 143 P C 0.816 178.115 177.300 -0.000 0.000 1.178 143 P CA 1.786 64.846 63.100 -0.067 0.000 0.915 143 P CB -0.386 31.331 31.700 0.030 0.000 0.788 144 H N -0.364 118.650 119.070 -0.094 0.000 2.321 144 H HA -0.027 4.529 4.556 0.000 0.000 0.300 144 H C 2.335 177.624 175.328 -0.065 0.000 1.087 144 H CA 0.936 56.969 56.048 -0.025 0.000 1.319 144 H CB -0.397 29.422 29.762 0.094 0.000 1.379 144 H HN 0.140 nan 8.280 nan 0.000 0.501 145 S N 0.381 116.081 115.700 0.001 0.000 2.462 145 S HA -0.166 4.304 4.470 0.000 0.000 0.243 145 S C 1.248 175.871 174.600 0.038 0.000 1.003 145 S CA 1.007 59.186 58.200 -0.034 0.000 0.970 145 S CB -0.231 62.890 63.200 -0.131 0.000 0.762 145 S HN 0.398 nan 8.310 nan 0.000 0.510 146 Y N -0.163 120.121 120.300 -0.028 0.000 2.448 146 Y HA 0.197 4.747 4.550 0.000 0.000 0.289 146 Y C 2.122 177.966 175.900 -0.095 0.000 1.114 146 Y CA -0.557 57.531 58.100 -0.020 0.000 1.235 146 Y CB -0.491 37.986 38.460 0.030 0.000 1.045 146 Y HN 0.090 nan 8.280 nan 0.000 0.554 147 V N -1.880 117.886 119.914 -0.246 0.000 2.599 147 V HA 0.032 4.152 4.120 0.000 0.000 0.237 147 V C 0.347 176.065 176.094 -0.627 0.000 1.081 147 V CA 0.379 62.194 62.300 -0.808 0.000 1.107 147 V CB -0.325 30.650 31.823 -1.414 0.000 0.808 147 V HN -0.154 nan 8.190 nan 0.000 0.486 148 F N -1.249 118.581 119.950 -0.199 0.000 2.370 148 F HA 0.492 5.019 4.527 0.000 0.000 0.319 148 F C -0.209 175.531 175.800 -0.101 0.000 1.129 148 F CA -1.184 56.739 58.000 -0.128 0.000 1.109 148 F CB 0.091 39.045 39.000 -0.076 0.000 1.262 148 F HN -0.032 nan 8.300 nan 0.000 0.534 149 Y N 1.387 121.825 120.300 0.229 0.000 2.341 149 Y HA 0.176 4.726 4.550 0.000 0.000 0.340 149 Y C 0.241 176.214 175.900 0.122 0.000 0.997 149 Y CA -0.724 57.456 58.100 0.134 0.000 1.149 149 Y CB 0.440 38.959 38.460 0.098 0.000 1.171 149 Y HN 0.359 nan 8.280 nan 0.000 0.494 150 Q N 3.432 123.387 119.800 0.258 0.000 2.859 150 Q HA -0.114 4.226 4.340 0.000 0.000 0.364 150 Q C -0.820 175.275 176.000 0.158 0.000 1.067 150 Q CA 0.703 56.611 55.803 0.175 0.000 1.162 150 Q CB 0.347 29.167 28.738 0.136 0.000 1.023 150 Q HN 0.558 nan 8.270 nan 0.000 0.415 151 L N 3.223 124.523 121.223 0.128 0.000 2.354 151 L HA 0.581 4.921 4.340 0.000 0.000 0.269 151 L C -0.814 176.103 176.870 0.079 0.000 1.005 151 L CA -0.405 54.500 54.840 0.109 0.000 0.819 151 L CB 1.907 44.043 42.059 0.129 0.000 1.311 151 L HN 0.620 nan 8.230 nan 0.000 0.423 152 R N 4.460 124.995 120.500 0.059 0.000 2.518 152 R HA 0.703 5.043 4.340 0.000 0.000 0.296 152 R C -1.937 174.365 176.300 0.003 0.000 1.080 152 R CA -0.344 55.772 56.100 0.025 0.000 0.922 152 R CB 0.853 31.159 30.300 0.010 0.000 1.184 152 R HN 0.934 nan 8.270 nan 0.000 0.445 153 C N 0.383 119.678 119.300 -0.008 0.000 3.318 153 C HA 0.540 5.000 4.460 0.000 0.000 0.322 153 C C -0.249 174.720 174.990 -0.034 0.000 1.398 153 C CA -1.241 57.763 59.018 -0.024 0.000 1.339 153 C CB 1.379 29.156 27.740 0.061 0.000 1.668 153 C HN 0.763 nan 8.230 nan 0.000 0.462 154 H N 1.189 120.302 119.070 0.071 0.000 2.928 154 H HA 0.442 4.998 4.556 0.000 0.000 0.338 154 H C -0.107 175.369 175.328 0.246 0.000 1.047 154 H CA 0.989 57.116 56.048 0.131 0.000 1.435 154 H CB 0.592 30.439 29.762 0.141 0.000 1.428 154 H HN 0.609 nan 8.280 nan 0.000 0.590 155 L N 0.091 121.536 121.223 0.370 0.000 2.598 155 L HA 0.690 5.030 4.340 0.000 0.000 0.246 155 L C -0.507 176.427 176.870 0.108 0.000 1.124 155 L CA -1.078 53.974 54.840 0.352 0.000 1.019 155 L CB 0.790 42.937 42.059 0.147 0.000 1.583 155 L HN 0.605 nan 8.230 nan 0.000 0.386 156 S N -1.240 114.432 115.700 -0.047 0.000 2.556 156 S HA 0.780 5.250 4.470 0.000 0.000 0.280 156 S C -1.544 172.941 174.600 -0.191 0.000 1.141 156 S CA -0.626 57.423 58.200 -0.251 0.000 0.883 156 S CB 0.951 63.946 63.200 -0.342 0.000 1.103 156 S HN 1.492 nan 8.310 nan 0.000 0.453 157 Y N -0.615 119.593 120.300 -0.153 0.000 2.665 157 Y HA 0.902 5.452 4.550 0.000 0.000 0.336 157 Y C -1.234 174.514 175.900 -0.253 0.000 1.085 157 Y CA -2.006 55.976 58.100 -0.196 0.000 1.096 157 Y CB 0.676 39.021 38.460 -0.192 0.000 1.301 157 Y HN 0.564 nan 8.280 nan 0.000 0.493 158 V N 1.574 121.513 119.914 0.042 0.000 2.357 158 V HA 0.763 4.883 4.120 0.000 0.000 0.281 158 V C 0.134 176.155 176.094 -0.122 0.000 1.015 158 V CA -0.876 61.372 62.300 -0.087 0.000 0.827 158 V CB 0.214 31.935 31.823 -0.170 0.000 1.018 158 V HN 1.109 nan 8.190 nan 0.000 0.432 159 A N 4.921 127.701 122.820 -0.066 0.000 2.371 159 A HA 0.827 5.147 4.320 0.000 0.000 0.257 159 A C -0.761 176.789 177.584 -0.056 0.000 1.089 159 A CA -0.127 51.821 52.037 -0.149 0.000 0.794 159 A CB 0.923 19.834 19.000 -0.149 0.000 1.029 159 A HN 0.825 nan 8.150 nan 0.000 0.488 160 L N 1.203 122.393 121.223 -0.054 0.000 2.472 160 L HA 0.712 5.052 4.340 0.000 0.000 0.260 160 L C -0.467 176.408 176.870 0.008 0.000 0.963 160 L CA 0.212 55.074 54.840 0.037 0.000 0.829 160 L CB 2.287 44.434 42.059 0.146 0.000 1.348 160 L HN 0.675 nan 8.230 nan 0.000 0.408 161 S N 4.750 120.471 115.700 0.037 0.000 2.706 161 S HA 0.820 5.290 4.470 0.000 0.000 0.270 161 S C -1.247 173.391 174.600 0.063 0.000 1.163 161 S CA -0.556 57.663 58.200 0.033 0.000 1.042 161 S CB 0.365 63.568 63.200 0.004 0.000 1.079 161 S HN 0.424 nan 8.310 nan 0.000 0.474 162 I N 3.105 123.741 120.570 0.109 0.000 3.067 162 I HA 0.548 4.718 4.170 0.000 0.000 0.312 162 I C 0.725 176.883 176.117 0.069 0.000 1.073 162 I CA -0.904 60.442 61.300 0.076 0.000 1.016 162 I CB 1.099 39.118 38.000 0.031 0.000 1.227 162 I HN 0.762 nan 8.210 nan 0.000 0.456 163 N N 2.052 120.761 118.700 0.014 0.000 2.678 163 N HA -0.185 4.555 4.740 0.000 0.000 0.249 163 N C 0.594 176.110 175.510 0.010 0.000 1.119 163 N CA 1.390 54.438 53.050 -0.003 0.000 0.718 163 N CB -1.171 37.302 38.487 -0.023 0.000 1.060 163 N HN 1.138 nan 8.380 nan 0.000 0.552 164 G N 0.430 109.239 108.800 0.016 0.000 2.415 164 G HA2 -0.243 3.717 3.960 0.000 0.000 0.283 164 G HA3 -0.243 3.717 3.960 0.000 0.000 0.283 164 G C 0.149 175.053 174.900 0.008 0.000 1.014 164 G CA 0.199 45.305 45.100 0.009 0.000 1.323 164 G HN 0.535 nan 8.290 nan 0.000 0.502 165 D N -1.340 119.066 120.400 0.011 0.000 3.070 165 D HA -0.187 4.453 4.640 0.000 0.000 0.220 165 D C 1.617 177.919 176.300 0.004 0.000 1.176 165 D CA 1.805 55.803 54.000 -0.004 0.000 0.924 165 D CB -0.323 40.465 40.800 -0.019 0.000 1.124 165 D HN 0.753 nan 8.370 nan 0.000 0.411 166 K N -0.869 119.551 120.400 0.032 0.000 2.400 166 K HA 0.090 4.410 4.320 0.000 0.000 0.194 166 K C 0.536 177.206 176.600 0.118 0.000 1.033 166 K CA 0.286 56.599 56.287 0.043 0.000 1.021 166 K CB 0.585 33.100 32.500 0.025 0.000 0.808 166 K HN 0.168 nan 8.250 nan 0.000 0.505 167 F N 1.580 121.502 119.950 -0.047 0.000 2.615 167 F HA 0.170 4.697 4.527 0.000 0.000 0.312 167 F C -1.959 173.838 175.800 -0.005 0.000 1.119 167 F CA -0.683 57.300 58.000 -0.029 0.000 0.979 167 F CB 1.541 40.496 39.000 -0.074 0.000 1.266 167 F HN -0.120 nan 8.300 nan 0.000 0.444 168 Q N 4.938 124.327 119.800 -0.685 0.000 2.391 168 Q HA 0.436 4.776 4.340 0.000 0.000 0.279 168 Q C -2.333 173.442 176.000 -0.375 0.000 1.028 168 Q CA -1.061 54.515 55.803 -0.378 0.000 0.836 168 Q CB 3.083 31.701 28.738 -0.200 0.000 1.414 168 Q HN 0.708 nan 8.270 nan 0.000 0.397 169 Y N 0.439 120.584 120.300 -0.259 0.000 2.499 169 Y HA 0.669 5.220 4.550 0.000 0.000 0.347 169 Y C -1.503 174.315 175.900 -0.137 0.000 0.987 169 Y CA -0.558 57.454 58.100 -0.147 0.000 1.044 169 Y CB 2.780 41.269 38.460 0.049 0.000 1.245 169 Y HN 0.753 nan 8.280 nan 0.000 0.461 170 T N 3.998 118.009 114.554 -0.904 0.000 2.890 170 T HA 0.400 4.750 4.350 0.000 0.000 0.295 170 T C -0.125 174.020 174.700 -0.925 0.000 0.993 170 T CA -0.429 61.209 62.100 -0.771 0.000 0.979 170 T CB 1.073 69.677 68.868 -0.441 0.000 0.967 170 T HN 0.948 nan 8.240 nan 0.000 0.441 171 G N 2.245 110.620 108.800 -0.708 0.000 3.506 171 G HA2 0.504 4.464 3.960 0.000 0.000 0.268 171 G HA3 0.504 4.464 3.960 0.000 0.000 0.268 171 G C 0.404 175.226 174.900 -0.130 0.000 0.959 171 G CA -0.576 44.308 45.100 -0.360 0.000 1.823 171 G HN 0.975 nan 8.290 nan 0.000 0.615 172 A N 2.969 125.717 122.820 -0.120 0.000 2.451 172 A HA 0.671 4.991 4.320 0.000 0.000 0.266 172 A C 0.351 177.878 177.584 -0.095 0.000 1.119 172 A CA -0.112 51.896 52.037 -0.049 0.000 0.786 172 A CB -0.020 18.946 19.000 -0.056 0.000 1.061 172 A HN 0.968 nan 8.150 nan 0.000 0.503 173 M N 1.866 121.426 119.600 -0.066 0.000 2.470 173 M HA 0.691 5.171 4.480 0.000 0.000 0.285 173 M C -0.690 175.656 176.300 0.077 0.000 1.213 173 M CA -0.431 54.814 55.300 -0.092 0.000 0.901 173 M CB 1.941 34.583 32.600 0.070 0.000 1.718 173 M HN 0.491 nan 8.290 nan 0.000 0.469 174 T N -0.438 114.101 114.554 -0.025 0.000 2.807 174 T HA 0.482 4.832 4.350 0.000 0.000 0.277 174 T C 0.979 175.799 174.700 0.200 0.000 1.006 174 T CA 0.110 62.297 62.100 0.145 0.000 1.006 174 T CB 1.470 70.226 68.868 -0.187 0.000 1.274 174 T HN 0.934 nan 8.240 nan 0.000 0.569 175 S N 0.199 115.707 115.700 -0.321 0.000 2.547 175 S HA 0.076 4.546 4.470 0.000 0.000 0.235 175 S C 1.284 175.984 174.600 0.166 0.000 0.980 175 S CA 0.687 58.676 58.200 -0.351 0.000 0.941 175 S CB -0.270 62.547 63.200 -0.638 0.000 0.763 175 S HN 0.680 nan 8.310 nan 0.000 0.532 176 K N -0.255 120.316 120.400 0.286 0.000 2.424 176 K HA 0.323 4.644 4.320 0.000 0.000 0.198 176 K C -0.189 176.768 176.600 0.595 0.000 1.190 176 K CA 0.192 56.761 56.287 0.471 0.000 0.935 176 K CB 0.782 33.488 32.500 0.343 0.000 1.087 176 K HN 0.592 nan 8.250 nan 0.000 0.524 177 F N -0.482 119.580 119.950 0.186 0.000 2.668 177 F HA 0.546 5.073 4.527 0.000 0.000 0.309 177 F C -1.592 173.893 175.800 -0.525 0.000 1.117 177 F CA -1.688 56.181 58.000 -0.220 0.000 0.951 177 F CB 0.910 39.822 39.000 -0.147 0.000 1.323 177 F HN -0.299 nan 8.300 nan 0.000 0.451 178 L N 4.006 124.769 121.223 -0.766 0.000 2.331 178 L HA 0.755 5.095 4.340 0.000 0.000 0.275 178 L C -1.117 175.751 176.870 -0.004 0.000 1.022 178 L CA -0.714 53.814 54.840 -0.520 0.000 0.812 178 L CB 1.877 43.584 42.059 -0.587 0.000 1.257 178 L HN 0.918 nan 8.230 nan 0.000 0.435 179 M N 4.459 124.070 119.600 0.018 0.000 2.167 179 M HA 0.377 4.857 4.480 0.000 0.000 0.218 179 M C -0.703 175.633 176.300 0.060 0.000 0.968 179 M CA -0.234 55.128 55.300 0.104 0.000 1.004 179 M CB 0.638 33.294 32.600 0.094 0.000 2.485 179 M HN 0.834 nan 8.290 nan 0.000 0.404 180 G N 2.153 111.052 108.800 0.164 0.000 2.444 180 G HA2 0.583 4.543 3.960 0.000 0.000 0.268 180 G HA3 0.583 4.543 3.960 0.000 0.000 0.268 180 G C -0.261 174.608 174.900 -0.051 0.000 1.203 180 G CA -0.095 45.064 45.100 0.099 0.000 0.835 180 G HN 0.625 nan 8.290 nan 0.000 0.543 181 T N -1.072 113.402 114.554 -0.134 0.000 2.861 181 T HA 0.581 4.931 4.350 0.000 0.000 0.287 181 T C -1.094 173.517 174.700 -0.149 0.000 1.003 181 T CA -0.762 61.253 62.100 -0.141 0.000 0.977 181 T CB 1.352 70.216 68.868 -0.008 0.000 0.996 181 T HN 0.324 nan 8.240 nan 0.000 0.448 182 Y N 1.364 121.643 120.300 -0.035 0.000 2.352 182 Y HA 0.700 5.250 4.550 0.000 0.000 0.326 182 Y C 0.577 176.454 175.900 -0.038 0.000 1.166 182 Y CA -1.248 56.782 58.100 -0.115 0.000 1.182 182 Y CB 1.696 39.971 38.460 -0.309 0.000 1.216 182 Y HN 0.752 nan 8.280 nan 0.000 0.474 183 K N 3.512 123.913 120.400 0.002 0.000 2.652 183 K HA 0.411 4.731 4.320 0.000 0.000 0.249 183 K C -1.231 175.308 176.600 -0.102 0.000 0.986 183 K CA -0.669 55.610 56.287 -0.013 0.000 0.867 183 K CB 1.365 33.791 32.500 -0.123 0.000 1.201 183 K HN 0.782 nan 8.250 nan 0.000 0.450 184 R N 2.787 123.343 120.500 0.093 0.000 2.873 184 R HA 0.683 5.023 4.340 0.000 0.000 0.264 184 R C -1.446 174.886 176.300 0.054 0.000 1.026 184 R CA -0.700 55.480 56.100 0.134 0.000 1.002 184 R CB 1.940 32.333 30.300 0.154 0.000 1.174 184 R HN 0.334 nan 8.270 nan 0.000 0.488 185 V N 1.864 121.808 119.914 0.050 0.000 2.612 185 V HA 0.229 4.349 4.120 0.000 0.000 0.301 185 V C -0.053 176.051 176.094 0.016 0.000 1.059 185 V CA -0.838 61.468 62.300 0.010 0.000 0.886 185 V CB 1.858 33.674 31.823 -0.012 0.000 1.007 185 V HN 0.917 nan 8.190 nan 0.000 0.426 186 T N 2.453 117.023 114.554 0.027 0.000 2.698 186 T HA 0.107 4.457 4.350 0.000 0.000 0.295 186 T C 1.323 176.024 174.700 0.001 0.000 1.007 186 T CA -0.484 61.632 62.100 0.026 0.000 0.980 186 T CB 0.632 69.533 68.868 0.055 0.000 1.036 186 T HN 0.731 nan 8.240 nan 0.000 0.526 187 E N 0.289 120.488 120.200 -0.001 0.000 2.171 187 E HA -0.088 4.262 4.350 0.000 0.000 0.197 187 E C 0.873 177.468 176.600 -0.009 0.000 0.997 187 E CA 1.217 57.612 56.400 -0.008 0.000 0.810 187 E CB -0.113 29.583 29.700 -0.007 0.000 0.738 187 E HN 0.488 nan 8.360 nan 0.000 0.467 188 K N -0.421 119.975 120.400 -0.007 0.000 2.362 188 K HA 0.315 4.635 4.320 0.000 0.000 0.245 188 K C 1.166 177.752 176.600 -0.023 0.000 1.040 188 K CA 0.248 56.528 56.287 -0.012 0.000 0.961 188 K CB 0.753 33.249 32.500 -0.008 0.000 1.252 188 K HN 0.019 nan 8.250 nan 0.000 0.503 189 G N 1.019 109.802 108.800 -0.027 0.000 3.028 189 G HA2 -0.085 3.875 3.960 0.000 0.000 0.205 189 G HA3 -0.085 3.875 3.960 0.000 0.000 0.205 189 G C -0.368 174.496 174.900 -0.059 0.000 1.182 189 G CA 0.071 45.149 45.100 -0.038 0.000 0.860 189 G HN 0.532 nan 8.290 nan 0.000 0.507 190 D N 0.638 120.995 120.400 -0.071 0.000 2.450 190 D HA 0.156 4.796 4.640 0.000 0.000 0.247 190 D C 0.132 176.313 176.300 -0.199 0.000 1.162 190 D CA 0.520 54.432 54.000 -0.146 0.000 0.879 190 D CB 1.010 41.730 40.800 -0.133 0.000 1.163 190 D HN 0.360 nan 8.370 nan 0.000 0.472 191 E N 2.561 122.615 120.200 -0.242 0.000 2.141 191 E HA 0.133 4.483 4.350 0.000 0.000 0.259 191 E C -0.858 175.586 176.600 -0.260 0.000 0.883 191 E CA -0.728 55.556 56.400 -0.194 0.000 0.744 191 E CB 0.469 30.099 29.700 -0.117 0.000 1.150 191 E HN 0.403 nan 8.360 nan 0.000 0.420 192 H N 2.618 121.654 119.070 -0.057 0.000 2.467 192 H HA 0.380 4.936 4.556 0.000 0.000 0.326 192 H C -0.275 174.966 175.328 -0.144 0.000 1.094 192 H CA -0.536 55.403 56.048 -0.181 0.000 1.253 192 H CB 1.521 31.239 29.762 -0.074 0.000 1.439 192 H HN 0.336 nan 8.280 nan 0.000 0.479 193 V N 2.061 121.781 119.914 -0.323 0.000 2.841 193 V HA 0.651 4.771 4.120 0.000 0.000 0.310 193 V C -1.019 175.109 176.094 0.056 0.000 1.090 193 V CA -0.993 61.304 62.300 -0.005 0.000 0.930 193 V CB 2.187 33.901 31.823 -0.183 0.000 1.014 193 V HN 0.464 nan 8.190 nan 0.000 0.425 194 L N 3.402 124.606 121.223 -0.031 0.000 2.526 194 L HA 0.953 5.293 4.340 0.000 0.000 0.263 194 L C -0.439 176.367 176.870 -0.107 0.000 0.943 194 L CA 0.111 54.881 54.840 -0.117 0.000 0.859 194 L CB 2.152 43.939 42.059 -0.452 0.000 1.313 194 L HN 1.185 nan 8.230 nan 0.000 0.406 195 S N 4.239 119.935 115.700 -0.007 0.000 2.599 195 S HA 0.889 5.359 4.470 0.000 0.000 0.294 195 S C -0.904 173.654 174.600 -0.069 0.000 1.094 195 S CA -0.915 57.250 58.200 -0.058 0.000 0.931 195 S CB 1.779 65.023 63.200 0.073 0.000 1.093 195 S HN 0.715 nan 8.310 nan 0.000 0.488 196 L N 1.544 122.666 121.223 -0.169 0.000 2.346 196 L HA 0.694 5.034 4.340 0.000 0.000 0.276 196 L C -1.246 175.624 176.870 0.000 0.000 1.006 196 L CA -1.083 53.645 54.840 -0.188 0.000 0.817 196 L CB 2.063 43.719 42.059 -0.671 0.000 1.272 196 L HN 0.536 nan 8.230 nan 0.000 0.421 197 V N 2.679 122.668 119.914 0.126 0.000 2.444 197 V HA 0.429 4.549 4.120 0.000 0.000 0.294 197 V C -0.741 175.559 176.094 0.343 0.000 1.022 197 V CA -0.548 61.883 62.300 0.218 0.000 0.850 197 V CB 1.660 33.568 31.823 0.141 0.000 0.992 197 V HN 0.460 nan 8.190 nan 0.000 0.426 198 F N 3.177 123.271 119.950 0.241 0.000 2.522 198 F HA 0.982 5.509 4.527 0.000 0.000 0.324 198 F C 0.380 176.283 175.800 0.172 0.000 1.077 198 F CA 0.316 58.479 58.000 0.272 0.000 0.944 198 F CB 2.107 41.321 39.000 0.358 0.000 1.175 198 F HN 0.854 nan 8.300 nan 0.000 0.468 199 G N 3.509 111.876 108.800 -0.722 0.000 2.361 199 G HA2 0.120 4.080 3.960 0.000 0.000 0.305 199 G HA3 0.120 4.080 3.960 0.000 0.000 0.305 199 G C -1.888 172.916 174.900 -0.160 0.000 1.367 199 G CA -1.327 43.566 45.100 -0.345 0.000 0.951 199 G HN 0.656 nan 8.290 nan 0.000 0.615 200 K N 0.893 121.187 120.400 -0.176 0.000 2.447 200 K HA 0.237 4.557 4.320 0.000 0.000 0.281 200 K C 1.623 178.078 176.600 -0.241 0.000 1.031 200 K CA 0.529 56.575 56.287 -0.403 0.000 1.019 200 K CB 0.640 32.939 32.500 -0.336 0.000 0.918 200 K HN 0.523 nan 8.250 nan 0.000 0.476 201 T N 2.780 117.197 114.554 -0.229 0.000 2.751 201 T HA -0.261 4.089 4.350 0.000 0.000 0.268 201 T C 1.618 176.195 174.700 -0.206 0.000 1.045 201 T CA 2.066 64.042 62.100 -0.208 0.000 1.142 201 T CB -0.178 68.606 68.868 -0.139 0.000 0.851 201 T HN 0.653 nan 8.240 nan 0.000 0.474 202 K N 1.128 121.433 120.400 -0.159 0.000 2.365 202 K HA -0.012 4.308 4.320 0.000 0.000 0.199 202 K C 1.271 177.812 176.600 -0.099 0.000 1.045 202 K CA 1.340 57.561 56.287 -0.110 0.000 0.962 202 K CB 0.151 32.600 32.500 -0.084 0.000 0.759 202 K HN 0.170 nan 8.250 nan 0.000 0.469 203 D N 0.401 120.732 120.400 -0.114 0.000 2.360 203 D HA 0.068 4.708 4.640 0.000 0.000 0.210 203 D C -0.164 175.997 176.300 -0.232 0.000 1.047 203 D CA -0.098 53.854 54.000 -0.080 0.000 0.854 203 D CB 0.153 40.981 40.800 0.048 0.000 0.936 203 D HN 0.077 nan 8.370 nan 0.000 0.514 204 L N 2.159 123.173 121.223 -0.347 0.000 2.543 204 L HA 0.065 4.405 4.340 0.000 0.000 0.285 204 L C -1.668 174.991 176.870 -0.351 0.000 1.236 204 L CA -0.566 53.952 54.840 -0.537 0.000 0.871 204 L CB -0.592 40.963 42.059 -0.839 0.000 1.121 204 L HN -0.171 nan 8.230 nan 0.000 0.501 205 P HA -0.032 nan 4.420 nan 0.000 0.272 205 P C -1.103 176.293 177.300 0.159 0.000 1.239 205 P CA -0.072 62.885 63.100 -0.239 0.000 0.807 205 P CB 0.349 31.747 31.700 -0.502 0.000 0.951 206 D N 0.551 121.070 120.400 0.198 0.000 2.277 206 D HA 0.192 4.832 4.640 0.000 0.000 0.249 206 D C 0.109 176.629 176.300 0.367 0.000 1.134 206 D CA -0.084 54.084 54.000 0.280 0.000 0.863 206 D CB 0.531 41.472 40.800 0.235 0.000 1.143 206 D HN 0.185 nan 8.370 nan 0.000 0.458 207 L N 2.195 123.542 121.223 0.207 0.000 2.371 207 L HA 0.280 4.620 4.340 0.000 0.000 0.272 207 L C 1.853 178.787 176.870 0.105 0.000 1.124 207 L CA -0.417 54.443 54.840 0.034 0.000 0.816 207 L CB 1.255 43.224 42.059 -0.151 0.000 1.129 207 L HN 0.314 nan 8.230 nan 0.000 0.448 208 R N 1.981 122.409 120.500 -0.119 0.000 1.841 208 R HA 0.147 4.487 4.340 0.000 0.000 0.157 208 R C 1.067 177.322 176.300 -0.075 0.000 1.339 208 R CA 0.578 56.444 56.100 -0.390 0.000 1.482 208 R CB -0.531 29.377 30.300 -0.653 0.000 0.808 208 R HN 0.797 nan 8.270 nan 0.000 0.551 209 G N 0.512 109.293 108.800 -0.031 0.000 2.443 209 G HA2 -0.001 3.959 3.960 0.000 0.000 0.286 209 G HA3 -0.001 3.959 3.960 0.000 0.000 0.286 209 G C -2.036 172.704 174.900 -0.266 0.000 1.393 209 G CA -0.744 44.264 45.100 -0.153 0.000 1.080 209 G HN 0.363 nan 8.290 nan 0.000 0.566 210 P HA 0.201 nan 4.420 nan 0.000 0.245 210 P C -1.083 175.787 177.300 -0.716 0.000 1.670 210 P CA 0.432 63.199 63.100 -0.555 0.000 1.146 210 P CB -0.469 30.848 31.700 -0.637 0.000 1.954 211 F N 0.530 120.390 119.950 -0.149 0.000 2.540 211 F HA 0.461 4.988 4.527 0.000 0.000 0.317 211 F C 0.432 176.148 175.800 -0.140 0.000 1.104 211 F CA -0.676 57.255 58.000 -0.114 0.000 0.913 211 F CB 1.771 40.654 39.000 -0.194 0.000 1.170 211 F HN -0.107 nan 8.300 nan 0.000 0.450 212 S N 1.801 117.572 115.700 0.119 0.000 2.647 212 S HA 0.341 4.811 4.470 0.000 0.000 0.300 212 S C 0.255 174.885 174.600 0.051 0.000 1.129 212 S CA -0.719 57.510 58.200 0.049 0.000 1.029 212 S CB 0.538 63.770 63.200 0.052 0.000 1.007 212 S HN 0.640 nan 8.310 nan 0.000 0.484 213 Y N 2.741 123.076 120.300 0.059 0.000 2.173 213 Y HA -0.163 4.387 4.550 0.000 0.000 0.282 213 Y C -0.230 175.677 175.900 0.011 0.000 1.192 213 Y CA 2.324 60.443 58.100 0.030 0.000 1.176 213 Y CB -1.266 37.209 38.460 0.026 0.000 0.969 213 Y HN 0.569 nan 8.280 nan 0.000 0.519 214 P HA -0.191 nan 4.420 nan 0.000 0.216 214 P C 1.234 178.562 177.300 0.046 0.000 1.153 214 P CA 2.349 65.502 63.100 0.088 0.000 0.858 214 P CB -0.257 31.482 31.700 0.066 0.000 0.789 215 S N -1.657 114.071 115.700 0.046 0.000 2.786 215 S HA 0.134 4.604 4.470 0.000 0.000 0.223 215 S C 1.473 176.039 174.600 -0.057 0.000 0.956 215 S CA 0.163 58.362 58.200 -0.000 0.000 0.961 215 S CB -1.005 62.227 63.200 0.055 0.000 0.784 215 S HN 0.140 nan 8.310 nan 0.000 0.519 216 L N -0.361 120.854 121.223 -0.014 0.000 3.284 216 L HA 0.219 4.559 4.340 0.000 0.000 0.294 216 L C -0.074 176.817 176.870 0.035 0.000 1.183 216 L CA 0.015 54.837 54.840 -0.029 0.000 1.056 216 L CB 0.515 42.561 42.059 -0.021 0.000 1.513 216 L HN 0.138 nan 8.230 nan 0.000 0.601 217 T N -0.826 113.760 114.554 0.053 0.000 2.869 217 T HA 0.116 4.466 4.350 0.000 0.000 0.295 217 T C 0.955 175.637 174.700 -0.029 0.000 0.987 217 T CA 0.216 62.333 62.100 0.028 0.000 1.109 217 T CB 2.349 71.229 68.868 0.020 0.000 0.932 217 T HN -0.067 nan 8.240 nan 0.000 0.518 218 S N 1.336 117.005 115.700 -0.051 0.000 2.468 218 S HA 0.495 4.965 4.470 0.000 0.000 0.226 218 S C 0.558 175.073 174.600 -0.141 0.000 1.051 218 S CA 0.068 58.232 58.200 -0.060 0.000 0.943 218 S CB 0.191 63.385 63.200 -0.009 0.000 0.810 218 S HN 0.895 nan 8.310 nan 0.000 0.509 219 A N 0.817 123.450 122.820 -0.312 0.000 2.422 219 A HA 0.764 5.084 4.320 0.000 0.000 0.302 219 A C -0.976 176.233 177.584 -0.626 0.000 1.041 219 A CA -0.480 51.236 52.037 -0.535 0.000 0.708 219 A CB 1.529 19.977 19.000 -0.921 0.000 1.257 219 A HN 0.340 nan 8.150 nan 0.000 0.414 220 Q N 1.382 121.030 119.800 -0.255 0.000 2.305 220 Q HA 0.650 4.990 4.340 0.000 0.000 0.271 220 Q C -0.768 175.364 176.000 0.220 0.000 1.046 220 Q CA -0.393 55.408 55.803 -0.003 0.000 0.798 220 Q CB 2.060 30.800 28.738 0.004 0.000 1.286 220 Q HN 0.798 nan 8.270 nan 0.000 0.435 221 S N 0.759 116.689 115.700 0.383 0.000 2.623 221 S HA 0.457 4.927 4.470 0.000 0.000 0.287 221 S C 0.925 175.638 174.600 0.189 0.000 1.123 221 S CA -0.095 58.306 58.200 0.336 0.000 1.016 221 S CB 0.692 64.150 63.200 0.430 0.000 1.233 221 S HN 0.841 nan 8.310 nan 0.000 0.512 222 G N 0.138 109.027 108.800 0.147 0.000 2.534 222 G HA2 -0.015 3.945 3.960 0.000 0.000 0.217 222 G HA3 -0.015 3.945 3.960 0.000 0.000 0.217 222 G C -0.109 174.807 174.900 0.027 0.000 1.128 222 G CA 0.939 46.084 45.100 0.075 0.000 0.784 222 G HN 0.747 nan 8.290 nan 0.000 0.542 223 D N -2.940 117.468 120.400 0.014 0.000 2.619 223 D HA 0.147 4.787 4.640 0.000 0.000 0.300 223 D C -0.674 175.456 176.300 -0.283 0.000 1.502 223 D CA -0.617 53.298 54.000 -0.142 0.000 0.865 223 D CB -0.327 40.339 40.800 -0.225 0.000 1.343 223 D HN 0.223 nan 8.370 nan 0.000 0.447 224 Y N 0.617 120.971 120.300 0.090 0.000 2.462 224 Y HA 0.732 5.282 4.550 0.000 0.000 0.346 224 Y C -0.041 176.030 175.900 0.284 0.000 0.976 224 Y CA -0.821 57.356 58.100 0.129 0.000 1.044 224 Y CB 2.557 41.110 38.460 0.155 0.000 1.230 224 Y HN -0.203 nan 8.280 nan 0.000 0.455 225 S N 2.276 118.194 115.700 0.364 0.000 2.595 225 S HA 0.663 5.133 4.470 0.000 0.000 0.281 225 S C -2.044 172.698 174.600 0.237 0.000 1.117 225 S CA -0.682 57.612 58.200 0.156 0.000 0.873 225 S CB 2.165 65.344 63.200 -0.035 0.000 1.108 225 S HN 0.444 nan 8.310 nan 0.000 0.477 226 L N 2.699 123.929 121.223 0.012 0.000 2.427 226 L HA 0.598 4.938 4.340 0.000 0.000 0.264 226 L C -1.323 175.587 176.870 0.066 0.000 0.989 226 L CA -0.336 54.593 54.840 0.148 0.000 0.865 226 L CB 0.992 43.076 42.059 0.041 0.000 1.209 226 L HN 0.485 nan 8.230 nan 0.000 0.430 227 V N 5.472 125.459 119.914 0.123 0.000 2.644 227 V HA 0.465 4.585 4.120 0.000 0.000 0.295 227 V C 0.273 176.437 176.094 0.118 0.000 1.053 227 V CA -0.431 61.950 62.300 0.135 0.000 0.987 227 V CB 1.734 33.701 31.823 0.241 0.000 1.006 227 V HN 0.530 nan 8.190 nan 0.000 0.472 228 I N 3.966 124.603 120.570 0.111 0.000 2.405 228 I HA 0.329 4.499 4.170 0.000 0.000 0.280 228 I C -0.666 175.511 176.117 0.101 0.000 1.027 228 I CA -0.505 60.867 61.300 0.120 0.000 1.161 228 I CB 1.479 39.606 38.000 0.213 0.000 1.300 228 I HN 0.272 nan 8.210 nan 0.000 0.463 229 V N 5.122 125.083 119.914 0.078 0.000 2.348 229 V HA 0.597 4.717 4.120 0.000 0.000 0.270 229 V C 0.171 176.311 176.094 0.077 0.000 1.037 229 V CA -0.014 62.300 62.300 0.023 0.000 0.872 229 V CB 1.050 32.896 31.823 0.038 0.000 1.002 229 V HN 0.842 nan 8.190 nan 0.000 0.464 230 T N 2.723 117.311 114.554 0.057 0.000 2.770 230 T HA 0.427 4.777 4.350 0.000 0.000 0.323 230 T C -0.413 174.338 174.700 0.085 0.000 1.683 230 T CA 0.128 62.306 62.100 0.130 0.000 1.024 230 T CB 1.894 70.853 68.868 0.151 0.000 1.557 230 T HN 0.869 nan 8.240 nan 0.000 0.494 231 T N 0.615 115.287 114.554 0.197 0.000 2.918 231 T HA 0.558 4.908 4.350 0.000 0.000 0.283 231 T C 1.047 175.800 174.700 0.089 0.000 1.001 231 T CA -0.472 61.676 62.100 0.081 0.000 1.041 231 T CB 0.604 69.526 68.868 0.091 0.000 1.028 231 T HN 0.402 nan 8.240 nan 0.000 0.511 232 F N 1.079 121.115 119.950 0.143 0.000 2.134 232 F HA -0.037 4.490 4.527 0.000 0.000 0.299 232 F C 2.686 178.564 175.800 0.130 0.000 1.097 232 F CA 1.078 59.173 58.000 0.160 0.000 1.264 232 F CB -1.063 37.994 39.000 0.095 0.000 1.001 232 F HN 0.427 nan 8.300 nan 0.000 0.479 233 V N -0.423 119.622 119.914 0.220 0.000 2.324 233 V HA -0.335 3.785 4.120 0.000 0.000 0.250 233 V C 2.416 178.572 176.094 0.103 0.000 1.060 233 V CA 2.182 64.534 62.300 0.085 0.000 1.042 233 V CB -0.888 30.897 31.823 -0.064 0.000 0.650 233 V HN 0.366 nan 8.190 nan 0.000 0.450 234 H N -1.473 117.758 119.070 0.268 0.000 2.307 234 H HA -0.093 4.463 4.556 0.000 0.000 0.303 234 H C 2.188 177.664 175.328 0.248 0.000 1.073 234 H CA 1.783 58.001 56.048 0.283 0.000 1.338 234 H CB -0.709 29.285 29.762 0.387 0.000 1.389 234 H HN 0.501 nan 8.280 nan 0.000 0.503 235 Y N 1.788 122.233 120.300 0.242 0.000 2.283 235 Y HA -0.288 4.262 4.550 0.000 0.000 0.285 235 Y C 2.514 178.477 175.900 0.104 0.000 1.176 235 Y CA 1.222 59.374 58.100 0.087 0.000 1.229 235 Y CB -0.370 38.000 38.460 -0.150 0.000 0.975 235 Y HN 0.204 nan 8.280 nan 0.000 0.537 236 A N 0.164 123.043 122.820 0.099 0.000 1.841 236 A HA -0.242 4.078 4.320 0.000 0.000 0.214 236 A C 2.152 179.669 177.584 -0.110 0.000 1.195 236 A CA 1.770 53.799 52.037 -0.012 0.000 0.611 236 A CB -1.160 17.863 19.000 0.040 0.000 0.835 236 A HN 0.578 nan 8.150 nan 0.000 0.443 237 N N -1.551 117.035 118.700 -0.189 0.000 2.272 237 N HA -0.142 4.598 4.740 0.000 0.000 0.185 237 N C 1.194 176.477 175.510 -0.379 0.000 1.014 237 N CA 1.621 54.471 53.050 -0.332 0.000 0.870 237 N CB -0.327 37.683 38.487 -0.795 0.000 0.975 237 N HN 0.393 nan 8.380 nan 0.000 0.433 238 F N -0.513 119.222 119.950 -0.358 0.000 2.219 238 F HA 0.084 4.611 4.527 0.000 0.000 0.294 238 F C 2.394 177.778 175.800 -0.693 0.000 1.086 238 F CA 0.780 58.408 58.000 -0.619 0.000 1.330 238 F CB -0.621 38.182 39.000 -0.329 0.000 1.047 238 F HN 0.268 nan 8.300 nan 0.000 0.495 239 H N 0.451 119.247 119.070 -0.456 0.000 2.541 239 H HA -0.105 4.451 4.556 0.000 0.000 0.289 239 H C 1.413 176.567 175.328 -0.291 0.000 1.054 239 H CA 0.907 56.673 56.048 -0.470 0.000 1.250 239 H CB -0.087 29.328 29.762 -0.579 0.000 1.369 239 H HN 0.215 nan 8.280 nan 0.000 0.578 240 N N 0.224 118.817 118.700 -0.178 0.000 2.331 240 N HA -0.131 4.609 4.740 0.000 0.000 0.180 240 N C 0.752 176.260 175.510 -0.003 0.000 1.019 240 N CA 1.213 54.236 53.050 -0.045 0.000 0.881 240 N CB 0.072 38.579 38.487 0.032 0.000 0.972 240 N HN 0.658 nan 8.380 nan 0.000 0.435 241 Y N -3.801 116.474 120.300 -0.043 0.000 2.666 241 Y HA 0.425 4.975 4.550 0.000 0.000 0.260 241 Y C -0.610 175.319 175.900 0.048 0.000 1.089 241 Y CA -1.037 57.042 58.100 -0.035 0.000 1.246 241 Y CB -0.240 38.180 38.460 -0.067 0.000 1.353 241 Y HN -0.204 nan 8.280 nan 0.000 0.558 242 F N 2.201 121.893 119.950 -0.429 0.000 2.771 242 F HA 0.685 5.212 4.527 0.000 0.000 0.365 242 F C -1.499 174.082 175.800 -0.365 0.000 1.169 242 F CA -1.992 55.814 58.000 -0.324 0.000 1.093 242 F CB 1.496 40.293 39.000 -0.339 0.000 1.363 242 F HN -0.168 nan 8.300 nan 0.000 0.496 243 V N 7.586 127.125 119.914 -0.625 0.000 2.260 243 V HA 0.295 4.415 4.120 0.000 0.000 0.263 243 V C -1.989 173.774 176.094 -0.552 0.000 1.036 243 V CA -1.248 60.679 62.300 -0.622 0.000 0.874 243 V CB 0.355 31.902 31.823 -0.460 0.000 1.116 243 V HN 0.544 nan 8.190 nan 0.000 0.454 244 P HA 0.067 nan 4.420 nan 0.000 0.269 244 P C -0.091 177.092 177.300 -0.195 0.000 1.209 244 P CA -0.089 62.713 63.100 -0.497 0.000 0.776 244 P CB 0.929 32.264 31.700 -0.609 0.000 0.876 245 N N 2.529 121.191 118.700 -0.063 0.000 3.303 245 N HA 0.043 4.783 4.740 0.000 0.000 0.304 245 N C 1.404 176.951 175.510 0.063 0.000 1.302 245 N CA -0.121 52.933 53.050 0.007 0.000 1.213 245 N CB -0.643 37.866 38.487 0.036 0.000 1.481 245 N HN 0.352 nan 8.380 nan 0.000 0.546 246 L N 0.532 121.785 121.223 0.051 0.000 2.151 246 L HA -0.352 3.988 4.340 0.000 0.000 0.219 246 L C 2.255 179.224 176.870 0.165 0.000 1.083 246 L CA 1.655 56.559 54.840 0.107 0.000 0.782 246 L CB -0.398 41.697 42.059 0.061 0.000 0.891 246 L HN 0.362 nan 8.230 nan 0.000 0.439 247 K N 0.047 120.522 120.400 0.125 0.000 1.969 247 K HA -0.209 4.111 4.320 0.000 0.000 0.223 247 K C 1.778 178.489 176.600 0.184 0.000 1.048 247 K CA 2.068 58.445 56.287 0.150 0.000 0.983 247 K CB -0.454 32.106 32.500 0.100 0.000 0.738 247 K HN 0.272 nan 8.250 nan 0.000 0.446 248 D N 0.624 121.102 120.400 0.129 0.000 2.117 248 D HA -0.177 4.463 4.640 0.000 0.000 0.197 248 D C 1.798 178.172 176.300 0.123 0.000 0.987 248 D CA 1.095 55.157 54.000 0.103 0.000 0.829 248 D CB -0.238 40.608 40.800 0.076 0.000 0.961 248 D HN 0.200 nan 8.370 nan 0.000 0.460 249 M N -0.693 119.012 119.600 0.174 0.000 2.202 249 M HA -0.190 4.290 4.480 0.000 0.000 0.262 249 M C 1.822 178.255 176.300 0.221 0.000 1.063 249 M CA 1.261 56.697 55.300 0.226 0.000 1.097 249 M CB -0.004 32.758 32.600 0.271 0.000 1.382 249 M HN 0.012 nan 8.290 nan 0.000 0.413 250 F N 0.120 120.119 119.950 0.082 0.000 2.118 250 F HA -0.046 4.481 4.527 0.000 0.000 0.293 250 F C 2.267 178.070 175.800 0.004 0.000 1.102 250 F CA 1.718 59.752 58.000 0.057 0.000 1.247 250 F CB -0.747 38.331 39.000 0.130 0.000 1.017 250 F HN 0.096 nan 8.300 nan 0.000 0.475 251 S N 0.783 116.482 115.700 -0.003 0.000 2.359 251 S HA -0.288 4.183 4.470 0.000 0.000 0.222 251 S C 2.142 176.620 174.600 -0.204 0.000 1.038 251 S CA 1.738 59.863 58.200 -0.125 0.000 1.051 251 S CB -0.614 62.596 63.200 0.017 0.000 0.944 251 S HN 0.350 nan 8.310 nan 0.000 0.433 252 R N 0.902 121.326 120.500 -0.126 0.000 2.139 252 R HA -0.082 4.258 4.340 0.000 0.000 0.243 252 R C 2.105 178.279 176.300 -0.211 0.000 1.145 252 R CA 1.221 57.244 56.100 -0.129 0.000 0.976 252 R CB -0.354 29.866 30.300 -0.134 0.000 0.866 252 R HN 0.423 nan 8.270 nan 0.000 0.449 253 A N -0.620 121.970 122.820 -0.382 0.000 2.206 253 A HA 0.045 4.365 4.320 0.000 0.000 0.211 253 A C 1.639 178.776 177.584 -0.744 0.000 1.158 253 A CA 0.598 52.126 52.037 -0.848 0.000 0.761 253 A CB 0.357 18.791 19.000 -0.943 0.000 0.801 253 A HN 0.180 nan 8.150 nan 0.000 0.473 254 V N -0.906 118.673 119.914 -0.559 0.000 2.840 254 V HA 0.007 4.127 4.120 0.000 0.000 0.234 254 V C 1.379 177.300 176.094 -0.288 0.000 1.159 254 V CA 1.430 63.435 62.300 -0.492 0.000 1.194 254 V CB -0.361 31.106 31.823 -0.593 0.000 0.971 254 V HN 0.562 nan 8.190 nan 0.000 0.494 255 T N 0.406 114.834 114.554 -0.211 0.000 3.414 255 T HA 0.647 4.997 4.350 0.000 0.000 0.304 255 T C -0.584 174.066 174.700 -0.084 0.000 1.241 255 T CA 0.122 62.159 62.100 -0.105 0.000 1.076 255 T CB -0.090 68.739 68.868 -0.065 0.000 1.134 255 T HN 0.290 nan 8.240 nan 0.000 0.759 256 M N 2.732 122.292 119.600 -0.067 0.000 2.394 256 M HA 0.196 4.676 4.480 0.000 0.000 0.246 256 M C -0.252 176.068 176.300 0.033 0.000 0.967 256 M CA -0.296 54.999 55.300 -0.008 0.000 0.835 256 M CB 1.779 34.385 32.600 0.011 0.000 2.169 256 M HN 0.578 nan 8.290 nan 0.000 0.479 257 T N 2.614 117.222 114.554 0.091 0.000 2.937 257 T HA 0.354 4.704 4.350 0.000 0.000 0.316 257 T C 1.220 176.022 174.700 0.170 0.000 1.079 257 T CA 0.941 63.143 62.100 0.170 0.000 1.131 257 T CB 0.958 69.957 68.868 0.219 0.000 1.000 257 T HN 0.837 nan 8.240 nan 0.000 0.549 258 A N 4.966 127.923 122.820 0.228 0.000 1.869 258 A HA -0.032 4.288 4.320 0.000 0.000 0.218 258 A C 2.782 180.388 177.584 0.036 0.000 1.203 258 A CA 2.757 54.877 52.037 0.139 0.000 0.638 258 A CB -1.692 17.438 19.000 0.215 0.000 0.831 258 A HN 1.444 nan 8.150 nan 0.000 0.450 259 A N -0.968 121.795 122.820 -0.095 0.000 1.892 259 A HA -0.154 4.166 4.320 0.000 0.000 0.218 259 A C 2.479 180.060 177.584 -0.006 0.000 1.188 259 A CA 2.482 54.438 52.037 -0.136 0.000 0.631 259 A CB -1.071 17.793 19.000 -0.228 0.000 0.822 259 A HN 0.519 nan 8.150 nan 0.000 0.447 260 S N -1.938 113.796 115.700 0.056 0.000 2.348 260 S HA -0.172 4.298 4.470 0.000 0.000 0.221 260 S C 1.863 176.548 174.600 0.141 0.000 1.033 260 S CA 1.503 59.759 58.200 0.093 0.000 1.010 260 S CB -0.594 62.665 63.200 0.099 0.000 0.891 260 S HN 0.660 nan 8.310 nan 0.000 0.442 261 Y N 2.400 122.722 120.300 0.037 0.000 2.207 261 Y HA -0.199 4.351 4.550 0.000 0.000 0.287 261 Y C 2.415 178.368 175.900 0.089 0.000 1.156 261 Y CA 0.870 59.019 58.100 0.081 0.000 1.182 261 Y CB -0.782 37.690 38.460 0.019 0.000 0.979 261 Y HN 0.227 nan 8.280 nan 0.000 0.521 262 A N 0.184 123.042 122.820 0.063 0.000 1.908 262 A HA -0.254 4.066 4.320 0.000 0.000 0.218 262 A C 2.338 179.863 177.584 -0.099 0.000 1.181 262 A CA 2.078 54.071 52.037 -0.074 0.000 0.627 262 A CB -0.753 18.164 19.000 -0.137 0.000 0.818 262 A HN 0.538 nan 8.150 nan 0.000 0.445 263 R N -2.078 118.401 120.500 -0.034 0.000 2.093 263 R HA -0.117 4.223 4.340 0.000 0.000 0.224 263 R C 2.070 178.346 176.300 -0.040 0.000 1.101 263 R CA 1.454 57.543 56.100 -0.019 0.000 0.979 263 R CB -0.568 29.757 30.300 0.041 0.000 0.877 263 R HN 0.583 nan 8.270 nan 0.000 0.441 264 Y N 0.470 120.694 120.300 -0.126 0.000 2.193 264 Y HA -0.220 4.330 4.550 0.000 0.000 0.285 264 Y C 1.613 177.401 175.900 -0.187 0.000 1.166 264 Y CA 1.762 59.773 58.100 -0.148 0.000 1.181 264 Y CB -0.339 38.007 38.460 -0.190 0.000 0.976 264 Y HN -0.090 nan 8.280 nan 0.000 0.520 265 V N 0.032 119.624 119.914 -0.537 0.000 2.346 265 V HA -0.221 3.899 4.120 0.000 0.000 0.244 265 V C 2.401 178.310 176.094 -0.307 0.000 1.037 265 V CA 1.497 63.471 62.300 -0.543 0.000 1.029 265 V CB -0.856 30.749 31.823 -0.363 0.000 0.663 265 V HN 0.482 nan 8.190 nan 0.000 0.454 266 L N 0.077 121.184 121.223 -0.193 0.000 2.043 266 L HA -0.278 4.062 4.340 0.000 0.000 0.212 266 L C 2.513 179.315 176.870 -0.113 0.000 1.075 266 L CA 2.092 56.865 54.840 -0.112 0.000 0.752 266 L CB -0.519 41.504 42.059 -0.060 0.000 0.891 266 L HN 0.372 nan 8.230 nan 0.000 0.432 267 Q N -0.918 118.799 119.800 -0.137 0.000 2.079 267 Q HA -0.236 4.104 4.340 0.000 0.000 0.200 267 Q C 2.328 178.245 176.000 -0.139 0.000 0.974 267 Q CA 1.604 57.342 55.803 -0.110 0.000 0.840 267 Q CB -0.206 28.485 28.738 -0.079 0.000 0.898 267 Q HN 0.473 nan 8.270 nan 0.000 0.430 268 K N 0.624 120.873 120.400 -0.250 0.000 2.113 268 K HA -0.154 4.166 4.320 0.000 0.000 0.208 268 K C 2.041 178.564 176.600 -0.128 0.000 1.047 268 K CA 1.020 57.168 56.287 -0.231 0.000 0.928 268 K CB -0.058 32.205 32.500 -0.395 0.000 0.716 268 K HN 0.186 nan 8.250 nan 0.000 0.446 269 L N 0.095 121.245 121.223 -0.122 0.000 2.027 269 L HA -0.171 4.169 4.340 0.000 0.000 0.206 269 L C 2.313 179.134 176.870 -0.081 0.000 1.074 269 L CA 0.789 55.580 54.840 -0.083 0.000 0.745 269 L CB -0.562 41.445 42.059 -0.086 0.000 0.898 269 L HN -0.010 nan 8.230 nan 0.000 0.433 270 V N 0.474 120.343 119.914 -0.075 0.000 2.317 270 V HA -0.333 3.787 4.120 0.000 0.000 0.251 270 V C 2.494 178.563 176.094 -0.041 0.000 1.065 270 V CA 2.049 64.314 62.300 -0.059 0.000 1.049 270 V CB -0.557 31.244 31.823 -0.037 0.000 0.651 270 V HN 0.361 nan 8.190 nan 0.000 0.450 271 L N -0.408 120.794 121.223 -0.035 0.000 1.970 271 L HA -0.176 4.164 4.340 0.000 0.000 0.212 271 L C 2.223 179.084 176.870 -0.015 0.000 1.071 271 L CA 2.012 56.842 54.840 -0.016 0.000 0.751 271 L CB -0.612 41.437 42.059 -0.017 0.000 0.889 271 L HN 0.171 nan 8.230 nan 0.000 0.432 272 L N -0.018 121.193 121.223 -0.020 0.000 2.127 272 L HA -0.228 4.112 4.340 0.000 0.000 0.211 272 L C 2.596 179.452 176.870 -0.024 0.000 1.089 272 L CA 1.845 56.681 54.840 -0.006 0.000 0.757 272 L CB -0.895 41.175 42.059 0.019 0.000 0.899 272 L HN 0.485 nan 8.230 nan 0.000 0.434 273 E N -0.700 119.467 120.200 -0.054 0.000 2.047 273 E HA -0.220 4.130 4.350 0.000 0.000 0.191 273 E C 2.221 178.792 176.600 -0.049 0.000 0.987 273 E CA 1.116 57.471 56.400 -0.075 0.000 0.799 273 E CB -0.072 29.564 29.700 -0.106 0.000 0.752 273 E HN 0.441 nan 8.360 nan 0.000 0.449 274 M N 0.088 119.670 119.600 -0.029 0.000 2.460 274 M HA -0.099 4.381 4.480 0.000 0.000 0.263 274 M C 1.549 177.850 176.300 0.002 0.000 1.071 274 M CA 1.028 56.324 55.300 -0.005 0.000 1.096 274 M CB 0.124 32.738 32.600 0.023 0.000 1.408 274 M HN -0.100 nan 8.290 nan 0.000 0.463 275 K N -0.127 120.271 120.400 -0.003 0.000 2.458 275 K HA 0.145 4.465 4.320 0.000 0.000 0.194 275 K C 1.090 177.689 176.600 -0.002 0.000 1.024 275 K CA 0.423 56.711 56.287 0.002 0.000 1.108 275 K CB 0.203 32.706 32.500 0.005 0.000 0.846 275 K HN 0.486 nan 8.250 nan 0.000 0.518 276 G N 0.915 109.709 108.800 -0.010 0.000 2.189 276 G HA2 -0.295 3.665 3.960 0.000 0.000 0.267 276 G HA3 -0.295 3.665 3.960 0.000 0.000 0.267 276 G C 0.791 175.689 174.900 -0.003 0.000 0.975 276 G CA 0.262 45.355 45.100 -0.011 0.000 0.644 276 G HN 0.476 nan 8.290 nan 0.000 0.537 277 G N -0.854 107.950 108.800 0.007 0.000 2.807 277 G HA2 0.096 4.056 3.960 0.000 0.000 0.207 277 G HA3 0.096 4.056 3.960 0.000 0.000 0.207 277 G C 1.233 176.176 174.900 0.071 0.000 1.151 277 G CA 1.463 46.588 45.100 0.042 0.000 0.800 277 G HN 0.737 nan 8.290 nan 0.000 0.523 278 c N -0.771 117.829 118.600 -0.000 0.000 2.974 278 c HA 0.416 4.986 4.570 0.000 0.000 0.282 278 c C 1.970 176.057 174.090 -0.006 0.000 1.292 278 c CA -0.368 55.936 56.329 -0.042 0.000 1.710 278 c CB -0.571 41.857 42.510 -0.137 0.000 2.036 278 c HN 0.536 nan 8.230 nan 0.000 0.629 279 R N -0.372 120.135 120.500 0.011 0.000 2.637 279 R HA 0.109 4.449 4.340 0.000 0.000 0.262 279 R C -0.038 176.270 176.300 0.012 0.000 0.959 279 R CA 0.111 56.215 56.100 0.007 0.000 1.061 279 R CB 0.412 30.706 30.300 -0.009 0.000 1.610 279 R HN 0.194 nan 8.270 nan 0.000 0.548 280 E N 1.360 121.569 120.200 0.015 0.000 4.044 280 E HA 0.216 4.566 4.350 0.000 0.000 0.216 280 E C -2.613 173.990 176.600 0.006 0.000 1.104 280 E CA -1.741 54.659 56.400 0.001 0.000 1.383 280 E CB 1.380 31.075 29.700 -0.009 0.000 1.195 280 E HN -0.023 nan 8.360 nan 0.000 0.442 281 P HA -0.112 nan 4.420 nan 0.000 0.242 281 P C -0.092 177.166 177.300 -0.070 0.000 1.116 281 P CA 0.552 63.675 63.100 0.038 0.000 0.954 281 P CB 0.014 31.738 31.700 0.041 0.000 0.908 282 E N 2.784 122.948 120.200 -0.060 0.000 2.324 282 E HA 0.106 4.456 4.350 0.000 0.000 0.271 282 E C -0.133 176.352 176.600 -0.191 0.000 1.028 282 E CA -0.026 56.309 56.400 -0.109 0.000 0.890 282 E CB 0.177 29.840 29.700 -0.062 0.000 1.004 282 E HN 0.349 nan 8.360 nan 0.000 0.431 283 L N 5.549 126.600 121.223 -0.286 0.000 2.423 283 L HA 0.216 4.556 4.340 0.000 0.000 0.249 283 L C -0.498 176.224 176.870 -0.247 0.000 1.276 283 L CA -0.312 54.265 54.840 -0.438 0.000 1.199 283 L CB -0.669 40.970 42.059 -0.700 0.000 1.407 283 L HN 0.551 nan 8.230 nan 0.000 0.410 284 D N -2.743 117.589 120.400 -0.114 0.000 2.497 284 D HA 0.297 4.937 4.640 0.000 0.000 0.243 284 D C 1.278 177.634 176.300 0.094 0.000 1.039 284 D CA -0.270 53.739 54.000 0.015 0.000 1.052 284 D CB 0.704 41.503 40.800 -0.002 0.000 1.344 284 D HN 0.101 nan 8.370 nan 0.000 0.553 285 T N -2.568 112.067 114.554 0.135 0.000 2.665 285 T HA -0.301 4.049 4.350 0.000 0.000 0.268 285 T C 1.509 176.305 174.700 0.161 0.000 1.035 285 T CA 1.771 63.982 62.100 0.185 0.000 1.151 285 T CB -0.664 68.212 68.868 0.014 0.000 0.862 285 T HN 0.617 nan 8.240 nan 0.000 0.438 286 E N 0.919 121.170 120.200 0.084 0.000 2.023 286 E HA -0.194 4.156 4.350 0.000 0.000 0.196 286 E C 2.352 178.999 176.600 0.078 0.000 1.003 286 E CA 1.910 58.355 56.400 0.075 0.000 0.809 286 E CB -0.507 29.219 29.700 0.045 0.000 0.755 286 E HN 0.582 nan 8.360 nan 0.000 0.449 287 T N 1.230 115.811 114.554 0.046 0.000 2.684 287 T HA -0.177 4.173 4.350 0.000 0.000 0.267 287 T C 1.828 176.530 174.700 0.003 0.000 1.036 287 T CA 1.251 63.367 62.100 0.027 0.000 1.148 287 T CB -0.238 68.609 68.868 -0.034 0.000 0.863 287 T HN 0.068 nan 8.240 nan 0.000 0.436 288 L N 0.695 121.900 121.223 -0.031 0.000 2.093 288 L HA -0.045 4.295 4.340 0.000 0.000 0.208 288 L C 2.798 179.715 176.870 0.080 0.000 1.085 288 L CA 1.594 56.344 54.840 -0.149 0.000 0.755 288 L CB -1.068 40.692 42.059 -0.498 0.000 0.904 288 L HN 0.240 nan 8.230 nan 0.000 0.435 289 T N -1.306 113.414 114.554 0.276 0.000 2.652 289 T HA -0.232 4.118 4.350 0.000 0.000 0.267 289 T C 1.881 176.736 174.700 0.259 0.000 1.039 289 T CA 2.194 64.503 62.100 0.348 0.000 1.153 289 T CB -0.584 68.442 68.868 0.264 0.000 0.863 289 T HN 0.624 nan 8.240 nan 0.000 0.428 290 T N 1.396 116.043 114.554 0.155 0.000 2.685 290 T HA -0.224 4.126 4.350 0.000 0.000 0.268 290 T C 2.006 176.784 174.700 0.129 0.000 1.034 290 T CA 1.583 63.741 62.100 0.096 0.000 1.149 290 T CB -0.743 68.161 68.868 0.060 0.000 0.860 290 T HN 0.290 nan 8.240 nan 0.000 0.449 291 M N 0.177 119.851 119.600 0.123 0.000 2.163 291 M HA 0.000 4.480 4.480 0.000 0.000 0.258 291 M C 2.166 178.560 176.300 0.157 0.000 1.071 291 M CA 2.325 57.682 55.300 0.095 0.000 1.093 291 M CB -0.729 31.788 32.600 -0.138 0.000 1.285 291 M HN 0.296 nan 8.290 nan 0.000 0.420 292 F N 1.458 121.367 119.950 -0.069 0.000 2.120 292 F HA -0.224 4.303 4.527 0.000 0.000 0.300 292 F C 2.167 178.109 175.800 0.238 0.000 1.095 292 F CA 1.859 59.924 58.000 0.108 0.000 1.249 292 F CB -0.444 38.633 39.000 0.127 0.000 0.995 292 F HN 0.208 nan 8.300 nan 0.000 0.480 293 E N -0.428 119.832 120.200 0.101 0.000 2.150 293 E HA -0.152 4.198 4.350 0.000 0.000 0.193 293 E C 2.383 179.043 176.600 0.099 0.000 0.985 293 E CA 1.301 57.741 56.400 0.067 0.000 0.814 293 E CB -0.403 29.365 29.700 0.113 0.000 0.752 293 E HN 0.333 nan 8.360 nan 0.000 0.466 294 V N 1.783 121.775 119.914 0.129 0.000 2.407 294 V HA -0.255 3.865 4.120 0.000 0.000 0.248 294 V C 2.545 178.823 176.094 0.306 0.000 1.055 294 V CA 2.153 64.569 62.300 0.194 0.000 1.049 294 V CB -0.462 31.492 31.823 0.220 0.000 0.662 294 V HN 0.360 nan 8.190 nan 0.000 0.455 295 S N -0.722 115.131 115.700 0.254 0.000 2.414 295 S HA -0.082 4.388 4.470 0.000 0.000 0.227 295 S C 1.892 176.635 174.600 0.239 0.000 1.022 295 S CA 1.158 59.499 58.200 0.235 0.000 0.958 295 S CB -0.190 63.134 63.200 0.207 0.000 0.797 295 S HN 0.319 nan 8.310 nan 0.000 0.493 296 V N 2.544 122.511 119.914 0.088 0.000 2.427 296 V HA -0.080 4.040 4.120 0.000 0.000 0.248 296 V C 3.094 179.367 176.094 0.299 0.000 1.051 296 V CA 1.503 63.865 62.300 0.103 0.000 1.048 296 V CB -1.476 30.219 31.823 -0.212 0.000 0.666 296 V HN 0.642 nan 8.190 nan 0.000 0.456 297 A N -0.377 122.698 122.820 0.425 0.000 1.902 297 A HA -0.194 4.126 4.320 0.000 0.000 0.217 297 A C 2.039 179.706 177.584 0.138 0.000 1.181 297 A CA 1.849 54.106 52.037 0.366 0.000 0.623 297 A CB -0.682 18.427 19.000 0.182 0.000 0.818 297 A HN 0.467 nan 8.150 nan 0.000 0.443 298 F N -1.663 118.350 119.950 0.105 0.000 2.206 298 F HA -0.031 4.496 4.527 0.000 0.000 0.298 298 F C 1.980 177.855 175.800 0.125 0.000 1.090 298 F CA 1.375 59.403 58.000 0.046 0.000 1.323 298 F CB -0.500 38.519 39.000 0.030 0.000 1.028 298 F HN 0.365 nan 8.300 nan 0.000 0.492 299 F N 1.222 121.316 119.950 0.240 0.000 2.102 299 F HA -0.178 4.349 4.527 0.000 0.000 0.298 299 F C 2.303 178.236 175.800 0.221 0.000 1.105 299 F CA 1.534 59.668 58.000 0.223 0.000 1.239 299 F CB -0.583 38.531 39.000 0.191 0.000 0.991 299 F HN -0.282 nan 8.300 nan 0.000 0.474 300 K N 0.562 120.914 120.400 -0.081 0.000 2.034 300 K HA -0.174 4.146 4.320 0.000 0.000 0.214 300 K C 2.225 178.788 176.600 -0.062 0.000 1.051 300 K CA 1.824 58.006 56.287 -0.176 0.000 0.931 300 K CB -1.074 31.383 32.500 -0.072 0.000 0.715 300 K HN 0.288 nan 8.250 nan 0.000 0.446 301 V N 0.359 120.263 119.914 -0.017 0.000 2.332 301 V HA -0.211 3.909 4.120 0.000 0.000 0.248 301 V C 2.472 178.625 176.094 0.100 0.000 1.055 301 V CA 2.223 64.530 62.300 0.013 0.000 1.038 301 V CB -0.997 30.695 31.823 -0.219 0.000 0.651 301 V HN 0.468 nan 8.190 nan 0.000 0.450 302 G N -1.596 107.291 108.800 0.145 0.000 2.408 302 G HA2 -0.274 3.686 3.960 0.000 0.000 0.217 302 G HA3 -0.274 3.686 3.960 0.000 0.000 0.217 302 G C 1.553 176.577 174.900 0.207 0.000 1.150 302 G CA 0.821 46.127 45.100 0.344 0.000 0.776 302 G HN 0.610 nan 8.290 nan 0.000 0.542 303 H N 0.708 119.701 119.070 -0.129 0.000 2.524 303 H HA 0.174 4.730 4.556 0.000 0.000 0.282 303 H C 2.580 177.851 175.328 -0.094 0.000 1.016 303 H CA 0.861 56.777 56.048 -0.221 0.000 1.270 303 H CB 0.240 29.608 29.762 -0.656 0.000 1.394 303 H HN 0.346 nan 8.280 nan 0.000 0.568 304 A N 0.294 123.098 122.820 -0.027 0.000 1.840 304 A HA -0.070 4.250 4.320 0.000 0.000 0.214 304 A C 2.608 180.162 177.584 -0.049 0.000 1.198 304 A CA 1.175 53.195 52.037 -0.029 0.000 0.608 304 A CB -0.815 18.260 19.000 0.124 0.000 0.839 304 A HN 0.246 nan 8.150 nan 0.000 0.443 305 V N 0.356 120.304 119.914 0.055 0.000 2.720 305 V HA -0.153 3.967 4.120 0.000 0.000 0.256 305 V C 2.587 178.668 176.094 -0.022 0.000 1.082 305 V CA 1.658 63.992 62.300 0.058 0.000 1.101 305 V CB -1.400 30.526 31.823 0.172 0.000 0.693 305 V HN 0.620 nan 8.190 nan 0.000 0.479 306 G N -0.393 108.360 108.800 -0.079 0.000 2.404 306 G HA2 -0.144 3.816 3.960 0.000 0.000 0.214 306 G HA3 -0.144 3.816 3.960 0.000 0.000 0.214 306 G C 1.416 176.210 174.900 -0.176 0.000 1.189 306 G CA 0.372 45.386 45.100 -0.142 0.000 0.789 306 G HN 0.447 nan 8.290 nan 0.000 0.533 307 E N 0.844 120.887 120.200 -0.262 0.000 2.114 307 E HA -0.142 4.208 4.350 0.000 0.000 0.199 307 E C 1.968 178.483 176.600 -0.142 0.000 1.008 307 E CA 1.579 57.844 56.400 -0.225 0.000 0.810 307 E CB -0.790 28.762 29.700 -0.246 0.000 0.739 307 E HN 0.529 nan 8.360 nan 0.000 0.456 308 T N -0.559 113.919 114.554 -0.127 0.000 3.783 308 T HA 0.439 4.789 4.350 0.000 0.000 0.262 308 T C 0.545 175.200 174.700 -0.075 0.000 1.381 308 T CA -0.161 61.880 62.100 -0.098 0.000 1.155 308 T CB 0.066 68.870 68.868 -0.106 0.000 1.256 308 T HN 0.055 nan 8.240 nan 0.000 0.807 309 G N 1.540 110.297 108.800 -0.072 0.000 2.441 309 G HA2 0.275 4.235 3.960 0.000 0.000 0.243 309 G HA3 0.275 4.235 3.960 0.000 0.000 0.243 309 G C 0.617 175.489 174.900 -0.046 0.000 1.281 309 G CA -0.697 44.369 45.100 -0.057 0.000 0.854 309 G HN 0.592 nan 8.290 nan 0.000 0.560 310 N N -0.090 118.587 118.700 -0.038 0.000 2.714 310 N HA -0.171 4.569 4.740 0.000 0.000 0.250 310 N C 0.910 176.400 175.510 -0.033 0.000 1.117 310 N CA 1.305 54.335 53.050 -0.032 0.000 0.719 310 N CB -1.110 37.359 38.487 -0.029 0.000 1.081 310 N HN 0.888 nan 8.380 nan 0.000 0.557 311 G N -0.996 107.781 108.800 -0.038 0.000 2.890 311 G HA2 0.614 4.574 3.960 0.000 0.000 0.189 311 G HA3 0.614 4.574 3.960 0.000 0.000 0.189 311 G C -0.741 174.138 174.900 -0.034 0.000 1.342 311 G CA 0.115 45.191 45.100 -0.041 0.000 1.026 311 G HN 0.387 nan 8.290 nan 0.000 0.579 312 c N 0.340 118.918 118.600 -0.037 0.000 2.716 312 c HA 0.559 5.129 4.570 0.000 0.000 0.366 312 c C -0.366 173.708 174.090 -0.027 0.000 1.073 312 c CA -0.753 55.562 56.329 -0.024 0.000 1.260 312 c CB 0.296 42.795 42.510 -0.017 0.000 1.755 312 c HN 0.787 nan 8.230 nan 0.000 0.475 313 V N 2.794 122.708 119.914 -0.000 0.000 2.432 313 V HA 0.457 4.577 4.120 0.000 0.000 0.275 313 V C 0.167 176.310 176.094 0.080 0.000 1.043 313 V CA -0.173 62.139 62.300 0.020 0.000 0.925 313 V CB 1.289 33.172 31.823 0.100 0.000 0.985 313 V HN 0.870 nan 8.190 nan 0.000 0.466 314 D N 3.047 123.500 120.400 0.088 0.000 2.488 314 D HA 0.015 4.655 4.640 0.000 0.000 0.238 314 D C 0.767 177.193 176.300 0.209 0.000 1.138 314 D CA -0.112 53.963 54.000 0.125 0.000 0.873 314 D CB 1.264 42.132 40.800 0.115 0.000 1.183 314 D HN 0.600 nan 8.370 nan 0.000 0.458 315 L N 4.458 125.783 121.223 0.170 0.000 2.191 315 L HA -0.096 4.244 4.340 0.000 0.000 0.212 315 L C 2.052 179.120 176.870 0.329 0.000 1.103 315 L CA 1.627 56.593 54.840 0.210 0.000 0.769 315 L CB -0.288 41.891 42.059 0.200 0.000 0.908 315 L HN 0.477 nan 8.230 nan 0.000 0.438 316 R N -1.501 119.194 120.500 0.324 0.000 2.092 316 R HA -0.222 4.118 4.340 0.000 0.000 0.231 316 R C 2.169 178.653 176.300 0.306 0.000 1.119 316 R CA 1.705 58.026 56.100 0.368 0.000 0.970 316 R CB -0.805 29.538 30.300 0.071 0.000 0.864 316 R HN 0.604 nan 8.270 nan 0.000 0.440 317 W N 2.221 123.599 121.300 0.130 0.000 2.355 317 W HA -0.181 4.479 4.660 0.000 0.000 0.309 317 W C 1.476 178.090 176.519 0.159 0.000 1.206 317 W CA 1.411 58.828 57.345 0.119 0.000 1.284 317 W CB -0.242 29.270 29.460 0.087 0.000 1.145 317 W HN 0.047 nan 8.180 nan 0.000 0.502 318 L N 1.237 122.589 121.223 0.214 0.000 1.994 318 L HA -0.178 4.162 4.340 0.000 0.000 0.208 318 L C 2.926 179.855 176.870 0.099 0.000 1.071 318 L CA 1.580 56.525 54.840 0.175 0.000 0.745 318 L CB -1.763 40.377 42.059 0.135 0.000 0.892 318 L HN -0.072 nan 8.230 nan 0.000 0.431 319 A N -0.063 122.800 122.820 0.072 0.000 2.042 319 A HA -0.274 4.046 4.320 0.000 0.000 0.222 319 A C 2.443 180.038 177.584 0.018 0.000 1.167 319 A CA 2.259 54.297 52.037 0.002 0.000 0.649 319 A CB -0.459 18.476 19.000 -0.108 0.000 0.809 319 A HN 0.423 nan 8.150 nan 0.000 0.457 320 K N -1.204 119.191 120.400 -0.010 0.000 2.121 320 K HA 0.026 4.346 4.320 0.000 0.000 0.203 320 K C 2.255 178.802 176.600 -0.089 0.000 1.041 320 K CA 1.025 57.288 56.287 -0.040 0.000 0.969 320 K CB -0.056 32.385 32.500 -0.098 0.000 0.799 320 K HN 0.394 nan 8.250 nan 0.000 0.456 321 S N 0.757 116.255 115.700 -0.338 0.000 2.348 321 S HA -0.082 4.388 4.470 0.000 0.000 0.221 321 S C 1.628 176.093 174.600 -0.225 0.000 1.033 321 S CA 1.305 59.255 58.200 -0.417 0.000 1.010 321 S CB -0.376 62.389 63.200 -0.726 0.000 0.891 321 S HN 0.264 nan 8.310 nan 0.000 0.442 322 F N 0.694 120.538 119.950 -0.177 0.000 2.408 322 F HA -0.017 4.510 4.527 0.000 0.000 0.300 322 F C 1.793 177.536 175.800 -0.097 0.000 1.090 322 F CA 0.610 58.538 58.000 -0.119 0.000 1.427 322 F CB -0.271 38.695 39.000 -0.057 0.000 1.070 322 F HN 0.215 nan 8.300 nan 0.000 0.549 323 F N 1.238 121.158 119.950 -0.051 0.000 2.098 323 F HA -0.124 4.403 4.527 0.000 0.000 0.294 323 F C 2.302 178.001 175.800 -0.169 0.000 1.107 323 F CA 1.451 59.385 58.000 -0.110 0.000 1.234 323 F CB -0.558 38.374 39.000 -0.114 0.000 1.002 323 F HN -0.198 nan 8.300 nan 0.000 0.472 324 E N 0.878 120.862 120.200 -0.359 0.000 2.219 324 E HA -0.205 4.145 4.350 0.000 0.000 0.198 324 E C 2.404 178.724 176.600 -0.466 0.000 0.998 324 E CA 1.264 57.401 56.400 -0.437 0.000 0.818 324 E CB -0.559 29.019 29.700 -0.203 0.000 0.741 324 E HN 0.503 nan 8.360 nan 0.000 0.477 325 L N 0.276 121.212 121.223 -0.477 0.000 2.095 325 L HA -0.098 4.242 4.340 0.000 0.000 0.204 325 L C 2.470 179.146 176.870 -0.323 0.000 1.080 325 L CA 1.182 55.671 54.840 -0.584 0.000 0.759 325 L CB -0.502 41.092 42.059 -0.776 0.000 0.914 325 L HN 0.079 nan 8.230 nan 0.000 0.439 326 T N -0.594 113.788 114.554 -0.286 0.000 2.708 326 T HA -0.217 4.133 4.350 0.000 0.000 0.266 326 T C 1.881 176.389 174.700 -0.319 0.000 1.037 326 T CA 1.595 63.570 62.100 -0.209 0.000 1.146 326 T CB -0.354 68.405 68.868 -0.183 0.000 0.865 326 T HN 0.172 nan 8.240 nan 0.000 0.435 327 V N 1.214 120.773 119.914 -0.593 0.000 2.407 327 V HA -0.077 4.043 4.120 0.000 0.000 0.248 327 V C 2.231 178.161 176.094 -0.274 0.000 1.055 327 V CA 1.431 63.360 62.300 -0.618 0.000 1.049 327 V CB -0.486 30.794 31.823 -0.905 0.000 0.662 327 V HN 0.375 nan 8.190 nan 0.000 0.455 328 L N 0.808 121.895 121.223 -0.226 0.000 2.027 328 L HA -0.126 4.214 4.340 0.000 0.000 0.206 328 L C 2.537 179.429 176.870 0.037 0.000 1.074 328 L CA 2.676 57.471 54.840 -0.075 0.000 0.745 328 L CB -0.981 41.028 42.059 -0.083 0.000 0.898 328 L HN 0.402 nan 8.230 nan 0.000 0.433 329 K N -0.734 119.727 120.400 0.102 0.000 2.113 329 K HA -0.226 4.094 4.320 0.000 0.000 0.208 329 K C 1.650 178.265 176.600 0.025 0.000 1.047 329 K CA 1.908 58.272 56.287 0.130 0.000 0.928 329 K CB -0.233 32.364 32.500 0.162 0.000 0.716 329 K HN 0.455 nan 8.250 nan 0.000 0.446 330 D N 0.939 121.323 120.400 -0.026 0.000 2.084 330 D HA -0.180 4.460 4.640 0.000 0.000 0.196 330 D C 1.967 178.241 176.300 -0.043 0.000 0.985 330 D CA 1.203 55.179 54.000 -0.041 0.000 0.826 330 D CB -0.209 40.553 40.800 -0.063 0.000 0.978 330 D HN 0.330 nan 8.370 nan 0.000 0.456 331 I N 0.917 121.459 120.570 -0.046 0.000 2.286 331 I HA -0.227 3.943 4.170 0.000 0.000 0.248 331 I C 2.153 178.207 176.117 -0.106 0.000 1.115 331 I CA 0.884 62.140 61.300 -0.074 0.000 1.392 331 I CB 0.043 38.005 38.000 -0.064 0.000 1.065 331 I HN -0.097 nan 8.210 nan 0.000 0.418 332 I N 0.676 121.218 120.570 -0.046 0.000 2.361 332 I HA -0.196 3.974 4.170 0.000 0.000 0.251 332 I C 2.422 178.533 176.117 -0.009 0.000 1.133 332 I CA 1.440 62.734 61.300 -0.010 0.000 1.413 332 I CB -0.686 37.360 38.000 0.077 0.000 1.073 332 I HN 0.335 nan 8.210 nan 0.000 0.424 333 G N 0.640 109.429 108.800 -0.018 0.000 2.441 333 G HA2 -0.024 3.936 3.960 0.000 0.000 0.212 333 G HA3 -0.024 3.936 3.960 0.000 0.000 0.212 333 G C 1.657 176.535 174.900 -0.038 0.000 1.164 333 G CA 0.100 45.196 45.100 -0.008 0.000 0.811 333 G HN 0.259 nan 8.290 nan 0.000 0.535 334 I N 0.241 120.769 120.570 -0.071 0.000 2.286 334 I HA -0.176 3.994 4.170 0.000 0.000 0.248 334 I C 2.830 178.875 176.117 -0.120 0.000 1.115 334 I CA 0.579 61.827 61.300 -0.086 0.000 1.392 334 I CB -0.287 37.657 38.000 -0.094 0.000 1.065 334 I HN 0.320 nan 8.210 nan 0.000 0.418 335 c N 0.117 118.590 118.600 -0.212 0.000 2.675 335 c HA -0.068 4.503 4.570 0.000 0.000 0.285 335 c C 1.073 175.021 174.090 -0.237 0.000 1.282 335 c CA 0.176 56.289 56.329 -0.360 0.000 1.708 335 c CB -0.545 41.523 42.510 -0.736 0.000 2.134 335 c HN 0.268 nan 8.230 nan 0.000 0.494 336 Y N -0.038 120.267 120.300 0.007 0.000 2.419 336 Y HA 0.470 5.020 4.550 0.000 0.000 0.328 336 Y C 1.122 177.030 175.900 0.013 0.000 1.162 336 Y CA -0.696 57.416 58.100 0.019 0.000 1.174 336 Y CB 0.244 38.731 38.460 0.046 0.000 1.228 336 Y HN 0.295 nan 8.280 nan 0.000 0.473 337 G N 0.848 109.756 108.800 0.181 0.000 3.356 337 G HA2 0.352 4.312 3.960 0.000 0.000 0.239 337 G HA3 0.352 4.312 3.960 0.000 0.000 0.239 337 G C 0.186 175.139 174.900 0.087 0.000 1.252 337 G CA 0.069 45.224 45.100 0.092 0.000 1.611 337 G HN 0.751 nan 8.290 nan 0.000 0.580 338 A N 0.395 123.290 122.820 0.125 0.000 2.340 338 A HA 0.772 5.092 4.320 0.000 0.000 0.268 338 A C 0.472 178.081 177.584 0.043 0.000 1.100 338 A CA -0.125 51.970 52.037 0.097 0.000 0.803 338 A CB 0.848 19.947 19.000 0.166 0.000 1.043 338 A HN 0.285 nan 8.150 nan 0.000 0.488 339 T N 0.234 114.797 114.554 0.015 0.000 2.916 339 T HA 0.639 4.989 4.350 0.000 0.000 0.292 339 T C -0.791 173.888 174.700 -0.034 0.000 1.055 339 T CA -0.504 61.596 62.100 -0.001 0.000 1.009 339 T CB 1.640 70.516 68.868 0.014 0.000 1.118 339 T HN 0.598 nan 8.240 nan 0.000 0.497 340 V N 2.164 122.034 119.914 -0.074 0.000 2.686 340 V HA 0.738 4.858 4.120 0.000 0.000 0.306 340 V C -0.810 175.198 176.094 -0.144 0.000 1.065 340 V CA -1.013 61.179 62.300 -0.180 0.000 0.894 340 V CB 1.852 33.471 31.823 -0.339 0.000 1.004 340 V HN 1.006 nan 8.190 nan 0.000 0.424 341 K N 2.371 122.635 120.400 -0.227 0.000 2.543 341 K HA 0.729 5.049 4.320 0.000 0.000 0.255 341 K C 0.095 176.578 176.600 -0.194 0.000 0.934 341 K CA -0.149 56.022 56.287 -0.193 0.000 0.810 341 K CB 2.061 34.345 32.500 -0.360 0.000 1.315 341 K HN 1.345 nan 8.250 nan 0.000 0.433 342 G N 2.032 110.896 108.800 0.107 0.000 2.154 342 G HA2 -0.123 3.837 3.960 0.000 0.000 0.186 342 G HA3 -0.123 3.837 3.960 0.000 0.000 0.186 342 G C 0.060 174.884 174.900 -0.126 0.000 1.000 342 G CA 0.126 45.280 45.100 0.090 0.000 0.664 342 G HN 0.457 nan 8.290 nan 0.000 0.513 343 M N 0.118 119.721 119.600 0.004 0.000 2.268 343 M HA 0.313 4.793 4.480 0.000 0.000 0.355 343 M C 0.892 177.342 176.300 0.250 0.000 0.938 343 M CA 0.114 55.456 55.300 0.069 0.000 1.025 343 M CB 0.265 32.984 32.600 0.199 0.000 1.773 343 M HN 0.327 nan 8.290 nan 0.000 0.613 344 Q N 0.264 120.198 119.800 0.223 0.000 2.185 344 Q HA 0.532 4.872 4.340 0.000 0.000 0.225 344 Q C -0.067 176.033 176.000 0.167 0.000 0.983 344 Q CA -0.226 55.732 55.803 0.258 0.000 0.950 344 Q CB 2.056 30.901 28.738 0.178 0.000 1.176 344 Q HN 0.152 nan 8.270 nan 0.000 0.510 345 S N -0.319 115.422 115.700 0.068 0.000 2.614 345 S HA 0.144 4.614 4.470 0.000 0.000 0.259 345 S C 0.071 174.597 174.600 -0.123 0.000 1.118 345 S CA -0.676 57.482 58.200 -0.070 0.000 1.065 345 S CB -0.028 63.078 63.200 -0.157 0.000 1.121 345 S HN 0.706 nan 8.310 nan 0.000 0.458 346 Y N 3.346 123.599 120.300 -0.078 0.000 2.365 346 Y HA 0.123 4.673 4.550 0.000 0.000 0.287 346 Y C 1.707 177.557 175.900 -0.084 0.000 1.162 346 Y CA 1.455 59.508 58.100 -0.078 0.000 1.260 346 Y CB -0.871 37.535 38.460 -0.091 0.000 0.976 346 Y HN 0.619 nan 8.280 nan 0.000 0.548 347 G N 1.573 109.966 108.800 -0.679 0.000 2.464 347 G HA2 -0.272 3.688 3.960 0.000 0.000 0.214 347 G HA3 -0.272 3.688 3.960 0.000 0.000 0.214 347 G C 1.467 176.217 174.900 -0.251 0.000 1.218 347 G CA 1.037 45.847 45.100 -0.483 0.000 0.794 347 G HN 0.464 nan 8.290 nan 0.000 0.542 348 L N 0.923 121.981 121.223 -0.275 0.000 2.129 348 L HA -0.085 4.256 4.340 0.000 0.000 0.212 348 L C 2.568 179.335 176.870 -0.173 0.000 1.087 348 L CA 2.162 56.850 54.840 -0.252 0.000 0.757 348 L CB -0.484 41.320 42.059 -0.426 0.000 0.896 348 L HN 0.415 nan 8.230 nan 0.000 0.434 349 E N -0.839 119.284 120.200 -0.128 0.000 2.072 349 E HA -0.199 4.151 4.350 0.000 0.000 0.190 349 E C 2.335 178.915 176.600 -0.033 0.000 0.982 349 E CA 0.965 57.332 56.400 -0.055 0.000 0.803 349 E CB -0.161 29.538 29.700 -0.002 0.000 0.755 349 E HN 0.483 nan 8.360 nan 0.000 0.453 350 R N 0.511 120.998 120.500 -0.021 0.000 2.096 350 R HA -0.131 4.209 4.340 0.000 0.000 0.235 350 R C 2.464 178.751 176.300 -0.021 0.000 1.127 350 R CA 0.740 56.838 56.100 -0.003 0.000 0.968 350 R CB -0.237 30.080 30.300 0.028 0.000 0.861 350 R HN 0.098 nan 8.270 nan 0.000 0.440 351 L N 0.382 121.577 121.223 -0.046 0.000 1.994 351 L HA -0.125 4.215 4.340 0.000 0.000 0.208 351 L C 2.238 179.087 176.870 -0.035 0.000 1.071 351 L CA 2.152 56.969 54.840 -0.039 0.000 0.745 351 L CB -0.623 41.401 42.059 -0.059 0.000 0.892 351 L HN 0.137 nan 8.230 nan 0.000 0.431 352 A N -0.417 122.369 122.820 -0.056 0.000 1.908 352 A HA -0.183 4.137 4.320 0.000 0.000 0.218 352 A C 2.451 180.008 177.584 -0.045 0.000 1.181 352 A CA 2.136 54.135 52.037 -0.064 0.000 0.627 352 A CB -1.330 17.622 19.000 -0.079 0.000 0.818 352 A HN 0.627 nan 8.150 nan 0.000 0.445 353 A N -0.482 122.319 122.820 -0.033 0.000 1.865 353 A HA -0.187 4.133 4.320 0.000 0.000 0.217 353 A C 2.310 179.883 177.584 -0.019 0.000 1.191 353 A CA 2.026 54.047 52.037 -0.026 0.000 0.623 353 A CB -0.616 18.369 19.000 -0.025 0.000 0.826 353 A HN 0.540 nan 8.150 nan 0.000 0.444 354 M N -1.072 118.521 119.600 -0.011 0.000 2.080 354 M HA -0.136 4.344 4.480 0.000 0.000 0.260 354 M C 2.363 178.664 176.300 0.002 0.000 1.068 354 M CA 1.782 57.081 55.300 -0.000 0.000 1.109 354 M CB -0.557 32.049 32.600 0.009 0.000 1.342 354 M HN 0.543 nan 8.290 nan 0.000 0.405 355 L N 0.270 121.493 121.223 -0.000 0.000 1.990 355 L HA -0.289 4.051 4.340 0.000 0.000 0.213 355 L C 2.589 179.461 176.870 0.003 0.000 1.072 355 L CA 1.425 56.270 54.840 0.008 0.000 0.755 355 L CB -0.189 41.874 42.059 0.008 0.000 0.889 355 L HN 0.309 nan 8.230 nan 0.000 0.432 356 M N -0.415 119.176 119.600 -0.015 0.000 2.108 356 M HA -0.172 4.308 4.480 0.000 0.000 0.261 356 M C 2.453 178.754 176.300 0.001 0.000 1.066 356 M CA 1.842 57.133 55.300 -0.014 0.000 1.107 356 M CB -1.643 30.942 32.600 -0.025 0.000 1.356 356 M HN 0.446 nan 8.290 nan 0.000 0.406 357 A N -0.134 122.686 122.820 0.001 0.000 2.186 357 A HA -0.088 4.232 4.320 0.000 0.000 0.219 357 A C 1.518 179.109 177.584 0.012 0.000 1.159 357 A CA 1.800 53.841 52.037 0.007 0.000 0.680 357 A CB -1.100 17.903 19.000 0.005 0.000 0.787 357 A HN 0.598 nan 8.150 nan 0.000 0.467 358 T N -2.666 111.896 114.554 0.014 0.000 3.255 358 T HA 0.537 4.887 4.350 0.000 0.000 0.243 358 T C -0.524 174.190 174.700 0.023 0.000 1.057 358 T CA -0.213 61.898 62.100 0.018 0.000 1.121 358 T CB -0.142 68.737 68.868 0.018 0.000 1.104 358 T HN 0.507 nan 8.240 nan 0.000 0.571 359 V N 0.390 120.319 119.914 0.024 0.000 2.969 359 V HA 0.567 4.687 4.120 0.000 0.000 0.304 359 V C -1.237 174.875 176.094 0.031 0.000 1.192 359 V CA -1.094 61.224 62.300 0.029 0.000 0.962 359 V CB 2.360 34.203 31.823 0.032 0.000 1.045 359 V HN 0.382 nan 8.190 nan 0.000 0.428 360 K N 5.629 126.050 120.400 0.035 0.000 2.021 360 K HA 0.198 4.519 4.320 0.000 0.000 0.238 360 K C 1.172 177.797 176.600 0.042 0.000 1.149 360 K CA 0.198 56.509 56.287 0.040 0.000 1.105 360 K CB -0.021 32.506 32.500 0.046 0.000 1.246 360 K HN 0.597 nan 8.250 nan 0.000 0.307 361 M N 0.510 120.132 119.600 0.037 0.000 2.080 361 M HA -0.167 4.313 4.480 0.000 0.000 0.260 361 M C 1.446 177.768 176.300 0.036 0.000 1.068 361 M CA 1.620 56.940 55.300 0.034 0.000 1.109 361 M CB -0.544 32.076 32.600 0.033 0.000 1.342 361 M HN 0.613 nan 8.290 nan 0.000 0.405 362 E N 0.153 120.379 120.200 0.043 0.000 2.510 362 E HA -0.171 4.179 4.350 0.000 0.000 0.202 362 E C 0.938 177.570 176.600 0.054 0.000 1.072 362 E CA 0.556 56.984 56.400 0.046 0.000 0.883 362 E CB 0.163 29.895 29.700 0.053 0.000 0.818 362 E HN 0.473 nan 8.360 nan 0.000 0.548 363 E N -0.285 119.953 120.200 0.063 0.000 2.810 363 E HA 0.070 4.420 4.350 0.000 0.000 0.214 363 E C 1.287 177.925 176.600 0.063 0.000 0.980 363 E CA -0.180 56.290 56.400 0.116 0.000 1.159 363 E CB 0.350 30.147 29.700 0.162 0.000 1.047 363 E HN 0.247 nan 8.360 nan 0.000 0.484 364 L N -0.096 121.136 121.223 0.016 0.000 2.083 364 L HA -0.020 4.320 4.340 0.000 0.000 0.209 364 L C 2.085 178.941 176.870 -0.025 0.000 1.083 364 L CA 1.682 56.528 54.840 0.010 0.000 0.752 364 L CB -0.154 41.909 42.059 0.008 0.000 0.899 364 L HN 0.314 nan 8.230 nan 0.000 0.433 365 G N -1.670 107.065 108.800 -0.108 0.000 2.448 365 G HA2 -0.261 3.699 3.960 0.000 0.000 0.219 365 G HA3 -0.261 3.699 3.960 0.000 0.000 0.219 365 G C 1.173 175.976 174.900 -0.162 0.000 1.127 365 G CA 0.443 45.443 45.100 -0.166 0.000 0.766 365 G HN 0.488 nan 8.290 nan 0.000 0.552 366 H N -0.814 118.265 119.070 0.016 0.000 2.556 366 H HA 0.192 4.748 4.556 0.000 0.000 0.268 366 H C 0.905 176.240 175.328 0.012 0.000 0.996 366 H CA -0.230 55.824 56.048 0.011 0.000 1.157 366 H CB 0.108 29.875 29.762 0.008 0.000 1.355 366 H HN 0.228 nan 8.280 nan 0.000 0.597 367 L N 1.102 122.381 121.223 0.093 0.000 2.488 367 L HA 0.159 4.499 4.340 0.000 0.000 0.249 367 L C 1.188 178.087 176.870 0.048 0.000 1.151 367 L CA -0.331 54.549 54.840 0.067 0.000 0.806 367 L CB 0.864 42.955 42.059 0.053 0.000 1.261 367 L HN 0.150 nan 8.230 nan 0.000 0.484 368 T N -2.330 112.247 114.554 0.039 0.000 2.788 368 T HA 0.169 4.519 4.350 0.000 0.000 0.287 368 T C 1.054 175.770 174.700 0.027 0.000 1.007 368 T CA 0.253 62.371 62.100 0.030 0.000 1.005 368 T CB 0.445 69.327 68.868 0.023 0.000 1.012 368 T HN 0.656 nan 8.240 nan 0.000 0.530 369 T N 0.254 114.822 114.554 0.023 0.000 2.639 369 T HA -0.085 4.265 4.350 0.000 0.000 0.261 369 T C 1.779 176.492 174.700 0.022 0.000 1.053 369 T CA 1.389 63.501 62.100 0.020 0.000 1.158 369 T CB -0.558 68.322 68.868 0.020 0.000 0.863 369 T HN 0.832 nan 8.240 nan 0.000 0.413 370 E N 0.812 121.024 120.200 0.021 0.000 2.097 370 E HA -0.246 4.104 4.350 0.000 0.000 0.196 370 E C 2.068 178.694 176.600 0.043 0.000 1.000 370 E CA 1.158 57.572 56.400 0.024 0.000 0.804 370 E CB 0.023 29.728 29.700 0.009 0.000 0.740 370 E HN 0.196 nan 8.360 nan 0.000 0.454 371 K N 0.328 120.753 120.400 0.040 0.000 2.148 371 K HA -0.138 4.183 4.320 0.000 0.000 0.204 371 K C 2.150 178.808 176.600 0.097 0.000 1.050 371 K CA 0.853 57.185 56.287 0.076 0.000 0.942 371 K CB -0.268 32.263 32.500 0.052 0.000 0.724 371 K HN 0.283 nan 8.250 nan 0.000 0.446 372 Q N 0.973 120.803 119.800 0.051 0.000 2.046 372 Q HA -0.147 4.193 4.340 0.000 0.000 0.200 372 Q C 1.780 177.780 176.000 -0.001 0.000 0.975 372 Q CA 1.456 57.273 55.803 0.023 0.000 0.836 372 Q CB 0.191 28.934 28.738 0.008 0.000 0.896 372 Q HN 0.343 nan 8.270 nan 0.000 0.428 373 E N -0.456 119.744 120.200 0.000 0.000 2.007 373 E HA -0.251 4.099 4.350 0.000 0.000 0.194 373 E C 1.809 178.375 176.600 -0.056 0.000 0.999 373 E CA 1.335 57.704 56.400 -0.052 0.000 0.811 373 E CB -0.440 29.241 29.700 -0.031 0.000 0.762 373 E HN 0.378 nan 8.360 nan 0.000 0.450 374 Y N 1.587 121.830 120.300 -0.095 0.000 2.132 374 Y HA -0.367 4.183 4.550 0.000 0.000 0.280 374 Y C 2.094 177.944 175.900 -0.082 0.000 1.193 374 Y CA 1.680 59.730 58.100 -0.083 0.000 1.157 374 Y CB -0.528 37.909 38.460 -0.040 0.000 0.966 374 Y HN 0.058 nan 8.280 nan 0.000 0.511 375 A N -0.062 122.723 122.820 -0.058 0.000 1.828 375 A HA -0.181 4.139 4.320 0.000 0.000 0.215 375 A C 2.122 179.598 177.584 -0.180 0.000 1.203 375 A CA 1.964 53.928 52.037 -0.122 0.000 0.614 375 A CB -1.323 17.670 19.000 -0.011 0.000 0.844 375 A HN 0.424 nan 8.150 nan 0.000 0.445 376 L N -0.321 120.816 121.223 -0.143 0.000 2.042 376 L HA -0.159 4.181 4.340 0.000 0.000 0.210 376 L C 2.592 179.307 176.870 -0.260 0.000 1.076 376 L CA 1.950 56.694 54.840 -0.159 0.000 0.749 376 L CB -0.801 41.171 42.059 -0.145 0.000 0.893 376 L HN 0.405 nan 8.230 nan 0.000 0.432 377 R N -0.208 120.069 120.500 -0.372 0.000 2.122 377 R HA -0.236 4.104 4.340 0.000 0.000 0.236 377 R C 2.270 178.366 176.300 -0.340 0.000 1.129 377 R CA 2.383 58.150 56.100 -0.556 0.000 0.925 377 R CB -0.648 29.365 30.300 -0.478 0.000 0.850 377 R HN 0.422 nan 8.270 nan 0.000 0.431 378 L N -1.322 119.701 121.223 -0.334 0.000 2.362 378 L HA 0.120 4.460 4.340 0.000 0.000 0.219 378 L C 2.114 178.899 176.870 -0.143 0.000 1.134 378 L CA 1.815 56.506 54.840 -0.249 0.000 0.807 378 L CB -0.472 41.342 42.059 -0.409 0.000 0.927 378 L HN 0.064 nan 8.230 nan 0.000 0.447 379 A N -0.070 122.668 122.820 -0.138 0.000 2.019 379 A HA -0.124 4.197 4.320 0.000 0.000 0.219 379 A C 2.269 179.873 177.584 0.033 0.000 1.164 379 A CA 2.116 54.125 52.037 -0.046 0.000 0.644 379 A CB -1.115 17.858 19.000 -0.044 0.000 0.805 379 A HN 0.558 nan 8.150 nan 0.000 0.449 380 T N -0.542 114.022 114.554 0.016 0.000 2.851 380 T HA -0.055 4.295 4.350 0.000 0.000 0.262 380 T C 1.876 176.635 174.700 0.099 0.000 1.043 380 T CA 1.382 63.527 62.100 0.075 0.000 1.140 380 T CB -0.306 68.657 68.868 0.159 0.000 0.872 380 T HN 0.178 nan 8.240 nan 0.000 0.446 381 V N 1.354 121.317 119.914 0.082 0.000 2.407 381 V HA -0.045 4.075 4.120 0.000 0.000 0.248 381 V C 2.684 178.810 176.094 0.053 0.000 1.055 381 V CA 1.970 64.312 62.300 0.071 0.000 1.049 381 V CB -1.051 30.796 31.823 0.039 0.000 0.662 381 V HN 0.592 nan 8.190 nan 0.000 0.455 382 G N -2.342 106.481 108.800 0.039 0.000 2.986 382 G HA2 -0.130 3.830 3.960 0.000 0.000 0.213 382 G HA3 -0.130 3.830 3.960 0.000 0.000 0.213 382 G C 1.264 176.203 174.900 0.065 0.000 1.156 382 G CA 0.192 45.309 45.100 0.029 0.000 0.763 382 G HN 0.489 nan 8.290 nan 0.000 0.547 383 Y N 2.652 122.941 120.300 -0.018 0.000 2.096 383 Y HA -0.193 4.357 4.550 0.000 0.000 0.278 383 Y C 0.111 176.005 175.900 -0.010 0.000 1.192 383 Y CA 2.311 60.401 58.100 -0.016 0.000 1.143 383 Y CB -0.875 37.576 38.460 -0.015 0.000 0.963 383 Y HN 0.245 nan 8.280 nan 0.000 0.505 384 P HA -0.200 nan 4.420 nan 0.000 0.205 384 P C 1.433 178.729 177.300 -0.006 0.000 1.193 384 P CA 1.939 65.101 63.100 0.104 0.000 0.929 384 P CB -0.090 31.686 31.700 0.126 0.000 0.772 385 K N -0.600 119.809 120.400 0.014 0.000 2.228 385 K HA -0.069 4.251 4.320 0.000 0.000 0.205 385 K C 0.806 177.389 176.600 -0.028 0.000 1.045 385 K CA 1.270 57.559 56.287 0.003 0.000 0.931 385 K CB -0.507 32.013 32.500 0.034 0.000 0.727 385 K HN 0.227 nan 8.250 nan 0.000 0.458 386 A N -2.421 120.361 122.820 -0.062 0.000 2.601 386 A HA 0.554 4.875 4.320 0.000 0.000 0.291 386 A C -0.216 177.284 177.584 -0.141 0.000 1.075 386 A CA 0.023 52.013 52.037 -0.077 0.000 0.671 386 A CB 1.390 20.367 19.000 -0.038 0.000 1.277 386 A HN 0.170 nan 8.150 nan 0.000 0.417 387 G N -0.722 108.004 108.800 -0.123 0.000 2.327 387 G HA2 0.067 4.027 3.960 0.000 0.000 0.159 387 G HA3 0.067 4.027 3.960 0.000 0.000 0.159 387 G C 0.336 175.111 174.900 -0.209 0.000 1.056 387 G CA 0.228 45.236 45.100 -0.153 0.000 0.751 387 G HN 1.537 nan 8.290 nan 0.000 0.488 388 V N -1.193 118.643 119.914 -0.129 0.000 3.129 388 V HA 0.132 4.252 4.120 0.000 0.000 0.259 388 V C 1.362 177.355 176.094 -0.170 0.000 1.116 388 V CA 1.601 63.810 62.300 -0.151 0.000 1.127 388 V CB -0.329 31.453 31.823 -0.069 0.000 0.742 388 V HN 0.523 nan 8.190 nan 0.000 0.474 389 Y N -0.646 119.609 120.300 -0.075 0.000 2.809 389 Y HA 0.425 4.975 4.550 0.000 0.000 0.251 389 Y C 0.908 176.784 175.900 -0.040 0.000 1.136 389 Y CA -0.485 57.588 58.100 -0.046 0.000 1.185 389 Y CB 0.917 39.358 38.460 -0.032 0.000 1.260 389 Y HN 0.105 nan 8.280 nan 0.000 0.576 390 S N -0.353 115.381 115.700 0.056 0.000 2.554 390 S HA 0.479 4.949 4.470 0.000 0.000 0.278 390 S C 1.082 175.697 174.600 0.024 0.000 1.242 390 S CA -0.123 58.098 58.200 0.035 0.000 1.051 390 S CB 0.890 64.087 63.200 -0.005 0.000 0.986 390 S HN 0.531 nan 8.310 nan 0.000 0.502 391 G N 4.516 113.339 108.800 0.038 0.000 3.263 391 G HA2 0.174 4.134 3.960 0.000 0.000 0.246 391 G HA3 0.174 4.134 3.960 0.000 0.000 0.246 391 G C 0.831 175.752 174.900 0.035 0.000 0.982 391 G CA -0.168 44.955 45.100 0.038 0.000 1.897 391 G HN 0.756 nan 8.290 nan 0.000 0.624 392 L N -0.178 121.064 121.223 0.033 0.000 2.005 392 L HA -0.072 4.268 4.340 0.000 0.000 0.207 392 L C 2.607 179.514 176.870 0.062 0.000 1.072 392 L CA 0.868 55.739 54.840 0.053 0.000 0.744 392 L CB -0.213 41.899 42.059 0.089 0.000 0.895 392 L HN 0.310 nan 8.230 nan 0.000 0.433 393 I N 0.105 120.715 120.570 0.067 0.000 2.423 393 I HA -0.200 3.970 4.170 0.000 0.000 0.254 393 I C 2.526 178.681 176.117 0.064 0.000 1.151 393 I CA 1.464 62.794 61.300 0.050 0.000 1.421 393 I CB -1.210 36.807 38.000 0.029 0.000 1.079 393 I HN 0.197 nan 8.210 nan 0.000 0.431 394 G N 0.506 109.341 108.800 0.058 0.000 2.421 394 G HA2 -0.167 3.793 3.960 0.000 0.000 0.216 394 G HA3 -0.167 3.793 3.960 0.000 0.000 0.216 394 G C 1.855 176.794 174.900 0.065 0.000 1.171 394 G CA 0.786 45.924 45.100 0.063 0.000 0.775 394 G HN 0.497 nan 8.290 nan 0.000 0.543 395 G N 1.146 109.977 108.800 0.051 0.000 2.440 395 G HA2 0.011 3.971 3.960 0.000 0.000 0.218 395 G HA3 0.011 3.971 3.960 0.000 0.000 0.218 395 G C 2.059 176.992 174.900 0.056 0.000 1.154 395 G CA 1.571 46.695 45.100 0.040 0.000 0.767 395 G HN 0.681 nan 8.290 nan 0.000 0.552 396 A N 0.121 122.989 122.820 0.081 0.000 1.978 396 A HA -0.008 4.313 4.320 0.000 0.000 0.220 396 A C 2.515 180.252 177.584 0.254 0.000 1.170 396 A CA 2.444 54.567 52.037 0.144 0.000 0.636 396 A CB -0.706 18.360 19.000 0.109 0.000 0.810 396 A HN 0.328 nan 8.150 nan 0.000 0.448 397 T N -0.561 114.122 114.554 0.215 0.000 2.770 397 T HA -0.067 4.283 4.350 0.000 0.000 0.258 397 T C 2.284 177.018 174.700 0.058 0.000 1.039 397 T CA 1.435 63.646 62.100 0.185 0.000 1.143 397 T CB -0.338 68.630 68.868 0.166 0.000 0.866 397 T HN 0.454 nan 8.240 nan 0.000 0.428 398 S N 0.917 116.640 115.700 0.038 0.000 2.365 398 S HA -0.128 4.342 4.470 0.000 0.000 0.225 398 S C 2.244 176.813 174.600 -0.051 0.000 1.039 398 S CA 1.196 59.383 58.200 -0.022 0.000 1.033 398 S CB -0.734 62.447 63.200 -0.033 0.000 0.887 398 S HN 0.318 nan 8.310 nan 0.000 0.447 399 V N 1.791 121.693 119.914 -0.021 0.000 2.343 399 V HA -0.122 3.998 4.120 0.000 0.000 0.247 399 V C 2.060 178.139 176.094 -0.025 0.000 1.051 399 V CA 1.841 64.126 62.300 -0.026 0.000 1.036 399 V CB -0.398 31.423 31.823 -0.004 0.000 0.654 399 V HN 0.468 nan 8.190 nan 0.000 0.451 400 L N -0.216 120.987 121.223 -0.034 0.000 2.027 400 L HA -0.040 4.300 4.340 0.000 0.000 0.206 400 L C 2.214 179.058 176.870 -0.043 0.000 1.074 400 L CA 2.389 57.171 54.840 -0.096 0.000 0.745 400 L CB -1.017 40.837 42.059 -0.342 0.000 0.898 400 L HN 0.381 nan 8.230 nan 0.000 0.433 401 L N -0.523 120.683 121.223 -0.027 0.000 2.021 401 L HA -0.251 4.089 4.340 0.000 0.000 0.215 401 L C 2.536 179.427 176.870 0.034 0.000 1.074 401 L CA 2.280 57.141 54.840 0.036 0.000 0.760 401 L CB -1.050 41.018 42.059 0.016 0.000 0.889 401 L HN 0.384 nan 8.230 nan 0.000 0.433 402 S N -0.355 115.331 115.700 -0.022 0.000 2.353 402 S HA -0.227 4.243 4.470 0.000 0.000 0.222 402 S C 2.097 176.714 174.600 0.029 0.000 1.035 402 S CA 1.274 59.458 58.200 -0.027 0.000 1.025 402 S CB -0.794 62.366 63.200 -0.067 0.000 0.902 402 S HN 0.703 nan 8.310 nan 0.000 0.440 403 A N 1.015 123.865 122.820 0.049 0.000 1.892 403 A HA -0.206 4.114 4.320 0.000 0.000 0.218 403 A C 2.016 179.709 177.584 0.181 0.000 1.188 403 A CA 2.063 54.158 52.037 0.097 0.000 0.631 403 A CB -1.135 17.900 19.000 0.059 0.000 0.822 403 A HN 0.573 nan 8.150 nan 0.000 0.447 404 Y N 1.409 121.714 120.300 0.008 0.000 2.145 404 Y HA -0.214 4.336 4.550 0.000 0.000 0.286 404 Y C 2.125 178.040 175.900 0.024 0.000 1.145 404 Y CA 1.716 59.828 58.100 0.020 0.000 1.148 404 Y CB -1.078 37.381 38.460 -0.002 0.000 0.981 404 Y HN 0.496 nan 8.280 nan 0.000 0.507 405 N N -0.257 118.370 118.700 -0.121 0.000 2.192 405 N HA -0.217 4.523 4.740 0.000 0.000 0.188 405 N C 1.956 177.368 175.510 -0.163 0.000 1.013 405 N CA 0.805 53.709 53.050 -0.243 0.000 0.863 405 N CB -0.253 38.148 38.487 -0.142 0.000 0.990 405 N HN 0.273 nan 8.380 nan 0.000 0.430 406 R N 0.318 120.775 120.500 -0.070 0.000 2.276 406 R HA 0.037 4.377 4.340 0.000 0.000 0.203 406 R C -0.183 175.930 176.300 -0.312 0.000 1.017 406 R CA 0.675 56.690 56.100 -0.142 0.000 1.010 406 R CB 0.174 30.425 30.300 -0.082 0.000 0.900 406 R HN 0.339 nan 8.270 nan 0.000 0.469 407 H N -1.625 117.436 119.070 -0.015 0.000 2.941 407 H HA 0.292 4.848 4.556 0.000 0.000 0.344 407 H C -2.356 173.001 175.328 0.048 0.000 1.235 407 H CA -1.731 54.334 56.048 0.027 0.000 1.149 407 H CB 2.243 32.034 29.762 0.048 0.000 1.885 407 H HN -0.110 nan 8.280 nan 0.000 0.558 408 P HA 0.209 nan 4.420 nan 0.000 0.208 408 P C -0.893 176.567 177.300 0.268 0.000 1.863 408 P CA -0.265 62.948 63.100 0.189 0.000 1.037 408 P CB -0.384 31.408 31.700 0.153 0.000 1.881 409 L N 0.282 121.710 121.223 0.343 0.000 3.601 409 L HA -0.228 4.112 4.340 0.000 0.000 0.469 409 L C -0.286 176.757 176.870 0.288 0.000 1.294 409 L CA 0.737 55.746 54.840 0.282 0.000 0.829 409 L CB -2.655 39.541 42.059 0.228 0.000 1.628 409 L HN 0.327 nan 8.230 nan 0.000 0.868 410 F N -0.277 119.706 119.950 0.055 0.000 2.637 410 F HA 0.353 4.880 4.527 0.000 0.000 0.316 410 F C -1.102 174.641 175.800 -0.095 0.000 1.023 410 F CA -0.662 57.323 58.000 -0.025 0.000 1.071 410 F CB 0.836 39.825 39.000 -0.018 0.000 1.319 410 F HN 0.021 nan 8.300 nan 0.000 0.541 411 Q N 6.224 125.529 119.800 -0.824 0.000 2.230 411 Q HA 0.458 4.798 4.340 0.000 0.000 0.253 411 Q C -2.541 172.752 176.000 -1.178 0.000 0.919 411 Q CA -2.077 53.230 55.803 -0.827 0.000 0.908 411 Q CB 1.547 30.048 28.738 -0.395 0.000 1.245 411 Q HN 0.366 nan 8.270 nan 0.000 0.437 412 P HA -0.060 nan 4.420 nan 0.000 0.261 412 P C 0.843 177.896 177.300 -0.411 0.000 1.173 412 P CA 0.321 63.104 63.100 -0.529 0.000 0.760 412 P CB 0.498 32.038 31.700 -0.267 0.000 0.783 413 L N 2.669 123.721 121.223 -0.286 0.000 2.137 413 L HA -0.205 4.135 4.340 0.000 0.000 0.213 413 L C 0.900 177.461 176.870 -0.514 0.000 1.085 413 L CA 1.566 56.221 54.840 -0.310 0.000 0.760 413 L CB -0.285 41.662 42.059 -0.187 0.000 0.893 413 L HN 0.569 nan 8.230 nan 0.000 0.434 414 H N -1.593 117.452 119.070 -0.041 0.000 2.616 414 H HA 0.195 4.751 4.556 0.000 0.000 0.229 414 H C -0.318 174.994 175.328 -0.027 0.000 1.418 414 H CA -0.142 55.894 56.048 -0.021 0.000 1.248 414 H CB 0.641 30.403 29.762 -0.000 0.000 1.822 414 H HN -0.034 nan 8.280 nan 0.000 0.522 415 T N -0.512 114.051 114.554 0.015 0.000 2.918 415 T HA 0.148 4.498 4.350 0.000 0.000 0.283 415 T C 1.516 176.227 174.700 0.018 0.000 1.001 415 T CA -0.251 61.849 62.100 0.001 0.000 1.041 415 T CB 1.756 70.585 68.868 -0.065 0.000 1.028 415 T HN 0.176 nan 8.240 nan 0.000 0.511 416 V N 4.915 124.843 119.914 0.022 0.000 2.490 416 V HA -0.057 4.063 4.120 0.000 0.000 0.250 416 V C 2.184 178.285 176.094 0.012 0.000 1.061 416 V CA 2.471 64.786 62.300 0.025 0.000 1.064 416 V CB -0.687 31.151 31.823 0.025 0.000 0.670 416 V HN 0.991 nan 8.190 nan 0.000 0.461 417 M N -0.532 119.068 119.600 0.001 0.000 2.349 417 M HA -0.079 4.401 4.480 0.000 0.000 0.266 417 M C 2.195 178.482 176.300 -0.023 0.000 1.076 417 M CA 1.793 57.087 55.300 -0.009 0.000 1.126 417 M CB -0.179 32.419 32.600 -0.003 0.000 1.392 417 M HN 0.336 nan 8.290 nan 0.000 0.440 418 R N 0.584 121.070 120.500 -0.022 0.000 2.083 418 R HA -0.250 4.090 4.340 0.000 0.000 0.237 418 R C 1.928 178.208 176.300 -0.033 0.000 1.137 418 R CA 2.271 58.371 56.100 -0.000 0.000 0.951 418 R CB -0.368 29.933 30.300 0.003 0.000 0.851 418 R HN 0.414 nan 8.270 nan 0.000 0.434 419 E N -0.550 119.651 120.200 0.002 0.000 2.160 419 E HA -0.154 4.196 4.350 0.000 0.000 0.195 419 E C 1.487 178.089 176.600 0.003 0.000 0.991 419 E CA 2.230 58.656 56.400 0.043 0.000 0.810 419 E CB -0.266 29.476 29.700 0.070 0.000 0.742 419 E HN 0.426 nan 8.360 nan 0.000 0.466 420 T N 0.549 115.073 114.554 -0.050 0.000 2.643 420 T HA -0.132 4.218 4.350 0.000 0.000 0.264 420 T C 1.677 176.286 174.700 -0.151 0.000 1.045 420 T CA 1.457 63.505 62.100 -0.086 0.000 1.155 420 T CB -0.385 68.451 68.868 -0.053 0.000 0.863 420 T HN 0.088 nan 8.240 nan 0.000 0.420 421 L N 0.584 121.702 121.223 -0.175 0.000 2.189 421 L HA -0.039 4.301 4.340 0.000 0.000 0.214 421 L C 2.067 178.601 176.870 -0.560 0.000 1.097 421 L CA 1.346 56.062 54.840 -0.207 0.000 0.764 421 L CB -0.961 41.078 42.059 -0.034 0.000 0.900 421 L HN 0.227 nan 8.230 nan 0.000 0.436 422 F N 0.187 119.465 119.950 -1.119 0.000 2.146 422 F HA -0.159 4.368 4.527 0.000 0.000 0.298 422 F C 2.258 177.844 175.800 -0.356 0.000 1.096 422 F CA 1.312 58.602 58.000 -1.183 0.000 1.275 422 F CB -0.316 38.222 39.000 -0.770 0.000 1.008 422 F HN -0.022 nan 8.300 nan 0.000 0.480 423 I N 0.324 120.656 120.570 -0.397 0.000 2.226 423 I HA -0.213 3.957 4.170 0.000 0.000 0.245 423 I C 2.738 178.727 176.117 -0.214 0.000 1.100 423 I CA 1.433 62.542 61.300 -0.318 0.000 1.374 423 I CB -1.409 36.297 38.000 -0.490 0.000 1.057 423 I HN 0.314 nan 8.210 nan 0.000 0.413 424 G N 0.679 109.366 108.800 -0.188 0.000 2.402 424 G HA2 -0.267 3.693 3.960 0.000 0.000 0.216 424 G HA3 -0.267 3.693 3.960 0.000 0.000 0.216 424 G C 1.816 176.656 174.900 -0.100 0.000 1.162 424 G CA 0.979 46.030 45.100 -0.083 0.000 0.777 424 G HN 0.498 nan 8.290 nan 0.000 0.539 425 S N 0.508 116.135 115.700 -0.121 0.000 2.380 425 S HA -0.289 4.181 4.470 0.000 0.000 0.229 425 S C 2.093 176.551 174.600 -0.237 0.000 1.043 425 S CA 1.811 59.924 58.200 -0.145 0.000 1.038 425 S CB -0.869 62.367 63.200 0.061 0.000 0.872 425 S HN 0.523 nan 8.310 nan 0.000 0.456 426 H N 0.466 119.441 119.070 -0.158 0.000 2.289 426 H HA -0.029 4.527 4.556 0.000 0.000 0.296 426 H C 2.499 177.695 175.328 -0.221 0.000 1.091 426 H CA 1.696 57.642 56.048 -0.170 0.000 1.274 426 H CB -1.011 28.663 29.762 -0.147 0.000 1.364 426 H HN 0.405 nan 8.280 nan 0.000 0.490 427 V N 1.161 121.023 119.914 -0.087 0.000 2.913 427 V HA -0.132 3.988 4.120 0.000 0.000 0.260 427 V C 2.223 178.169 176.094 -0.246 0.000 1.098 427 V CA 0.852 63.026 62.300 -0.211 0.000 1.121 427 V CB -0.425 31.352 31.823 -0.078 0.000 0.714 427 V HN 0.132 nan 8.190 nan 0.000 0.487 428 V N -0.747 119.015 119.914 -0.253 0.000 2.426 428 V HA -0.072 4.048 4.120 0.000 0.000 0.242 428 V C 2.230 178.180 176.094 -0.241 0.000 1.036 428 V CA 1.546 63.656 62.300 -0.318 0.000 1.044 428 V CB -0.322 31.103 31.823 -0.663 0.000 0.688 428 V HN 0.517 nan 8.190 nan 0.000 0.462 429 L N 0.373 121.473 121.223 -0.206 0.000 1.989 429 L HA -0.171 4.169 4.340 0.000 0.000 0.211 429 L C 2.614 179.406 176.870 -0.130 0.000 1.071 429 L CA 2.076 56.839 54.840 -0.129 0.000 0.749 429 L CB -0.661 41.348 42.059 -0.085 0.000 0.890 429 L HN 0.149 nan 8.230 nan 0.000 0.431 430 R N -0.829 119.551 120.500 -0.199 0.000 2.119 430 R HA -0.274 4.066 4.340 0.000 0.000 0.246 430 R C 2.269 178.469 176.300 -0.167 0.000 1.146 430 R CA 1.936 57.884 56.100 -0.254 0.000 0.962 430 R CB -0.256 29.713 30.300 -0.551 0.000 0.863 430 R HN 0.448 nan 8.270 nan 0.000 0.442 431 E N 0.530 120.635 120.200 -0.158 0.000 2.031 431 E HA -0.177 4.173 4.350 0.000 0.000 0.193 431 E C 1.946 178.567 176.600 0.036 0.000 0.994 431 E CA 1.398 57.799 56.400 0.002 0.000 0.800 431 E CB -0.324 29.369 29.700 -0.012 0.000 0.752 431 E HN 0.286 nan 8.360 nan 0.000 0.447 432 L N 0.344 121.579 121.223 0.019 0.000 2.013 432 L HA -0.225 4.115 4.340 0.000 0.000 0.212 432 L C 2.590 179.539 176.870 0.133 0.000 1.073 432 L CA 1.565 56.495 54.840 0.150 0.000 0.753 432 L CB -0.468 41.634 42.059 0.071 0.000 0.890 432 L HN 0.085 nan 8.230 nan 0.000 0.432 433 R N -0.238 120.266 120.500 0.006 0.000 2.200 433 R HA -0.075 4.265 4.340 0.000 0.000 0.234 433 R C 0.747 177.024 176.300 -0.039 0.000 1.127 433 R CA 0.649 56.713 56.100 -0.060 0.000 0.989 433 R CB -0.923 29.334 30.300 -0.071 0.000 0.869 433 R HN 0.180 nan 8.270 nan 0.000 0.459 434 L N 1.715 122.973 121.223 0.059 0.000 2.470 434 L HA -0.024 4.316 4.340 0.000 0.000 0.243 434 L C 1.521 178.442 176.870 0.085 0.000 1.227 434 L CA 0.670 55.553 54.840 0.072 0.000 0.824 434 L CB 0.182 42.302 42.059 0.103 0.000 1.175 434 L HN 0.232 nan 8.230 nan 0.000 0.503 435 N N -1.208 117.534 118.700 0.069 0.000 2.177 435 N HA 0.038 4.778 4.740 0.000 0.000 0.218 435 N C -0.768 174.822 175.510 0.133 0.000 1.182 435 N CA -0.007 53.085 53.050 0.069 0.000 0.882 435 N CB 0.442 38.937 38.487 0.012 0.000 1.052 435 N HN 0.217 nan 8.380 nan 0.000 0.519 436 V N 2.415 122.405 119.914 0.127 0.000 2.320 436 V HA 0.175 4.295 4.120 0.000 0.000 0.265 436 V C 0.578 176.705 176.094 0.055 0.000 1.048 436 V CA -0.634 61.705 62.300 0.066 0.000 0.865 436 V CB 0.198 32.018 31.823 -0.004 0.000 1.043 436 V HN 0.252 nan 8.190 nan 0.000 0.474 437 T N 1.461 116.063 114.554 0.080 0.000 3.826 437 T HA 0.110 4.460 4.350 0.000 0.000 0.239 437 T C 0.410 175.070 174.700 -0.067 0.000 1.007 437 T CA -0.215 61.888 62.100 0.005 0.000 1.171 437 T CB -1.043 67.879 68.868 0.090 0.000 1.153 437 T HN 0.620 nan 8.240 nan 0.000 0.854 438 T N 3.650 118.124 114.554 -0.133 0.000 2.779 438 T HA 0.366 4.716 4.350 0.000 0.000 0.280 438 T C 0.382 175.010 174.700 -0.120 0.000 0.987 438 T CA -0.892 61.130 62.100 -0.130 0.000 0.966 438 T CB 1.283 70.036 68.868 -0.191 0.000 0.933 438 T HN 0.629 nan 8.240 nan 0.000 0.442 439 Q N 0.592 120.352 119.800 -0.067 0.000 2.494 439 Q HA -0.222 4.118 4.340 0.000 0.000 0.266 439 Q C 1.584 177.553 176.000 -0.051 0.000 1.053 439 Q CA 0.599 56.380 55.803 -0.037 0.000 1.029 439 Q CB -1.974 26.746 28.738 -0.030 0.000 1.423 439 Q HN 1.022 nan 8.270 nan 0.000 0.516 440 G N 1.250 110.006 108.800 -0.073 0.000 2.476 440 G HA2 -0.205 3.755 3.960 0.000 0.000 0.218 440 G HA3 -0.205 3.755 3.960 0.000 0.000 0.218 440 G C -0.949 173.949 174.900 -0.002 0.000 1.164 440 G CA 1.411 46.467 45.100 -0.074 0.000 0.768 440 G HN 0.366 nan 8.290 nan 0.000 0.560 441 P HA -0.090 nan 4.420 nan 0.000 0.216 441 P C 1.542 178.875 177.300 0.055 0.000 1.153 441 P CA 1.374 64.502 63.100 0.046 0.000 0.848 441 P CB -0.068 31.662 31.700 0.049 0.000 0.787 442 N N -0.862 117.867 118.700 0.049 0.000 2.309 442 N HA -0.120 4.620 4.740 0.000 0.000 0.182 442 N C 1.545 177.105 175.510 0.084 0.000 1.018 442 N CA 0.668 53.758 53.050 0.067 0.000 0.876 442 N CB -0.704 37.818 38.487 0.057 0.000 0.972 442 N HN 0.033 nan 8.380 nan 0.000 0.434 443 L N -0.533 120.722 121.223 0.052 0.000 2.127 443 L HA 0.215 4.555 4.340 0.000 0.000 0.203 443 L C 2.102 179.032 176.870 0.100 0.000 1.080 443 L CA 1.111 55.986 54.840 0.058 0.000 0.768 443 L CB -0.546 41.493 42.059 -0.033 0.000 0.924 443 L HN 0.124 nan 8.230 nan 0.000 0.444 444 A N 0.205 123.071 122.820 0.076 0.000 1.948 444 A HA -0.272 4.048 4.320 0.000 0.000 0.220 444 A C 2.192 179.827 177.584 0.086 0.000 1.177 444 A CA 2.102 54.191 52.037 0.087 0.000 0.636 444 A CB -1.013 18.031 19.000 0.074 0.000 0.815 444 A HN 0.540 nan 8.150 nan 0.000 0.449 445 L N -1.532 119.745 121.223 0.089 0.000 1.989 445 L HA -0.187 4.153 4.340 0.000 0.000 0.211 445 L C 2.263 179.191 176.870 0.097 0.000 1.071 445 L CA 2.577 57.462 54.840 0.075 0.000 0.749 445 L CB -1.122 41.000 42.059 0.105 0.000 0.890 445 L HN 0.503 nan 8.230 nan 0.000 0.431 446 Y N 0.187 120.504 120.300 0.027 0.000 2.139 446 Y HA -0.379 4.171 4.550 0.000 0.000 0.282 446 Y C 2.634 178.537 175.900 0.006 0.000 1.179 446 Y CA 2.376 60.491 58.100 0.025 0.000 1.161 446 Y CB -0.095 38.382 38.460 0.027 0.000 0.970 446 Y HN 0.435 nan 8.280 nan 0.000 0.511 447 Q N -0.651 119.306 119.800 0.262 0.000 2.050 447 Q HA -0.224 4.116 4.340 0.000 0.000 0.202 447 Q C 2.220 178.243 176.000 0.038 0.000 0.980 447 Q CA 1.620 57.518 55.803 0.158 0.000 0.840 447 Q CB -0.464 28.350 28.738 0.127 0.000 0.898 447 Q HN 0.498 nan 8.270 nan 0.000 0.424 448 L N 1.125 122.347 121.223 -0.003 0.000 1.990 448 L HA -0.216 4.124 4.340 0.000 0.000 0.213 448 L C 2.079 178.880 176.870 -0.115 0.000 1.072 448 L CA 1.706 56.496 54.840 -0.083 0.000 0.755 448 L CB -0.673 41.274 42.059 -0.186 0.000 0.889 448 L HN 0.187 nan 8.230 nan 0.000 0.432 449 L N -0.678 120.469 121.223 -0.126 0.000 1.971 449 L HA -0.272 4.068 4.340 0.000 0.000 0.215 449 L C 2.671 179.337 176.870 -0.341 0.000 1.072 449 L CA 1.924 56.598 54.840 -0.276 0.000 0.758 449 L CB -1.232 40.681 42.059 -0.244 0.000 0.889 449 L HN 0.514 nan 8.230 nan 0.000 0.433 450 S N -1.303 114.262 115.700 -0.224 0.000 2.387 450 S HA -0.220 4.250 4.470 0.000 0.000 0.230 450 S C 1.892 176.407 174.600 -0.141 0.000 1.035 450 S CA 1.888 59.995 58.200 -0.155 0.000 1.014 450 S CB -1.052 62.144 63.200 -0.007 0.000 0.836 450 S HN 0.410 nan 8.310 nan 0.000 0.466 451 T N 2.877 117.360 114.554 -0.119 0.000 2.652 451 T HA -0.001 4.349 4.350 0.000 0.000 0.267 451 T C 2.269 176.906 174.700 -0.105 0.000 1.039 451 T CA 1.532 63.567 62.100 -0.108 0.000 1.153 451 T CB -0.903 67.911 68.868 -0.090 0.000 0.863 451 T HN 0.638 nan 8.240 nan 0.000 0.428 452 A N 1.082 123.824 122.820 -0.130 0.000 1.908 452 A HA -0.005 4.315 4.320 0.000 0.000 0.218 452 A C 2.275 179.794 177.584 -0.108 0.000 1.181 452 A CA 1.273 53.251 52.037 -0.099 0.000 0.627 452 A CB -0.926 17.995 19.000 -0.131 0.000 0.818 452 A HN 0.481 nan 8.150 nan 0.000 0.445 453 L N -1.084 120.017 121.223 -0.203 0.000 2.265 453 L HA -0.149 4.191 4.340 0.000 0.000 0.215 453 L C 1.807 178.644 176.870 -0.054 0.000 1.117 453 L CA 0.512 55.278 54.840 -0.123 0.000 0.782 453 L CB -0.329 41.627 42.059 -0.171 0.000 0.914 453 L HN 0.543 nan 8.230 nan 0.000 0.441 454 c N 1.120 119.675 118.600 -0.075 0.000 2.694 454 c HA 0.182 4.752 4.570 0.000 0.000 0.455 454 c C 1.635 175.705 174.090 -0.032 0.000 1.293 454 c CA -0.906 55.388 56.329 -0.058 0.000 1.614 454 c CB -2.317 40.150 42.510 -0.072 0.000 2.015 454 c HN 0.455 nan 8.230 nan 0.000 0.608 455 S N 0.911 116.606 115.700 -0.008 0.000 2.624 455 S HA 0.487 4.957 4.470 0.000 0.000 0.263 455 S C 1.411 175.981 174.600 -0.050 0.000 1.287 455 S CA 0.158 58.354 58.200 -0.006 0.000 0.990 455 S CB 1.161 64.384 63.200 0.038 0.000 0.950 455 S HN 0.798 nan 8.310 nan 0.000 0.561 456 A N 0.643 123.422 122.820 -0.068 0.000 2.024 456 A HA -0.044 4.276 4.320 0.000 0.000 0.220 456 A C 2.025 179.512 177.584 -0.160 0.000 1.164 456 A CA 1.505 53.478 52.037 -0.107 0.000 0.643 456 A CB -0.971 17.964 19.000 -0.110 0.000 0.806 456 A HN 0.844 nan 8.150 nan 0.000 0.451 457 L N -0.301 120.812 121.223 -0.183 0.000 2.056 457 L HA -0.098 4.242 4.340 0.000 0.000 0.207 457 L C 2.340 178.951 176.870 -0.433 0.000 1.078 457 L CA 2.555 57.186 54.840 -0.349 0.000 0.749 457 L CB -0.541 41.291 42.059 -0.379 0.000 0.901 457 L HN 0.559 nan 8.230 nan 0.000 0.433 458 E N 0.191 120.285 120.200 -0.177 0.000 2.001 458 E HA -0.276 4.074 4.350 0.000 0.000 0.195 458 E C 2.244 178.771 176.600 -0.122 0.000 1.002 458 E CA 2.173 58.591 56.400 0.030 0.000 0.819 458 E CB -0.768 28.989 29.700 0.096 0.000 0.769 458 E HN 0.465 nan 8.360 nan 0.000 0.454 459 I N 0.005 120.478 120.570 -0.161 0.000 2.381 459 I HA -0.226 3.944 4.170 0.000 0.000 0.255 459 I C 1.931 177.864 176.117 -0.307 0.000 1.140 459 I CA 1.851 62.986 61.300 -0.275 0.000 1.404 459 I CB -0.438 37.462 38.000 -0.167 0.000 1.075 459 I HN 0.335 nan 8.210 nan 0.000 0.433 460 G N -0.109 108.548 108.800 -0.238 0.000 2.404 460 G HA2 -0.186 3.774 3.960 0.000 0.000 0.214 460 G HA3 -0.186 3.774 3.960 0.000 0.000 0.214 460 G C 1.469 176.239 174.900 -0.217 0.000 1.189 460 G CA 0.267 45.234 45.100 -0.222 0.000 0.789 460 G HN 0.312 nan 8.290 nan 0.000 0.533 461 E N 0.478 120.542 120.200 -0.228 0.000 2.110 461 E HA -0.069 4.281 4.350 0.000 0.000 0.193 461 E C 2.850 179.380 176.600 -0.117 0.000 0.988 461 E CA 0.471 56.782 56.400 -0.149 0.000 0.804 461 E CB -0.471 29.170 29.700 -0.098 0.000 0.745 461 E HN 0.267 nan 8.360 nan 0.000 0.458 462 V N 1.125 120.933 119.914 -0.176 0.000 2.332 462 V HA -0.261 3.859 4.120 0.000 0.000 0.248 462 V C 2.397 178.350 176.094 -0.235 0.000 1.055 462 V CA 1.285 63.448 62.300 -0.229 0.000 1.038 462 V CB -0.421 31.153 31.823 -0.415 0.000 0.651 462 V HN 0.158 nan 8.190 nan 0.000 0.450 463 L N -0.235 120.814 121.223 -0.290 0.000 2.017 463 L HA -0.144 4.196 4.340 0.000 0.000 0.208 463 L C 2.562 179.365 176.870 -0.112 0.000 1.073 463 L CA 2.097 56.813 54.840 -0.207 0.000 0.745 463 L CB -1.043 40.893 42.059 -0.205 0.000 0.894 463 L HN 0.310 nan 8.230 nan 0.000 0.432 464 R N -0.071 120.366 120.500 -0.105 0.000 2.112 464 R HA -0.182 4.158 4.340 0.000 0.000 0.242 464 R C 2.202 178.483 176.300 -0.032 0.000 1.137 464 R CA 2.000 58.062 56.100 -0.063 0.000 0.944 464 R CB -1.279 28.983 30.300 -0.063 0.000 0.857 464 R HN 0.366 nan 8.270 nan 0.000 0.435 465 G N 0.335 109.118 108.800 -0.029 0.000 2.418 465 G HA2 -0.224 3.736 3.960 0.000 0.000 0.217 465 G HA3 -0.224 3.736 3.960 0.000 0.000 0.217 465 G C 1.519 176.429 174.900 0.017 0.000 1.158 465 G CA 0.995 46.101 45.100 0.010 0.000 0.771 465 G HN 0.316 nan 8.290 nan 0.000 0.545 466 L N 0.631 121.852 121.223 -0.004 0.000 2.012 466 L HA -0.121 4.219 4.340 0.000 0.000 0.210 466 L C 3.443 180.322 176.870 0.016 0.000 1.073 466 L CA 1.221 56.070 54.840 0.016 0.000 0.748 466 L CB -0.431 41.637 42.059 0.014 0.000 0.891 466 L HN 0.322 nan 8.230 nan 0.000 0.431 467 A N -0.130 122.690 122.820 0.000 0.000 1.877 467 A HA -0.153 4.167 4.320 0.000 0.000 0.216 467 A C 2.132 179.722 177.584 0.010 0.000 1.186 467 A CA 1.402 53.440 52.037 0.003 0.000 0.620 467 A CB -0.722 18.273 19.000 -0.010 0.000 0.822 467 A HN 0.389 nan 8.150 nan 0.000 0.443 468 L N -0.870 120.359 121.223 0.011 0.000 2.610 468 L HA 0.108 4.448 4.340 0.000 0.000 0.232 468 L C 1.666 178.553 176.870 0.028 0.000 1.149 468 L CA 0.497 55.348 54.840 0.018 0.000 0.872 468 L CB -0.401 41.669 42.059 0.019 0.000 0.992 468 L HN 0.631 nan 8.230 nan 0.000 0.447 469 G N 0.205 109.025 108.800 0.033 0.000 2.179 469 G HA2 -0.368 3.592 3.960 0.000 0.000 0.257 469 G HA3 -0.368 3.592 3.960 0.000 0.000 0.257 469 G C 0.936 175.869 174.900 0.055 0.000 1.010 469 G CA 0.754 45.879 45.100 0.041 0.000 0.736 469 G HN 0.426 nan 8.290 nan 0.000 0.513 470 T N -3.105 111.495 114.554 0.076 0.000 3.009 470 T HA 0.327 4.677 4.350 0.000 0.000 0.258 470 T C 0.823 175.644 174.700 0.202 0.000 1.063 470 T CA 1.344 63.514 62.100 0.117 0.000 1.139 470 T CB 0.435 69.395 68.868 0.152 0.000 0.890 470 T HN 0.415 nan 8.240 nan 0.000 0.471 471 E N 1.684 121.981 120.200 0.162 0.000 2.166 471 E HA 0.470 4.820 4.350 0.000 0.000 0.275 471 E C 1.083 177.740 176.600 0.094 0.000 0.941 471 E CA -0.232 56.254 56.400 0.144 0.000 0.784 471 E CB 1.836 31.553 29.700 0.030 0.000 1.115 471 E HN 0.234 nan 8.360 nan 0.000 0.399 472 S N 3.094 118.850 115.700 0.093 0.000 2.406 472 S HA 0.108 4.578 4.470 0.000 0.000 0.228 472 S C 1.503 176.145 174.600 0.071 0.000 1.020 472 S CA 0.420 58.657 58.200 0.062 0.000 0.965 472 S CB -0.376 62.847 63.200 0.039 0.000 0.798 472 S HN 1.178 nan 8.310 nan 0.000 0.488 473 G N 0.817 109.668 108.800 0.085 0.000 2.132 473 G HA2 -0.215 3.745 3.960 0.000 0.000 0.228 473 G HA3 -0.215 3.745 3.960 0.000 0.000 0.228 473 G C 0.359 175.372 174.900 0.189 0.000 1.000 473 G CA 0.322 45.516 45.100 0.156 0.000 0.693 473 G HN 0.606 nan 8.290 nan 0.000 0.515 474 L N -0.645 120.629 121.223 0.085 0.000 2.056 474 L HA 0.566 4.907 4.340 0.000 0.000 0.207 474 L C 0.941 177.919 176.870 0.180 0.000 1.078 474 L CA 2.135 56.986 54.840 0.018 0.000 0.749 474 L CB -0.156 41.776 42.059 -0.210 0.000 0.901 474 L HN 0.585 nan 8.230 nan 0.000 0.433 475 F N -0.974 118.972 119.950 -0.006 0.000 2.599 475 F HA 0.597 5.124 4.527 0.000 0.000 0.311 475 F C -0.667 175.078 175.800 -0.091 0.000 1.076 475 F CA -0.330 57.731 58.000 0.100 0.000 0.937 475 F CB 1.584 40.577 39.000 -0.011 0.000 1.282 475 F HN -0.199 nan 8.300 nan 0.000 0.460 476 S N 4.885 119.594 115.700 -1.651 0.000 2.560 476 S HA 0.381 4.852 4.470 0.000 0.000 0.283 476 S C -2.546 171.223 174.600 -1.385 0.000 1.141 476 S CA -1.040 56.315 58.200 -1.409 0.000 0.902 476 S CB 1.922 64.537 63.200 -0.974 0.000 1.104 476 S HN 0.489 nan 8.310 nan 0.000 0.454 477 P HA 0.018 nan 4.420 nan 0.000 0.226 477 P C 1.248 178.392 177.300 -0.260 0.000 1.146 477 P CA 0.745 63.620 63.100 -0.376 0.000 0.773 477 P CB -0.411 31.174 31.700 -0.191 0.000 0.772 478 c N -1.754 116.639 118.600 -0.345 0.000 2.457 478 c HA -0.076 4.494 4.570 0.000 0.000 0.278 478 c C 2.478 176.513 174.090 -0.091 0.000 1.309 478 c CA 0.289 56.505 56.329 -0.190 0.000 1.735 478 c CB -2.119 40.331 42.510 -0.099 0.000 1.992 478 c HN 0.179 nan 8.230 nan 0.000 0.493 479 Y N 0.991 121.200 120.300 -0.152 0.000 2.446 479 Y HA -0.076 4.474 4.550 0.000 0.000 0.287 479 Y C 1.785 177.657 175.900 -0.046 0.000 1.159 479 Y CA 1.049 59.078 58.100 -0.118 0.000 1.297 479 Y CB -0.745 37.650 38.460 -0.108 0.000 0.974 479 Y HN 0.305 nan 8.280 nan 0.000 0.557 480 L N -1.914 119.379 121.223 0.116 0.000 3.039 480 L HA 0.186 4.526 4.340 0.000 0.000 0.269 480 L C 1.021 177.931 176.870 0.066 0.000 1.169 480 L CA -0.000 54.905 54.840 0.109 0.000 0.986 480 L CB -0.126 42.027 42.059 0.156 0.000 1.377 480 L HN -0.088 nan 8.230 nan 0.000 0.575 481 S N 0.175 115.871 115.700 -0.006 0.000 2.589 481 S HA 0.261 4.731 4.470 0.000 0.000 0.265 481 S C 0.574 175.051 174.600 -0.205 0.000 1.342 481 S CA -0.257 57.893 58.200 -0.083 0.000 1.005 481 S CB 0.481 63.607 63.200 -0.123 0.000 0.909 481 S HN 0.220 nan 8.310 nan 0.000 0.555 482 L N 0.891 121.950 121.223 -0.274 0.000 2.978 482 L HA 0.340 4.680 4.340 0.000 0.000 0.239 482 L C 1.056 177.371 176.870 -0.924 0.000 1.293 482 L CA -0.152 54.352 54.840 -0.559 0.000 1.085 482 L CB -0.265 41.738 42.059 -0.093 0.000 1.432 482 L HN 0.569 nan 8.230 nan 0.000 0.512 483 R N 1.002 121.046 120.500 -0.760 0.000 2.369 483 R HA 0.206 4.546 4.340 0.000 0.000 0.310 483 R C -0.487 175.540 176.300 -0.456 0.000 1.141 483 R CA -0.434 55.384 56.100 -0.471 0.000 1.116 483 R CB 0.202 30.380 30.300 -0.204 0.000 1.135 483 R HN 0.104 nan 8.270 nan 0.000 0.529 484 F N 1.119 121.108 119.950 0.064 0.000 2.713 484 F HA 0.131 4.658 4.527 0.000 0.000 0.294 484 F C 1.430 177.262 175.800 0.053 0.000 1.152 484 F CA -0.473 57.563 58.000 0.060 0.000 1.385 484 F CB 0.169 39.211 39.000 0.070 0.000 0.981 484 F HN 0.413 nan 8.300 nan 0.000 0.514 485 D N 0.890 121.365 120.400 0.124 0.000 2.240 485 D HA -0.035 4.605 4.640 0.000 0.000 0.206 485 D C 0.718 177.067 176.300 0.082 0.000 0.963 485 D CA 0.473 54.532 54.000 0.099 0.000 0.863 485 D CB 0.120 40.956 40.800 0.059 0.000 0.973 485 D HN 0.118 nan 8.370 nan 0.000 0.501 486 L N 1.619 122.889 121.223 0.079 0.000 2.500 486 L HA 0.349 4.689 4.340 0.000 0.000 0.272 486 L C 0.571 177.497 176.870 0.094 0.000 1.149 486 L CA -0.212 54.680 54.840 0.087 0.000 0.897 486 L CB -0.417 41.713 42.059 0.119 0.000 1.178 486 L HN 0.025 nan 8.230 nan 0.000 0.473 487 T N -0.480 114.119 114.554 0.076 0.000 2.807 487 T HA 0.536 4.886 4.350 0.000 0.000 0.277 487 T C 1.041 175.779 174.700 0.062 0.000 1.006 487 T CA -0.684 61.457 62.100 0.068 0.000 1.006 487 T CB 1.406 70.307 68.868 0.055 0.000 1.274 487 T HN 0.487 nan 8.240 nan 0.000 0.569 488 R N 0.815 121.346 120.500 0.052 0.000 2.112 488 R HA -0.147 4.193 4.340 0.000 0.000 0.242 488 R C 1.702 178.024 176.300 0.036 0.000 1.137 488 R CA 2.496 58.623 56.100 0.045 0.000 0.944 488 R CB -1.324 28.996 30.300 0.034 0.000 0.857 488 R HN 0.784 nan 8.270 nan 0.000 0.435 489 D N -0.452 119.965 120.400 0.028 0.000 2.091 489 D HA -0.133 4.508 4.640 0.000 0.000 0.199 489 D C 1.699 178.008 176.300 0.014 0.000 0.980 489 D CA 1.206 55.217 54.000 0.018 0.000 0.831 489 D CB -0.259 40.550 40.800 0.015 0.000 0.987 489 D HN 0.092 nan 8.370 nan 0.000 0.460 490 K N 1.518 121.931 120.400 0.021 0.000 2.074 490 K HA -0.133 4.187 4.320 0.000 0.000 0.209 490 K C 2.222 178.830 176.600 0.013 0.000 1.048 490 K CA 0.919 57.216 56.287 0.016 0.000 0.926 490 K CB -0.718 31.799 32.500 0.029 0.000 0.713 490 K HN 0.077 nan 8.250 nan 0.000 0.444 491 L N 0.040 121.282 121.223 0.033 0.000 2.083 491 L HA -0.111 4.229 4.340 0.000 0.000 0.209 491 L C 2.376 179.244 176.870 -0.004 0.000 1.083 491 L CA 1.019 55.879 54.840 0.032 0.000 0.752 491 L CB -0.270 41.843 42.059 0.090 0.000 0.899 491 L HN 0.223 nan 8.230 nan 0.000 0.433 492 L N -1.193 120.030 121.223 0.001 0.000 2.353 492 L HA -0.195 4.145 4.340 0.000 0.000 0.220 492 L C 2.417 179.269 176.870 -0.030 0.000 1.133 492 L CA 0.723 55.555 54.840 -0.013 0.000 0.798 492 L CB -0.047 42.009 42.059 -0.004 0.000 0.922 492 L HN 0.260 nan 8.230 nan 0.000 0.445 493 S N -0.716 114.965 115.700 -0.032 0.000 2.362 493 S HA -0.132 4.339 4.470 0.000 0.000 0.221 493 S C 1.741 176.302 174.600 -0.064 0.000 1.032 493 S CA 1.075 59.247 58.200 -0.047 0.000 0.973 493 S CB -0.099 63.075 63.200 -0.043 0.000 0.849 493 S HN 0.271 nan 8.310 nan 0.000 0.465 494 M N 1.750 121.310 119.600 -0.068 0.000 2.374 494 M HA 0.181 4.661 4.480 0.000 0.000 0.264 494 M C 0.907 177.144 176.300 -0.105 0.000 1.067 494 M CA 0.130 55.374 55.300 -0.092 0.000 1.103 494 M CB -0.727 31.813 32.600 -0.100 0.000 1.402 494 M HN 0.220 nan 8.290 nan 0.000 0.444 495 A N 2.133 124.899 122.820 -0.090 0.000 2.561 495 A HA 0.201 4.521 4.320 0.000 0.000 0.234 495 A C -2.030 175.503 177.584 -0.084 0.000 1.055 495 A CA -0.934 51.050 52.037 -0.089 0.000 0.756 495 A CB -1.016 17.945 19.000 -0.065 0.000 0.986 495 A HN 0.218 nan 8.150 nan 0.000 0.505 496 P HA 0.073 nan 4.420 nan 0.000 0.271 496 P C -1.014 176.251 177.300 -0.059 0.000 1.220 496 P CA 0.108 63.162 63.100 -0.077 0.000 0.768 496 P CB 0.661 32.316 31.700 -0.075 0.000 0.848 497 Q N 3.011 122.777 119.800 -0.057 0.000 2.503 497 Q HA 0.305 4.645 4.340 0.000 0.000 0.227 497 Q C -0.282 175.694 176.000 -0.039 0.000 1.109 497 Q CA 0.195 55.970 55.803 -0.046 0.000 0.922 497 Q CB 0.933 29.642 28.738 -0.049 0.000 1.249 497 Q HN 0.540 nan 8.270 nan 0.000 0.530 498 E N 0.024 120.204 120.200 -0.033 0.000 2.352 498 E HA 0.411 4.761 4.350 0.000 0.000 0.280 498 E C -0.356 176.231 176.600 -0.021 0.000 0.930 498 E CA -0.439 55.945 56.400 -0.027 0.000 0.765 498 E CB 1.564 31.248 29.700 -0.028 0.000 1.219 498 E HN 0.470 nan 8.360 nan 0.000 0.434 499 A N 1.179 123.989 122.820 -0.017 0.000 2.167 499 A HA -0.039 4.281 4.320 0.000 0.000 0.214 499 A C 1.507 179.085 177.584 -0.010 0.000 1.151 499 A CA 1.006 53.036 52.037 -0.013 0.000 0.735 499 A CB -0.321 18.672 19.000 -0.011 0.000 0.802 499 A HN 0.548 nan 8.150 nan 0.000 0.467 500 T N -0.213 114.334 114.554 -0.011 0.000 3.118 500 T HA 0.238 4.588 4.350 0.000 0.000 0.260 500 T C -0.024 174.671 174.700 -0.008 0.000 1.139 500 T CA 0.495 62.590 62.100 -0.008 0.000 1.085 500 T CB -0.301 68.562 68.868 -0.009 0.000 0.934 500 T HN 0.155 nan 8.240 nan 0.000 0.518 501 L N 1.597 122.813 121.223 -0.011 0.000 2.333 501 L HA 0.422 4.762 4.340 0.000 0.000 0.280 501 L C -0.251 176.613 176.870 -0.009 0.000 1.004 501 L CA -0.968 53.865 54.840 -0.011 0.000 0.820 501 L CB 1.464 43.512 42.059 -0.017 0.000 1.247 501 L HN -0.122 nan 8.230 nan 0.000 0.416 502 D N 2.109 122.506 120.400 -0.005 0.000 2.368 502 D HA -0.027 4.613 4.640 0.000 0.000 0.268 502 D C 1.107 177.403 176.300 -0.005 0.000 1.298 502 D CA 0.321 54.319 54.000 -0.004 0.000 0.938 502 D CB 0.866 41.666 40.800 -0.000 0.000 1.101 502 D HN 0.388 nan 8.370 nan 0.000 0.509 503 Q N 3.079 122.875 119.800 -0.007 0.000 2.217 503 Q HA -0.267 4.073 4.340 0.000 0.000 0.209 503 Q C 1.726 177.723 176.000 -0.005 0.000 0.988 503 Q CA 1.651 57.449 55.803 -0.008 0.000 0.878 503 Q CB -0.267 28.466 28.738 -0.008 0.000 0.909 503 Q HN 0.695 nan 8.270 nan 0.000 0.424 504 A N 0.680 123.499 122.820 -0.002 0.000 1.872 504 A HA 0.019 4.339 4.320 0.000 0.000 0.214 504 A C 2.354 179.939 177.584 0.003 0.000 1.187 504 A CA 1.587 53.624 52.037 0.001 0.000 0.614 504 A CB -0.650 18.351 19.000 0.002 0.000 0.826 504 A HN 0.368 nan 8.150 nan 0.000 0.442 505 A N -0.286 122.536 122.820 0.002 0.000 1.908 505 A HA -0.045 4.275 4.320 0.000 0.000 0.218 505 A C 2.213 179.799 177.584 0.003 0.000 1.181 505 A CA 1.917 53.957 52.037 0.005 0.000 0.627 505 A CB -1.050 17.952 19.000 0.004 0.000 0.818 505 A HN 0.427 nan 8.150 nan 0.000 0.445 506 V N -0.382 119.530 119.914 -0.003 0.000 2.287 506 V HA -0.261 3.859 4.120 0.000 0.000 0.248 506 V C 2.774 178.867 176.094 -0.001 0.000 1.053 506 V CA 2.375 64.670 62.300 -0.009 0.000 1.027 506 V CB -1.080 30.733 31.823 -0.016 0.000 0.646 506 V HN 0.665 nan 8.190 nan 0.000 0.447 507 S N 0.398 116.100 115.700 0.003 0.000 2.365 507 S HA -0.265 4.205 4.470 0.000 0.000 0.225 507 S C 1.955 176.567 174.600 0.019 0.000 1.039 507 S CA 2.066 60.272 58.200 0.009 0.000 1.033 507 S CB -0.536 62.669 63.200 0.008 0.000 0.887 507 S HN 0.695 nan 8.310 nan 0.000 0.447 508 N N 1.769 120.480 118.700 0.018 0.000 2.104 508 N HA -0.085 4.655 4.740 0.000 0.000 0.190 508 N C 1.964 177.497 175.510 0.038 0.000 1.024 508 N CA 1.389 54.454 53.050 0.025 0.000 0.853 508 N CB -0.911 37.589 38.487 0.021 0.000 1.008 508 N HN 0.531 nan 8.380 nan 0.000 0.424 509 A N 1.257 124.097 122.820 0.033 0.000 1.865 509 A HA -0.111 4.209 4.320 0.000 0.000 0.217 509 A C 2.589 180.219 177.584 0.076 0.000 1.191 509 A CA 1.745 53.808 52.037 0.044 0.000 0.623 509 A CB -0.946 18.059 19.000 0.009 0.000 0.826 509 A HN 0.110 nan 8.150 nan 0.000 0.444 510 V N 0.737 120.682 119.914 0.052 0.000 2.287 510 V HA -0.296 3.824 4.120 0.000 0.000 0.248 510 V C 2.211 178.377 176.094 0.119 0.000 1.053 510 V CA 2.337 64.685 62.300 0.080 0.000 1.027 510 V CB -0.920 30.928 31.823 0.042 0.000 0.646 510 V HN 0.524 nan 8.190 nan 0.000 0.447 511 D N 0.553 121.000 120.400 0.079 0.000 2.097 511 D HA -0.119 4.521 4.640 0.000 0.000 0.195 511 D C 2.222 178.568 176.300 0.078 0.000 0.989 511 D CA 1.798 55.837 54.000 0.066 0.000 0.827 511 D CB -0.401 40.423 40.800 0.040 0.000 0.966 511 D HN 0.493 nan 8.370 nan 0.000 0.456 512 G N 0.582 109.435 108.800 0.088 0.000 2.459 512 G HA2 -0.300 3.660 3.960 0.000 0.000 0.217 512 G HA3 -0.300 3.660 3.960 0.000 0.000 0.217 512 G C 1.501 176.481 174.900 0.132 0.000 1.183 512 G CA 0.407 45.561 45.100 0.089 0.000 0.776 512 G HN 0.188 nan 8.290 nan 0.000 0.552 513 F N 0.996 120.966 119.950 0.033 0.000 2.065 513 F HA -0.087 4.440 4.527 0.000 0.000 0.298 513 F C 2.410 178.250 175.800 0.067 0.000 1.112 513 F CA 1.551 59.590 58.000 0.065 0.000 1.212 513 F CB -0.560 38.467 39.000 0.046 0.000 0.975 513 F HN 0.110 nan 8.300 nan 0.000 0.476 514 L N 0.430 121.718 121.223 0.109 0.000 2.081 514 L HA -0.076 4.264 4.340 0.000 0.000 0.212 514 L C 2.402 179.237 176.870 -0.059 0.000 1.080 514 L CA 2.174 57.018 54.840 0.007 0.000 0.754 514 L CB -1.446 40.652 42.059 0.065 0.000 0.893 514 L HN 0.232 nan 8.230 nan 0.000 0.433 515 G N -1.044 107.733 108.800 -0.039 0.000 2.434 515 G HA2 -0.310 3.650 3.960 0.000 0.000 0.214 515 G HA3 -0.310 3.650 3.960 0.000 0.000 0.214 515 G C 1.750 176.575 174.900 -0.125 0.000 1.202 515 G CA 0.656 45.719 45.100 -0.061 0.000 0.788 515 G HN 0.411 nan 8.290 nan 0.000 0.539 516 R N -0.144 120.258 120.500 -0.163 0.000 2.193 516 R HA 0.148 4.488 4.340 0.000 0.000 0.229 516 R C 2.384 178.439 176.300 -0.409 0.000 1.110 516 R CA 0.703 56.638 56.100 -0.276 0.000 0.988 516 R CB -0.293 29.840 30.300 -0.279 0.000 0.871 516 R HN 0.416 nan 8.270 nan 0.000 0.458 517 L N 0.281 121.297 121.223 -0.345 0.000 2.109 517 L HA -0.091 4.249 4.340 0.000 0.000 0.207 517 L C 2.062 178.839 176.870 -0.155 0.000 1.086 517 L CA 1.542 56.214 54.840 -0.280 0.000 0.760 517 L CB -0.134 41.743 42.059 -0.302 0.000 0.910 517 L HN 0.338 nan 8.230 nan 0.000 0.437 518 S N -1.310 114.317 115.700 -0.122 0.000 2.522 518 S HA -0.009 4.461 4.470 0.000 0.000 0.227 518 S C 1.636 176.186 174.600 -0.084 0.000 0.986 518 S CA 0.284 58.444 58.200 -0.066 0.000 0.929 518 S CB -0.078 63.096 63.200 -0.044 0.000 0.769 518 S HN 0.430 nan 8.310 nan 0.000 0.529 519 L N -0.032 121.111 121.223 -0.134 0.000 2.362 519 L HA 0.325 4.665 4.340 0.000 0.000 0.204 519 L C 2.760 179.540 176.870 -0.150 0.000 1.060 519 L CA 0.764 55.524 54.840 -0.133 0.000 0.827 519 L CB -0.314 41.657 42.059 -0.147 0.000 1.027 519 L HN 0.256 nan 8.230 nan 0.000 0.474 520 E N 0.769 120.833 120.200 -0.227 0.000 2.152 520 E HA -0.097 4.253 4.350 0.000 0.000 0.192 520 E C 1.030 177.561 176.600 -0.115 0.000 0.983 520 E CA 0.712 56.977 56.400 -0.225 0.000 0.818 520 E CB 0.282 29.695 29.700 -0.477 0.000 0.758 520 E HN 0.104 nan 8.360 nan 0.000 0.467 521 R N 0.325 120.775 120.500 -0.083 0.000 2.532 521 R HA 0.299 4.639 4.340 0.000 0.000 0.295 521 R C -0.787 175.514 176.300 0.002 0.000 0.968 521 R CA -0.420 55.680 56.100 0.001 0.000 0.916 521 R CB 0.959 31.300 30.300 0.069 0.000 1.124 521 R HN -0.032 nan 8.270 nan 0.000 0.463 522 E N 1.871 122.076 120.200 0.007 0.000 2.244 522 E HA 0.095 4.445 4.350 0.000 0.000 0.266 522 E C -0.933 175.672 176.600 0.008 0.000 0.914 522 E CA -0.695 55.692 56.400 -0.022 0.000 0.794 522 E CB 1.882 31.529 29.700 -0.088 0.000 1.210 522 E HN 0.578 nan 8.360 nan 0.000 0.414 523 D N 0.751 121.151 120.400 0.001 0.000 2.395 523 D HA -0.011 4.629 4.640 0.000 0.000 0.250 523 D C 0.533 176.895 176.300 0.104 0.000 1.203 523 D CA 0.473 54.491 54.000 0.029 0.000 0.872 523 D CB 0.077 40.899 40.800 0.038 0.000 0.941 523 D HN 0.274 nan 8.370 nan 0.000 0.504 524 R N -1.739 118.719 120.500 -0.071 0.000 2.569 524 R HA 0.209 4.549 4.340 0.000 0.000 0.422 524 R C 0.090 176.134 176.300 -0.427 0.000 0.980 524 R CA -0.326 55.501 56.100 -0.455 0.000 1.164 524 R CB 0.251 29.996 30.300 -0.925 0.000 1.520 524 R HN -0.120 nan 8.270 nan 0.000 0.567 525 D N 1.641 121.973 120.400 -0.113 0.000 2.323 525 D HA 0.055 4.695 4.640 0.000 0.000 0.209 525 D C 1.166 177.496 176.300 0.049 0.000 0.973 525 D CA 0.872 54.849 54.000 -0.039 0.000 0.874 525 D CB 0.655 41.484 40.800 0.048 0.000 0.930 525 D HN 0.419 nan 8.370 nan 0.000 0.521 526 A N -0.389 122.478 122.820 0.078 0.000 2.423 526 A HA 0.104 4.424 4.320 0.000 0.000 0.246 526 A C 0.957 178.486 177.584 -0.092 0.000 1.278 526 A CA -0.474 51.611 52.037 0.079 0.000 0.903 526 A CB -0.506 18.612 19.000 0.197 0.000 0.997 526 A HN 0.069 nan 8.150 nan 0.000 0.510 527 W N -0.536 120.462 121.300 -0.505 0.000 2.595 527 W HA -0.001 4.659 4.660 0.000 0.000 0.257 527 W C 1.837 178.215 176.519 -0.234 0.000 1.267 527 W CA 0.786 57.828 57.345 -0.506 0.000 1.300 527 W CB -0.436 28.751 29.460 -0.455 0.000 1.120 527 W HN 0.507 nan 8.180 nan 0.000 0.618 528 H N -0.474 118.665 119.070 0.114 0.000 2.495 528 H HA 0.122 4.678 4.556 0.000 0.000 0.287 528 H C 0.668 176.044 175.328 0.079 0.000 1.033 528 H CA 0.699 56.796 56.048 0.083 0.000 1.307 528 H CB -0.308 29.488 29.762 0.057 0.000 1.401 528 H HN -0.043 nan 8.280 nan 0.000 0.555 529 L N 2.093 123.436 121.223 0.200 0.000 2.319 529 L HA 0.102 4.442 4.340 0.000 0.000 0.280 529 L C -1.157 175.806 176.870 0.155 0.000 1.099 529 L CA -1.590 53.353 54.840 0.171 0.000 0.828 529 L CB 0.900 43.072 42.059 0.189 0.000 1.150 529 L HN -0.087 nan 8.230 nan 0.000 0.442 530 P HA -0.204 nan 4.420 nan 0.000 0.215 530 P C 1.362 178.712 177.300 0.083 0.000 1.157 530 P CA 1.441 64.596 63.100 0.091 0.000 0.874 530 P CB 0.321 32.063 31.700 0.070 0.000 0.790 531 A N -1.987 120.884 122.820 0.086 0.000 2.067 531 A HA -0.204 4.116 4.320 0.000 0.000 0.219 531 A C 2.118 179.736 177.584 0.057 0.000 1.158 531 A CA 0.942 53.012 52.037 0.055 0.000 0.661 531 A CB -1.796 17.233 19.000 0.047 0.000 0.801 531 A HN 0.136 nan 8.150 nan 0.000 0.452 532 Y N 1.451 121.739 120.300 -0.021 0.000 2.102 532 Y HA -0.315 4.235 4.550 0.000 0.000 0.280 532 Y C 1.943 177.769 175.900 -0.123 0.000 1.178 532 Y CA 2.466 60.525 58.100 -0.068 0.000 1.146 532 Y CB -0.257 38.145 38.460 -0.095 0.000 0.968 532 Y HN 0.366 nan 8.280 nan 0.000 0.504 533 K N -1.124 119.273 120.400 -0.006 0.000 2.520 533 K HA -0.130 4.190 4.320 0.000 0.000 0.197 533 K C 1.322 177.838 176.600 -0.141 0.000 1.043 533 K CA 0.934 57.166 56.287 -0.092 0.000 0.944 533 K CB -0.471 32.006 32.500 -0.038 0.000 0.770 533 K HN 0.323 nan 8.250 nan 0.000 0.480 534 c N 0.586 119.098 118.600 -0.146 0.000 2.855 534 c HA 0.193 4.763 4.570 0.000 0.000 0.279 534 c C 0.404 174.398 174.090 -0.161 0.000 1.270 534 c CA -0.732 55.520 56.329 -0.129 0.000 1.702 534 c CB -0.589 41.870 42.510 -0.086 0.000 1.949 534 c HN 0.015 nan 8.230 nan 0.000 0.618 535 V N 2.008 121.773 119.914 -0.248 0.000 2.328 535 V HA 0.242 4.362 4.120 0.000 0.000 0.278 535 V C 0.210 176.168 176.094 -0.226 0.000 1.021 535 V CA -0.019 62.140 62.300 -0.235 0.000 0.838 535 V CB 1.096 32.744 31.823 -0.291 0.000 0.999 535 V HN 0.238 nan 8.190 nan 0.000 0.447 536 D N 3.084 123.390 120.400 -0.156 0.000 2.087 536 D HA -0.024 4.616 4.640 0.000 0.000 0.203 536 D C 1.193 177.421 176.300 -0.120 0.000 0.976 536 D CA 1.294 55.217 54.000 -0.129 0.000 0.865 536 D CB 0.105 40.846 40.800 -0.098 0.000 1.005 536 D HN 0.406 nan 8.370 nan 0.000 0.449 537 R N 1.947 122.391 120.500 -0.093 0.000 3.268 537 R HA 0.144 4.484 4.340 0.000 0.000 0.217 537 R C 1.309 177.560 176.300 -0.080 0.000 1.568 537 R CA -0.093 55.964 56.100 -0.071 0.000 1.322 537 R CB -0.198 30.076 30.300 -0.042 0.000 1.280 537 R HN 0.324 nan 8.270 nan 0.000 0.667 538 L N -0.652 120.498 121.223 -0.122 0.000 2.362 538 L HA -0.078 4.262 4.340 0.000 0.000 0.219 538 L C 1.455 178.271 176.870 -0.091 0.000 1.134 538 L CA 1.169 55.920 54.840 -0.148 0.000 0.807 538 L CB -0.321 41.590 42.059 -0.246 0.000 0.927 538 L HN 0.291 nan 8.230 nan 0.000 0.447 539 D N 0.806 121.171 120.400 -0.058 0.000 2.264 539 D HA -0.198 4.442 4.640 0.000 0.000 0.208 539 D C 0.988 177.289 176.300 0.001 0.000 0.966 539 D CA 0.921 54.904 54.000 -0.028 0.000 0.864 539 D CB -0.227 40.563 40.800 -0.016 0.000 0.933 539 D HN 0.532 nan 8.370 nan 0.000 0.499 540 K N 0.997 121.401 120.400 0.007 0.000 2.684 540 K HA 0.239 4.559 4.320 0.000 0.000 0.215 540 K C -0.324 176.311 176.600 0.059 0.000 1.073 540 K CA -0.205 56.105 56.287 0.037 0.000 1.197 540 K CB 1.483 34.008 32.500 0.042 0.000 0.955 540 K HN 0.007 nan 8.250 nan 0.000 0.473 541 V N 2.345 122.294 119.914 0.058 0.000 2.383 541 V HA 0.115 4.235 4.120 0.000 0.000 0.275 541 V C 1.415 177.618 176.094 0.180 0.000 1.036 541 V CA -0.247 62.115 62.300 0.104 0.000 0.889 541 V CB 1.166 33.033 31.823 0.075 0.000 0.985 541 V HN 0.303 nan 8.190 nan 0.000 0.459 542 L N 4.482 125.805 121.223 0.167 0.000 2.049 542 L HA 0.214 4.554 4.340 0.000 0.000 0.203 542 L C 0.753 177.745 176.870 0.204 0.000 1.074 542 L CA 1.348 56.286 54.840 0.162 0.000 0.749 542 L CB -0.055 42.062 42.059 0.097 0.000 0.907 542 L HN 0.737 nan 8.230 nan 0.000 0.439 543 M N -0.128 119.587 119.600 0.193 0.000 2.449 543 M HA 0.429 4.909 4.480 0.000 0.000 0.291 543 M C -1.780 174.627 176.300 0.178 0.000 1.148 543 M CA -0.716 54.674 55.300 0.151 0.000 0.925 543 M CB 2.325 34.941 32.600 0.026 0.000 1.767 543 M HN 0.026 nan 8.290 nan 0.000 0.503 544 I N 1.196 121.885 120.570 0.199 0.000 2.377 544 I HA 0.639 4.809 4.170 0.000 0.000 0.293 544 I C -1.222 174.982 176.117 0.146 0.000 0.987 544 I CA -0.943 60.479 61.300 0.204 0.000 1.185 544 I CB 1.679 39.837 38.000 0.264 0.000 1.341 544 I HN 0.762 nan 8.210 nan 0.000 0.455 545 I N 6.485 127.157 120.570 0.170 0.000 2.388 545 I HA 0.364 4.534 4.170 0.000 0.000 0.281 545 I C -2.429 173.771 176.117 0.138 0.000 1.046 545 I CA -1.892 59.489 61.300 0.135 0.000 1.187 545 I CB 1.165 39.259 38.000 0.157 0.000 1.351 545 I HN 0.303 nan 8.210 nan 0.000 0.472 546 P HA 0.155 nan 4.420 nan 0.000 0.269 546 P C -0.520 176.773 177.300 -0.011 0.000 1.252 546 P CA -0.065 63.064 63.100 0.048 0.000 0.780 546 P CB 0.628 32.353 31.700 0.041 0.000 0.829 547 L N 3.700 124.959 121.223 0.061 0.000 2.492 547 L HA 0.391 4.731 4.340 0.000 0.000 0.263 547 L C 1.758 178.688 176.870 0.101 0.000 1.062 547 L CA -0.538 54.352 54.840 0.084 0.000 0.817 547 L CB 0.115 42.322 42.059 0.246 0.000 1.441 547 L HN 0.261 nan 8.230 nan 0.000 0.493 548 I N 0.106 120.782 120.570 0.177 0.000 2.094 548 I HA -0.205 3.965 4.170 0.000 0.000 0.234 548 I C 1.284 177.477 176.117 0.127 0.000 1.063 548 I CA 1.258 62.658 61.300 0.166 0.000 1.328 548 I CB -0.232 37.897 38.000 0.215 0.000 1.058 548 I HN 0.610 nan 8.210 nan 0.000 0.400 549 N N 0.098 118.881 118.700 0.137 0.000 2.299 549 N HA 0.102 4.842 4.740 0.000 0.000 0.187 549 N C -0.053 175.492 175.510 0.059 0.000 1.099 549 N CA 0.393 53.501 53.050 0.097 0.000 0.867 549 N CB 1.033 39.584 38.487 0.108 0.000 0.974 549 N HN 0.307 nan 8.380 nan 0.000 0.477 550 V N -3.028 116.918 119.914 0.054 0.000 3.112 550 V HA 0.745 4.865 4.120 0.000 0.000 0.310 550 V C -0.948 175.130 176.094 -0.026 0.000 1.364 550 V CA -0.832 61.448 62.300 -0.034 0.000 1.058 550 V CB 1.616 33.351 31.823 -0.145 0.000 1.079 550 V HN 0.064 nan 8.190 nan 0.000 0.463 551 T N -1.253 113.228 114.554 -0.121 0.000 3.143 551 T HA 0.672 5.022 4.350 0.000 0.000 0.312 551 T C -1.163 173.471 174.700 -0.110 0.000 0.986 551 T CA -0.048 62.035 62.100 -0.028 0.000 1.024 551 T CB 0.663 69.547 68.868 0.026 0.000 1.030 551 T HN 0.620 nan 8.240 nan 0.000 0.448 552 F N 2.287 122.278 119.950 0.068 0.000 2.396 552 F HA 0.601 5.128 4.527 0.000 0.000 0.343 552 F C 0.633 176.482 175.800 0.081 0.000 1.104 552 F CA -1.087 56.959 58.000 0.076 0.000 1.161 552 F CB 1.031 40.075 39.000 0.074 0.000 1.146 552 F HN 0.478 nan 8.300 nan 0.000 0.522 553 I N 5.267 125.987 120.570 0.249 0.000 2.437 553 I HA 0.252 4.422 4.170 0.000 0.000 0.279 553 I C -0.963 175.272 176.117 0.197 0.000 1.028 553 I CA -0.576 60.834 61.300 0.185 0.000 1.142 553 I CB 0.968 39.030 38.000 0.103 0.000 1.266 553 I HN 0.318 nan 8.210 nan 0.000 0.461 554 I N 6.211 126.893 120.570 0.187 0.000 2.352 554 I HA 0.284 4.454 4.170 0.000 0.000 0.290 554 I C 0.560 176.764 176.117 0.145 0.000 1.036 554 I CA 0.650 62.044 61.300 0.158 0.000 1.336 554 I CB 1.042 39.109 38.000 0.113 0.000 1.407 554 I HN 0.630 nan 8.210 nan 0.000 0.497 555 S N 2.494 118.289 115.700 0.159 0.000 2.656 555 S HA 0.484 4.954 4.470 0.000 0.000 0.273 555 S C 0.060 174.773 174.600 0.188 0.000 1.168 555 S CA -0.257 58.034 58.200 0.150 0.000 0.817 555 S CB 1.357 64.636 63.200 0.132 0.000 1.146 555 S HN 0.477 nan 8.310 nan 0.000 0.475 556 S N -0.105 115.691 115.700 0.160 0.000 2.583 556 S HA 0.321 4.791 4.470 0.000 0.000 0.239 556 S C -0.350 174.437 174.600 0.312 0.000 0.966 556 S CA -0.297 58.000 58.200 0.162 0.000 0.973 556 S CB -0.966 62.274 63.200 0.068 0.000 0.794 556 S HN 0.855 nan 8.310 nan 0.000 0.463 557 D N 0.696 121.312 120.400 0.361 0.000 2.934 557 D HA 0.167 4.807 4.640 0.000 0.000 0.230 557 D C 0.095 176.348 176.300 -0.079 0.000 1.204 557 D CA -0.846 53.264 54.000 0.183 0.000 0.873 557 D CB 1.265 42.099 40.800 0.057 0.000 1.645 557 D HN 0.302 nan 8.370 nan 0.000 0.502 558 R N 0.699 120.926 120.500 -0.455 0.000 2.555 558 R HA 0.166 4.506 4.340 0.000 0.000 0.272 558 R C 0.020 176.128 176.300 -0.321 0.000 1.089 558 R CA -0.301 55.378 56.100 -0.701 0.000 1.126 558 R CB 0.068 29.773 30.300 -0.991 0.000 1.250 558 R HN 0.233 nan 8.270 nan 0.000 0.551 559 E N 0.920 121.006 120.200 -0.190 0.000 2.318 559 E HA 0.027 4.377 4.350 0.000 0.000 0.193 559 E C 0.530 177.059 176.600 -0.119 0.000 0.998 559 E CA 0.234 56.555 56.400 -0.132 0.000 0.859 559 E CB 0.202 29.846 29.700 -0.094 0.000 0.812 559 E HN 0.132 nan 8.360 nan 0.000 0.492 560 V N 3.530 123.378 119.914 -0.110 0.000 2.644 560 V HA -0.131 3.989 4.120 0.000 0.000 0.305 560 V C 1.105 177.142 176.094 -0.096 0.000 1.053 560 V CA 0.586 62.831 62.300 -0.093 0.000 1.186 560 V CB -0.076 31.712 31.823 -0.059 0.000 0.895 560 V HN 0.253 nan 8.190 nan 0.000 0.490 561 R N 3.574 124.021 120.500 -0.089 0.000 4.306 561 R HA 0.449 4.789 4.340 0.000 0.000 0.266 561 R C 0.686 176.942 176.300 -0.073 0.000 1.624 561 R CA 0.023 56.074 56.100 -0.082 0.000 1.487 561 R CB 0.056 30.310 30.300 -0.078 0.000 1.441 561 R HN 0.693 nan 8.270 nan 0.000 0.750 562 G N 0.455 109.212 108.800 -0.072 0.000 3.048 562 G HA2 -0.012 3.948 3.960 0.000 0.000 0.151 562 G HA3 -0.012 3.948 3.960 0.000 0.000 0.151 562 G C 0.436 175.296 174.900 -0.068 0.000 1.803 562 G CA -0.256 44.802 45.100 -0.069 0.000 1.047 562 G HN 0.313 nan 8.290 nan 0.000 0.513 563 S N -0.688 114.971 115.700 -0.069 0.000 2.539 563 S HA 0.613 5.083 4.470 0.000 0.000 0.226 563 S C 0.528 175.086 174.600 -0.070 0.000 1.054 563 S CA 0.486 58.649 58.200 -0.062 0.000 0.910 563 S CB 0.674 63.841 63.200 -0.055 0.000 0.818 563 S HN 0.997 nan 8.310 nan 0.000 0.490 564 A N 0.661 123.433 122.820 -0.079 0.000 2.602 564 A HA 0.787 5.107 4.320 0.000 0.000 0.290 564 A C -2.255 175.247 177.584 -0.135 0.000 1.114 564 A CA -0.562 51.395 52.037 -0.133 0.000 0.683 564 A CB 1.001 19.890 19.000 -0.185 0.000 1.281 564 A HN 0.180 nan 8.150 nan 0.000 0.416 565 L N 0.465 121.562 121.223 -0.210 0.000 2.356 565 L HA 0.778 5.118 4.340 0.000 0.000 0.277 565 L C -1.853 174.920 176.870 -0.161 0.000 0.996 565 L CA -0.249 54.512 54.840 -0.131 0.000 0.822 565 L CB 1.260 43.226 42.059 -0.155 0.000 1.256 565 L HN 0.632 nan 8.230 nan 0.000 0.413 566 Y N 2.677 123.068 120.300 0.151 0.000 2.468 566 Y HA 0.649 5.199 4.550 0.000 0.000 0.342 566 Y C -0.289 175.755 175.900 0.241 0.000 1.021 566 Y CA -0.627 57.572 58.100 0.164 0.000 1.079 566 Y CB 1.983 40.529 38.460 0.144 0.000 1.226 566 Y HN 0.596 nan 8.280 nan 0.000 0.460 567 E N 1.707 122.116 120.200 0.350 0.000 2.278 567 E HA 0.728 5.078 4.350 0.000 0.000 0.272 567 E C -1.416 175.206 176.600 0.038 0.000 0.890 567 E CA -0.836 55.659 56.400 0.157 0.000 0.770 567 E CB 1.322 31.127 29.700 0.175 0.000 1.212 567 E HN 0.783 nan 8.360 nan 0.000 0.415 568 A N 2.273 125.031 122.820 -0.103 0.000 2.346 568 A HA 0.227 4.547 4.320 0.000 0.000 0.252 568 A C 1.061 178.608 177.584 -0.062 0.000 1.089 568 A CA 0.372 52.336 52.037 -0.122 0.000 0.797 568 A CB 0.468 19.220 19.000 -0.413 0.000 1.047 568 A HN 0.809 nan 8.150 nan 0.000 0.494 569 S N -0.010 115.693 115.700 0.006 0.000 2.453 569 S HA -0.031 4.439 4.470 0.000 0.000 0.231 569 S C 1.077 175.721 174.600 0.075 0.000 1.005 569 S CA 1.057 59.276 58.200 0.032 0.000 0.949 569 S CB -0.644 62.571 63.200 0.026 0.000 0.774 569 S HN 0.934 nan 8.310 nan 0.000 0.510 570 T N 2.795 117.426 114.554 0.128 0.000 2.901 570 T HA 0.321 4.671 4.350 0.000 0.000 0.301 570 T C 0.858 175.602 174.700 0.073 0.000 1.012 570 T CA 0.606 62.828 62.100 0.202 0.000 1.135 570 T CB 0.671 69.728 68.868 0.316 0.000 0.936 570 T HN 0.479 nan 8.240 nan 0.000 0.539 571 T N 2.018 116.622 114.554 0.084 0.000 3.144 571 T HA 0.179 4.529 4.350 0.000 0.000 0.290 571 T C 1.194 175.880 174.700 -0.023 0.000 0.966 571 T CA -0.365 61.724 62.100 -0.020 0.000 0.907 571 T CB -0.464 68.364 68.868 -0.068 0.000 1.152 571 T HN 0.622 nan 8.240 nan 0.000 0.532 572 Y N 1.983 122.285 120.300 0.004 0.000 2.207 572 Y HA 0.123 4.673 4.550 0.000 0.000 0.287 572 Y C 1.127 177.020 175.900 -0.012 0.000 1.156 572 Y CA 0.502 58.605 58.100 0.005 0.000 1.182 572 Y CB -0.538 37.933 38.460 0.019 0.000 0.979 572 Y HN 0.219 nan 8.280 nan 0.000 0.521 573 L N -0.857 120.445 121.223 0.132 0.000 2.473 573 L HA -0.052 4.288 4.340 0.000 0.000 0.265 573 L C 1.681 178.561 176.870 0.017 0.000 1.243 573 L CA 0.542 55.415 54.840 0.055 0.000 0.822 573 L CB -0.004 42.063 42.059 0.013 0.000 1.101 573 L HN -0.082 nan 8.230 nan 0.000 0.507 574 S N -0.976 114.730 115.700 0.010 0.000 2.351 574 S HA -0.123 4.347 4.470 0.000 0.000 0.220 574 S C 0.926 175.520 174.600 -0.010 0.000 1.035 574 S CA 1.540 59.742 58.200 0.002 0.000 1.031 574 S CB -0.181 63.023 63.200 0.008 0.000 0.928 574 S HN 0.679 nan 8.310 nan 0.000 0.433 575 S N 0.242 115.932 115.700 -0.017 0.000 2.618 575 S HA 0.565 5.036 4.470 0.000 0.000 0.284 575 S C 0.224 174.765 174.600 -0.097 0.000 1.102 575 S CA -0.819 57.363 58.200 -0.031 0.000 0.984 575 S CB 1.098 64.298 63.200 -0.000 0.000 1.280 575 S HN 0.305 nan 8.310 nan 0.000 0.525 576 S N 0.521 116.112 115.700 -0.182 0.000 2.713 576 S HA 0.581 5.051 4.470 0.000 0.000 0.283 576 S C -1.048 173.252 174.600 -0.501 0.000 1.161 576 S CA -0.518 57.430 58.200 -0.420 0.000 0.999 576 S CB 0.842 63.591 63.200 -0.751 0.000 1.039 576 S HN 0.408 nan 8.310 nan 0.000 0.548 577 L N 2.600 123.481 121.223 -0.571 0.000 2.313 577 L HA 0.543 4.883 4.340 0.000 0.000 0.273 577 L C -1.684 174.937 176.870 -0.416 0.000 1.028 577 L CA -0.112 54.482 54.840 -0.410 0.000 0.871 577 L CB -0.564 41.262 42.059 -0.389 0.000 1.242 577 L HN 0.402 nan 8.230 nan 0.000 0.434 578 F N 4.465 124.409 119.950 -0.010 0.000 2.403 578 F HA 0.607 5.134 4.527 0.000 0.000 0.326 578 F C -0.114 175.729 175.800 0.072 0.000 1.081 578 F CA -0.692 57.328 58.000 0.034 0.000 1.041 578 F CB 1.323 40.343 39.000 0.032 0.000 1.234 578 F HN 0.136 nan 8.300 nan 0.000 0.503 579 L N 1.734 123.183 121.223 0.377 0.000 2.427 579 L HA 0.345 4.685 4.340 0.000 0.000 0.264 579 L C -0.795 176.292 176.870 0.362 0.000 0.989 579 L CA -0.141 54.904 54.840 0.343 0.000 0.865 579 L CB 1.464 43.717 42.059 0.324 0.000 1.209 579 L HN 0.464 nan 8.230 nan 0.000 0.430 580 S N 4.757 120.612 115.700 0.258 0.000 2.420 580 S HA 0.480 4.950 4.470 0.000 0.000 0.313 580 S C -2.487 172.157 174.600 0.074 0.000 1.079 580 S CA -1.051 57.232 58.200 0.139 0.000 1.104 580 S CB 1.062 64.293 63.200 0.050 0.000 0.969 580 S HN 0.287 nan 8.310 nan 0.000 0.471 581 P HA 0.320 nan 4.420 nan 0.000 0.301 581 P C -0.985 176.168 177.300 -0.246 0.000 1.338 581 P CA -0.593 62.275 63.100 -0.386 0.000 0.834 581 P CB 1.317 32.669 31.700 -0.578 0.000 0.967 582 V N 6.436 126.210 119.914 -0.234 0.000 2.304 582 V HA 0.186 4.306 4.120 0.000 0.000 0.262 582 V C 1.096 177.112 176.094 -0.130 0.000 1.061 582 V CA -0.666 61.554 62.300 -0.133 0.000 0.872 582 V CB 0.485 32.260 31.823 -0.080 0.000 1.077 582 V HN 0.564 nan 8.190 nan 0.000 0.480 583 I N 5.817 126.324 120.570 -0.105 0.000 2.648 583 I HA 0.118 4.288 4.170 0.000 0.000 0.284 583 I C 1.009 177.106 176.117 -0.033 0.000 1.153 583 I CA -0.079 61.180 61.300 -0.069 0.000 1.426 583 I CB 0.514 38.489 38.000 -0.043 0.000 1.381 583 I HN 0.775 nan 8.210 nan 0.000 0.571 584 M N 6.014 125.606 119.600 -0.013 0.000 2.503 584 M HA -0.331 4.149 4.480 0.000 0.000 0.199 584 M C 0.604 176.906 176.300 0.004 0.000 0.466 584 M CA 1.055 56.358 55.300 0.006 0.000 0.510 584 M CB -2.180 30.426 32.600 0.009 0.000 1.858 584 M HN 0.882 nan 8.290 nan 0.000 0.799 585 N N -0.756 117.941 118.700 -0.004 0.000 2.644 585 N HA -0.261 4.479 4.740 0.000 0.000 0.248 585 N C -0.356 175.155 175.510 0.001 0.000 1.150 585 N CA 1.507 54.559 53.050 0.002 0.000 0.727 585 N CB -0.643 37.859 38.487 0.024 0.000 1.091 585 N HN 0.813 nan 8.380 nan 0.000 0.556 586 K N -0.315 120.079 120.400 -0.010 0.000 2.426 586 K HA 0.600 4.920 4.320 0.000 0.000 0.254 586 K C -0.244 176.342 176.600 -0.024 0.000 0.936 586 K CA -0.981 55.300 56.287 -0.011 0.000 0.801 586 K CB 1.280 33.777 32.500 -0.005 0.000 1.139 586 K HN 0.142 nan 8.250 nan 0.000 0.424 587 c N 0.789 119.371 118.600 -0.029 0.000 2.364 587 c HA 0.738 5.308 4.570 0.000 0.000 0.356 587 c C 0.616 174.684 174.090 -0.038 0.000 1.201 587 c CA -0.839 55.466 56.329 -0.040 0.000 2.227 587 c CB 0.621 43.101 42.510 -0.050 0.000 2.387 587 c HN 0.910 nan 8.230 nan 0.000 0.546 588 S N 1.594 117.269 115.700 -0.042 0.000 2.672 588 S HA 0.447 4.917 4.470 0.000 0.000 0.276 588 S C -0.412 174.162 174.600 -0.044 0.000 1.207 588 S CA -0.612 57.565 58.200 -0.039 0.000 1.002 588 S CB 0.556 63.733 63.200 -0.039 0.000 0.998 588 S HN 0.928 nan 8.310 nan 0.000 0.542 589 Q N 0.712 120.489 119.800 -0.040 0.000 2.286 589 Q HA 0.504 4.844 4.340 0.000 0.000 0.267 589 Q C 0.535 176.506 176.000 -0.047 0.000 1.028 589 Q CA -0.292 55.486 55.803 -0.042 0.000 0.901 589 Q CB -0.157 28.560 28.738 -0.035 0.000 1.183 589 Q HN 1.455 nan 8.270 nan 0.000 0.392 590 G N 1.087 109.855 108.800 -0.054 0.000 2.705 590 G HA2 0.078 4.038 3.960 0.000 0.000 0.686 590 G HA3 0.078 4.038 3.960 0.000 0.000 0.686 590 G C -0.455 174.404 174.900 -0.068 0.000 1.285 590 G CA -0.539 44.526 45.100 -0.059 0.000 0.800 590 G HN 1.066 nan 8.290 nan 0.000 0.611 591 A N 0.672 123.445 122.820 -0.079 0.000 2.267 591 A HA 0.833 5.153 4.320 0.000 0.000 0.271 591 A C 1.188 178.716 177.584 -0.093 0.000 1.131 591 A CA 0.323 52.303 52.037 -0.096 0.000 0.818 591 A CB 0.360 19.290 19.000 -0.118 0.000 1.118 591 A HN 2.081 nan 8.150 nan 0.000 0.501 592 V N 0.046 119.895 119.914 -0.109 0.000 3.287 592 V HA 0.362 4.483 4.120 0.000 0.000 0.306 592 V C 1.335 177.373 176.094 -0.093 0.000 1.103 592 V CA -0.033 62.206 62.300 -0.102 0.000 1.159 592 V CB 0.030 31.780 31.823 -0.121 0.000 1.036 592 V HN 1.173 nan 8.190 nan 0.000 0.487 593 A N 2.172 124.945 122.820 -0.077 0.000 2.364 593 A HA 0.533 4.853 4.320 0.000 0.000 0.258 593 A C 1.027 178.571 177.584 -0.066 0.000 1.131 593 A CA 0.284 52.283 52.037 -0.063 0.000 0.800 593 A CB -0.596 18.373 19.000 -0.051 0.000 1.086 593 A HN 1.328 nan 8.150 nan 0.000 0.508 594 G N -1.801 106.969 108.800 -0.050 0.000 2.664 594 G HA2 0.429 4.389 3.960 0.000 0.000 0.242 594 G HA3 0.429 4.389 3.960 0.000 0.000 0.242 594 G C -0.081 174.798 174.900 -0.035 0.000 1.225 594 G CA 0.843 45.918 45.100 -0.042 0.000 0.849 594 G HN 1.331 nan 8.290 nan 0.000 0.581 595 E N -0.556 119.632 120.200 -0.020 0.000 6.993 595 E HA -0.125 4.225 4.350 0.000 0.000 0.276 595 E C -2.323 174.271 176.600 -0.011 0.000 1.113 595 E CA 0.135 56.533 56.400 -0.002 0.000 1.400 595 E CB -0.696 29.002 29.700 -0.004 0.000 0.936 595 E HN 0.399 nan 8.360 nan 0.000 0.285 596 P HA 0.190 nan 4.420 nan 0.000 0.274 596 P C -0.520 176.780 177.300 0.000 0.000 1.237 596 P CA -0.401 62.709 63.100 0.017 0.000 0.793 596 P CB 0.557 32.348 31.700 0.151 0.000 0.977 597 R N 1.695 122.148 120.500 -0.078 0.000 2.340 597 R HA 0.134 4.474 4.340 0.000 0.000 0.300 597 R C -0.057 176.295 176.300 0.086 0.000 1.069 597 R CA -0.195 55.855 56.100 -0.084 0.000 0.984 597 R CB 0.345 30.447 30.300 -0.331 0.000 1.003 597 R HN 0.503 nan 8.270 nan 0.000 0.459 598 Q N 3.888 123.763 119.800 0.126 0.000 2.293 598 Q HA 0.207 4.547 4.340 0.000 0.000 0.251 598 Q C -0.179 175.962 176.000 0.235 0.000 0.930 598 Q CA -0.319 55.583 55.803 0.165 0.000 0.893 598 Q CB 1.480 30.274 28.738 0.092 0.000 1.215 598 Q HN 0.536 nan 8.270 nan 0.000 0.425 599 I N 5.079 125.767 120.570 0.197 0.000 2.494 599 I HA 0.068 4.238 4.170 0.000 0.000 0.289 599 I C -1.667 174.483 176.117 0.054 0.000 1.106 599 I CA -1.568 59.794 61.300 0.102 0.000 1.369 599 I CB -0.061 37.950 38.000 0.018 0.000 1.410 599 I HN 0.345 nan 8.210 nan 0.000 0.523 600 P HA 0.143 nan 4.420 nan 0.000 0.275 600 P C -1.054 176.241 177.300 -0.009 0.000 1.227 600 P CA -0.414 62.700 63.100 0.024 0.000 0.781 600 P CB 0.770 32.491 31.700 0.035 0.000 0.906 601 K N 2.962 123.348 120.400 -0.024 0.000 2.172 601 K HA 0.562 4.882 4.320 0.000 0.000 0.276 601 K C 0.011 176.564 176.600 -0.077 0.000 1.013 601 K CA -0.614 55.646 56.287 -0.045 0.000 0.913 601 K CB 1.123 33.597 32.500 -0.043 0.000 1.055 601 K HN 0.460 nan 8.250 nan 0.000 0.461 602 I N 2.045 122.552 120.570 -0.106 0.000 2.545 602 I HA 0.149 4.319 4.170 0.000 0.000 0.292 602 I C 0.320 176.302 176.117 -0.226 0.000 1.040 602 I CA -0.482 60.711 61.300 -0.178 0.000 1.068 602 I CB 2.113 39.981 38.000 -0.220 0.000 1.251 602 I HN 0.615 nan 8.210 nan 0.000 0.424 603 Q N 2.610 122.260 119.800 -0.251 0.000 2.103 603 Q HA 0.201 4.541 4.340 0.000 0.000 0.219 603 Q C 0.955 176.814 176.000 -0.236 0.000 0.784 603 Q CA -0.241 55.411 55.803 -0.252 0.000 1.014 603 Q CB 0.768 29.383 28.738 -0.205 0.000 1.183 603 Q HN 0.584 nan 8.270 nan 0.000 0.469 604 N N 0.957 119.460 118.700 -0.329 0.000 2.022 604 N HA -0.077 4.663 4.740 0.000 0.000 0.194 604 N C 0.216 175.616 175.510 -0.183 0.000 1.057 604 N CA 1.037 53.899 53.050 -0.314 0.000 0.849 604 N CB -0.181 38.024 38.487 -0.469 0.000 1.044 604 N HN 0.074 nan 8.380 nan 0.000 0.424 605 F N 1.516 121.475 119.950 0.016 0.000 2.623 605 F HA -0.062 4.465 4.527 0.000 0.000 0.381 605 F C 1.443 177.245 175.800 0.004 0.000 1.081 605 F CA -0.204 57.825 58.000 0.049 0.000 1.293 605 F CB -0.633 38.478 39.000 0.185 0.000 1.006 605 F HN -0.028 nan 8.300 nan 0.000 0.578 606 T N 1.029 115.705 114.554 0.204 0.000 2.929 606 T HA 0.483 4.833 4.350 0.000 0.000 0.284 606 T C 1.175 175.930 174.700 0.091 0.000 1.014 606 T CA -1.068 61.090 62.100 0.098 0.000 1.051 606 T CB 1.747 70.650 68.868 0.058 0.000 1.028 606 T HN 0.543 nan 8.240 nan 0.000 0.485 607 R N 0.890 121.429 120.500 0.066 0.000 2.109 607 R HA -0.033 4.307 4.340 0.000 0.000 0.227 607 R C 0.736 177.062 176.300 0.043 0.000 1.132 607 R CA 1.239 57.379 56.100 0.066 0.000 0.907 607 R CB -1.395 28.943 30.300 0.064 0.000 0.825 607 R HN 0.673 nan 8.270 nan 0.000 0.432 608 T N 2.715 117.284 114.554 0.026 0.000 2.871 608 T HA 0.018 4.368 4.350 0.000 0.000 0.296 608 T C 0.122 174.810 174.700 -0.019 0.000 0.998 608 T CA 0.396 62.498 62.100 0.003 0.000 1.162 608 T CB 0.608 69.476 68.868 0.001 0.000 0.947 608 T HN 0.092 nan 8.240 nan 0.000 0.536 609 Q N 2.071 121.842 119.800 -0.047 0.000 2.304 609 Q HA 0.311 4.651 4.340 0.000 0.000 0.270 609 Q C 0.670 176.615 176.000 -0.092 0.000 1.035 609 Q CA -0.649 55.099 55.803 -0.092 0.000 0.781 609 Q CB 2.448 31.086 28.738 -0.167 0.000 1.261 609 Q HN 0.661 nan 8.270 nan 0.000 0.444 610 K N 1.150 121.498 120.400 -0.088 0.000 1.967 610 K HA -0.017 4.303 4.320 0.000 0.000 0.212 610 K C 0.826 177.367 176.600 -0.099 0.000 1.044 610 K CA 1.252 57.492 56.287 -0.077 0.000 0.942 610 K CB 0.111 32.574 32.500 -0.062 0.000 0.726 610 K HN 0.696 nan 8.250 nan 0.000 0.440 611 S N -0.604 115.024 115.700 -0.120 0.000 2.694 611 S HA 0.109 4.579 4.470 0.000 0.000 0.278 611 S C 0.074 174.557 174.600 -0.196 0.000 1.152 611 S CA -0.988 57.130 58.200 -0.137 0.000 1.010 611 S CB 1.353 64.479 63.200 -0.123 0.000 1.104 611 S HN 0.386 nan 8.310 nan 0.000 0.547 612 C N 2.062 121.240 119.300 -0.203 0.000 2.262 612 C HA 0.440 4.900 4.460 0.000 0.000 0.413 612 C C 1.628 176.407 174.990 -0.351 0.000 1.019 612 C CA -0.868 57.996 59.018 -0.258 0.000 1.320 612 C CB -2.909 24.704 27.740 -0.211 0.000 1.657 612 C HN 0.758 nan 8.230 nan 0.000 0.510 613 I N 2.758 123.029 120.570 -0.498 0.000 2.072 613 I HA -0.069 4.101 4.170 0.000 0.000 0.235 613 I C 0.759 176.502 176.117 -0.622 0.000 1.058 613 I CA 1.503 62.430 61.300 -0.622 0.000 1.320 613 I CB -0.464 36.919 38.000 -1.028 0.000 1.047 613 I HN 0.413 nan 8.210 nan 0.000 0.397 614 F N 0.881 120.640 119.950 -0.318 0.000 2.659 614 F HA 0.164 4.691 4.527 0.000 0.000 0.360 614 F C 1.147 176.687 175.800 -0.434 0.000 1.218 614 F CA -0.745 57.061 58.000 -0.323 0.000 1.317 614 F CB -1.102 37.913 39.000 0.026 0.000 1.697 614 F HN 0.112 nan 8.300 nan 0.000 0.637 615 C N 0.716 119.673 119.300 -0.572 0.000 4.332 615 C HA 0.181 4.641 4.460 0.000 0.000 0.287 615 C C 2.838 177.630 174.990 -0.331 0.000 1.377 615 C CA 1.227 60.011 59.018 -0.392 0.000 1.723 615 C CB -0.789 26.744 27.740 -0.345 0.000 2.124 615 C HN 0.824 nan 8.230 nan 0.000 0.554 616 G N 0.191 108.818 108.800 -0.288 0.000 2.916 616 G HA2 0.116 4.076 3.960 0.000 0.000 0.205 616 G HA3 0.116 4.076 3.960 0.000 0.000 0.205 616 G C 0.326 175.507 174.900 0.469 0.000 1.163 616 G CA 0.248 45.395 45.100 0.079 0.000 0.821 616 G HN 0.297 nan 8.290 nan 0.000 0.515 617 F N 0.247 120.310 119.950 0.188 0.000 2.321 617 F HA 0.792 5.319 4.527 0.000 0.000 0.318 617 F C 0.530 176.495 175.800 0.275 0.000 1.129 617 F CA -2.266 55.873 58.000 0.231 0.000 1.074 617 F CB 0.944 40.050 39.000 0.177 0.000 1.432 617 F HN 0.064 nan 8.300 nan 0.000 0.502 618 A N 0.473 123.541 122.820 0.414 0.000 2.515 618 A HA 0.745 5.065 4.320 0.000 0.000 0.298 618 A C -1.590 176.081 177.584 0.145 0.000 1.059 618 A CA -0.632 51.588 52.037 0.306 0.000 0.698 618 A CB 1.365 20.539 19.000 0.289 0.000 1.289 618 A HN 0.639 nan 8.150 nan 0.000 0.404 619 L N 1.312 122.627 121.223 0.153 0.000 2.325 619 L HA 0.685 5.025 4.340 0.000 0.000 0.278 619 L C -1.127 175.834 176.870 0.151 0.000 1.023 619 L CA -0.899 54.033 54.840 0.154 0.000 0.811 619 L CB 1.768 43.957 42.059 0.216 0.000 1.249 619 L HN 0.629 nan 8.230 nan 0.000 0.431 620 L N 2.938 124.240 121.223 0.133 0.000 2.446 620 L HA 0.406 4.746 4.340 0.000 0.000 0.268 620 L C -0.330 176.600 176.870 0.099 0.000 0.975 620 L CA -0.063 54.840 54.840 0.104 0.000 0.848 620 L CB 1.837 43.927 42.059 0.052 0.000 1.225 620 L HN 0.611 nan 8.230 nan 0.000 0.410 621 S N 3.628 119.335 115.700 0.012 0.000 2.489 621 S HA 0.802 5.272 4.470 0.000 0.000 0.291 621 S C -0.761 173.766 174.600 -0.122 0.000 1.151 621 S CA -0.520 57.544 58.200 -0.227 0.000 1.082 621 S CB 1.224 64.114 63.200 -0.516 0.000 1.019 621 S HN 0.556 nan 8.310 nan 0.000 0.492 622 Y N -0.638 119.546 120.300 -0.193 0.000 2.512 622 Y HA 0.743 5.293 4.550 0.000 0.000 0.348 622 Y C -0.879 174.928 175.900 -0.156 0.000 0.990 622 Y CA -1.373 56.650 58.100 -0.129 0.000 1.033 622 Y CB 0.821 39.249 38.460 -0.052 0.000 1.259 622 Y HN 0.627 nan 8.280 nan 0.000 0.461 623 D N 1.935 122.327 120.400 -0.013 0.000 2.210 623 D HA 0.170 4.810 4.640 0.000 0.000 0.249 623 D C 0.769 177.095 176.300 0.043 0.000 1.078 623 D CA -0.185 53.747 54.000 -0.115 0.000 0.875 623 D CB 1.470 42.185 40.800 -0.141 0.000 1.175 623 D HN 0.822 nan 8.370 nan 0.000 0.440 624 E N 1.819 121.988 120.200 -0.052 0.000 2.058 624 E HA -0.220 4.130 4.350 0.000 0.000 0.194 624 E C 1.251 177.775 176.600 -0.126 0.000 0.997 624 E CA 1.361 57.775 56.400 0.023 0.000 0.801 624 E CB 0.284 29.932 29.700 -0.087 0.000 0.746 624 E HN 0.428 nan 8.360 nan 0.000 0.450 625 K N 0.186 120.387 120.400 -0.332 0.000 2.005 625 K HA -0.035 4.285 4.320 0.000 0.000 0.206 625 K C 1.029 177.577 176.600 -0.086 0.000 1.044 625 K CA 0.722 56.838 56.287 -0.285 0.000 0.942 625 K CB 0.008 32.269 32.500 -0.398 0.000 0.727 625 K HN -0.047 nan 8.250 nan 0.000 0.439 626 E N -0.373 119.768 120.200 -0.099 0.000 2.622 626 E HA 0.152 4.502 4.350 0.000 0.000 0.255 626 E C 0.646 177.245 176.600 -0.002 0.000 1.313 626 E CA 0.008 56.380 56.400 -0.047 0.000 1.011 626 E CB 0.292 29.951 29.700 -0.069 0.000 1.173 626 E HN 0.245 nan 8.360 nan 0.000 0.601 627 G N -0.342 108.459 108.800 0.002 0.000 2.711 627 G HA2 0.167 4.127 3.960 0.000 0.000 0.186 627 G HA3 0.167 4.127 3.960 0.000 0.000 0.186 627 G C -0.471 174.453 174.900 0.040 0.000 1.635 627 G CA -0.498 44.612 45.100 0.017 0.000 1.065 627 G HN 0.307 nan 8.290 nan 0.000 0.545 628 L N 0.747 121.991 121.223 0.034 0.000 2.305 628 L HA 0.277 4.617 4.340 0.000 0.000 0.281 628 L C 1.187 178.061 176.870 0.008 0.000 1.085 628 L CA -0.681 54.189 54.840 0.049 0.000 0.813 628 L CB 1.427 43.511 42.059 0.042 0.000 1.157 628 L HN 0.477 nan 8.230 nan 0.000 0.436 629 E N 1.834 122.025 120.200 -0.016 0.000 2.025 629 E HA 0.043 4.393 4.350 0.000 0.000 0.198 629 E C 0.543 177.116 176.600 -0.045 0.000 0.955 629 E CA 0.941 57.302 56.400 -0.065 0.000 0.862 629 E CB 0.122 29.740 29.700 -0.138 0.000 0.837 629 E HN 0.723 nan 8.360 nan 0.000 0.488 630 T N -1.671 112.859 114.554 -0.040 0.000 2.907 630 T HA 0.521 4.871 4.350 0.000 0.000 0.292 630 T C -0.317 174.428 174.700 0.076 0.000 1.043 630 T CA -0.766 61.346 62.100 0.020 0.000 1.003 630 T CB 2.281 71.178 68.868 0.047 0.000 1.084 630 T HN 0.036 nan 8.240 nan 0.000 0.483 631 T N 1.044 115.654 114.554 0.093 0.000 2.887 631 T HA 0.709 5.059 4.350 0.000 0.000 0.288 631 T C -1.107 173.681 174.700 0.148 0.000 1.021 631 T CA -0.327 61.842 62.100 0.115 0.000 1.000 631 T CB 1.481 70.389 68.868 0.067 0.000 1.034 631 T HN 0.894 nan 8.240 nan 0.000 0.467 632 T N 3.633 118.293 114.554 0.178 0.000 2.916 632 T HA 0.399 4.749 4.350 0.000 0.000 0.298 632 T C -1.798 173.076 174.700 0.291 0.000 1.031 632 T CA -0.472 61.752 62.100 0.207 0.000 0.993 632 T CB 1.092 69.988 68.868 0.047 0.000 1.045 632 T HN 0.607 nan 8.240 nan 0.000 0.454 633 Y N 3.431 123.878 120.300 0.245 0.000 2.402 633 Y HA 0.532 5.082 4.550 0.000 0.000 0.332 633 Y C -0.135 175.889 175.900 0.207 0.000 0.960 633 Y CA -1.199 57.038 58.100 0.228 0.000 1.228 633 Y CB 0.407 39.008 38.460 0.234 0.000 1.120 633 Y HN 0.596 nan 8.280 nan 0.000 0.491 634 I N 7.372 127.839 120.570 -0.172 0.000 2.455 634 I HA -0.056 4.114 4.170 0.000 0.000 0.303 634 I C 1.450 177.272 176.117 -0.491 0.000 1.180 634 I CA 0.260 61.396 61.300 -0.273 0.000 1.469 634 I CB 0.136 38.057 38.000 -0.132 0.000 1.480 634 I HN 0.793 nan 8.210 nan 0.000 0.669 635 T N 1.623 115.897 114.554 -0.466 0.000 2.622 635 T HA -0.128 4.222 4.350 0.000 0.000 0.266 635 T C 0.932 175.472 174.700 -0.268 0.000 1.047 635 T CA 1.310 63.182 62.100 -0.380 0.000 1.159 635 T CB -0.128 68.625 68.868 -0.191 0.000 0.863 635 T HN 0.618 nan 8.240 nan 0.000 0.422 636 S N -0.661 114.902 115.700 -0.228 0.000 2.806 636 S HA 0.538 5.008 4.470 0.000 0.000 0.306 636 S C 0.735 175.235 174.600 -0.166 0.000 1.167 636 S CA -0.438 57.660 58.200 -0.171 0.000 0.847 636 S CB 1.843 64.971 63.200 -0.121 0.000 1.216 636 S HN 0.220 nan 8.310 nan 0.000 0.532 637 Q N 1.482 121.199 119.800 -0.138 0.000 2.029 637 Q HA -0.238 4.102 4.340 0.000 0.000 0.209 637 Q C 1.923 177.851 176.000 -0.119 0.000 0.999 637 Q CA 2.958 58.684 55.803 -0.128 0.000 0.857 637 Q CB -0.898 27.776 28.738 -0.107 0.000 0.926 637 Q HN 0.904 nan 8.270 nan 0.000 0.415 638 E N -1.049 119.085 120.200 -0.110 0.000 2.114 638 E HA -0.240 4.110 4.350 0.000 0.000 0.199 638 E C 1.836 178.360 176.600 -0.127 0.000 1.008 638 E CA 1.947 58.283 56.400 -0.106 0.000 0.810 638 E CB -0.620 29.020 29.700 -0.099 0.000 0.739 638 E HN 0.287 nan 8.360 nan 0.000 0.456 639 V N 1.381 121.195 119.914 -0.167 0.000 2.307 639 V HA -0.305 3.815 4.120 0.000 0.000 0.245 639 V C 2.763 178.765 176.094 -0.154 0.000 1.045 639 V CA 2.236 64.412 62.300 -0.206 0.000 1.024 639 V CB -0.955 30.685 31.823 -0.305 0.000 0.651 639 V HN 0.338 nan 8.190 nan 0.000 0.449 640 Q N 0.329 120.052 119.800 -0.127 0.000 2.152 640 Q HA -0.250 4.090 4.340 0.000 0.000 0.206 640 Q C 2.156 178.135 176.000 -0.035 0.000 0.985 640 Q CA 2.053 57.817 55.803 -0.064 0.000 0.863 640 Q CB -0.148 28.542 28.738 -0.079 0.000 0.904 640 Q HN 0.697 nan 8.270 nan 0.000 0.422 641 N N 0.263 118.928 118.700 -0.058 0.000 2.142 641 N HA -0.111 4.629 4.740 0.000 0.000 0.186 641 N C 1.672 177.167 175.510 -0.025 0.000 1.023 641 N CA 1.529 54.557 53.050 -0.036 0.000 0.852 641 N CB -0.216 38.241 38.487 -0.050 0.000 0.998 641 N HN 0.311 nan 8.380 nan 0.000 0.424 642 S N -0.025 115.642 115.700 -0.055 0.000 2.803 642 S HA 0.137 4.608 4.470 0.000 0.000 0.226 642 S C 1.513 176.086 174.600 -0.045 0.000 0.962 642 S CA 0.203 58.372 58.200 -0.052 0.000 0.968 642 S CB -0.385 62.765 63.200 -0.084 0.000 0.786 642 S HN 0.259 nan 8.310 nan 0.000 0.527 643 I N -0.855 119.698 120.570 -0.027 0.000 4.228 643 I HA 0.184 4.355 4.170 0.000 0.000 0.298 643 I C 1.613 177.824 176.117 0.156 0.000 1.206 643 I CA 0.127 61.407 61.300 -0.032 0.000 1.322 643 I CB 0.074 37.969 38.000 -0.174 0.000 1.411 643 I HN 0.200 nan 8.210 nan 0.000 0.454 644 L N 0.865 122.198 121.223 0.185 0.000 2.313 644 L HA -0.029 4.311 4.340 0.000 0.000 0.214 644 L C 2.585 179.548 176.870 0.156 0.000 1.119 644 L CA 1.185 56.173 54.840 0.246 0.000 0.809 644 L CB -0.479 41.688 42.059 0.180 0.000 0.933 644 L HN 0.319 nan 8.230 nan 0.000 0.449 645 S N -0.790 114.967 115.700 0.096 0.000 2.371 645 S HA -0.019 4.452 4.470 0.000 0.000 0.219 645 S C 1.383 176.022 174.600 0.065 0.000 1.040 645 S CA 0.242 58.479 58.200 0.062 0.000 0.958 645 S CB -0.505 62.712 63.200 0.029 0.000 0.860 645 S HN 0.431 nan 8.310 nan 0.000 0.487 646 S N 2.389 118.129 115.700 0.067 0.000 2.617 646 S HA 0.230 4.700 4.470 0.000 0.000 0.255 646 S C 0.297 174.945 174.600 0.080 0.000 1.318 646 S CA -0.545 57.693 58.200 0.063 0.000 0.978 646 S CB -0.238 62.999 63.200 0.062 0.000 0.961 646 S HN 0.447 nan 8.310 nan 0.000 0.582 647 N N 0.349 119.079 118.700 0.051 0.000 2.597 647 N HA 0.092 4.832 4.740 0.000 0.000 0.269 647 N C 0.216 175.715 175.510 -0.019 0.000 1.204 647 N CA -0.010 53.047 53.050 0.011 0.000 0.947 647 N CB -0.376 38.100 38.487 -0.018 0.000 1.258 647 N HN 0.703 nan 8.380 nan 0.000 0.508 648 Y N 0.557 120.780 120.300 -0.128 0.000 2.256 648 Y HA -0.061 4.490 4.550 0.000 0.000 0.288 648 Y C -0.009 175.607 175.900 -0.473 0.000 1.155 648 Y CA 1.159 59.097 58.100 -0.269 0.000 1.203 648 Y CB -0.012 38.233 38.460 -0.358 0.000 0.980 648 Y HN -0.090 nan 8.280 nan 0.000 0.530 649 F N 0.426 120.144 119.950 -0.385 0.000 2.399 649 F HA 0.351 4.878 4.527 0.000 0.000 0.328 649 F C -0.075 175.235 175.800 -0.816 0.000 1.084 649 F CA -0.725 56.688 58.000 -0.979 0.000 1.053 649 F CB 1.111 39.446 39.000 -1.108 0.000 1.209 649 F HN -0.176 nan 8.300 nan 0.000 0.502 650 D N 1.500 121.498 120.400 -0.670 0.000 2.934 650 D HA 0.150 4.790 4.640 0.000 0.000 0.249 650 D C -0.059 176.142 176.300 -0.165 0.000 1.293 650 D CA -0.234 53.565 54.000 -0.336 0.000 0.812 650 D CB -0.328 40.409 40.800 -0.105 0.000 1.439 650 D HN 0.173 nan 8.370 nan 0.000 0.555 651 F N 0.102 120.092 119.950 0.067 0.000 2.451 651 F HA 0.076 4.603 4.527 0.000 0.000 0.299 651 F C 1.668 177.491 175.800 0.038 0.000 1.101 651 F CA 0.309 58.355 58.000 0.076 0.000 1.436 651 F CB -0.147 38.866 39.000 0.021 0.000 1.074 651 F HN 0.201 nan 8.300 nan 0.000 0.553 652 D N 0.687 121.157 120.400 0.116 0.000 2.663 652 D HA -0.022 4.618 4.640 0.000 0.000 0.243 652 D C 0.048 176.353 176.300 0.008 0.000 1.218 652 D CA 0.369 54.403 54.000 0.057 0.000 0.846 652 D CB -0.486 40.331 40.800 0.028 0.000 1.014 652 D HN 0.166 nan 8.370 nan 0.000 0.476 653 N N 1.454 120.159 118.700 0.009 0.000 2.594 653 N HA 0.009 4.749 4.740 0.000 0.000 0.280 653 N C 0.828 176.271 175.510 -0.112 0.000 1.156 653 N CA -0.434 52.580 53.050 -0.060 0.000 0.831 653 N CB 1.035 39.491 38.487 -0.051 0.000 1.379 653 N HN -0.141 nan 8.380 nan 0.000 0.536 654 L N 2.364 123.477 121.223 -0.183 0.000 2.191 654 L HA -0.109 4.231 4.340 0.000 0.000 0.212 654 L C 1.729 178.398 176.870 -0.335 0.000 1.103 654 L CA 1.290 56.002 54.840 -0.214 0.000 0.769 654 L CB -0.874 41.057 42.059 -0.213 0.000 0.908 654 L HN 0.598 nan 8.230 nan 0.000 0.438 655 H N -0.831 118.080 119.070 -0.264 0.000 2.389 655 H HA 0.075 4.631 4.556 0.000 0.000 0.299 655 H C 0.558 175.579 175.328 -0.512 0.000 1.081 655 H CA 0.348 56.191 56.048 -0.340 0.000 1.345 655 H CB -0.002 29.606 29.762 -0.257 0.000 1.393 655 H HN 0.040 nan 8.280 nan 0.000 0.520 656 V N 2.396 122.074 119.914 -0.393 0.000 2.472 656 V HA 0.180 4.300 4.120 0.000 0.000 0.290 656 V C 0.122 175.767 176.094 -0.748 0.000 1.037 656 V CA -0.595 61.363 62.300 -0.569 0.000 0.908 656 V CB 1.915 33.472 31.823 -0.444 0.000 0.985 656 V HN 0.336 nan 8.190 nan 0.000 0.454 657 H N 2.670 121.306 119.070 -0.724 0.000 2.731 657 H HA 0.555 5.111 4.556 0.000 0.000 0.368 657 H C -1.552 173.362 175.328 -0.690 0.000 1.168 657 H CA -0.611 55.083 56.048 -0.589 0.000 1.181 657 H CB 1.920 31.209 29.762 -0.790 0.000 1.743 657 H HN 0.568 nan 8.280 nan 0.000 0.547 658 Y N 1.277 121.632 120.300 0.091 0.000 2.326 658 Y HA 0.280 4.830 4.550 0.000 0.000 0.331 658 Y C -0.457 175.539 175.900 0.160 0.000 0.962 658 Y CA -0.728 57.465 58.100 0.155 0.000 1.167 658 Y CB 1.257 39.954 38.460 0.395 0.000 1.148 658 Y HN 0.246 nan 8.280 nan 0.000 0.463 659 L N 3.858 125.219 121.223 0.230 0.000 2.334 659 L HA 0.584 4.924 4.340 0.000 0.000 0.270 659 L C -1.067 175.844 176.870 0.067 0.000 1.018 659 L CA -0.891 54.024 54.840 0.125 0.000 0.811 659 L CB 1.657 43.766 42.059 0.083 0.000 1.271 659 L HN 0.526 nan 8.230 nan 0.000 0.443 660 L N 2.891 124.087 121.223 -0.045 0.000 2.404 660 L HA 0.546 4.886 4.340 0.000 0.000 0.272 660 L C -1.402 175.321 176.870 -0.244 0.000 0.980 660 L CA -0.148 54.626 54.840 -0.110 0.000 0.836 660 L CB 1.202 43.179 42.059 -0.138 0.000 1.238 660 L HN 0.355 nan 8.230 nan 0.000 0.408 661 L N 4.793 125.825 121.223 -0.318 0.000 2.264 661 L HA 0.575 4.915 4.340 0.000 0.000 0.289 661 L C 0.688 177.382 176.870 -0.295 0.000 1.044 661 L CA -0.511 53.976 54.840 -0.588 0.000 0.807 661 L CB 1.368 42.699 42.059 -1.214 0.000 1.192 661 L HN 0.715 nan 8.230 nan 0.000 0.425 662 T N -2.449 111.920 114.554 -0.308 0.000 2.884 662 T HA 0.178 4.528 4.350 0.000 0.000 0.277 662 T C 1.337 176.045 174.700 0.013 0.000 0.976 662 T CA 0.010 61.681 62.100 -0.715 0.000 0.956 662 T CB 1.287 69.538 68.868 -1.029 0.000 1.113 662 T HN 0.687 nan 8.240 nan 0.000 0.554 663 T N -0.935 113.703 114.554 0.140 0.000 2.929 663 T HA -0.015 4.335 4.350 0.000 0.000 0.271 663 T C 0.668 175.478 174.700 0.182 0.000 1.085 663 T CA 0.311 62.600 62.100 0.315 0.000 1.125 663 T CB -0.658 68.452 68.868 0.402 0.000 0.874 663 T HN 0.600 nan 8.240 nan 0.000 0.494 664 N N 1.310 120.082 118.700 0.121 0.000 2.489 664 N HA 0.409 5.149 4.740 0.000 0.000 0.284 664 N C 0.960 176.553 175.510 0.138 0.000 1.158 664 N CA -0.258 52.852 53.050 0.101 0.000 0.965 664 N CB 0.959 39.500 38.487 0.089 0.000 1.195 664 N HN 0.286 nan 8.380 nan 0.000 0.506 665 G N -0.188 108.664 108.800 0.086 0.000 3.229 665 G HA2 -0.066 3.894 3.960 0.000 0.000 0.214 665 G HA3 -0.066 3.894 3.960 0.000 0.000 0.214 665 G C 0.457 175.569 174.900 0.354 0.000 1.256 665 G CA 0.224 45.386 45.100 0.103 0.000 1.042 665 G HN 0.644 nan 8.290 nan 0.000 0.497 666 T N -2.529 112.211 114.554 0.310 0.000 2.907 666 T HA 0.656 5.006 4.350 0.000 0.000 0.284 666 T C -0.535 174.194 174.700 0.049 0.000 1.004 666 T CA -0.784 61.474 62.100 0.262 0.000 1.063 666 T CB 2.575 71.527 68.868 0.140 0.000 0.992 666 T HN -0.041 nan 8.240 nan 0.000 0.483 667 V N 3.943 123.670 119.914 -0.311 0.000 2.876 667 V HA 0.746 4.866 4.120 0.000 0.000 0.312 667 V C -0.229 175.647 176.094 -0.364 0.000 1.085 667 V CA -1.034 60.954 62.300 -0.520 0.000 0.945 667 V CB 1.781 33.032 31.823 -0.954 0.000 1.017 667 V HN 1.160 nan 8.190 nan 0.000 0.428 668 M N 1.317 120.791 119.600 -0.209 0.000 2.465 668 M HA 0.692 5.172 4.480 0.000 0.000 0.284 668 M C -1.061 175.220 176.300 -0.033 0.000 1.212 668 M CA -0.613 54.633 55.300 -0.091 0.000 0.910 668 M CB 2.483 35.071 32.600 -0.020 0.000 1.725 668 M HN 0.621 nan 8.290 nan 0.000 0.477 669 E N 1.961 122.159 120.200 -0.003 0.000 2.283 669 E HA 0.713 5.063 4.350 0.000 0.000 0.271 669 E C -1.631 174.999 176.600 0.050 0.000 1.031 669 E CA -0.664 55.767 56.400 0.051 0.000 0.868 669 E CB 1.566 31.283 29.700 0.027 0.000 1.094 669 E HN 0.706 nan 8.360 nan 0.000 0.401 670 I N 1.951 122.595 120.570 0.123 0.000 2.603 670 I HA 0.516 4.686 4.170 0.000 0.000 0.300 670 I C -0.094 175.947 176.117 -0.127 0.000 1.017 670 I CA -0.570 60.737 61.300 0.012 0.000 1.098 670 I CB 2.013 40.053 38.000 0.067 0.000 1.279 670 I HN 0.657 nan 8.210 nan 0.000 0.437 671 A N 3.743 126.207 122.820 -0.594 0.000 2.716 671 A HA 0.620 4.940 4.320 0.000 0.000 0.197 671 A C -0.128 176.703 177.584 -1.255 0.000 1.118 671 A CA 0.009 51.375 52.037 -1.118 0.000 1.293 671 A CB -0.101 18.681 19.000 -0.364 0.000 1.198 671 A HN 0.849 nan 8.150 nan 0.000 0.506 672 G N 0.000 108.097 108.800 -1.172 0.000 5.446 672 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 672 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 672 G CA 0.000 44.747 45.100 -0.588 0.000 0.502 672 G HN 0.000 nan 8.290 nan 0.000 0.925