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 2v50_1_D DATA FIRST_RESID 1 DATA SEQUENCE MSKFFIDRPI FAWVIALVIM LAGGLSILSL PVNQYPAIAP PAIAVQVSYP DATA SEQUENCE GASAETVQDT VVQVIEQQMN GIDNLRYISS ESNSDGSMTI TVTFEQGTDP DATA SEQUENCE DIAQVQVQNK LQLATPLLPQ EVQRQGIRVT KAVKNFLMVV GVVSTDGSMT DATA SEQUENCE KEDLSNYIVS NIQDPLSRTK GVGDFQVFGS QYSMRIWLDP AKLNSYQLTP DATA SEQUENCE GDVSSAIQAQ NVQISSGQLG GLPAVKGQQL NATIIGKTRL QTAEQFENIL DATA SEQUENCE LKXXXXXXXX XLKDVADVGL GGQDYSINAQ FNGSPASGIA IKLATGANAL DATA SEQUENCE DTAKAIRQTI ANLEPFMPQG MKVVYPYDTT PVVSASIHEV VKTLGEAILL DATA SEQUENCE VFLVMYLFLQ NFRATLIPTI AVPVVLLGTF GVLAAFGFSI NTLTMFGMVL DATA SEQUENCE AIGLLVDDAI VVVENVERVM AEEGLSPREA ARKSMGQIQG ALVGIAMVLS DATA SEQUENCE AVFLPMAFFG GSTGVIYRQF SITIVSAMAL SVIVALILTP ALCATMLKPX DATA SEQUENCE XXXXXXXXXX XFFGWFNRMF LSTTHGYERG VASILKHRAP YLLIYVVIVA DATA SEQUENCE GMIWMFTRIP TAFLPDEDQG VLFAQVQTPP GSSAERTQVV VDSMREYLLE DATA SEQUENCE KESSSVSSVF TVTGFNFAGR GQSSGMAFIM LKPWEERPGG ENSVFELAKR DATA SEQUENCE AQMHFFSFKD AMVFAFAPPX XXXXXNATGF DLFLQDQAGV GHEVLLQARN DATA SEQUENCE KFLMLAAQNP ALQRVRPNGM SDEPQYKLEI DDEKASALGV SLADINSTVS DATA SEQUENCE IAWGSSYVND FIDRGRVKRV YLQGRPDARM NPDDLSKWYV RNDKGEMVPF DATA SEQUENCE NAFATGKWEY GSPKLERYNG VPAMEILGEP APGLSSGDAM AAVEEIVKQL DATA SEQUENCE PKGVGYSWTG LSYEERLSGS QAPALYALSL LVVFLCLAAL YESWSIPFSV DATA SEQUENCE MLVVPLGVIG ALLATSMRGL SNDVFFQVGL LTTIGLSAKN AILIVEFAKE DATA SEQUENCE LHEQGKGIVE AAIEACRMRL RPIVMTSLAF ILGVVPLAIS TGAGSGSQHA DATA SEQUENCE IGTGVIGGMV TATVLAIFWV PLFYV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.506 176.300 0.344 0.000 1.140 1 M CA 0.000 55.406 55.300 0.177 0.000 0.988 1 M CB 0.000 32.704 32.600 0.173 0.000 1.302 2 S N 1.202 117.034 115.700 0.220 0.000 2.355 2 S HA -0.033 4.436 4.470 -0.002 0.000 0.222 2 S C 1.578 176.286 174.600 0.180 0.000 1.031 2 S CA 1.413 59.737 58.200 0.206 0.000 0.993 2 S CB -0.603 62.645 63.200 0.081 0.000 0.859 2 S HN 0.555 nan 8.310 nan 0.000 0.453 3 K N 0.707 121.179 120.400 0.120 0.000 2.113 3 K HA -0.098 4.221 4.320 -0.002 0.000 0.208 3 K C 1.835 178.492 176.600 0.095 0.000 1.047 3 K CA 1.668 58.007 56.287 0.086 0.000 0.928 3 K CB -0.491 32.047 32.500 0.064 0.000 0.716 3 K HN 0.470 nan 8.250 nan 0.000 0.446 4 F N 0.436 120.345 119.950 -0.067 0.000 2.120 4 F HA -0.272 4.254 4.527 -0.002 0.000 0.300 4 F C 1.676 177.321 175.800 -0.257 0.000 1.095 4 F CA 1.469 59.344 58.000 -0.208 0.000 1.249 4 F CB -0.072 38.704 39.000 -0.372 0.000 0.995 4 F HN -0.076 nan 8.300 nan 0.000 0.480 5 F N -0.231 119.625 119.950 -0.157 0.000 2.335 5 F HA -0.044 4.482 4.527 -0.002 0.000 0.296 5 F C 1.933 177.624 175.800 -0.182 0.000 1.091 5 F CA 0.461 58.290 58.000 -0.284 0.000 1.399 5 F CB -0.534 38.338 39.000 -0.214 0.000 1.067 5 F HN -0.135 nan 8.300 nan 0.000 0.520 6 I N 0.332 120.933 120.570 0.053 0.000 2.300 6 I HA -0.314 3.855 4.170 -0.002 0.000 0.252 6 I C 1.651 177.760 176.117 -0.013 0.000 1.119 6 I CA 1.576 62.886 61.300 0.017 0.000 1.384 6 I CB -0.560 37.450 38.000 0.017 0.000 1.062 6 I HN 0.075 nan 8.210 nan 0.000 0.426 7 D N -0.094 120.267 120.400 -0.064 0.000 2.301 7 D HA 0.085 4.724 4.640 -0.002 0.000 0.206 7 D C 0.929 177.165 176.300 -0.107 0.000 0.979 7 D CA 0.541 54.496 54.000 -0.076 0.000 0.874 7 D CB 0.164 40.917 40.800 -0.078 0.000 0.968 7 D HN 0.269 nan 8.370 nan 0.000 0.510 8 R N 0.979 121.361 120.500 -0.196 0.000 3.050 8 R HA 0.227 4.565 4.340 -0.002 0.000 0.275 8 R C -1.940 174.389 176.300 0.048 0.000 1.373 8 R CA -1.290 54.727 56.100 -0.137 0.000 1.612 8 R CB 1.406 31.482 30.300 -0.374 0.000 1.218 8 R HN 0.011 nan 8.270 nan 0.000 0.621 9 P HA -0.151 nan 4.420 nan 0.000 0.214 9 P C 1.297 178.755 177.300 0.264 0.000 1.162 9 P CA 0.997 64.185 63.100 0.146 0.000 0.879 9 P CB 0.054 31.839 31.700 0.141 0.000 0.786 10 I N -4.142 116.589 120.570 0.269 0.000 3.444 10 I HA -0.024 4.145 4.170 -0.002 0.000 0.287 10 I C 1.885 178.227 176.117 0.375 0.000 1.302 10 I CA 0.772 62.269 61.300 0.328 0.000 1.368 10 I CB -0.590 37.521 38.000 0.185 0.000 1.048 10 I HN -0.142 nan 8.210 nan 0.000 0.487 11 F N 1.561 121.606 119.950 0.159 0.000 2.179 11 F HA 0.020 4.546 4.527 -0.002 0.000 0.292 11 F C 2.593 178.544 175.800 0.253 0.000 1.089 11 F CA 0.783 58.894 58.000 0.185 0.000 1.295 11 F CB 0.066 39.129 39.000 0.105 0.000 1.041 11 F HN 0.190 nan 8.300 nan 0.000 0.487 12 A N 0.301 123.306 122.820 0.309 0.000 1.948 12 A HA -0.285 4.034 4.320 -0.002 0.000 0.220 12 A C 1.863 179.378 177.584 -0.114 0.000 1.177 12 A CA 1.823 53.793 52.037 -0.111 0.000 0.636 12 A CB -1.637 17.248 19.000 -0.191 0.000 0.815 12 A HN 0.730 nan 8.150 nan 0.000 0.449 13 W N -0.686 120.648 121.300 0.057 0.000 2.407 13 W HA -0.084 4.575 4.660 -0.002 0.000 0.305 13 W C 2.318 178.879 176.519 0.070 0.000 1.196 13 W CA 1.133 58.504 57.345 0.043 0.000 1.311 13 W CB -0.344 29.146 29.460 0.050 0.000 1.135 13 W HN 0.110 nan 8.180 nan 0.000 0.514 14 V N 1.121 121.275 119.914 0.400 0.000 2.453 14 V HA -0.332 3.787 4.120 -0.002 0.000 0.252 14 V C 2.012 178.255 176.094 0.248 0.000 1.068 14 V CA 1.735 64.221 62.300 0.311 0.000 1.070 14 V CB -0.844 31.177 31.823 0.330 0.000 0.664 14 V HN 0.241 nan 8.190 nan 0.000 0.461 15 I N 0.247 120.940 120.570 0.205 0.000 2.500 15 I HA -0.062 4.107 4.170 -0.002 0.000 0.252 15 I C 2.308 178.437 176.117 0.021 0.000 1.142 15 I CA 1.901 63.255 61.300 0.089 0.000 1.451 15 I CB -0.706 37.274 38.000 -0.033 0.000 1.093 15 I HN 0.263 nan 8.210 nan 0.000 0.430 16 A N 1.699 124.521 122.820 0.003 0.000 1.873 16 A HA -0.112 4.207 4.320 -0.002 0.000 0.215 16 A C 2.297 179.937 177.584 0.093 0.000 1.186 16 A CA 1.276 53.309 52.037 -0.006 0.000 0.616 16 A CB -0.832 18.111 19.000 -0.094 0.000 0.823 16 A HN 0.500 nan 8.150 nan 0.000 0.442 17 L N -0.497 120.835 121.223 0.181 0.000 2.012 17 L HA -0.192 4.146 4.340 -0.002 0.000 0.210 17 L C 2.514 179.444 176.870 0.099 0.000 1.073 17 L CA 1.242 56.178 54.840 0.159 0.000 0.748 17 L CB -0.667 41.495 42.059 0.170 0.000 0.891 17 L HN 0.242 nan 8.230 nan 0.000 0.431 18 V N 0.159 120.129 119.914 0.094 0.000 2.407 18 V HA -0.285 3.834 4.120 -0.002 0.000 0.248 18 V C 2.280 178.404 176.094 0.051 0.000 1.055 18 V CA 1.743 64.086 62.300 0.072 0.000 1.049 18 V CB -0.251 31.620 31.823 0.081 0.000 0.662 18 V HN 0.331 nan 8.190 nan 0.000 0.455 19 I N -0.866 119.730 120.570 0.042 0.000 2.286 19 I HA -0.262 3.907 4.170 -0.002 0.000 0.245 19 I C 2.454 178.592 176.117 0.035 0.000 1.104 19 I CA 1.627 62.941 61.300 0.024 0.000 1.397 19 I CB -0.318 37.680 38.000 -0.003 0.000 1.072 19 I HN 0.272 nan 8.210 nan 0.000 0.417 20 M N 0.007 119.635 119.600 0.047 0.000 2.117 20 M HA -0.204 4.275 4.480 -0.002 0.000 0.262 20 M C 2.405 178.728 176.300 0.039 0.000 1.065 20 M CA 1.508 56.839 55.300 0.052 0.000 1.114 20 M CB -0.403 32.238 32.600 0.069 0.000 1.361 20 M HN 0.278 nan 8.290 nan 0.000 0.408 21 L N 0.795 122.042 121.223 0.040 0.000 1.990 21 L HA -0.205 4.134 4.340 -0.002 0.000 0.213 21 L C 2.624 179.507 176.870 0.021 0.000 1.072 21 L CA 2.324 57.181 54.840 0.028 0.000 0.755 21 L CB -1.013 41.067 42.059 0.035 0.000 0.889 21 L HN 0.313 nan 8.230 nan 0.000 0.432 22 A N -0.681 122.156 122.820 0.028 0.000 2.019 22 A HA -0.095 4.224 4.320 -0.002 0.000 0.219 22 A C 2.277 179.879 177.584 0.030 0.000 1.164 22 A CA 1.482 53.535 52.037 0.026 0.000 0.644 22 A CB -0.975 18.041 19.000 0.028 0.000 0.805 22 A HN 0.537 nan 8.150 nan 0.000 0.449 23 G N -0.387 108.435 108.800 0.037 0.000 2.464 23 G HA2 0.081 4.040 3.960 -0.002 0.000 0.214 23 G HA3 0.081 4.040 3.960 -0.002 0.000 0.214 23 G C 1.606 176.489 174.900 -0.028 0.000 1.218 23 G CA 1.106 46.237 45.100 0.052 0.000 0.794 23 G HN 0.669 nan 8.290 nan 0.000 0.542 24 G N 0.763 109.536 108.800 -0.045 0.000 2.513 24 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.219 24 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.219 24 G C 1.761 176.618 174.900 -0.072 0.000 1.160 24 G CA 1.115 46.165 45.100 -0.083 0.000 0.767 24 G HN 0.301 nan 8.290 nan 0.000 0.571 25 L N 1.196 122.399 121.223 -0.034 0.000 2.079 25 L HA -0.050 4.289 4.340 -0.002 0.000 0.210 25 L C 3.100 179.956 176.870 -0.024 0.000 1.081 25 L CA 1.891 56.718 54.840 -0.022 0.000 0.752 25 L CB -0.733 41.324 42.059 -0.003 0.000 0.896 25 L HN 0.203 nan 8.230 nan 0.000 0.433 26 S N -0.905 114.785 115.700 -0.017 0.000 2.406 26 S HA -0.028 4.441 4.470 -0.002 0.000 0.228 26 S C 1.994 176.568 174.600 -0.043 0.000 1.020 26 S CA 0.844 59.046 58.200 0.003 0.000 0.965 26 S CB -0.180 63.055 63.200 0.058 0.000 0.798 26 S HN 0.359 nan 8.310 nan 0.000 0.488 27 I N 1.656 122.134 120.570 -0.154 0.000 2.226 27 I HA -0.146 4.023 4.170 -0.002 0.000 0.245 27 I C 1.649 177.689 176.117 -0.128 0.000 1.100 27 I CA 1.154 62.305 61.300 -0.248 0.000 1.374 27 I CB -0.421 37.335 38.000 -0.406 0.000 1.057 27 I HN 0.233 nan 8.210 nan 0.000 0.413 28 L N 0.366 121.533 121.223 -0.093 0.000 2.633 28 L HA -0.085 4.254 4.340 -0.002 0.000 0.235 28 L C 1.978 178.828 176.870 -0.033 0.000 1.163 28 L CA 0.994 55.799 54.840 -0.059 0.000 0.859 28 L CB -0.545 41.486 42.059 -0.047 0.000 0.973 28 L HN 0.424 nan 8.230 nan 0.000 0.451 29 S N -2.425 113.260 115.700 -0.024 0.000 2.692 29 S HA 0.172 4.641 4.470 -0.002 0.000 0.269 29 S C 0.491 175.099 174.600 0.013 0.000 1.080 29 S CA -0.475 57.723 58.200 -0.003 0.000 1.058 29 S CB 0.095 63.297 63.200 0.004 0.000 0.982 29 S HN 0.113 nan 8.310 nan 0.000 0.534 30 L N 4.099 125.334 121.223 0.020 0.000 2.490 30 L HA 0.303 4.642 4.340 -0.002 0.000 0.274 30 L C -2.086 174.810 176.870 0.043 0.000 1.201 30 L CA -1.624 53.247 54.840 0.052 0.000 0.869 30 L CB 0.216 42.330 42.059 0.090 0.000 1.123 30 L HN 0.204 nan 8.230 nan 0.000 0.484 31 P HA 0.028 nan 4.420 nan 0.000 0.268 31 P C -0.923 176.401 177.300 0.039 0.000 1.204 31 P CA -0.068 63.056 63.100 0.040 0.000 0.768 31 P CB 0.893 32.621 31.700 0.047 0.000 0.842 32 V N 4.564 124.491 119.914 0.022 0.000 2.349 32 V HA 0.271 4.390 4.120 -0.002 0.000 0.284 32 V C 0.277 176.370 176.094 -0.001 0.000 1.014 32 V CA -0.343 61.965 62.300 0.013 0.000 0.826 32 V CB 0.677 32.504 31.823 0.006 0.000 1.009 32 V HN 0.708 nan 8.190 nan 0.000 0.431 33 N N 3.002 121.695 118.700 -0.012 0.000 3.229 33 N HA 0.424 5.163 4.740 -0.002 0.000 0.315 33 N C 0.469 175.928 175.510 -0.085 0.000 1.520 33 N CA -0.967 52.069 53.050 -0.023 0.000 0.769 33 N CB 1.269 39.762 38.487 0.009 0.000 1.766 33 N HN 0.265 nan 8.380 nan 0.000 0.618 34 Q N -1.720 118.024 119.800 -0.094 0.000 2.061 34 Q HA 0.227 4.566 4.340 -0.002 0.000 0.195 34 Q C -0.542 175.119 176.000 -0.565 0.000 0.967 34 Q CA 1.163 56.796 55.803 -0.283 0.000 0.829 34 Q CB 0.183 28.851 28.738 -0.117 0.000 0.900 34 Q HN 0.584 nan 8.270 nan 0.000 0.450 35 Y N -1.047 119.258 120.300 0.008 0.000 2.609 35 Y HA 0.398 4.947 4.550 -0.002 0.000 0.342 35 Y C -2.229 173.665 175.900 -0.010 0.000 1.058 35 Y CA -2.972 55.127 58.100 -0.003 0.000 1.055 35 Y CB 0.894 39.358 38.460 0.007 0.000 1.292 35 Y HN 0.015 nan 8.280 nan 0.000 0.476 36 P HA 0.125 nan 4.420 nan 0.000 0.266 36 P C -0.958 176.388 177.300 0.076 0.000 1.195 36 P CA -0.147 62.980 63.100 0.045 0.000 0.768 36 P CB 0.423 32.112 31.700 -0.018 0.000 0.838 37 A N 3.989 126.838 122.820 0.049 0.000 2.491 37 A HA 0.215 4.534 4.320 -0.002 0.000 0.261 37 A C 1.046 178.658 177.584 0.045 0.000 1.101 37 A CA 0.062 52.133 52.037 0.056 0.000 0.772 37 A CB -0.877 18.149 19.000 0.043 0.000 1.043 37 A HN 0.667 nan 8.150 nan 0.000 0.501 38 I N 0.082 120.687 120.570 0.058 0.000 4.338 38 I HA 0.435 4.604 4.170 -0.002 0.000 0.329 38 I C 0.579 176.726 176.117 0.049 0.000 1.378 38 I CA 0.308 61.636 61.300 0.046 0.000 1.170 38 I CB -0.721 37.313 38.000 0.058 0.000 1.206 38 I HN 0.452 nan 8.210 nan 0.000 0.432 39 A N 3.347 126.203 122.820 0.059 0.000 2.331 39 A HA 0.757 5.076 4.320 -0.002 0.000 0.283 39 A C -2.524 175.093 177.584 0.055 0.000 1.142 39 A CA -1.014 51.062 52.037 0.065 0.000 0.812 39 A CB -0.298 18.746 19.000 0.072 0.000 1.074 39 A HN 0.155 nan 8.150 nan 0.000 0.497 40 P HA 0.370 nan 4.420 nan 0.000 0.274 40 P C -2.584 174.748 177.300 0.053 0.000 1.231 40 P CA -1.087 62.043 63.100 0.050 0.000 0.790 40 P CB -0.153 31.570 31.700 0.037 0.000 0.951 41 P HA 0.357 nan 4.420 nan 0.000 0.272 41 P C -1.136 176.242 177.300 0.131 0.000 1.223 41 P CA -0.089 63.044 63.100 0.055 0.000 0.784 41 P CB 0.482 32.176 31.700 -0.010 0.000 0.923 42 A N 2.545 125.435 122.820 0.116 0.000 2.437 42 A HA 0.551 4.870 4.320 -0.002 0.000 0.293 42 A C -1.012 176.656 177.584 0.141 0.000 1.038 42 A CA -0.476 51.662 52.037 0.169 0.000 0.708 42 A CB 0.487 19.529 19.000 0.071 0.000 1.251 42 A HN 0.331 nan 8.150 nan 0.000 0.409 43 I N 1.885 122.595 120.570 0.234 0.000 2.428 43 I HA 0.539 4.707 4.170 -0.002 0.000 0.289 43 I C 0.713 176.884 176.117 0.090 0.000 1.019 43 I CA -0.003 61.383 61.300 0.145 0.000 1.351 43 I CB 1.533 39.650 38.000 0.195 0.000 1.412 43 I HN 0.749 nan 8.210 nan 0.000 0.513 44 A N 6.581 129.431 122.820 0.050 0.000 2.330 44 A HA 0.733 5.052 4.320 -0.002 0.000 0.313 44 A C -0.959 176.635 177.584 0.018 0.000 1.124 44 A CA -0.569 51.485 52.037 0.029 0.000 0.774 44 A CB 1.004 20.018 19.000 0.023 0.000 1.198 44 A HN 0.380 nan 8.150 nan 0.000 0.465 45 V N 3.423 123.345 119.914 0.014 0.000 2.383 45 V HA 0.356 4.475 4.120 -0.002 0.000 0.275 45 V C -0.016 176.080 176.094 0.004 0.000 1.036 45 V CA -0.110 62.195 62.300 0.007 0.000 0.889 45 V CB 0.892 32.720 31.823 0.009 0.000 0.985 45 V HN 0.927 nan 8.190 nan 0.000 0.459 46 Q N 3.262 123.058 119.800 -0.007 0.000 2.321 46 Q HA 0.738 5.077 4.340 -0.002 0.000 0.270 46 Q C -1.113 174.879 176.000 -0.013 0.000 1.032 46 Q CA -0.398 55.400 55.803 -0.008 0.000 0.784 46 Q CB 3.062 31.783 28.738 -0.028 0.000 1.264 46 Q HN 0.571 nan 8.270 nan 0.000 0.448 47 V N 0.919 120.836 119.914 0.004 0.000 3.156 47 V HA 0.757 4.876 4.120 -0.002 0.000 0.311 47 V C -1.400 174.708 176.094 0.023 0.000 1.208 47 V CA -0.411 61.890 62.300 0.002 0.000 1.063 47 V CB 2.667 34.495 31.823 0.007 0.000 1.098 47 V HN 0.727 nan 8.190 nan 0.000 0.452 48 S N 0.796 116.509 115.700 0.022 0.000 2.549 48 S HA 0.674 5.143 4.470 -0.002 0.000 0.280 48 S C -2.190 172.472 174.600 0.103 0.000 1.109 48 S CA -0.309 57.928 58.200 0.062 0.000 0.905 48 S CB 1.494 64.713 63.200 0.032 0.000 1.081 48 S HN 0.727 nan 8.310 nan 0.000 0.477 49 Y N 4.392 124.706 120.300 0.024 0.000 2.488 49 Y HA 0.475 5.024 4.550 -0.002 0.000 0.330 49 Y C -2.721 173.210 175.900 0.052 0.000 1.013 49 Y CA -2.324 55.800 58.100 0.039 0.000 1.304 49 Y CB 1.172 39.655 38.460 0.037 0.000 1.098 49 Y HN 0.420 nan 8.280 nan 0.000 0.498 50 P HA 0.181 nan 4.420 nan 0.000 0.263 50 P C 0.549 178.016 177.300 0.279 0.000 1.195 50 P CA 1.522 64.771 63.100 0.248 0.000 0.762 50 P CB 0.612 32.457 31.700 0.242 0.000 0.799 51 G N 2.140 111.039 108.800 0.165 0.000 2.221 51 G HA2 -0.082 3.877 3.960 -0.002 0.000 0.265 51 G HA3 -0.082 3.877 3.960 -0.002 0.000 0.265 51 G C 0.305 175.235 174.900 0.051 0.000 1.041 51 G CA 0.013 45.185 45.100 0.120 0.000 0.807 51 G HN 0.830 nan 8.290 nan 0.000 0.502 52 A N -0.341 122.472 122.820 -0.012 0.000 2.306 52 A HA 0.915 5.234 4.320 -0.002 0.000 0.330 52 A C 0.650 178.159 177.584 -0.126 0.000 1.146 52 A CA 0.549 52.453 52.037 -0.221 0.000 0.827 52 A CB 1.097 19.740 19.000 -0.595 0.000 1.178 52 A HN 1.844 nan 8.150 nan 0.000 0.490 53 S N 0.683 116.296 115.700 -0.145 0.000 2.616 53 S HA 0.518 4.987 4.470 -0.002 0.000 0.277 53 S C 1.167 175.718 174.600 -0.080 0.000 1.234 53 S CA -0.094 58.053 58.200 -0.088 0.000 1.028 53 S CB 1.426 64.577 63.200 -0.082 0.000 0.988 53 S HN 1.688 nan 8.310 nan 0.000 0.522 54 A N 1.286 124.078 122.820 -0.046 0.000 1.997 54 A HA -0.153 4.166 4.320 -0.002 0.000 0.221 54 A C 2.136 179.697 177.584 -0.037 0.000 1.172 54 A CA 1.611 53.631 52.037 -0.029 0.000 0.645 54 A CB -0.789 18.202 19.000 -0.015 0.000 0.813 54 A HN 0.883 nan 8.150 nan 0.000 0.454 55 E N -0.581 119.586 120.200 -0.055 0.000 2.107 55 E HA -0.117 4.232 4.350 -0.002 0.000 0.191 55 E C 2.301 178.866 176.600 -0.058 0.000 0.982 55 E CA 1.766 58.134 56.400 -0.054 0.000 0.809 55 E CB -0.340 29.321 29.700 -0.064 0.000 0.756 55 E HN 0.824 nan 8.360 nan 0.000 0.459 56 T N -1.316 113.182 114.554 -0.094 0.000 2.985 56 T HA -0.011 4.338 4.350 -0.002 0.000 0.266 56 T C 2.150 176.777 174.700 -0.122 0.000 1.076 56 T CA 0.614 62.638 62.100 -0.127 0.000 1.135 56 T CB -0.335 68.403 68.868 -0.217 0.000 0.890 56 T HN -0.103 nan 8.240 nan 0.000 0.480 57 V N 1.908 121.759 119.914 -0.106 0.000 2.307 57 V HA -0.209 3.909 4.120 -0.002 0.000 0.245 57 V C 2.932 179.032 176.094 0.010 0.000 1.045 57 V CA 2.139 64.420 62.300 -0.031 0.000 1.024 57 V CB -0.718 31.102 31.823 -0.004 0.000 0.651 57 V HN 0.571 nan 8.190 nan 0.000 0.449 58 Q N -0.078 119.723 119.800 0.001 0.000 1.990 58 Q HA -0.243 4.096 4.340 -0.002 0.000 0.200 58 Q C 1.771 177.779 176.000 0.014 0.000 0.980 58 Q CA 2.201 58.012 55.803 0.014 0.000 0.832 58 Q CB -0.168 28.578 28.738 0.014 0.000 0.897 58 Q HN 0.598 nan 8.270 nan 0.000 0.427 59 D N -0.611 119.792 120.400 0.005 0.000 2.317 59 D HA -0.046 4.593 4.640 -0.002 0.000 0.211 59 D C 1.272 177.584 176.300 0.021 0.000 0.966 59 D CA 1.053 55.058 54.000 0.009 0.000 0.876 59 D CB 0.125 40.925 40.800 0.001 0.000 0.927 59 D HN 0.241 nan 8.370 nan 0.000 0.519 60 T N -0.757 113.815 114.554 0.029 0.000 3.042 60 T HA 0.106 4.455 4.350 -0.002 0.000 0.245 60 T C 1.851 176.602 174.700 0.086 0.000 1.029 60 T CA 0.176 62.314 62.100 0.063 0.000 1.120 60 T CB 0.663 69.581 68.868 0.083 0.000 0.917 60 T HN -0.090 nan 8.240 nan 0.000 0.467 61 V N 0.273 120.237 119.914 0.083 0.000 2.988 61 V HA 0.104 4.222 4.120 -0.002 0.000 0.223 61 V C 2.284 178.406 176.094 0.048 0.000 1.144 61 V CA 0.318 62.666 62.300 0.080 0.000 1.242 61 V CB -0.675 31.213 31.823 0.108 0.000 1.073 61 V HN 0.134 nan 8.190 nan 0.000 0.508 62 V N 0.519 120.458 119.914 0.041 0.000 2.232 62 V HA -0.442 3.677 4.120 -0.002 0.000 0.251 62 V C 2.540 178.643 176.094 0.015 0.000 1.048 62 V CA 2.820 65.135 62.300 0.025 0.000 1.029 62 V CB -1.003 30.834 31.823 0.024 0.000 0.658 62 V HN 0.637 nan 8.190 nan 0.000 0.464 63 Q N -0.901 118.908 119.800 0.015 0.000 2.268 63 Q HA -0.209 4.130 4.340 -0.002 0.000 0.210 63 Q C 2.165 178.170 176.000 0.009 0.000 0.988 63 Q CA 1.929 57.738 55.803 0.009 0.000 0.883 63 Q CB -0.390 28.355 28.738 0.012 0.000 0.911 63 Q HN 0.657 nan 8.270 nan 0.000 0.430 64 V N 1.464 121.388 119.914 0.016 0.000 2.379 64 V HA -0.199 3.920 4.120 -0.002 0.000 0.245 64 V C 2.210 178.310 176.094 0.011 0.000 1.044 64 V CA 1.479 63.789 62.300 0.017 0.000 1.036 64 V CB -0.586 31.253 31.823 0.026 0.000 0.664 64 V HN 0.494 nan 8.190 nan 0.000 0.453 65 I N -0.043 120.533 120.570 0.010 0.000 2.406 65 I HA -0.115 4.054 4.170 -0.002 0.000 0.249 65 I C 2.176 178.289 176.117 -0.007 0.000 1.122 65 I CA 1.840 63.142 61.300 0.004 0.000 1.431 65 I CB -0.808 37.196 38.000 0.006 0.000 1.087 65 I HN 0.438 nan 8.210 nan 0.000 0.424 66 E N 1.031 121.224 120.200 -0.011 0.000 2.153 66 E HA -0.245 4.104 4.350 -0.002 0.000 0.194 66 E C 2.021 178.605 176.600 -0.027 0.000 0.988 66 E CA 1.162 57.546 56.400 -0.027 0.000 0.811 66 E CB -0.051 29.631 29.700 -0.029 0.000 0.746 66 E HN 0.651 nan 8.360 nan 0.000 0.466 67 Q N -0.690 119.101 119.800 -0.015 0.000 2.482 67 Q HA -0.039 4.300 4.340 -0.002 0.000 0.209 67 Q C 1.205 177.197 176.000 -0.012 0.000 0.961 67 Q CA 0.316 56.111 55.803 -0.013 0.000 0.945 67 Q CB 0.448 29.183 28.738 -0.005 0.000 1.012 67 Q HN 0.234 nan 8.270 nan 0.000 0.515 68 Q N -0.828 118.964 119.800 -0.012 0.000 2.246 68 Q HA 0.131 4.470 4.340 -0.002 0.000 0.222 68 Q C 0.153 176.145 176.000 -0.013 0.000 0.851 68 Q CA 0.084 55.882 55.803 -0.009 0.000 0.945 68 Q CB 0.572 29.309 28.738 -0.002 0.000 1.122 68 Q HN 0.275 nan 8.270 nan 0.000 0.508 69 M N 3.232 122.816 119.600 -0.026 0.000 3.705 69 M HA 0.041 4.520 4.480 -0.002 0.000 0.191 69 M C -0.482 175.791 176.300 -0.046 0.000 1.570 69 M CA -0.187 55.090 55.300 -0.039 0.000 1.714 69 M CB -1.350 31.210 32.600 -0.066 0.000 1.148 69 M HN 0.065 nan 8.290 nan 0.000 0.547 70 N N -1.901 116.782 118.700 -0.028 0.000 2.509 70 N HA 0.724 5.463 4.740 -0.002 0.000 0.280 70 N C 0.617 176.121 175.510 -0.010 0.000 1.306 70 N CA -0.274 52.761 53.050 -0.026 0.000 0.782 70 N CB 0.432 38.906 38.487 -0.021 0.000 1.493 70 N HN 0.255 nan 8.380 nan 0.000 0.498 71 G N -0.999 107.796 108.800 -0.007 0.000 2.180 71 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.263 71 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.263 71 G C -0.355 174.555 174.900 0.017 0.000 0.989 71 G CA 0.616 45.719 45.100 0.004 0.000 0.692 71 G HN 0.641 nan 8.290 nan 0.000 0.526 72 I N 1.105 121.687 120.570 0.018 0.000 2.395 72 I HA 0.230 4.399 4.170 -0.002 0.000 0.289 72 I C -0.014 176.149 176.117 0.076 0.000 1.023 72 I CA -0.788 60.549 61.300 0.062 0.000 1.350 72 I CB 0.736 38.776 38.000 0.067 0.000 1.409 72 I HN -0.084 nan 8.210 nan 0.000 0.507 73 D N 5.918 126.389 120.400 0.118 0.000 2.382 73 D HA 0.066 4.704 4.640 -0.002 0.000 0.245 73 D C 0.387 176.799 176.300 0.188 0.000 1.120 73 D CA 0.420 54.486 54.000 0.110 0.000 0.890 73 D CB 0.336 41.183 40.800 0.077 0.000 1.201 73 D HN 0.416 nan 8.370 nan 0.000 0.433 74 N N 0.799 119.570 118.700 0.119 0.000 2.735 74 N HA -0.178 4.561 4.740 -0.002 0.000 0.248 74 N C -0.700 174.863 175.510 0.089 0.000 1.083 74 N CA 0.165 53.297 53.050 0.136 0.000 0.703 74 N CB -0.843 37.762 38.487 0.197 0.000 1.005 74 N HN 0.367 nan 8.380 nan 0.000 0.550 75 L N 1.055 122.238 121.223 -0.068 0.000 2.385 75 L HA 0.156 4.495 4.340 -0.002 0.000 0.281 75 L C 1.515 178.232 176.870 -0.254 0.000 1.106 75 L CA 0.517 55.172 54.840 -0.308 0.000 0.856 75 L CB 1.073 42.981 42.059 -0.251 0.000 1.186 75 L HN 0.163 nan 8.230 nan 0.000 0.453 76 R N 5.782 126.059 120.500 -0.371 0.000 2.060 76 R HA 0.072 4.411 4.340 -0.002 0.000 0.218 76 R C -0.706 175.402 176.300 -0.321 0.000 1.200 76 R CA 1.540 57.444 56.100 -0.328 0.000 0.935 76 R CB -0.080 29.902 30.300 -0.529 0.000 0.814 76 R HN 0.653 nan 8.270 nan 0.000 0.460 77 Y N -2.255 117.831 120.300 -0.356 0.000 2.544 77 Y HA 0.557 5.106 4.550 -0.002 0.000 0.342 77 Y C -1.000 174.589 175.900 -0.519 0.000 1.062 77 Y CA -1.601 56.231 58.100 -0.448 0.000 1.023 77 Y CB 1.101 39.268 38.460 -0.488 0.000 1.308 77 Y HN 0.073 nan 8.280 nan 0.000 0.457 78 I N 2.934 123.298 120.570 -0.344 0.000 2.493 78 I HA 0.696 4.865 4.170 -0.002 0.000 0.298 78 I C -1.030 174.774 176.117 -0.521 0.000 0.998 78 I CA -0.543 60.543 61.300 -0.355 0.000 1.137 78 I CB 1.885 39.710 38.000 -0.291 0.000 1.310 78 I HN 0.805 nan 8.210 nan 0.000 0.445 79 S N 5.721 121.207 115.700 -0.357 0.000 2.750 79 S HA 0.479 4.948 4.470 -0.002 0.000 0.276 79 S C -0.603 173.905 174.600 -0.153 0.000 1.165 79 S CA -0.447 57.531 58.200 -0.371 0.000 1.047 79 S CB 0.905 63.843 63.200 -0.437 0.000 1.056 79 S HN 0.774 nan 8.310 nan 0.000 0.481 80 S N 2.673 118.313 115.700 -0.100 0.000 2.738 80 S HA 0.789 5.258 4.470 -0.002 0.000 0.284 80 S C -0.330 174.295 174.600 0.043 0.000 1.146 80 S CA -0.641 57.548 58.200 -0.018 0.000 0.997 80 S CB 1.298 64.490 63.200 -0.015 0.000 1.081 80 S HN 0.936 nan 8.310 nan 0.000 0.553 81 E N -0.305 119.928 120.200 0.055 0.000 2.531 81 E HA 0.275 4.624 4.350 -0.002 0.000 0.323 81 E C -1.913 174.728 176.600 0.067 0.000 0.908 81 E CA -0.356 56.091 56.400 0.078 0.000 0.792 81 E CB 1.119 30.877 29.700 0.096 0.000 1.360 81 E HN 0.549 nan 8.360 nan 0.000 0.394 82 S N 3.507 119.244 115.700 0.061 0.000 2.448 82 S HA 0.436 4.905 4.470 -0.002 0.000 0.320 82 S C -0.551 174.076 174.600 0.046 0.000 1.071 82 S CA -0.682 57.547 58.200 0.049 0.000 1.113 82 S CB 0.827 64.048 63.200 0.035 0.000 0.972 82 S HN 0.477 nan 8.310 nan 0.000 0.465 83 N N 0.735 119.467 118.700 0.052 0.000 2.472 83 N HA 0.264 5.003 4.740 -0.002 0.000 0.289 83 N C 0.904 176.435 175.510 0.035 0.000 1.156 83 N CA -0.555 52.525 53.050 0.050 0.000 0.940 83 N CB 1.071 39.604 38.487 0.077 0.000 1.200 83 N HN 0.501 nan 8.380 nan 0.000 0.511 84 S N -0.821 114.895 115.700 0.027 0.000 2.660 84 S HA -0.037 4.432 4.470 -0.002 0.000 0.228 84 S C 0.543 175.164 174.600 0.034 0.000 0.966 84 S CA 0.509 58.719 58.200 0.017 0.000 0.940 84 S CB -0.087 63.119 63.200 0.011 0.000 0.773 84 S HN 0.444 nan 8.310 nan 0.000 0.535 85 D N 1.514 121.947 120.400 0.054 0.000 2.355 85 D HA 0.197 4.836 4.640 -0.002 0.000 0.218 85 D C 1.600 177.945 176.300 0.075 0.000 1.004 85 D CA 0.889 54.932 54.000 0.070 0.000 0.880 85 D CB -0.228 40.626 40.800 0.090 0.000 0.911 85 D HN 0.597 nan 8.370 nan 0.000 0.528 86 G N 0.164 109.002 108.800 0.063 0.000 2.148 86 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.254 86 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.254 86 G C 0.225 175.192 174.900 0.112 0.000 0.981 86 G CA 0.409 45.564 45.100 0.091 0.000 0.670 86 G HN 0.295 nan 8.290 nan 0.000 0.528 87 S N 0.634 116.387 115.700 0.087 0.000 2.410 87 S HA 0.624 5.093 4.470 -0.002 0.000 0.304 87 S C 0.228 174.876 174.600 0.079 0.000 1.095 87 S CA 0.141 58.391 58.200 0.084 0.000 1.089 87 S CB 0.935 64.190 63.200 0.092 0.000 0.968 87 S HN 0.822 nan 8.310 nan 0.000 0.480 88 M N 2.010 121.655 119.600 0.074 0.000 2.336 88 M HA 0.693 5.172 4.480 -0.002 0.000 0.342 88 M C -0.753 175.579 176.300 0.054 0.000 1.128 88 M CA 0.029 55.367 55.300 0.063 0.000 1.016 88 M CB 1.392 34.029 32.600 0.061 0.000 1.665 88 M HN 0.183 nan 8.290 nan 0.000 0.445 89 T N 5.460 120.047 114.554 0.055 0.000 3.089 89 T HA 0.512 4.860 4.350 -0.002 0.000 0.340 89 T C -1.024 173.697 174.700 0.035 0.000 1.008 89 T CA -0.422 61.706 62.100 0.048 0.000 1.096 89 T CB 0.222 69.133 68.868 0.073 0.000 1.024 89 T HN 0.800 nan 8.240 nan 0.000 0.477 90 I N 2.260 122.840 120.570 0.017 0.000 2.353 90 I HA 0.636 4.805 4.170 -0.002 0.000 0.293 90 I C -0.455 175.655 176.117 -0.011 0.000 0.992 90 I CA 0.307 61.603 61.300 -0.007 0.000 1.268 90 I CB 1.203 39.192 38.000 -0.019 0.000 1.387 90 I HN 0.363 nan 8.210 nan 0.000 0.478 91 T N 7.329 121.866 114.554 -0.028 0.000 2.809 91 T HA 0.416 4.765 4.350 -0.002 0.000 0.284 91 T C -0.881 173.776 174.700 -0.072 0.000 0.992 91 T CA -0.406 61.681 62.100 -0.022 0.000 0.957 91 T CB 1.207 70.078 68.868 0.004 0.000 0.942 91 T HN 0.593 nan 8.240 nan 0.000 0.439 92 V N 4.636 124.507 119.914 -0.072 0.000 2.328 92 V HA 0.562 4.681 4.120 -0.002 0.000 0.278 92 V C -0.093 175.835 176.094 -0.276 0.000 1.021 92 V CA -0.046 62.128 62.300 -0.209 0.000 0.838 92 V CB 1.040 32.727 31.823 -0.227 0.000 0.999 92 V HN 0.885 nan 8.190 nan 0.000 0.447 93 T N 8.122 122.417 114.554 -0.431 0.000 2.845 93 T HA 0.610 4.959 4.350 -0.002 0.000 0.288 93 T C -0.640 173.703 174.700 -0.595 0.000 0.980 93 T CA 0.225 62.071 62.100 -0.424 0.000 1.071 93 T CB 0.656 69.125 68.868 -0.666 0.000 0.941 93 T HN 0.531 nan 8.240 nan 0.000 0.487 94 F N 0.993 120.807 119.950 -0.226 0.000 2.541 94 F HA 0.520 5.046 4.527 -0.002 0.000 0.331 94 F C 0.774 176.500 175.800 -0.124 0.000 1.057 94 F CA -1.283 56.624 58.000 -0.155 0.000 0.975 94 F CB 0.960 39.903 39.000 -0.095 0.000 1.246 94 F HN 0.371 nan 8.300 nan 0.000 0.484 95 E N 0.588 120.857 120.200 0.116 0.000 2.404 95 E HA 0.048 4.397 4.350 -0.002 0.000 0.261 95 E C -0.734 175.910 176.600 0.074 0.000 1.074 95 E CA -0.225 56.219 56.400 0.074 0.000 0.917 95 E CB 0.467 30.208 29.700 0.069 0.000 0.965 95 E HN 0.365 nan 8.360 nan 0.000 0.433 96 Q N 1.324 121.156 119.800 0.052 0.000 2.286 96 Q HA 0.284 4.623 4.340 -0.002 0.000 0.290 96 Q C -0.055 175.963 176.000 0.030 0.000 1.049 96 Q CA 1.613 57.438 55.803 0.036 0.000 0.923 96 Q CB 0.374 29.125 28.738 0.020 0.000 1.183 96 Q HN 0.729 nan 8.270 nan 0.000 0.383 97 G N 2.871 111.684 108.800 0.022 0.000 2.422 97 G HA2 -0.187 3.772 3.960 -0.002 0.000 0.290 97 G HA3 -0.187 3.772 3.960 -0.002 0.000 0.290 97 G C -0.408 174.497 174.900 0.009 0.000 1.059 97 G CA 0.217 45.324 45.100 0.013 0.000 1.242 97 G HN 0.646 nan 8.290 nan 0.000 0.520 98 T N 0.601 115.152 114.554 -0.005 0.000 2.903 98 T HA 0.440 4.788 4.350 -0.002 0.000 0.299 98 T C -0.771 173.881 174.700 -0.081 0.000 1.093 98 T CA -0.622 61.458 62.100 -0.033 0.000 1.002 98 T CB 2.024 70.883 68.868 -0.016 0.000 1.127 98 T HN 0.280 nan 8.240 nan 0.000 0.488 99 D N 2.607 122.942 120.400 -0.108 0.000 2.352 99 D HA 0.217 4.856 4.640 -0.002 0.000 0.245 99 D C -1.531 174.660 176.300 -0.181 0.000 1.224 99 D CA -2.076 51.857 54.000 -0.111 0.000 0.879 99 D CB 1.664 42.413 40.800 -0.086 0.000 1.057 99 D HN 0.067 nan 8.370 nan 0.000 0.491 100 P HA -0.142 nan 4.420 nan 0.000 0.217 100 P C 0.640 177.838 177.300 -0.170 0.000 1.148 100 P CA 0.924 63.915 63.100 -0.183 0.000 0.834 100 P CB 0.440 32.082 31.700 -0.098 0.000 0.783 101 D N -1.254 119.074 120.400 -0.120 0.000 2.144 101 D HA -0.103 4.535 4.640 -0.002 0.000 0.200 101 D C 1.821 178.055 176.300 -0.110 0.000 0.978 101 D CA 0.961 54.906 54.000 -0.093 0.000 0.833 101 D CB -0.458 40.304 40.800 -0.062 0.000 0.961 101 D HN 0.129 nan 8.370 nan 0.000 0.470 102 I N 0.600 121.089 120.570 -0.136 0.000 2.584 102 I HA 0.025 4.194 4.170 -0.002 0.000 0.255 102 I C 2.353 178.352 176.117 -0.196 0.000 1.145 102 I CA 0.341 61.564 61.300 -0.128 0.000 1.462 102 I CB -1.276 36.663 38.000 -0.103 0.000 1.102 102 I HN -0.132 nan 8.210 nan 0.000 0.433 103 A N 0.709 123.302 122.820 -0.378 0.000 1.865 103 A HA -0.290 4.029 4.320 -0.002 0.000 0.217 103 A C 2.368 179.758 177.584 -0.323 0.000 1.191 103 A CA 2.062 53.672 52.037 -0.710 0.000 0.623 103 A CB -0.884 17.239 19.000 -1.462 0.000 0.826 103 A HN 0.481 nan 8.150 nan 0.000 0.444 104 Q N -0.493 119.169 119.800 -0.230 0.000 2.061 104 Q HA -0.157 4.182 4.340 -0.002 0.000 0.204 104 Q C 2.083 178.053 176.000 -0.051 0.000 0.984 104 Q CA 2.147 57.894 55.803 -0.095 0.000 0.846 104 Q CB -0.270 28.424 28.738 -0.075 0.000 0.902 104 Q HN 0.415 nan 8.270 nan 0.000 0.421 105 V N 0.888 120.766 119.914 -0.061 0.000 2.287 105 V HA -0.315 3.804 4.120 -0.002 0.000 0.248 105 V C 2.268 178.354 176.094 -0.014 0.000 1.053 105 V CA 2.200 64.480 62.300 -0.034 0.000 1.027 105 V CB -0.528 31.273 31.823 -0.037 0.000 0.646 105 V HN 0.454 nan 8.190 nan 0.000 0.447 106 Q N -1.097 118.695 119.800 -0.014 0.000 2.123 106 Q HA -0.128 4.211 4.340 -0.002 0.000 0.199 106 Q C 2.329 178.362 176.000 0.055 0.000 0.966 106 Q CA 1.397 57.214 55.803 0.024 0.000 0.845 106 Q CB -0.130 28.633 28.738 0.042 0.000 0.907 106 Q HN 0.532 nan 8.270 nan 0.000 0.439 107 V N 0.830 120.791 119.914 0.079 0.000 2.237 107 V HA -0.321 3.797 4.120 -0.002 0.000 0.245 107 V C 2.289 178.409 176.094 0.043 0.000 1.046 107 V CA 2.178 64.532 62.300 0.090 0.000 1.007 107 V CB -0.507 31.392 31.823 0.126 0.000 0.638 107 V HN 0.418 nan 8.190 nan 0.000 0.445 108 Q N 0.054 119.870 119.800 0.027 0.000 2.124 108 Q HA -0.285 4.054 4.340 -0.002 0.000 0.202 108 Q C 2.091 178.098 176.000 0.012 0.000 0.977 108 Q CA 2.085 57.897 55.803 0.015 0.000 0.850 108 Q CB -0.280 28.462 28.738 0.006 0.000 0.901 108 Q HN 0.733 nan 8.270 nan 0.000 0.429 109 N N 0.079 118.786 118.700 0.011 0.000 2.192 109 N HA -0.216 4.523 4.740 -0.002 0.000 0.188 109 N C 1.234 176.751 175.510 0.011 0.000 1.013 109 N CA 1.631 54.687 53.050 0.009 0.000 0.863 109 N CB 0.071 38.564 38.487 0.009 0.000 0.990 109 N HN 0.033 nan 8.380 nan 0.000 0.430 110 K N 0.021 120.431 120.400 0.016 0.000 2.078 110 K HA 0.141 4.460 4.320 -0.002 0.000 0.203 110 K C 1.696 178.302 176.600 0.010 0.000 1.043 110 K CA 0.357 56.652 56.287 0.013 0.000 0.960 110 K CB -1.046 31.463 32.500 0.015 0.000 0.761 110 K HN 0.207 nan 8.250 nan 0.000 0.448 111 L N 1.393 122.623 121.223 0.012 0.000 2.151 111 L HA -0.260 4.079 4.340 -0.002 0.000 0.215 111 L C 1.905 178.779 176.870 0.007 0.000 1.084 111 L CA 1.891 56.737 54.840 0.009 0.000 0.764 111 L CB -0.489 41.576 42.059 0.010 0.000 0.891 111 L HN 0.178 nan 8.230 nan 0.000 0.435 112 Q N -0.727 119.077 119.800 0.007 0.000 2.172 112 Q HA -0.024 4.315 4.340 -0.002 0.000 0.200 112 Q C 2.107 178.110 176.000 0.005 0.000 0.964 112 Q CA 1.423 57.229 55.803 0.005 0.000 0.855 112 Q CB -0.281 28.459 28.738 0.004 0.000 0.918 112 Q HN 0.639 nan 8.270 nan 0.000 0.444 113 L N -0.693 120.534 121.223 0.006 0.000 2.265 113 L HA -0.110 4.229 4.340 -0.002 0.000 0.215 113 L C 1.946 178.820 176.870 0.006 0.000 1.117 113 L CA 0.990 55.833 54.840 0.005 0.000 0.782 113 L CB -0.503 41.559 42.059 0.005 0.000 0.914 113 L HN 0.208 nan 8.230 nan 0.000 0.441 114 A N -0.672 122.152 122.820 0.007 0.000 1.920 114 A HA -0.051 4.267 4.320 -0.002 0.000 0.209 114 A C 2.253 179.843 177.584 0.010 0.000 1.229 114 A CA 1.097 53.139 52.037 0.009 0.000 0.671 114 A CB -0.620 18.385 19.000 0.009 0.000 0.886 114 A HN 0.237 nan 8.150 nan 0.000 0.461 115 T N 1.540 116.099 114.554 0.008 0.000 2.684 115 T HA -0.159 4.190 4.350 -0.002 0.000 0.267 115 T C -0.376 174.328 174.700 0.007 0.000 1.032 115 T CA 2.374 64.478 62.100 0.006 0.000 1.155 115 T CB -1.364 67.506 68.868 0.003 0.000 0.857 115 T HN 0.387 nan 8.240 nan 0.000 0.457 116 P HA 0.033 nan 4.420 nan 0.000 0.219 116 P C 1.092 178.399 177.300 0.012 0.000 1.146 116 P CA 0.848 63.953 63.100 0.008 0.000 0.808 116 P CB -0.235 31.470 31.700 0.007 0.000 0.779 117 L N -2.283 118.949 121.223 0.015 0.000 2.627 117 L HA 0.092 4.431 4.340 -0.002 0.000 0.232 117 L C 0.315 177.202 176.870 0.028 0.000 1.150 117 L CA -0.130 54.722 54.840 0.020 0.000 0.917 117 L CB -0.511 41.559 42.059 0.019 0.000 1.104 117 L HN -0.004 nan 8.230 nan 0.000 0.445 118 L N -0.301 120.937 121.223 0.025 0.000 2.352 118 L HA 0.480 4.819 4.340 -0.002 0.000 0.269 118 L C -2.113 174.774 176.870 0.027 0.000 1.034 118 L CA -1.799 53.062 54.840 0.033 0.000 0.806 118 L CB 0.208 42.281 42.059 0.023 0.000 1.244 118 L HN -0.236 nan 8.230 nan 0.000 0.447 119 P HA 0.009 nan 4.420 nan 0.000 0.263 119 P C 0.123 177.396 177.300 -0.044 0.000 1.195 119 P CA 0.058 63.167 63.100 0.016 0.000 0.762 119 P CB 0.410 32.131 31.700 0.034 0.000 0.799 120 Q N 3.418 123.204 119.800 -0.023 0.000 2.234 120 Q HA -0.246 4.093 4.340 -0.002 0.000 0.206 120 Q C 1.223 177.189 176.000 -0.057 0.000 0.980 120 Q CA 1.624 57.411 55.803 -0.027 0.000 0.869 120 Q CB -0.046 28.689 28.738 -0.004 0.000 0.912 120 Q HN 0.485 nan 8.270 nan 0.000 0.436 121 E N -0.474 119.669 120.200 -0.095 0.000 2.118 121 E HA -0.193 4.156 4.350 -0.002 0.000 0.195 121 E C 1.971 178.395 176.600 -0.294 0.000 0.992 121 E CA 1.450 57.753 56.400 -0.161 0.000 0.804 121 E CB -0.119 29.460 29.700 -0.201 0.000 0.741 121 E HN 0.270 nan 8.360 nan 0.000 0.458 122 V N 0.760 120.453 119.914 -0.368 0.000 2.825 122 V HA -0.129 3.990 4.120 -0.002 0.000 0.246 122 V C 2.040 178.044 176.094 -0.151 0.000 1.068 122 V CA 1.065 63.165 62.300 -0.333 0.000 1.088 122 V CB 0.099 31.723 31.823 -0.333 0.000 0.733 122 V HN 0.170 nan 8.190 nan 0.000 0.468 123 Q N 0.005 119.746 119.800 -0.098 0.000 2.045 123 Q HA -0.266 4.073 4.340 -0.002 0.000 0.206 123 Q C 2.244 178.215 176.000 -0.050 0.000 0.991 123 Q CA 2.167 57.938 55.803 -0.052 0.000 0.851 123 Q CB -0.278 28.443 28.738 -0.029 0.000 0.911 123 Q HN 0.563 nan 8.270 nan 0.000 0.418 124 R N 0.283 120.759 120.500 -0.039 0.000 2.293 124 R HA -0.147 4.192 4.340 -0.002 0.000 0.219 124 R C 2.062 178.304 176.300 -0.097 0.000 1.091 124 R CA 0.714 56.814 56.100 -0.001 0.000 1.004 124 R CB -0.045 30.314 30.300 0.098 0.000 0.865 124 R HN 0.190 nan 8.270 nan 0.000 0.469 125 Q N 0.273 119.979 119.800 -0.157 0.000 2.172 125 Q HA -0.004 4.335 4.340 -0.002 0.000 0.200 125 Q C 0.271 176.170 176.000 -0.168 0.000 0.964 125 Q CA 1.265 56.927 55.803 -0.236 0.000 0.855 125 Q CB 0.413 29.044 28.738 -0.178 0.000 0.918 125 Q HN 0.409 nan 8.270 nan 0.000 0.444 126 G N 0.389 109.129 108.800 -0.099 0.000 2.858 126 G HA2 -0.167 3.792 3.960 -0.002 0.000 0.272 126 G HA3 -0.167 3.792 3.960 -0.002 0.000 0.272 126 G C -0.468 174.401 174.900 -0.051 0.000 1.003 126 G CA -0.101 44.960 45.100 -0.065 0.000 1.241 126 G HN 0.225 nan 8.290 nan 0.000 0.569 127 I N 1.124 121.671 120.570 -0.038 0.000 2.892 127 I HA 0.341 4.510 4.170 -0.002 0.000 0.287 127 I C 1.208 177.310 176.117 -0.026 0.000 1.205 127 I CA 0.181 61.464 61.300 -0.028 0.000 1.409 127 I CB 0.594 38.584 38.000 -0.017 0.000 1.367 127 I HN 0.626 nan 8.210 nan 0.000 0.597 128 R N 4.089 124.572 120.500 -0.028 0.000 2.514 128 R HA 0.612 4.951 4.340 -0.002 0.000 0.296 128 R C -2.009 174.280 176.300 -0.019 0.000 1.012 128 R CA -0.808 55.276 56.100 -0.026 0.000 0.897 128 R CB 1.219 31.491 30.300 -0.047 0.000 1.184 128 R HN 0.317 nan 8.270 nan 0.000 0.440 129 V N 3.186 123.096 119.914 -0.006 0.000 2.348 129 V HA 0.330 4.449 4.120 -0.002 0.000 0.270 129 V C 0.473 176.570 176.094 0.006 0.000 1.037 129 V CA -0.348 61.953 62.300 0.002 0.000 0.872 129 V CB 0.953 32.781 31.823 0.007 0.000 1.002 129 V HN 0.970 nan 8.190 nan 0.000 0.464 130 T N 1.354 115.912 114.554 0.007 0.000 2.940 130 T HA 0.610 4.959 4.350 -0.002 0.000 0.288 130 T C -0.120 174.591 174.700 0.019 0.000 1.033 130 T CA -0.961 61.148 62.100 0.015 0.000 1.033 130 T CB 1.923 70.799 68.868 0.014 0.000 1.079 130 T HN 0.734 nan 8.240 nan 0.000 0.496 131 K N 0.707 121.117 120.400 0.017 0.000 3.205 131 K HA 0.660 4.979 4.320 -0.002 0.000 0.202 131 K C 0.223 176.836 176.600 0.022 0.000 1.160 131 K CA -0.900 55.393 56.287 0.010 0.000 0.995 131 K CB 0.448 32.936 32.500 -0.021 0.000 1.041 131 K HN 0.630 nan 8.250 nan 0.000 0.507 132 A N 0.602 123.443 122.820 0.036 0.000 2.529 132 A HA 0.573 4.892 4.320 -0.002 0.000 0.269 132 A C -0.468 177.143 177.584 0.044 0.000 1.509 132 A CA -0.622 51.444 52.037 0.048 0.000 0.857 132 A CB 0.866 19.905 19.000 0.065 0.000 1.531 132 A HN 0.261 nan 8.150 nan 0.000 0.541 133 V N -0.719 119.226 119.914 0.052 0.000 2.680 133 V HA 0.355 4.474 4.120 -0.002 0.000 0.309 133 V C 1.200 177.311 176.094 0.028 0.000 1.052 133 V CA -0.330 61.998 62.300 0.047 0.000 0.908 133 V CB 1.428 33.287 31.823 0.059 0.000 1.001 133 V HN 1.007 nan 8.190 nan 0.000 0.431 134 K N 3.403 123.813 120.400 0.017 0.000 2.108 134 K HA -0.284 4.035 4.320 -0.002 0.000 0.217 134 K C 0.634 177.181 176.600 -0.089 0.000 0.846 134 K CA 2.943 59.216 56.287 -0.022 0.000 1.014 134 K CB -0.329 32.173 32.500 0.004 0.000 0.896 134 K HN 0.984 nan 8.250 nan 0.000 0.552 135 N N -0.597 118.084 118.700 -0.032 0.000 2.482 135 N HA 0.130 4.868 4.740 -0.002 0.000 0.279 135 N C -0.673 174.894 175.510 0.096 0.000 1.182 135 N CA -0.451 52.580 53.050 -0.032 0.000 0.969 135 N CB 0.288 38.834 38.487 0.098 0.000 1.201 135 N HN -0.074 nan 8.380 nan 0.000 0.523 136 F N 0.496 120.629 119.950 0.307 0.000 2.538 136 F HA 0.129 4.655 4.527 -0.002 0.000 0.371 136 F C 1.514 177.546 175.800 0.387 0.000 1.087 136 F CA -0.826 57.396 58.000 0.370 0.000 1.250 136 F CB 0.383 39.688 39.000 0.508 0.000 1.110 136 F HN 0.531 nan 8.300 nan 0.000 0.570 137 L N 4.686 126.179 121.223 0.451 0.000 2.095 137 L HA 0.163 4.502 4.340 -0.002 0.000 0.204 137 L C 0.264 177.242 176.870 0.180 0.000 1.080 137 L CA 1.431 56.428 54.840 0.262 0.000 0.759 137 L CB -0.227 41.936 42.059 0.173 0.000 0.914 137 L HN 0.731 nan 8.230 nan 0.000 0.439 138 M N -3.060 116.664 119.600 0.207 0.000 3.196 138 M HA 0.459 4.938 4.480 -0.002 0.000 0.279 138 M C -1.647 174.678 176.300 0.041 0.000 1.173 138 M CA -0.850 54.505 55.300 0.092 0.000 0.820 138 M CB 1.712 34.329 32.600 0.028 0.000 1.621 138 M HN -0.345 nan 8.290 nan 0.000 0.521 139 V N 2.047 121.921 119.914 -0.067 0.000 2.612 139 V HA 0.700 4.819 4.120 -0.002 0.000 0.301 139 V C -1.250 174.671 176.094 -0.288 0.000 1.059 139 V CA -0.587 61.560 62.300 -0.255 0.000 0.886 139 V CB 2.102 33.629 31.823 -0.494 0.000 1.007 139 V HN 0.937 nan 8.190 nan 0.000 0.426 140 V N 5.105 124.851 119.914 -0.280 0.000 2.427 140 V HA 0.791 4.910 4.120 -0.002 0.000 0.268 140 V C 0.961 176.816 176.094 -0.398 0.000 1.046 140 V CA 0.376 62.430 62.300 -0.410 0.000 0.970 140 V CB 0.344 31.973 31.823 -0.324 0.000 1.001 140 V HN 0.979 nan 8.190 nan 0.000 0.476 141 G N 3.083 111.597 108.800 -0.478 0.000 2.461 141 G HA2 0.640 4.599 3.960 -0.002 0.000 0.329 141 G HA3 0.640 4.599 3.960 -0.002 0.000 0.329 141 G C -1.063 173.703 174.900 -0.224 0.000 1.170 141 G CA -0.738 44.160 45.100 -0.336 0.000 0.935 141 G HN 0.713 nan 8.290 nan 0.000 0.492 142 V N 0.237 120.108 119.914 -0.070 0.000 2.709 142 V HA 0.625 4.744 4.120 -0.002 0.000 0.308 142 V C -0.639 175.479 176.094 0.040 0.000 1.062 142 V CA -0.485 61.806 62.300 -0.014 0.000 0.901 142 V CB 1.985 33.840 31.823 0.053 0.000 1.003 142 V HN 0.586 nan 8.190 nan 0.000 0.425 143 V N 2.861 122.797 119.914 0.038 0.000 2.888 143 V HA 0.508 4.627 4.120 -0.002 0.000 0.309 143 V C -0.264 175.860 176.094 0.049 0.000 1.114 143 V CA -0.555 61.793 62.300 0.080 0.000 0.940 143 V CB 2.454 34.364 31.823 0.145 0.000 1.021 143 V HN 0.802 nan 8.190 nan 0.000 0.426 144 S N 1.500 117.229 115.700 0.048 0.000 2.457 144 S HA 0.296 4.765 4.470 -0.002 0.000 0.289 144 S C 1.381 176.004 174.600 0.037 0.000 1.163 144 S CA 0.162 58.377 58.200 0.025 0.000 1.078 144 S CB 1.285 64.495 63.200 0.016 0.000 0.987 144 S HN 1.069 nan 8.310 nan 0.000 0.482 145 T N 2.274 116.845 114.554 0.029 0.000 2.652 145 T HA -0.087 4.262 4.350 -0.002 0.000 0.267 145 T C 0.320 175.037 174.700 0.028 0.000 1.039 145 T CA 1.039 63.158 62.100 0.033 0.000 1.153 145 T CB -0.551 68.332 68.868 0.025 0.000 0.863 145 T HN 0.535 nan 8.240 nan 0.000 0.428 146 D N 1.197 121.609 120.400 0.020 0.000 2.313 146 D HA 0.459 5.098 4.640 -0.002 0.000 0.247 146 D C 1.426 177.740 176.300 0.024 0.000 1.094 146 D CA 0.065 54.077 54.000 0.019 0.000 0.925 146 D CB 0.918 41.727 40.800 0.014 0.000 1.188 146 D HN 0.310 nan 8.370 nan 0.000 0.430 147 G N 0.751 109.566 108.800 0.026 0.000 2.615 147 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.213 147 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.213 147 G C 1.413 176.332 174.900 0.031 0.000 1.135 147 G CA 0.592 45.710 45.100 0.030 0.000 0.772 147 G HN 0.387 nan 8.290 nan 0.000 0.542 148 S N 0.488 116.203 115.700 0.026 0.000 2.452 148 S HA -0.196 4.272 4.470 -0.002 0.000 0.253 148 S C 1.314 175.935 174.600 0.035 0.000 1.061 148 S CA 1.035 59.250 58.200 0.025 0.000 1.273 148 S CB -0.262 62.946 63.200 0.014 0.000 1.191 148 S HN 0.418 nan 8.310 nan 0.000 0.430 149 M N 0.867 120.485 119.600 0.031 0.000 2.274 149 M HA 0.289 4.768 4.480 -0.002 0.000 0.344 149 M C 0.309 176.643 176.300 0.057 0.000 1.161 149 M CA 0.008 55.334 55.300 0.044 0.000 1.126 149 M CB 1.448 34.061 32.600 0.021 0.000 1.522 149 M HN 0.251 nan 8.290 nan 0.000 0.461 150 T N -0.092 114.509 114.554 0.078 0.000 2.938 150 T HA 0.249 4.598 4.350 -0.002 0.000 0.285 150 T C 0.860 175.613 174.700 0.088 0.000 1.028 150 T CA -0.622 61.528 62.100 0.082 0.000 1.005 150 T CB 1.404 70.328 68.868 0.093 0.000 1.157 150 T HN 0.736 nan 8.240 nan 0.000 0.550 151 K N 1.267 121.718 120.400 0.085 0.000 2.071 151 K HA -0.209 4.110 4.320 -0.002 0.000 0.217 151 K C 1.650 178.304 176.600 0.090 0.000 1.054 151 K CA 2.625 58.963 56.287 0.084 0.000 0.937 151 K CB -0.513 32.034 32.500 0.078 0.000 0.719 151 K HN 0.636 nan 8.250 nan 0.000 0.454 152 E N 0.409 120.678 120.200 0.116 0.000 2.107 152 E HA -0.079 4.270 4.350 -0.002 0.000 0.191 152 E C 1.820 178.483 176.600 0.106 0.000 0.982 152 E CA 1.331 57.811 56.400 0.133 0.000 0.809 152 E CB -0.274 29.561 29.700 0.225 0.000 0.756 152 E HN 0.405 nan 8.360 nan 0.000 0.459 153 D N 0.501 120.986 120.400 0.142 0.000 2.092 153 D HA -0.157 4.482 4.640 -0.002 0.000 0.193 153 D C 2.005 178.323 176.300 0.030 0.000 0.994 153 D CA 0.957 55.025 54.000 0.114 0.000 0.828 153 D CB -0.335 40.542 40.800 0.128 0.000 0.963 153 D HN 0.143 nan 8.370 nan 0.000 0.450 154 L N 0.367 121.623 121.223 0.055 0.000 1.955 154 L HA -0.205 4.133 4.340 -0.002 0.000 0.213 154 L C 2.611 179.524 176.870 0.073 0.000 1.072 154 L CA 1.332 56.218 54.840 0.077 0.000 0.755 154 L CB -0.932 41.175 42.059 0.080 0.000 0.888 154 L HN 0.018 nan 8.230 nan 0.000 0.432 155 S N 0.462 116.184 115.700 0.035 0.000 2.389 155 S HA -0.340 4.129 4.470 -0.002 0.000 0.229 155 S C 2.011 176.565 174.600 -0.077 0.000 1.048 155 S CA 2.322 60.521 58.200 -0.001 0.000 1.117 155 S CB -0.663 62.539 63.200 0.004 0.000 1.020 155 S HN 0.576 nan 8.310 nan 0.000 0.430 156 N N -0.491 118.096 118.700 -0.190 0.000 2.091 156 N HA -0.241 4.498 4.740 -0.002 0.000 0.193 156 N C 1.788 177.176 175.510 -0.204 0.000 1.021 156 N CA 2.113 54.957 53.050 -0.342 0.000 0.862 156 N CB -0.620 37.288 38.487 -0.964 0.000 1.018 156 N HN 0.691 nan 8.380 nan 0.000 0.429 157 Y N 1.502 121.675 120.300 -0.212 0.000 2.070 157 Y HA -0.147 4.401 4.550 -0.002 0.000 0.279 157 Y C 2.555 178.392 175.900 -0.105 0.000 1.134 157 Y CA 1.277 59.299 58.100 -0.130 0.000 1.113 157 Y CB -0.689 37.722 38.460 -0.081 0.000 0.981 157 Y HN -0.062 nan 8.280 nan 0.000 0.487 158 I N -0.094 120.374 120.570 -0.169 0.000 2.151 158 I HA -0.420 3.749 4.170 -0.002 0.000 0.236 158 I C 2.404 178.341 176.117 -0.300 0.000 1.000 158 I CA 1.993 63.147 61.300 -0.243 0.000 1.285 158 I CB -1.579 36.372 38.000 -0.081 0.000 0.994 158 I HN 0.247 nan 8.210 nan 0.000 0.396 159 V N 1.314 121.108 119.914 -0.200 0.000 2.220 159 V HA -0.326 3.793 4.120 -0.002 0.000 0.242 159 V C 2.627 178.599 176.094 -0.204 0.000 1.041 159 V CA 2.743 64.944 62.300 -0.164 0.000 0.990 159 V CB -1.185 30.576 31.823 -0.103 0.000 0.634 159 V HN 0.663 nan 8.190 nan 0.000 0.452 160 S N 0.509 116.093 115.700 -0.194 0.000 2.400 160 S HA -0.280 4.189 4.470 -0.002 0.000 0.234 160 S C 1.552 176.019 174.600 -0.222 0.000 1.049 160 S CA 2.139 60.234 58.200 -0.175 0.000 1.039 160 S CB -0.603 62.514 63.200 -0.139 0.000 0.856 160 S HN 0.677 nan 8.310 nan 0.000 0.465 161 N N 1.297 119.789 118.700 -0.346 0.000 2.476 161 N HA 0.352 5.091 4.740 -0.002 0.000 0.234 161 N C 1.866 177.171 175.510 -0.342 0.000 1.035 161 N CA 0.705 53.535 53.050 -0.367 0.000 1.194 161 N CB -0.748 37.425 38.487 -0.524 0.000 1.542 161 N HN 0.261 nan 8.380 nan 0.000 0.628 162 I N 2.127 122.441 120.570 -0.428 0.000 2.182 162 I HA -0.376 3.793 4.170 -0.002 0.000 0.248 162 I C 2.729 178.681 176.117 -0.275 0.000 1.073 162 I CA 1.445 62.563 61.300 -0.303 0.000 1.335 162 I CB -0.253 37.571 38.000 -0.293 0.000 1.031 162 I HN 0.372 nan 8.210 nan 0.000 0.420 163 Q N 0.801 120.428 119.800 -0.289 0.000 2.030 163 Q HA -0.277 4.061 4.340 -0.002 0.000 0.204 163 Q C 1.743 177.504 176.000 -0.399 0.000 0.986 163 Q CA 2.471 58.074 55.803 -0.333 0.000 0.843 163 Q CB -0.050 28.546 28.738 -0.236 0.000 0.904 163 Q HN 0.491 nan 8.270 nan 0.000 0.420 164 D N 0.031 120.260 120.400 -0.285 0.000 2.084 164 D HA -0.116 4.523 4.640 -0.002 0.000 0.194 164 D C -0.935 175.225 176.300 -0.233 0.000 0.990 164 D CA 1.448 55.301 54.000 -0.246 0.000 0.826 164 D CB -1.313 39.388 40.800 -0.166 0.000 0.971 164 D HN 0.336 nan 8.370 nan 0.000 0.453 165 P HA -0.142 nan 4.420 nan 0.000 0.214 165 P C 1.478 178.674 177.300 -0.173 0.000 1.163 165 P CA 0.762 63.765 63.100 -0.161 0.000 0.889 165 P CB 0.078 31.693 31.700 -0.142 0.000 0.790 166 L N -0.129 120.963 121.223 -0.219 0.000 2.042 166 L HA -0.149 4.190 4.340 -0.002 0.000 0.210 166 L C 2.244 178.956 176.870 -0.265 0.000 1.076 166 L CA 2.551 57.257 54.840 -0.223 0.000 0.749 166 L CB -2.159 39.743 42.059 -0.260 0.000 0.893 166 L HN 0.119 nan 8.230 nan 0.000 0.432 167 S N -1.593 113.866 115.700 -0.401 0.000 2.561 167 S HA -0.049 4.420 4.470 -0.002 0.000 0.225 167 S C 1.730 176.226 174.600 -0.173 0.000 0.977 167 S CA 0.270 58.230 58.200 -0.401 0.000 0.926 167 S CB -0.132 62.672 63.200 -0.661 0.000 0.769 167 S HN 0.432 nan 8.310 nan 0.000 0.533 168 R N 0.367 120.779 120.500 -0.147 0.000 2.508 168 R HA 0.226 4.565 4.340 -0.002 0.000 0.300 168 R C -0.365 175.895 176.300 -0.066 0.000 0.970 168 R CA -0.032 56.017 56.100 -0.086 0.000 1.102 168 R CB 0.578 30.829 30.300 -0.082 0.000 1.246 168 R HN 0.257 nan 8.270 nan 0.000 0.539 169 T N 1.855 116.364 114.554 -0.074 0.000 2.901 169 T HA 0.026 4.375 4.350 -0.002 0.000 0.301 169 T C 0.056 174.739 174.700 -0.029 0.000 1.012 169 T CA 0.044 62.115 62.100 -0.049 0.000 1.135 169 T CB 0.980 69.817 68.868 -0.052 0.000 0.936 169 T HN -0.083 nan 8.240 nan 0.000 0.539 170 K N 2.012 122.401 120.400 -0.018 0.000 2.472 170 K HA 0.291 4.609 4.320 -0.002 0.000 0.280 170 K C 1.288 177.888 176.600 0.000 0.000 1.028 170 K CA 1.210 57.492 56.287 -0.008 0.000 1.045 170 K CB -0.535 31.961 32.500 -0.006 0.000 0.902 170 K HN 0.782 nan 8.250 nan 0.000 0.478 171 G N 2.025 110.830 108.800 0.008 0.000 2.284 171 G HA2 -0.258 3.700 3.960 -0.002 0.000 0.216 171 G HA3 -0.258 3.700 3.960 -0.002 0.000 0.216 171 G C -0.081 174.838 174.900 0.032 0.000 1.009 171 G CA -0.118 44.993 45.100 0.019 0.000 0.625 171 G HN 1.123 nan 8.290 nan 0.000 0.501 172 V N 1.027 120.957 119.914 0.028 0.000 2.488 172 V HA 0.773 4.892 4.120 -0.002 0.000 0.277 172 V C 1.095 177.230 176.094 0.068 0.000 1.046 172 V CA 1.165 63.496 62.300 0.051 0.000 0.986 172 V CB 1.312 33.153 31.823 0.031 0.000 0.989 172 V HN 1.127 nan 8.190 nan 0.000 0.475 173 G N 3.942 112.798 108.800 0.094 0.000 2.944 173 G HA2 0.331 4.290 3.960 -0.002 0.000 0.220 173 G HA3 0.331 4.290 3.960 -0.002 0.000 0.220 173 G C -0.074 174.902 174.900 0.126 0.000 1.100 173 G CA 0.523 45.676 45.100 0.090 0.000 0.780 173 G HN 0.789 nan 8.290 nan 0.000 0.539 174 D N -1.046 119.459 120.400 0.175 0.000 2.653 174 D HA 0.539 5.178 4.640 -0.002 0.000 0.258 174 D C -1.577 174.899 176.300 0.293 0.000 1.252 174 D CA -0.692 53.420 54.000 0.186 0.000 0.777 174 D CB 1.821 42.664 40.800 0.072 0.000 1.339 174 D HN 0.061 nan 8.370 nan 0.000 0.422 175 F N -0.261 119.696 119.950 0.011 0.000 2.665 175 F HA 0.585 5.111 4.527 -0.002 0.000 0.308 175 F C -1.593 174.157 175.800 -0.084 0.000 1.112 175 F CA -0.897 57.082 58.000 -0.035 0.000 0.972 175 F CB 1.562 40.513 39.000 -0.082 0.000 1.295 175 F HN 0.211 nan 8.300 nan 0.000 0.440 176 Q N 3.190 122.896 119.800 -0.158 0.000 2.304 176 Q HA 0.642 4.981 4.340 -0.002 0.000 0.270 176 Q C -2.224 173.455 176.000 -0.535 0.000 1.035 176 Q CA -0.994 54.591 55.803 -0.363 0.000 0.781 176 Q CB 2.829 31.372 28.738 -0.325 0.000 1.261 176 Q HN 0.972 nan 8.270 nan 0.000 0.444 177 V N 5.105 124.794 119.914 -0.376 0.000 2.567 177 V HA 0.426 4.545 4.120 -0.002 0.000 0.289 177 V C -1.048 174.824 176.094 -0.370 0.000 1.049 177 V CA -0.330 61.759 62.300 -0.351 0.000 0.969 177 V CB 0.673 32.430 31.823 -0.111 0.000 0.995 177 V HN 0.783 nan 8.190 nan 0.000 0.471 178 F N 6.686 126.621 119.950 -0.024 0.000 2.467 178 F HA 0.790 5.316 4.527 -0.002 0.000 0.349 178 F C 0.924 176.734 175.800 0.017 0.000 1.182 178 F CA 0.099 58.106 58.000 0.011 0.000 1.279 178 F CB 0.231 39.299 39.000 0.112 0.000 1.626 178 F HN 0.867 nan 8.300 nan 0.000 0.596 179 G N -0.089 108.785 108.800 0.124 0.000 2.350 179 G HA2 0.352 4.311 3.960 -0.002 0.000 0.282 179 G HA3 0.352 4.311 3.960 -0.002 0.000 0.282 179 G C -1.388 173.509 174.900 -0.005 0.000 1.314 179 G CA -0.890 44.244 45.100 0.057 0.000 0.915 179 G HN 0.264 nan 8.290 nan 0.000 0.499 180 S N -0.364 115.314 115.700 -0.037 0.000 2.667 180 S HA 0.715 5.184 4.470 -0.002 0.000 0.292 180 S C -0.389 174.169 174.600 -0.070 0.000 1.126 180 S CA -0.631 57.537 58.200 -0.054 0.000 0.881 180 S CB 1.890 65.038 63.200 -0.087 0.000 1.132 180 S HN 0.997 nan 8.310 nan 0.000 0.492 181 Q N 0.533 120.301 119.800 -0.053 0.000 2.199 181 Q HA 0.340 4.679 4.340 -0.002 0.000 0.232 181 Q C -0.940 175.076 176.000 0.027 0.000 0.969 181 Q CA -0.291 55.457 55.803 -0.092 0.000 0.925 181 Q CB 0.086 28.781 28.738 -0.072 0.000 1.198 181 Q HN 0.624 nan 8.270 nan 0.000 0.494 182 Y N 0.824 121.158 120.300 0.057 0.000 2.379 182 Y HA 0.188 4.736 4.550 -0.002 0.000 0.354 182 Y C 0.838 176.845 175.900 0.177 0.000 1.269 182 Y CA 0.474 58.635 58.100 0.101 0.000 1.532 182 Y CB 0.393 38.936 38.460 0.139 0.000 1.371 182 Y HN 0.821 nan 8.280 nan 0.000 0.666 183 S N 0.082 116.027 115.700 0.408 0.000 2.587 183 S HA 0.473 4.942 4.470 -0.002 0.000 0.269 183 S C -1.219 173.391 174.600 0.017 0.000 1.154 183 S CA -1.211 57.228 58.200 0.399 0.000 0.824 183 S CB 1.362 64.778 63.200 0.361 0.000 1.118 183 S HN 0.372 nan 8.310 nan 0.000 0.462 184 M N 2.577 121.884 119.600 -0.490 0.000 2.194 184 M HA 0.469 4.948 4.480 -0.002 0.000 0.347 184 M C -0.437 175.518 176.300 -0.576 0.000 1.439 184 M CA -0.578 54.156 55.300 -0.944 0.000 1.131 184 M CB -0.235 31.230 32.600 -1.891 0.000 1.733 184 M HN 0.577 nan 8.290 nan 0.000 0.467 185 R N 4.599 124.809 120.500 -0.482 0.000 2.229 185 R HA 0.438 4.777 4.340 -0.002 0.000 0.332 185 R C -1.125 174.769 176.300 -0.676 0.000 0.989 185 R CA -0.586 55.172 56.100 -0.569 0.000 0.842 185 R CB 0.263 30.268 30.300 -0.491 0.000 1.119 185 R HN 0.535 nan 8.270 nan 0.000 0.456 186 I N 3.796 123.973 120.570 -0.654 0.000 2.371 186 I HA 0.225 4.394 4.170 -0.002 0.000 0.282 186 I C -0.438 175.455 176.117 -0.374 0.000 1.031 186 I CA -0.808 60.246 61.300 -0.410 0.000 1.180 186 I CB 0.591 38.452 38.000 -0.232 0.000 1.336 186 I HN 0.414 nan 8.210 nan 0.000 0.467 187 W N 7.591 128.890 121.300 -0.001 0.000 2.226 187 W HA 0.428 5.087 4.660 -0.001 0.000 0.379 187 W C 0.035 176.572 176.519 0.030 0.000 0.923 187 W CA -0.692 56.663 57.345 0.016 0.000 1.524 187 W CB 0.282 29.741 29.460 -0.001 0.000 1.552 187 W HN 0.238 nan 8.180 nan 0.000 0.337 188 L N 2.510 123.898 121.223 0.275 0.000 2.483 188 L HA 0.067 4.406 4.340 -0.002 0.000 0.275 188 L C 0.100 177.089 176.870 0.198 0.000 1.220 188 L CA 0.696 55.669 54.840 0.222 0.000 0.833 188 L CB 0.424 42.647 42.059 0.273 0.000 1.102 188 L HN 0.277 nan 8.230 nan 0.000 0.490 189 D N 1.412 121.836 120.400 0.041 0.000 2.479 189 D HA 0.280 4.919 4.640 -0.002 0.000 0.246 189 D C -1.979 174.168 176.300 -0.254 0.000 1.336 189 D CA -1.270 52.662 54.000 -0.115 0.000 0.967 189 D CB 1.827 42.596 40.800 -0.051 0.000 1.275 189 D HN 0.067 nan 8.370 nan 0.000 0.577 190 P HA -0.012 nan 4.420 nan 0.000 0.223 190 P C 0.956 178.114 177.300 -0.237 0.000 1.151 190 P CA 0.377 63.162 63.100 -0.524 0.000 0.787 190 P CB 0.149 31.219 31.700 -1.051 0.000 0.788 191 A N -0.518 122.173 122.820 -0.215 0.000 2.277 191 A HA -0.112 4.206 4.320 -0.002 0.000 0.208 191 A C 1.747 179.300 177.584 -0.051 0.000 1.202 191 A CA 1.220 53.191 52.037 -0.110 0.000 0.762 191 A CB -0.691 18.252 19.000 -0.095 0.000 0.770 191 A HN 0.157 nan 8.150 nan 0.000 0.487 192 K N -1.665 118.712 120.400 -0.038 0.000 2.735 192 K HA 0.230 4.549 4.320 -0.002 0.000 0.197 192 K C 1.450 178.108 176.600 0.097 0.000 1.468 192 K CA -0.092 56.234 56.287 0.065 0.000 1.109 192 K CB -0.530 31.979 32.500 0.015 0.000 1.732 192 K HN 0.258 nan 8.250 nan 0.000 0.541 193 L N 2.691 123.918 121.223 0.007 0.000 2.034 193 L HA -0.279 4.060 4.340 -0.002 0.000 0.217 193 L C 2.250 179.154 176.870 0.056 0.000 1.077 193 L CA 1.944 56.805 54.840 0.036 0.000 0.769 193 L CB -1.342 40.748 42.059 0.051 0.000 0.890 193 L HN 0.488 nan 8.230 nan 0.000 0.435 194 N N -0.442 118.241 118.700 -0.028 0.000 2.013 194 N HA -0.208 4.531 4.740 -0.002 0.000 0.195 194 N C 1.952 177.401 175.510 -0.102 0.000 1.051 194 N CA 2.042 54.990 53.050 -0.170 0.000 0.851 194 N CB 0.171 38.413 38.487 -0.408 0.000 1.044 194 N HN 0.369 nan 8.380 nan 0.000 0.422 195 S N 0.508 116.182 115.700 -0.042 0.000 2.404 195 S HA -0.248 4.221 4.470 -0.002 0.000 0.230 195 S C 1.556 176.113 174.600 -0.071 0.000 1.046 195 S CA 1.662 59.813 58.200 -0.082 0.000 1.135 195 S CB -1.449 61.684 63.200 -0.111 0.000 1.056 195 S HN 0.515 nan 8.310 nan 0.000 0.426 196 Y N 3.559 123.826 120.300 -0.055 0.000 2.542 196 Y HA 0.133 4.681 4.550 -0.002 0.000 0.326 196 Y C 0.574 176.457 175.900 -0.028 0.000 1.218 196 Y CA -0.002 58.078 58.100 -0.034 0.000 1.277 196 Y CB -1.399 37.049 38.460 -0.021 0.000 1.064 196 Y HN 0.388 nan 8.280 nan 0.000 0.499 197 Q N -0.294 119.558 119.800 0.087 0.000 2.439 197 Q HA -0.214 4.125 4.340 -0.002 0.000 0.361 197 Q C -1.172 174.876 176.000 0.079 0.000 1.408 197 Q CA 0.388 56.219 55.803 0.047 0.000 1.052 197 Q CB -2.162 26.589 28.738 0.022 0.000 1.233 197 Q HN 0.595 nan 8.270 nan 0.000 0.347 198 L N 0.706 121.984 121.223 0.092 0.000 2.371 198 L HA 0.736 5.075 4.340 -0.002 0.000 0.262 198 L C 0.318 177.255 176.870 0.111 0.000 1.006 198 L CA -0.608 54.285 54.840 0.088 0.000 0.818 198 L CB 2.351 44.449 42.059 0.066 0.000 1.354 198 L HN 0.458 nan 8.230 nan 0.000 0.415 199 T N -2.359 112.260 114.554 0.109 0.000 2.908 199 T HA 0.451 4.800 4.350 -0.002 0.000 0.290 199 T C -2.346 172.424 174.700 0.117 0.000 1.034 199 T CA -2.031 60.155 62.100 0.143 0.000 1.010 199 T CB 2.104 71.053 68.868 0.135 0.000 1.068 199 T HN 0.222 nan 8.240 nan 0.000 0.481 200 P HA -0.060 nan 4.420 nan 0.000 0.216 200 P C 1.870 179.200 177.300 0.050 0.000 1.153 200 P CA 1.619 64.770 63.100 0.086 0.000 0.858 200 P CB -0.404 31.326 31.700 0.050 0.000 0.789 201 G N 0.020 108.852 108.800 0.053 0.000 2.513 201 G HA2 -0.301 3.657 3.960 -0.002 0.000 0.219 201 G HA3 -0.301 3.657 3.960 -0.002 0.000 0.219 201 G C 1.314 176.232 174.900 0.030 0.000 1.160 201 G CA 1.247 46.370 45.100 0.039 0.000 0.767 201 G HN 0.198 nan 8.290 nan 0.000 0.571 202 D N 0.140 120.563 120.400 0.039 0.000 2.144 202 D HA -0.075 4.563 4.640 -0.002 0.000 0.199 202 D C 2.719 179.028 176.300 0.015 0.000 0.984 202 D CA 0.883 54.899 54.000 0.027 0.000 0.834 202 D CB -0.344 40.477 40.800 0.035 0.000 0.955 202 D HN 0.252 nan 8.370 nan 0.000 0.465 203 V N 1.050 120.975 119.914 0.019 0.000 2.259 203 V HA -0.275 3.844 4.120 -0.002 0.000 0.229 203 V C 2.382 178.475 176.094 -0.002 0.000 1.012 203 V CA 1.821 64.125 62.300 0.006 0.000 0.995 203 V CB -1.301 30.530 31.823 0.012 0.000 0.645 203 V HN 0.264 nan 8.190 nan 0.000 0.468 204 S N 1.412 117.108 115.700 -0.006 0.000 2.456 204 S HA -0.449 4.020 4.470 -0.002 0.000 0.359 204 S C 2.112 176.699 174.600 -0.021 0.000 1.227 204 S CA 4.190 62.378 58.200 -0.019 0.000 1.598 204 S CB -1.435 61.756 63.200 -0.015 0.000 1.444 204 S HN 1.090 nan 8.310 nan 0.000 0.483 205 S N 2.525 118.217 115.700 -0.013 0.000 2.413 205 S HA -0.136 4.333 4.470 -0.002 0.000 0.237 205 S C 2.089 176.678 174.600 -0.018 0.000 1.044 205 S CA 2.077 60.269 58.200 -0.014 0.000 1.024 205 S CB -1.467 61.730 63.200 -0.005 0.000 0.829 205 S HN 1.195 nan 8.310 nan 0.000 0.475 206 A N 2.944 125.754 122.820 -0.017 0.000 1.841 206 A HA 0.064 4.383 4.320 -0.002 0.000 0.214 206 A C 2.312 179.878 177.584 -0.030 0.000 1.195 206 A CA 1.512 53.536 52.037 -0.023 0.000 0.611 206 A CB -0.806 18.182 19.000 -0.020 0.000 0.835 206 A HN 0.541 nan 8.150 nan 0.000 0.443 207 I N -0.067 120.489 120.570 -0.022 0.000 2.194 207 I HA -0.323 3.846 4.170 -0.002 0.000 0.246 207 I C 2.308 178.405 176.117 -0.033 0.000 1.093 207 I CA 1.728 63.019 61.300 -0.015 0.000 1.355 207 I CB -1.872 36.135 38.000 0.011 0.000 1.046 207 I HN 0.483 nan 8.210 nan 0.000 0.413 208 Q N 0.581 120.358 119.800 -0.038 0.000 2.364 208 Q HA -0.053 4.285 4.340 -0.002 0.000 0.209 208 Q C 1.984 177.960 176.000 -0.040 0.000 0.977 208 Q CA 1.480 57.256 55.803 -0.045 0.000 0.885 208 Q CB -0.044 28.668 28.738 -0.043 0.000 0.941 208 Q HN 0.663 nan 8.270 nan 0.000 0.464 209 A N -0.541 122.255 122.820 -0.040 0.000 2.287 209 A HA 0.091 4.410 4.320 -0.002 0.000 0.214 209 A C 1.476 179.029 177.584 -0.051 0.000 1.228 209 A CA -0.114 51.900 52.037 -0.039 0.000 0.939 209 A CB 0.560 19.541 19.000 -0.031 0.000 0.992 209 A HN 0.142 nan 8.150 nan 0.000 0.502 210 Q N -0.942 118.818 119.800 -0.067 0.000 2.280 210 Q HA 0.107 4.446 4.340 -0.002 0.000 0.228 210 Q C 0.051 175.966 176.000 -0.142 0.000 0.857 210 Q CA 0.072 55.818 55.803 -0.095 0.000 0.939 210 Q CB 0.378 29.055 28.738 -0.100 0.000 1.114 210 Q HN 0.452 nan 8.270 nan 0.000 0.514 211 N N 0.793 119.416 118.700 -0.128 0.000 2.908 211 N HA 0.166 4.905 4.740 -0.002 0.000 0.316 211 N C -1.649 173.824 175.510 -0.062 0.000 1.619 211 N CA -0.020 52.941 53.050 -0.148 0.000 1.045 211 N CB 0.654 39.055 38.487 -0.143 0.000 1.357 211 N HN -0.188 nan 8.380 nan 0.000 0.501 212 V N 1.192 121.071 119.914 -0.059 0.000 2.628 212 V HA 0.386 4.505 4.120 -0.002 0.000 0.306 212 V C -0.137 175.940 176.094 -0.028 0.000 1.045 212 V CA -0.829 61.449 62.300 -0.036 0.000 0.905 212 V CB 1.860 33.661 31.823 -0.036 0.000 0.997 212 V HN 0.286 nan 8.190 nan 0.000 0.436 213 Q N 3.266 123.056 119.800 -0.016 0.000 2.360 213 Q HA 0.547 4.886 4.340 -0.002 0.000 0.254 213 Q C -1.112 174.879 176.000 -0.015 0.000 0.975 213 Q CA 0.033 55.828 55.803 -0.013 0.000 0.912 213 Q CB 1.193 29.928 28.738 -0.006 0.000 1.212 213 Q HN 0.655 nan 8.270 nan 0.000 0.452 214 I N 2.174 122.734 120.570 -0.016 0.000 2.460 214 I HA 0.332 4.501 4.170 -0.002 0.000 0.298 214 I C -0.513 175.596 176.117 -0.013 0.000 0.989 214 I CA -0.110 61.181 61.300 -0.016 0.000 1.173 214 I CB 2.077 40.066 38.000 -0.018 0.000 1.338 214 I HN 0.604 nan 8.210 nan 0.000 0.456 215 S N 4.492 120.185 115.700 -0.012 0.000 2.498 215 S HA 0.147 4.616 4.470 -0.002 0.000 0.314 215 S C 1.030 175.624 174.600 -0.010 0.000 1.141 215 S CA 0.200 58.394 58.200 -0.010 0.000 1.087 215 S CB -0.249 62.945 63.200 -0.009 0.000 1.178 215 S HN 0.758 nan 8.310 nan 0.000 0.533 216 S N 4.941 120.634 115.700 -0.010 0.000 2.294 216 S HA 0.666 5.135 4.470 -0.002 0.000 0.203 216 S C 1.205 175.800 174.600 -0.008 0.000 1.022 216 S CA 0.245 58.439 58.200 -0.010 0.000 0.955 216 S CB -1.019 62.174 63.200 -0.010 0.000 0.943 216 S HN 1.378 nan 8.310 nan 0.000 0.472 217 G N 0.500 109.295 108.800 -0.008 0.000 2.339 217 G HA2 0.415 4.374 3.960 -0.002 0.000 0.275 217 G HA3 0.415 4.374 3.960 -0.002 0.000 0.275 217 G C -2.234 172.662 174.900 -0.007 0.000 1.323 217 G CA -0.352 44.744 45.100 -0.007 0.000 0.927 217 G HN 0.870 nan 8.290 nan 0.000 0.486 218 Q N -0.953 118.843 119.800 -0.006 0.000 2.416 218 Q HA 0.682 5.021 4.340 -0.002 0.000 0.281 218 Q C 0.152 176.149 176.000 -0.005 0.000 1.067 218 Q CA -1.042 54.758 55.803 -0.006 0.000 0.809 218 Q CB 1.977 30.712 28.738 -0.005 0.000 1.418 218 Q HN 0.458 nan 8.270 nan 0.000 0.411 219 L N 0.805 122.025 121.223 -0.005 0.000 2.056 219 L HA 0.022 4.361 4.340 -0.002 0.000 0.207 219 L C 1.839 178.707 176.870 -0.004 0.000 1.078 219 L CA 1.543 56.380 54.840 -0.004 0.000 0.749 219 L CB -0.370 41.687 42.059 -0.004 0.000 0.901 219 L HN 1.033 nan 8.230 nan 0.000 0.433 220 G N 0.250 109.048 108.800 -0.004 0.000 3.094 220 G HA2 0.089 4.048 3.960 -0.002 0.000 0.208 220 G HA3 0.089 4.048 3.960 -0.002 0.000 0.208 220 G C 0.885 175.783 174.900 -0.004 0.000 1.189 220 G CA 0.139 45.237 45.100 -0.004 0.000 0.856 220 G HN 0.403 nan 8.290 nan 0.000 0.510 221 G N 0.305 109.103 108.800 -0.004 0.000 2.707 221 G HA2 0.025 3.984 3.960 -0.002 0.000 0.275 221 G HA3 0.025 3.984 3.960 -0.002 0.000 0.275 221 G C 0.050 174.948 174.900 -0.004 0.000 0.494 221 G CA -0.153 44.945 45.100 -0.004 0.000 1.110 221 G HN 0.232 nan 8.290 nan 0.000 0.236 222 L N 5.164 126.385 121.223 -0.004 0.000 2.309 222 L HA 0.395 4.734 4.340 -0.002 0.000 0.282 222 L C -1.113 175.754 176.870 -0.004 0.000 1.036 222 L CA -1.379 53.459 54.840 -0.004 0.000 0.806 222 L CB 1.290 43.346 42.059 -0.004 0.000 1.220 222 L HN 0.544 nan 8.230 nan 0.000 0.429 223 P HA 0.319 nan 4.420 nan 0.000 0.271 223 P C -0.636 176.663 177.300 -0.003 0.000 1.216 223 P CA -0.375 62.723 63.100 -0.003 0.000 0.776 223 P CB 1.325 33.023 31.700 -0.003 0.000 0.881 224 A N 2.343 125.161 122.820 -0.003 0.000 2.247 224 A HA 0.506 4.825 4.320 -0.002 0.000 0.313 224 A C -0.323 177.259 177.584 -0.003 0.000 1.109 224 A CA -0.718 51.317 52.037 -0.003 0.000 0.890 224 A CB 0.832 19.830 19.000 -0.003 0.000 1.239 224 A HN 0.481 nan 8.150 nan 0.000 0.506 225 V N 0.119 120.032 119.914 -0.003 0.000 2.539 225 V HA 0.420 4.539 4.120 -0.002 0.000 0.292 225 V C -0.367 175.726 176.094 -0.002 0.000 1.045 225 V CA -0.843 61.455 62.300 -0.002 0.000 0.945 225 V CB 1.109 32.930 31.823 -0.002 0.000 0.993 225 V HN 0.846 nan 8.190 nan 0.000 0.464 226 K N 4.631 125.030 120.400 -0.002 0.000 2.511 226 K HA 0.429 4.748 4.320 -0.002 0.000 0.280 226 K C 1.097 177.696 176.600 -0.002 0.000 1.008 226 K CA 1.097 57.383 56.287 -0.002 0.000 1.050 226 K CB -0.016 32.483 32.500 -0.002 0.000 0.889 226 K HN 1.195 nan 8.250 nan 0.000 0.484 227 G N 1.245 110.044 108.800 -0.002 0.000 2.284 227 G HA2 -0.342 3.617 3.960 -0.002 0.000 0.230 227 G HA3 -0.342 3.617 3.960 -0.002 0.000 0.230 227 G C 0.092 174.990 174.900 -0.002 0.000 1.021 227 G CA 0.127 45.226 45.100 -0.002 0.000 0.619 227 G HN 0.627 nan 8.290 nan 0.000 0.510 228 Q N 1.241 121.039 119.800 -0.002 0.000 2.368 228 Q HA 0.341 4.680 4.340 -0.002 0.000 0.331 228 Q C 0.754 176.753 176.000 -0.002 0.000 1.086 228 Q CA 1.499 57.300 55.803 -0.002 0.000 1.031 228 Q CB 0.179 28.915 28.738 -0.003 0.000 1.125 228 Q HN 0.608 nan 8.270 nan 0.000 0.389 229 Q N 3.551 123.350 119.800 -0.002 0.000 2.038 229 Q HA 0.256 4.595 4.340 -0.002 0.000 0.240 229 Q C -1.221 174.778 176.000 -0.002 0.000 0.831 229 Q CA -0.264 55.538 55.803 -0.002 0.000 1.068 229 Q CB 0.746 29.483 28.738 -0.002 0.000 1.241 229 Q HN 0.554 nan 8.270 nan 0.000 0.435 230 L N 1.116 122.337 121.223 -0.003 0.000 2.457 230 L HA 0.544 4.883 4.340 -0.002 0.000 0.266 230 L C -1.693 175.175 176.870 -0.003 0.000 0.979 230 L CA -0.347 54.491 54.840 -0.003 0.000 0.857 230 L CB 1.405 43.462 42.059 -0.003 0.000 1.213 230 L HN -0.044 nan 8.230 nan 0.000 0.418 231 N N 4.404 123.102 118.700 -0.003 0.000 2.354 231 N HA 0.897 5.636 4.740 -0.002 0.000 0.287 231 N C -1.536 173.971 175.510 -0.004 0.000 1.016 231 N CA 0.173 53.221 53.050 -0.003 0.000 0.871 231 N CB 2.167 40.652 38.487 -0.003 0.000 1.299 231 N HN 0.836 nan 8.380 nan 0.000 0.482 232 A N 1.724 124.542 122.820 -0.004 0.000 2.566 232 A HA 0.471 4.790 4.320 -0.002 0.000 0.297 232 A C -0.633 176.948 177.584 -0.005 0.000 1.059 232 A CA -0.812 51.222 52.037 -0.004 0.000 0.691 232 A CB 0.942 19.939 19.000 -0.004 0.000 1.282 232 A HN 0.581 nan 8.150 nan 0.000 0.401 233 T N 2.862 117.413 114.554 -0.005 0.000 2.799 233 T HA 0.447 4.796 4.350 -0.002 0.000 0.296 233 T C 0.348 175.044 174.700 -0.006 0.000 0.947 233 T CA -0.081 62.015 62.100 -0.006 0.000 1.141 233 T CB -0.875 67.990 68.868 -0.006 0.000 0.891 233 T HN 0.974 nan 8.240 nan 0.000 0.533 234 I N 5.459 126.026 120.570 -0.007 0.000 2.365 234 I HA 0.464 4.632 4.170 -0.002 0.000 0.291 234 I C 0.047 176.159 176.117 -0.008 0.000 1.004 234 I CA -1.110 60.186 61.300 -0.007 0.000 1.311 234 I CB 1.023 39.019 38.000 -0.007 0.000 1.401 234 I HN 0.501 nan 8.210 nan 0.000 0.491 235 I N 4.207 124.772 120.570 -0.009 0.000 2.359 235 I HA 0.539 4.708 4.170 -0.002 0.000 0.284 235 I C 0.658 176.768 176.117 -0.012 0.000 1.018 235 I CA -0.219 61.075 61.300 -0.010 0.000 1.173 235 I CB 0.360 38.355 38.000 -0.009 0.000 1.326 235 I HN 0.802 nan 8.210 nan 0.000 0.462 236 G N 6.932 115.724 108.800 -0.013 0.000 2.597 236 G HA2 0.083 4.042 3.960 -0.002 0.000 0.194 236 G HA3 0.083 4.042 3.960 -0.002 0.000 0.194 236 G C 0.117 175.005 174.900 -0.020 0.000 1.625 236 G CA -0.577 44.514 45.100 -0.016 0.000 1.050 236 G HN 0.695 nan 8.290 nan 0.000 0.531 237 K N 0.869 121.255 120.400 -0.024 0.000 2.368 237 K HA 0.349 4.668 4.320 -0.002 0.000 0.282 237 K C -0.161 176.421 176.600 -0.029 0.000 1.035 237 K CA 0.250 56.519 56.287 -0.031 0.000 0.973 237 K CB 0.796 33.273 32.500 -0.038 0.000 0.957 237 K HN 0.547 nan 8.250 nan 0.000 0.474 238 T N 0.614 115.150 114.554 -0.030 0.000 2.841 238 T HA 0.352 4.701 4.350 -0.002 0.000 0.283 238 T C 0.080 174.762 174.700 -0.029 0.000 1.000 238 T CA -1.280 60.806 62.100 -0.023 0.000 0.977 238 T CB 1.058 69.918 68.868 -0.014 0.000 0.979 238 T HN 0.638 nan 8.240 nan 0.000 0.446 239 R N 2.595 123.086 120.500 -0.015 0.000 2.905 239 R HA 0.413 4.752 4.340 -0.002 0.000 0.273 239 R C -0.110 176.189 176.300 -0.002 0.000 1.033 239 R CA -0.659 55.433 56.100 -0.014 0.000 1.182 239 R CB -0.081 30.246 30.300 0.045 0.000 1.097 239 R HN 0.634 nan 8.270 nan 0.000 0.504 240 L N 0.049 121.249 121.223 -0.038 0.000 2.399 240 L HA 0.245 4.584 4.340 -0.002 0.000 0.265 240 L C 0.945 178.000 176.870 0.308 0.000 1.089 240 L CA -0.670 54.143 54.840 -0.045 0.000 0.802 240 L CB 1.143 42.870 42.059 -0.554 0.000 1.180 240 L HN 0.670 nan 8.230 nan 0.000 0.454 241 Q N -0.361 119.611 119.800 0.286 0.000 2.581 241 Q HA 0.112 4.450 4.340 -0.002 0.000 0.222 241 Q C 0.537 176.783 176.000 0.408 0.000 0.904 241 Q CA 0.418 56.457 55.803 0.394 0.000 0.923 241 Q CB 0.833 29.696 28.738 0.209 0.000 1.117 241 Q HN 0.738 nan 8.270 nan 0.000 0.618 242 T N -1.155 113.560 114.554 0.267 0.000 2.918 242 T HA 0.498 4.847 4.350 -0.002 0.000 0.283 242 T C 0.912 175.760 174.700 0.247 0.000 1.001 242 T CA 0.228 62.449 62.100 0.202 0.000 1.041 242 T CB 1.294 70.233 68.868 0.119 0.000 1.028 242 T HN 0.267 nan 8.240 nan 0.000 0.511 243 A N 2.539 125.443 122.820 0.139 0.000 1.933 243 A HA -0.023 4.296 4.320 -0.002 0.000 0.218 243 A C 2.035 179.698 177.584 0.131 0.000 1.175 243 A CA 1.766 53.872 52.037 0.114 0.000 0.628 243 A CB -0.791 18.222 19.000 0.022 0.000 0.814 243 A HN 0.864 nan 8.150 nan 0.000 0.444 244 E N 0.270 120.522 120.200 0.086 0.000 2.097 244 E HA -0.238 4.111 4.350 -0.002 0.000 0.196 244 E C 2.167 178.790 176.600 0.038 0.000 1.000 244 E CA 1.834 58.266 56.400 0.053 0.000 0.804 244 E CB -0.427 29.296 29.700 0.038 0.000 0.740 244 E HN 0.784 nan 8.360 nan 0.000 0.454 245 Q N -1.075 118.746 119.800 0.035 0.000 2.124 245 Q HA -0.106 4.233 4.340 -0.002 0.000 0.202 245 Q C 1.915 177.830 176.000 -0.143 0.000 0.977 245 Q CA 1.192 56.954 55.803 -0.068 0.000 0.850 245 Q CB -0.209 28.460 28.738 -0.115 0.000 0.901 245 Q HN 0.304 nan 8.270 nan 0.000 0.429 246 F N 0.860 120.774 119.950 -0.060 0.000 2.367 246 F HA -0.061 4.465 4.527 -0.002 0.000 0.298 246 F C 1.933 177.690 175.800 -0.072 0.000 1.094 246 F CA 0.839 58.787 58.000 -0.086 0.000 1.409 246 F CB 0.179 39.097 39.000 -0.137 0.000 1.064 246 F HN 0.061 nan 8.300 nan 0.000 0.528 247 E N -0.293 119.967 120.200 0.101 0.000 2.216 247 E HA -0.087 4.262 4.350 -0.002 0.000 0.192 247 E C 0.582 177.185 176.600 0.005 0.000 0.988 247 E CA 0.567 56.993 56.400 0.043 0.000 0.834 247 E CB -0.079 29.642 29.700 0.036 0.000 0.772 247 E HN 0.296 nan 8.360 nan 0.000 0.479 248 N N 1.113 119.805 118.700 -0.013 0.000 2.376 248 N HA 0.126 4.865 4.740 -0.002 0.000 0.249 248 N C -0.154 175.326 175.510 -0.049 0.000 1.140 248 N CA 0.046 53.079 53.050 -0.029 0.000 0.870 248 N CB 0.375 38.845 38.487 -0.028 0.000 1.124 248 N HN 0.257 nan 8.380 nan 0.000 0.505 249 I N -0.509 120.029 120.570 -0.053 0.000 2.365 249 I HA 0.252 4.421 4.170 -0.002 0.000 0.291 249 I C -0.893 175.196 176.117 -0.046 0.000 1.004 249 I CA -0.707 60.555 61.300 -0.063 0.000 1.311 249 I CB 0.814 38.766 38.000 -0.081 0.000 1.401 249 I HN -0.282 nan 8.210 nan 0.000 0.491 250 L N 7.505 128.703 121.223 -0.042 0.000 2.278 250 L HA 0.196 4.535 4.340 -0.002 0.000 0.287 250 L C 0.476 177.330 176.870 -0.028 0.000 1.072 250 L CA 0.239 55.060 54.840 -0.031 0.000 0.819 250 L CB 1.071 43.116 42.059 -0.023 0.000 1.176 250 L HN 0.750 nan 8.230 nan 0.000 0.435 251 L N 2.891 124.097 121.223 -0.029 0.000 2.221 251 L HA 0.250 4.588 4.340 -0.002 0.000 0.202 251 L C 0.895 177.762 176.870 -0.005 0.000 1.074 251 L CA 0.974 55.800 54.840 -0.022 0.000 0.795 251 L CB -0.417 41.620 42.059 -0.036 0.000 0.960 251 L HN 0.616 nan 8.230 nan 0.000 0.458 263 K N 1.562 121.932 120.400 -0.049 0.000 2.611 263 K HA 0.208 4.527 4.320 -0.002 0.000 0.209 263 K C 0.112 176.679 176.600 -0.055 0.000 1.658 263 K CA 0.098 56.367 56.287 -0.030 0.000 1.080 263 K CB 0.750 33.242 32.500 -0.014 0.000 1.430 263 K HN 0.613 nan 8.250 nan 0.000 0.596 264 D N 0.755 121.083 120.400 -0.120 0.000 2.340 264 D HA 0.017 4.656 4.640 -0.002 0.000 0.220 264 D C 1.109 177.251 176.300 -0.263 0.000 1.039 264 D CA 0.460 54.349 54.000 -0.184 0.000 0.866 264 D CB 1.359 41.985 40.800 -0.290 0.000 0.913 264 D HN 0.018 nan 8.370 nan 0.000 0.523 265 V N -0.339 119.461 119.914 -0.190 0.000 3.431 265 V HA 0.380 4.498 4.120 -0.002 0.000 0.255 265 V C 0.391 176.461 176.094 -0.040 0.000 1.403 265 V CA 0.442 62.653 62.300 -0.148 0.000 1.101 265 V CB 1.169 32.893 31.823 -0.165 0.000 0.891 265 V HN 0.176 nan 8.190 nan 0.000 0.446 266 A N -0.861 121.952 122.820 -0.013 0.000 2.564 266 A HA 0.735 5.053 4.320 -0.002 0.000 0.288 266 A C -1.908 175.717 177.584 0.069 0.000 1.164 266 A CA -0.570 51.498 52.037 0.053 0.000 0.712 266 A CB 1.311 20.344 19.000 0.056 0.000 1.303 266 A HN 0.140 nan 8.150 nan 0.000 0.418 267 D N 0.403 120.892 120.400 0.149 0.000 2.192 267 D HA 0.537 5.176 4.640 -0.002 0.000 0.246 267 D C -0.791 175.594 176.300 0.142 0.000 1.042 267 D CA 0.012 54.108 54.000 0.161 0.000 0.847 267 D CB 1.939 42.872 40.800 0.220 0.000 1.186 267 D HN 0.220 nan 8.370 nan 0.000 0.461 268 V N 0.552 120.506 119.914 0.066 0.000 2.715 268 V HA 0.935 5.054 4.120 -0.002 0.000 0.310 268 V C 0.623 176.707 176.094 -0.016 0.000 1.054 268 V CA -0.481 61.801 62.300 -0.030 0.000 0.928 268 V CB 1.866 33.667 31.823 -0.037 0.000 1.007 268 V HN 0.809 nan 8.190 nan 0.000 0.437 269 G N 2.081 110.820 108.800 -0.103 0.000 2.338 269 G HA2 0.399 4.358 3.960 -0.002 0.000 0.295 269 G HA3 0.399 4.358 3.960 -0.002 0.000 0.295 269 G C -1.840 172.973 174.900 -0.145 0.000 1.461 269 G CA -1.002 44.052 45.100 -0.077 0.000 0.817 269 G HN 0.610 nan 8.290 nan 0.000 0.556 270 L N 0.867 121.987 121.223 -0.172 0.000 2.319 270 L HA 0.644 4.983 4.340 -0.002 0.000 0.280 270 L C 1.050 177.821 176.870 -0.166 0.000 1.099 270 L CA 0.290 54.979 54.840 -0.253 0.000 0.828 270 L CB 1.005 42.747 42.059 -0.529 0.000 1.150 270 L HN 0.918 nan 8.230 nan 0.000 0.442 271 G N 1.373 110.186 108.800 0.021 0.000 2.687 271 G HA2 0.526 4.485 3.960 -0.002 0.000 0.291 271 G HA3 0.526 4.485 3.960 -0.002 0.000 0.291 271 G C -0.598 174.368 174.900 0.111 0.000 1.420 271 G CA -0.470 44.760 45.100 0.217 0.000 0.796 271 G HN 0.718 nan 8.290 nan 0.000 0.485 272 G N -1.122 107.481 108.800 -0.329 0.000 2.391 272 G HA2 0.303 4.262 3.960 -0.002 0.000 0.234 272 G HA3 0.303 4.262 3.960 -0.002 0.000 0.234 272 G C 0.696 175.388 174.900 -0.347 0.000 1.284 272 G CA 0.394 45.137 45.100 -0.595 0.000 0.873 272 G HN 0.710 nan 8.290 nan 0.000 0.549 273 Q N -0.092 119.624 119.800 -0.140 0.000 2.389 273 Q HA -0.002 4.337 4.340 -0.002 0.000 0.204 273 Q C -0.270 175.603 176.000 -0.212 0.000 0.944 273 Q CA 0.898 56.674 55.803 -0.044 0.000 0.908 273 Q CB 0.280 29.085 28.738 0.112 0.000 1.002 273 Q HN 0.560 nan 8.270 nan 0.000 0.493 274 D N -1.164 119.115 120.400 -0.202 0.000 2.470 274 D HA 0.084 4.722 4.640 -0.002 0.000 0.233 274 D C -1.054 175.192 176.300 -0.089 0.000 1.372 274 D CA -0.448 53.483 54.000 -0.115 0.000 0.994 274 D CB 0.289 41.053 40.800 -0.060 0.000 1.377 274 D HN 0.034 nan 8.370 nan 0.000 0.586 275 Y N 1.854 122.175 120.300 0.035 0.000 2.578 275 Y HA 0.031 4.580 4.550 -0.001 0.000 0.297 275 Y C 2.300 178.237 175.900 0.061 0.000 1.176 275 Y CA 0.591 58.733 58.100 0.069 0.000 1.315 275 Y CB 0.222 38.738 38.460 0.094 0.000 1.031 275 Y HN 0.387 nan 8.280 nan 0.000 0.524 276 S N 0.356 116.151 115.700 0.158 0.000 2.380 276 S HA -0.087 4.382 4.470 -0.002 0.000 0.213 276 S C 0.730 175.401 174.600 0.119 0.000 1.037 276 S CA 0.639 58.916 58.200 0.129 0.000 1.034 276 S CB -0.438 62.826 63.200 0.106 0.000 1.022 276 S HN 0.217 nan 8.310 nan 0.000 0.418 277 I N 2.167 122.806 120.570 0.115 0.000 2.441 277 I HA 0.313 4.482 4.170 -0.002 0.000 0.287 277 I C 0.298 176.491 176.117 0.126 0.000 1.049 277 I CA -0.123 61.260 61.300 0.138 0.000 1.381 277 I CB 0.706 38.812 38.000 0.177 0.000 1.409 277 I HN 0.383 nan 8.210 nan 0.000 0.523 278 N N 3.758 122.517 118.700 0.098 0.000 2.647 278 N HA 0.854 5.593 4.740 -0.002 0.000 0.266 278 N C -1.473 174.030 175.510 -0.012 0.000 1.373 278 N CA -0.717 52.373 53.050 0.067 0.000 0.807 278 N CB 2.755 41.275 38.487 0.055 0.000 1.513 278 N HN 0.638 nan 8.380 nan 0.000 0.505 279 A N 0.583 123.376 122.820 -0.046 0.000 2.612 279 A HA 0.542 4.860 4.320 -0.002 0.000 0.293 279 A C -1.761 175.697 177.584 -0.211 0.000 1.075 279 A CA -0.523 51.373 52.037 -0.234 0.000 0.680 279 A CB 2.168 20.980 19.000 -0.312 0.000 1.279 279 A HN 0.587 nan 8.150 nan 0.000 0.411 280 Q N -0.116 119.472 119.800 -0.353 0.000 2.648 280 Q HA 0.715 5.053 4.340 -0.002 0.000 0.300 280 Q C -2.219 173.685 176.000 -0.161 0.000 0.954 280 Q CA -0.668 55.035 55.803 -0.166 0.000 0.757 280 Q CB 1.704 30.409 28.738 -0.057 0.000 1.482 280 Q HN 1.249 nan 8.270 nan 0.000 0.437 281 F N 1.867 121.758 119.950 -0.099 0.000 2.612 281 F HA 0.394 4.920 4.527 -0.002 0.000 0.332 281 F C -0.581 175.254 175.800 0.059 0.000 1.167 281 F CA -0.479 57.548 58.000 0.045 0.000 0.970 281 F CB 0.926 40.075 39.000 0.248 0.000 1.234 281 F HN 0.794 nan 8.300 nan 0.000 0.453 282 N N 3.614 122.042 118.700 -0.453 0.000 2.713 282 N HA -0.200 4.539 4.740 -0.002 0.000 0.251 282 N C 0.886 176.294 175.510 -0.170 0.000 1.117 282 N CA 1.852 54.666 53.050 -0.395 0.000 0.770 282 N CB -1.265 36.866 38.487 -0.594 0.000 1.137 282 N HN 1.398 nan 8.380 nan 0.000 0.566 283 G N -2.725 106.017 108.800 -0.095 0.000 2.493 283 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.206 283 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.206 283 G C 0.109 175.003 174.900 -0.010 0.000 1.109 283 G CA 0.187 45.260 45.100 -0.044 0.000 0.689 283 G HN 0.562 nan 8.290 nan 0.000 0.516 284 S N 3.585 119.291 115.700 0.011 0.000 2.573 284 S HA 0.472 4.941 4.470 -0.002 0.000 0.277 284 S C -2.311 172.329 174.600 0.066 0.000 1.346 284 S CA -0.303 57.926 58.200 0.048 0.000 1.034 284 S CB 1.092 64.338 63.200 0.076 0.000 0.879 284 S HN 0.373 nan 8.310 nan 0.000 0.528 285 P HA 0.363 nan 4.420 nan 0.000 0.267 285 P C -0.964 176.393 177.300 0.094 0.000 1.209 285 P CA 0.113 63.251 63.100 0.063 0.000 0.763 285 P CB 0.403 32.138 31.700 0.059 0.000 0.816 286 A N 2.318 125.198 122.820 0.099 0.000 2.593 286 A HA 0.766 5.084 4.320 -0.002 0.000 0.290 286 A C -0.838 176.838 177.584 0.153 0.000 1.126 286 A CA -0.444 51.682 52.037 0.148 0.000 0.695 286 A CB 1.572 20.721 19.000 0.249 0.000 1.290 286 A HN 0.388 nan 8.150 nan 0.000 0.414 287 S N -1.487 114.327 115.700 0.190 0.000 2.667 287 S HA 0.897 5.366 4.470 -0.002 0.000 0.292 287 S C -0.312 174.456 174.600 0.281 0.000 1.126 287 S CA 0.111 58.448 58.200 0.228 0.000 0.881 287 S CB 1.889 65.170 63.200 0.135 0.000 1.132 287 S HN 2.200 nan 8.310 nan 0.000 0.492 288 G N 0.711 109.701 108.800 0.316 0.000 2.720 288 G HA2 0.579 4.538 3.960 -0.002 0.000 0.295 288 G HA3 0.579 4.538 3.960 -0.002 0.000 0.295 288 G C -2.005 172.848 174.900 -0.079 0.000 1.437 288 G CA -0.571 44.613 45.100 0.140 0.000 0.886 288 G HN 0.789 nan 8.290 nan 0.000 0.509 289 I N 1.575 122.006 120.570 -0.232 0.000 2.390 289 I HA 0.735 4.903 4.170 -0.002 0.000 0.283 289 I C 0.352 176.246 176.117 -0.372 0.000 1.016 289 I CA -0.686 60.428 61.300 -0.311 0.000 1.151 289 I CB 1.180 39.069 38.000 -0.184 0.000 1.293 289 I HN 0.727 nan 8.210 nan 0.000 0.458 290 A N 8.073 130.533 122.820 -0.600 0.000 2.362 290 A HA 0.625 4.944 4.320 -0.002 0.000 0.276 290 A C -0.326 177.140 177.584 -0.196 0.000 1.153 290 A CA -0.274 51.435 52.037 -0.546 0.000 0.813 290 A CB -0.046 18.286 19.000 -1.114 0.000 1.081 290 A HN 0.736 nan 8.150 nan 0.000 0.507 291 I N 2.437 122.991 120.570 -0.026 0.000 2.336 291 I HA 0.278 4.447 4.170 -0.002 0.000 0.292 291 I C 0.386 176.650 176.117 0.246 0.000 0.991 291 I CA -0.224 61.147 61.300 0.119 0.000 1.227 291 I CB 1.593 39.631 38.000 0.063 0.000 1.366 291 I HN 0.658 nan 8.210 nan 0.000 0.466 292 K N 6.872 127.436 120.400 0.274 0.000 2.185 292 K HA 0.487 4.805 4.320 -0.002 0.000 0.269 292 K C -0.868 175.834 176.600 0.171 0.000 0.987 292 K CA -0.698 55.749 56.287 0.267 0.000 0.865 292 K CB 1.416 34.059 32.500 0.239 0.000 1.090 292 K HN 0.520 nan 8.250 nan 0.000 0.450 293 L N 3.399 124.710 121.223 0.146 0.000 2.397 293 L HA 0.307 4.646 4.340 -0.002 0.000 0.271 293 L C -0.303 176.617 176.870 0.082 0.000 1.148 293 L CA -0.086 54.816 54.840 0.104 0.000 0.825 293 L CB 0.932 43.050 42.059 0.097 0.000 1.117 293 L HN 0.834 nan 8.230 nan 0.000 0.456 294 A N 3.287 126.146 122.820 0.065 0.000 2.409 294 A HA 0.210 4.529 4.320 -0.002 0.000 0.267 294 A C 0.331 177.938 177.584 0.039 0.000 1.127 294 A CA -0.122 51.945 52.037 0.049 0.000 0.795 294 A CB 0.201 19.224 19.000 0.039 0.000 1.061 294 A HN 0.746 nan 8.150 nan 0.000 0.502 295 T N 2.010 116.583 114.554 0.032 0.000 2.800 295 T HA 0.339 4.688 4.350 -0.002 0.000 0.283 295 T C 1.560 176.270 174.700 0.017 0.000 0.999 295 T CA 2.122 64.237 62.100 0.024 0.000 1.176 295 T CB -0.507 68.367 68.868 0.011 0.000 0.973 295 T HN 2.264 nan 8.240 nan 0.000 0.519 296 G N 2.824 111.638 108.800 0.023 0.000 2.213 296 G HA2 -0.048 3.911 3.960 -0.002 0.000 0.236 296 G HA3 -0.048 3.911 3.960 -0.002 0.000 0.236 296 G C 0.357 175.272 174.900 0.024 0.000 0.991 296 G CA 0.032 45.143 45.100 0.019 0.000 0.629 296 G HN 1.280 nan 8.290 nan 0.000 0.517 297 A N -0.184 122.653 122.820 0.028 0.000 2.259 297 A HA 0.662 4.981 4.320 -0.002 0.000 0.278 297 A C 0.422 178.026 177.584 0.033 0.000 1.107 297 A CA 0.235 52.289 52.037 0.028 0.000 0.828 297 A CB 0.396 19.414 19.000 0.030 0.000 1.111 297 A HN 0.587 nan 8.150 nan 0.000 0.498 298 N N 0.104 118.821 118.700 0.029 0.000 2.469 298 N HA 0.357 5.096 4.740 -0.002 0.000 0.253 298 N C 0.907 176.434 175.510 0.028 0.000 0.970 298 N CA 0.264 53.331 53.050 0.029 0.000 0.940 298 N CB 1.618 40.118 38.487 0.023 0.000 1.128 298 N HN 0.619 nan 8.380 nan 0.000 0.503 299 A N 5.248 128.088 122.820 0.035 0.000 1.881 299 A HA -0.203 4.115 4.320 -0.002 0.000 0.219 299 A C 2.074 179.668 177.584 0.017 0.000 1.215 299 A CA 1.179 53.236 52.037 0.034 0.000 0.648 299 A CB -0.613 18.413 19.000 0.043 0.000 0.832 299 A HN 0.715 nan 8.150 nan 0.000 0.455 300 L N -0.457 120.772 121.223 0.009 0.000 2.012 300 L HA -0.210 4.128 4.340 -0.002 0.000 0.210 300 L C 2.254 179.120 176.870 -0.006 0.000 1.073 300 L CA 2.360 57.197 54.840 -0.005 0.000 0.748 300 L CB -1.657 40.398 42.059 -0.007 0.000 0.891 300 L HN 0.429 nan 8.230 nan 0.000 0.431 301 D N -0.855 119.545 120.400 0.001 0.000 2.077 301 D HA -0.184 4.455 4.640 -0.002 0.000 0.193 301 D C 2.089 178.389 176.300 0.000 0.000 0.989 301 D CA 1.981 55.981 54.000 -0.000 0.000 0.831 301 D CB -0.233 40.570 40.800 0.006 0.000 0.979 301 D HN 0.191 nan 8.370 nan 0.000 0.449 302 T N -0.097 114.462 114.554 0.008 0.000 2.849 302 T HA -0.125 4.224 4.350 -0.002 0.000 0.270 302 T C 1.778 176.482 174.700 0.007 0.000 1.066 302 T CA 1.753 63.859 62.100 0.010 0.000 1.130 302 T CB -0.195 68.686 68.868 0.021 0.000 0.864 302 T HN 0.140 nan 8.240 nan 0.000 0.481 303 A N 0.994 123.815 122.820 0.002 0.000 1.873 303 A HA 0.016 4.335 4.320 -0.002 0.000 0.215 303 A C 2.319 179.889 177.584 -0.023 0.000 1.186 303 A CA 1.781 53.812 52.037 -0.010 0.000 0.616 303 A CB -0.648 18.337 19.000 -0.025 0.000 0.823 303 A HN 0.565 nan 8.150 nan 0.000 0.442 304 K N -0.359 120.026 120.400 -0.025 0.000 2.152 304 K HA -0.129 4.190 4.320 -0.002 0.000 0.206 304 K C 2.064 178.655 176.600 -0.016 0.000 1.048 304 K CA 1.136 57.406 56.287 -0.028 0.000 0.933 304 K CB -0.245 32.240 32.500 -0.024 0.000 0.721 304 K HN 0.429 nan 8.250 nan 0.000 0.447 305 A N 1.288 124.103 122.820 -0.009 0.000 1.897 305 A HA -0.104 4.215 4.320 -0.002 0.000 0.215 305 A C 2.021 179.604 177.584 -0.001 0.000 1.181 305 A CA 1.299 53.333 52.037 -0.005 0.000 0.620 305 A CB -0.515 18.481 19.000 -0.006 0.000 0.821 305 A HN 0.482 nan 8.150 nan 0.000 0.443 306 I N -1.553 119.020 120.570 0.004 0.000 2.361 306 I HA -0.158 4.011 4.170 -0.002 0.000 0.251 306 I C 1.976 178.118 176.117 0.041 0.000 1.133 306 I CA 1.712 63.020 61.300 0.014 0.000 1.413 306 I CB -0.370 37.645 38.000 0.025 0.000 1.073 306 I HN 0.136 nan 8.210 nan 0.000 0.424 307 R N 0.160 120.684 120.500 0.041 0.000 2.235 307 R HA -0.069 4.270 4.340 -0.002 0.000 0.213 307 R C 2.269 178.594 176.300 0.042 0.000 1.059 307 R CA 1.108 57.245 56.100 0.062 0.000 0.997 307 R CB -0.316 29.979 30.300 -0.008 0.000 0.884 307 R HN 0.636 nan 8.270 nan 0.000 0.462 308 Q N -0.160 119.652 119.800 0.020 0.000 2.163 308 Q HA -0.065 4.274 4.340 -0.002 0.000 0.198 308 Q C 1.283 177.296 176.000 0.021 0.000 0.954 308 Q CA 1.238 57.050 55.803 0.015 0.000 0.851 308 Q CB 0.346 29.087 28.738 0.004 0.000 0.928 308 Q HN 0.185 nan 8.270 nan 0.000 0.459 309 T N 1.637 116.199 114.554 0.013 0.000 2.668 309 T HA -0.145 4.204 4.350 -0.002 0.000 0.262 309 T C 1.841 176.554 174.700 0.022 0.000 1.045 309 T CA 1.614 63.717 62.100 0.005 0.000 1.152 309 T CB -0.313 68.541 68.868 -0.024 0.000 0.864 309 T HN 0.513 nan 8.240 nan 0.000 0.419 310 I N 1.209 121.796 120.570 0.027 0.000 2.315 310 I HA 0.115 4.284 4.170 -0.002 0.000 0.248 310 I C 2.388 178.543 176.117 0.064 0.000 1.117 310 I CA 1.404 62.726 61.300 0.037 0.000 1.404 310 I CB -0.751 37.265 38.000 0.027 0.000 1.071 310 I HN 0.098 nan 8.210 nan 0.000 0.419 311 A N 0.715 123.574 122.820 0.066 0.000 2.209 311 A HA -0.107 4.212 4.320 -0.002 0.000 0.212 311 A C 1.992 179.608 177.584 0.052 0.000 1.158 311 A CA 1.483 53.554 52.037 0.056 0.000 0.742 311 A CB -1.179 17.849 19.000 0.046 0.000 0.790 311 A HN 0.651 nan 8.150 nan 0.000 0.472 312 N N -0.655 118.088 118.700 0.072 0.000 2.373 312 N HA 0.112 4.851 4.740 -0.002 0.000 0.181 312 N C 0.993 176.639 175.510 0.227 0.000 1.082 312 N CA 0.583 53.699 53.050 0.110 0.000 0.885 312 N CB -0.117 38.423 38.487 0.088 0.000 0.977 312 N HN 0.425 nan 8.380 nan 0.000 0.462 313 L N -0.682 120.661 121.223 0.199 0.000 2.701 313 L HA 0.303 4.642 4.340 -0.002 0.000 0.238 313 L C 1.525 178.567 176.870 0.288 0.000 1.106 313 L CA 0.019 55.057 54.840 0.330 0.000 0.898 313 L CB 0.135 42.294 42.059 0.167 0.000 1.188 313 L HN 0.067 nan 8.230 nan 0.000 0.508 314 E N 1.095 121.371 120.200 0.127 0.000 2.070 314 E HA -0.226 4.123 4.350 -0.002 0.000 0.197 314 E C -0.707 175.878 176.600 -0.024 0.000 1.004 314 E CA 1.513 57.949 56.400 0.060 0.000 0.805 314 E CB -0.925 28.787 29.700 0.021 0.000 0.744 314 E HN 0.384 nan 8.360 nan 0.000 0.451 315 P HA -0.186 nan 4.420 nan 0.000 0.216 315 P C -0.107 176.960 177.300 -0.388 0.000 1.157 315 P CA 1.226 64.086 63.100 -0.400 0.000 0.880 315 P CB -0.097 31.163 31.700 -0.733 0.000 0.791 316 F N -0.229 119.741 119.950 0.032 0.000 2.368 316 F HA 0.552 5.077 4.527 -0.002 0.000 0.362 316 F C 0.573 176.417 175.800 0.072 0.000 1.137 316 F CA -0.420 57.607 58.000 0.044 0.000 1.161 316 F CB -0.139 38.891 39.000 0.049 0.000 1.265 316 F HN -0.173 nan 8.300 nan 0.000 0.530 317 M N 3.876 123.562 119.600 0.144 0.000 2.415 317 M HA 0.303 4.782 4.480 -0.002 0.000 0.292 317 M C -2.852 173.392 176.300 -0.093 0.000 1.107 317 M CA -1.642 53.664 55.300 0.010 0.000 0.927 317 M CB 1.951 34.557 32.600 0.010 0.000 1.808 317 M HN 0.083 nan 8.290 nan 0.000 0.509 318 P HA -0.031 nan 4.420 nan 0.000 0.259 318 P C -0.532 176.706 177.300 -0.104 0.000 1.163 318 P CA 0.473 63.485 63.100 -0.147 0.000 0.760 318 P CB 0.464 32.031 31.700 -0.222 0.000 0.762 319 Q N 1.699 121.466 119.800 -0.056 0.000 2.585 319 Q HA 0.014 4.353 4.340 -0.002 0.000 0.219 319 Q C 1.253 177.230 176.000 -0.038 0.000 0.984 319 Q CA 1.306 57.086 55.803 -0.039 0.000 0.915 319 Q CB -0.360 28.364 28.738 -0.022 0.000 0.967 319 Q HN 0.565 nan 8.270 nan 0.000 0.530 320 G N 0.922 109.692 108.800 -0.050 0.000 4.138 320 G HA2 0.571 4.530 3.960 -0.002 0.000 0.335 320 G HA3 0.571 4.530 3.960 -0.002 0.000 0.335 320 G C -0.729 174.141 174.900 -0.050 0.000 1.517 320 G CA -0.604 44.474 45.100 -0.036 0.000 0.960 320 G HN 0.147 nan 8.290 nan 0.000 0.493 321 M N -0.410 119.158 119.600 -0.054 0.000 2.447 321 M HA 0.527 5.006 4.480 -0.002 0.000 0.292 321 M C -2.391 173.887 176.300 -0.037 0.000 1.083 321 M CA -0.946 54.322 55.300 -0.054 0.000 0.907 321 M CB 1.901 34.432 32.600 -0.115 0.000 1.829 321 M HN -0.102 nan 8.290 nan 0.000 0.518 322 K N 2.689 123.082 120.400 -0.012 0.000 2.345 322 K HA 0.614 4.933 4.320 -0.002 0.000 0.255 322 K C -0.991 175.598 176.600 -0.018 0.000 0.934 322 K CA -0.781 55.505 56.287 -0.003 0.000 0.801 322 K CB 2.991 35.502 32.500 0.018 0.000 1.137 322 K HN 0.731 nan 8.250 nan 0.000 0.424 323 V N 2.976 122.868 119.914 -0.035 0.000 2.529 323 V HA 0.096 4.215 4.120 -0.002 0.000 0.292 323 V C 0.449 176.440 176.094 -0.171 0.000 1.028 323 V CA -0.274 61.954 62.300 -0.120 0.000 1.074 323 V CB 1.159 32.901 31.823 -0.134 0.000 0.958 323 V HN 0.459 nan 8.190 nan 0.000 0.481 324 V N 5.987 125.728 119.914 -0.289 0.000 3.046 324 V HA 0.576 4.695 4.120 -0.002 0.000 0.316 324 V C -1.372 174.402 176.094 -0.534 0.000 1.104 324 V CA -0.644 61.492 62.300 -0.274 0.000 1.006 324 V CB 2.473 34.152 31.823 -0.240 0.000 1.058 324 V HN 0.748 nan 8.190 nan 0.000 0.440 325 Y N 4.537 124.721 120.300 -0.194 0.000 2.863 325 Y HA 0.413 4.962 4.550 -0.002 0.000 0.348 325 Y C -1.791 173.985 175.900 -0.207 0.000 1.028 325 Y CA -1.642 56.343 58.100 -0.192 0.000 1.213 325 Y CB 1.044 39.441 38.460 -0.104 0.000 1.120 325 Y HN 0.546 nan 8.280 nan 0.000 0.598 326 P HA -0.203 nan 4.420 nan 0.000 0.211 326 P C -0.513 176.843 177.300 0.094 0.000 1.179 326 P CA 1.531 64.499 63.100 -0.219 0.000 0.910 326 P CB 0.271 31.562 31.700 -0.682 0.000 0.785 327 Y N -0.365 119.842 120.300 -0.155 0.000 2.361 327 Y HA 0.589 5.138 4.550 -0.002 0.000 0.337 327 Y C -1.572 174.339 175.900 0.019 0.000 0.965 327 Y CA -1.271 56.823 58.100 -0.010 0.000 1.091 327 Y CB 1.296 39.734 38.460 -0.037 0.000 1.182 327 Y HN -0.231 nan 8.280 nan 0.000 0.450 328 D N 3.358 123.476 120.400 -0.470 0.000 2.764 328 D HA 0.141 4.780 4.640 -0.002 0.000 0.227 328 D C 0.329 176.404 176.300 -0.375 0.000 1.347 328 D CA 0.115 53.911 54.000 -0.339 0.000 0.953 328 D CB 1.724 42.447 40.800 -0.128 0.000 1.476 328 D HN 0.668 nan 8.370 nan 0.000 0.585 329 T N -0.675 113.681 114.554 -0.330 0.000 3.035 329 T HA -0.082 4.267 4.350 -0.002 0.000 0.259 329 T C 1.811 176.486 174.700 -0.042 0.000 1.078 329 T CA 1.518 63.520 62.100 -0.163 0.000 1.132 329 T CB -0.363 68.476 68.868 -0.049 0.000 0.900 329 T HN 0.394 nan 8.240 nan 0.000 0.480 330 T N 0.826 115.354 114.554 -0.043 0.000 2.699 330 T HA -0.047 4.302 4.350 -0.002 0.000 0.268 330 T C -0.486 174.208 174.700 -0.010 0.000 1.036 330 T CA 1.161 63.250 62.100 -0.018 0.000 1.147 330 T CB -1.983 66.866 68.868 -0.031 0.000 0.862 330 T HN 0.317 nan 8.240 nan 0.000 0.446 331 P HA -0.052 nan 4.420 nan 0.000 0.218 331 P C 1.817 179.153 177.300 0.061 0.000 1.146 331 P CA 0.450 63.556 63.100 0.009 0.000 0.820 331 P CB -0.309 31.402 31.700 0.018 0.000 0.778 332 V N -0.701 119.274 119.914 0.103 0.000 2.591 332 V HA -0.148 3.971 4.120 -0.002 0.000 0.249 332 V C 2.086 178.202 176.094 0.036 0.000 1.053 332 V CA 1.475 63.864 62.300 0.149 0.000 1.068 332 V CB -0.684 31.297 31.823 0.264 0.000 0.689 332 V HN -0.087 nan 8.190 nan 0.000 0.462 333 V N 0.157 120.086 119.914 0.025 0.000 2.358 333 V HA -0.192 3.927 4.120 -0.002 0.000 0.246 333 V C 2.582 178.660 176.094 -0.026 0.000 1.047 333 V CA 2.180 64.474 62.300 -0.010 0.000 1.035 333 V CB -1.071 30.750 31.823 -0.002 0.000 0.658 333 V HN 0.598 nan 8.190 nan 0.000 0.452 334 S N 1.150 116.839 115.700 -0.020 0.000 2.354 334 S HA -0.212 4.257 4.470 -0.002 0.000 0.219 334 S C 2.333 176.921 174.600 -0.020 0.000 1.035 334 S CA 1.595 59.782 58.200 -0.023 0.000 1.037 334 S CB -0.843 62.333 63.200 -0.039 0.000 0.956 334 S HN 0.655 nan 8.310 nan 0.000 0.428 335 A N 2.150 124.942 122.820 -0.048 0.000 1.903 335 A HA -0.204 4.115 4.320 -0.002 0.000 0.219 335 A C 2.458 179.980 177.584 -0.105 0.000 1.191 335 A CA 2.601 54.584 52.037 -0.089 0.000 0.638 335 A CB -1.316 17.577 19.000 -0.178 0.000 0.823 335 A HN 0.663 nan 8.150 nan 0.000 0.451 336 S N 0.774 116.387 115.700 -0.146 0.000 2.348 336 S HA -0.199 4.270 4.470 -0.002 0.000 0.221 336 S C 2.001 176.546 174.600 -0.093 0.000 1.033 336 S CA 1.576 59.681 58.200 -0.158 0.000 1.010 336 S CB -1.204 61.905 63.200 -0.152 0.000 0.891 336 S HN 0.901 nan 8.310 nan 0.000 0.442 337 I N 0.902 121.431 120.570 -0.067 0.000 2.142 337 I HA -0.118 4.051 4.170 -0.002 0.000 0.240 337 I C 2.638 178.750 176.117 -0.009 0.000 1.078 337 I CA 2.209 63.481 61.300 -0.047 0.000 1.343 337 I CB -1.264 36.715 38.000 -0.035 0.000 1.046 337 I HN 0.391 nan 8.210 nan 0.000 0.405 338 H N 0.853 119.884 119.070 -0.064 0.000 2.460 338 H HA -0.222 4.333 4.556 -0.002 0.000 0.297 338 H C 2.004 177.302 175.328 -0.050 0.000 1.103 338 H CA 2.149 58.166 56.048 -0.051 0.000 1.292 338 H CB -0.068 29.661 29.762 -0.055 0.000 1.376 338 H HN 0.512 nan 8.280 nan 0.000 0.531 339 E N -0.415 119.728 120.200 -0.095 0.000 2.112 339 E HA -0.059 4.290 4.350 -0.002 0.000 0.190 339 E C 2.238 178.767 176.600 -0.118 0.000 0.979 339 E CA 1.084 57.404 56.400 -0.133 0.000 0.814 339 E CB 0.038 29.686 29.700 -0.087 0.000 0.762 339 E HN 0.412 nan 8.360 nan 0.000 0.460 340 V N -0.323 119.555 119.914 -0.061 0.000 2.358 340 V HA -0.208 3.911 4.120 -0.002 0.000 0.246 340 V C 2.326 178.405 176.094 -0.025 0.000 1.047 340 V CA 1.340 63.645 62.300 0.008 0.000 1.035 340 V CB -0.691 31.168 31.823 0.059 0.000 0.658 340 V HN 0.121 nan 8.190 nan 0.000 0.452 341 V N 0.823 120.696 119.914 -0.067 0.000 2.317 341 V HA -0.381 3.738 4.120 -0.002 0.000 0.251 341 V C 2.578 178.600 176.094 -0.119 0.000 1.065 341 V CA 2.703 64.957 62.300 -0.076 0.000 1.049 341 V CB -0.810 30.947 31.823 -0.109 0.000 0.651 341 V HN 0.681 nan 8.190 nan 0.000 0.450 342 K N 0.527 120.797 120.400 -0.217 0.000 2.063 342 K HA -0.240 4.079 4.320 -0.002 0.000 0.208 342 K C 2.116 178.659 176.600 -0.095 0.000 1.048 342 K CA 2.177 58.352 56.287 -0.187 0.000 0.928 342 K CB -0.457 31.897 32.500 -0.244 0.000 0.713 342 K HN 0.643 nan 8.250 nan 0.000 0.442 343 T N -0.650 113.860 114.554 -0.073 0.000 3.113 343 T HA -0.010 4.339 4.350 -0.002 0.000 0.263 343 T C 1.925 176.612 174.700 -0.022 0.000 1.143 343 T CA 0.331 62.403 62.100 -0.047 0.000 1.090 343 T CB -0.062 68.778 68.868 -0.047 0.000 0.922 343 T HN 0.176 nan 8.240 nan 0.000 0.521 344 L N 0.767 121.983 121.223 -0.012 0.000 2.007 344 L HA 0.151 4.490 4.340 -0.002 0.000 0.205 344 L C 3.118 179.989 176.870 0.001 0.000 1.073 344 L CA 1.629 56.475 54.840 0.011 0.000 0.744 344 L CB -1.208 40.868 42.059 0.029 0.000 0.898 344 L HN 0.491 nan 8.230 nan 0.000 0.435 345 G N -0.630 108.161 108.800 -0.015 0.000 2.499 345 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.221 345 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.221 345 G C 1.356 176.246 174.900 -0.016 0.000 1.109 345 G CA 0.664 45.753 45.100 -0.018 0.000 0.749 345 G HN 0.473 nan 8.290 nan 0.000 0.568 346 E N 0.319 120.508 120.200 -0.018 0.000 2.060 346 E HA 0.120 4.468 4.350 -0.002 0.000 0.189 346 E C 2.981 179.581 176.600 -0.001 0.000 0.974 346 E CA 0.523 56.914 56.400 -0.015 0.000 0.808 346 E CB -0.137 29.547 29.700 -0.028 0.000 0.768 346 E HN 0.374 nan 8.360 nan 0.000 0.453 347 A N 2.462 125.282 122.820 -0.001 0.000 1.858 347 A HA -0.164 4.155 4.320 -0.002 0.000 0.216 347 A C 2.246 179.854 177.584 0.040 0.000 1.190 347 A CA 0.947 52.991 52.037 0.012 0.000 0.617 347 A CB -0.671 18.336 19.000 0.011 0.000 0.827 347 A HN 0.269 nan 8.150 nan 0.000 0.443 348 I N -0.144 120.450 120.570 0.040 0.000 2.248 348 I HA -0.222 3.947 4.170 -0.002 0.000 0.248 348 I C 2.208 178.371 176.117 0.077 0.000 1.107 348 I CA 2.070 63.404 61.300 0.057 0.000 1.373 348 I CB -0.480 37.544 38.000 0.040 0.000 1.055 348 I HN 0.468 nan 8.210 nan 0.000 0.418 349 L N -0.025 121.226 121.223 0.047 0.000 2.162 349 L HA -0.086 4.253 4.340 -0.002 0.000 0.205 349 L C 2.359 179.300 176.870 0.119 0.000 1.086 349 L CA 0.933 55.803 54.840 0.049 0.000 0.778 349 L CB -0.119 41.934 42.059 -0.009 0.000 0.928 349 L HN 0.142 nan 8.230 nan 0.000 0.446 350 L N -1.234 120.040 121.223 0.085 0.000 2.156 350 L HA -0.147 4.192 4.340 -0.002 0.000 0.208 350 L C 2.456 179.395 176.870 0.114 0.000 1.095 350 L CA 0.555 55.447 54.840 0.087 0.000 0.770 350 L CB -0.289 41.797 42.059 0.045 0.000 0.914 350 L HN 0.118 nan 8.230 nan 0.000 0.439 351 V N -0.483 119.501 119.914 0.116 0.000 2.548 351 V HA -0.289 3.830 4.120 -0.002 0.000 0.249 351 V C 2.155 178.329 176.094 0.135 0.000 1.055 351 V CA 1.568 63.934 62.300 0.110 0.000 1.065 351 V CB -0.187 31.695 31.823 0.098 0.000 0.681 351 V HN 0.420 nan 8.190 nan 0.000 0.462 352 F N -0.443 119.522 119.950 0.025 0.000 2.146 352 F HA -0.154 4.372 4.527 -0.002 0.000 0.298 352 F C 1.992 177.826 175.800 0.057 0.000 1.096 352 F CA 1.616 59.629 58.000 0.021 0.000 1.275 352 F CB -0.098 38.901 39.000 -0.000 0.000 1.008 352 F HN 0.060 nan 8.300 nan 0.000 0.480 353 L N 0.189 121.566 121.223 0.257 0.000 2.046 353 L HA -0.158 4.181 4.340 -0.002 0.000 0.208 353 L C 2.555 179.462 176.870 0.062 0.000 1.077 353 L CA 1.238 56.156 54.840 0.130 0.000 0.747 353 L CB -1.558 40.587 42.059 0.144 0.000 0.896 353 L HN 0.112 nan 8.230 nan 0.000 0.432 354 V N 0.477 120.445 119.914 0.090 0.000 2.332 354 V HA -0.316 3.802 4.120 -0.002 0.000 0.248 354 V C 2.560 178.756 176.094 0.170 0.000 1.055 354 V CA 2.040 64.426 62.300 0.143 0.000 1.038 354 V CB -0.581 31.318 31.823 0.128 0.000 0.651 354 V HN 0.519 nan 8.190 nan 0.000 0.450 355 M N -1.930 117.690 119.600 0.034 0.000 2.388 355 M HA -0.049 4.430 4.480 -0.002 0.000 0.265 355 M C 2.313 178.584 176.300 -0.050 0.000 1.088 355 M CA 1.735 57.030 55.300 -0.009 0.000 1.134 355 M CB -0.818 31.722 32.600 -0.100 0.000 1.384 355 M HN 0.277 nan 8.290 nan 0.000 0.447 356 Y N 2.455 122.568 120.300 -0.311 0.000 2.207 356 Y HA -0.138 4.411 4.550 -0.002 0.000 0.287 356 Y C 2.311 178.155 175.900 -0.093 0.000 1.156 356 Y CA 1.305 59.229 58.100 -0.294 0.000 1.182 356 Y CB -0.368 37.848 38.460 -0.406 0.000 0.979 356 Y HN 0.260 nan 8.280 nan 0.000 0.521 357 L N -1.155 120.183 121.223 0.191 0.000 2.265 357 L HA -0.222 4.117 4.340 -0.002 0.000 0.215 357 L C 1.354 177.980 176.870 -0.407 0.000 1.117 357 L CA 1.909 56.712 54.840 -0.060 0.000 0.782 357 L CB -0.740 41.232 42.059 -0.146 0.000 0.914 357 L HN 0.273 nan 8.230 nan 0.000 0.441 358 F N -0.915 118.919 119.950 -0.193 0.000 2.480 358 F HA 0.078 4.604 4.527 -0.002 0.000 0.280 358 F C 2.264 177.937 175.800 -0.212 0.000 1.002 358 F CA 0.298 58.154 58.000 -0.241 0.000 1.325 358 F CB -0.154 38.728 39.000 -0.197 0.000 1.134 358 F HN -0.166 nan 8.300 nan 0.000 0.646 359 L N -0.297 120.912 121.223 -0.022 0.000 2.201 359 L HA -0.154 4.185 4.340 -0.002 0.000 0.212 359 L C 0.911 177.629 176.870 -0.252 0.000 1.105 359 L CA 0.977 55.734 54.840 -0.138 0.000 0.775 359 L CB -0.758 41.197 42.059 -0.174 0.000 0.913 359 L HN 0.277 nan 8.230 nan 0.000 0.440 360 Q N -1.027 118.588 119.800 -0.308 0.000 2.393 360 Q HA -0.263 4.075 4.340 -0.002 0.000 0.235 360 Q C 0.010 175.612 176.000 -0.662 0.000 0.823 360 Q CA 0.878 56.361 55.803 -0.534 0.000 1.284 360 Q CB -1.508 26.876 28.738 -0.591 0.000 1.669 360 Q HN 0.443 nan 8.270 nan 0.000 0.597 361 N N -0.660 117.713 118.700 -0.546 0.000 2.399 361 N HA 0.257 4.995 4.740 -0.002 0.000 0.280 361 N C -0.319 174.936 175.510 -0.424 0.000 1.008 361 N CA -0.443 52.362 53.050 -0.407 0.000 0.894 361 N CB 0.864 39.210 38.487 -0.235 0.000 1.273 361 N HN 0.053 nan 8.380 nan 0.000 0.486 362 F N 3.778 123.455 119.950 -0.455 0.000 2.046 362 F HA -0.146 4.380 4.527 -0.002 0.000 0.297 362 F C 1.991 177.714 175.800 -0.128 0.000 1.123 362 F CA 1.553 59.382 58.000 -0.284 0.000 1.199 362 F CB 0.294 39.259 39.000 -0.058 0.000 0.972 362 F HN 0.531 nan 8.300 nan 0.000 0.474 363 R N 0.351 121.020 120.500 0.282 0.000 2.105 363 R HA -0.165 4.174 4.340 -0.002 0.000 0.239 363 R C 2.258 178.597 176.300 0.065 0.000 1.135 363 R CA 1.299 57.516 56.100 0.195 0.000 0.967 363 R CB -0.976 29.384 30.300 0.100 0.000 0.861 363 R HN 0.389 nan 8.270 nan 0.000 0.442 364 A N 0.505 123.306 122.820 -0.032 0.000 2.014 364 A HA -0.054 4.265 4.320 -0.002 0.000 0.218 364 A C 2.005 179.518 177.584 -0.119 0.000 1.163 364 A CA 1.366 53.358 52.037 -0.076 0.000 0.652 364 A CB -0.354 18.581 19.000 -0.109 0.000 0.808 364 A HN 0.254 nan 8.150 nan 0.000 0.449 365 T N -0.072 114.358 114.554 -0.207 0.000 2.937 365 T HA -0.037 4.312 4.350 -0.002 0.000 0.260 365 T C 1.736 176.348 174.700 -0.147 0.000 1.051 365 T CA 1.093 63.016 62.100 -0.296 0.000 1.141 365 T CB -0.266 68.231 68.868 -0.618 0.000 0.879 365 T HN 0.261 nan 8.240 nan 0.000 0.459 366 L N 2.082 123.283 121.223 -0.037 0.000 2.187 366 L HA 0.030 4.369 4.340 -0.002 0.000 0.213 366 L C 1.979 178.924 176.870 0.126 0.000 1.100 366 L CA 1.289 56.219 54.840 0.149 0.000 0.765 366 L CB -0.698 41.533 42.059 0.287 0.000 0.904 366 L HN 0.433 nan 8.230 nan 0.000 0.437 367 I N -1.472 119.135 120.570 0.060 0.000 2.339 367 I HA -0.018 4.151 4.170 -0.002 0.000 0.245 367 I C -0.585 175.538 176.117 0.010 0.000 1.096 367 I CA 0.499 61.823 61.300 0.041 0.000 1.408 367 I CB -1.439 36.568 38.000 0.012 0.000 1.092 367 I HN 0.128 nan 8.210 nan 0.000 0.423 368 P HA -0.124 nan 4.420 nan 0.000 0.220 368 P C 1.836 179.145 177.300 0.015 0.000 1.148 368 P CA 2.200 65.288 63.100 -0.020 0.000 0.803 368 P CB -0.352 31.325 31.700 -0.039 0.000 0.782 369 T N -1.255 113.337 114.554 0.064 0.000 2.777 369 T HA -0.187 4.162 4.350 -0.002 0.000 0.266 369 T C 1.763 176.513 174.700 0.083 0.000 1.040 369 T CA 1.358 63.525 62.100 0.112 0.000 1.141 369 T CB -1.451 67.558 68.868 0.235 0.000 0.868 369 T HN 0.163 nan 8.240 nan 0.000 0.444 370 I N 1.195 121.815 120.570 0.083 0.000 2.756 370 I HA 0.285 4.454 4.170 -0.002 0.000 0.262 370 I C 2.436 178.566 176.117 0.021 0.000 1.225 370 I CA 0.958 62.307 61.300 0.082 0.000 1.472 370 I CB -0.762 37.322 38.000 0.139 0.000 1.094 370 I HN 0.262 nan 8.210 nan 0.000 0.454 371 A N 0.504 123.317 122.820 -0.013 0.000 2.121 371 A HA -0.022 4.297 4.320 -0.002 0.000 0.218 371 A C 2.250 179.821 177.584 -0.022 0.000 1.154 371 A CA 1.738 53.747 52.037 -0.046 0.000 0.679 371 A CB -0.957 18.007 19.000 -0.059 0.000 0.795 371 A HN 0.393 nan 8.150 nan 0.000 0.458 372 V N 0.389 120.309 119.914 0.009 0.000 2.255 372 V HA -0.109 4.010 4.120 -0.002 0.000 0.243 372 V C -0.146 175.965 176.094 0.029 0.000 1.038 372 V CA 2.145 64.456 62.300 0.019 0.000 1.008 372 V CB -1.465 30.381 31.823 0.038 0.000 0.645 372 V HN 0.331 nan 8.190 nan 0.000 0.449 373 P HA -0.143 nan 4.420 nan 0.000 0.217 373 P C 1.877 179.209 177.300 0.053 0.000 1.151 373 P CA 1.439 64.575 63.100 0.060 0.000 0.849 373 P CB -0.091 31.653 31.700 0.074 0.000 0.787 374 V N -0.144 119.786 119.914 0.028 0.000 2.270 374 V HA -0.181 3.938 4.120 -0.002 0.000 0.245 374 V C 2.556 178.645 176.094 -0.010 0.000 1.043 374 V CA 2.173 64.475 62.300 0.004 0.000 1.014 374 V CB -1.413 30.383 31.823 -0.044 0.000 0.645 374 V HN 0.034 nan 8.190 nan 0.000 0.447 375 V N -2.090 117.806 119.914 -0.029 0.000 2.667 375 V HA -0.112 4.007 4.120 -0.002 0.000 0.252 375 V C 2.135 178.201 176.094 -0.045 0.000 1.065 375 V CA 1.447 63.716 62.300 -0.052 0.000 1.083 375 V CB -0.737 31.044 31.823 -0.071 0.000 0.692 375 V HN 0.409 nan 8.190 nan 0.000 0.468 376 L N -0.747 120.474 121.223 -0.003 0.000 2.007 376 L HA -0.044 4.295 4.340 -0.002 0.000 0.205 376 L C 2.621 179.584 176.870 0.154 0.000 1.073 376 L CA 1.336 56.187 54.840 0.019 0.000 0.744 376 L CB -0.608 41.501 42.059 0.082 0.000 0.898 376 L HN 0.299 nan 8.230 nan 0.000 0.435 377 L N 0.275 121.629 121.223 0.218 0.000 2.042 377 L HA -0.143 4.196 4.340 -0.002 0.000 0.210 377 L C 2.629 179.603 176.870 0.173 0.000 1.076 377 L CA 2.075 57.072 54.840 0.263 0.000 0.749 377 L CB -1.665 40.466 42.059 0.120 0.000 0.893 377 L HN 0.241 nan 8.230 nan 0.000 0.432 378 G N -2.120 106.721 108.800 0.068 0.000 2.476 378 G HA2 -0.357 3.602 3.960 -0.002 0.000 0.218 378 G HA3 -0.357 3.602 3.960 -0.002 0.000 0.218 378 G C 1.730 176.617 174.900 -0.021 0.000 1.164 378 G CA 1.456 46.562 45.100 0.011 0.000 0.768 378 G HN 0.389 nan 8.290 nan 0.000 0.560 379 T N -0.470 114.041 114.554 -0.071 0.000 2.867 379 T HA -0.044 4.305 4.350 -0.002 0.000 0.268 379 T C 2.085 176.685 174.700 -0.167 0.000 1.057 379 T CA 1.122 63.118 62.100 -0.173 0.000 1.136 379 T CB -0.363 68.353 68.868 -0.254 0.000 0.874 379 T HN 0.243 nan 8.240 nan 0.000 0.466 380 F N 1.305 121.208 119.950 -0.077 0.000 2.091 380 F HA 0.001 4.527 4.527 -0.002 0.000 0.299 380 F C 2.702 178.467 175.800 -0.058 0.000 1.103 380 F CA 1.251 59.219 58.000 -0.055 0.000 1.228 380 F CB -0.717 38.264 39.000 -0.032 0.000 0.984 380 F HN 0.308 nan 8.300 nan 0.000 0.477 381 G N -0.239 108.642 108.800 0.134 0.000 2.440 381 G HA2 -0.225 3.733 3.960 -0.002 0.000 0.218 381 G HA3 -0.225 3.733 3.960 -0.002 0.000 0.218 381 G C 1.683 176.573 174.900 -0.016 0.000 1.154 381 G CA 1.274 46.406 45.100 0.053 0.000 0.767 381 G HN 0.262 nan 8.290 nan 0.000 0.552 382 V N 1.097 120.953 119.914 -0.096 0.000 2.295 382 V HA -0.161 3.958 4.120 -0.002 0.000 0.246 382 V C 2.896 178.816 176.094 -0.289 0.000 1.049 382 V CA 1.510 63.674 62.300 -0.228 0.000 1.024 382 V CB -0.685 30.934 31.823 -0.339 0.000 0.648 382 V HN 0.338 nan 8.190 nan 0.000 0.447 383 L N 0.363 121.441 121.223 -0.240 0.000 1.971 383 L HA -0.268 4.071 4.340 -0.002 0.000 0.215 383 L C 2.877 179.718 176.870 -0.047 0.000 1.072 383 L CA 1.980 56.701 54.840 -0.198 0.000 0.758 383 L CB -1.047 40.997 42.059 -0.026 0.000 0.889 383 L HN 0.383 nan 8.230 nan 0.000 0.433 384 A N 0.004 122.848 122.820 0.041 0.000 1.896 384 A HA -0.338 3.980 4.320 -0.002 0.000 0.220 384 A C 2.514 180.141 177.584 0.071 0.000 1.206 384 A CA 2.569 54.652 52.037 0.075 0.000 0.647 384 A CB -1.032 18.011 19.000 0.072 0.000 0.828 384 A HN 0.501 nan 8.150 nan 0.000 0.455 385 A N -1.468 121.385 122.820 0.054 0.000 1.873 385 A HA -0.077 4.242 4.320 -0.002 0.000 0.218 385 A C 1.828 179.535 177.584 0.205 0.000 1.193 385 A CA 1.787 53.893 52.037 0.114 0.000 0.629 385 A CB -0.770 18.302 19.000 0.120 0.000 0.826 385 A HN 0.491 nan 8.150 nan 0.000 0.447 386 F N -0.074 119.758 119.950 -0.196 0.000 2.771 386 F HA 0.271 4.797 4.527 -0.002 0.000 0.299 386 F C 1.813 177.569 175.800 -0.073 0.000 1.177 386 F CA 0.115 57.958 58.000 -0.263 0.000 1.450 386 F CB -0.888 37.707 39.000 -0.675 0.000 1.114 386 F HN 0.394 nan 8.300 nan 0.000 0.587 387 G N 0.487 109.396 108.800 0.182 0.000 2.353 387 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.294 387 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.294 387 G C -0.077 175.115 174.900 0.488 0.000 1.077 387 G CA -0.275 44.971 45.100 0.243 0.000 1.098 387 G HN 0.092 nan 8.290 nan 0.000 0.511 388 F N 0.145 120.156 119.950 0.102 0.000 2.544 388 F HA 0.877 5.403 4.527 -0.002 0.000 0.378 388 F C 1.062 176.901 175.800 0.066 0.000 1.112 388 F CA -1.188 56.860 58.000 0.079 0.000 1.115 388 F CB 1.440 40.481 39.000 0.070 0.000 1.436 388 F HN 0.474 nan 8.300 nan 0.000 0.496 389 S N -0.634 115.208 115.700 0.237 0.000 2.740 389 S HA 0.645 5.114 4.470 -0.002 0.000 0.300 389 S C -0.642 174.039 174.600 0.134 0.000 1.147 389 S CA -0.846 57.441 58.200 0.145 0.000 0.871 389 S CB 1.510 64.755 63.200 0.075 0.000 1.173 389 S HN 0.351 nan 8.310 nan 0.000 0.510 390 I N 2.852 123.490 120.570 0.113 0.000 2.227 390 I HA 0.165 4.334 4.170 -0.002 0.000 0.297 390 I C -0.154 175.972 176.117 0.015 0.000 1.173 390 I CA -0.477 60.888 61.300 0.109 0.000 1.356 390 I CB -1.143 36.945 38.000 0.146 0.000 1.485 390 I HN 0.450 nan 8.210 nan 0.000 0.604 391 N N 2.426 121.114 118.700 -0.020 0.000 2.328 391 N HA 0.114 4.853 4.740 -0.002 0.000 0.277 391 N C 1.499 176.886 175.510 -0.206 0.000 1.286 391 N CA -0.098 52.886 53.050 -0.110 0.000 0.949 391 N CB 0.228 38.668 38.487 -0.079 0.000 1.136 391 N HN 0.423 nan 8.380 nan 0.000 0.550 392 T N -2.581 111.752 114.554 -0.368 0.000 3.054 392 T HA 0.108 4.457 4.350 -0.002 0.000 0.259 392 T C 1.645 175.949 174.700 -0.659 0.000 1.092 392 T CA 0.153 61.883 62.100 -0.617 0.000 1.121 392 T CB -0.017 68.404 68.868 -0.745 0.000 0.912 392 T HN 0.124 nan 8.240 nan 0.000 0.489 393 L N 2.602 123.714 121.223 -0.185 0.000 2.023 393 L HA -0.002 4.337 4.340 -0.002 0.000 0.205 393 L C 3.175 180.172 176.870 0.211 0.000 1.073 393 L CA 2.536 57.467 54.840 0.151 0.000 0.745 393 L CB -1.741 40.446 42.059 0.214 0.000 0.900 393 L HN 0.595 nan 8.230 nan 0.000 0.435 394 T N -3.524 111.069 114.554 0.065 0.000 2.867 394 T HA -0.187 4.162 4.350 -0.002 0.000 0.268 394 T C 1.899 176.570 174.700 -0.049 0.000 1.057 394 T CA 0.789 62.894 62.100 0.008 0.000 1.136 394 T CB -0.154 68.720 68.868 0.010 0.000 0.874 394 T HN 0.004 nan 8.240 nan 0.000 0.466 395 M N 0.304 119.867 119.600 -0.062 0.000 2.229 395 M HA 0.206 4.685 4.480 -0.002 0.000 0.264 395 M C 1.997 178.385 176.300 0.146 0.000 1.063 395 M CA 0.954 56.237 55.300 -0.028 0.000 1.114 395 M CB -1.153 31.393 32.600 -0.089 0.000 1.387 395 M HN 0.389 nan 8.290 nan 0.000 0.420 396 F N -0.525 119.504 119.950 0.131 0.000 2.163 396 F HA -0.058 4.468 4.527 -0.002 0.000 0.297 396 F C 2.464 178.394 175.800 0.216 0.000 1.094 396 F CA 0.459 58.588 58.000 0.215 0.000 1.290 396 F CB -0.701 38.513 39.000 0.356 0.000 1.017 396 F HN 0.241 nan 8.300 nan 0.000 0.483 397 G N 0.818 109.777 108.800 0.265 0.000 2.513 397 G HA2 -0.304 3.655 3.960 -0.002 0.000 0.219 397 G HA3 -0.304 3.655 3.960 -0.002 0.000 0.219 397 G C 1.595 176.384 174.900 -0.186 0.000 1.160 397 G CA 1.055 45.953 45.100 -0.337 0.000 0.767 397 G HN 0.197 nan 8.290 nan 0.000 0.571 398 M N -0.167 119.358 119.600 -0.126 0.000 2.067 398 M HA -0.053 4.426 4.480 -0.002 0.000 0.260 398 M C 2.742 179.035 176.300 -0.012 0.000 1.069 398 M CA 1.399 56.626 55.300 -0.122 0.000 1.117 398 M CB -0.708 31.781 32.600 -0.185 0.000 1.334 398 M HN 0.171 nan 8.290 nan 0.000 0.407 399 V N 1.256 121.211 119.914 0.068 0.000 2.332 399 V HA -0.240 3.879 4.120 -0.002 0.000 0.248 399 V C 2.134 178.290 176.094 0.104 0.000 1.055 399 V CA 1.749 64.102 62.300 0.087 0.000 1.038 399 V CB -0.391 31.499 31.823 0.112 0.000 0.651 399 V HN 0.450 nan 8.190 nan 0.000 0.450 400 L N 0.062 121.375 121.223 0.149 0.000 2.079 400 L HA -0.135 4.204 4.340 -0.002 0.000 0.210 400 L C 2.801 179.786 176.870 0.192 0.000 1.081 400 L CA 1.794 56.778 54.840 0.239 0.000 0.752 400 L CB -0.891 41.356 42.059 0.314 0.000 0.896 400 L HN 0.509 nan 8.230 nan 0.000 0.433 401 A N 0.038 122.876 122.820 0.031 0.000 2.015 401 A HA -0.154 4.164 4.320 -0.002 0.000 0.219 401 A C 2.145 179.733 177.584 0.006 0.000 1.163 401 A CA 0.980 52.990 52.037 -0.044 0.000 0.646 401 A CB -0.500 18.419 19.000 -0.135 0.000 0.806 401 A HN 0.355 nan 8.150 nan 0.000 0.448 402 I N -0.204 120.394 120.570 0.047 0.000 2.194 402 I HA -0.274 3.895 4.170 -0.002 0.000 0.246 402 I C 2.515 178.684 176.117 0.087 0.000 1.093 402 I CA 1.533 62.867 61.300 0.056 0.000 1.355 402 I CB -0.715 37.324 38.000 0.065 0.000 1.046 402 I HN 0.436 nan 8.210 nan 0.000 0.413 403 G N 0.149 109.060 108.800 0.185 0.000 2.650 403 G HA2 -0.002 3.957 3.960 -0.002 0.000 0.214 403 G HA3 -0.002 3.957 3.960 -0.002 0.000 0.214 403 G C 1.610 176.542 174.900 0.055 0.000 1.136 403 G CA 0.077 45.331 45.100 0.257 0.000 0.789 403 G HN 0.255 nan 8.290 nan 0.000 0.536 404 L N 0.538 121.739 121.223 -0.037 0.000 2.286 404 L HA 0.164 4.503 4.340 -0.002 0.000 0.203 404 L C 2.691 179.511 176.870 -0.083 0.000 1.068 404 L CA 0.186 54.949 54.840 -0.128 0.000 0.811 404 L CB -0.432 41.529 42.059 -0.162 0.000 0.989 404 L HN 0.185 nan 8.230 nan 0.000 0.467 405 L N -0.699 120.486 121.223 -0.062 0.000 2.083 405 L HA -0.064 4.275 4.340 -0.002 0.000 0.209 405 L C 2.265 179.103 176.870 -0.054 0.000 1.083 405 L CA 1.602 56.404 54.840 -0.063 0.000 0.752 405 L CB -1.737 40.284 42.059 -0.063 0.000 0.899 405 L HN 0.039 nan 8.230 nan 0.000 0.433 406 V N 1.348 121.240 119.914 -0.036 0.000 2.594 406 V HA -0.238 3.881 4.120 -0.002 0.000 0.253 406 V C 2.352 178.415 176.094 -0.052 0.000 1.069 406 V CA 1.758 64.038 62.300 -0.034 0.000 1.082 406 V CB -1.025 30.792 31.823 -0.010 0.000 0.680 406 V HN 0.332 nan 8.190 nan 0.000 0.469 407 D N 0.646 121.010 120.400 -0.061 0.000 2.116 407 D HA -0.192 4.446 4.640 -0.002 0.000 0.193 407 D C 1.889 178.147 176.300 -0.071 0.000 0.998 407 D CA 1.814 55.770 54.000 -0.073 0.000 0.836 407 D CB -0.268 40.481 40.800 -0.085 0.000 0.951 407 D HN 0.468 nan 8.370 nan 0.000 0.449 408 D N -0.519 119.840 120.400 -0.069 0.000 2.117 408 D HA -0.012 4.626 4.640 -0.002 0.000 0.198 408 D C 1.954 178.215 176.300 -0.066 0.000 0.982 408 D CA 1.349 55.309 54.000 -0.066 0.000 0.828 408 D CB -0.335 40.425 40.800 -0.068 0.000 0.967 408 D HN 0.168 nan 8.370 nan 0.000 0.464 409 A N 0.923 123.702 122.820 -0.068 0.000 1.908 409 A HA -0.186 4.132 4.320 -0.002 0.000 0.218 409 A C 2.108 179.653 177.584 -0.064 0.000 1.181 409 A CA 0.947 52.943 52.037 -0.069 0.000 0.627 409 A CB -0.636 18.323 19.000 -0.067 0.000 0.818 409 A HN 0.139 nan 8.150 nan 0.000 0.445 410 I N 0.014 120.544 120.570 -0.065 0.000 2.151 410 I HA -0.226 3.943 4.170 -0.002 0.000 0.243 410 I C 2.560 178.639 176.117 -0.063 0.000 1.080 410 I CA 1.410 62.668 61.300 -0.070 0.000 1.339 410 I CB -1.387 36.564 38.000 -0.082 0.000 1.039 410 I HN 0.173 nan 8.210 nan 0.000 0.409 411 V N 0.528 120.408 119.914 -0.058 0.000 2.252 411 V HA -0.282 3.837 4.120 -0.002 0.000 0.249 411 V C 2.668 178.740 176.094 -0.036 0.000 1.056 411 V CA 1.615 63.889 62.300 -0.043 0.000 1.022 411 V CB -0.795 31.006 31.823 -0.037 0.000 0.641 411 V HN 0.182 nan 8.190 nan 0.000 0.445 412 V N -0.049 119.840 119.914 -0.042 0.000 2.219 412 V HA -0.281 3.838 4.120 -0.002 0.000 0.248 412 V C 2.449 178.519 176.094 -0.039 0.000 1.053 412 V CA 2.353 64.629 62.300 -0.040 0.000 1.009 412 V CB -0.642 31.151 31.823 -0.050 0.000 0.636 412 V HN 0.424 nan 8.190 nan 0.000 0.445 413 V N -0.355 119.531 119.914 -0.047 0.000 2.380 413 V HA -0.334 3.785 4.120 -0.002 0.000 0.251 413 V C 2.349 178.417 176.094 -0.043 0.000 1.063 413 V CA 2.335 64.607 62.300 -0.046 0.000 1.055 413 V CB -0.792 30.997 31.823 -0.056 0.000 0.657 413 V HN 0.632 nan 8.190 nan 0.000 0.455 414 E N -0.078 120.097 120.200 -0.042 0.000 2.072 414 E HA -0.164 4.185 4.350 -0.002 0.000 0.190 414 E C 2.129 178.716 176.600 -0.022 0.000 0.982 414 E CA 1.186 57.565 56.400 -0.036 0.000 0.803 414 E CB -0.156 29.522 29.700 -0.037 0.000 0.755 414 E HN 0.629 nan 8.360 nan 0.000 0.453 415 N N 0.200 118.890 118.700 -0.016 0.000 2.025 415 N HA -0.166 4.573 4.740 -0.002 0.000 0.194 415 N C 1.819 177.320 175.510 -0.015 0.000 1.044 415 N CA 1.252 54.296 53.050 -0.010 0.000 0.851 415 N CB -0.311 38.171 38.487 -0.008 0.000 1.036 415 N HN -0.085 nan 8.380 nan 0.000 0.422 416 V N 0.814 120.717 119.914 -0.019 0.000 2.311 416 V HA -0.302 3.817 4.120 -0.002 0.000 0.256 416 V C 2.191 178.273 176.094 -0.020 0.000 1.077 416 V CA 2.022 64.310 62.300 -0.019 0.000 1.067 416 V CB -0.591 31.219 31.823 -0.022 0.000 0.659 416 V HN 0.367 nan 8.190 nan 0.000 0.451 417 E N 0.115 120.300 120.200 -0.025 0.000 2.072 417 E HA -0.206 4.143 4.350 -0.002 0.000 0.191 417 E C 2.219 178.806 176.600 -0.021 0.000 0.985 417 E CA 1.403 57.787 56.400 -0.028 0.000 0.801 417 E CB -0.113 29.565 29.700 -0.037 0.000 0.750 417 E HN 0.775 nan 8.360 nan 0.000 0.452 418 R N -0.130 120.360 120.500 -0.016 0.000 2.062 418 R HA -0.030 4.308 4.340 -0.002 0.000 0.226 418 R C 2.348 178.642 176.300 -0.011 0.000 1.125 418 R CA 1.385 57.478 56.100 -0.011 0.000 0.966 418 R CB -1.663 28.635 30.300 -0.004 0.000 0.861 418 R HN 0.190 nan 8.270 nan 0.000 0.433 419 V N -1.304 118.603 119.914 -0.012 0.000 2.867 419 V HA -0.072 4.047 4.120 -0.002 0.000 0.260 419 V C 2.067 178.154 176.094 -0.011 0.000 1.099 419 V CA 1.876 64.169 62.300 -0.012 0.000 1.122 419 V CB -0.629 31.187 31.823 -0.012 0.000 0.708 419 V HN 0.343 nan 8.190 nan 0.000 0.490 420 M N -0.012 119.580 119.600 -0.012 0.000 2.419 420 M HA 0.182 4.661 4.480 -0.002 0.000 0.264 420 M C 2.033 178.327 176.300 -0.012 0.000 1.082 420 M CA 1.487 56.780 55.300 -0.012 0.000 1.119 420 M CB -0.030 32.561 32.600 -0.015 0.000 1.398 420 M HN 0.531 nan 8.290 nan 0.000 0.453 421 A N -0.743 122.070 122.820 -0.012 0.000 2.085 421 A HA 0.050 4.369 4.320 -0.002 0.000 0.208 421 A C 1.682 179.261 177.584 -0.007 0.000 1.191 421 A CA 0.335 52.366 52.037 -0.010 0.000 0.799 421 A CB -0.185 18.808 19.000 -0.011 0.000 0.877 421 A HN 0.459 nan 8.150 nan 0.000 0.473 422 E N -0.111 120.085 120.200 -0.008 0.000 2.274 422 E HA -0.091 4.258 4.350 -0.002 0.000 0.194 422 E C 0.704 177.300 176.600 -0.007 0.000 0.996 422 E CA 1.076 57.472 56.400 -0.007 0.000 0.840 422 E CB 0.052 29.747 29.700 -0.009 0.000 0.772 422 E HN 0.708 nan 8.360 nan 0.000 0.491 423 E N -1.426 118.770 120.200 -0.007 0.000 2.702 423 E HA 0.127 4.476 4.350 -0.002 0.000 0.225 423 E C 0.627 177.224 176.600 -0.006 0.000 0.942 423 E CA 0.237 56.633 56.400 -0.007 0.000 1.210 423 E CB 1.525 31.221 29.700 -0.008 0.000 1.143 423 E HN 0.238 nan 8.360 nan 0.000 0.544 424 G N 1.974 110.770 108.800 -0.006 0.000 2.200 424 G HA2 -0.305 3.653 3.960 -0.002 0.000 0.267 424 G HA3 -0.305 3.653 3.960 -0.002 0.000 0.267 424 G C 0.306 175.202 174.900 -0.005 0.000 0.993 424 G CA 0.365 45.462 45.100 -0.006 0.000 0.701 424 G HN 0.085 nan 8.290 nan 0.000 0.524 425 L N 1.277 122.497 121.223 -0.006 0.000 2.492 425 L HA 0.405 4.744 4.340 -0.002 0.000 0.280 425 L C 1.651 178.518 176.870 -0.005 0.000 1.240 425 L CA 0.465 55.302 54.840 -0.005 0.000 0.831 425 L CB 0.424 42.480 42.059 -0.006 0.000 1.100 425 L HN 0.581 nan 8.230 nan 0.000 0.505 426 S N 1.527 117.225 115.700 -0.004 0.000 2.593 426 S HA 0.302 4.771 4.470 -0.002 0.000 0.269 426 S C -1.843 172.754 174.600 -0.004 0.000 1.334 426 S CA -0.960 57.238 58.200 -0.003 0.000 1.015 426 S CB 0.536 63.736 63.200 -0.001 0.000 0.912 426 S HN 0.505 nan 8.310 nan 0.000 0.541 427 P HA -0.157 nan 4.420 nan 0.000 0.216 427 P C 1.702 179.001 177.300 -0.002 0.000 1.157 427 P CA 1.265 64.363 63.100 -0.004 0.000 0.880 427 P CB -0.005 31.694 31.700 -0.001 0.000 0.791 428 R N -0.352 120.149 120.500 0.002 0.000 2.091 428 R HA -0.174 4.165 4.340 -0.002 0.000 0.238 428 R C 2.108 178.409 176.300 0.001 0.000 1.136 428 R CA 1.403 57.505 56.100 0.003 0.000 0.959 428 R CB -0.343 29.960 30.300 0.005 0.000 0.856 428 R HN 0.106 nan 8.270 nan 0.000 0.437 429 E N -0.036 120.164 120.200 0.000 0.000 2.076 429 E HA -0.061 4.288 4.350 -0.002 0.000 0.190 429 E C 1.821 178.419 176.600 -0.003 0.000 0.979 429 E CA 1.092 57.492 56.400 -0.001 0.000 0.807 429 E CB -0.209 29.490 29.700 -0.001 0.000 0.761 429 E HN 0.379 nan 8.360 nan 0.000 0.454 430 A N 1.427 124.244 122.820 -0.005 0.000 1.940 430 A HA -0.162 4.156 4.320 -0.002 0.000 0.219 430 A C 2.390 179.970 177.584 -0.007 0.000 1.176 430 A CA 2.207 54.239 52.037 -0.007 0.000 0.631 430 A CB -0.581 18.414 19.000 -0.009 0.000 0.814 430 A HN 0.265 nan 8.150 nan 0.000 0.446 431 A N -0.396 122.421 122.820 -0.006 0.000 1.877 431 A HA -0.156 4.163 4.320 -0.002 0.000 0.216 431 A C 2.252 179.835 177.584 -0.002 0.000 1.186 431 A CA 1.582 53.615 52.037 -0.006 0.000 0.620 431 A CB -0.478 18.519 19.000 -0.005 0.000 0.822 431 A HN 0.543 nan 8.150 nan 0.000 0.443 432 R N -0.378 120.123 120.500 0.002 0.000 2.080 432 R HA -0.126 4.213 4.340 -0.002 0.000 0.236 432 R C 2.205 178.506 176.300 0.002 0.000 1.137 432 R CA 1.660 57.764 56.100 0.006 0.000 0.943 432 R CB -0.234 30.070 30.300 0.007 0.000 0.846 432 R HN 0.310 nan 8.270 nan 0.000 0.431 433 K N 0.389 120.788 120.400 -0.002 0.000 2.057 433 K HA -0.101 4.218 4.320 -0.002 0.000 0.207 433 K C 2.227 178.823 176.600 -0.008 0.000 1.049 433 K CA 1.895 58.179 56.287 -0.005 0.000 0.931 433 K CB -0.477 32.019 32.500 -0.007 0.000 0.714 433 K HN 0.263 nan 8.250 nan 0.000 0.440 434 S N 1.120 116.815 115.700 -0.008 0.000 2.345 434 S HA -0.103 4.366 4.470 -0.002 0.000 0.220 434 S C 2.085 176.679 174.600 -0.010 0.000 1.031 434 S CA 0.920 59.113 58.200 -0.011 0.000 0.996 434 S CB -0.249 62.944 63.200 -0.012 0.000 0.882 434 S HN 0.012 nan 8.310 nan 0.000 0.445 435 M N 2.341 121.937 119.600 -0.007 0.000 2.192 435 M HA -0.036 4.443 4.480 -0.002 0.000 0.259 435 M C 2.313 178.611 176.300 -0.004 0.000 1.071 435 M CA 1.389 56.686 55.300 -0.005 0.000 1.082 435 M CB -2.390 30.212 32.600 0.003 0.000 1.373 435 M HN 0.581 nan 8.290 nan 0.000 0.408 436 G N 0.846 109.645 108.800 -0.003 0.000 2.587 436 G HA2 -0.193 3.765 3.960 -0.002 0.000 0.217 436 G HA3 -0.193 3.765 3.960 -0.002 0.000 0.217 436 G C 0.734 175.628 174.900 -0.011 0.000 1.240 436 G CA 0.591 45.688 45.100 -0.005 0.000 0.794 436 G HN 0.635 nan 8.290 nan 0.000 0.580 437 Q N 0.223 120.014 119.800 -0.014 0.000 2.584 437 Q HA 0.280 4.619 4.340 -0.002 0.000 0.235 437 Q C 1.207 177.197 176.000 -0.016 0.000 1.079 437 Q CA 0.256 56.048 55.803 -0.019 0.000 0.977 437 Q CB 0.441 29.165 28.738 -0.024 0.000 1.293 437 Q HN 1.215 nan 8.270 nan 0.000 0.553 438 I N -4.749 115.811 120.570 -0.016 0.000 5.435 438 I HA -0.414 3.754 4.170 -0.002 0.000 0.252 438 I C 1.117 177.223 176.117 -0.018 0.000 1.714 438 I CA 2.161 63.454 61.300 -0.012 0.000 1.669 438 I CB -1.814 36.185 38.000 -0.003 0.000 3.059 438 I HN 0.878 nan 8.210 nan 0.000 0.338 439 Q N 1.111 120.899 119.800 -0.019 0.000 2.230 439 Q HA 0.084 4.423 4.340 -0.002 0.000 0.202 439 Q C 2.081 178.065 176.000 -0.027 0.000 0.963 439 Q CA 1.549 57.339 55.803 -0.021 0.000 0.866 439 Q CB -0.202 28.528 28.738 -0.014 0.000 0.931 439 Q HN 0.832 nan 8.270 nan 0.000 0.452 440 G N -0.882 107.900 108.800 -0.030 0.000 2.796 440 G HA2 0.094 4.053 3.960 -0.002 0.000 0.210 440 G HA3 0.094 4.053 3.960 -0.002 0.000 0.210 440 G C 1.187 176.060 174.900 -0.044 0.000 1.146 440 G CA 0.394 45.471 45.100 -0.039 0.000 0.779 440 G HN 0.352 nan 8.290 nan 0.000 0.535 441 A N 0.128 122.928 122.820 -0.033 0.000 2.216 441 A HA 0.288 4.607 4.320 -0.002 0.000 0.214 441 A C 1.980 179.543 177.584 -0.036 0.000 1.160 441 A CA 0.789 52.809 52.037 -0.028 0.000 0.725 441 A CB -0.090 18.909 19.000 -0.000 0.000 0.784 441 A HN 0.291 nan 8.150 nan 0.000 0.472 442 L N -1.799 119.400 121.223 -0.040 0.000 2.470 442 L HA 0.113 4.452 4.340 -0.002 0.000 0.219 442 L C 2.051 178.890 176.870 -0.051 0.000 1.071 442 L CA 0.984 55.796 54.840 -0.046 0.000 0.850 442 L CB 0.187 42.219 42.059 -0.045 0.000 1.040 442 L HN 0.155 nan 8.230 nan 0.000 0.475 443 V N -1.222 118.662 119.914 -0.050 0.000 3.174 443 V HA 0.182 4.301 4.120 -0.002 0.000 0.254 443 V C 2.200 178.259 176.094 -0.058 0.000 1.120 443 V CA 1.204 63.474 62.300 -0.051 0.000 1.114 443 V CB -0.358 31.438 31.823 -0.045 0.000 0.756 443 V HN 0.429 nan 8.190 nan 0.000 0.467 444 G N 1.425 110.184 108.800 -0.069 0.000 2.417 444 G HA2 -0.126 3.833 3.960 -0.002 0.000 0.212 444 G HA3 -0.126 3.833 3.960 -0.002 0.000 0.212 444 G C 1.552 176.393 174.900 -0.098 0.000 1.187 444 G CA 0.906 45.952 45.100 -0.091 0.000 0.804 444 G HN 0.579 nan 8.290 nan 0.000 0.534 445 I N -0.551 119.963 120.570 -0.092 0.000 2.361 445 I HA 0.026 4.195 4.170 -0.002 0.000 0.251 445 I C 2.712 178.787 176.117 -0.070 0.000 1.133 445 I CA 1.595 62.841 61.300 -0.090 0.000 1.413 445 I CB -0.297 37.657 38.000 -0.076 0.000 1.073 445 I HN 0.135 nan 8.210 nan 0.000 0.424 446 A N 1.128 123.913 122.820 -0.058 0.000 1.930 446 A HA -0.122 4.197 4.320 -0.002 0.000 0.217 446 A C 2.409 179.974 177.584 -0.031 0.000 1.175 446 A CA 1.851 53.863 52.037 -0.042 0.000 0.627 446 A CB -0.628 18.345 19.000 -0.044 0.000 0.815 446 A HN 0.583 nan 8.150 nan 0.000 0.443 447 M N -0.685 118.889 119.600 -0.044 0.000 2.229 447 M HA -0.094 4.385 4.480 -0.002 0.000 0.264 447 M C 1.832 178.108 176.300 -0.040 0.000 1.063 447 M CA 1.336 56.614 55.300 -0.037 0.000 1.114 447 M CB -0.103 32.467 32.600 -0.050 0.000 1.387 447 M HN 0.210 nan 8.290 nan 0.000 0.420 448 V N 0.038 119.914 119.914 -0.064 0.000 2.283 448 V HA -0.231 3.888 4.120 -0.002 0.000 0.243 448 V C 2.247 178.304 176.094 -0.061 0.000 1.039 448 V CA 1.348 63.604 62.300 -0.073 0.000 1.016 448 V CB -0.778 30.982 31.823 -0.104 0.000 0.650 448 V HN 0.524 nan 8.190 nan 0.000 0.449 449 L N 0.073 121.267 121.223 -0.049 0.000 2.263 449 L HA -0.162 4.176 4.340 -0.002 0.000 0.216 449 L C 2.084 178.970 176.870 0.028 0.000 1.111 449 L CA 2.077 56.899 54.840 -0.029 0.000 0.773 449 L CB -0.692 41.363 42.059 -0.006 0.000 0.906 449 L HN 0.393 nan 8.230 nan 0.000 0.439 450 S N -0.549 115.183 115.700 0.052 0.000 2.486 450 S HA 0.144 4.613 4.470 -0.002 0.000 0.220 450 S C 1.968 176.625 174.600 0.094 0.000 1.011 450 S CA 0.597 58.885 58.200 0.146 0.000 0.921 450 S CB 0.223 63.482 63.200 0.098 0.000 0.785 450 S HN 0.610 nan 8.310 nan 0.000 0.517 451 A N 1.141 123.965 122.820 0.006 0.000 2.067 451 A HA 0.003 4.322 4.320 -0.002 0.000 0.219 451 A C 2.104 179.653 177.584 -0.058 0.000 1.158 451 A CA 0.939 52.975 52.037 -0.002 0.000 0.661 451 A CB -0.647 18.343 19.000 -0.018 0.000 0.801 451 A HN 0.339 nan 8.150 nan 0.000 0.452 452 V N -1.386 118.395 119.914 -0.222 0.000 2.407 452 V HA -0.251 3.867 4.120 -0.002 0.000 0.248 452 V C 2.079 177.930 176.094 -0.404 0.000 1.055 452 V CA 2.136 64.175 62.300 -0.436 0.000 1.049 452 V CB -0.896 30.419 31.823 -0.846 0.000 0.662 452 V HN 0.665 nan 8.190 nan 0.000 0.455 453 F N -1.763 118.238 119.950 0.084 0.000 2.714 453 F HA 0.223 4.749 4.527 -0.002 0.000 0.294 453 F C 1.982 177.863 175.800 0.134 0.000 1.120 453 F CA 0.123 58.188 58.000 0.108 0.000 1.398 453 F CB -0.266 38.789 39.000 0.090 0.000 1.120 453 F HN -0.020 nan 8.300 nan 0.000 0.589 454 L N 0.957 122.344 121.223 0.274 0.000 2.013 454 L HA -0.177 4.161 4.340 -0.002 0.000 0.212 454 L C -0.326 176.777 176.870 0.388 0.000 1.073 454 L CA 1.877 56.895 54.840 0.297 0.000 0.753 454 L CB -1.750 40.457 42.059 0.246 0.000 0.890 454 L HN 0.073 nan 8.230 nan 0.000 0.432 455 P HA -0.203 nan 4.420 nan 0.000 0.218 455 P C 1.817 179.383 177.300 0.444 0.000 1.148 455 P CA 1.448 64.739 63.100 0.319 0.000 0.822 455 P CB 0.003 31.838 31.700 0.225 0.000 0.784 456 M N -0.655 119.182 119.600 0.395 0.000 2.226 456 M HA -0.286 4.193 4.480 -0.002 0.000 0.257 456 M C 2.149 178.724 176.300 0.459 0.000 1.070 456 M CA 2.511 58.044 55.300 0.388 0.000 1.087 456 M CB -1.101 31.641 32.600 0.237 0.000 1.278 456 M HN -0.081 nan 8.290 nan 0.000 0.426 457 A N -0.311 122.660 122.820 0.251 0.000 2.009 457 A HA -0.219 4.100 4.320 -0.002 0.000 0.222 457 A C 1.538 179.060 177.584 -0.102 0.000 1.175 457 A CA 1.864 53.907 52.037 0.011 0.000 0.651 457 A CB -1.208 17.630 19.000 -0.271 0.000 0.815 457 A HN 0.558 nan 8.150 nan 0.000 0.459 458 F N -1.767 118.236 119.950 0.088 0.000 2.693 458 F HA 0.331 4.857 4.527 -0.002 0.000 0.303 458 F C 0.219 175.914 175.800 -0.176 0.000 1.143 458 F CA -0.368 57.593 58.000 -0.066 0.000 1.389 458 F CB -0.243 38.655 39.000 -0.170 0.000 1.060 458 F HN 0.028 nan 8.300 nan 0.000 0.535 459 F N -0.280 119.808 119.950 0.230 0.000 2.378 459 F HA 0.601 5.127 4.527 -0.002 0.000 0.325 459 F C 1.120 176.994 175.800 0.123 0.000 1.097 459 F CA -0.765 57.350 58.000 0.192 0.000 1.079 459 F CB 0.624 39.787 39.000 0.272 0.000 1.240 459 F HN -0.116 nan 8.300 nan 0.000 0.519 460 G N -0.189 108.781 108.800 0.284 0.000 2.613 460 G HA2 0.537 4.496 3.960 -0.002 0.000 0.303 460 G HA3 0.537 4.496 3.960 -0.002 0.000 0.303 460 G C -0.099 174.837 174.900 0.060 0.000 1.312 460 G CA -0.314 44.865 45.100 0.131 0.000 1.036 460 G HN 1.089 nan 8.290 nan 0.000 0.513 461 G N -1.019 107.784 108.800 0.005 0.000 2.894 461 G HA2 -0.098 3.860 3.960 -0.002 0.000 0.247 461 G HA3 -0.098 3.860 3.960 -0.002 0.000 0.247 461 G C 1.229 176.080 174.900 -0.082 0.000 1.442 461 G CA 0.359 45.425 45.100 -0.056 0.000 0.897 461 G HN 1.300 nan 8.290 nan 0.000 0.550 462 S N -0.107 115.517 115.700 -0.127 0.000 2.407 462 S HA -0.245 4.224 4.470 -0.002 0.000 0.235 462 S C 2.768 177.285 174.600 -0.139 0.000 1.036 462 S CA 3.176 61.307 58.200 -0.116 0.000 1.013 462 S CB -0.688 62.420 63.200 -0.155 0.000 0.820 462 S HN 1.568 nan 8.310 nan 0.000 0.476 463 T N 0.226 114.621 114.554 -0.264 0.000 2.708 463 T HA -0.045 4.304 4.350 -0.002 0.000 0.266 463 T C 2.051 176.504 174.700 -0.413 0.000 1.037 463 T CA 1.323 63.200 62.100 -0.371 0.000 1.146 463 T CB -1.192 67.428 68.868 -0.413 0.000 0.865 463 T HN 0.404 nan 8.240 nan 0.000 0.435 464 G N 1.007 109.733 108.800 -0.122 0.000 2.442 464 G HA2 -0.144 3.814 3.960 -0.002 0.000 0.219 464 G HA3 -0.144 3.814 3.960 -0.002 0.000 0.219 464 G C 1.677 176.620 174.900 0.073 0.000 1.141 464 G CA 0.883 46.048 45.100 0.109 0.000 0.763 464 G HN 0.468 nan 8.290 nan 0.000 0.554 465 V N 1.536 121.447 119.914 -0.004 0.000 2.343 465 V HA -0.159 3.959 4.120 -0.002 0.000 0.247 465 V C 2.815 178.900 176.094 -0.016 0.000 1.051 465 V CA 1.281 63.572 62.300 -0.015 0.000 1.036 465 V CB -0.293 31.511 31.823 -0.032 0.000 0.654 465 V HN 0.325 nan 8.190 nan 0.000 0.451 466 I N -0.963 119.580 120.570 -0.046 0.000 2.179 466 I HA -0.249 3.920 4.170 -0.002 0.000 0.242 466 I C 2.422 178.595 176.117 0.093 0.000 1.088 466 I CA 1.965 63.247 61.300 -0.031 0.000 1.357 466 I CB -1.205 36.717 38.000 -0.130 0.000 1.051 466 I HN 0.354 nan 8.210 nan 0.000 0.409 467 Y N 0.980 121.333 120.300 0.088 0.000 2.070 467 Y HA -0.317 4.231 4.550 -0.002 0.000 0.280 467 Y C 3.048 179.067 175.900 0.198 0.000 1.148 467 Y CA 1.403 59.589 58.100 0.144 0.000 1.125 467 Y CB -0.481 38.064 38.460 0.142 0.000 0.975 467 Y HN 0.065 nan 8.280 nan 0.000 0.492 468 R N 0.448 121.143 120.500 0.325 0.000 2.103 468 R HA -0.229 4.110 4.340 -0.002 0.000 0.242 468 R C 2.254 178.715 176.300 0.269 0.000 1.142 468 R CA 1.900 58.148 56.100 0.247 0.000 0.960 468 R CB -0.137 30.262 30.300 0.164 0.000 0.858 468 R HN 0.407 nan 8.270 nan 0.000 0.439 469 Q N -0.652 119.236 119.800 0.147 0.000 2.061 469 Q HA -0.224 4.115 4.340 -0.002 0.000 0.204 469 Q C 2.021 178.170 176.000 0.249 0.000 0.984 469 Q CA 1.667 57.553 55.803 0.139 0.000 0.846 469 Q CB -0.421 28.302 28.738 -0.025 0.000 0.902 469 Q HN 0.377 nan 8.270 nan 0.000 0.421 470 F N 1.378 121.405 119.950 0.129 0.000 2.128 470 F HA -0.172 4.354 4.527 -0.002 0.000 0.295 470 F C 2.694 178.525 175.800 0.051 0.000 1.100 470 F CA 1.331 59.393 58.000 0.103 0.000 1.260 470 F CB -0.337 38.754 39.000 0.151 0.000 1.009 470 F HN 0.007 nan 8.300 nan 0.000 0.476 471 S N 0.983 116.844 115.700 0.268 0.000 2.482 471 S HA -0.290 4.179 4.470 -0.002 0.000 0.226 471 S C 2.230 176.808 174.600 -0.036 0.000 1.048 471 S CA 2.428 60.723 58.200 0.158 0.000 1.158 471 S CB -1.009 62.342 63.200 0.253 0.000 1.130 471 S HN 0.454 nan 8.310 nan 0.000 0.413 472 I N 0.807 121.399 120.570 0.037 0.000 2.236 472 I HA -0.132 4.037 4.170 -0.002 0.000 0.249 472 I C 2.330 178.321 176.117 -0.210 0.000 1.102 472 I CA 2.638 63.893 61.300 -0.074 0.000 1.365 472 I CB -1.637 36.336 38.000 -0.046 0.000 1.051 472 I HN 0.408 nan 8.210 nan 0.000 0.420 473 T N 1.083 115.525 114.554 -0.187 0.000 2.699 473 T HA -0.180 4.169 4.350 -0.002 0.000 0.268 473 T C 1.828 176.291 174.700 -0.395 0.000 1.036 473 T CA 2.517 64.443 62.100 -0.289 0.000 1.147 473 T CB -0.516 68.195 68.868 -0.263 0.000 0.862 473 T HN 0.659 nan 8.240 nan 0.000 0.446 474 I N -0.427 119.829 120.570 -0.524 0.000 2.494 474 I HA 0.115 4.284 4.170 -0.002 0.000 0.250 474 I C 2.479 178.364 176.117 -0.386 0.000 1.112 474 I CA 0.969 61.937 61.300 -0.553 0.000 1.438 474 I CB -1.028 36.449 38.000 -0.872 0.000 1.111 474 I HN 0.138 nan 8.210 nan 0.000 0.431 475 V N 2.586 122.317 119.914 -0.304 0.000 2.392 475 V HA -0.257 3.862 4.120 -0.002 0.000 0.249 475 V C 2.767 178.774 176.094 -0.145 0.000 1.059 475 V CA 2.741 64.968 62.300 -0.121 0.000 1.051 475 V CB -0.771 31.055 31.823 0.006 0.000 0.658 475 V HN 0.783 nan 8.190 nan 0.000 0.455 476 S N 1.460 117.032 115.700 -0.214 0.000 2.345 476 S HA -0.051 4.418 4.470 -0.002 0.000 0.220 476 S C 2.246 176.725 174.600 -0.201 0.000 1.031 476 S CA 1.389 59.450 58.200 -0.232 0.000 0.996 476 S CB -1.242 61.758 63.200 -0.334 0.000 0.882 476 S HN 1.166 nan 8.310 nan 0.000 0.445 477 A N 0.802 123.485 122.820 -0.228 0.000 2.139 477 A HA 0.002 4.321 4.320 -0.002 0.000 0.221 477 A C 2.122 179.613 177.584 -0.155 0.000 1.159 477 A CA 1.820 53.739 52.037 -0.196 0.000 0.662 477 A CB -0.715 18.149 19.000 -0.226 0.000 0.796 477 A HN 0.531 nan 8.150 nan 0.000 0.463 478 M N -0.953 118.560 119.600 -0.144 0.000 2.276 478 M HA 0.254 4.733 4.480 -0.002 0.000 0.262 478 M C 2.310 178.559 176.300 -0.084 0.000 1.098 478 M CA 1.310 56.550 55.300 -0.100 0.000 1.167 478 M CB -0.656 31.906 32.600 -0.064 0.000 1.337 478 M HN 0.339 nan 8.290 nan 0.000 0.446 479 A N 0.239 123.010 122.820 -0.083 0.000 1.873 479 A HA -0.204 4.115 4.320 -0.002 0.000 0.218 479 A C 2.211 179.742 177.584 -0.088 0.000 1.193 479 A CA 1.927 53.918 52.037 -0.076 0.000 0.629 479 A CB -1.368 17.588 19.000 -0.074 0.000 0.826 479 A HN 0.525 nan 8.150 nan 0.000 0.447 480 L N -0.418 120.742 121.223 -0.104 0.000 2.051 480 L HA -0.244 4.095 4.340 -0.002 0.000 0.214 480 L C 2.968 179.776 176.870 -0.103 0.000 1.076 480 L CA 1.834 56.611 54.840 -0.105 0.000 0.758 480 L CB -0.476 41.516 42.059 -0.112 0.000 0.890 480 L HN 0.587 nan 8.230 nan 0.000 0.433 481 S N -0.711 114.930 115.700 -0.098 0.000 2.383 481 S HA -0.153 4.316 4.470 -0.002 0.000 0.229 481 S C 1.855 176.400 174.600 -0.092 0.000 1.030 481 S CA 1.474 59.618 58.200 -0.093 0.000 1.002 481 S CB -0.110 63.038 63.200 -0.086 0.000 0.829 481 S HN 0.232 nan 8.310 nan 0.000 0.467 482 V N 2.833 122.696 119.914 -0.086 0.000 2.229 482 V HA -0.114 4.005 4.120 -0.002 0.000 0.243 482 V C 2.355 178.390 176.094 -0.098 0.000 1.042 482 V CA 1.894 64.145 62.300 -0.082 0.000 1.000 482 V CB -0.915 30.867 31.823 -0.069 0.000 0.637 482 V HN 0.726 nan 8.190 nan 0.000 0.446 483 I N 0.206 120.715 120.570 -0.102 0.000 2.300 483 I HA -0.237 3.932 4.170 -0.002 0.000 0.252 483 I C 2.179 178.192 176.117 -0.172 0.000 1.119 483 I CA 1.725 62.951 61.300 -0.124 0.000 1.384 483 I CB -0.096 37.836 38.000 -0.114 0.000 1.062 483 I HN 0.153 nan 8.210 nan 0.000 0.426 484 V N 1.781 121.598 119.914 -0.162 0.000 2.323 484 V HA -0.194 3.925 4.120 -0.002 0.000 0.244 484 V C 2.926 178.903 176.094 -0.194 0.000 1.041 484 V CA 1.811 63.994 62.300 -0.194 0.000 1.025 484 V CB -1.116 30.611 31.823 -0.160 0.000 0.656 484 V HN 0.612 nan 8.190 nan 0.000 0.451 485 A N -0.593 122.140 122.820 -0.146 0.000 2.070 485 A HA -0.075 4.244 4.320 -0.002 0.000 0.220 485 A C 2.154 179.664 177.584 -0.122 0.000 1.159 485 A CA 1.466 53.428 52.037 -0.124 0.000 0.656 485 A CB -0.376 18.568 19.000 -0.094 0.000 0.800 485 A HN 0.535 nan 8.150 nan 0.000 0.453 486 L N -1.758 119.385 121.223 -0.133 0.000 2.221 486 L HA 0.038 4.377 4.340 -0.002 0.000 0.202 486 L C 2.203 178.972 176.870 -0.169 0.000 1.074 486 L CA 0.469 55.243 54.840 -0.109 0.000 0.795 486 L CB -0.308 41.704 42.059 -0.077 0.000 0.960 486 L HN 0.262 nan 8.230 nan 0.000 0.458 487 I N -0.552 119.819 120.570 -0.332 0.000 2.270 487 I HA -0.176 3.993 4.170 -0.002 0.000 0.239 487 I C 2.166 177.967 176.117 -0.527 0.000 1.080 487 I CA 1.278 62.175 61.300 -0.671 0.000 1.383 487 I CB -0.124 37.290 38.000 -0.977 0.000 1.097 487 I HN 0.044 nan 8.210 nan 0.000 0.420 488 L N -0.578 120.381 121.223 -0.440 0.000 2.168 488 L HA -0.097 4.242 4.340 -0.002 0.000 0.203 488 L C 2.415 179.090 176.870 -0.325 0.000 1.078 488 L CA 1.094 55.665 54.840 -0.449 0.000 0.780 488 L CB -0.332 41.422 42.059 -0.509 0.000 0.939 488 L HN 0.272 nan 8.230 nan 0.000 0.451 489 T N 0.820 115.231 114.554 -0.239 0.000 2.622 489 T HA -0.120 4.229 4.350 -0.002 0.000 0.266 489 T C -0.710 173.918 174.700 -0.120 0.000 1.047 489 T CA 1.630 63.631 62.100 -0.164 0.000 1.159 489 T CB -1.304 67.489 68.868 -0.126 0.000 0.863 489 T HN 0.267 nan 8.240 nan 0.000 0.422 490 P HA -0.011 nan 4.420 nan 0.000 0.215 490 P C 1.603 178.876 177.300 -0.046 0.000 1.157 490 P CA 1.405 64.471 63.100 -0.056 0.000 0.868 490 P CB -0.306 31.375 31.700 -0.033 0.000 0.788 491 A N -0.563 122.221 122.820 -0.060 0.000 1.917 491 A HA -0.217 4.102 4.320 -0.002 0.000 0.219 491 A C 2.287 179.852 177.584 -0.032 0.000 1.182 491 A CA 1.673 53.687 52.037 -0.038 0.000 0.633 491 A CB -1.757 17.208 19.000 -0.059 0.000 0.819 491 A HN 0.112 nan 8.150 nan 0.000 0.448 492 L N -0.892 120.285 121.223 -0.077 0.000 1.976 492 L HA -0.275 4.064 4.340 -0.002 0.000 0.209 492 L C 2.841 179.714 176.870 0.006 0.000 1.071 492 L CA 1.660 56.485 54.840 -0.024 0.000 0.746 492 L CB -0.785 41.234 42.059 -0.066 0.000 0.890 492 L HN 0.537 nan 8.230 nan 0.000 0.432 493 C N -0.221 119.069 119.300 -0.017 0.000 2.363 493 C HA -0.324 4.135 4.460 -0.002 0.000 0.274 493 C C 3.109 178.100 174.990 0.003 0.000 1.183 493 C CA 0.937 59.949 59.018 -0.010 0.000 1.771 493 C CB -1.340 26.387 27.740 -0.022 0.000 2.059 493 C HN 0.683 nan 8.230 nan 0.000 0.455 494 A N 0.382 123.204 122.820 0.004 0.000 1.892 494 A HA -0.233 4.086 4.320 -0.002 0.000 0.218 494 A C 2.194 179.792 177.584 0.023 0.000 1.188 494 A CA 2.913 54.957 52.037 0.011 0.000 0.631 494 A CB -1.125 17.882 19.000 0.012 0.000 0.822 494 A HN 0.735 nan 8.150 nan 0.000 0.447 495 T N -5.069 109.509 114.554 0.040 0.000 3.086 495 T HA 0.437 4.786 4.350 -0.002 0.000 0.250 495 T C 1.169 175.906 174.700 0.062 0.000 1.074 495 T CA 0.934 63.068 62.100 0.057 0.000 0.988 495 T CB 0.177 69.099 68.868 0.091 0.000 0.988 495 T HN 0.337 nan 8.240 nan 0.000 0.530 496 M N -0.562 119.069 119.600 0.051 0.000 2.195 496 M HA 0.375 4.854 4.480 -0.002 0.000 0.243 496 M C -0.624 175.698 176.300 0.036 0.000 1.313 496 M CA -0.277 55.057 55.300 0.057 0.000 1.077 496 M CB 0.727 33.377 32.600 0.083 0.000 1.664 496 M HN 0.106 nan 8.290 nan 0.000 0.584 497 L N 1.424 122.659 121.223 0.019 0.000 2.483 497 L HA -0.021 4.318 4.340 -0.002 0.000 0.277 497 L C 0.840 177.712 176.870 0.003 0.000 1.248 497 L CA 1.514 56.356 54.840 0.004 0.000 0.825 497 L CB 0.344 42.399 42.059 -0.007 0.000 1.096 497 L HN 0.284 nan 8.230 nan 0.000 0.512 498 K N -0.825 119.571 120.400 -0.006 0.000 2.648 498 K HA 0.201 4.520 4.320 -0.002 0.000 0.194 498 K C -1.528 175.064 176.600 -0.013 0.000 1.721 498 K CA -0.328 55.955 56.287 -0.007 0.000 1.183 498 K CB -0.181 32.316 32.500 -0.005 0.000 1.618 498 K HN 0.544 nan 8.250 nan 0.000 0.595 513 F N 1.931 121.786 119.950 -0.159 0.000 2.202 513 F HA 0.045 4.571 4.527 -0.002 0.000 0.301 513 F C 2.552 178.284 175.800 -0.113 0.000 1.082 513 F CA 1.802 59.635 58.000 -0.279 0.000 1.313 513 F CB -1.019 37.920 39.000 -0.101 0.000 1.024 513 F HN 0.232 nan 8.300 nan 0.000 0.495 514 G N 0.278 109.188 108.800 0.183 0.000 2.459 514 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.217 514 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.217 514 G C 1.545 176.536 174.900 0.153 0.000 1.183 514 G CA 0.722 45.918 45.100 0.159 0.000 0.776 514 G HN 0.608 nan 8.290 nan 0.000 0.552 515 W N 0.627 121.941 121.300 0.023 0.000 2.317 515 W HA -0.177 4.482 4.660 -0.002 0.000 0.318 515 W C 2.139 178.652 176.519 -0.009 0.000 1.227 515 W CA 1.392 58.749 57.345 0.021 0.000 1.269 515 W CB -0.720 28.782 29.460 0.069 0.000 1.155 515 W HN 0.201 nan 8.180 nan 0.000 0.484 516 F N 2.731 122.303 119.950 -0.630 0.000 2.026 516 F HA -0.325 4.201 4.527 -0.002 0.000 0.296 516 F C 2.443 177.962 175.800 -0.469 0.000 1.133 516 F CA 2.785 60.323 58.000 -0.770 0.000 1.188 516 F CB -1.050 37.521 39.000 -0.715 0.000 0.968 516 F HN -0.158 nan 8.300 nan 0.000 0.476 517 N N 0.423 119.141 118.700 0.030 0.000 2.060 517 N HA -0.251 4.488 4.740 -0.002 0.000 0.195 517 N C 2.052 177.516 175.510 -0.078 0.000 1.028 517 N CA 1.670 54.738 53.050 0.030 0.000 0.861 517 N CB -0.615 37.900 38.487 0.047 0.000 1.029 517 N HN 0.358 nan 8.380 nan 0.000 0.428 518 R N 0.465 120.895 120.500 -0.117 0.000 2.082 518 R HA -0.080 4.259 4.340 -0.002 0.000 0.234 518 R C 2.350 178.486 176.300 -0.273 0.000 1.136 518 R CA 1.281 57.313 56.100 -0.113 0.000 0.935 518 R CB -0.328 29.955 30.300 -0.029 0.000 0.842 518 R HN 0.159 nan 8.270 nan 0.000 0.430 519 M N -0.012 119.201 119.600 -0.645 0.000 2.113 519 M HA -0.265 4.214 4.480 -0.002 0.000 0.255 519 M C 1.938 177.880 176.300 -0.596 0.000 1.073 519 M CA 1.881 56.628 55.300 -0.920 0.000 1.091 519 M CB -0.669 30.845 32.600 -1.809 0.000 1.309 519 M HN 0.214 nan 8.290 nan 0.000 0.407 520 F N 0.311 119.821 119.950 -0.733 0.000 2.084 520 F HA -0.211 4.315 4.527 -0.002 0.000 0.296 520 F C 2.182 177.814 175.800 -0.279 0.000 1.111 520 F CA 1.249 58.935 58.000 -0.523 0.000 1.224 520 F CB -0.368 38.333 39.000 -0.498 0.000 0.991 520 F HN 0.114 nan 8.300 nan 0.000 0.471 521 L N 0.284 121.550 121.223 0.071 0.000 2.275 521 L HA -0.137 4.202 4.340 -0.002 0.000 0.215 521 L C 2.539 179.380 176.870 -0.048 0.000 1.119 521 L CA 2.015 56.869 54.840 0.023 0.000 0.790 521 L CB -1.333 40.757 42.059 0.051 0.000 0.919 521 L HN 0.438 nan 8.230 nan 0.000 0.443 522 S N -1.240 114.434 115.700 -0.045 0.000 2.345 522 S HA -0.198 4.271 4.470 -0.002 0.000 0.220 522 S C 2.037 176.632 174.600 -0.008 0.000 1.031 522 S CA 1.720 59.936 58.200 0.026 0.000 0.996 522 S CB -0.897 62.271 63.200 -0.053 0.000 0.882 522 S HN 0.633 nan 8.310 nan 0.000 0.445 523 T N 1.509 115.959 114.554 -0.174 0.000 2.508 523 T HA -0.163 4.186 4.350 -0.002 0.000 0.249 523 T C 2.078 176.697 174.700 -0.134 0.000 1.173 523 T CA 3.624 65.617 62.100 -0.178 0.000 1.275 523 T CB -2.076 66.602 68.868 -0.316 0.000 0.883 523 T HN 0.850 nan 8.240 nan 0.000 0.394 524 T N 1.243 115.640 114.554 -0.261 0.000 3.975 524 T HA -0.492 3.857 4.350 -0.002 0.000 0.187 524 T C 1.567 176.243 174.700 -0.041 0.000 1.633 524 T CA 2.644 64.644 62.100 -0.166 0.000 1.110 524 T CB -2.324 66.402 68.868 -0.236 0.000 1.122 524 T HN 0.731 nan 8.240 nan 0.000 0.549 525 H N 2.113 121.195 119.070 0.020 0.000 2.292 525 H HA -0.121 4.434 4.556 -0.002 0.000 0.292 525 H C 2.778 178.113 175.328 0.012 0.000 1.100 525 H CA 2.023 58.078 56.048 0.013 0.000 1.238 525 H CB -1.379 28.383 29.762 0.000 0.000 1.355 525 H HN 0.701 nan 8.280 nan 0.000 0.484 526 G N 0.333 109.221 108.800 0.148 0.000 2.631 526 G HA2 -0.394 3.565 3.960 -0.002 0.000 0.219 526 G HA3 -0.394 3.565 3.960 -0.002 0.000 0.219 526 G C 1.693 176.671 174.900 0.130 0.000 1.214 526 G CA 1.383 46.548 45.100 0.108 0.000 0.785 526 G HN 0.582 nan 8.290 nan 0.000 0.596 527 Y N 1.538 121.841 120.300 0.005 0.000 2.062 527 Y HA -0.323 4.226 4.550 -0.002 0.000 0.273 527 Y C 2.882 178.757 175.900 -0.042 0.000 1.206 527 Y CA 2.651 60.729 58.100 -0.036 0.000 1.125 527 Y CB -0.258 38.090 38.460 -0.187 0.000 0.951 527 Y HN 0.383 nan 8.280 nan 0.000 0.501 528 E N 0.032 120.110 120.200 -0.204 0.000 2.026 528 E HA -0.290 4.059 4.350 -0.002 0.000 0.206 528 E C 2.225 178.721 176.600 -0.173 0.000 1.028 528 E CA 2.330 58.580 56.400 -0.250 0.000 0.845 528 E CB -0.275 29.384 29.700 -0.069 0.000 0.772 528 E HN 0.427 nan 8.360 nan 0.000 0.462 529 R N -0.232 120.231 120.500 -0.062 0.000 2.159 529 R HA -0.234 4.105 4.340 -0.002 0.000 0.252 529 R C 2.375 178.634 176.300 -0.069 0.000 1.144 529 R CA 1.382 57.452 56.100 -0.049 0.000 0.961 529 R CB -1.090 29.205 30.300 -0.008 0.000 0.877 529 R HN 0.327 nan 8.270 nan 0.000 0.444 530 G N 1.004 109.798 108.800 -0.010 0.000 2.701 530 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.215 530 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.215 530 G C 1.520 176.388 174.900 -0.053 0.000 1.297 530 G CA 1.474 46.614 45.100 0.066 0.000 0.807 530 G HN 0.175 nan 8.290 nan 0.000 0.608 531 V N 2.094 121.893 119.914 -0.192 0.000 2.277 531 V HA -0.222 3.897 4.120 -0.002 0.000 0.255 531 V C 2.914 178.853 176.094 -0.259 0.000 1.074 531 V CA 2.072 64.172 62.300 -0.334 0.000 1.058 531 V CB -1.554 29.867 31.823 -0.670 0.000 0.656 531 V HN 0.687 nan 8.190 nan 0.000 0.449 532 A N 0.017 122.705 122.820 -0.221 0.000 3.221 532 A HA 0.030 4.349 4.320 -0.002 0.000 0.175 532 A C 2.203 179.671 177.584 -0.194 0.000 0.976 532 A CA 2.421 54.356 52.037 -0.170 0.000 1.205 532 A CB -1.088 17.835 19.000 -0.128 0.000 1.172 532 A HN 1.359 nan 8.150 nan 0.000 0.597 533 S N -0.235 115.353 115.700 -0.186 0.000 2.746 533 S HA -0.432 4.037 4.470 -0.002 0.000 0.509 533 S C 1.709 176.150 174.600 -0.266 0.000 1.019 533 S CA 3.127 61.154 58.200 -0.289 0.000 3.072 533 S CB -2.144 60.864 63.200 -0.320 0.000 2.186 533 S HN 1.880 nan 8.310 nan 0.000 0.508 534 I N 1.605 121.980 120.570 -0.325 0.000 2.248 534 I HA -0.186 3.982 4.170 -0.002 0.000 0.248 534 I C 2.516 178.421 176.117 -0.352 0.000 1.107 534 I CA 2.353 63.324 61.300 -0.548 0.000 1.373 534 I CB -0.333 36.920 38.000 -1.244 0.000 1.055 534 I HN 0.514 nan 8.210 nan 0.000 0.418 535 L N 1.707 122.766 121.223 -0.272 0.000 1.990 535 L HA -0.270 4.069 4.340 -0.002 0.000 0.213 535 L C 2.662 179.479 176.870 -0.088 0.000 1.072 535 L CA 2.728 57.461 54.840 -0.179 0.000 0.755 535 L CB -0.547 41.424 42.059 -0.147 0.000 0.889 535 L HN 0.394 nan 8.230 nan 0.000 0.432 536 K N -3.519 116.862 120.400 -0.032 0.000 2.242 536 K HA -0.008 4.311 4.320 -0.002 0.000 0.200 536 K C 1.945 178.650 176.600 0.174 0.000 1.050 536 K CA 0.785 57.107 56.287 0.059 0.000 0.981 536 K CB -0.361 32.186 32.500 0.078 0.000 0.795 536 K HN 0.215 nan 8.250 nan 0.000 0.477 537 H N 1.463 120.530 119.070 -0.005 0.000 2.436 537 H HA 0.079 4.633 4.556 -0.002 0.000 0.294 537 H C 0.815 176.199 175.328 0.094 0.000 1.048 537 H CA 0.525 56.606 56.048 0.056 0.000 1.353 537 H CB -0.177 29.660 29.762 0.126 0.000 1.414 537 H HN 0.156 nan 8.280 nan 0.000 0.536 538 R N 1.183 121.811 120.500 0.214 0.000 2.903 538 R HA -0.008 4.330 4.340 -0.002 0.000 0.277 538 R C 0.863 177.241 176.300 0.131 0.000 0.973 538 R CA 1.307 57.551 56.100 0.240 0.000 1.149 538 R CB -0.226 30.062 30.300 -0.020 0.000 1.068 538 R HN 0.385 nan 8.270 nan 0.000 0.470 539 A N -0.823 122.064 122.820 0.113 0.000 2.548 539 A HA -0.148 4.171 4.320 -0.002 0.000 0.206 539 A C -1.271 176.338 177.584 0.042 0.000 0.644 539 A CA 0.426 52.501 52.037 0.063 0.000 1.642 539 A CB -2.200 16.819 19.000 0.031 0.000 1.176 539 A HN 0.621 nan 8.150 nan 0.000 0.667 540 P HA -0.100 nan 4.420 nan 0.000 0.215 540 P C 1.315 178.538 177.300 -0.127 0.000 1.153 540 P CA 1.812 64.835 63.100 -0.127 0.000 0.853 540 P CB -0.252 31.276 31.700 -0.288 0.000 0.788 541 Y N -1.335 118.943 120.300 -0.038 0.000 2.153 541 Y HA -0.069 4.480 4.550 -0.002 0.000 0.289 541 Y C 1.969 177.918 175.900 0.083 0.000 1.127 541 Y CA 0.456 58.478 58.100 -0.130 0.000 1.131 541 Y CB -1.296 36.862 38.460 -0.503 0.000 0.995 541 Y HN -0.218 nan 8.280 nan 0.000 0.505 542 L N 0.506 121.846 121.223 0.194 0.000 2.721 542 L HA -0.131 4.208 4.340 -0.002 0.000 0.241 542 L C 1.221 178.266 176.870 0.291 0.000 1.168 542 L CA 1.208 56.181 54.840 0.223 0.000 0.866 542 L CB -0.915 41.212 42.059 0.114 0.000 0.996 542 L HN 0.408 nan 8.230 nan 0.000 0.451 543 L N -4.466 116.930 121.223 0.289 0.000 2.806 543 L HA 0.298 4.637 4.340 -0.002 0.000 0.242 543 L C 1.845 178.871 176.870 0.261 0.000 1.068 543 L CA 0.528 55.512 54.840 0.240 0.000 0.923 543 L CB -0.768 41.369 42.059 0.130 0.000 1.364 543 L HN -0.003 nan 8.230 nan 0.000 0.511 544 I N -0.523 120.228 120.570 0.303 0.000 2.567 544 I HA -0.253 3.916 4.170 -0.002 0.000 0.257 544 I C 2.513 178.811 176.117 0.301 0.000 1.184 544 I CA 1.466 62.940 61.300 0.290 0.000 1.451 544 I CB -0.079 38.117 38.000 0.327 0.000 1.089 544 I HN 0.471 nan 8.210 nan 0.000 0.441 545 Y N 1.602 122.121 120.300 0.364 0.000 2.145 545 Y HA -0.230 4.318 4.550 -0.002 0.000 0.286 545 Y C 2.286 178.249 175.900 0.106 0.000 1.145 545 Y CA 2.428 60.616 58.100 0.148 0.000 1.148 545 Y CB -0.583 38.164 38.460 0.477 0.000 0.981 545 Y HN 0.040 nan 8.280 nan 0.000 0.507 546 V N -0.819 119.234 119.914 0.232 0.000 2.469 546 V HA -0.306 3.813 4.120 -0.002 0.000 0.251 546 V C 2.354 178.436 176.094 -0.020 0.000 1.064 546 V CA 1.601 63.954 62.300 0.089 0.000 1.066 546 V CB -0.970 30.949 31.823 0.159 0.000 0.667 546 V HN 0.380 nan 8.190 nan 0.000 0.461 547 V N -0.256 119.658 119.914 -0.000 0.000 2.427 547 V HA -0.221 3.898 4.120 -0.002 0.000 0.248 547 V C 2.152 178.196 176.094 -0.084 0.000 1.051 547 V CA 2.047 64.330 62.300 -0.028 0.000 1.048 547 V CB -0.313 31.509 31.823 -0.001 0.000 0.666 547 V HN 0.459 nan 8.190 nan 0.000 0.456 548 I N -0.541 119.931 120.570 -0.163 0.000 2.252 548 I HA -0.182 3.987 4.170 -0.002 0.000 0.245 548 I C 2.316 178.295 176.117 -0.229 0.000 1.102 548 I CA 1.105 62.273 61.300 -0.220 0.000 1.385 548 I CB -0.335 37.460 38.000 -0.342 0.000 1.064 548 I HN 0.151 nan 8.210 nan 0.000 0.414 549 V N 1.110 120.838 119.914 -0.310 0.000 2.490 549 V HA -0.293 3.825 4.120 -0.002 0.000 0.250 549 V C 2.647 178.696 176.094 -0.074 0.000 1.061 549 V CA 1.928 64.098 62.300 -0.216 0.000 1.064 549 V CB -1.064 30.632 31.823 -0.213 0.000 0.670 549 V HN 0.483 nan 8.190 nan 0.000 0.461 550 A N 0.706 123.496 122.820 -0.051 0.000 1.840 550 A HA -0.013 4.306 4.320 -0.002 0.000 0.214 550 A C 2.488 180.109 177.584 0.062 0.000 1.198 550 A CA 1.705 53.749 52.037 0.012 0.000 0.608 550 A CB -1.411 17.585 19.000 -0.007 0.000 0.839 550 A HN 0.490 nan 8.150 nan 0.000 0.443 551 G N -0.462 108.355 108.800 0.029 0.000 2.469 551 G HA2 -0.337 3.622 3.960 -0.002 0.000 0.220 551 G HA3 -0.337 3.622 3.960 -0.002 0.000 0.220 551 G C 1.636 176.589 174.900 0.088 0.000 1.136 551 G CA 1.468 46.621 45.100 0.089 0.000 0.759 551 G HN 0.507 nan 8.290 nan 0.000 0.562 552 M N 0.127 119.719 119.600 -0.013 0.000 2.126 552 M HA -0.045 4.434 4.480 -0.002 0.000 0.259 552 M C 2.593 178.883 176.300 -0.017 0.000 1.073 552 M CA 1.704 56.950 55.300 -0.088 0.000 1.103 552 M CB -0.309 32.229 32.600 -0.102 0.000 1.284 552 M HN 0.230 nan 8.290 nan 0.000 0.420 553 I N -0.428 120.203 120.570 0.102 0.000 2.236 553 I HA -0.385 3.784 4.170 -0.002 0.000 0.249 553 I C 2.389 178.643 176.117 0.228 0.000 1.102 553 I CA 1.854 63.276 61.300 0.204 0.000 1.365 553 I CB -0.810 37.288 38.000 0.164 0.000 1.051 553 I HN 0.710 nan 8.210 nan 0.000 0.420 554 W N 1.597 122.908 121.300 0.018 0.000 2.380 554 W HA -0.221 4.438 4.660 -0.002 0.000 0.317 554 W C 2.469 178.992 176.519 0.007 0.000 1.196 554 W CA 1.098 58.449 57.345 0.010 0.000 1.307 554 W CB -0.201 29.250 29.460 -0.016 0.000 1.157 554 W HN 0.023 nan 8.180 nan 0.000 0.483 555 M N 0.165 119.650 119.600 -0.192 0.000 2.346 555 M HA -0.223 4.256 4.480 -0.002 0.000 0.263 555 M C 1.885 177.995 176.300 -0.316 0.000 1.064 555 M CA 1.422 56.510 55.300 -0.354 0.000 1.083 555 M CB -1.177 31.291 32.600 -0.219 0.000 1.399 555 M HN 0.003 nan 8.290 nan 0.000 0.435 556 F N 0.876 120.705 119.950 -0.201 0.000 2.186 556 F HA -0.164 4.362 4.527 -0.002 0.000 0.299 556 F C 2.795 178.462 175.800 -0.221 0.000 1.090 556 F CA 1.917 59.821 58.000 -0.161 0.000 1.307 556 F CB -1.143 37.812 39.000 -0.076 0.000 1.019 556 F HN 0.271 nan 8.300 nan 0.000 0.489 557 T N -2.510 111.979 114.554 -0.108 0.000 3.035 557 T HA -0.066 4.283 4.350 -0.002 0.000 0.268 557 T C 1.561 176.070 174.700 -0.318 0.000 1.109 557 T CA 0.506 62.478 62.100 -0.213 0.000 1.119 557 T CB -0.319 68.392 68.868 -0.262 0.000 0.900 557 T HN 0.128 nan 8.240 nan 0.000 0.503 558 R N 0.515 120.755 120.500 -0.433 0.000 3.351 558 R HA 0.612 4.951 4.340 -0.002 0.000 0.296 558 R C -0.829 175.337 176.300 -0.223 0.000 1.427 558 R CA -0.137 55.740 56.100 -0.372 0.000 1.257 558 R CB -0.206 29.794 30.300 -0.500 0.000 1.378 558 R HN 0.433 nan 8.270 nan 0.000 0.610 559 I N 0.489 120.957 120.570 -0.169 0.000 2.710 559 I HA 0.260 4.429 4.170 -0.002 0.000 0.290 559 I C -2.638 173.415 176.117 -0.106 0.000 1.318 559 I CA -2.346 58.870 61.300 -0.140 0.000 1.045 559 I CB 3.007 40.901 38.000 -0.178 0.000 1.307 559 I HN -0.014 nan 8.210 nan 0.000 0.424 560 P HA 0.262 nan 4.420 nan 0.000 0.276 560 P C -1.066 176.203 177.300 -0.052 0.000 1.235 560 P CA -0.180 62.882 63.100 -0.062 0.000 0.772 560 P CB 0.586 32.257 31.700 -0.048 0.000 0.871 561 T N 2.169 116.703 114.554 -0.033 0.000 2.794 561 T HA 0.590 4.939 4.350 -0.002 0.000 0.296 561 T C 0.127 174.835 174.700 0.015 0.000 0.949 561 T CA -0.155 61.938 62.100 -0.011 0.000 1.101 561 T CB 0.616 69.475 68.868 -0.015 0.000 0.905 561 T HN 0.507 nan 8.240 nan 0.000 0.516 562 A N 2.726 125.573 122.820 0.044 0.000 2.564 562 A HA 0.848 5.167 4.320 -0.002 0.000 0.288 562 A C -1.671 175.999 177.584 0.144 0.000 1.164 562 A CA -0.937 51.148 52.037 0.080 0.000 0.712 562 A CB 1.550 20.585 19.000 0.059 0.000 1.303 562 A HN 0.798 nan 8.150 nan 0.000 0.418 563 F N 1.977 121.915 119.950 -0.021 0.000 2.610 563 F HA 0.614 5.140 4.527 -0.002 0.000 0.355 563 F C -0.822 174.946 175.800 -0.053 0.000 1.140 563 F CA -0.748 57.214 58.000 -0.063 0.000 1.037 563 F CB 0.707 39.648 39.000 -0.099 0.000 1.287 563 F HN 0.491 nan 8.300 nan 0.000 0.457 564 L N 4.921 125.839 121.223 -0.509 0.000 2.445 564 L HA -0.122 4.217 4.340 -0.002 0.000 0.598 564 L C -2.379 174.459 176.870 -0.054 0.000 1.000 564 L CA -0.165 54.452 54.840 -0.372 0.000 1.297 564 L CB -1.335 40.276 42.059 -0.748 0.000 1.925 564 L HN 0.514 nan 8.230 nan 0.000 0.950 565 P HA 0.179 nan 4.420 nan 0.000 0.271 565 P C -0.161 177.198 177.300 0.099 0.000 1.233 565 P CA -0.265 62.892 63.100 0.095 0.000 0.789 565 P CB 0.606 32.380 31.700 0.122 0.000 0.951 566 D N 1.257 121.700 120.400 0.072 0.000 2.345 566 D HA 0.194 4.833 4.640 -0.002 0.000 0.247 566 D C 0.230 176.689 176.300 0.265 0.000 1.108 566 D CA 0.387 54.490 54.000 0.171 0.000 0.894 566 D CB 0.551 41.419 40.800 0.113 0.000 1.203 566 D HN 0.243 nan 8.370 nan 0.000 0.430 567 E N 0.840 121.304 120.200 0.440 0.000 2.277 567 E HA 0.073 4.421 4.350 -0.002 0.000 0.266 567 E C 0.679 177.615 176.600 0.559 0.000 0.901 567 E CA -0.575 56.106 56.400 0.470 0.000 0.782 567 E CB 2.324 32.239 29.700 0.358 0.000 1.228 567 E HN 0.371 nan 8.360 nan 0.000 0.424 568 D N 1.334 122.072 120.400 0.564 0.000 2.106 568 D HA -0.205 4.434 4.640 -0.002 0.000 0.194 568 D C 0.113 176.451 176.300 0.063 0.000 0.988 568 D CA 1.879 56.001 54.000 0.204 0.000 0.845 568 D CB 0.363 41.292 40.800 0.215 0.000 0.990 568 D HN 0.529 nan 8.370 nan 0.000 0.448 569 Q N -2.293 117.775 119.800 0.447 0.000 2.342 569 Q HA -0.216 4.123 4.340 -0.002 0.000 0.196 569 Q C 0.949 176.976 176.000 0.044 0.000 0.629 569 Q CA 0.832 56.852 55.803 0.362 0.000 1.365 569 Q CB -1.823 27.046 28.738 0.219 0.000 1.406 569 Q HN 0.602 nan 8.270 nan 0.000 0.840 570 G N -0.559 107.990 108.800 -0.417 0.000 2.166 570 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.260 570 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.260 570 G C 0.104 174.873 174.900 -0.218 0.000 0.986 570 G CA 0.956 45.774 45.100 -0.470 0.000 0.683 570 G HN 1.135 nan 8.290 nan 0.000 0.527 571 V N -2.755 117.061 119.914 -0.164 0.000 2.876 571 V HA 0.944 5.063 4.120 -0.002 0.000 0.312 571 V C -0.687 175.278 176.094 -0.216 0.000 1.085 571 V CA -1.370 60.874 62.300 -0.093 0.000 0.945 571 V CB 2.244 34.111 31.823 0.074 0.000 1.017 571 V HN 1.015 nan 8.190 nan 0.000 0.428 572 L N 3.893 124.994 121.223 -0.204 0.000 2.431 572 L HA 0.836 5.175 4.340 -0.002 0.000 0.266 572 L C -1.375 175.384 176.870 -0.184 0.000 0.978 572 L CA -0.356 54.364 54.840 -0.200 0.000 0.822 572 L CB 1.943 43.960 42.059 -0.070 0.000 1.310 572 L HN 0.727 nan 8.230 nan 0.000 0.409 573 F N 2.724 122.770 119.950 0.159 0.000 2.440 573 F HA 0.840 5.366 4.527 -0.002 0.000 0.328 573 F C 0.392 176.198 175.800 0.010 0.000 1.070 573 F CA -0.559 57.517 58.000 0.128 0.000 1.011 573 F CB 1.904 41.151 39.000 0.412 0.000 1.226 573 F HN 0.583 nan 8.300 nan 0.000 0.491 574 A N 2.004 124.868 122.820 0.075 0.000 2.411 574 A HA 0.581 4.900 4.320 -0.002 0.000 0.285 574 A C -1.028 176.374 177.584 -0.304 0.000 1.129 574 A CA -0.610 51.325 52.037 -0.169 0.000 0.736 574 A CB 0.907 19.826 19.000 -0.135 0.000 1.186 574 A HN 0.665 nan 8.150 nan 0.000 0.445 575 Q N 1.349 120.896 119.800 -0.422 0.000 2.274 575 Q HA 0.590 4.929 4.340 -0.002 0.000 0.256 575 Q C -1.120 174.697 176.000 -0.304 0.000 0.927 575 Q CA 0.041 55.622 55.803 -0.370 0.000 0.939 575 Q CB 1.307 29.817 28.738 -0.380 0.000 1.201 575 Q HN 0.531 nan 8.270 nan 0.000 0.426 576 V N 4.641 124.393 119.914 -0.270 0.000 2.483 576 V HA 0.407 4.526 4.120 -0.002 0.000 0.297 576 V C -0.881 175.101 176.094 -0.186 0.000 1.027 576 V CA -0.672 61.484 62.300 -0.241 0.000 0.855 576 V CB 1.797 33.469 31.823 -0.251 0.000 0.995 576 V HN 0.774 nan 8.190 nan 0.000 0.424 577 Q N 2.501 122.210 119.800 -0.152 0.000 2.444 577 Q HA 0.398 4.737 4.340 -0.002 0.000 0.251 577 Q C -0.575 175.367 176.000 -0.097 0.000 0.939 577 Q CA -0.311 55.422 55.803 -0.116 0.000 0.740 577 Q CB 1.753 30.430 28.738 -0.101 0.000 1.308 577 Q HN 0.842 nan 8.270 nan 0.000 0.461 578 T N 3.885 118.385 114.554 -0.090 0.000 2.898 578 T HA 0.226 4.575 4.350 -0.002 0.000 0.301 578 T C -2.373 172.295 174.700 -0.053 0.000 1.049 578 T CA -0.958 61.098 62.100 -0.074 0.000 1.095 578 T CB 0.404 69.231 68.868 -0.069 0.000 0.976 578 T HN 0.389 nan 8.240 nan 0.000 0.539 579 P HA 0.049 nan 4.420 nan 0.000 0.263 579 P C -2.391 174.896 177.300 -0.021 0.000 1.168 579 P CA -0.816 62.265 63.100 -0.031 0.000 0.759 579 P CB -0.576 31.108 31.700 -0.028 0.000 0.782 580 P HA -0.057 nan 4.420 nan 0.000 0.261 580 P C 1.056 178.364 177.300 0.014 0.000 1.165 580 P CA 1.721 64.821 63.100 -0.000 0.000 0.759 580 P CB -0.002 31.706 31.700 0.014 0.000 0.772 581 G N 1.697 110.509 108.800 0.020 0.000 2.176 581 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.253 581 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.253 581 G C 0.343 175.257 174.900 0.023 0.000 0.979 581 G CA 0.257 45.380 45.100 0.038 0.000 0.641 581 G HN 0.769 nan 8.290 nan 0.000 0.530 582 S N -0.281 115.421 115.700 0.004 0.000 2.600 582 S HA 0.657 5.126 4.470 -0.002 0.000 0.265 582 S C 0.633 175.231 174.600 -0.003 0.000 1.325 582 S CA 0.507 58.704 58.200 -0.005 0.000 1.002 582 S CB 1.856 65.044 63.200 -0.020 0.000 0.921 582 S HN 1.565 nan 8.310 nan 0.000 0.554 583 S N 0.335 116.031 115.700 -0.007 0.000 2.617 583 S HA 0.519 4.987 4.470 -0.002 0.000 0.269 583 S C 1.358 175.952 174.600 -0.010 0.000 1.292 583 S CA -0.333 57.864 58.200 -0.005 0.000 1.010 583 S CB 0.589 63.785 63.200 -0.006 0.000 0.944 583 S HN 1.090 nan 8.310 nan 0.000 0.536 584 A N 2.716 125.534 122.820 -0.004 0.000 1.940 584 A HA -0.080 4.239 4.320 -0.002 0.000 0.219 584 A C 1.926 179.503 177.584 -0.013 0.000 1.176 584 A CA 1.806 53.840 52.037 -0.005 0.000 0.631 584 A CB -0.871 18.135 19.000 0.010 0.000 0.814 584 A HN 0.964 nan 8.150 nan 0.000 0.446 585 E N -0.912 119.280 120.200 -0.013 0.000 2.150 585 E HA -0.163 4.186 4.350 -0.002 0.000 0.193 585 E C 2.287 178.874 176.600 -0.022 0.000 0.985 585 E CA 0.839 57.230 56.400 -0.015 0.000 0.814 585 E CB -0.161 29.532 29.700 -0.013 0.000 0.752 585 E HN 0.548 nan 8.360 nan 0.000 0.466 586 R N 0.867 121.351 120.500 -0.025 0.000 2.075 586 R HA -0.097 4.241 4.340 -0.002 0.000 0.226 586 R C 2.619 178.887 176.300 -0.053 0.000 1.114 586 R CA 1.770 57.850 56.100 -0.033 0.000 0.972 586 R CB -0.306 29.976 30.300 -0.029 0.000 0.869 586 R HN 0.257 nan 8.270 nan 0.000 0.437 587 T N -0.743 113.778 114.554 -0.055 0.000 2.665 587 T HA -0.183 4.166 4.350 -0.002 0.000 0.268 587 T C 1.826 176.475 174.700 -0.085 0.000 1.035 587 T CA 0.957 63.011 62.100 -0.078 0.000 1.151 587 T CB -0.361 68.466 68.868 -0.069 0.000 0.862 587 T HN 0.145 nan 8.240 nan 0.000 0.438 588 Q N 0.579 120.343 119.800 -0.061 0.000 2.515 588 Q HA -0.012 4.327 4.340 -0.002 0.000 0.215 588 Q C 2.186 178.152 176.000 -0.057 0.000 0.983 588 Q CA 0.724 56.493 55.803 -0.056 0.000 0.905 588 Q CB -0.214 28.502 28.738 -0.035 0.000 0.961 588 Q HN 0.630 nan 8.270 nan 0.000 0.503 589 V N -1.581 118.295 119.914 -0.064 0.000 2.922 589 V HA -0.076 4.043 4.120 -0.002 0.000 0.242 589 V C 2.120 178.151 176.094 -0.105 0.000 1.094 589 V CA 0.560 62.827 62.300 -0.056 0.000 1.106 589 V CB 0.079 31.882 31.823 -0.034 0.000 0.799 589 V HN 0.001 nan 8.190 nan 0.000 0.474 590 V N 0.087 119.905 119.914 -0.161 0.000 2.720 590 V HA -0.160 3.959 4.120 -0.002 0.000 0.256 590 V C 2.277 178.200 176.094 -0.284 0.000 1.082 590 V CA 1.570 63.688 62.300 -0.303 0.000 1.101 590 V CB -0.506 31.144 31.823 -0.288 0.000 0.693 590 V HN 0.424 nan 8.190 nan 0.000 0.479 591 V N -0.090 119.720 119.914 -0.173 0.000 2.725 591 V HA -0.066 4.052 4.120 -0.002 0.000 0.247 591 V C 1.797 177.848 176.094 -0.072 0.000 1.058 591 V CA 1.395 63.615 62.300 -0.134 0.000 1.080 591 V CB -0.376 31.375 31.823 -0.120 0.000 0.713 591 V HN 0.493 nan 8.190 nan 0.000 0.465 592 D N 0.000 120.369 120.400 -0.052 0.000 2.378 592 D HA -0.031 4.608 4.640 -0.002 0.000 0.227 592 D C 2.139 178.467 176.300 0.048 0.000 1.012 592 D CA 0.622 54.619 54.000 -0.005 0.000 0.905 592 D CB 0.106 40.905 40.800 -0.002 0.000 0.895 592 D HN 0.352 nan 8.370 nan 0.000 0.532 593 S N 0.123 115.845 115.700 0.037 0.000 2.335 593 S HA -0.110 4.359 4.470 -0.002 0.000 0.217 593 S C 1.865 176.656 174.600 0.319 0.000 1.032 593 S CA 0.705 59.014 58.200 0.181 0.000 0.985 593 S CB -0.088 63.085 63.200 -0.045 0.000 0.896 593 S HN 0.130 nan 8.310 nan 0.000 0.445 594 M N 1.623 121.402 119.600 0.298 0.000 2.082 594 M HA -0.090 4.389 4.480 -0.002 0.000 0.258 594 M C 2.157 178.565 176.300 0.179 0.000 1.069 594 M CA 1.248 56.757 55.300 0.347 0.000 1.102 594 M CB -0.605 32.139 32.600 0.240 0.000 1.336 594 M HN 0.065 nan 8.290 nan 0.000 0.404 595 R N 0.371 120.928 120.500 0.095 0.000 2.271 595 R HA -0.261 4.078 4.340 -0.002 0.000 0.235 595 R C 2.070 178.400 176.300 0.050 0.000 1.112 595 R CA 2.324 58.449 56.100 0.042 0.000 0.886 595 R CB -1.207 29.109 30.300 0.026 0.000 0.934 595 R HN 0.383 nan 8.270 nan 0.000 0.420 596 E N -0.573 119.683 120.200 0.093 0.000 1.992 596 E HA -0.179 4.170 4.350 -0.002 0.000 0.202 596 E C 1.815 178.468 176.600 0.089 0.000 1.007 596 E CA 1.684 58.140 56.400 0.093 0.000 0.857 596 E CB -0.953 28.828 29.700 0.136 0.000 0.796 596 E HN 0.434 nan 8.360 nan 0.000 0.486 597 Y N 0.958 121.275 120.300 0.028 0.000 2.038 597 Y HA -0.376 4.173 4.550 -0.002 0.000 0.266 597 Y C 1.998 177.839 175.900 -0.098 0.000 1.220 597 Y CA 2.020 60.051 58.100 -0.114 0.000 1.107 597 Y CB -0.382 37.952 38.460 -0.211 0.000 0.932 597 Y HN 0.049 nan 8.280 nan 0.000 0.500 598 L N 0.139 121.157 121.223 -0.341 0.000 1.937 598 L HA -0.224 4.115 4.340 -0.002 0.000 0.213 598 L C 2.321 179.021 176.870 -0.283 0.000 1.077 598 L CA 1.935 56.519 54.840 -0.426 0.000 0.758 598 L CB -0.923 41.062 42.059 -0.123 0.000 0.888 598 L HN 0.468 nan 8.230 nan 0.000 0.433 599 L N -3.168 117.969 121.223 -0.144 0.000 2.693 599 L HA 0.108 4.447 4.340 -0.002 0.000 0.242 599 L C 1.584 178.395 176.870 -0.097 0.000 1.157 599 L CA 0.409 55.181 54.840 -0.112 0.000 0.929 599 L CB -0.302 41.706 42.059 -0.086 0.000 1.103 599 L HN 0.229 nan 8.230 nan 0.000 0.430 600 E N 0.326 120.456 120.200 -0.116 0.000 2.290 600 E HA 0.082 4.431 4.350 -0.002 0.000 0.195 600 E C 1.616 178.159 176.600 -0.096 0.000 0.938 600 E CA 0.189 56.543 56.400 -0.076 0.000 1.018 600 E CB 0.105 29.787 29.700 -0.031 0.000 1.042 600 E HN 0.267 nan 8.360 nan 0.000 0.483 601 K N 1.313 121.625 120.400 -0.147 0.000 1.991 601 K HA -0.013 4.306 4.320 -0.002 0.000 0.207 601 K C 1.176 177.674 176.600 -0.171 0.000 1.045 601 K CA 0.869 57.076 56.287 -0.133 0.000 0.937 601 K CB -0.239 32.204 32.500 -0.095 0.000 0.720 601 K HN 0.047 nan 8.250 nan 0.000 0.438 602 E N 1.742 121.761 120.200 -0.302 0.000 2.545 602 E HA 0.013 4.362 4.350 -0.002 0.000 0.271 602 E C 1.077 177.586 176.600 -0.153 0.000 1.508 602 E CA -0.002 56.261 56.400 -0.229 0.000 1.774 602 E CB 0.023 29.535 29.700 -0.313 0.000 1.460 602 E HN 0.109 nan 8.360 nan 0.000 0.449 603 S N 0.696 116.330 115.700 -0.111 0.000 2.356 603 S HA -0.147 4.322 4.470 -0.002 0.000 0.223 603 S C 1.711 176.276 174.600 -0.058 0.000 1.032 603 S CA 1.305 59.459 58.200 -0.077 0.000 1.005 603 S CB 0.071 63.238 63.200 -0.055 0.000 0.867 603 S HN 0.259 nan 8.310 nan 0.000 0.449 604 S N 0.098 115.768 115.700 -0.050 0.000 2.859 604 S HA 0.348 4.817 4.470 -0.002 0.000 0.245 604 S C 0.825 175.400 174.600 -0.041 0.000 1.008 604 S CA 0.500 58.680 58.200 -0.034 0.000 1.089 604 S CB -0.569 62.618 63.200 -0.021 0.000 0.798 604 S HN 0.527 nan 8.310 nan 0.000 0.477 605 S N -0.766 114.898 115.700 -0.060 0.000 3.916 605 S HA 0.288 4.757 4.470 -0.002 0.000 0.231 605 S C -0.072 174.479 174.600 -0.081 0.000 1.161 605 S CA 0.022 58.178 58.200 -0.072 0.000 0.938 605 S CB 0.026 63.178 63.200 -0.081 0.000 1.170 605 S HN 0.206 nan 8.310 nan 0.000 0.508 606 V N 2.608 122.471 119.914 -0.084 0.000 2.686 606 V HA 0.557 4.676 4.120 -0.002 0.000 0.295 606 V C 1.131 177.198 176.094 -0.043 0.000 1.057 606 V CA 0.422 62.681 62.300 -0.068 0.000 1.012 606 V CB 1.541 33.316 31.823 -0.081 0.000 1.006 606 V HN 0.510 nan 8.190 nan 0.000 0.477 607 S N 1.556 117.248 115.700 -0.014 0.000 2.539 607 S HA 0.222 4.690 4.470 -0.002 0.000 0.226 607 S C 0.483 175.099 174.600 0.027 0.000 1.054 607 S CA 0.516 58.722 58.200 0.011 0.000 0.910 607 S CB 0.185 63.404 63.200 0.032 0.000 0.818 607 S HN 1.140 nan 8.310 nan 0.000 0.490 608 S N -0.278 115.454 115.700 0.054 0.000 2.565 608 S HA 0.633 5.101 4.470 -0.002 0.000 0.274 608 S C -1.625 173.046 174.600 0.119 0.000 1.144 608 S CA -0.721 57.507 58.200 0.045 0.000 0.849 608 S CB 1.503 64.813 63.200 0.184 0.000 1.103 608 S HN 0.115 nan 8.310 nan 0.000 0.455 609 V N 2.522 122.465 119.914 0.048 0.000 2.483 609 V HA 0.624 4.743 4.120 -0.002 0.000 0.297 609 V C -1.134 175.146 176.094 0.309 0.000 1.027 609 V CA -0.549 61.852 62.300 0.170 0.000 0.855 609 V CB 1.262 33.126 31.823 0.068 0.000 0.995 609 V HN 0.888 nan 8.190 nan 0.000 0.424 610 F N 3.317 123.492 119.950 0.374 0.000 2.411 610 F HA 0.638 5.164 4.527 -0.001 0.000 0.352 610 F C 0.411 176.374 175.800 0.271 0.000 1.123 610 F CA 0.097 58.366 58.000 0.447 0.000 1.044 610 F CB 1.529 40.800 39.000 0.451 0.000 1.135 610 F HN 0.462 nan 8.300 nan 0.000 0.461 611 T N 6.040 120.382 114.554 -0.353 0.000 2.795 611 T HA 0.559 4.908 4.350 -0.002 0.000 0.282 611 T C -0.990 173.426 174.700 -0.474 0.000 0.980 611 T CA -0.424 61.503 62.100 -0.289 0.000 1.012 611 T CB 1.195 69.944 68.868 -0.198 0.000 0.936 611 T HN 0.348 nan 8.240 nan 0.000 0.457 612 V N 4.721 124.460 119.914 -0.292 0.000 2.443 612 V HA 0.455 4.574 4.120 -0.002 0.000 0.293 612 V C 0.222 176.223 176.094 -0.155 0.000 1.021 612 V CA -0.954 61.170 62.300 -0.293 0.000 0.848 612 V CB 1.783 33.389 31.823 -0.363 0.000 0.998 612 V HN 1.070 nan 8.190 nan 0.000 0.424 613 T N 0.612 115.103 114.554 -0.105 0.000 2.794 613 T HA 0.688 5.037 4.350 -0.002 0.000 0.280 613 T C 0.881 175.591 174.700 0.017 0.000 0.987 613 T CA 0.136 62.204 62.100 -0.053 0.000 0.993 613 T CB 1.542 70.380 68.868 -0.051 0.000 0.939 613 T HN 1.537 nan 8.240 nan 0.000 0.449 614 G N 1.195 110.017 108.800 0.038 0.000 2.192 614 G HA2 -0.082 3.877 3.960 -0.002 0.000 0.193 614 G HA3 -0.082 3.877 3.960 -0.002 0.000 0.193 614 G C -0.329 174.692 174.900 0.201 0.000 0.999 614 G CA -0.203 44.955 45.100 0.098 0.000 0.659 614 G HN 1.056 nan 8.290 nan 0.000 0.503 615 F N 0.993 120.928 119.950 -0.025 0.000 2.622 615 F HA 0.657 5.183 4.527 -0.002 0.000 0.318 615 F C -0.902 174.834 175.800 -0.108 0.000 1.135 615 F CA -0.870 57.125 58.000 -0.007 0.000 1.015 615 F CB 1.022 40.079 39.000 0.096 0.000 1.275 615 F HN 0.070 nan 8.300 nan 0.000 0.457 616 N N 3.391 121.492 118.700 -0.997 0.000 3.167 616 N HA 0.472 5.210 4.740 -0.002 0.000 0.323 616 N C -0.043 174.733 175.510 -1.224 0.000 1.478 616 N CA -0.938 51.517 53.050 -0.992 0.000 0.753 616 N CB 1.653 39.855 38.487 -0.475 0.000 1.721 616 N HN 0.570 nan 8.380 nan 0.000 0.618 617 F N 0.079 119.728 119.950 -0.502 0.000 2.569 617 F HA 0.200 4.726 4.527 -0.002 0.000 0.295 617 F C 2.134 177.831 175.800 -0.172 0.000 1.115 617 F CA 0.114 57.940 58.000 -0.290 0.000 1.450 617 F CB 0.248 39.168 39.000 -0.133 0.000 1.107 617 F HN 0.488 nan 8.300 nan 0.000 0.563 618 A N 0.097 122.904 122.820 -0.022 0.000 1.935 618 A HA 0.465 4.784 4.320 -0.002 0.000 0.214 618 A C 1.304 178.856 177.584 -0.054 0.000 1.178 618 A CA 1.276 53.302 52.037 -0.018 0.000 0.640 618 A CB -0.662 18.321 19.000 -0.028 0.000 0.825 618 A HN 0.324 nan 8.150 nan 0.000 0.447 619 G N -1.504 107.224 108.800 -0.120 0.000 2.606 619 G HA2 0.491 4.450 3.960 -0.002 0.000 0.300 619 G HA3 0.491 4.450 3.960 -0.002 0.000 0.300 619 G C -0.358 174.478 174.900 -0.108 0.000 1.360 619 G CA -0.100 44.955 45.100 -0.076 0.000 0.783 619 G HN 0.524 nan 8.290 nan 0.000 0.484 620 R N -0.382 120.119 120.500 0.002 0.000 2.534 620 R HA 0.336 4.675 4.340 -0.002 0.000 0.438 620 R C 0.547 176.897 176.300 0.084 0.000 0.913 620 R CA 0.134 56.285 56.100 0.085 0.000 1.130 620 R CB 0.294 30.768 30.300 0.291 0.000 1.611 620 R HN 0.861 nan 8.270 nan 0.000 0.571 621 G N 0.863 109.685 108.800 0.036 0.000 2.611 621 G HA2 -0.073 3.886 3.960 -0.002 0.000 0.273 621 G HA3 -0.073 3.886 3.960 -0.002 0.000 0.273 621 G C 0.206 175.123 174.900 0.028 0.000 1.305 621 G CA -0.459 44.661 45.100 0.033 0.000 1.010 621 G HN 0.310 nan 8.290 nan 0.000 0.509 622 Q N -1.099 118.716 119.800 0.026 0.000 2.364 622 Q HA -0.099 4.240 4.340 -0.002 0.000 0.209 622 Q C 2.596 178.594 176.000 -0.004 0.000 0.977 622 Q CA 1.252 57.066 55.803 0.019 0.000 0.885 622 Q CB -0.075 28.676 28.738 0.022 0.000 0.941 622 Q HN 0.554 nan 8.270 nan 0.000 0.464 623 S N -0.531 115.161 115.700 -0.013 0.000 2.436 623 S HA -0.031 4.438 4.470 -0.002 0.000 0.228 623 S C 0.603 175.169 174.600 -0.057 0.000 1.014 623 S CA 0.466 58.647 58.200 -0.033 0.000 0.950 623 S CB 0.122 63.303 63.200 -0.031 0.000 0.784 623 S HN 0.391 nan 8.310 nan 0.000 0.504 624 S N -0.306 115.359 115.700 -0.059 0.000 2.565 624 S HA 0.838 5.307 4.470 -0.002 0.000 0.290 624 S C -0.024 174.513 174.600 -0.104 0.000 1.150 624 S CA -0.305 57.836 58.200 -0.099 0.000 1.058 624 S CB 1.534 64.663 63.200 -0.117 0.000 1.032 624 S HN 0.608 nan 8.310 nan 0.000 0.510 625 G N 0.868 109.575 108.800 -0.155 0.000 2.632 625 G HA2 0.599 4.558 3.960 -0.002 0.000 0.292 625 G HA3 0.599 4.558 3.960 -0.002 0.000 0.292 625 G C -1.083 173.678 174.900 -0.232 0.000 1.465 625 G CA -1.004 43.999 45.100 -0.162 0.000 0.824 625 G HN 1.014 nan 8.290 nan 0.000 0.509 626 M N -0.201 119.248 119.600 -0.251 0.000 2.948 626 M HA 0.950 5.429 4.480 -0.002 0.000 0.278 626 M C -0.836 175.314 176.300 -0.249 0.000 1.293 626 M CA -1.235 53.876 55.300 -0.316 0.000 0.777 626 M CB 2.154 34.455 32.600 -0.499 0.000 1.713 626 M HN 1.411 nan 8.290 nan 0.000 0.444 627 A N 0.701 123.374 122.820 -0.246 0.000 2.455 627 A HA 0.806 5.125 4.320 -0.002 0.000 0.300 627 A C -1.974 175.579 177.584 -0.053 0.000 1.040 627 A CA -0.506 51.483 52.037 -0.079 0.000 0.697 627 A CB 1.028 20.020 19.000 -0.013 0.000 1.265 627 A HN 0.715 nan 8.150 nan 0.000 0.407 628 F N 3.601 123.706 119.950 0.259 0.000 2.334 628 F HA 0.343 4.869 4.527 -0.002 0.000 0.365 628 F C 0.187 176.161 175.800 0.289 0.000 1.124 628 F CA -0.556 57.633 58.000 0.314 0.000 1.166 628 F CB 0.817 40.006 39.000 0.315 0.000 1.355 628 F HN 0.299 nan 8.300 nan 0.000 0.532 629 I N 4.113 124.864 120.570 0.301 0.000 2.352 629 I HA 0.195 4.364 4.170 -0.002 0.000 0.290 629 I C -0.088 176.149 176.117 0.199 0.000 1.036 629 I CA -0.548 60.877 61.300 0.207 0.000 1.336 629 I CB 0.805 38.866 38.000 0.102 0.000 1.407 629 I HN 0.488 nan 8.210 nan 0.000 0.497 630 M N 7.407 127.125 119.600 0.197 0.000 2.114 630 M HA 0.464 4.943 4.480 -0.002 0.000 0.332 630 M C -0.871 175.457 176.300 0.047 0.000 1.014 630 M CA -0.368 55.021 55.300 0.149 0.000 0.956 630 M CB 1.019 33.749 32.600 0.218 0.000 1.551 630 M HN 0.335 nan 8.290 nan 0.000 0.427 631 L N 3.621 124.819 121.223 -0.041 0.000 2.468 631 L HA 0.459 4.798 4.340 -0.002 0.000 0.254 631 L C 0.542 177.358 176.870 -0.089 0.000 1.171 631 L CA -0.049 54.730 54.840 -0.102 0.000 0.809 631 L CB 0.341 42.272 42.059 -0.214 0.000 1.155 631 L HN 0.584 nan 8.230 nan 0.000 0.473 632 K N 0.779 121.127 120.400 -0.087 0.000 2.149 632 K HA 0.279 4.598 4.320 -0.002 0.000 0.245 632 K C -2.257 174.310 176.600 -0.056 0.000 1.024 632 K CA -1.568 54.694 56.287 -0.041 0.000 0.899 632 K CB -0.318 32.171 32.500 -0.018 0.000 1.038 632 K HN 0.302 nan 8.250 nan 0.000 0.496 633 P HA -0.096 nan 4.420 nan 0.000 0.266 633 P C -0.380 177.049 177.300 0.214 0.000 1.193 633 P CA 0.104 63.316 63.100 0.187 0.000 0.770 633 P CB 0.163 31.960 31.700 0.161 0.000 0.836 634 W N 1.212 122.525 121.300 0.022 0.000 2.982 634 W HA 0.035 4.694 4.660 -0.001 0.000 0.239 634 W C 0.812 177.350 176.519 0.033 0.000 1.303 634 W CA 0.435 57.798 57.345 0.031 0.000 1.448 634 W CB -1.321 28.164 29.460 0.042 0.000 1.133 634 W HN 0.447 nan 8.180 nan 0.000 0.698 635 E N 0.066 120.416 120.200 0.250 0.000 2.451 635 E HA 0.045 4.394 4.350 -0.002 0.000 0.194 635 E C 0.674 177.336 176.600 0.103 0.000 1.027 635 E CA 0.217 56.707 56.400 0.151 0.000 0.914 635 E CB 0.069 29.838 29.700 0.116 0.000 1.054 635 E HN 0.460 nan 8.360 nan 0.000 0.461 636 E N 0.354 120.612 120.200 0.096 0.000 2.665 636 E HA 0.069 4.418 4.350 -0.002 0.000 0.225 636 E C 0.822 177.446 176.600 0.041 0.000 0.922 636 E CA 0.002 56.436 56.400 0.056 0.000 1.242 636 E CB 0.663 30.389 29.700 0.043 0.000 1.197 636 E HN 0.055 nan 8.360 nan 0.000 0.581 637 R N 0.393 120.923 120.500 0.050 0.000 2.642 637 R HA 0.300 4.638 4.340 -0.002 0.000 0.435 637 R C -2.693 173.639 176.300 0.054 0.000 1.046 637 R CA -1.137 54.980 56.100 0.028 0.000 1.103 637 R CB -0.282 30.008 30.300 -0.017 0.000 1.425 637 R HN -0.125 nan 8.270 nan 0.000 0.586 638 P HA 0.229 nan 4.420 nan 0.000 0.276 638 P C 0.419 177.759 177.300 0.067 0.000 1.243 638 P CA 0.389 63.546 63.100 0.096 0.000 0.768 638 P CB 1.423 33.186 31.700 0.104 0.000 0.856 639 G N 1.353 110.191 108.800 0.064 0.000 4.589 639 G HA2 0.295 4.254 3.960 -0.002 0.000 0.218 639 G HA3 0.295 4.254 3.960 -0.002 0.000 0.218 639 G C 0.806 175.734 174.900 0.047 0.000 0.678 639 G CA 0.748 45.877 45.100 0.049 0.000 0.859 639 G HN 0.773 nan 8.290 nan 0.000 0.650 640 G N 1.401 110.236 108.800 0.058 0.000 2.562 640 G HA2 -0.431 3.528 3.960 -0.002 0.000 0.241 640 G HA3 -0.431 3.528 3.960 -0.002 0.000 0.241 640 G C 1.317 176.251 174.900 0.057 0.000 1.120 640 G CA 1.747 46.883 45.100 0.059 0.000 0.673 640 G HN 1.246 nan 8.290 nan 0.000 0.519 641 E N 0.436 120.662 120.200 0.044 0.000 2.152 641 E HA 0.027 4.376 4.350 -0.002 0.000 0.192 641 E C 1.566 178.184 176.600 0.031 0.000 0.983 641 E CA 1.086 57.509 56.400 0.038 0.000 0.818 641 E CB -0.421 29.295 29.700 0.027 0.000 0.758 641 E HN 0.635 nan 8.360 nan 0.000 0.467 642 N N 1.288 120.001 118.700 0.023 0.000 2.346 642 N HA 0.022 4.761 4.740 -0.002 0.000 0.225 642 N C -0.440 175.062 175.510 -0.014 0.000 1.144 642 N CA -0.286 52.763 53.050 -0.002 0.000 0.837 642 N CB 0.620 39.101 38.487 -0.009 0.000 1.069 642 N HN 0.067 nan 8.380 nan 0.000 0.487 643 S N -0.317 115.399 115.700 0.026 0.000 2.580 643 S HA 0.117 4.585 4.470 -0.002 0.000 0.274 643 S C 1.536 176.121 174.600 -0.025 0.000 1.329 643 S CA -0.701 57.524 58.200 0.041 0.000 1.036 643 S CB 1.460 64.761 63.200 0.168 0.000 0.919 643 S HN -0.036 nan 8.310 nan 0.000 0.515 644 V N 4.373 124.187 119.914 -0.166 0.000 2.469 644 V HA -0.130 3.989 4.120 -0.002 0.000 0.251 644 V C 1.603 177.543 176.094 -0.255 0.000 1.064 644 V CA 2.037 64.160 62.300 -0.295 0.000 1.066 644 V CB -0.972 30.547 31.823 -0.507 0.000 0.667 644 V HN 0.909 nan 8.190 nan 0.000 0.461 645 F N -0.336 119.630 119.950 0.028 0.000 2.367 645 F HA -0.018 4.508 4.527 -0.002 0.000 0.298 645 F C 2.318 178.153 175.800 0.059 0.000 1.094 645 F CA 1.178 59.212 58.000 0.056 0.000 1.409 645 F CB -0.276 38.759 39.000 0.059 0.000 1.064 645 F HN 0.151 nan 8.300 nan 0.000 0.528 646 E N 0.612 120.932 120.200 0.199 0.000 2.112 646 E HA -0.051 4.298 4.350 -0.002 0.000 0.190 646 E C 2.198 178.857 176.600 0.099 0.000 0.979 646 E CA 0.568 57.047 56.400 0.132 0.000 0.814 646 E CB -0.344 29.416 29.700 0.100 0.000 0.762 646 E HN 0.326 nan 8.360 nan 0.000 0.460 647 L N -0.201 121.060 121.223 0.063 0.000 2.083 647 L HA -0.192 4.147 4.340 -0.002 0.000 0.209 647 L C 2.211 179.150 176.870 0.114 0.000 1.083 647 L CA 1.152 56.027 54.840 0.059 0.000 0.752 647 L CB -0.360 41.699 42.059 -0.000 0.000 0.899 647 L HN 0.219 nan 8.230 nan 0.000 0.433 648 A N 0.189 123.076 122.820 0.112 0.000 1.865 648 A HA -0.263 4.055 4.320 -0.002 0.000 0.217 648 A C 2.251 179.954 177.584 0.198 0.000 1.191 648 A CA 2.023 54.155 52.037 0.160 0.000 0.623 648 A CB -0.356 18.741 19.000 0.160 0.000 0.826 648 A HN 0.375 nan 8.150 nan 0.000 0.444 649 K N -0.869 119.636 120.400 0.175 0.000 2.001 649 K HA -0.130 4.189 4.320 -0.002 0.000 0.208 649 K C 2.393 179.073 176.600 0.133 0.000 1.048 649 K CA 1.443 57.823 56.287 0.154 0.000 0.932 649 K CB -0.253 32.323 32.500 0.126 0.000 0.715 649 K HN 0.490 nan 8.250 nan 0.000 0.437 650 R N 1.298 121.869 120.500 0.119 0.000 2.094 650 R HA -0.217 4.121 4.340 -0.002 0.000 0.239 650 R C 2.265 178.631 176.300 0.111 0.000 1.137 650 R CA 1.929 58.091 56.100 0.104 0.000 0.943 650 R CB -0.478 29.887 30.300 0.108 0.000 0.850 650 R HN 0.231 nan 8.270 nan 0.000 0.433 651 A N 0.339 123.270 122.820 0.185 0.000 1.902 651 A HA -0.224 4.095 4.320 -0.002 0.000 0.217 651 A C 2.076 179.651 177.584 -0.015 0.000 1.181 651 A CA 1.614 53.734 52.037 0.139 0.000 0.623 651 A CB -0.610 18.646 19.000 0.428 0.000 0.818 651 A HN 0.622 nan 8.150 nan 0.000 0.443 652 Q N -1.240 118.742 119.800 0.303 0.000 2.515 652 Q HA 0.095 4.434 4.340 -0.002 0.000 0.212 652 Q C 1.640 177.804 176.000 0.273 0.000 0.970 652 Q CA 0.442 56.516 55.803 0.451 0.000 0.941 652 Q CB -0.150 28.837 28.738 0.415 0.000 0.998 652 Q HN 0.710 nan 8.270 nan 0.000 0.518 653 M N -2.141 117.521 119.600 0.103 0.000 2.552 653 M HA -0.031 4.448 4.480 -0.002 0.000 0.264 653 M C 1.416 177.699 176.300 -0.030 0.000 1.159 653 M CA 0.724 56.050 55.300 0.042 0.000 1.176 653 M CB 0.033 32.619 32.600 -0.024 0.000 1.327 653 M HN 0.305 nan 8.290 nan 0.000 0.481 654 H N -0.152 118.710 119.070 -0.347 0.000 2.555 654 H HA 0.031 4.586 4.556 -0.002 0.000 0.269 654 H C 1.185 176.164 175.328 -0.583 0.000 0.988 654 H CA 1.266 56.943 56.048 -0.618 0.000 1.178 654 H CB 0.128 29.182 29.762 -1.180 0.000 1.373 654 H HN 0.257 nan 8.280 nan 0.000 0.588 655 F N -2.065 117.898 119.950 0.022 0.000 2.714 655 F HA 0.050 4.576 4.527 -0.002 0.000 0.294 655 F C 1.415 177.300 175.800 0.142 0.000 1.120 655 F CA -0.376 57.758 58.000 0.222 0.000 1.398 655 F CB 0.107 39.298 39.000 0.318 0.000 1.120 655 F HN 0.163 nan 8.300 nan 0.000 0.589 656 F N 0.327 120.323 119.950 0.077 0.000 2.365 656 F HA -0.165 4.361 4.527 -0.002 0.000 0.300 656 F C 2.409 178.153 175.800 -0.093 0.000 1.090 656 F CA 0.983 58.992 58.000 0.016 0.000 1.408 656 F CB -0.339 38.654 39.000 -0.013 0.000 1.060 656 F HN -0.108 nan 8.300 nan 0.000 0.534 657 S N 0.082 115.663 115.700 -0.197 0.000 2.343 657 S HA -0.172 4.296 4.470 -0.002 0.000 0.219 657 S C 0.688 175.061 174.600 -0.378 0.000 1.033 657 S CA 0.460 58.415 58.200 -0.409 0.000 1.014 657 S CB -0.681 62.063 63.200 -0.761 0.000 0.915 657 S HN 0.122 nan 8.310 nan 0.000 0.435 658 F N 2.843 122.734 119.950 -0.099 0.000 2.539 658 F HA 0.127 4.652 4.527 -0.002 0.000 0.393 658 F C 1.244 176.966 175.800 -0.129 0.000 1.032 658 F CA -0.217 57.737 58.000 -0.077 0.000 1.120 658 F CB 0.196 39.191 39.000 -0.009 0.000 1.014 658 F HN 0.210 nan 8.300 nan 0.000 0.546 659 K N 0.479 120.888 120.400 0.015 0.000 2.361 659 K HA -0.015 4.304 4.320 -0.002 0.000 0.196 659 K C 0.935 177.511 176.600 -0.040 0.000 1.039 659 K CA 0.832 57.075 56.287 -0.073 0.000 1.001 659 K CB -0.349 32.098 32.500 -0.088 0.000 0.795 659 K HN 0.535 nan 8.250 nan 0.000 0.495 660 D N 1.491 121.895 120.400 0.007 0.000 2.278 660 D HA 0.036 4.675 4.640 -0.002 0.000 0.228 660 D C 0.402 176.687 176.300 -0.026 0.000 1.020 660 D CA 0.405 54.397 54.000 -0.013 0.000 0.922 660 D CB -0.739 40.057 40.800 -0.006 0.000 1.051 660 D HN 0.095 nan 8.370 nan 0.000 0.452 661 A N 0.934 123.737 122.820 -0.028 0.000 2.327 661 A HA 0.485 4.804 4.320 -0.002 0.000 0.283 661 A C 0.507 178.059 177.584 -0.053 0.000 1.127 661 A CA -0.535 51.463 52.037 -0.066 0.000 0.810 661 A CB 0.372 19.301 19.000 -0.119 0.000 1.066 661 A HN 0.196 nan 8.150 nan 0.000 0.492 662 M N 1.838 121.399 119.600 -0.067 0.000 2.233 662 M HA 0.286 4.765 4.480 -0.002 0.000 0.350 662 M C -0.581 175.665 176.300 -0.090 0.000 1.176 662 M CA -0.008 55.260 55.300 -0.053 0.000 1.150 662 M CB 0.720 33.284 32.600 -0.059 0.000 1.530 662 M HN 0.298 nan 8.290 nan 0.000 0.459 663 V N 5.047 124.927 119.914 -0.056 0.000 2.398 663 V HA 0.300 4.419 4.120 -0.002 0.000 0.282 663 V C -1.069 174.983 176.094 -0.069 0.000 1.014 663 V CA -0.642 61.534 62.300 -0.207 0.000 0.838 663 V CB 1.332 32.877 31.823 -0.462 0.000 1.018 663 V HN 0.638 nan 8.190 nan 0.000 0.432 664 F N 5.006 124.779 119.950 -0.295 0.000 2.361 664 F HA 0.803 5.329 4.527 -0.002 0.000 0.364 664 F C 0.357 175.927 175.800 -0.383 0.000 1.117 664 F CA -1.540 56.299 58.000 -0.268 0.000 1.071 664 F CB 1.085 39.905 39.000 -0.299 0.000 1.188 664 F HN 0.516 nan 8.300 nan 0.000 0.464 665 A N 8.647 131.292 122.820 -0.292 0.000 2.260 665 A HA 0.673 4.992 4.320 -0.002 0.000 0.314 665 A C -1.014 176.366 177.584 -0.340 0.000 1.257 665 A CA -0.504 51.362 52.037 -0.285 0.000 0.871 665 A CB -0.288 18.778 19.000 0.110 0.000 1.166 665 A HN 0.776 nan 8.150 nan 0.000 0.522 666 F N 0.438 120.172 119.950 -0.360 0.000 2.620 666 F HA 0.890 5.416 4.527 -0.001 0.000 0.320 666 F C 0.077 175.840 175.800 -0.061 0.000 1.069 666 F CA -1.454 56.390 58.000 -0.259 0.000 0.953 666 F CB 1.877 40.618 39.000 -0.432 0.000 1.322 666 F HN 0.619 nan 8.300 nan 0.000 0.479 667 A N 1.615 124.522 122.820 0.146 0.000 2.337 667 A HA 0.876 5.195 4.320 -0.002 0.000 0.331 667 A C -2.931 174.639 177.584 -0.023 0.000 1.137 667 A CA -2.047 49.970 52.037 -0.033 0.000 0.807 667 A CB 1.185 20.076 19.000 -0.182 0.000 1.250 667 A HN 0.530 nan 8.150 nan 0.000 0.468 668 P HA 0.458 nan 4.420 nan 0.000 0.277 668 P C -2.484 174.876 177.300 0.100 0.000 1.240 668 P CA -1.113 62.014 63.100 0.046 0.000 0.798 668 P CB 0.030 31.798 31.700 0.113 0.000 0.979 677 A N 0.043 122.748 122.820 -0.192 0.000 2.517 677 A HA 0.644 4.963 4.320 -0.002 0.000 0.297 677 A C -0.535 177.048 177.584 -0.002 0.000 1.050 677 A CA -0.371 51.535 52.037 -0.218 0.000 0.694 677 A CB 0.651 19.486 19.000 -0.275 0.000 1.277 677 A HN 0.019 nan 8.150 nan 0.000 0.400 678 T N 1.268 115.861 114.554 0.064 0.000 2.855 678 T HA 0.538 4.886 4.350 -0.002 0.000 0.314 678 T C 1.177 175.999 174.700 0.204 0.000 1.077 678 T CA 1.189 63.381 62.100 0.152 0.000 1.095 678 T CB 0.721 69.708 68.868 0.198 0.000 0.987 678 T HN 2.452 nan 8.240 nan 0.000 0.546 679 G N 1.299 110.230 108.800 0.218 0.000 2.516 679 G HA2 0.062 4.021 3.960 -0.002 0.000 0.220 679 G HA3 0.062 4.021 3.960 -0.002 0.000 0.220 679 G C -0.871 174.233 174.900 0.340 0.000 1.165 679 G CA -0.123 45.144 45.100 0.279 0.000 1.013 679 G HN 1.145 nan 8.290 nan 0.000 0.590 680 F N 1.923 121.979 119.950 0.176 0.000 2.640 680 F HA 0.835 5.361 4.527 -0.002 0.000 0.324 680 F C -1.068 174.853 175.800 0.202 0.000 1.077 680 F CA -0.335 57.787 58.000 0.203 0.000 0.965 680 F CB 2.376 41.520 39.000 0.241 0.000 1.351 680 F HN 1.034 nan 8.300 nan 0.000 0.487 681 D N 2.053 122.074 120.400 -0.631 0.000 2.655 681 D HA 0.522 5.161 4.640 -0.002 0.000 0.229 681 D C -2.179 173.783 176.300 -0.563 0.000 1.229 681 D CA -0.345 53.207 54.000 -0.748 0.000 0.807 681 D CB 2.007 42.649 40.800 -0.263 0.000 1.514 681 D HN 0.970 nan 8.370 nan 0.000 0.444 682 L N 0.661 121.538 121.223 -0.578 0.000 2.472 682 L HA 0.607 4.946 4.340 -0.002 0.000 0.260 682 L C -1.661 174.915 176.870 -0.490 0.000 0.963 682 L CA -0.936 53.633 54.840 -0.452 0.000 0.829 682 L CB 1.990 43.749 42.059 -0.499 0.000 1.348 682 L HN 0.404 nan 8.230 nan 0.000 0.408 683 F N 4.302 123.935 119.950 -0.529 0.000 2.403 683 F HA 0.454 4.980 4.527 -0.002 0.000 0.355 683 F C -0.149 175.375 175.800 -0.459 0.000 1.119 683 F CA -0.340 57.347 58.000 -0.522 0.000 1.007 683 F CB 1.455 39.989 39.000 -0.777 0.000 1.194 683 F HN 0.168 nan 8.300 nan 0.000 0.443 684 L N 4.660 125.710 121.223 -0.289 0.000 2.331 684 L HA 0.365 4.704 4.340 -0.002 0.000 0.278 684 L C -0.443 176.356 176.870 -0.118 0.000 1.106 684 L CA -0.275 54.439 54.840 -0.211 0.000 0.824 684 L CB 0.621 42.510 42.059 -0.283 0.000 1.142 684 L HN 0.529 nan 8.230 nan 0.000 0.443 685 Q N 1.817 121.572 119.800 -0.075 0.000 2.325 685 Q HA 0.207 4.546 4.340 -0.002 0.000 0.270 685 Q C -1.029 174.957 176.000 -0.024 0.000 1.020 685 Q CA -0.858 54.922 55.803 -0.037 0.000 0.785 685 Q CB 2.344 31.057 28.738 -0.041 0.000 1.259 685 Q HN 0.425 nan 8.270 nan 0.000 0.452 686 D N 2.148 122.537 120.400 -0.020 0.000 2.385 686 D HA -0.069 4.570 4.640 -0.002 0.000 0.260 686 D C 0.374 176.675 176.300 0.002 0.000 1.326 686 D CA 0.499 54.492 54.000 -0.012 0.000 1.023 686 D CB 0.818 41.611 40.800 -0.013 0.000 1.083 686 D HN 0.441 nan 8.370 nan 0.000 0.517 687 Q N 2.319 122.121 119.800 0.003 0.000 2.408 687 Q HA 0.323 4.662 4.340 -0.002 0.000 0.205 687 Q C -0.446 175.560 176.000 0.010 0.000 0.919 687 Q CA 0.184 55.992 55.803 0.008 0.000 0.932 687 Q CB 0.532 29.275 28.738 0.009 0.000 1.058 687 Q HN 0.532 nan 8.270 nan 0.000 0.517 688 A N -2.179 120.647 122.820 0.010 0.000 2.515 688 A HA 0.678 4.996 4.320 -0.002 0.000 0.296 688 A C 0.930 178.521 177.584 0.012 0.000 1.094 688 A CA -0.365 51.678 52.037 0.011 0.000 0.718 688 A CB 0.511 19.517 19.000 0.011 0.000 1.307 688 A HN 0.227 nan 8.150 nan 0.000 0.408 689 G N 0.203 109.011 108.800 0.013 0.000 3.665 689 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.251 689 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.251 689 G C 1.147 176.057 174.900 0.017 0.000 0.940 689 G CA 1.413 46.522 45.100 0.015 0.000 0.741 689 G HN 2.078 nan 8.290 nan 0.000 1.302 690 V N 2.302 122.225 119.914 0.016 0.000 2.613 690 V HA 0.378 4.497 4.120 -0.002 0.000 0.289 690 V C 1.309 177.414 176.094 0.019 0.000 0.985 690 V CA 1.266 63.577 62.300 0.018 0.000 1.181 690 V CB 0.070 31.902 31.823 0.015 0.000 0.883 690 V HN 0.829 nan 8.190 nan 0.000 0.465 691 G N 4.218 113.037 108.800 0.032 0.000 3.374 691 G HA2 0.083 4.042 3.960 -0.002 0.000 0.200 691 G HA3 0.083 4.042 3.960 -0.002 0.000 0.200 691 G C 0.806 175.737 174.900 0.052 0.000 1.801 691 G CA 0.514 45.637 45.100 0.039 0.000 0.842 691 G HN 0.856 nan 8.290 nan 0.000 0.688 692 H N 0.297 119.365 119.070 -0.003 0.000 2.357 692 H HA -0.116 4.439 4.556 -0.002 0.000 0.296 692 H C 2.401 177.723 175.328 -0.009 0.000 1.108 692 H CA 2.631 58.674 56.048 -0.009 0.000 1.273 692 H CB 0.136 29.890 29.762 -0.013 0.000 1.367 692 H HN 0.535 nan 8.280 nan 0.000 0.498 693 E N -0.462 119.831 120.200 0.154 0.000 2.005 693 E HA -0.207 4.142 4.350 -0.002 0.000 0.198 693 E C 2.510 179.123 176.600 0.021 0.000 1.010 693 E CA 2.001 58.462 56.400 0.101 0.000 0.825 693 E CB -0.214 29.536 29.700 0.084 0.000 0.769 693 E HN 0.508 nan 8.360 nan 0.000 0.456 694 V N 0.379 120.299 119.914 0.010 0.000 2.392 694 V HA -0.237 3.882 4.120 -0.002 0.000 0.249 694 V C 2.313 178.381 176.094 -0.043 0.000 1.059 694 V CA 1.501 63.795 62.300 -0.009 0.000 1.051 694 V CB -0.844 30.977 31.823 -0.003 0.000 0.658 694 V HN 0.251 nan 8.190 nan 0.000 0.455 695 L N -0.113 121.065 121.223 -0.075 0.000 2.017 695 L HA -0.104 4.235 4.340 -0.002 0.000 0.208 695 L C 2.493 179.268 176.870 -0.158 0.000 1.073 695 L CA 2.629 57.396 54.840 -0.121 0.000 0.745 695 L CB -0.823 41.142 42.059 -0.156 0.000 0.894 695 L HN 0.520 nan 8.230 nan 0.000 0.432 696 L N 0.186 121.284 121.223 -0.208 0.000 2.131 696 L HA -0.220 4.119 4.340 -0.002 0.000 0.210 696 L C 2.568 179.389 176.870 -0.082 0.000 1.092 696 L CA 1.721 56.455 54.840 -0.176 0.000 0.759 696 L CB -0.753 41.208 42.059 -0.163 0.000 0.903 696 L HN 0.411 nan 8.230 nan 0.000 0.435 697 Q N -0.791 118.978 119.800 -0.051 0.000 2.016 697 Q HA -0.183 4.156 4.340 -0.002 0.000 0.200 697 Q C 2.185 178.173 176.000 -0.020 0.000 0.978 697 Q CA 1.729 57.519 55.803 -0.022 0.000 0.833 697 Q CB -0.187 28.545 28.738 -0.009 0.000 0.895 697 Q HN 0.625 nan 8.270 nan 0.000 0.427 698 A N 1.201 124.003 122.820 -0.029 0.000 1.940 698 A HA -0.256 4.063 4.320 -0.002 0.000 0.219 698 A C 2.069 179.653 177.584 0.000 0.000 1.176 698 A CA 1.719 53.749 52.037 -0.013 0.000 0.631 698 A CB -0.716 18.266 19.000 -0.030 0.000 0.814 698 A HN 0.450 nan 8.150 nan 0.000 0.446 699 R N -0.183 120.285 120.500 -0.054 0.000 2.103 699 R HA -0.217 4.122 4.340 -0.002 0.000 0.242 699 R C 1.839 178.146 176.300 0.012 0.000 1.142 699 R CA 2.142 58.203 56.100 -0.065 0.000 0.960 699 R CB -0.351 29.878 30.300 -0.118 0.000 0.858 699 R HN 0.611 nan 8.270 nan 0.000 0.439 700 N N 0.212 118.915 118.700 0.004 0.000 2.109 700 N HA -0.098 4.641 4.740 -0.002 0.000 0.188 700 N C 1.393 176.924 175.510 0.035 0.000 1.034 700 N CA 1.409 54.468 53.050 0.015 0.000 0.846 700 N CB -0.056 38.431 38.487 0.001 0.000 1.010 700 N HN 0.163 nan 8.380 nan 0.000 0.425 701 K N 0.098 120.518 120.400 0.032 0.000 2.015 701 K HA -0.223 4.096 4.320 -0.002 0.000 0.216 701 K C 1.933 178.555 176.600 0.037 0.000 1.052 701 K CA 1.538 57.839 56.287 0.022 0.000 0.937 701 K CB -0.617 31.894 32.500 0.018 0.000 0.719 701 K HN 0.132 nan 8.250 nan 0.000 0.446 702 F N 1.714 121.627 119.950 -0.062 0.000 2.063 702 F HA -0.276 4.249 4.527 -0.002 0.000 0.298 702 F C 2.022 177.793 175.800 -0.048 0.000 1.109 702 F CA 1.342 59.304 58.000 -0.064 0.000 1.212 702 F CB -0.142 38.808 39.000 -0.083 0.000 0.973 702 F HN -0.003 nan 8.300 nan 0.000 0.480 703 L N -0.506 120.861 121.223 0.240 0.000 2.447 703 L HA -0.219 4.120 4.340 -0.002 0.000 0.225 703 L C 1.951 178.838 176.870 0.027 0.000 1.148 703 L CA 1.398 56.319 54.840 0.135 0.000 0.808 703 L CB -0.998 41.106 42.059 0.076 0.000 0.928 703 L HN 0.408 nan 8.230 nan 0.000 0.448 704 M N -1.253 118.342 119.600 -0.007 0.000 2.553 704 M HA 0.036 4.514 4.480 -0.002 0.000 0.255 704 M C 2.049 178.307 176.300 -0.069 0.000 1.181 704 M CA 1.100 56.381 55.300 -0.031 0.000 1.210 704 M CB -0.300 32.287 32.600 -0.022 0.000 1.280 704 M HN -0.055 nan 8.290 nan 0.000 0.495 705 L N -0.076 121.083 121.223 -0.106 0.000 2.270 705 L HA -0.243 4.095 4.340 -0.002 0.000 0.217 705 L C 2.221 178.985 176.870 -0.177 0.000 1.107 705 L CA 1.249 56.002 54.840 -0.146 0.000 0.772 705 L CB -1.024 40.919 42.059 -0.193 0.000 0.902 705 L HN 0.407 nan 8.230 nan 0.000 0.439 706 A N -0.452 122.249 122.820 -0.200 0.000 1.943 706 A HA 0.129 4.448 4.320 -0.002 0.000 0.213 706 A C 2.473 180.012 177.584 -0.075 0.000 1.181 706 A CA 0.903 52.831 52.037 -0.181 0.000 0.653 706 A CB -0.408 18.476 19.000 -0.193 0.000 0.833 706 A HN 0.321 nan 8.150 nan 0.000 0.451 707 A N -1.130 121.662 122.820 -0.047 0.000 2.178 707 A HA -0.102 4.217 4.320 -0.002 0.000 0.218 707 A C 1.965 179.535 177.584 -0.024 0.000 1.157 707 A CA 1.537 53.562 52.037 -0.021 0.000 0.689 707 A CB -0.218 18.775 19.000 -0.012 0.000 0.787 707 A HN 0.444 nan 8.150 nan 0.000 0.465 708 Q N -0.563 119.212 119.800 -0.041 0.000 2.396 708 Q HA 0.062 4.401 4.340 -0.002 0.000 0.220 708 Q C 0.462 176.437 176.000 -0.041 0.000 0.900 708 Q CA -0.071 55.710 55.803 -0.036 0.000 0.925 708 Q CB -0.373 28.341 28.738 -0.039 0.000 1.065 708 Q HN 0.666 nan 8.270 nan 0.000 0.535 709 N N 3.702 122.366 118.700 -0.059 0.000 2.411 709 N HA -0.040 4.699 4.740 -0.002 0.000 0.265 709 N C -1.710 173.776 175.510 -0.039 0.000 1.266 709 N CA -0.546 52.467 53.050 -0.061 0.000 0.889 709 N CB 1.186 39.617 38.487 -0.094 0.000 1.069 709 N HN -0.010 nan 8.380 nan 0.000 0.476 710 P HA 0.009 nan 4.420 nan 0.000 0.237 710 P C 0.579 177.868 177.300 -0.018 0.000 1.178 710 P CA 0.446 63.534 63.100 -0.020 0.000 0.766 710 P CB 0.235 31.923 31.700 -0.019 0.000 0.876 711 A N -0.359 122.445 122.820 -0.028 0.000 2.021 711 A HA 0.140 4.459 4.320 -0.002 0.000 0.216 711 A C 1.429 179.001 177.584 -0.020 0.000 1.163 711 A CA 0.582 52.602 52.037 -0.029 0.000 0.676 711 A CB -0.606 18.368 19.000 -0.044 0.000 0.818 711 A HN 0.167 nan 8.150 nan 0.000 0.453 712 L N -1.754 119.461 121.223 -0.014 0.000 2.299 712 L HA 0.642 4.981 4.340 -0.002 0.000 0.268 712 L C -0.116 176.778 176.870 0.039 0.000 1.012 712 L CA -0.891 53.957 54.840 0.014 0.000 0.816 712 L CB 1.163 43.230 42.059 0.013 0.000 1.355 712 L HN 0.375 nan 8.230 nan 0.000 0.457 713 Q N 0.306 120.152 119.800 0.077 0.000 2.443 713 Q HA 0.290 4.629 4.340 -0.002 0.000 0.258 713 Q C -0.972 175.096 176.000 0.114 0.000 0.967 713 Q CA -0.647 55.206 55.803 0.083 0.000 0.951 713 Q CB 1.647 30.437 28.738 0.088 0.000 1.459 713 Q HN 0.655 nan 8.270 nan 0.000 0.415 714 R N 0.656 121.201 120.500 0.075 0.000 3.770 714 R HA -0.155 4.184 4.340 -0.002 0.000 0.305 714 R C -0.006 176.308 176.300 0.024 0.000 1.184 714 R CA 0.917 57.035 56.100 0.030 0.000 0.823 714 R CB -2.348 28.032 30.300 0.133 0.000 1.285 714 R HN 0.537 nan 8.270 nan 0.000 0.499 715 V N -0.098 119.860 119.914 0.073 0.000 2.415 715 V HA 0.172 4.291 4.120 -0.002 0.000 0.252 715 V C 0.646 176.757 176.094 0.027 0.000 1.043 715 V CA 0.064 62.438 62.300 0.123 0.000 1.149 715 V CB 0.301 32.234 31.823 0.183 0.000 1.143 715 V HN 0.146 nan 8.190 nan 0.000 0.478 716 R N 6.396 126.878 120.500 -0.031 0.000 2.668 716 R HA 0.717 5.056 4.340 -0.002 0.000 0.279 716 R C -2.958 173.297 176.300 -0.075 0.000 0.976 716 R CA -2.404 53.629 56.100 -0.111 0.000 0.978 716 R CB 1.864 32.005 30.300 -0.265 0.000 1.133 716 R HN 0.440 nan 8.270 nan 0.000 0.484 717 P HA 0.180 nan 4.420 nan 0.000 0.293 717 P C -1.116 176.122 177.300 -0.104 0.000 1.313 717 P CA -0.321 62.707 63.100 -0.119 0.000 0.787 717 P CB 0.688 32.322 31.700 -0.109 0.000 0.910 718 N N 3.006 121.628 118.700 -0.130 0.000 2.968 718 N HA 0.308 5.047 4.740 -0.002 0.000 0.271 718 N C -0.088 175.360 175.510 -0.105 0.000 1.174 718 N CA 0.150 53.150 53.050 -0.083 0.000 1.096 718 N CB -0.138 38.303 38.487 -0.076 0.000 1.403 718 N HN 0.575 nan 8.380 nan 0.000 0.522 719 G N 1.388 110.140 108.800 -0.080 0.000 2.427 719 G HA2 0.349 4.307 3.960 -0.002 0.000 0.306 719 G HA3 0.349 4.307 3.960 -0.002 0.000 0.306 719 G C -1.349 173.514 174.900 -0.061 0.000 1.280 719 G CA -0.570 44.487 45.100 -0.071 0.000 0.837 719 G HN 0.256 nan 8.290 nan 0.000 0.482 720 M N 0.025 119.593 119.600 -0.053 0.000 2.761 720 M HA 0.573 5.051 4.480 -0.002 0.000 0.305 720 M C -0.138 176.130 176.300 -0.053 0.000 1.235 720 M CA -0.819 54.450 55.300 -0.051 0.000 0.850 720 M CB 2.147 34.722 32.600 -0.043 0.000 1.744 720 M HN 0.441 nan 8.290 nan 0.000 0.480 721 S N 0.341 116.009 115.700 -0.054 0.000 2.617 721 S HA 0.247 4.716 4.470 -0.002 0.000 0.269 721 S C -0.721 173.827 174.600 -0.087 0.000 1.292 721 S CA -0.764 57.401 58.200 -0.058 0.000 1.010 721 S CB 0.557 63.731 63.200 -0.044 0.000 0.944 721 S HN 0.486 nan 8.310 nan 0.000 0.536 722 D N 1.862 122.179 120.400 -0.138 0.000 2.400 722 D HA 0.205 4.844 4.640 -0.002 0.000 0.238 722 D C 0.116 176.196 176.300 -0.368 0.000 1.157 722 D CA 0.514 54.328 54.000 -0.310 0.000 0.889 722 D CB 0.404 40.896 40.800 -0.513 0.000 1.199 722 D HN 0.309 nan 8.370 nan 0.000 0.436 723 E N 0.822 120.781 120.200 -0.401 0.000 2.256 723 E HA 0.360 4.709 4.350 -0.002 0.000 0.267 723 E C -2.404 174.226 176.600 0.051 0.000 0.892 723 E CA -2.084 54.240 56.400 -0.126 0.000 0.775 723 E CB 1.577 31.253 29.700 -0.041 0.000 1.207 723 E HN 0.086 nan 8.360 nan 0.000 0.420 724 P HA 0.031 nan 4.420 nan 0.000 0.267 724 P C -0.883 176.666 177.300 0.414 0.000 1.205 724 P CA 0.411 63.782 63.100 0.452 0.000 0.765 724 P CB 0.419 32.263 31.700 0.240 0.000 0.828 725 Q N 2.075 122.158 119.800 0.473 0.000 2.321 725 Q HA 0.290 4.629 4.340 -0.002 0.000 0.270 725 Q C -1.210 174.933 176.000 0.239 0.000 1.032 725 Q CA -0.782 55.199 55.803 0.298 0.000 0.784 725 Q CB 2.014 30.836 28.738 0.139 0.000 1.264 725 Q HN 0.412 nan 8.270 nan 0.000 0.448 726 Y N 3.177 123.374 120.300 -0.171 0.000 2.486 726 Y HA 0.115 4.664 4.550 -0.002 0.000 0.348 726 Y C -0.054 175.637 175.900 -0.348 0.000 1.000 726 Y CA 0.105 57.853 58.100 -0.587 0.000 1.253 726 Y CB 0.377 38.366 38.460 -0.786 0.000 1.140 726 Y HN 0.296 nan 8.280 nan 0.000 0.526 727 K N 5.743 125.757 120.400 -0.644 0.000 2.107 727 K HA 0.428 4.747 4.320 -0.002 0.000 0.251 727 K C -1.207 175.047 176.600 -0.576 0.000 1.012 727 K CA -0.375 55.647 56.287 -0.441 0.000 0.920 727 K CB 0.819 33.151 32.500 -0.280 0.000 1.033 727 K HN 0.787 nan 8.250 nan 0.000 0.478 728 L N 2.421 123.463 121.223 -0.301 0.000 2.386 728 L HA 0.321 4.660 4.340 -0.002 0.000 0.271 728 L C -0.459 176.356 176.870 -0.091 0.000 0.993 728 L CA -0.628 54.090 54.840 -0.204 0.000 0.819 728 L CB 2.037 44.027 42.059 -0.115 0.000 1.294 728 L HN 0.468 nan 8.230 nan 0.000 0.414 729 E N 4.819 124.992 120.200 -0.045 0.000 2.182 729 E HA 0.368 4.717 4.350 -0.002 0.000 0.258 729 E C -0.856 175.797 176.600 0.088 0.000 0.879 729 E CA -0.433 55.972 56.400 0.008 0.000 0.754 729 E CB 2.494 32.181 29.700 -0.021 0.000 1.162 729 E HN 0.498 nan 8.360 nan 0.000 0.419 730 I N -0.657 119.987 120.570 0.125 0.000 2.339 730 I HA 0.419 4.588 4.170 -0.002 0.000 0.290 730 I C -0.157 176.032 176.117 0.121 0.000 0.994 730 I CA -0.802 60.614 61.300 0.193 0.000 1.191 730 I CB 1.311 39.458 38.000 0.245 0.000 1.343 730 I HN -0.026 nan 8.210 nan 0.000 0.458 731 D N 6.336 126.816 120.400 0.133 0.000 2.359 731 D HA 0.038 4.677 4.640 -0.002 0.000 0.250 731 D C 0.513 176.831 176.300 0.030 0.000 1.264 731 D CA 0.251 54.296 54.000 0.074 0.000 0.911 731 D CB 1.183 42.033 40.800 0.083 0.000 1.056 731 D HN 0.571 nan 8.370 nan 0.000 0.499 732 D N 1.672 122.080 120.400 0.013 0.000 2.117 732 D HA -0.130 4.509 4.640 -0.002 0.000 0.198 732 D C 0.993 177.281 176.300 -0.020 0.000 0.982 732 D CA 1.065 55.058 54.000 -0.013 0.000 0.828 732 D CB 0.232 41.029 40.800 -0.004 0.000 0.967 732 D HN 0.536 nan 8.370 nan 0.000 0.464 733 E N -0.236 119.961 120.200 -0.005 0.000 2.403 733 E HA 0.108 4.457 4.350 -0.002 0.000 0.188 733 E C 0.625 177.224 176.600 -0.002 0.000 1.056 733 E CA 0.157 56.553 56.400 -0.006 0.000 0.892 733 E CB 0.377 30.077 29.700 -0.000 0.000 1.049 733 E HN 0.164 nan 8.360 nan 0.000 0.465 734 K N -0.937 119.463 120.400 -0.000 0.000 2.585 734 K HA 0.241 4.560 4.320 -0.002 0.000 0.210 734 K C 0.960 177.563 176.600 0.005 0.000 1.294 734 K CA 0.186 56.480 56.287 0.012 0.000 1.025 734 K CB 1.303 33.824 32.500 0.034 0.000 1.076 734 K HN -0.010 nan 8.250 nan 0.000 0.613 735 A N 0.659 123.450 122.820 -0.048 0.000 2.192 735 A HA 0.028 4.347 4.320 -0.002 0.000 0.208 735 A C 1.791 179.273 177.584 -0.170 0.000 1.220 735 A CA 0.533 52.471 52.037 -0.165 0.000 0.900 735 A CB 0.003 18.788 19.000 -0.357 0.000 0.937 735 A HN 0.163 nan 8.150 nan 0.000 0.487 736 S N 0.481 116.116 115.700 -0.108 0.000 2.474 736 S HA 0.093 4.562 4.470 -0.002 0.000 0.235 736 S C 1.897 176.462 174.600 -0.058 0.000 0.997 736 S CA 1.025 59.175 58.200 -0.082 0.000 0.949 736 S CB -0.378 62.789 63.200 -0.055 0.000 0.766 736 S HN 0.759 nan 8.310 nan 0.000 0.517 737 A N 2.398 125.191 122.820 -0.046 0.000 1.845 737 A HA 0.083 4.402 4.320 -0.002 0.000 0.215 737 A C 2.085 179.652 177.584 -0.028 0.000 1.195 737 A CA 1.563 53.584 52.037 -0.025 0.000 0.616 737 A CB -0.945 18.050 19.000 -0.009 0.000 0.832 737 A HN 0.488 nan 8.150 nan 0.000 0.443 738 L N -0.939 120.261 121.223 -0.039 0.000 2.362 738 L HA 0.119 4.458 4.340 -0.002 0.000 0.219 738 L C 1.881 178.725 176.870 -0.045 0.000 1.134 738 L CA 1.377 56.198 54.840 -0.032 0.000 0.807 738 L CB -0.595 41.446 42.059 -0.030 0.000 0.927 738 L HN 0.705 nan 8.230 nan 0.000 0.447 739 G N -1.131 107.631 108.800 -0.065 0.000 2.159 739 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.227 739 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.227 739 G C 0.274 175.130 174.900 -0.075 0.000 0.986 739 G CA 0.040 45.107 45.100 -0.056 0.000 0.651 739 G HN 0.189 nan 8.290 nan 0.000 0.523 740 V N 2.285 122.124 119.914 -0.125 0.000 2.583 740 V HA 0.664 4.782 4.120 -0.002 0.000 0.287 740 V C 1.014 177.014 176.094 -0.156 0.000 1.051 740 V CA 0.426 62.636 62.300 -0.150 0.000 1.010 740 V CB 1.412 33.087 31.823 -0.247 0.000 0.988 740 V HN 1.297 nan 8.190 nan 0.000 0.478 741 S N 6.455 122.092 115.700 -0.104 0.000 2.548 741 S HA 0.269 4.738 4.470 -0.002 0.000 0.277 741 S C 0.880 175.424 174.600 -0.094 0.000 1.315 741 S CA -0.592 57.559 58.200 -0.081 0.000 1.050 741 S CB 1.249 64.424 63.200 -0.042 0.000 0.918 741 S HN 0.626 nan 8.310 nan 0.000 0.497 742 L N 3.483 124.657 121.223 -0.082 0.000 1.990 742 L HA -0.102 4.237 4.340 -0.002 0.000 0.213 742 L C 3.015 179.876 176.870 -0.015 0.000 1.072 742 L CA 2.310 57.113 54.840 -0.062 0.000 0.755 742 L CB -1.691 40.349 42.059 -0.032 0.000 0.889 742 L HN 0.906 nan 8.230 nan 0.000 0.432 743 A N -0.698 122.121 122.820 -0.003 0.000 1.927 743 A HA -0.329 3.989 4.320 -0.002 0.000 0.220 743 A C 2.245 179.848 177.584 0.030 0.000 1.185 743 A CA 2.335 54.384 52.037 0.020 0.000 0.639 743 A CB -0.852 18.156 19.000 0.014 0.000 0.820 743 A HN 0.521 nan 8.150 nan 0.000 0.451 744 D N -0.307 120.100 120.400 0.012 0.000 2.269 744 D HA -0.081 4.558 4.640 -0.002 0.000 0.208 744 D C 1.853 178.189 176.300 0.060 0.000 0.963 744 D CA 1.376 55.392 54.000 0.027 0.000 0.864 744 D CB -0.095 40.708 40.800 0.006 0.000 0.936 744 D HN 0.694 nan 8.370 nan 0.000 0.505 745 I N -2.062 118.535 120.570 0.045 0.000 2.852 745 I HA -0.030 4.139 4.170 -0.002 0.000 0.264 745 I C 1.531 177.796 176.117 0.247 0.000 1.179 745 I CA 0.497 61.879 61.300 0.138 0.000 1.480 745 I CB -0.047 37.948 38.000 -0.008 0.000 1.111 745 I HN -0.257 nan 8.210 nan 0.000 0.441 746 N N 1.697 120.493 118.700 0.160 0.000 2.171 746 N HA -0.098 4.641 4.740 -0.002 0.000 0.184 746 N C 2.006 177.595 175.510 0.132 0.000 1.021 746 N CA 1.670 54.815 53.050 0.158 0.000 0.854 746 N CB -0.314 38.239 38.487 0.110 0.000 0.994 746 N HN 0.365 nan 8.380 nan 0.000 0.426 747 S N -0.130 115.631 115.700 0.101 0.000 2.365 747 S HA -0.173 4.296 4.470 -0.002 0.000 0.225 747 S C 2.028 176.666 174.600 0.062 0.000 1.039 747 S CA 1.850 60.095 58.200 0.075 0.000 1.033 747 S CB -0.631 62.606 63.200 0.061 0.000 0.887 747 S HN 0.499 nan 8.310 nan 0.000 0.447 748 T N 1.083 115.693 114.554 0.094 0.000 2.985 748 T HA 0.030 4.379 4.350 -0.002 0.000 0.266 748 T C 1.658 176.304 174.700 -0.089 0.000 1.076 748 T CA 0.806 62.932 62.100 0.044 0.000 1.135 748 T CB -0.238 68.736 68.868 0.177 0.000 0.890 748 T HN 0.151 nan 8.240 nan 0.000 0.480 749 V N 0.964 120.928 119.914 0.084 0.000 2.255 749 V HA -0.090 4.029 4.120 -0.002 0.000 0.243 749 V C 2.847 179.008 176.094 0.112 0.000 1.038 749 V CA 2.036 64.434 62.300 0.163 0.000 1.008 749 V CB -0.883 31.138 31.823 0.330 0.000 0.645 749 V HN 0.446 nan 8.190 nan 0.000 0.449 750 S N 0.319 116.082 115.700 0.105 0.000 2.359 750 S HA -0.211 4.258 4.470 -0.002 0.000 0.222 750 S C 1.877 176.492 174.600 0.026 0.000 1.038 750 S CA 2.155 60.414 58.200 0.099 0.000 1.051 750 S CB -0.453 62.813 63.200 0.109 0.000 0.944 750 S HN 0.487 nan 8.310 nan 0.000 0.433 751 I N 1.519 122.067 120.570 -0.037 0.000 2.286 751 I HA -0.194 3.975 4.170 -0.002 0.000 0.248 751 I C 2.670 178.666 176.117 -0.202 0.000 1.115 751 I CA 1.156 62.416 61.300 -0.067 0.000 1.392 751 I CB -0.564 37.404 38.000 -0.052 0.000 1.065 751 I HN 0.278 nan 8.210 nan 0.000 0.418 752 A N 0.288 122.807 122.820 -0.501 0.000 1.897 752 A HA -0.146 4.173 4.320 -0.002 0.000 0.215 752 A C 1.926 179.030 177.584 -0.801 0.000 1.181 752 A CA 1.086 52.516 52.037 -1.013 0.000 0.620 752 A CB -0.715 16.956 19.000 -2.215 0.000 0.821 752 A HN 0.516 nan 8.150 nan 0.000 0.443 753 W N -0.960 120.147 121.300 -0.323 0.000 2.674 753 W HA 0.272 4.931 4.660 -0.002 0.000 0.298 753 W C 2.042 178.516 176.519 -0.074 0.000 1.115 753 W CA 0.362 57.584 57.345 -0.205 0.000 1.532 753 W CB -0.359 28.967 29.460 -0.223 0.000 1.142 753 W HN 0.310 nan 8.180 nan 0.000 0.528 754 G N 0.584 109.502 108.800 0.197 0.000 3.678 754 G HA2 0.373 4.332 3.960 -0.002 0.000 0.287 754 G HA3 0.373 4.332 3.960 -0.002 0.000 0.287 754 G C -0.115 174.877 174.900 0.154 0.000 1.280 754 G CA 0.023 45.218 45.100 0.158 0.000 1.118 754 G HN 0.059 nan 8.290 nan 0.000 0.563 755 S N -1.489 114.288 115.700 0.128 0.000 3.667 755 S HA -0.141 4.328 4.470 -0.002 0.000 0.749 755 S C 0.154 174.872 174.600 0.197 0.000 1.786 755 S CA 0.719 59.014 58.200 0.158 0.000 1.763 755 S CB -0.610 62.688 63.200 0.164 0.000 0.356 755 S HN 1.044 nan 8.310 nan 0.000 0.963 756 S N 0.431 116.279 115.700 0.246 0.000 2.614 756 S HA 0.510 4.979 4.470 -0.002 0.000 0.275 756 S C -1.331 173.380 174.600 0.184 0.000 1.161 756 S CA -0.607 57.718 58.200 0.209 0.000 0.969 756 S CB 0.996 64.246 63.200 0.084 0.000 1.059 756 S HN 0.824 nan 8.310 nan 0.000 0.482 757 Y N 6.048 126.327 120.300 -0.034 0.000 2.585 757 Y HA 0.373 4.922 4.550 -0.002 0.000 0.354 757 Y C 0.682 176.427 175.900 -0.258 0.000 1.024 757 Y CA 0.143 57.974 58.100 -0.448 0.000 1.321 757 Y CB 0.248 38.513 38.460 -0.324 0.000 1.151 757 Y HN 0.499 nan 8.280 nan 0.000 0.525 758 V N 4.946 124.506 119.914 -0.590 0.000 2.403 758 V HA 0.028 4.147 4.120 -0.002 0.000 0.239 758 V C 0.558 176.370 176.094 -0.471 0.000 1.041 758 V CA 0.629 62.695 62.300 -0.390 0.000 1.051 758 V CB -0.275 31.408 31.823 -0.233 0.000 0.704 758 V HN 0.749 nan 8.190 nan 0.000 0.472 759 N N -0.778 117.605 118.700 -0.529 0.000 2.610 759 N HA 0.269 5.008 4.740 -0.002 0.000 0.264 759 N C -1.904 173.438 175.510 -0.281 0.000 1.348 759 N CA -0.633 52.230 53.050 -0.312 0.000 0.819 759 N CB 2.486 40.913 38.487 -0.101 0.000 1.521 759 N HN 0.110 nan 8.380 nan 0.000 0.497 760 D N 1.104 121.447 120.400 -0.094 0.000 2.175 760 D HA 0.416 5.054 4.640 -0.002 0.000 0.248 760 D C -0.728 175.706 176.300 0.223 0.000 1.047 760 D CA 0.086 54.124 54.000 0.062 0.000 0.883 760 D CB 1.164 41.992 40.800 0.047 0.000 1.180 760 D HN 0.339 nan 8.370 nan 0.000 0.438 761 F N -0.258 119.719 119.950 0.045 0.000 2.691 761 F HA 0.689 5.215 4.527 -0.002 0.000 0.334 761 F C -1.158 174.691 175.800 0.082 0.000 1.107 761 F CA -1.105 56.960 58.000 0.108 0.000 0.991 761 F CB 1.056 40.197 39.000 0.234 0.000 1.400 761 F HN 0.098 nan 8.300 nan 0.000 0.503 762 I N 1.244 121.675 120.570 -0.231 0.000 2.433 762 I HA 0.269 4.437 4.170 -0.002 0.000 0.292 762 I C -1.501 174.390 176.117 -0.377 0.000 1.001 762 I CA -0.522 60.576 61.300 -0.336 0.000 1.119 762 I CB 1.779 39.729 38.000 -0.084 0.000 1.289 762 I HN 0.567 nan 8.210 nan 0.000 0.438 763 D N 6.646 126.817 120.400 -0.381 0.000 2.446 763 D HA 0.271 4.910 4.640 -0.002 0.000 0.251 763 D C -0.204 176.075 176.300 -0.036 0.000 1.137 763 D CA -0.610 53.314 54.000 -0.126 0.000 0.890 763 D CB 0.558 41.306 40.800 -0.085 0.000 1.071 763 D HN 0.494 nan 8.370 nan 0.000 0.528 764 R N 2.501 123.010 120.500 0.014 0.000 2.965 764 R HA -0.169 4.170 4.340 -0.002 0.000 0.245 764 R C 0.878 177.171 176.300 -0.011 0.000 0.861 764 R CA 1.053 57.164 56.100 0.018 0.000 0.614 764 R CB -2.337 27.990 30.300 0.046 0.000 1.229 764 R HN 0.730 nan 8.270 nan 0.000 0.503 765 G N -0.225 108.557 108.800 -0.031 0.000 2.611 765 G HA2 -0.380 3.579 3.960 -0.002 0.000 0.208 765 G HA3 -0.380 3.579 3.960 -0.002 0.000 0.208 765 G C 0.180 175.040 174.900 -0.067 0.000 1.201 765 G CA 0.093 45.168 45.100 -0.042 0.000 0.739 765 G HN 0.746 nan 8.290 nan 0.000 0.528 766 R N 1.413 121.862 120.500 -0.085 0.000 2.490 766 R HA 0.544 4.883 4.340 -0.002 0.000 0.280 766 R C 0.550 176.753 176.300 -0.162 0.000 1.077 766 R CA 0.324 56.359 56.100 -0.108 0.000 1.065 766 R CB 1.137 31.375 30.300 -0.103 0.000 1.003 766 R HN 1.182 nan 8.270 nan 0.000 0.470 767 V N 2.796 122.627 119.914 -0.139 0.000 2.465 767 V HA 0.484 4.603 4.120 -0.002 0.000 0.279 767 V C -0.535 175.455 176.094 -0.173 0.000 1.045 767 V CA -0.112 62.084 62.300 -0.172 0.000 0.938 767 V CB 0.992 32.764 31.823 -0.084 0.000 0.986 767 V HN 0.885 nan 8.190 nan 0.000 0.467 768 K N 4.668 124.888 120.400 -0.300 0.000 1.884 768 K HA 0.717 5.036 4.320 -0.002 0.000 0.250 768 K C -0.821 175.852 176.600 0.121 0.000 1.009 768 K CA -1.175 55.040 56.287 -0.120 0.000 0.925 768 K CB 1.345 33.746 32.500 -0.166 0.000 1.839 768 K HN 0.735 nan 8.250 nan 0.000 0.735 769 R N 0.550 121.268 120.500 0.364 0.000 2.807 769 R HA 0.527 4.866 4.340 -0.002 0.000 0.276 769 R C -1.102 175.370 176.300 0.286 0.000 0.979 769 R CA -1.047 55.272 56.100 0.365 0.000 0.928 769 R CB 1.758 32.320 30.300 0.436 0.000 1.191 769 R HN 0.377 nan 8.270 nan 0.000 0.471 770 V N -0.070 119.803 119.914 -0.068 0.000 2.417 770 V HA 0.537 4.656 4.120 -0.002 0.000 0.291 770 V C -1.396 174.489 176.094 -0.348 0.000 1.024 770 V CA -0.573 61.561 62.300 -0.276 0.000 0.861 770 V CB 0.946 32.559 31.823 -0.351 0.000 0.985 770 V HN 0.685 nan 8.190 nan 0.000 0.436 771 Y N 4.759 124.954 120.300 -0.175 0.000 2.364 771 Y HA 0.617 5.166 4.550 -0.002 0.000 0.340 771 Y C 0.000 175.765 175.900 -0.226 0.000 0.975 771 Y CA -0.597 57.429 58.100 -0.124 0.000 1.089 771 Y CB 2.148 40.576 38.460 -0.054 0.000 1.192 771 Y HN 0.676 nan 8.280 nan 0.000 0.454 772 L N 4.418 125.645 121.223 0.007 0.000 2.295 772 L HA 0.533 4.872 4.340 -0.002 0.000 0.285 772 L C -0.789 176.073 176.870 -0.014 0.000 1.035 772 L CA -0.205 54.601 54.840 -0.057 0.000 0.806 772 L CB 1.428 43.462 42.059 -0.040 0.000 1.214 772 L HN 0.730 nan 8.230 nan 0.000 0.426 773 Q N 1.754 121.532 119.800 -0.037 0.000 2.702 773 Q HA 0.340 4.679 4.340 -0.002 0.000 0.289 773 Q C -0.901 175.224 176.000 0.209 0.000 0.923 773 Q CA -0.688 55.151 55.803 0.060 0.000 0.787 773 Q CB 2.036 30.850 28.738 0.126 0.000 1.476 773 Q HN 0.773 nan 8.270 nan 0.000 0.402 774 G N 1.494 110.398 108.800 0.174 0.000 2.432 774 G HA2 0.338 4.297 3.960 -0.002 0.000 0.257 774 G HA3 0.338 4.297 3.960 -0.002 0.000 0.257 774 G C -0.342 174.811 174.900 0.421 0.000 1.238 774 G CA -0.196 45.120 45.100 0.361 0.000 0.838 774 G HN 0.533 nan 8.290 nan 0.000 0.547 775 R N 2.200 122.909 120.500 0.348 0.000 2.802 775 R HA -0.014 4.325 4.340 -0.002 0.000 0.264 775 R C -1.242 175.045 176.300 -0.021 0.000 0.996 775 R CA -0.556 55.585 56.100 0.067 0.000 1.123 775 R CB 0.533 30.839 30.300 0.011 0.000 0.996 775 R HN 0.323 nan 8.270 nan 0.000 0.444 776 P HA -0.171 nan 4.420 nan 0.000 0.214 776 P C 0.092 177.367 177.300 -0.041 0.000 1.163 776 P CA 1.575 64.578 63.100 -0.162 0.000 0.883 776 P CB 0.024 31.560 31.700 -0.274 0.000 0.788 777 D N -0.783 119.583 120.400 -0.058 0.000 2.392 777 D HA -0.017 4.621 4.640 -0.002 0.000 0.228 777 D C 1.221 177.540 176.300 0.032 0.000 1.003 777 D CA 0.605 54.593 54.000 -0.021 0.000 0.917 777 D CB -0.791 39.981 40.800 -0.047 0.000 0.890 777 D HN 0.121 nan 8.370 nan 0.000 0.532 778 A N 0.734 123.608 122.820 0.091 0.000 2.423 778 A HA 0.276 4.595 4.320 -0.002 0.000 0.246 778 A C 0.541 178.403 177.584 0.464 0.000 1.278 778 A CA -0.607 51.541 52.037 0.185 0.000 0.903 778 A CB -0.252 18.825 19.000 0.128 0.000 0.997 778 A HN 0.306 nan 8.150 nan 0.000 0.510 779 R N -1.984 118.726 120.500 0.351 0.000 3.021 779 R HA 0.380 4.719 4.340 -0.002 0.000 0.206 779 R C -0.750 175.652 176.300 0.169 0.000 1.593 779 R CA -0.307 56.069 56.100 0.461 0.000 1.243 779 R CB -0.471 30.199 30.300 0.618 0.000 1.573 779 R HN 0.096 nan 8.270 nan 0.000 0.640 780 M N 0.095 119.738 119.600 0.071 0.000 2.180 780 M HA 0.241 4.720 4.480 -0.002 0.000 0.289 780 M C -0.581 175.679 176.300 -0.066 0.000 1.089 780 M CA 0.327 55.624 55.300 -0.004 0.000 1.120 780 M CB 0.355 32.954 32.600 -0.001 0.000 1.864 780 M HN 0.380 nan 8.290 nan 0.000 0.636 781 N N -0.009 118.637 118.700 -0.091 0.000 2.284 781 N HA 0.318 5.057 4.740 -0.002 0.000 0.289 781 N C -2.297 173.035 175.510 -0.297 0.000 1.179 781 N CA -1.354 51.598 53.050 -0.164 0.000 0.774 781 N CB 2.028 40.472 38.487 -0.072 0.000 1.548 781 N HN -0.295 nan 8.380 nan 0.000 0.473 782 P HA -0.195 nan 4.420 nan 0.000 0.217 782 P C 0.142 177.260 177.300 -0.303 0.000 1.148 782 P CA 1.376 64.025 63.100 -0.751 0.000 0.834 782 P CB 0.035 31.269 31.700 -0.776 0.000 0.783 783 D N -1.695 118.617 120.400 -0.147 0.000 2.317 783 D HA -0.113 4.526 4.640 -0.002 0.000 0.211 783 D C 0.982 177.287 176.300 0.009 0.000 0.966 783 D CA 0.649 54.622 54.000 -0.044 0.000 0.876 783 D CB -1.171 39.620 40.800 -0.016 0.000 0.927 783 D HN 0.123 nan 8.370 nan 0.000 0.519 784 D N 0.056 120.473 120.400 0.029 0.000 2.264 784 D HA -0.046 4.593 4.640 -0.002 0.000 0.208 784 D C 1.603 178.150 176.300 0.411 0.000 0.966 784 D CA 0.364 54.470 54.000 0.178 0.000 0.864 784 D CB -0.118 40.820 40.800 0.229 0.000 0.933 784 D HN 0.167 nan 8.370 nan 0.000 0.499 785 L N 0.645 122.020 121.223 0.254 0.000 2.201 785 L HA -0.109 4.230 4.340 -0.002 0.000 0.212 785 L C 2.369 179.391 176.870 0.253 0.000 1.105 785 L CA 1.087 56.122 54.840 0.325 0.000 0.775 785 L CB -0.702 41.217 42.059 -0.234 0.000 0.913 785 L HN 0.061 nan 8.230 nan 0.000 0.440 786 S N -0.507 115.272 115.700 0.133 0.000 2.368 786 S HA -0.260 4.209 4.470 -0.002 0.000 0.224 786 S C 2.016 176.630 174.600 0.023 0.000 1.029 786 S CA 0.994 59.237 58.200 0.072 0.000 0.988 786 S CB -0.540 62.666 63.200 0.009 0.000 0.838 786 S HN 0.411 nan 8.310 nan 0.000 0.462 787 K N 0.075 120.502 120.400 0.046 0.000 2.444 787 K HA -0.116 4.203 4.320 -0.002 0.000 0.200 787 K C -0.640 175.869 176.600 -0.152 0.000 1.045 787 K CA 0.617 56.866 56.287 -0.063 0.000 0.934 787 K CB -0.145 32.298 32.500 -0.095 0.000 0.756 787 K HN 0.539 nan 8.250 nan 0.000 0.477 788 W N 0.240 121.548 121.300 0.013 0.000 2.390 788 W HA 0.289 4.948 4.660 -0.002 0.000 0.312 788 W C -0.549 176.045 176.519 0.126 0.000 1.123 788 W CA -0.682 56.718 57.345 0.091 0.000 1.202 788 W CB 0.557 30.021 29.460 0.006 0.000 1.251 788 W HN -0.117 nan 8.180 nan 0.000 0.511 789 Y N 1.504 122.038 120.300 0.391 0.000 2.487 789 Y HA 0.637 5.186 4.550 -0.002 0.000 0.337 789 Y C -0.023 176.076 175.900 0.331 0.000 1.076 789 Y CA -1.294 56.998 58.100 0.320 0.000 1.115 789 Y CB 1.396 39.962 38.460 0.176 0.000 1.235 789 Y HN -0.029 nan 8.280 nan 0.000 0.468 790 V N 2.308 122.478 119.914 0.428 0.000 2.588 790 V HA 0.407 4.526 4.120 -0.002 0.000 0.304 790 V C -0.293 175.918 176.094 0.195 0.000 1.042 790 V CA -1.427 61.042 62.300 0.281 0.000 0.877 790 V CB 1.603 33.545 31.823 0.200 0.000 0.996 790 V HN 0.690 nan 8.190 nan 0.000 0.425 791 R N 4.162 124.749 120.500 0.145 0.000 2.457 791 R HA 0.059 4.398 4.340 -0.002 0.000 0.335 791 R C 0.599 176.932 176.300 0.056 0.000 1.003 791 R CA 0.291 56.449 56.100 0.097 0.000 1.003 791 R CB -0.136 30.210 30.300 0.076 0.000 0.950 791 R HN 0.918 nan 8.270 nan 0.000 0.428 792 N N 1.861 120.593 118.700 0.053 0.000 2.250 792 N HA -0.158 4.581 4.740 -0.002 0.000 0.256 792 N C 0.609 176.119 175.510 0.001 0.000 1.302 792 N CA -0.279 52.781 53.050 0.017 0.000 0.894 792 N CB 0.362 38.868 38.487 0.031 0.000 1.067 792 N HN 0.647 nan 8.380 nan 0.000 0.487 793 D N -0.177 120.215 120.400 -0.012 0.000 2.203 793 D HA -0.133 4.506 4.640 -0.002 0.000 0.199 793 D C -0.349 175.950 176.300 -0.002 0.000 0.997 793 D CA 1.721 55.713 54.000 -0.013 0.000 0.863 793 D CB 0.223 41.014 40.800 -0.015 0.000 0.928 793 D HN 0.185 nan 8.370 nan 0.000 0.458 794 K N -2.373 118.031 120.400 0.006 0.000 2.575 794 K HA 0.385 4.704 4.320 -0.002 0.000 0.271 794 K C 0.322 176.931 176.600 0.015 0.000 1.013 794 K CA 0.327 56.620 56.287 0.010 0.000 0.939 794 K CB 0.962 33.465 32.500 0.006 0.000 1.328 794 K HN 0.078 nan 8.250 nan 0.000 0.450 795 G N 3.515 112.327 108.800 0.019 0.000 3.444 795 G HA2 -0.352 3.607 3.960 -0.002 0.000 0.222 795 G HA3 -0.352 3.607 3.960 -0.002 0.000 0.222 795 G C -0.109 174.807 174.900 0.026 0.000 1.358 795 G CA 0.738 45.850 45.100 0.020 0.000 0.880 795 G HN 0.659 nan 8.290 nan 0.000 0.555 796 E N 1.479 121.697 120.200 0.031 0.000 2.301 796 E HA 0.690 5.039 4.350 -0.002 0.000 0.275 796 E C 0.492 177.134 176.600 0.070 0.000 1.030 796 E CA -0.927 55.497 56.400 0.040 0.000 0.852 796 E CB 0.963 30.686 29.700 0.040 0.000 1.060 796 E HN 0.281 nan 8.360 nan 0.000 0.401 797 M N 2.113 121.764 119.600 0.085 0.000 2.113 797 M HA 0.192 4.671 4.480 -0.002 0.000 0.288 797 M C -0.699 175.750 176.300 0.247 0.000 1.225 797 M CA -0.072 55.333 55.300 0.174 0.000 1.148 797 M CB 0.986 33.661 32.600 0.126 0.000 1.388 797 M HN 0.519 nan 8.290 nan 0.000 0.469 798 V N 1.760 121.899 119.914 0.375 0.000 2.653 798 V HA 0.343 4.462 4.120 -0.002 0.000 0.298 798 V C -2.480 173.777 176.094 0.272 0.000 1.097 798 V CA -1.513 60.980 62.300 0.322 0.000 0.908 798 V CB 1.915 33.882 31.823 0.240 0.000 1.024 798 V HN 0.660 nan 8.190 nan 0.000 0.435 799 P HA 0.211 nan 4.420 nan 0.000 0.269 799 P C 0.567 177.730 177.300 -0.228 0.000 1.215 799 P CA -0.004 62.835 63.100 -0.435 0.000 0.780 799 P CB 0.636 32.135 31.700 -0.335 0.000 0.898 800 F N 1.446 121.142 119.950 -0.424 0.000 2.293 800 F HA -0.197 4.329 4.527 -0.002 0.000 0.300 800 F C 1.768 177.047 175.800 -0.869 0.000 1.086 800 F CA 1.600 59.112 58.000 -0.813 0.000 1.375 800 F CB -0.623 38.165 39.000 -0.354 0.000 1.045 800 F HN 0.348 nan 8.300 nan 0.000 0.516 801 N N 0.495 119.038 118.700 -0.261 0.000 2.069 801 N HA -0.292 4.447 4.740 -0.002 0.000 0.196 801 N C 1.926 177.323 175.510 -0.188 0.000 1.024 801 N CA 1.627 54.577 53.050 -0.168 0.000 0.869 801 N CB -0.637 37.803 38.487 -0.079 0.000 1.035 801 N HN 0.290 nan 8.380 nan 0.000 0.434 802 A N 0.012 122.735 122.820 -0.162 0.000 2.148 802 A HA -0.140 4.179 4.320 -0.002 0.000 0.222 802 A C 1.006 178.693 177.584 0.172 0.000 1.161 802 A CA 1.611 53.686 52.037 0.063 0.000 0.662 802 A CB -0.807 18.341 19.000 0.247 0.000 0.799 802 A HN 0.636 nan 8.150 nan 0.000 0.466 803 F N -5.238 114.678 119.950 -0.057 0.000 3.051 803 F HA 0.670 5.196 4.527 -0.001 0.000 0.341 803 F C 0.076 175.878 175.800 0.003 0.000 1.227 803 F CA -0.504 57.458 58.000 -0.063 0.000 1.030 803 F CB -0.247 38.665 39.000 -0.146 0.000 1.381 803 F HN 0.157 nan 8.300 nan 0.000 0.507 804 A N 1.295 124.009 122.820 -0.176 0.000 2.318 804 A HA 0.780 5.099 4.320 -0.002 0.000 0.317 804 A C -0.384 177.204 177.584 0.008 0.000 1.159 804 A CA -0.481 51.561 52.037 0.009 0.000 0.799 804 A CB 0.759 19.861 19.000 0.169 0.000 1.194 804 A HN 0.221 nan 8.150 nan 0.000 0.479 805 T N 1.362 115.921 114.554 0.008 0.000 2.823 805 T HA 0.587 4.936 4.350 -0.002 0.000 0.279 805 T C 0.418 175.058 174.700 -0.099 0.000 0.998 805 T CA -0.115 61.969 62.100 -0.028 0.000 0.994 805 T CB 1.805 70.657 68.868 -0.026 0.000 0.960 805 T HN 0.918 nan 8.240 nan 0.000 0.448 806 G N 2.268 111.011 108.800 -0.095 0.000 3.161 806 G HA2 0.430 4.389 3.960 -0.002 0.000 0.328 806 G HA3 0.430 4.389 3.960 -0.002 0.000 0.328 806 G C 0.125 174.839 174.900 -0.310 0.000 1.037 806 G CA -0.505 44.454 45.100 -0.234 0.000 1.416 806 G HN 0.486 nan 8.290 nan 0.000 0.486 807 K N 0.724 120.883 120.400 -0.402 0.000 2.136 807 K HA 0.405 4.723 4.320 -0.002 0.000 0.237 807 K C -0.589 175.845 176.600 -0.276 0.000 1.048 807 K CA -0.690 55.455 56.287 -0.237 0.000 0.880 807 K CB 0.490 32.881 32.500 -0.182 0.000 1.105 807 K HN 0.344 nan 8.250 nan 0.000 0.507 808 W N 3.476 124.669 121.300 -0.179 0.000 1.504 808 W HA 0.130 4.788 4.660 -0.002 0.000 0.313 808 W C -0.723 175.758 176.519 -0.063 0.000 0.936 808 W CA -0.596 56.687 57.345 -0.104 0.000 1.471 808 W CB 0.055 29.508 29.460 -0.012 0.000 1.627 808 W HN 0.838 nan 8.180 nan 0.000 0.408 809 E N 1.231 121.555 120.200 0.207 0.000 4.127 809 E HA 0.410 4.759 4.350 -0.002 0.000 0.334 809 E C -0.850 175.938 176.600 0.314 0.000 1.483 809 E CA -0.169 56.331 56.400 0.167 0.000 1.817 809 E CB 1.123 30.880 29.700 0.094 0.000 1.406 809 E HN 0.215 nan 8.360 nan 0.000 0.813 810 Y N -2.399 117.935 120.300 0.057 0.000 2.457 810 Y HA 0.518 5.067 4.550 -0.002 0.000 0.322 810 Y C -1.064 174.831 175.900 -0.007 0.000 1.218 810 Y CA -0.743 57.386 58.100 0.049 0.000 1.116 810 Y CB 0.959 39.456 38.460 0.061 0.000 1.335 810 Y HN 0.708 nan 8.280 nan 0.000 0.452 811 G N 1.582 110.300 108.800 -0.137 0.000 3.257 811 G HA2 0.577 4.536 3.960 -0.002 0.000 0.205 811 G HA3 0.577 4.536 3.960 -0.002 0.000 0.205 811 G C -1.234 173.485 174.900 -0.301 0.000 1.234 811 G CA -0.604 44.333 45.100 -0.272 0.000 0.918 811 G HN 1.088 nan 8.290 nan 0.000 0.602 812 S N -0.374 115.188 115.700 -0.229 0.000 2.537 812 S HA 0.642 5.111 4.470 -0.002 0.000 0.301 812 S C -1.976 172.583 174.600 -0.068 0.000 1.092 812 S CA -1.084 57.044 58.200 -0.120 0.000 1.048 812 S CB 2.643 65.851 63.200 0.013 0.000 1.053 812 S HN 0.208 nan 8.310 nan 0.000 0.501 813 P HA 0.210 nan 4.420 nan 0.000 0.226 813 P C -0.169 177.130 177.300 -0.001 0.000 1.161 813 P CA 0.731 63.818 63.100 -0.021 0.000 0.804 813 P CB 0.240 31.929 31.700 -0.019 0.000 0.829 814 K N 0.523 120.927 120.400 0.007 0.000 2.471 814 K HA 0.379 4.698 4.320 -0.002 0.000 0.252 814 K C -1.738 174.887 176.600 0.042 0.000 0.938 814 K CA -0.859 55.443 56.287 0.025 0.000 0.796 814 K CB 1.445 33.958 32.500 0.022 0.000 1.161 814 K HN -0.173 nan 8.250 nan 0.000 0.425 815 L N 4.755 126.010 121.223 0.053 0.000 2.324 815 L HA 0.327 4.666 4.340 -0.002 0.000 0.274 815 L C -0.621 176.297 176.870 0.080 0.000 1.012 815 L CA -0.224 54.660 54.840 0.072 0.000 0.859 815 L CB 1.216 43.311 42.059 0.060 0.000 1.224 815 L HN 0.533 nan 8.230 nan 0.000 0.429 816 E N 4.539 124.797 120.200 0.095 0.000 2.200 816 E HA 0.472 4.821 4.350 -0.002 0.000 0.283 816 E C -0.561 176.129 176.600 0.150 0.000 1.015 816 E CA -0.558 55.932 56.400 0.150 0.000 0.819 816 E CB 1.380 31.216 29.700 0.226 0.000 1.081 816 E HN 0.386 nan 8.360 nan 0.000 0.397 817 R N 2.163 122.733 120.500 0.117 0.000 2.664 817 R HA 0.365 4.704 4.340 -0.002 0.000 0.286 817 R C -0.700 175.628 176.300 0.048 0.000 0.967 817 R CA -0.639 55.511 56.100 0.084 0.000 0.933 817 R CB 1.241 31.559 30.300 0.031 0.000 1.146 817 R HN 0.549 nan 8.270 nan 0.000 0.468 818 Y N 1.310 121.536 120.300 -0.123 0.000 3.252 818 Y HA 0.203 4.751 4.550 -0.002 0.000 0.369 818 Y C 0.272 176.061 175.900 -0.183 0.000 1.223 818 Y CA -0.424 57.509 58.100 -0.279 0.000 1.036 818 Y CB 0.491 38.754 38.460 -0.329 0.000 1.152 818 Y HN 0.490 nan 8.280 nan 0.000 0.885 819 N N 1.072 119.750 118.700 -0.037 0.000 2.950 819 N HA 0.201 4.940 4.740 -0.002 0.000 0.313 819 N C 0.408 175.889 175.510 -0.047 0.000 1.213 819 N CA 0.698 53.684 53.050 -0.106 0.000 1.184 819 N CB -0.393 38.086 38.487 -0.012 0.000 1.454 819 N HN 0.836 nan 8.380 nan 0.000 0.532 820 G N -0.082 108.679 108.800 -0.064 0.000 4.526 820 G HA2 -0.371 3.588 3.960 -0.002 0.000 0.217 820 G HA3 -0.371 3.588 3.960 -0.002 0.000 0.217 820 G C 0.385 175.282 174.900 -0.004 0.000 1.428 820 G CA 0.195 45.276 45.100 -0.032 0.000 0.928 820 G HN 0.631 nan 8.290 nan 0.000 0.639 821 V N 1.783 121.704 119.914 0.012 0.000 3.061 821 V HA 0.505 4.624 4.120 -0.002 0.000 0.306 821 V C -1.524 174.596 176.094 0.042 0.000 1.118 821 V CA -0.201 62.114 62.300 0.026 0.000 1.231 821 V CB 0.526 32.365 31.823 0.026 0.000 0.956 821 V HN 0.511 nan 8.190 nan 0.000 0.499 822 P HA 0.709 nan 4.420 nan 0.000 0.276 822 P C -0.442 176.890 177.300 0.054 0.000 1.244 822 P CA 0.191 63.322 63.100 0.052 0.000 0.801 822 P CB 1.284 33.011 31.700 0.045 0.000 1.006 823 A N 1.091 123.954 122.820 0.071 0.000 2.438 823 A HA 0.794 5.113 4.320 -0.002 0.000 0.301 823 A C -1.837 175.772 177.584 0.041 0.000 1.101 823 A CA -0.396 51.680 52.037 0.064 0.000 0.621 823 A CB 0.848 19.943 19.000 0.159 0.000 1.350 823 A HN 0.393 nan 8.150 nan 0.000 0.496 824 M N 0.482 120.043 119.600 -0.064 0.000 2.520 824 M HA 0.384 4.863 4.480 -0.002 0.000 0.280 824 M C -1.176 174.791 176.300 -0.555 0.000 1.232 824 M CA -0.166 54.999 55.300 -0.224 0.000 0.892 824 M CB 2.087 34.561 32.600 -0.210 0.000 1.728 824 M HN 0.929 nan 8.290 nan 0.000 0.475 825 E N 2.436 122.173 120.200 -0.771 0.000 2.134 825 E HA 0.533 4.881 4.350 -0.002 0.000 0.278 825 E C -1.598 174.626 176.600 -0.626 0.000 0.959 825 E CA -0.577 55.143 56.400 -1.134 0.000 0.783 825 E CB 1.496 30.356 29.700 -1.400 0.000 1.095 825 E HN 0.529 nan 8.360 nan 0.000 0.399 826 I N 4.718 124.927 120.570 -0.601 0.000 2.433 826 I HA 0.364 4.533 4.170 -0.002 0.000 0.292 826 I C -1.882 173.980 176.117 -0.424 0.000 1.001 826 I CA -0.935 60.113 61.300 -0.420 0.000 1.119 826 I CB 1.253 38.989 38.000 -0.439 0.000 1.289 826 I HN 0.401 nan 8.210 nan 0.000 0.438 827 L N 5.668 126.738 121.223 -0.254 0.000 2.372 827 L HA 1.049 5.388 4.340 -0.002 0.000 0.274 827 L C -0.337 176.548 176.870 0.026 0.000 0.988 827 L CA -0.522 54.165 54.840 -0.254 0.000 0.833 827 L CB 1.216 43.198 42.059 -0.128 0.000 1.236 827 L HN 0.764 nan 8.230 nan 0.000 0.410 828 G N 1.935 110.877 108.800 0.236 0.000 2.666 828 G HA2 0.570 4.529 3.960 -0.002 0.000 0.303 828 G HA3 0.570 4.529 3.960 -0.002 0.000 0.303 828 G C -0.758 174.508 174.900 0.611 0.000 1.412 828 G CA -0.519 44.887 45.100 0.510 0.000 0.979 828 G HN 0.670 nan 8.290 nan 0.000 0.507 829 E N 1.324 121.746 120.200 0.371 0.000 2.435 829 E HA 0.220 4.569 4.350 -0.002 0.000 0.254 829 E C -2.218 174.502 176.600 0.199 0.000 1.289 829 E CA -1.064 55.512 56.400 0.293 0.000 0.983 829 E CB 0.632 30.488 29.700 0.259 0.000 1.010 829 E HN 0.259 nan 8.360 nan 0.000 0.509 830 P HA 0.203 nan 4.420 nan 0.000 0.296 830 P C -1.467 175.873 177.300 0.065 0.000 1.310 830 P CA -0.559 62.583 63.100 0.070 0.000 0.900 830 P CB 1.269 32.998 31.700 0.048 0.000 1.111 831 A N 3.970 126.813 122.820 0.038 0.000 2.540 831 A HA 0.323 4.642 4.320 -0.002 0.000 0.239 831 A C -2.028 175.573 177.584 0.028 0.000 1.061 831 A CA -0.809 51.248 52.037 0.033 0.000 0.758 831 A CB -1.579 17.429 19.000 0.014 0.000 0.991 831 A HN 0.429 nan 8.150 nan 0.000 0.502 832 P HA 0.069 nan 4.420 nan 0.000 0.264 832 P C 1.134 178.437 177.300 0.006 0.000 1.173 832 P CA 2.036 65.149 63.100 0.022 0.000 0.761 832 P CB 0.300 32.012 31.700 0.021 0.000 0.794 833 G N 1.254 110.052 108.800 -0.003 0.000 2.180 833 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.263 833 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.263 833 G C -0.095 174.794 174.900 -0.018 0.000 0.989 833 G CA 0.021 45.111 45.100 -0.016 0.000 0.692 833 G HN 0.452 nan 8.290 nan 0.000 0.526 834 L N 0.252 121.470 121.223 -0.009 0.000 2.331 834 L HA 0.559 4.898 4.340 -0.002 0.000 0.275 834 L C 1.197 178.061 176.870 -0.011 0.000 1.022 834 L CA -0.872 53.959 54.840 -0.014 0.000 0.812 834 L CB 1.627 43.678 42.059 -0.013 0.000 1.257 834 L HN 0.144 nan 8.230 nan 0.000 0.435 835 S N 0.526 116.214 115.700 -0.021 0.000 2.078 835 S HA 0.086 4.555 4.470 -0.002 0.000 0.194 835 S C 0.566 175.155 174.600 -0.019 0.000 1.346 835 S CA -0.204 57.985 58.200 -0.017 0.000 1.309 835 S CB 0.182 63.365 63.200 -0.029 0.000 0.721 835 S HN 0.662 nan 8.310 nan 0.000 0.396 836 S N 0.686 116.364 115.700 -0.037 0.000 2.384 836 S HA 0.369 4.838 4.470 -0.002 0.000 0.227 836 S C 0.996 175.541 174.600 -0.091 0.000 1.257 836 S CA -0.467 57.695 58.200 -0.064 0.000 1.249 836 S CB 0.493 63.655 63.200 -0.062 0.000 1.018 836 S HN 0.697 nan 8.310 nan 0.000 0.478 837 G N 1.372 110.128 108.800 -0.074 0.000 2.551 837 G HA2 -0.082 3.877 3.960 -0.002 0.000 0.216 837 G HA3 -0.082 3.877 3.960 -0.002 0.000 0.216 837 G C 0.728 175.577 174.900 -0.084 0.000 1.137 837 G CA 0.238 45.295 45.100 -0.071 0.000 0.798 837 G HN 0.447 nan 8.290 nan 0.000 0.536 838 D N 1.881 122.218 120.400 -0.105 0.000 2.242 838 D HA -0.221 4.418 4.640 -0.002 0.000 0.193 838 D C 2.724 178.936 176.300 -0.147 0.000 1.005 838 D CA 1.907 55.818 54.000 -0.149 0.000 0.856 838 D CB -0.734 39.927 40.800 -0.231 0.000 1.001 838 D HN 0.270 nan 8.370 nan 0.000 0.452 839 A N 0.080 122.761 122.820 -0.230 0.000 1.899 839 A HA -0.391 3.928 4.320 -0.002 0.000 0.230 839 A C 2.161 179.779 177.584 0.057 0.000 1.593 839 A CA 3.400 55.308 52.037 -0.215 0.000 0.728 839 A CB -0.911 17.784 19.000 -0.508 0.000 0.848 839 A HN 0.311 nan 8.150 nan 0.000 0.490 840 M N -2.310 117.275 119.600 -0.026 0.000 2.508 840 M HA 0.292 4.771 4.480 -0.002 0.000 0.238 840 M C 2.476 178.799 176.300 0.037 0.000 1.210 840 M CA 0.921 56.256 55.300 0.057 0.000 1.231 840 M CB -0.269 32.334 32.600 0.005 0.000 1.201 840 M HN 0.362 nan 8.290 nan 0.000 0.491 841 A N 0.385 123.201 122.820 -0.007 0.000 2.042 841 A HA -0.079 4.240 4.320 -0.002 0.000 0.222 841 A C 1.940 179.511 177.584 -0.022 0.000 1.167 841 A CA 2.379 54.407 52.037 -0.015 0.000 0.649 841 A CB -0.842 18.142 19.000 -0.027 0.000 0.809 841 A HN 0.572 nan 8.150 nan 0.000 0.457 842 A N -1.907 120.897 122.820 -0.028 0.000 2.113 842 A HA 0.410 4.729 4.320 -0.002 0.000 0.211 842 A C 1.755 179.312 177.584 -0.046 0.000 2.359 842 A CA 0.639 52.645 52.037 -0.052 0.000 1.274 842 A CB -0.749 18.206 19.000 -0.075 0.000 1.160 842 A HN 0.385 nan 8.150 nan 0.000 0.585 843 V N 1.127 121.027 119.914 -0.024 0.000 2.428 843 V HA -0.308 3.811 4.120 -0.002 0.000 0.255 843 V C 2.381 178.534 176.094 0.098 0.000 1.080 843 V CA 2.677 65.017 62.300 0.067 0.000 1.083 843 V CB -0.738 31.204 31.823 0.197 0.000 0.665 843 V HN 0.769 nan 8.190 nan 0.000 0.461 844 E N -1.099 119.187 120.200 0.144 0.000 2.299 844 E HA -0.122 4.227 4.350 -0.002 0.000 0.193 844 E C 2.199 178.805 176.600 0.010 0.000 0.998 844 E CA 0.287 56.762 56.400 0.124 0.000 0.851 844 E CB 0.152 30.028 29.700 0.293 0.000 0.795 844 E HN 0.503 nan 8.360 nan 0.000 0.492 845 E N 0.426 120.619 120.200 -0.012 0.000 2.076 845 E HA -0.084 4.265 4.350 -0.002 0.000 0.190 845 E C 2.101 178.649 176.600 -0.087 0.000 0.979 845 E CA 0.479 56.855 56.400 -0.040 0.000 0.807 845 E CB -0.031 29.646 29.700 -0.038 0.000 0.761 845 E HN 0.367 nan 8.360 nan 0.000 0.454 846 I N 0.769 121.252 120.570 -0.145 0.000 2.118 846 I HA -0.295 3.874 4.170 -0.002 0.000 0.241 846 I C 2.337 178.359 176.117 -0.159 0.000 1.070 846 I CA 1.074 62.232 61.300 -0.236 0.000 1.327 846 I CB -0.525 37.164 38.000 -0.519 0.000 1.034 846 I HN -0.070 nan 8.210 nan 0.000 0.405 847 V N 1.333 121.178 119.914 -0.115 0.000 2.828 847 V HA -0.263 3.856 4.120 -0.002 0.000 0.260 847 V C 2.503 178.533 176.094 -0.107 0.000 1.101 847 V CA 1.476 63.706 62.300 -0.117 0.000 1.123 847 V CB -0.955 30.609 31.823 -0.432 0.000 0.704 847 V HN 0.448 nan 8.190 nan 0.000 0.493 848 K N 1.839 122.190 120.400 -0.082 0.000 2.211 848 K HA -0.178 4.141 4.320 -0.002 0.000 0.204 848 K C 1.157 177.738 176.600 -0.031 0.000 1.047 848 K CA 1.453 57.715 56.287 -0.041 0.000 0.935 848 K CB -0.014 32.469 32.500 -0.028 0.000 0.728 848 K HN 0.754 nan 8.250 nan 0.000 0.452 849 Q N 1.309 121.084 119.800 -0.041 0.000 2.788 849 Q HA 0.362 4.701 4.340 -0.002 0.000 0.285 849 Q C -0.771 175.216 176.000 -0.020 0.000 1.063 849 Q CA -0.381 55.404 55.803 -0.029 0.000 0.958 849 Q CB 0.522 29.238 28.738 -0.036 0.000 1.211 849 Q HN 0.048 nan 8.270 nan 0.000 0.478 850 L N 1.254 122.471 121.223 -0.011 0.000 2.309 850 L HA 0.622 4.961 4.340 -0.002 0.000 0.261 850 L C -2.197 174.672 176.870 -0.001 0.000 1.021 850 L CA -2.698 52.142 54.840 -0.001 0.000 0.823 850 L CB 2.081 44.142 42.059 0.003 0.000 1.366 850 L HN 0.325 nan 8.230 nan 0.000 0.423 851 P HA -0.059 nan 4.420 nan 0.000 0.258 851 P C -0.632 176.670 177.300 0.003 0.000 1.172 851 P CA -0.011 63.088 63.100 -0.001 0.000 0.762 851 P CB 0.140 31.838 31.700 -0.004 0.000 0.764 852 K N 3.098 123.501 120.400 0.005 0.000 2.367 852 K HA 0.080 4.399 4.320 -0.002 0.000 0.275 852 K C 1.291 177.897 176.600 0.009 0.000 1.125 852 K CA 1.400 57.692 56.287 0.009 0.000 1.133 852 K CB -0.918 31.587 32.500 0.009 0.000 0.875 852 K HN 0.825 nan 8.250 nan 0.000 0.467 853 G N 1.902 110.709 108.800 0.012 0.000 2.367 853 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.181 853 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.181 853 G C -0.461 174.444 174.900 0.008 0.000 1.000 853 G CA -0.054 45.052 45.100 0.010 0.000 0.693 853 G HN 0.548 nan 8.290 nan 0.000 0.480 854 V N 1.934 121.851 119.914 0.005 0.000 2.347 854 V HA 0.830 4.949 4.120 -0.002 0.000 0.280 854 V C 0.770 176.874 176.094 0.017 0.000 1.021 854 V CA 0.766 63.065 62.300 -0.002 0.000 0.847 854 V CB 0.855 32.665 31.823 -0.021 0.000 0.990 854 V HN 0.940 nan 8.190 nan 0.000 0.444 855 G N 5.627 114.444 108.800 0.029 0.000 2.606 855 G HA2 0.696 4.655 3.960 -0.002 0.000 0.262 855 G HA3 0.696 4.655 3.960 -0.002 0.000 0.262 855 G C -0.994 173.978 174.900 0.120 0.000 1.394 855 G CA -0.147 45.007 45.100 0.091 0.000 1.044 855 G HN 1.291 nan 8.290 nan 0.000 0.553 856 Y N -3.477 116.724 120.300 -0.166 0.000 2.689 856 Y HA 0.756 5.305 4.550 -0.002 0.000 0.333 856 Y C -0.821 174.883 175.900 -0.327 0.000 1.208 856 Y CA -1.207 56.722 58.100 -0.286 0.000 1.055 856 Y CB 1.329 39.578 38.460 -0.352 0.000 1.304 856 Y HN 0.577 nan 8.280 nan 0.000 0.455 857 S N 0.398 115.709 115.700 -0.649 0.000 2.533 857 S HA 0.358 4.827 4.470 -0.002 0.000 0.271 857 S C -1.897 172.365 174.600 -0.563 0.000 1.143 857 S CA -0.843 56.942 58.200 -0.692 0.000 0.891 857 S CB 0.892 63.703 63.200 -0.648 0.000 1.105 857 S HN 0.665 nan 8.310 nan 0.000 0.468 858 W N 1.323 122.528 121.300 -0.159 0.000 2.215 858 W HA 0.682 5.341 4.660 -0.002 0.000 0.342 858 W C 0.841 177.324 176.519 -0.060 0.000 1.237 858 W CA 0.016 57.373 57.345 0.021 0.000 1.283 858 W CB 0.848 30.420 29.460 0.185 0.000 1.131 858 W HN 0.461 nan 8.180 nan 0.000 0.606 859 T N -0.169 114.538 114.554 0.255 0.000 2.769 859 T HA 0.524 4.873 4.350 -0.002 0.000 0.306 859 T C 0.261 175.087 174.700 0.209 0.000 1.400 859 T CA 0.287 62.388 62.100 0.001 0.000 1.007 859 T CB 0.870 69.639 68.868 -0.164 0.000 1.392 859 T HN 1.037 nan 8.240 nan 0.000 0.500 860 G N 1.278 110.229 108.800 0.250 0.000 2.574 860 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.282 860 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.282 860 G C 1.114 176.180 174.900 0.275 0.000 1.257 860 G CA 0.523 45.787 45.100 0.273 0.000 0.956 860 G HN 1.518 nan 8.290 nan 0.000 0.560 861 L N -2.043 119.300 121.223 0.200 0.000 2.349 861 L HA 0.132 4.471 4.340 -0.002 0.000 0.220 861 L C 2.203 179.175 176.870 0.170 0.000 1.130 861 L CA 2.678 57.620 54.840 0.170 0.000 0.791 861 L CB -0.474 41.675 42.059 0.151 0.000 0.918 861 L HN 0.348 nan 8.230 nan 0.000 0.444 862 S N -1.267 114.574 115.700 0.235 0.000 2.524 862 S HA -0.005 4.464 4.470 -0.002 0.000 0.216 862 S C 1.483 176.221 174.600 0.230 0.000 0.987 862 S CA -0.002 58.344 58.200 0.243 0.000 0.909 862 S CB -0.238 63.221 63.200 0.432 0.000 0.781 862 S HN 0.664 nan 8.310 nan 0.000 0.521 863 Y N 3.307 123.709 120.300 0.171 0.000 2.184 863 Y HA -0.071 4.478 4.550 -0.002 0.000 0.290 863 Y C 2.160 178.106 175.900 0.076 0.000 1.129 863 Y CA 1.830 60.036 58.100 0.177 0.000 1.144 863 Y CB -0.342 38.286 38.460 0.280 0.000 0.995 863 Y HN 0.373 nan 8.280 nan 0.000 0.513 864 E N -1.056 119.041 120.200 -0.172 0.000 2.102 864 E HA -0.066 4.283 4.350 -0.002 0.000 0.190 864 E C 1.074 177.520 176.600 -0.257 0.000 0.971 864 E CA 0.689 56.891 56.400 -0.330 0.000 0.821 864 E CB -0.482 29.106 29.700 -0.187 0.000 0.777 864 E HN 0.333 nan 8.360 nan 0.000 0.460 865 E N 1.125 121.215 120.200 -0.183 0.000 2.381 865 E HA -0.014 4.335 4.350 -0.002 0.000 0.198 865 E C 0.040 176.511 176.600 -0.213 0.000 1.204 865 E CA 0.339 56.594 56.400 -0.240 0.000 0.998 865 E CB 0.070 29.665 29.700 -0.175 0.000 1.080 865 E HN 0.075 nan 8.360 nan 0.000 0.481 866 R N -0.451 119.911 120.500 -0.230 0.000 2.429 866 R HA 0.194 4.533 4.340 -0.002 0.000 0.189 866 R C -0.285 175.857 176.300 -0.262 0.000 1.106 866 R CA 0.150 56.104 56.100 -0.243 0.000 1.138 866 R CB -0.782 29.359 30.300 -0.266 0.000 1.323 866 R HN 0.176 nan 8.270 nan 0.000 0.756 867 L N -2.162 118.911 121.223 -0.250 0.000 3.160 867 L HA 0.218 4.556 4.340 -0.002 0.000 0.335 867 L C 0.951 177.698 176.870 -0.206 0.000 1.008 867 L CA 0.424 55.130 54.840 -0.222 0.000 1.459 867 L CB 0.336 42.251 42.059 -0.240 0.000 2.451 867 L HN 0.069 nan 8.230 nan 0.000 0.588 868 S N -0.623 114.925 115.700 -0.252 0.000 2.499 868 S HA 0.355 4.824 4.470 -0.002 0.000 0.225 868 S C 0.624 175.135 174.600 -0.147 0.000 1.050 868 S CA 0.687 58.769 58.200 -0.197 0.000 0.928 868 S CB 1.008 64.066 63.200 -0.236 0.000 0.803 868 S HN 0.365 nan 8.310 nan 0.000 0.506 869 G N 0.629 109.321 108.800 -0.181 0.000 2.701 869 G HA2 0.505 4.464 3.960 -0.002 0.000 0.300 869 G HA3 0.505 4.464 3.960 -0.002 0.000 0.300 869 G C -0.555 174.230 174.900 -0.191 0.000 1.410 869 G CA -0.362 44.640 45.100 -0.164 0.000 1.014 869 G HN 0.283 nan 8.290 nan 0.000 0.509 870 S N 0.420 116.036 115.700 -0.141 0.000 2.565 870 S HA 0.152 4.621 4.470 -0.002 0.000 0.207 870 S C -0.260 174.283 174.600 -0.095 0.000 0.769 870 S CA -0.638 57.480 58.200 -0.137 0.000 0.945 870 S CB -0.369 62.754 63.200 -0.129 0.000 1.653 870 S HN 0.580 nan 8.310 nan 0.000 0.509 871 Q N 0.843 120.590 119.800 -0.088 0.000 2.237 871 Q HA 0.919 5.258 4.340 -0.002 0.000 0.219 871 Q C 0.915 176.832 176.000 -0.140 0.000 0.999 871 Q CA 0.108 55.854 55.803 -0.095 0.000 0.959 871 Q CB 0.982 29.665 28.738 -0.091 0.000 1.173 871 Q HN 0.819 nan 8.270 nan 0.000 0.527 872 A N -1.124 121.562 122.820 -0.223 0.000 3.091 872 A HA 0.051 4.370 4.320 -0.002 0.000 0.187 872 A C -1.613 175.738 177.584 -0.389 0.000 1.645 872 A CA 0.102 51.958 52.037 -0.302 0.000 1.370 872 A CB -1.256 17.664 19.000 -0.132 0.000 1.098 872 A HN 0.614 nan 8.150 nan 0.000 0.374 873 P HA 0.172 nan 4.420 nan 0.000 0.217 873 P C 1.714 179.011 177.300 -0.005 0.000 1.153 873 P CA 2.143 65.241 63.100 -0.004 0.000 0.843 873 P CB -0.111 31.592 31.700 0.005 0.000 0.794 874 A N 0.346 123.159 122.820 -0.013 0.000 1.986 874 A HA -0.202 4.117 4.320 -0.002 0.000 0.220 874 A C 2.058 179.734 177.584 0.153 0.000 1.171 874 A CA 2.041 54.135 52.037 0.096 0.000 0.640 874 A CB -1.665 17.447 19.000 0.187 0.000 0.811 874 A HN 0.251 nan 8.150 nan 0.000 0.451 875 L N -2.015 119.152 121.223 -0.095 0.000 1.988 875 L HA -0.086 4.253 4.340 -0.002 0.000 0.207 875 L C 2.253 179.122 176.870 -0.001 0.000 1.071 875 L CA 1.967 56.760 54.840 -0.079 0.000 0.744 875 L CB -1.673 39.960 42.059 -0.710 0.000 0.893 875 L HN 0.418 nan 8.230 nan 0.000 0.433 876 Y N 0.783 121.064 120.300 -0.032 0.000 2.062 876 Y HA -0.367 4.182 4.550 -0.002 0.000 0.276 876 Y C 2.759 178.671 175.900 0.021 0.000 1.189 876 Y CA 1.538 59.631 58.100 -0.011 0.000 1.130 876 Y CB -0.859 37.589 38.460 -0.020 0.000 0.959 876 Y HN 0.451 nan 8.280 nan 0.000 0.499 877 A N 0.517 123.455 122.820 0.197 0.000 1.849 877 A HA -0.231 4.088 4.320 -0.002 0.000 0.217 877 A C 2.194 179.846 177.584 0.113 0.000 1.202 877 A CA 1.894 54.007 52.037 0.127 0.000 0.629 877 A CB -1.100 17.959 19.000 0.099 0.000 0.834 877 A HN 0.396 nan 8.150 nan 0.000 0.447 878 L N -0.063 121.237 121.223 0.127 0.000 1.971 878 L HA -0.199 4.140 4.340 -0.002 0.000 0.215 878 L C 2.861 179.792 176.870 0.100 0.000 1.072 878 L CA 2.497 57.403 54.840 0.110 0.000 0.758 878 L CB -1.621 40.523 42.059 0.141 0.000 0.889 878 L HN 0.449 nan 8.230 nan 0.000 0.433 879 S N -0.071 115.697 115.700 0.114 0.000 2.368 879 S HA -0.209 4.260 4.470 -0.002 0.000 0.226 879 S C 1.965 176.605 174.600 0.066 0.000 1.044 879 S CA 1.176 59.423 58.200 0.078 0.000 1.062 879 S CB -0.309 62.934 63.200 0.072 0.000 0.931 879 S HN 0.273 nan 8.310 nan 0.000 0.440 880 L N 0.654 121.929 121.223 0.086 0.000 2.017 880 L HA -0.052 4.287 4.340 -0.002 0.000 0.208 880 L C 2.393 179.326 176.870 0.105 0.000 1.073 880 L CA 1.289 56.178 54.840 0.082 0.000 0.745 880 L CB -1.347 40.758 42.059 0.077 0.000 0.894 880 L HN 0.339 nan 8.230 nan 0.000 0.432 881 L N -0.508 120.773 121.223 0.096 0.000 2.127 881 L HA -0.150 4.189 4.340 -0.002 0.000 0.211 881 L C 2.365 179.333 176.870 0.162 0.000 1.089 881 L CA 1.501 56.411 54.840 0.116 0.000 0.757 881 L CB -0.566 41.538 42.059 0.076 0.000 0.899 881 L HN -0.066 nan 8.230 nan 0.000 0.434 882 V N -1.663 118.314 119.914 0.106 0.000 2.346 882 V HA -0.178 3.940 4.120 -0.002 0.000 0.244 882 V C 2.476 178.608 176.094 0.063 0.000 1.037 882 V CA 1.302 63.648 62.300 0.077 0.000 1.029 882 V CB -0.090 31.759 31.823 0.043 0.000 0.663 882 V HN 0.260 nan 8.190 nan 0.000 0.454 883 V N -0.008 119.938 119.914 0.054 0.000 2.453 883 V HA -0.308 3.810 4.120 -0.002 0.000 0.252 883 V C 2.125 178.248 176.094 0.048 0.000 1.068 883 V CA 2.575 64.889 62.300 0.023 0.000 1.070 883 V CB -0.814 31.016 31.823 0.012 0.000 0.664 883 V HN 0.605 nan 8.190 nan 0.000 0.461 884 F N 0.299 120.228 119.950 -0.035 0.000 2.039 884 F HA -0.155 4.371 4.527 -0.002 0.000 0.294 884 F C 2.082 177.865 175.800 -0.027 0.000 1.130 884 F CA 1.636 59.603 58.000 -0.055 0.000 1.189 884 F CB -0.541 38.426 39.000 -0.056 0.000 0.983 884 F HN 0.030 nan 8.300 nan 0.000 0.471 885 L N 0.635 121.853 121.223 -0.008 0.000 2.034 885 L HA -0.331 4.008 4.340 -0.002 0.000 0.217 885 L C 2.743 179.491 176.870 -0.203 0.000 1.077 885 L CA 1.697 56.481 54.840 -0.092 0.000 0.769 885 L CB -1.749 40.368 42.059 0.096 0.000 0.890 885 L HN 0.431 nan 8.230 nan 0.000 0.435 886 C N -1.249 117.963 119.300 -0.145 0.000 2.436 886 C HA -0.167 4.292 4.460 -0.002 0.000 0.277 886 C C 2.810 177.648 174.990 -0.253 0.000 1.241 886 C CA 0.437 59.355 59.018 -0.167 0.000 1.721 886 C CB -0.865 26.806 27.740 -0.116 0.000 2.043 886 C HN 0.471 nan 8.230 nan 0.000 0.472 887 L N 0.842 121.907 121.223 -0.262 0.000 2.191 887 L HA -0.157 4.182 4.340 -0.002 0.000 0.212 887 L C 2.715 179.386 176.870 -0.330 0.000 1.103 887 L CA 1.442 56.111 54.840 -0.286 0.000 0.769 887 L CB -0.676 41.299 42.059 -0.140 0.000 0.908 887 L HN 0.367 nan 8.230 nan 0.000 0.438 888 A N -0.468 122.060 122.820 -0.487 0.000 2.168 888 A HA 0.039 4.358 4.320 -0.002 0.000 0.215 888 A C 2.356 179.663 177.584 -0.461 0.000 1.152 888 A CA 1.379 53.090 52.037 -0.542 0.000 0.716 888 A CB -0.284 18.259 19.000 -0.761 0.000 0.794 888 A HN 0.413 nan 8.150 nan 0.000 0.465 889 A N -0.736 121.859 122.820 -0.375 0.000 1.901 889 A HA 0.231 4.550 4.320 -0.002 0.000 0.210 889 A C 1.916 179.325 177.584 -0.292 0.000 1.208 889 A CA 0.816 52.668 52.037 -0.309 0.000 0.644 889 A CB -0.528 18.327 19.000 -0.242 0.000 0.863 889 A HN 0.354 nan 8.150 nan 0.000 0.454 890 L N -0.875 120.126 121.223 -0.369 0.000 2.089 890 L HA -0.206 4.133 4.340 -0.002 0.000 0.213 890 L C 1.532 178.107 176.870 -0.491 0.000 1.079 890 L CA 2.208 56.751 54.840 -0.495 0.000 0.758 890 L CB -0.999 40.607 42.059 -0.755 0.000 0.891 890 L HN 0.581 nan 8.230 nan 0.000 0.433 891 Y N -1.069 119.129 120.300 -0.169 0.000 2.481 891 Y HA 0.202 4.751 4.550 -0.002 0.000 0.247 891 Y C 1.018 176.819 175.900 -0.166 0.000 1.151 891 Y CA -1.073 56.940 58.100 -0.145 0.000 1.238 891 Y CB 0.112 38.492 38.460 -0.134 0.000 1.179 891 Y HN 0.089 nan 8.280 nan 0.000 0.524 892 E N 1.451 121.581 120.200 -0.118 0.000 2.403 892 E HA -0.207 4.142 4.350 -0.002 0.000 0.241 892 E C -0.447 176.030 176.600 -0.204 0.000 1.201 892 E CA 1.169 57.457 56.400 -0.187 0.000 0.721 892 E CB -1.313 28.316 29.700 -0.119 0.000 1.245 892 E HN 0.455 nan 8.360 nan 0.000 0.392 893 S N -2.682 112.884 115.700 -0.224 0.000 2.546 893 S HA 0.474 4.943 4.470 -0.002 0.000 0.272 893 S C 0.595 175.062 174.600 -0.222 0.000 1.140 893 S CA -0.751 57.331 58.200 -0.197 0.000 0.920 893 S CB 0.740 63.929 63.200 -0.018 0.000 1.083 893 S HN 0.206 nan 8.310 nan 0.000 0.476 894 W N 1.863 123.182 121.300 0.032 0.000 2.425 894 W HA -0.051 4.608 4.660 -0.002 0.000 0.277 894 W C 2.602 179.222 176.519 0.168 0.000 1.231 894 W CA 0.937 58.326 57.345 0.072 0.000 1.248 894 W CB -0.143 29.428 29.460 0.184 0.000 1.117 894 W HN 0.900 nan 8.180 nan 0.000 0.568 895 S N 1.197 117.126 115.700 0.382 0.000 2.309 895 S HA -0.199 4.270 4.470 -0.002 0.000 0.206 895 S C 1.884 176.699 174.600 0.359 0.000 1.028 895 S CA 0.957 59.420 58.200 0.437 0.000 0.972 895 S CB -1.352 62.027 63.200 0.299 0.000 0.961 895 S HN 0.362 nan 8.310 nan 0.000 0.449 896 I N 2.568 123.244 120.570 0.178 0.000 2.300 896 I HA -0.063 4.106 4.170 -0.002 0.000 0.252 896 I C -1.149 174.988 176.117 0.034 0.000 1.119 896 I CA 1.227 62.580 61.300 0.089 0.000 1.384 896 I CB -1.646 36.296 38.000 -0.098 0.000 1.062 896 I HN 0.175 nan 8.210 nan 0.000 0.426 897 P HA -0.234 nan 4.420 nan 0.000 0.220 897 P C 1.531 178.843 177.300 0.021 0.000 1.155 897 P CA 1.947 65.043 63.100 -0.007 0.000 0.880 897 P CB -0.326 31.231 31.700 -0.238 0.000 0.790 898 F N 0.304 120.375 119.950 0.201 0.000 2.161 898 F HA -0.187 4.339 4.527 -0.002 0.000 0.300 898 F C 2.468 178.269 175.800 0.002 0.000 1.089 898 F CA 1.845 59.911 58.000 0.111 0.000 1.282 898 F CB -1.755 37.299 39.000 0.090 0.000 1.010 898 F HN 0.001 nan 8.300 nan 0.000 0.485 899 S N -0.817 115.018 115.700 0.225 0.000 2.528 899 S HA -0.094 4.375 4.470 -0.002 0.000 0.244 899 S C 1.602 176.287 174.600 0.141 0.000 0.982 899 S CA 1.271 59.594 58.200 0.205 0.000 0.953 899 S CB -0.824 62.513 63.200 0.227 0.000 0.754 899 S HN 0.173 nan 8.310 nan 0.000 0.529 900 V N 0.123 120.095 119.914 0.097 0.000 3.013 900 V HA 0.166 4.285 4.120 -0.002 0.000 0.238 900 V C 2.347 178.485 176.094 0.073 0.000 1.161 900 V CA 0.514 62.870 62.300 0.094 0.000 1.170 900 V CB -0.362 31.529 31.823 0.112 0.000 0.917 900 V HN 0.322 nan 8.190 nan 0.000 0.478 901 M N 0.255 119.903 119.600 0.080 0.000 2.144 901 M HA -0.132 4.346 4.480 -0.002 0.000 0.260 901 M C 1.896 178.223 176.300 0.045 0.000 1.067 901 M CA 1.678 57.030 55.300 0.086 0.000 1.095 901 M CB -1.257 31.431 32.600 0.146 0.000 1.365 901 M HN 0.243 nan 8.290 nan 0.000 0.406 902 L N -0.645 120.539 121.223 -0.065 0.000 2.622 902 L HA -0.040 4.299 4.340 -0.002 0.000 0.233 902 L C 2.053 178.921 176.870 -0.003 0.000 1.156 902 L CA 0.612 55.326 54.840 -0.211 0.000 0.866 902 L CB -0.933 40.504 42.059 -1.037 0.000 0.980 902 L HN 0.055 nan 8.230 nan 0.000 0.448 903 V N -2.444 117.515 119.914 0.075 0.000 2.951 903 V HA -0.126 3.993 4.120 -0.002 0.000 0.255 903 V C 2.286 178.445 176.094 0.108 0.000 1.088 903 V CA 0.634 63.028 62.300 0.156 0.000 1.109 903 V CB -0.110 31.797 31.823 0.140 0.000 0.724 903 V HN 0.214 nan 8.190 nan 0.000 0.471 904 V N 0.755 120.712 119.914 0.072 0.000 2.231 904 V HA -0.226 3.893 4.120 -0.002 0.000 0.250 904 V C 0.327 176.431 176.094 0.017 0.000 1.058 904 V CA 2.825 65.146 62.300 0.035 0.000 1.022 904 V CB -1.952 29.886 31.823 0.024 0.000 0.640 904 V HN 0.500 nan 8.190 nan 0.000 0.445 905 P HA -0.184 nan 4.420 nan 0.000 0.215 905 P C 1.811 179.070 177.300 -0.068 0.000 1.163 905 P CA 1.686 64.757 63.100 -0.047 0.000 0.894 905 P CB -0.297 31.340 31.700 -0.106 0.000 0.791 906 L N -3.782 117.426 121.223 -0.026 0.000 2.549 906 L HA 0.101 4.440 4.340 -0.002 0.000 0.230 906 L C 2.150 179.008 176.870 -0.020 0.000 1.162 906 L CA 1.542 56.353 54.840 -0.049 0.000 0.834 906 L CB -1.560 40.485 42.059 -0.023 0.000 0.947 906 L HN -0.037 nan 8.230 nan 0.000 0.452 907 G N -0.079 108.718 108.800 -0.006 0.000 2.576 907 G HA2 0.037 3.996 3.960 -0.002 0.000 0.210 907 G HA3 0.037 3.996 3.960 -0.002 0.000 0.210 907 G C 1.426 176.307 174.900 -0.031 0.000 1.143 907 G CA 0.510 45.609 45.100 -0.002 0.000 0.819 907 G HN 0.125 nan 8.290 nan 0.000 0.534 908 V N 2.764 122.644 119.914 -0.057 0.000 2.233 908 V HA -0.071 4.047 4.120 -0.002 0.000 0.247 908 V C 1.971 178.003 176.094 -0.104 0.000 1.050 908 V CA 1.489 63.734 62.300 -0.091 0.000 1.010 908 V CB -0.781 30.974 31.823 -0.112 0.000 0.637 908 V HN 0.555 nan 8.190 nan 0.000 0.444 909 I N -1.076 119.421 120.570 -0.121 0.000 3.427 909 I HA 0.435 4.603 4.170 -0.002 0.000 0.272 909 I C 1.600 177.687 176.117 -0.049 0.000 1.285 909 I CA 0.500 61.737 61.300 -0.104 0.000 1.300 909 I CB -0.395 37.545 38.000 -0.101 0.000 1.378 909 I HN 0.428 nan 8.210 nan 0.000 0.634 910 G N 1.935 110.717 108.800 -0.029 0.000 2.562 910 G HA2 -0.406 3.553 3.960 -0.002 0.000 0.241 910 G HA3 -0.406 3.553 3.960 -0.002 0.000 0.241 910 G C 1.107 176.022 174.900 0.024 0.000 1.120 910 G CA 1.052 46.151 45.100 -0.001 0.000 0.673 910 G HN 1.396 nan 8.290 nan 0.000 0.519 911 A N 0.211 123.050 122.820 0.032 0.000 1.855 911 A HA 0.500 4.819 4.320 -0.002 0.000 0.213 911 A C 2.500 180.209 177.584 0.208 0.000 1.195 911 A CA 1.796 53.894 52.037 0.101 0.000 0.610 911 A CB -0.401 18.619 19.000 0.033 0.000 0.837 911 A HN 0.738 nan 8.150 nan 0.000 0.444 912 L N -0.256 121.037 121.223 0.117 0.000 2.017 912 L HA -0.191 4.148 4.340 -0.002 0.000 0.208 912 L C 2.624 179.472 176.870 -0.036 0.000 1.073 912 L CA 1.123 55.959 54.840 -0.006 0.000 0.745 912 L CB -0.616 41.316 42.059 -0.212 0.000 0.894 912 L HN 0.387 nan 8.230 nan 0.000 0.432 913 L N -0.372 120.836 121.223 -0.026 0.000 1.990 913 L HA -0.267 4.072 4.340 -0.002 0.000 0.213 913 L C 2.932 179.804 176.870 0.005 0.000 1.072 913 L CA 1.472 56.304 54.840 -0.015 0.000 0.755 913 L CB -0.956 41.099 42.059 -0.006 0.000 0.889 913 L HN 0.279 nan 8.230 nan 0.000 0.432 914 A N 0.315 123.152 122.820 0.028 0.000 1.917 914 A HA -0.256 4.063 4.320 -0.002 0.000 0.219 914 A C 2.349 179.957 177.584 0.040 0.000 1.182 914 A CA 2.633 54.693 52.037 0.038 0.000 0.633 914 A CB -1.087 17.945 19.000 0.052 0.000 0.819 914 A HN 0.584 nan 8.150 nan 0.000 0.448 915 T N -3.802 110.784 114.554 0.053 0.000 3.088 915 T HA 0.086 4.435 4.350 -0.002 0.000 0.259 915 T C 1.831 176.510 174.700 -0.035 0.000 1.122 915 T CA 1.259 63.373 62.100 0.024 0.000 1.095 915 T CB -0.022 68.863 68.868 0.029 0.000 0.930 915 T HN 0.245 nan 8.240 nan 0.000 0.508 916 S N 1.305 116.979 115.700 -0.042 0.000 2.317 916 S HA 0.079 4.548 4.470 -0.002 0.000 0.212 916 S C 2.073 176.659 174.600 -0.024 0.000 1.030 916 S CA 0.916 59.086 58.200 -0.050 0.000 0.970 916 S CB -0.344 62.823 63.200 -0.055 0.000 0.928 916 S HN 0.319 nan 8.310 nan 0.000 0.451 917 M N 1.195 120.789 119.600 -0.010 0.000 4.029 917 M HA -0.209 4.270 4.480 -0.002 0.000 0.292 917 M C 1.200 177.500 176.300 0.000 0.000 1.018 917 M CA 1.526 56.827 55.300 0.001 0.000 1.040 917 M CB -1.450 31.155 32.600 0.009 0.000 1.213 917 M HN 0.219 nan 8.290 nan 0.000 0.652 918 R N 1.578 122.083 120.500 0.007 0.000 2.399 918 R HA 0.228 4.567 4.340 -0.002 0.000 0.324 918 R C 0.142 176.439 176.300 -0.006 0.000 1.030 918 R CA 0.190 56.294 56.100 0.006 0.000 0.984 918 R CB 0.073 30.387 30.300 0.023 0.000 0.961 918 R HN 0.501 nan 8.270 nan 0.000 0.433 919 G N 6.324 115.114 108.800 -0.017 0.000 2.661 919 G HA2 0.105 4.064 3.960 -0.002 0.000 0.292 919 G HA3 0.105 4.064 3.960 -0.002 0.000 0.292 919 G C -0.208 174.672 174.900 -0.033 0.000 0.781 919 G CA -0.330 44.752 45.100 -0.029 0.000 1.860 919 G HN 0.344 nan 8.290 nan 0.000 0.512 920 L N 0.854 122.059 121.223 -0.030 0.000 2.585 920 L HA 0.674 5.013 4.340 -0.002 0.000 0.260 920 L C 0.732 177.571 176.870 -0.051 0.000 1.085 920 L CA -0.505 54.322 54.840 -0.022 0.000 0.913 920 L CB 1.256 43.325 42.059 0.016 0.000 1.638 920 L HN 0.351 nan 8.230 nan 0.000 0.531 921 S N -0.464 115.211 115.700 -0.041 0.000 2.709 921 S HA 0.346 4.815 4.470 -0.002 0.000 0.302 921 S C -0.541 173.971 174.600 -0.146 0.000 1.127 921 S CA -0.550 57.604 58.200 -0.077 0.000 0.905 921 S CB 1.605 64.793 63.200 -0.020 0.000 1.151 921 S HN 0.526 nan 8.310 nan 0.000 0.510 922 N N 2.174 120.770 118.700 -0.174 0.000 3.083 922 N HA 0.252 4.991 4.740 -0.002 0.000 0.260 922 N C -1.251 174.300 175.510 0.068 0.000 1.163 922 N CA -0.407 52.525 53.050 -0.197 0.000 1.060 922 N CB -0.422 37.956 38.487 -0.181 0.000 1.345 922 N HN 0.614 nan 8.380 nan 0.000 0.515 923 D N -0.800 119.702 120.400 0.170 0.000 2.650 923 D HA 0.155 4.794 4.640 -0.002 0.000 0.255 923 D C 1.643 178.057 176.300 0.190 0.000 1.135 923 D CA -0.685 53.413 54.000 0.163 0.000 1.099 923 D CB 0.080 40.960 40.800 0.133 0.000 1.273 923 D HN -0.017 nan 8.370 nan 0.000 0.628 924 V N -2.105 117.825 119.914 0.026 0.000 2.282 924 V HA -0.238 3.881 4.120 -0.002 0.000 0.249 924 V C 1.879 177.944 176.094 -0.049 0.000 1.057 924 V CA 1.376 63.645 62.300 -0.053 0.000 1.032 924 V CB -1.309 30.317 31.823 -0.328 0.000 0.645 924 V HN 0.464 nan 8.190 nan 0.000 0.447 925 F N -0.365 119.651 119.950 0.110 0.000 2.583 925 F HA 0.102 4.627 4.527 -0.002 0.000 0.297 925 F C 1.910 177.784 175.800 0.123 0.000 1.131 925 F CA 1.375 59.426 58.000 0.085 0.000 1.467 925 F CB -0.815 38.251 39.000 0.109 0.000 1.097 925 F HN 0.262 nan 8.300 nan 0.000 0.586 926 F N 0.391 120.446 119.950 0.176 0.000 2.298 926 F HA -0.002 4.524 4.527 -0.002 0.000 0.282 926 F C 2.314 178.216 175.800 0.170 0.000 1.045 926 F CA 0.807 58.903 58.000 0.160 0.000 1.280 926 F CB -0.666 38.433 39.000 0.166 0.000 1.114 926 F HN -0.255 nan 8.300 nan 0.000 0.546 927 Q N 0.469 120.429 119.800 0.266 0.000 2.029 927 Q HA -0.232 4.107 4.340 -0.002 0.000 0.209 927 Q C 2.266 178.281 176.000 0.024 0.000 0.999 927 Q CA 2.820 58.718 55.803 0.158 0.000 0.857 927 Q CB -1.191 27.611 28.738 0.108 0.000 0.926 927 Q HN 0.345 nan 8.270 nan 0.000 0.415 928 V N 0.060 119.964 119.914 -0.017 0.000 2.278 928 V HA -0.316 3.803 4.120 -0.002 0.000 0.251 928 V C 2.053 178.099 176.094 -0.079 0.000 1.062 928 V CA 2.175 64.381 62.300 -0.157 0.000 1.038 928 V CB -1.206 30.314 31.823 -0.505 0.000 0.646 928 V HN 0.650 nan 8.190 nan 0.000 0.447 929 G N -1.332 107.420 108.800 -0.079 0.000 2.408 929 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.217 929 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.217 929 G C 1.567 176.439 174.900 -0.047 0.000 1.150 929 G CA 0.717 45.795 45.100 -0.038 0.000 0.776 929 G HN 0.421 nan 8.290 nan 0.000 0.542 930 L N -0.063 121.056 121.223 -0.174 0.000 1.970 930 L HA -0.061 4.278 4.340 -0.002 0.000 0.212 930 L C 3.004 179.889 176.870 0.025 0.000 1.071 930 L CA 1.217 55.975 54.840 -0.136 0.000 0.751 930 L CB -0.490 41.481 42.059 -0.147 0.000 0.889 930 L HN 0.226 nan 8.230 nan 0.000 0.432 931 L N -0.480 120.803 121.223 0.099 0.000 2.081 931 L HA -0.237 4.102 4.340 -0.002 0.000 0.212 931 L C 2.461 179.413 176.870 0.138 0.000 1.080 931 L CA 1.956 56.845 54.840 0.082 0.000 0.754 931 L CB -0.868 41.258 42.059 0.113 0.000 0.893 931 L HN 0.455 nan 8.230 nan 0.000 0.433 932 T N -5.190 109.615 114.554 0.419 0.000 3.194 932 T HA -0.048 4.301 4.350 -0.002 0.000 0.251 932 T C 1.375 176.237 174.700 0.270 0.000 1.132 932 T CA 1.037 63.459 62.100 0.537 0.000 1.028 932 T CB 0.111 69.334 68.868 0.592 0.000 0.976 932 T HN 0.155 nan 8.240 nan 0.000 0.535 933 T N 0.592 115.253 114.554 0.178 0.000 2.964 933 T HA 0.351 4.700 4.350 -0.002 0.000 0.250 933 T C 1.433 176.173 174.700 0.067 0.000 0.982 933 T CA 0.218 62.413 62.100 0.158 0.000 0.959 933 T CB -0.044 68.912 68.868 0.148 0.000 1.141 933 T HN 0.613 nan 8.240 nan 0.000 0.494 934 I N -1.229 119.355 120.570 0.024 0.000 3.427 934 I HA 0.395 4.564 4.170 -0.002 0.000 0.288 934 I C 2.056 178.150 176.117 -0.038 0.000 1.249 934 I CA 0.553 61.850 61.300 -0.005 0.000 1.421 934 I CB -0.289 37.700 38.000 -0.018 0.000 1.086 934 I HN 0.146 nan 8.210 nan 0.000 0.448 935 G N 2.202 110.959 108.800 -0.073 0.000 2.424 935 G HA2 -0.153 3.806 3.960 -0.002 0.000 0.214 935 G HA3 -0.153 3.806 3.960 -0.002 0.000 0.214 935 G C 1.541 176.398 174.900 -0.071 0.000 1.202 935 G CA 0.602 45.628 45.100 -0.123 0.000 0.793 935 G HN 0.334 nan 8.290 nan 0.000 0.534 936 L N 1.936 123.116 121.223 -0.072 0.000 2.042 936 L HA -0.124 4.214 4.340 -0.002 0.000 0.210 936 L C 2.915 179.741 176.870 -0.074 0.000 1.076 936 L CA 2.839 57.598 54.840 -0.136 0.000 0.749 936 L CB -0.835 41.031 42.059 -0.321 0.000 0.893 936 L HN 0.432 nan 8.230 nan 0.000 0.432 937 S N -0.703 114.983 115.700 -0.024 0.000 2.436 937 S HA 0.021 4.490 4.470 -0.002 0.000 0.228 937 S C 2.133 176.739 174.600 0.009 0.000 1.014 937 S CA 0.579 58.785 58.200 0.009 0.000 0.950 937 S CB -0.330 62.895 63.200 0.042 0.000 0.784 937 S HN 0.454 nan 8.310 nan 0.000 0.504 938 A N 2.687 125.505 122.820 -0.003 0.000 1.969 938 A HA -0.054 4.265 4.320 -0.002 0.000 0.218 938 A C 2.189 179.769 177.584 -0.008 0.000 1.169 938 A CA 1.650 53.689 52.037 0.003 0.000 0.635 938 A CB -0.682 18.310 19.000 -0.014 0.000 0.810 938 A HN 0.666 nan 8.150 nan 0.000 0.445 939 K N -0.128 120.252 120.400 -0.033 0.000 1.985 939 K HA -0.214 4.104 4.320 -0.002 0.000 0.210 939 K C 1.503 178.078 176.600 -0.043 0.000 1.047 939 K CA 1.763 58.023 56.287 -0.046 0.000 0.932 939 K CB -0.348 32.112 32.500 -0.067 0.000 0.716 939 K HN 0.352 nan 8.250 nan 0.000 0.439 940 N N 0.752 119.426 118.700 -0.044 0.000 2.348 940 N HA -0.153 4.585 4.740 -0.002 0.000 0.185 940 N C 1.501 176.992 175.510 -0.033 0.000 1.019 940 N CA 1.254 54.274 53.050 -0.049 0.000 0.880 940 N CB -0.276 38.189 38.487 -0.037 0.000 0.965 940 N HN 0.409 nan 8.380 nan 0.000 0.437 941 A N 1.307 124.129 122.820 0.004 0.000 1.855 941 A HA -0.011 4.308 4.320 -0.002 0.000 0.213 941 A C 2.031 179.628 177.584 0.022 0.000 1.195 941 A CA 0.514 52.569 52.037 0.030 0.000 0.610 941 A CB -0.346 18.697 19.000 0.071 0.000 0.837 941 A HN 0.055 nan 8.150 nan 0.000 0.444 942 I N 0.354 120.954 120.570 0.050 0.000 2.121 942 I HA -0.327 3.842 4.170 -0.002 0.000 0.243 942 I C 2.500 178.654 176.117 0.061 0.000 1.047 942 I CA 1.636 63.005 61.300 0.115 0.000 1.308 942 I CB -1.671 36.350 38.000 0.034 0.000 1.015 942 I HN 0.291 nan 8.210 nan 0.000 0.410 943 L N 0.223 121.418 121.223 -0.047 0.000 2.083 943 L HA -0.199 4.140 4.340 -0.002 0.000 0.209 943 L C 2.617 179.308 176.870 -0.299 0.000 1.083 943 L CA 1.484 56.225 54.840 -0.165 0.000 0.752 943 L CB -0.358 41.567 42.059 -0.224 0.000 0.899 943 L HN 0.356 nan 8.230 nan 0.000 0.433 944 I N -3.444 116.998 120.570 -0.213 0.000 2.480 944 I HA -0.105 4.064 4.170 -0.002 0.000 0.251 944 I C 2.376 178.410 176.117 -0.138 0.000 1.124 944 I CA 0.974 62.150 61.300 -0.206 0.000 1.444 944 I CB -0.204 37.725 38.000 -0.119 0.000 1.098 944 I HN -0.013 nan 8.210 nan 0.000 0.428 945 V N 1.630 121.453 119.914 -0.152 0.000 2.759 945 V HA -0.216 3.903 4.120 -0.002 0.000 0.256 945 V C 2.413 178.319 176.094 -0.314 0.000 1.080 945 V CA 2.349 64.442 62.300 -0.344 0.000 1.101 945 V CB -0.514 31.088 31.823 -0.368 0.000 0.698 945 V HN 0.645 nan 8.190 nan 0.000 0.477 946 E N 0.394 120.591 120.200 -0.006 0.000 2.001 946 E HA -0.158 4.191 4.350 -0.002 0.000 0.193 946 E C 1.859 178.588 176.600 0.216 0.000 0.994 946 E CA 2.019 58.530 56.400 0.185 0.000 0.815 946 E CB -0.687 29.199 29.700 0.310 0.000 0.770 946 E HN 0.498 nan 8.360 nan 0.000 0.453 947 F N 1.174 121.101 119.950 -0.038 0.000 2.111 947 F HA -0.240 4.286 4.527 -0.002 0.000 0.300 947 F C 2.425 178.206 175.800 -0.033 0.000 1.088 947 F CA 1.288 59.274 58.000 -0.023 0.000 1.243 947 F CB -1.556 37.436 39.000 -0.013 0.000 0.996 947 F HN 0.219 nan 8.300 nan 0.000 0.483 948 A N -0.540 122.344 122.820 0.106 0.000 1.892 948 A HA -0.281 4.038 4.320 -0.002 0.000 0.218 948 A C 2.344 179.959 177.584 0.050 0.000 1.188 948 A CA 2.162 54.210 52.037 0.019 0.000 0.631 948 A CB -0.817 18.027 19.000 -0.259 0.000 0.822 948 A HN 0.396 nan 8.150 nan 0.000 0.447 949 K N -0.461 119.871 120.400 -0.113 0.000 2.155 949 K HA -0.109 4.209 4.320 -0.002 0.000 0.203 949 K C 1.880 178.533 176.600 0.088 0.000 1.052 949 K CA 1.278 57.557 56.287 -0.014 0.000 0.948 949 K CB -0.125 32.308 32.500 -0.112 0.000 0.728 949 K HN 0.631 nan 8.250 nan 0.000 0.448 950 E N 0.604 120.846 120.200 0.069 0.000 2.106 950 E HA -0.139 4.210 4.350 -0.002 0.000 0.192 950 E C 1.533 178.178 176.600 0.075 0.000 0.984 950 E CA 0.790 57.220 56.400 0.049 0.000 0.806 950 E CB 0.006 29.690 29.700 -0.027 0.000 0.750 950 E HN 0.320 nan 8.360 nan 0.000 0.458 951 L N 0.992 122.279 121.223 0.105 0.000 2.711 951 L HA -0.064 4.275 4.340 -0.002 0.000 0.242 951 L C 0.573 177.545 176.870 0.169 0.000 1.153 951 L CA 0.282 55.187 54.840 0.110 0.000 0.898 951 L CB -0.461 41.667 42.059 0.115 0.000 1.044 951 L HN 0.068 nan 8.230 nan 0.000 0.437 952 H N 0.133 119.238 119.070 0.058 0.000 2.638 952 H HA 0.129 4.684 4.556 -0.002 0.000 0.232 952 H C 0.853 176.197 175.328 0.027 0.000 1.756 952 H CA -0.081 55.998 56.048 0.051 0.000 1.234 952 H CB -0.018 29.788 29.762 0.073 0.000 1.616 952 H HN 0.327 nan 8.280 nan 0.000 0.510 953 E N 0.069 120.296 120.200 0.046 0.000 2.332 953 E HA -0.084 4.265 4.350 -0.002 0.000 0.257 953 E C 1.671 178.263 176.600 -0.013 0.000 0.786 953 E CA -0.047 56.363 56.400 0.017 0.000 1.380 953 E CB 0.108 29.809 29.700 0.002 0.000 1.300 953 E HN 0.438 nan 8.360 nan 0.000 0.536 954 Q N 0.091 119.876 119.800 -0.026 0.000 2.308 954 Q HA -0.139 4.200 4.340 -0.002 0.000 0.209 954 Q C 0.038 176.003 176.000 -0.059 0.000 0.985 954 Q CA 1.352 57.135 55.803 -0.034 0.000 0.881 954 Q CB 0.081 28.801 28.738 -0.031 0.000 0.917 954 Q HN 0.560 nan 8.270 nan 0.000 0.443 955 G N 0.744 109.484 108.800 -0.101 0.000 2.244 955 G HA2 -0.130 3.829 3.960 -0.002 0.000 0.163 955 G HA3 -0.130 3.829 3.960 -0.002 0.000 0.163 955 G C -0.823 173.935 174.900 -0.237 0.000 1.064 955 G CA -0.447 44.539 45.100 -0.190 0.000 0.757 955 G HN 0.135 nan 8.290 nan 0.000 0.484 956 K N 0.398 120.678 120.400 -0.200 0.000 2.527 956 K HA 0.317 4.636 4.320 -0.002 0.000 0.278 956 K C 1.330 177.793 176.600 -0.229 0.000 0.981 956 K CA 0.608 56.807 56.287 -0.146 0.000 1.009 956 K CB 0.600 33.068 32.500 -0.053 0.000 0.895 956 K HN 0.401 nan 8.250 nan 0.000 0.493 957 G N 2.957 111.689 108.800 -0.113 0.000 2.398 957 G HA2 0.026 3.985 3.960 -0.002 0.000 0.246 957 G HA3 0.026 3.985 3.960 -0.002 0.000 0.246 957 G C 1.416 176.333 174.900 0.029 0.000 1.289 957 G CA -0.546 44.512 45.100 -0.070 0.000 0.869 957 G HN 0.727 nan 8.290 nan 0.000 0.543 958 I N 2.303 122.954 120.570 0.135 0.000 2.182 958 I HA -0.222 3.947 4.170 -0.002 0.000 0.248 958 I C 2.065 178.220 176.117 0.063 0.000 1.073 958 I CA 1.814 63.201 61.300 0.145 0.000 1.335 958 I CB -1.492 36.447 38.000 -0.102 0.000 1.031 958 I HN 0.263 nan 8.210 nan 0.000 0.420 959 V N 1.667 121.589 119.914 0.014 0.000 2.295 959 V HA -0.242 3.877 4.120 -0.002 0.000 0.246 959 V C 2.796 178.900 176.094 0.017 0.000 1.049 959 V CA 2.216 64.515 62.300 -0.001 0.000 1.024 959 V CB -0.666 31.144 31.823 -0.022 0.000 0.648 959 V HN 0.468 nan 8.190 nan 0.000 0.447 960 E N 0.224 120.437 120.200 0.020 0.000 2.038 960 E HA -0.255 4.094 4.350 -0.002 0.000 0.195 960 E C 2.341 178.974 176.600 0.055 0.000 1.000 960 E CA 1.459 57.873 56.400 0.022 0.000 0.803 960 E CB -0.407 29.299 29.700 0.009 0.000 0.750 960 E HN 0.596 nan 8.360 nan 0.000 0.448 961 A N 1.750 124.632 122.820 0.104 0.000 1.873 961 A HA -0.226 4.093 4.320 -0.002 0.000 0.218 961 A C 2.465 180.141 177.584 0.153 0.000 1.193 961 A CA 2.198 54.331 52.037 0.160 0.000 0.629 961 A CB -1.005 18.168 19.000 0.288 0.000 0.826 961 A HN 0.319 nan 8.150 nan 0.000 0.447 962 A N 0.003 122.929 122.820 0.177 0.000 1.873 962 A HA -0.192 4.127 4.320 -0.002 0.000 0.218 962 A C 2.145 179.755 177.584 0.044 0.000 1.193 962 A CA 1.869 53.992 52.037 0.142 0.000 0.629 962 A CB -0.845 18.245 19.000 0.150 0.000 0.826 962 A HN 0.560 nan 8.150 nan 0.000 0.447 963 I N -0.821 119.751 120.570 0.004 0.000 2.163 963 I HA -0.264 3.905 4.170 -0.002 0.000 0.243 963 I C 2.642 178.752 176.117 -0.012 0.000 1.085 963 I CA 1.557 62.826 61.300 -0.051 0.000 1.347 963 I CB -0.523 37.443 38.000 -0.057 0.000 1.044 963 I HN 0.318 nan 8.210 nan 0.000 0.408 964 E N 1.182 121.402 120.200 0.033 0.000 2.021 964 E HA -0.276 4.073 4.350 -0.002 0.000 0.200 964 E C 2.349 179.006 176.600 0.094 0.000 1.015 964 E CA 1.763 58.201 56.400 0.063 0.000 0.824 964 E CB -0.476 29.269 29.700 0.076 0.000 0.762 964 E HN 0.470 nan 8.360 nan 0.000 0.454 965 A N 1.090 123.982 122.820 0.119 0.000 1.881 965 A HA -0.314 4.005 4.320 -0.002 0.000 0.219 965 A C 2.755 180.376 177.584 0.061 0.000 1.215 965 A CA 2.275 54.391 52.037 0.131 0.000 0.648 965 A CB -1.369 17.691 19.000 0.100 0.000 0.832 965 A HN 0.467 nan 8.150 nan 0.000 0.455 966 C N -1.370 117.958 119.300 0.048 0.000 2.401 966 C HA -0.146 4.313 4.460 -0.002 0.000 0.276 966 C C 2.885 177.989 174.990 0.189 0.000 1.233 966 C CA 1.408 60.487 59.018 0.102 0.000 1.753 966 C CB -1.382 26.338 27.740 -0.034 0.000 2.029 966 C HN 0.718 nan 8.230 nan 0.000 0.478 967 R N 0.215 120.778 120.500 0.106 0.000 2.066 967 R HA -0.105 4.234 4.340 -0.002 0.000 0.232 967 R C 2.320 178.678 176.300 0.096 0.000 1.131 967 R CA 1.538 57.704 56.100 0.111 0.000 0.955 967 R CB -0.346 29.989 30.300 0.059 0.000 0.851 967 R HN 0.406 nan 8.270 nan 0.000 0.432 968 M N 0.541 120.199 119.600 0.097 0.000 2.089 968 M HA -0.215 4.264 4.480 -0.002 0.000 0.257 968 M C 2.048 178.371 176.300 0.039 0.000 1.071 968 M CA 1.774 57.142 55.300 0.114 0.000 1.096 968 M CB -0.700 32.047 32.600 0.245 0.000 1.330 968 M HN 0.184 nan 8.290 nan 0.000 0.403 969 R N -0.275 120.201 120.500 -0.039 0.000 2.254 969 R HA 0.133 4.472 4.340 -0.002 0.000 0.195 969 R C 2.157 178.411 176.300 -0.078 0.000 0.957 969 R CA 0.086 56.103 56.100 -0.137 0.000 1.024 969 R CB -0.403 29.745 30.300 -0.254 0.000 0.952 969 R HN 0.382 nan 8.270 nan 0.000 0.484 970 L N 1.793 123.007 121.223 -0.015 0.000 1.997 970 L HA -0.267 4.072 4.340 -0.002 0.000 0.216 970 L C 2.514 179.424 176.870 0.067 0.000 1.074 970 L CA 2.026 56.839 54.840 -0.045 0.000 0.763 970 L CB -0.528 41.505 42.059 -0.043 0.000 0.890 970 L HN 0.161 nan 8.230 nan 0.000 0.434 971 R N -0.225 120.353 120.500 0.130 0.000 2.083 971 R HA -0.154 4.184 4.340 -0.002 0.000 0.237 971 R C -0.379 175.834 176.300 -0.145 0.000 1.137 971 R CA 1.812 57.920 56.100 0.014 0.000 0.951 971 R CB -1.187 29.032 30.300 -0.135 0.000 0.851 971 R HN 0.300 nan 8.270 nan 0.000 0.434 972 P HA -0.187 nan 4.420 nan 0.000 0.210 972 P C 1.421 178.603 177.300 -0.195 0.000 1.185 972 P CA 1.995 64.983 63.100 -0.187 0.000 0.924 972 P CB -0.373 31.238 31.700 -0.148 0.000 0.786 973 I N -2.761 117.722 120.570 -0.144 0.000 2.300 973 I HA -0.208 3.961 4.170 -0.002 0.000 0.252 973 I C 1.922 177.975 176.117 -0.108 0.000 1.119 973 I CA 1.689 62.917 61.300 -0.120 0.000 1.384 973 I CB -1.521 36.416 38.000 -0.106 0.000 1.062 973 I HN -0.165 nan 8.210 nan 0.000 0.426 974 V N 1.307 121.162 119.914 -0.099 0.000 2.255 974 V HA -0.256 3.863 4.120 -0.002 0.000 0.243 974 V C 2.698 178.636 176.094 -0.260 0.000 1.038 974 V CA 2.292 64.566 62.300 -0.044 0.000 1.008 974 V CB -0.388 31.579 31.823 0.240 0.000 0.645 974 V HN 0.490 nan 8.190 nan 0.000 0.449 975 M N -0.594 118.562 119.600 -0.740 0.000 2.159 975 M HA -0.208 4.271 4.480 -0.002 0.000 0.263 975 M C 2.212 178.223 176.300 -0.482 0.000 1.063 975 M CA 2.457 57.021 55.300 -1.228 0.000 1.110 975 M CB -0.380 31.233 32.600 -1.645 0.000 1.374 975 M HN 0.436 nan 8.290 nan 0.000 0.411 976 T N 0.005 114.373 114.554 -0.311 0.000 2.777 976 T HA -0.069 4.280 4.350 -0.002 0.000 0.266 976 T C 1.721 176.389 174.700 -0.055 0.000 1.040 976 T CA 1.951 63.956 62.100 -0.159 0.000 1.141 976 T CB -0.040 68.745 68.868 -0.138 0.000 0.868 976 T HN 0.547 nan 8.240 nan 0.000 0.444 977 S N 0.771 116.449 115.700 -0.037 0.000 2.377 977 S HA 0.189 4.658 4.470 -0.002 0.000 0.223 977 S C 1.913 176.568 174.600 0.092 0.000 1.030 977 S CA 0.364 58.605 58.200 0.067 0.000 0.970 977 S CB -0.335 62.897 63.200 0.053 0.000 0.830 977 S HN 0.363 nan 8.310 nan 0.000 0.473 978 L N 1.125 122.372 121.223 0.040 0.000 2.265 978 L HA -0.107 4.232 4.340 -0.002 0.000 0.215 978 L C 2.403 179.320 176.870 0.079 0.000 1.117 978 L CA 0.962 55.851 54.840 0.082 0.000 0.782 978 L CB -0.369 41.778 42.059 0.146 0.000 0.914 978 L HN 0.355 nan 8.230 nan 0.000 0.441 979 A N -0.739 122.114 122.820 0.054 0.000 1.898 979 A HA -0.224 4.095 4.320 -0.002 0.000 0.214 979 A C 2.028 179.688 177.584 0.126 0.000 1.183 979 A CA 1.123 53.203 52.037 0.071 0.000 0.622 979 A CB -0.715 18.301 19.000 0.026 0.000 0.824 979 A HN 0.440 nan 8.150 nan 0.000 0.444 980 F N 1.611 121.556 119.950 -0.009 0.000 2.084 980 F HA -0.120 4.406 4.527 -0.002 0.000 0.296 980 F C 1.953 177.759 175.800 0.009 0.000 1.111 980 F CA 1.583 59.584 58.000 0.001 0.000 1.224 980 F CB -0.333 38.668 39.000 0.001 0.000 0.991 980 F HN 0.318 nan 8.300 nan 0.000 0.471 981 I N -1.144 119.332 120.570 -0.157 0.000 3.111 981 I HA -0.020 4.148 4.170 -0.002 0.000 0.272 981 I C 1.653 177.675 176.117 -0.159 0.000 1.268 981 I CA 1.105 62.240 61.300 -0.274 0.000 1.467 981 I CB -0.390 37.553 38.000 -0.095 0.000 1.087 981 I HN 0.278 nan 8.210 nan 0.000 0.467 982 L N 0.802 121.983 121.223 -0.071 0.000 2.607 982 L HA 0.386 4.724 4.340 -0.002 0.000 0.228 982 L C 2.010 178.852 176.870 -0.047 0.000 1.123 982 L CA 0.493 55.313 54.840 -0.033 0.000 0.890 982 L CB 0.175 42.252 42.059 0.029 0.000 1.103 982 L HN 0.320 nan 8.230 nan 0.000 0.468 983 G N -1.612 107.136 108.800 -0.086 0.000 2.719 983 G HA2 -0.013 3.946 3.960 -0.002 0.000 0.211 983 G HA3 -0.013 3.946 3.960 -0.002 0.000 0.211 983 G C 1.168 175.990 174.900 -0.131 0.000 1.140 983 G CA 0.459 45.521 45.100 -0.064 0.000 0.790 983 G HN 0.193 nan 8.290 nan 0.000 0.529 984 V N 0.625 120.390 119.914 -0.248 0.000 3.235 984 V HA -0.018 4.101 4.120 -0.002 0.000 0.259 984 V C 2.734 178.711 176.094 -0.194 0.000 1.133 984 V CA 0.382 62.523 62.300 -0.265 0.000 1.128 984 V CB 0.535 32.108 31.823 -0.416 0.000 0.757 984 V HN 0.175 nan 8.190 nan 0.000 0.469 985 V N 1.131 120.954 119.914 -0.152 0.000 2.317 985 V HA -0.214 3.905 4.120 -0.002 0.000 0.251 985 V C 0.128 176.152 176.094 -0.116 0.000 1.065 985 V CA 2.786 65.019 62.300 -0.113 0.000 1.049 985 V CB -1.519 30.262 31.823 -0.069 0.000 0.651 985 V HN 0.527 nan 8.190 nan 0.000 0.450 986 P HA -0.103 nan 4.420 nan 0.000 0.220 986 P C 1.845 179.054 177.300 -0.152 0.000 1.148 986 P CA 1.231 64.269 63.100 -0.102 0.000 0.803 986 P CB -0.040 31.616 31.700 -0.073 0.000 0.782 987 L N -1.273 119.838 121.223 -0.186 0.000 2.141 987 L HA -0.124 4.215 4.340 -0.002 0.000 0.209 987 L C 2.382 179.030 176.870 -0.370 0.000 1.094 987 L CA 1.516 56.197 54.840 -0.265 0.000 0.763 987 L CB -0.884 40.996 42.059 -0.297 0.000 0.908 987 L HN -0.026 nan 8.230 nan 0.000 0.437 988 A N 0.440 123.078 122.820 -0.303 0.000 1.935 988 A HA 0.009 4.328 4.320 -0.002 0.000 0.214 988 A C 1.806 179.186 177.584 -0.340 0.000 1.178 988 A CA 0.682 52.529 52.037 -0.316 0.000 0.640 988 A CB -0.393 18.512 19.000 -0.160 0.000 0.825 988 A HN 0.484 nan 8.150 nan 0.000 0.447 989 I N -1.983 118.464 120.570 -0.206 0.000 3.832 989 I HA 0.282 4.450 4.170 -0.002 0.000 0.324 989 I C 0.380 176.438 176.117 -0.098 0.000 1.447 989 I CA -0.284 60.959 61.300 -0.095 0.000 1.242 989 I CB -0.204 37.771 38.000 -0.042 0.000 1.212 989 I HN 0.085 nan 8.210 nan 0.000 0.415 990 S N 1.999 117.542 115.700 -0.261 0.000 2.601 990 S HA 0.566 5.035 4.470 -0.002 0.000 0.271 990 S C 0.290 174.954 174.600 0.106 0.000 1.305 990 S CA 0.052 58.173 58.200 -0.133 0.000 1.022 990 S CB 0.705 63.760 63.200 -0.242 0.000 0.940 990 S HN 0.623 nan 8.310 nan 0.000 0.525 991 T N 0.720 115.320 114.554 0.077 0.000 2.971 991 T HA 0.778 5.127 4.350 -0.002 0.000 0.304 991 T C 0.152 174.883 174.700 0.052 0.000 1.038 991 T CA -0.074 62.094 62.100 0.113 0.000 1.007 991 T CB 0.909 69.834 68.868 0.096 0.000 1.055 991 T HN 1.467 nan 8.240 nan 0.000 0.451 992 G N 1.348 110.178 108.800 0.051 0.000 2.265 992 G HA2 0.479 4.438 3.960 -0.002 0.000 0.246 992 G HA3 0.479 4.438 3.960 -0.002 0.000 0.246 992 G C -0.295 174.325 174.900 -0.467 0.000 1.299 992 G CA -0.164 44.870 45.100 -0.110 0.000 1.117 992 G HN 1.585 nan 8.290 nan 0.000 0.485 993 A N -0.421 121.802 122.820 -0.995 0.000 2.462 993 A HA 0.637 4.956 4.320 -0.002 0.000 0.243 993 A C 1.991 179.280 177.584 -0.492 0.000 1.076 993 A CA 2.181 53.432 52.037 -1.309 0.000 0.773 993 A CB -0.109 18.211 19.000 -1.133 0.000 1.010 993 A HN 2.918 nan 8.150 nan 0.000 0.493 994 G N 1.316 109.939 108.800 -0.295 0.000 2.220 994 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.269 994 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.269 994 G C 0.581 175.501 174.900 0.033 0.000 0.977 994 G CA 0.582 45.643 45.100 -0.064 0.000 0.634 994 G HN 1.358 nan 8.290 nan 0.000 0.539 995 S N 0.631 116.352 115.700 0.035 0.000 2.515 995 S HA 0.446 4.915 4.470 -0.002 0.000 0.285 995 S C 1.474 176.222 174.600 0.247 0.000 1.265 995 S CA 1.190 59.527 58.200 0.227 0.000 1.079 995 S CB 1.008 64.355 63.200 0.245 0.000 0.877 995 S HN 2.033 nan 8.310 nan 0.000 0.493 996 G N 2.886 111.915 108.800 0.381 0.000 2.796 996 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.198 996 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.198 996 G C 1.224 176.147 174.900 0.040 0.000 1.062 996 G CA 0.197 45.365 45.100 0.115 0.000 0.752 996 G HN 0.581 nan 8.290 nan 0.000 0.487 997 S N 0.729 116.421 115.700 -0.012 0.000 2.357 997 S HA -0.004 4.465 4.470 -0.002 0.000 0.221 997 S C 2.161 176.555 174.600 -0.343 0.000 1.031 997 S CA 1.765 59.782 58.200 -0.306 0.000 0.982 997 S CB -0.270 62.843 63.200 -0.145 0.000 0.853 997 S HN 0.576 nan 8.310 nan 0.000 0.458 998 Q N 0.510 120.245 119.800 -0.108 0.000 2.061 998 Q HA -0.166 4.173 4.340 -0.002 0.000 0.204 998 Q C 2.000 177.798 176.000 -0.337 0.000 0.984 998 Q CA 1.418 57.021 55.803 -0.334 0.000 0.846 998 Q CB -0.413 28.209 28.738 -0.194 0.000 0.902 998 Q HN 0.685 nan 8.270 nan 0.000 0.421 999 H N -0.078 118.887 119.070 -0.175 0.000 2.387 999 H HA -0.090 4.465 4.556 -0.002 0.000 0.299 999 H C 2.127 177.386 175.328 -0.115 0.000 1.099 999 H CA 1.113 57.090 56.048 -0.118 0.000 1.315 999 H CB -0.012 29.714 29.762 -0.060 0.000 1.380 999 H HN 0.317 nan 8.280 nan 0.000 0.513 1000 A N 1.358 124.167 122.820 -0.019 0.000 1.851 1000 A HA -0.173 4.146 4.320 -0.002 0.000 0.216 1000 A C 2.501 180.092 177.584 0.011 0.000 1.195 1000 A CA 1.659 53.703 52.037 0.011 0.000 0.622 1000 A CB -0.766 18.225 19.000 -0.014 0.000 0.831 1000 A HN 0.280 nan 8.150 nan 0.000 0.444 1001 I N -0.193 120.275 120.570 -0.170 0.000 2.113 1001 I HA -0.086 4.083 4.170 -0.002 0.000 0.238 1001 I C 2.431 178.455 176.117 -0.155 0.000 1.070 1001 I CA 1.839 63.044 61.300 -0.157 0.000 1.332 1001 I CB -0.994 36.740 38.000 -0.443 0.000 1.044 1001 I HN 0.270 nan 8.210 nan 0.000 0.402 1002 G N -1.226 107.423 108.800 -0.252 0.000 2.628 1002 G HA2 -0.390 3.569 3.960 -0.002 0.000 0.217 1002 G HA3 -0.390 3.569 3.960 -0.002 0.000 0.217 1002 G C 1.693 176.524 174.900 -0.115 0.000 1.240 1002 G CA 1.645 46.620 45.100 -0.209 0.000 0.792 1002 G HN 0.426 nan 8.290 nan 0.000 0.593 1003 T N 0.520 115.035 114.554 -0.064 0.000 2.624 1003 T HA -0.123 4.226 4.350 -0.002 0.000 0.268 1003 T C 2.444 177.158 174.700 0.024 0.000 1.041 1003 T CA 2.609 64.705 62.100 -0.007 0.000 1.159 1003 T CB -0.939 67.953 68.868 0.041 0.000 0.863 1003 T HN 0.376 nan 8.240 nan 0.000 0.434 1004 G N 0.373 109.217 108.800 0.074 0.000 2.440 1004 G HA2 -0.159 3.800 3.960 -0.002 0.000 0.218 1004 G HA3 -0.159 3.800 3.960 -0.002 0.000 0.218 1004 G C 1.724 176.642 174.900 0.030 0.000 1.154 1004 G CA 1.100 46.271 45.100 0.119 0.000 0.767 1004 G HN 0.494 nan 8.290 nan 0.000 0.552 1005 V N 1.408 121.318 119.914 -0.008 0.000 2.214 1005 V HA -0.223 3.896 4.120 -0.002 0.000 0.247 1005 V C 2.800 178.871 176.094 -0.038 0.000 1.051 1005 V CA 1.929 64.221 62.300 -0.015 0.000 1.003 1005 V CB -0.538 31.254 31.823 -0.052 0.000 0.635 1005 V HN 0.405 nan 8.190 nan 0.000 0.447 1006 I N 0.389 120.904 120.570 -0.092 0.000 2.236 1006 I HA -0.284 3.885 4.170 -0.002 0.000 0.249 1006 I C 2.398 178.500 176.117 -0.024 0.000 1.102 1006 I CA 1.907 63.154 61.300 -0.089 0.000 1.365 1006 I CB -0.895 37.052 38.000 -0.089 0.000 1.051 1006 I HN 0.495 nan 8.210 nan 0.000 0.420 1007 G N -0.009 108.791 108.800 -0.001 0.000 2.396 1007 G HA2 -0.095 3.864 3.960 -0.002 0.000 0.214 1007 G HA3 -0.095 3.864 3.960 -0.002 0.000 0.214 1007 G C 1.599 176.514 174.900 0.026 0.000 1.166 1007 G CA 0.619 45.730 45.100 0.018 0.000 0.793 1007 G HN 0.491 nan 8.290 nan 0.000 0.533 1008 G N -0.237 108.580 108.800 0.028 0.000 2.848 1008 G HA2 0.124 4.083 3.960 -0.002 0.000 0.208 1008 G HA3 0.124 4.083 3.960 -0.002 0.000 0.208 1008 G C 1.473 176.402 174.900 0.049 0.000 1.152 1008 G CA 0.263 45.378 45.100 0.025 0.000 0.789 1008 G HN 0.243 nan 8.290 nan 0.000 0.531 1009 M N -0.401 119.237 119.600 0.063 0.000 2.691 1009 M HA 0.189 4.668 4.480 -0.002 0.000 0.261 1009 M C 2.584 178.931 176.300 0.078 0.000 1.227 1009 M CA 0.445 55.805 55.300 0.099 0.000 1.197 1009 M CB -0.323 32.361 32.600 0.140 0.000 1.294 1009 M HN 0.059 nan 8.290 nan 0.000 0.508 1010 V N 1.279 121.227 119.914 0.056 0.000 2.255 1010 V HA -0.286 3.833 4.120 -0.002 0.000 0.247 1010 V C 2.610 178.741 176.094 0.062 0.000 1.051 1010 V CA 2.605 64.939 62.300 0.057 0.000 1.018 1010 V CB -1.258 30.591 31.823 0.044 0.000 0.641 1010 V HN 0.600 nan 8.190 nan 0.000 0.445 1011 T N -0.898 113.684 114.554 0.047 0.000 2.746 1011 T HA -0.180 4.169 4.350 -0.002 0.000 0.267 1011 T C 1.952 176.683 174.700 0.052 0.000 1.039 1011 T CA 1.543 63.666 62.100 0.039 0.000 1.142 1011 T CB -0.653 68.221 68.868 0.011 0.000 0.866 1011 T HN 0.489 nan 8.240 nan 0.000 0.444 1012 A N 2.096 124.950 122.820 0.056 0.000 1.908 1012 A HA -0.086 4.233 4.320 -0.002 0.000 0.218 1012 A C 2.753 180.392 177.584 0.091 0.000 1.181 1012 A CA 2.682 54.759 52.037 0.067 0.000 0.627 1012 A CB -1.465 17.576 19.000 0.069 0.000 0.818 1012 A HN 0.774 nan 8.150 nan 0.000 0.445 1013 T N -2.066 112.543 114.554 0.092 0.000 2.781 1013 T HA -0.089 4.260 4.350 -0.002 0.000 0.252 1013 T C 1.841 176.616 174.700 0.124 0.000 1.039 1013 T CA 2.109 64.263 62.100 0.090 0.000 1.147 1013 T CB -1.318 67.589 68.868 0.066 0.000 0.865 1013 T HN 0.835 nan 8.240 nan 0.000 0.423 1014 V N 0.980 120.978 119.914 0.141 0.000 2.568 1014 V HA -0.020 4.099 4.120 -0.002 0.000 0.253 1014 V C 2.513 178.838 176.094 0.384 0.000 1.072 1014 V CA 1.582 64.017 62.300 0.226 0.000 1.084 1014 V CB -1.303 30.640 31.823 0.199 0.000 0.676 1014 V HN 0.520 nan 8.190 nan 0.000 0.469 1015 L N 0.371 121.764 121.223 0.282 0.000 2.068 1015 L HA 0.121 4.460 4.340 -0.002 0.000 0.204 1015 L C 3.093 180.251 176.870 0.480 0.000 1.076 1015 L CA 1.355 56.390 54.840 0.326 0.000 0.753 1015 L CB -1.046 41.020 42.059 0.011 0.000 0.910 1015 L HN 0.388 nan 8.230 nan 0.000 0.439 1016 A N 1.430 124.435 122.820 0.308 0.000 1.908 1016 A HA -0.234 4.085 4.320 -0.002 0.000 0.218 1016 A C 2.212 179.977 177.584 0.303 0.000 1.181 1016 A CA 2.044 54.266 52.037 0.309 0.000 0.627 1016 A CB -0.895 18.222 19.000 0.195 0.000 0.818 1016 A HN 0.559 nan 8.150 nan 0.000 0.445 1017 I N -4.365 116.330 120.570 0.208 0.000 2.335 1017 I HA -0.225 3.944 4.170 -0.002 0.000 0.251 1017 I C 2.195 178.390 176.117 0.130 0.000 1.129 1017 I CA 1.872 63.220 61.300 0.081 0.000 1.402 1017 I CB -0.539 37.326 38.000 -0.226 0.000 1.069 1017 I HN 0.192 nan 8.210 nan 0.000 0.424 1018 F N 0.012 120.170 119.950 0.347 0.000 2.262 1018 F HA 0.070 4.596 4.527 -0.002 0.000 0.292 1018 F C 1.870 177.646 175.800 -0.039 0.000 1.081 1018 F CA 0.984 59.070 58.000 0.143 0.000 1.355 1018 F CB -0.435 38.629 39.000 0.106 0.000 1.069 1018 F HN 0.021 nan 8.300 nan 0.000 0.506 1019 W N -0.723 120.665 121.300 0.148 0.000 2.737 1019 W HA 0.110 4.769 4.660 -0.002 0.000 0.262 1019 W C 2.098 178.509 176.519 -0.180 0.000 1.282 1019 W CA 0.243 57.534 57.345 -0.090 0.000 1.386 1019 W CB -1.100 28.376 29.460 0.027 0.000 1.099 1019 W HN -0.287 nan 8.180 nan 0.000 0.621 1020 V N 1.986 122.072 119.914 0.287 0.000 2.255 1020 V HA -0.256 3.863 4.120 -0.002 0.000 0.247 1020 V C -0.245 175.945 176.094 0.161 0.000 1.051 1020 V CA 2.034 64.511 62.300 0.295 0.000 1.018 1020 V CB -2.115 29.839 31.823 0.219 0.000 0.641 1020 V HN -0.060 nan 8.190 nan 0.000 0.445 1021 P HA -0.190 nan 4.420 nan 0.000 0.216 1021 P C 2.034 179.328 177.300 -0.010 0.000 1.154 1021 P CA 1.552 64.678 63.100 0.044 0.000 0.865 1021 P CB -0.089 31.583 31.700 -0.047 0.000 0.789 1022 L N -2.402 118.713 121.223 -0.180 0.000 2.013 1022 L HA -0.221 4.118 4.340 -0.002 0.000 0.212 1022 L C 2.358 179.103 176.870 -0.208 0.000 1.073 1022 L CA 1.793 56.442 54.840 -0.318 0.000 0.753 1022 L CB -0.750 40.945 42.059 -0.608 0.000 0.890 1022 L HN -0.052 nan 8.230 nan 0.000 0.432 1023 F N -1.698 118.286 119.950 0.057 0.000 2.234 1023 F HA -0.230 4.296 4.527 -0.002 0.000 0.299 1023 F C 2.288 178.158 175.800 0.117 0.000 1.087 1023 F CA 0.754 58.791 58.000 0.062 0.000 1.340 1023 F CB -1.080 37.961 39.000 0.068 0.000 1.031 1023 F HN 0.058 nan 8.300 nan 0.000 0.500 1024 Y N 0.348 120.728 120.300 0.134 0.000 2.651 1024 Y HA 0.010 4.559 4.550 -0.002 0.000 0.296 1024 Y C 0.262 176.176 175.900 0.023 0.000 1.150 1024 Y CA -0.138 57.991 58.100 0.049 0.000 1.348 1024 Y CB 0.159 38.620 38.460 0.002 0.000 0.983 1024 Y HN -0.190 nan 8.280 nan 0.000 0.555 1025 V N 0.000 119.893 119.914 -0.035 0.000 2.409 1025 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 1025 V CA 0.000 62.224 62.300 -0.126 0.000 1.235 1025 V CB 0.000 31.744 31.823 -0.132 0.000 1.184 1025 V HN 0.000 nan 8.190 nan 0.000 0.556