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_B 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 LKVNPDGSQV RLKDVADVGL 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 ALCATMLKPI DATA SEQUENCE EKGDHGEHKG GFFGWFNRMF LSTTHGYERG VASILKHRAP YLLIYVVIVA DATA SEQUENCE GMIWMFTRIP TAFLPDEDQG VLFAQVQTPP GSSAERTQVV VDSMREYLLE DATA SEQUENCE KESSSVSSVF TVTGFNFAGR GQSSGMAFIM LKPWEERPGG ENSVFELAKR DATA SEQUENCE AQMHFFSFKD AMVFAFAPPS VLELGNATGF 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 PLFYVAVSTL 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 0.000 176.484 176.300 0.306 0.000 1.140 1 M CA 0.000 55.371 55.300 0.119 0.000 0.988 1 M CB 0.000 32.671 32.600 0.118 0.000 1.302 2 S N 0.944 116.775 115.700 0.218 0.000 2.371 2 S HA -0.011 4.460 4.470 0.001 0.000 0.224 2 S C 1.498 176.214 174.600 0.194 0.000 1.029 2 S CA 1.203 59.542 58.200 0.231 0.000 0.978 2 S CB -0.565 62.693 63.200 0.097 0.000 0.833 2 S HN 0.520 nan 8.310 nan 0.000 0.466 3 K N 0.498 120.973 120.400 0.124 0.000 2.281 3 K HA -0.035 4.286 4.320 0.001 0.000 0.203 3 K C 1.722 178.370 176.600 0.080 0.000 1.046 3 K CA 1.271 57.605 56.287 0.079 0.000 0.938 3 K CB -0.342 32.188 32.500 0.050 0.000 0.737 3 K HN 0.492 nan 8.250 nan 0.000 0.458 4 F N 0.423 120.340 119.950 -0.055 0.000 2.128 4 F HA -0.122 4.406 4.527 0.001 0.000 0.295 4 F C 1.585 177.250 175.800 -0.225 0.000 1.100 4 F CA 1.323 59.211 58.000 -0.188 0.000 1.260 4 F CB -0.122 38.666 39.000 -0.355 0.000 1.009 4 F HN -0.156 nan 8.300 nan 0.000 0.476 5 F N 0.422 120.425 119.950 0.088 0.000 2.367 5 F HA 0.004 4.532 4.527 0.001 0.000 0.298 5 F C 2.235 177.977 175.800 -0.097 0.000 1.094 5 F CA 0.764 58.733 58.000 -0.052 0.000 1.409 5 F CB -0.719 38.290 39.000 0.014 0.000 1.064 5 F HN -0.066 nan 8.300 nan 0.000 0.528 6 I N 0.147 120.776 120.570 0.099 0.000 2.236 6 I HA -0.329 3.842 4.170 0.001 0.000 0.249 6 I C 1.378 177.489 176.117 -0.011 0.000 1.102 6 I CA 1.543 62.864 61.300 0.034 0.000 1.365 6 I CB -0.349 37.665 38.000 0.025 0.000 1.051 6 I HN 0.103 nan 8.210 nan 0.000 0.420 7 D N 0.900 121.253 120.400 -0.078 0.000 2.328 7 D HA 0.058 4.698 4.640 0.001 0.000 0.226 7 D C 0.468 176.698 176.300 -0.117 0.000 1.066 7 D CA 0.414 54.354 54.000 -0.100 0.000 0.861 7 D CB 0.214 40.933 40.800 -0.134 0.000 0.912 7 D HN 0.431 nan 8.370 nan 0.000 0.521 8 R N 0.211 120.653 120.500 -0.097 0.000 2.701 8 R HA 0.209 4.550 4.340 0.001 0.000 0.281 8 R C -2.130 174.259 176.300 0.149 0.000 1.367 8 R CA -1.192 54.900 56.100 -0.013 0.000 1.510 8 R CB 1.001 31.221 30.300 -0.132 0.000 1.306 8 R HN -0.114 nan 8.270 nan 0.000 0.682 9 P HA -0.136 nan 4.420 nan 0.000 0.216 9 P C 1.204 178.695 177.300 0.317 0.000 1.150 9 P CA 1.123 64.326 63.100 0.173 0.000 0.837 9 P CB 0.231 32.037 31.700 0.178 0.000 0.786 10 I N -2.018 118.743 120.570 0.318 0.000 2.179 10 I HA -0.241 3.930 4.170 0.001 0.000 0.242 10 I C 2.302 178.673 176.117 0.425 0.000 1.088 10 I CA 1.189 62.701 61.300 0.354 0.000 1.357 10 I CB -0.643 37.484 38.000 0.211 0.000 1.051 10 I HN -0.103 nan 8.210 nan 0.000 0.409 11 F N 2.250 122.322 119.950 0.205 0.000 2.095 11 F HA -0.241 4.286 4.527 0.001 0.000 0.298 11 F C 2.535 178.507 175.800 0.286 0.000 1.104 11 F CA 1.344 59.493 58.000 0.248 0.000 1.232 11 F CB -0.973 38.186 39.000 0.264 0.000 0.987 11 F HN 0.043 nan 8.300 nan 0.000 0.475 12 A N -0.596 122.420 122.820 0.325 0.000 1.917 12 A HA -0.273 4.048 4.320 0.001 0.000 0.219 12 A C 2.298 179.868 177.584 -0.023 0.000 1.182 12 A CA 1.816 53.849 52.037 -0.007 0.000 0.633 12 A CB -1.796 17.167 19.000 -0.062 0.000 0.819 12 A HN 0.608 nan 8.150 nan 0.000 0.448 13 W N -1.031 120.317 121.300 0.081 0.000 2.381 13 W HA -0.105 4.556 4.660 0.001 0.000 0.301 13 W C 2.406 178.971 176.519 0.077 0.000 1.205 13 W CA 1.251 58.633 57.345 0.061 0.000 1.285 13 W CB -0.363 29.139 29.460 0.070 0.000 1.133 13 W HN 0.152 nan 8.180 nan 0.000 0.521 14 V N 0.674 120.829 119.914 0.402 0.000 2.407 14 V HA -0.289 3.831 4.120 0.001 0.000 0.248 14 V C 1.786 178.024 176.094 0.239 0.000 1.055 14 V CA 1.735 64.222 62.300 0.311 0.000 1.049 14 V CB -0.465 31.563 31.823 0.341 0.000 0.662 14 V HN 0.150 nan 8.190 nan 0.000 0.455 15 I N -0.059 120.623 120.570 0.187 0.000 2.252 15 I HA -0.172 3.998 4.170 0.001 0.000 0.245 15 I C 2.582 178.717 176.117 0.029 0.000 1.102 15 I CA 1.367 62.706 61.300 0.064 0.000 1.385 15 I CB -0.560 37.371 38.000 -0.114 0.000 1.064 15 I HN 0.322 nan 8.210 nan 0.000 0.414 16 A N 0.435 123.267 122.820 0.020 0.000 2.015 16 A HA -0.167 4.153 4.320 0.001 0.000 0.219 16 A C 2.181 179.833 177.584 0.113 0.000 1.163 16 A CA 1.241 53.293 52.037 0.025 0.000 0.646 16 A CB -0.494 18.489 19.000 -0.029 0.000 0.806 16 A HN 0.321 nan 8.150 nan 0.000 0.448 17 L N -0.505 120.821 121.223 0.172 0.000 2.044 17 L HA -0.036 4.304 4.340 0.001 0.000 0.205 17 L C 2.528 179.463 176.870 0.108 0.000 1.075 17 L CA 1.510 56.447 54.840 0.162 0.000 0.747 17 L CB -0.790 41.374 42.059 0.176 0.000 0.903 17 L HN 0.182 nan 8.230 nan 0.000 0.435 18 V N 0.859 120.834 119.914 0.102 0.000 2.261 18 V HA -0.292 3.828 4.120 0.001 0.000 0.246 18 V C 2.553 178.685 176.094 0.064 0.000 1.047 18 V CA 1.959 64.307 62.300 0.080 0.000 1.015 18 V CB -0.609 31.265 31.823 0.086 0.000 0.642 18 V HN 0.577 nan 8.190 nan 0.000 0.446 19 I N -2.000 118.602 120.570 0.054 0.000 2.530 19 I HA -0.307 3.864 4.170 0.001 0.000 0.257 19 I C 2.262 178.412 176.117 0.055 0.000 1.179 19 I CA 2.051 63.377 61.300 0.042 0.000 1.440 19 I CB -0.404 37.606 38.000 0.017 0.000 1.087 19 I HN 0.338 nan 8.210 nan 0.000 0.440 20 M N 0.513 120.151 119.600 0.065 0.000 2.115 20 M HA -0.077 4.404 4.480 0.001 0.000 0.261 20 M C 2.218 178.554 176.300 0.061 0.000 1.079 20 M CA 1.437 56.779 55.300 0.070 0.000 1.143 20 M CB 0.012 32.662 32.600 0.084 0.000 1.332 20 M HN 0.234 nan 8.290 nan 0.000 0.421 21 L N 0.400 121.657 121.223 0.057 0.000 1.990 21 L HA -0.222 4.119 4.340 0.001 0.000 0.213 21 L C 2.744 179.639 176.870 0.041 0.000 1.072 21 L CA 2.217 57.084 54.840 0.044 0.000 0.755 21 L CB -1.791 40.294 42.059 0.043 0.000 0.889 21 L HN 0.417 nan 8.230 nan 0.000 0.432 22 A N 0.106 122.954 122.820 0.047 0.000 1.870 22 A HA -0.257 4.064 4.320 0.001 0.000 0.219 22 A C 2.416 180.034 177.584 0.056 0.000 1.224 22 A CA 2.420 54.486 52.037 0.048 0.000 0.650 22 A CB -1.495 17.535 19.000 0.051 0.000 0.836 22 A HN 0.465 nan 8.150 nan 0.000 0.454 23 G N -1.123 107.722 108.800 0.075 0.000 2.513 23 G HA2 -0.077 3.883 3.960 0.001 0.000 0.219 23 G HA3 -0.077 3.883 3.960 0.001 0.000 0.219 23 G C 1.613 176.546 174.900 0.054 0.000 1.160 23 G CA 1.564 46.729 45.100 0.107 0.000 0.767 23 G HN 0.925 nan 8.290 nan 0.000 0.571 24 G N 0.735 109.555 108.800 0.033 0.000 2.446 24 G HA2 -0.175 3.786 3.960 0.001 0.000 0.217 24 G HA3 -0.175 3.786 3.960 0.001 0.000 0.217 24 G C 1.840 176.727 174.900 -0.022 0.000 1.168 24 G CA 0.915 46.011 45.100 -0.007 0.000 0.771 24 G HN 0.435 nan 8.290 nan 0.000 0.551 25 L N 1.338 122.561 121.223 -0.000 0.000 2.027 25 L HA -0.107 4.234 4.340 0.001 0.000 0.206 25 L C 3.377 180.242 176.870 -0.008 0.000 1.074 25 L CA 1.570 56.408 54.840 -0.004 0.000 0.745 25 L CB -0.624 41.441 42.059 0.009 0.000 0.898 25 L HN 0.413 nan 8.230 nan 0.000 0.433 26 S N 0.983 116.690 115.700 0.011 0.000 2.400 26 S HA -0.215 4.255 4.470 0.001 0.000 0.232 26 S C 1.921 176.512 174.600 -0.015 0.000 1.025 26 S CA 1.505 59.719 58.200 0.024 0.000 0.993 26 S CB -1.033 62.210 63.200 0.071 0.000 0.808 26 S HN 0.593 nan 8.310 nan 0.000 0.478 27 I N -0.338 120.178 120.570 -0.090 0.000 2.567 27 I HA -0.075 4.096 4.170 0.001 0.000 0.257 27 I C 2.061 178.089 176.117 -0.148 0.000 1.184 27 I CA 0.830 61.993 61.300 -0.227 0.000 1.451 27 I CB -0.725 37.010 38.000 -0.442 0.000 1.089 27 I HN 0.218 nan 8.210 nan 0.000 0.441 28 L N 0.933 122.104 121.223 -0.088 0.000 1.909 28 L HA -0.165 4.175 4.340 0.001 0.000 0.216 28 L C 2.895 179.742 176.870 -0.038 0.000 1.097 28 L CA 1.669 56.473 54.840 -0.060 0.000 0.777 28 L CB -1.209 40.827 42.059 -0.039 0.000 0.887 28 L HN 0.309 nan 8.230 nan 0.000 0.432 29 S N -0.064 115.625 115.700 -0.018 0.000 2.414 29 S HA -0.242 4.229 4.470 0.001 0.000 0.241 29 S C 1.047 175.650 174.600 0.005 0.000 1.079 29 S CA 0.963 59.162 58.200 -0.002 0.000 1.087 29 S CB -0.775 62.430 63.200 0.008 0.000 0.927 29 S HN 0.178 nan 8.310 nan 0.000 0.456 30 L N 3.414 124.642 121.223 0.007 0.000 2.628 30 L HA 0.073 4.414 4.340 0.001 0.000 0.274 30 L C -1.771 175.111 176.870 0.020 0.000 1.209 30 L CA -1.217 53.642 54.840 0.031 0.000 0.930 30 L CB 0.034 42.122 42.059 0.047 0.000 1.183 30 L HN 0.307 nan 8.230 nan 0.000 0.492 31 P HA 0.007 nan 4.420 nan 0.000 0.269 31 P C -0.940 176.376 177.300 0.026 0.000 1.211 31 P CA -0.063 63.052 63.100 0.025 0.000 0.781 31 P CB 0.869 32.587 31.700 0.029 0.000 0.877 32 V N 3.343 123.266 119.914 0.016 0.000 2.623 32 V HA 0.472 4.593 4.120 0.001 0.000 0.304 32 V C 0.115 176.215 176.094 0.010 0.000 1.054 32 V CA -0.496 61.811 62.300 0.013 0.000 0.882 32 V CB 1.515 33.335 31.823 -0.005 0.000 1.002 32 V HN 0.839 nan 8.190 nan 0.000 0.424 33 N N 3.305 122.011 118.700 0.009 0.000 3.116 33 N HA 0.176 4.917 4.740 0.001 0.000 0.244 33 N C 0.348 175.835 175.510 -0.037 0.000 1.485 33 N CA -0.635 52.414 53.050 -0.003 0.000 0.884 33 N CB 2.339 40.834 38.487 0.013 0.000 1.415 33 N HN 0.552 nan 8.380 nan 0.000 0.524 34 Q N -0.688 119.053 119.800 -0.098 0.000 2.137 34 Q HA 0.068 4.409 4.340 0.001 0.000 0.198 34 Q C -0.580 175.159 176.000 -0.436 0.000 0.960 34 Q CA 1.104 56.726 55.803 -0.302 0.000 0.847 34 Q CB 0.012 28.497 28.738 -0.423 0.000 0.915 34 Q HN 0.558 nan 8.270 nan 0.000 0.448 35 Y N -0.424 119.909 120.300 0.055 0.000 2.588 35 Y HA 0.531 5.082 4.550 0.001 0.000 0.343 35 Y C -2.373 173.522 175.900 -0.007 0.000 1.065 35 Y CA -3.217 54.900 58.100 0.029 0.000 1.038 35 Y CB 1.215 39.702 38.460 0.044 0.000 1.297 35 Y HN -0.010 nan 8.280 nan 0.000 0.467 36 P HA 0.245 nan 4.420 nan 0.000 0.288 36 P C -0.775 176.538 177.300 0.021 0.000 1.291 36 P CA -0.467 62.639 63.100 0.010 0.000 0.766 36 P CB 0.432 32.085 31.700 -0.078 0.000 1.242 37 A N 0.576 123.378 122.820 -0.030 0.000 3.091 37 A HA 0.133 4.454 4.320 0.001 0.000 0.264 37 A C 1.287 178.858 177.584 -0.021 0.000 1.673 37 A CA -0.250 51.776 52.037 -0.020 0.000 1.362 37 A CB -1.826 17.153 19.000 -0.035 0.000 1.137 37 A HN 0.682 nan 8.150 nan 0.000 0.617 38 I N -0.072 120.489 120.570 -0.014 0.000 2.546 38 I HA 0.062 4.232 4.170 0.001 0.000 0.255 38 I C 1.112 177.229 176.117 -0.001 0.000 1.163 38 I CA 0.756 62.043 61.300 -0.020 0.000 1.457 38 I CB 0.008 37.976 38.000 -0.053 0.000 1.092 38 I HN 0.427 nan 8.210 nan 0.000 0.434 39 A N 1.917 124.738 122.820 0.001 0.000 2.340 39 A HA 0.520 4.840 4.320 0.001 0.000 0.268 39 A C -2.399 175.193 177.584 0.014 0.000 1.100 39 A CA -1.331 50.713 52.037 0.012 0.000 0.803 39 A CB -0.499 18.506 19.000 0.008 0.000 1.043 39 A HN 0.185 nan 8.150 nan 0.000 0.488 40 P HA 0.222 nan 4.420 nan 0.000 0.262 40 P C -2.481 174.827 177.300 0.013 0.000 1.199 40 P CA -0.616 62.490 63.100 0.011 0.000 0.763 40 P CB -0.225 31.463 31.700 -0.020 0.000 0.790 41 P HA 0.194 nan 4.420 nan 0.000 0.265 41 P C -0.716 176.650 177.300 0.109 0.000 1.193 41 P CA 0.466 63.604 63.100 0.063 0.000 0.765 41 P CB 0.477 32.217 31.700 0.067 0.000 0.823 42 A N 3.362 126.229 122.820 0.078 0.000 2.435 42 A HA 0.723 5.044 4.320 0.001 0.000 0.304 42 A C -1.160 176.474 177.584 0.083 0.000 1.064 42 A CA -0.511 51.561 52.037 0.059 0.000 0.727 42 A CB 0.862 19.862 19.000 -0.000 0.000 1.284 42 A HN 0.365 nan 8.150 nan 0.000 0.415 43 I N 1.113 121.739 120.570 0.093 0.000 2.474 43 I HA 0.619 4.790 4.170 0.001 0.000 0.294 43 I C 0.448 176.587 176.117 0.036 0.000 1.005 43 I CA -0.145 61.206 61.300 0.085 0.000 1.113 43 I CB 1.924 40.020 38.000 0.160 0.000 1.289 43 I HN 0.765 nan 8.210 nan 0.000 0.436 44 A N 6.286 129.125 122.820 0.030 0.000 2.303 44 A HA 0.792 5.113 4.320 0.001 0.000 0.320 44 A C -0.906 176.691 177.584 0.022 0.000 1.192 44 A CA -0.549 51.504 52.037 0.026 0.000 0.821 44 A CB 0.816 19.836 19.000 0.032 0.000 1.188 44 A HN 0.422 nan 8.150 nan 0.000 0.492 45 V N 2.958 122.884 119.914 0.021 0.000 2.398 45 V HA 0.486 4.606 4.120 0.001 0.000 0.286 45 V C -0.172 175.937 176.094 0.024 0.000 1.026 45 V CA -0.321 61.989 62.300 0.018 0.000 0.868 45 V CB 0.809 32.641 31.823 0.014 0.000 0.982 45 V HN 0.948 nan 8.190 nan 0.000 0.443 46 Q N 3.329 123.142 119.800 0.022 0.000 2.285 46 Q HA 0.763 5.104 4.340 0.001 0.000 0.269 46 Q C -1.225 174.791 176.000 0.026 0.000 1.030 46 Q CA -0.645 55.175 55.803 0.028 0.000 0.788 46 Q CB 2.992 31.746 28.738 0.026 0.000 1.266 46 Q HN 0.718 nan 8.270 nan 0.000 0.438 47 V N -1.193 118.744 119.914 0.039 0.000 3.141 47 V HA 0.854 4.974 4.120 0.001 0.000 0.312 47 V C -0.504 175.633 176.094 0.072 0.000 1.157 47 V CA -1.056 61.270 62.300 0.044 0.000 1.041 47 V CB 1.992 33.836 31.823 0.034 0.000 1.071 47 V HN 0.798 nan 8.190 nan 0.000 0.441 48 S N 0.454 116.206 115.700 0.087 0.000 2.532 48 S HA 0.628 5.098 4.470 0.001 0.000 0.299 48 S C -1.228 173.492 174.600 0.199 0.000 1.105 48 S CA -0.483 57.795 58.200 0.130 0.000 1.018 48 S CB 1.493 64.756 63.200 0.104 0.000 1.021 48 S HN 1.007 nan 8.310 nan 0.000 0.483 49 Y N 3.926 124.271 120.300 0.075 0.000 2.804 49 Y HA 0.446 4.996 4.550 0.001 0.000 0.330 49 Y C -2.852 173.107 175.900 0.099 0.000 1.092 49 Y CA -2.998 55.153 58.100 0.084 0.000 1.315 49 Y CB -0.030 38.469 38.460 0.064 0.000 1.188 49 Y HN 0.481 nan 8.280 nan 0.000 0.512 50 P HA 0.075 nan 4.420 nan 0.000 0.259 50 P C 0.827 178.237 177.300 0.182 0.000 1.163 50 P CA 2.134 65.406 63.100 0.287 0.000 0.760 50 P CB 0.405 32.331 31.700 0.377 0.000 0.762 51 G N 1.960 110.828 108.800 0.112 0.000 2.184 51 G HA2 -0.220 3.741 3.960 0.001 0.000 0.264 51 G HA3 -0.220 3.741 3.960 0.001 0.000 0.264 51 G C 0.522 175.390 174.900 -0.054 0.000 0.975 51 G CA 0.084 45.216 45.100 0.054 0.000 0.642 51 G HN 0.860 nan 8.290 nan 0.000 0.536 52 A N -0.002 122.731 122.820 -0.145 0.000 2.346 52 A HA 0.781 5.101 4.320 0.001 0.000 0.252 52 A C 0.972 178.485 177.584 -0.120 0.000 1.089 52 A CA 0.989 52.855 52.037 -0.284 0.000 0.797 52 A CB 0.456 19.132 19.000 -0.540 0.000 1.047 52 A HN 1.901 nan 8.150 nan 0.000 0.494 53 S N -0.528 115.099 115.700 -0.121 0.000 2.722 53 S HA 0.601 5.072 4.470 0.001 0.000 0.292 53 S C 1.109 175.692 174.600 -0.028 0.000 1.135 53 S CA -0.160 58.007 58.200 -0.056 0.000 1.003 53 S CB 1.368 64.529 63.200 -0.065 0.000 1.067 53 S HN 1.632 nan 8.310 nan 0.000 0.546 54 A N 0.350 123.171 122.820 0.001 0.000 1.978 54 A HA -0.112 4.209 4.320 0.001 0.000 0.220 54 A C 2.049 179.640 177.584 0.013 0.000 1.170 54 A CA 1.543 53.593 52.037 0.022 0.000 0.636 54 A CB -0.838 18.183 19.000 0.035 0.000 0.810 54 A HN 0.893 nan 8.150 nan 0.000 0.448 55 E N -0.801 119.391 120.200 -0.012 0.000 2.122 55 E HA -0.056 4.294 4.350 0.001 0.000 0.190 55 E C 0.741 177.335 176.600 -0.010 0.000 0.977 55 E CA 1.108 57.499 56.400 -0.015 0.000 0.820 55 E CB -0.123 29.555 29.700 -0.037 0.000 0.770 55 E HN 0.525 nan 8.360 nan 0.000 0.462 56 T N 0.794 115.324 114.554 -0.039 0.000 3.658 56 T HA 0.048 4.399 4.350 0.001 0.000 0.250 56 T C 0.963 175.664 174.700 0.002 0.000 1.060 56 T CA 0.162 62.227 62.100 -0.058 0.000 0.962 56 T CB 0.129 68.894 68.868 -0.171 0.000 1.075 56 T HN -0.008 nan 8.240 nan 0.000 0.610 57 V N 0.034 119.985 119.914 0.062 0.000 3.062 57 V HA 0.063 4.184 4.120 0.001 0.000 0.231 57 V C 1.878 178.031 176.094 0.099 0.000 1.632 57 V CA 0.556 62.936 62.300 0.134 0.000 1.115 57 V CB 0.305 32.206 31.823 0.129 0.000 1.041 57 V HN 0.422 nan 8.190 nan 0.000 0.443 58 Q N -0.383 119.457 119.800 0.066 0.000 2.245 58 Q HA -0.096 4.245 4.340 0.001 0.000 0.201 58 Q C 1.214 177.242 176.000 0.047 0.000 0.955 58 Q CA 2.267 58.103 55.803 0.055 0.000 0.870 58 Q CB -0.056 28.712 28.738 0.050 0.000 0.945 58 Q HN 0.629 nan 8.270 nan 0.000 0.461 59 D N 0.263 120.690 120.400 0.046 0.000 2.301 59 D HA -0.023 4.617 4.640 0.001 0.000 0.206 59 D C 1.417 177.745 176.300 0.048 0.000 0.979 59 D CA 1.584 55.606 54.000 0.037 0.000 0.874 59 D CB 0.535 41.349 40.800 0.023 0.000 0.968 59 D HN 0.518 nan 8.370 nan 0.000 0.510 60 T N -2.497 112.103 114.554 0.076 0.000 2.990 60 T HA 0.194 4.545 4.350 0.001 0.000 0.250 60 T C 1.758 176.506 174.700 0.080 0.000 1.041 60 T CA 0.078 62.233 62.100 0.092 0.000 1.010 60 T CB 0.460 69.428 68.868 0.165 0.000 1.003 60 T HN -0.107 nan 8.240 nan 0.000 0.499 61 V N 0.149 120.113 119.914 0.084 0.000 3.264 61 V HA 0.163 4.284 4.120 0.001 0.000 0.217 61 V C 2.467 178.586 176.094 0.041 0.000 1.236 61 V CA 0.261 62.597 62.300 0.060 0.000 1.287 61 V CB 0.072 31.945 31.823 0.084 0.000 1.241 61 V HN 0.212 nan 8.190 nan 0.000 0.518 62 V N 0.468 120.411 119.914 0.049 0.000 2.219 62 V HA -0.360 3.761 4.120 0.001 0.000 0.248 62 V C 2.537 178.642 176.094 0.018 0.000 1.053 62 V CA 2.606 64.925 62.300 0.033 0.000 1.009 62 V CB -0.811 31.034 31.823 0.038 0.000 0.636 62 V HN 0.587 nan 8.190 nan 0.000 0.445 63 Q N -0.736 119.076 119.800 0.020 0.000 2.173 63 Q HA -0.231 4.109 4.340 0.001 0.000 0.208 63 Q C 2.240 178.242 176.000 0.004 0.000 0.989 63 Q CA 2.160 57.969 55.803 0.010 0.000 0.872 63 Q CB -0.461 28.285 28.738 0.014 0.000 0.909 63 Q HN 0.611 nan 8.270 nan 0.000 0.420 64 V N 0.680 120.599 119.914 0.009 0.000 2.229 64 V HA -0.268 3.852 4.120 0.001 0.000 0.243 64 V C 2.186 178.279 176.094 -0.002 0.000 1.042 64 V CA 1.702 64.004 62.300 0.004 0.000 1.000 64 V CB -0.538 31.289 31.823 0.006 0.000 0.637 64 V HN 0.234 nan 8.190 nan 0.000 0.446 65 I N 0.209 120.779 120.570 -0.001 0.000 2.145 65 I HA -0.319 3.851 4.170 0.001 0.000 0.244 65 I C 2.502 178.612 176.117 -0.012 0.000 1.075 65 I CA 1.868 63.165 61.300 -0.005 0.000 1.332 65 I CB -0.582 37.418 38.000 -0.001 0.000 1.033 65 I HN 0.395 nan 8.210 nan 0.000 0.410 66 E N -0.110 120.081 120.200 -0.016 0.000 2.097 66 E HA -0.310 4.041 4.350 0.001 0.000 0.196 66 E C 2.137 178.720 176.600 -0.029 0.000 1.000 66 E CA 1.357 57.739 56.400 -0.030 0.000 0.804 66 E CB -0.260 29.419 29.700 -0.034 0.000 0.740 66 E HN 0.606 nan 8.360 nan 0.000 0.454 67 Q N -0.145 119.643 119.800 -0.020 0.000 2.500 67 Q HA -0.140 4.200 4.340 0.001 0.000 0.213 67 Q C 1.303 177.293 176.000 -0.016 0.000 0.974 67 Q CA 0.638 56.431 55.803 -0.018 0.000 0.918 67 Q CB 0.201 28.931 28.738 -0.012 0.000 0.980 67 Q HN 0.066 nan 8.270 nan 0.000 0.505 68 Q N -1.078 118.713 119.800 -0.015 0.000 2.217 68 Q HA 0.162 4.503 4.340 0.001 0.000 0.217 68 Q C -0.315 175.677 176.000 -0.012 0.000 0.844 68 Q CA 0.072 55.869 55.803 -0.011 0.000 0.957 68 Q CB 0.922 29.656 28.738 -0.008 0.000 1.127 68 Q HN 0.121 nan 8.270 nan 0.000 0.503 69 M N 2.578 122.166 119.600 -0.021 0.000 3.396 69 M HA 0.261 4.741 4.480 0.001 0.000 0.255 69 M C -1.008 175.274 176.300 -0.030 0.000 1.398 69 M CA 0.145 55.430 55.300 -0.025 0.000 1.554 69 M CB -0.997 31.576 32.600 -0.044 0.000 1.070 69 M HN 0.165 nan 8.290 nan 0.000 0.587 70 N N -1.339 117.352 118.700 -0.015 0.000 2.732 70 N HA 0.524 5.264 4.740 0.001 0.000 0.259 70 N C 0.317 175.829 175.510 0.004 0.000 1.402 70 N CA -0.320 52.722 53.050 -0.013 0.000 0.829 70 N CB 1.256 39.733 38.487 -0.017 0.000 1.495 70 N HN 0.406 nan 8.380 nan 0.000 0.511 71 G N 0.327 109.132 108.800 0.008 0.000 2.246 71 G HA2 -0.213 3.748 3.960 0.001 0.000 0.273 71 G HA3 -0.213 3.748 3.960 0.001 0.000 0.273 71 G C -0.140 174.778 174.900 0.031 0.000 1.055 71 G CA 0.640 45.749 45.100 0.015 0.000 0.851 71 G HN 0.825 nan 8.290 nan 0.000 0.500 72 I N -2.806 117.799 120.570 0.058 0.000 2.412 72 I HA 0.604 4.775 4.170 0.001 0.000 0.296 72 I C -0.515 175.682 176.117 0.135 0.000 0.987 72 I CA -1.374 59.994 61.300 0.113 0.000 1.180 72 I CB 1.551 39.678 38.000 0.211 0.000 1.340 72 I HN -0.209 nan 8.210 nan 0.000 0.455 73 D N 5.411 125.860 120.400 0.081 0.000 2.389 73 D HA 0.108 4.749 4.640 0.001 0.000 0.247 73 D C 0.313 176.680 176.300 0.112 0.000 1.128 73 D CA 0.603 54.632 54.000 0.049 0.000 0.884 73 D CB 0.557 41.342 40.800 -0.026 0.000 1.194 73 D HN 0.690 nan 8.370 nan 0.000 0.441 74 N N 0.656 119.429 118.700 0.123 0.000 2.776 74 N HA -0.217 4.523 4.740 0.001 0.000 0.250 74 N C -0.237 175.464 175.510 0.318 0.000 1.112 74 N CA 0.162 53.314 53.050 0.171 0.000 0.733 74 N CB -1.487 37.062 38.487 0.104 0.000 1.097 74 N HN 0.367 nan 8.380 nan 0.000 0.558 75 L N 1.088 122.437 121.223 0.210 0.000 2.418 75 L HA 0.184 4.525 4.340 0.001 0.000 0.274 75 L C 1.576 178.361 176.870 -0.142 0.000 1.135 75 L CA 0.335 55.141 54.840 -0.057 0.000 0.870 75 L CB 0.633 42.632 42.059 -0.100 0.000 1.154 75 L HN 0.157 nan 8.230 nan 0.000 0.462 76 R N 4.133 124.444 120.500 -0.315 0.000 2.051 76 R HA 0.166 4.506 4.340 0.001 0.000 0.218 76 R C -0.640 175.465 176.300 -0.325 0.000 1.188 76 R CA 0.913 56.807 56.100 -0.344 0.000 0.992 76 R CB 0.144 30.102 30.300 -0.571 0.000 0.883 76 R HN 0.781 nan 8.270 nan 0.000 0.444 77 Y N -2.287 117.806 120.300 -0.345 0.000 2.705 77 Y HA 0.598 5.149 4.550 0.001 0.000 0.332 77 Y C -1.221 174.419 175.900 -0.433 0.000 1.221 77 Y CA -1.561 56.292 58.100 -0.412 0.000 1.059 77 Y CB 1.232 39.428 38.460 -0.440 0.000 1.298 77 Y HN -0.060 nan 8.280 nan 0.000 0.459 78 I N 1.950 122.383 120.570 -0.228 0.000 2.607 78 I HA 0.646 4.817 4.170 0.001 0.000 0.290 78 I C -1.666 174.285 176.117 -0.276 0.000 1.129 78 I CA -0.356 60.809 61.300 -0.224 0.000 1.042 78 I CB 2.044 39.900 38.000 -0.239 0.000 1.242 78 I HN 0.782 nan 8.210 nan 0.000 0.421 79 S N 5.051 120.692 115.700 -0.097 0.000 2.547 79 S HA 0.807 5.277 4.470 0.001 0.000 0.281 79 S C -0.938 173.667 174.600 0.007 0.000 1.118 79 S CA -0.248 57.923 58.200 -0.048 0.000 0.947 79 S CB 1.620 64.890 63.200 0.117 0.000 1.053 79 S HN 0.790 nan 8.310 nan 0.000 0.482 80 S N 2.560 118.266 115.700 0.009 0.000 2.599 80 S HA 0.809 5.280 4.470 0.001 0.000 0.287 80 S C -1.252 173.396 174.600 0.080 0.000 1.105 80 S CA -0.896 57.330 58.200 0.043 0.000 0.899 80 S CB 1.609 64.821 63.200 0.020 0.000 1.100 80 S HN 0.888 nan 8.310 nan 0.000 0.482 81 E N -0.162 120.092 120.200 0.089 0.000 2.272 81 E HA 0.658 5.009 4.350 0.001 0.000 0.269 81 E C -1.528 175.126 176.600 0.091 0.000 0.877 81 E CA -0.990 55.471 56.400 0.102 0.000 0.755 81 E CB 1.933 31.704 29.700 0.119 0.000 1.192 81 E HN 0.609 nan 8.360 nan 0.000 0.422 82 S N 3.013 118.766 115.700 0.088 0.000 2.659 82 S HA 0.536 5.006 4.470 0.001 0.000 0.312 82 S C -0.768 173.881 174.600 0.082 0.000 1.114 82 S CA -1.044 57.205 58.200 0.083 0.000 1.063 82 S CB 0.409 63.653 63.200 0.074 0.000 0.996 82 S HN 0.659 nan 8.310 nan 0.000 0.478 83 N N 0.642 119.393 118.700 0.085 0.000 2.890 83 N HA 0.478 5.219 4.740 0.001 0.000 0.317 83 N C 0.927 176.480 175.510 0.073 0.000 1.355 83 N CA -0.726 52.374 53.050 0.082 0.000 0.803 83 N CB -0.008 38.536 38.487 0.095 0.000 1.465 83 N HN 0.453 nan 8.380 nan 0.000 0.591 84 S N -1.781 113.962 115.700 0.073 0.000 2.423 84 S HA -0.127 4.344 4.470 0.001 0.000 0.231 84 S C 0.259 174.899 174.600 0.065 0.000 1.014 84 S CA 0.762 59.000 58.200 0.063 0.000 0.965 84 S CB -1.008 62.234 63.200 0.070 0.000 0.785 84 S HN 0.769 nan 8.310 nan 0.000 0.495 85 D N 0.744 121.193 120.400 0.081 0.000 2.423 85 D HA 0.446 5.086 4.640 0.001 0.000 0.255 85 D C 1.520 177.872 176.300 0.087 0.000 1.174 85 D CA -0.155 53.897 54.000 0.087 0.000 1.008 85 D CB -0.132 40.729 40.800 0.101 0.000 1.101 85 D HN 0.100 nan 8.370 nan 0.000 0.516 86 G N -0.531 108.329 108.800 0.099 0.000 2.485 86 G HA2 -0.182 3.779 3.960 0.001 0.000 0.221 86 G HA3 -0.182 3.779 3.960 0.001 0.000 0.221 86 G C 0.677 175.657 174.900 0.133 0.000 1.115 86 G CA 1.077 46.252 45.100 0.125 0.000 0.751 86 G HN 0.718 nan 8.290 nan 0.000 0.567 87 S N -0.241 115.526 115.700 0.111 0.000 2.558 87 S HA 0.432 4.903 4.470 0.001 0.000 0.288 87 S C -0.030 174.632 174.600 0.103 0.000 1.318 87 S CA -0.234 58.028 58.200 0.102 0.000 1.056 87 S CB 1.237 64.494 63.200 0.096 0.000 0.853 87 S HN 0.314 nan 8.310 nan 0.000 0.505 88 M N 1.901 121.557 119.600 0.094 0.000 2.531 88 M HA 0.498 4.979 4.480 0.001 0.000 0.286 88 M C -1.844 174.502 176.300 0.076 0.000 1.232 88 M CA -0.259 55.093 55.300 0.087 0.000 0.877 88 M CB 2.287 34.938 32.600 0.086 0.000 1.726 88 M HN 0.817 nan 8.290 nan 0.000 0.463 89 T N 4.259 118.858 114.554 0.075 0.000 3.109 89 T HA 0.500 4.851 4.350 0.001 0.000 0.311 89 T C -1.269 173.466 174.700 0.058 0.000 1.011 89 T CA -0.523 61.617 62.100 0.067 0.000 1.026 89 T CB 1.425 70.343 68.868 0.083 0.000 1.047 89 T HN 0.672 nan 8.240 nan 0.000 0.448 90 I N 2.697 123.290 120.570 0.039 0.000 2.378 90 I HA 0.604 4.775 4.170 0.001 0.000 0.291 90 I C -0.839 175.286 176.117 0.013 0.000 0.992 90 I CA -0.238 61.075 61.300 0.021 0.000 1.154 90 I CB 1.278 39.281 38.000 0.003 0.000 1.315 90 I HN 0.455 nan 8.210 nan 0.000 0.448 91 T N 7.021 121.582 114.554 0.011 0.000 2.772 91 T HA 0.390 4.740 4.350 0.001 0.000 0.288 91 T C -0.476 174.185 174.700 -0.066 0.000 0.994 91 T CA -0.303 61.797 62.100 0.000 0.000 0.951 91 T CB 1.290 70.185 68.868 0.046 0.000 0.933 91 T HN 0.342 nan 8.240 nan 0.000 0.447 92 V N 4.791 124.625 119.914 -0.132 0.000 2.383 92 V HA 0.365 4.485 4.120 0.001 0.000 0.275 92 V C 0.516 176.299 176.094 -0.518 0.000 1.036 92 V CA -0.599 61.503 62.300 -0.330 0.000 0.889 92 V CB 1.349 32.957 31.823 -0.359 0.000 0.985 92 V HN 0.892 nan 8.190 nan 0.000 0.459 93 T N 6.325 120.510 114.554 -0.614 0.000 2.749 93 T HA 0.627 4.978 4.350 0.001 0.000 0.287 93 T C -0.534 173.707 174.700 -0.766 0.000 0.970 93 T CA -0.008 61.719 62.100 -0.621 0.000 0.980 93 T CB 0.367 68.781 68.868 -0.756 0.000 0.924 93 T HN 0.281 nan 8.240 nan 0.000 0.456 94 F N 1.395 121.208 119.950 -0.228 0.000 2.470 94 F HA 0.402 4.930 4.527 0.001 0.000 0.329 94 F C 1.076 176.786 175.800 -0.149 0.000 1.072 94 F CA -1.308 56.589 58.000 -0.172 0.000 0.989 94 F CB 0.869 39.804 39.000 -0.108 0.000 1.193 94 F HN 0.369 nan 8.300 nan 0.000 0.481 95 E N 1.213 121.480 120.200 0.110 0.000 2.422 95 E HA 0.003 4.354 4.350 0.001 0.000 0.260 95 E C -0.328 176.314 176.600 0.070 0.000 1.108 95 E CA -0.146 56.296 56.400 0.070 0.000 0.943 95 E CB 0.376 30.127 29.700 0.084 0.000 0.961 95 E HN 0.448 nan 8.360 nan 0.000 0.443 96 Q N -0.227 119.610 119.800 0.062 0.000 2.364 96 Q HA 0.255 4.596 4.340 0.001 0.000 0.267 96 Q C 0.828 176.845 176.000 0.028 0.000 0.999 96 Q CA 0.617 56.447 55.803 0.044 0.000 0.886 96 Q CB 0.651 29.421 28.738 0.053 0.000 1.243 96 Q HN 0.869 nan 8.270 nan 0.000 0.415 97 G N 2.209 111.012 108.800 0.006 0.000 2.131 97 G HA2 -0.220 3.741 3.960 0.001 0.000 0.223 97 G HA3 -0.220 3.741 3.960 0.001 0.000 0.223 97 G C -0.037 174.847 174.900 -0.025 0.000 0.990 97 G CA 0.112 45.207 45.100 -0.009 0.000 0.671 97 G HN 0.526 nan 8.290 nan 0.000 0.521 98 T N 1.242 115.775 114.554 -0.035 0.000 2.767 98 T HA 0.424 4.775 4.350 0.001 0.000 0.288 98 T C -0.094 174.537 174.700 -0.116 0.000 0.963 98 T CA -0.197 61.851 62.100 -0.087 0.000 1.019 98 T CB 1.629 70.433 68.868 -0.107 0.000 0.923 98 T HN 0.248 nan 8.240 nan 0.000 0.468 99 D N 4.607 124.930 120.400 -0.127 0.000 2.368 99 D HA 0.066 4.707 4.640 0.001 0.000 0.268 99 D C -1.377 174.829 176.300 -0.156 0.000 1.298 99 D CA -1.960 51.969 54.000 -0.117 0.000 0.938 99 D CB 1.194 41.933 40.800 -0.101 0.000 1.101 99 D HN 0.145 nan 8.370 nan 0.000 0.509 100 P HA -0.142 nan 4.420 nan 0.000 0.216 100 P C 0.840 178.068 177.300 -0.120 0.000 1.150 100 P CA 0.836 63.868 63.100 -0.113 0.000 0.843 100 P CB 0.341 32.002 31.700 -0.066 0.000 0.787 101 D N -0.508 119.831 120.400 -0.101 0.000 2.104 101 D HA -0.169 4.472 4.640 0.001 0.000 0.194 101 D C 1.817 178.053 176.300 -0.106 0.000 0.994 101 D CA 1.357 55.304 54.000 -0.088 0.000 0.830 101 D CB -0.672 40.085 40.800 -0.071 0.000 0.959 101 D HN 0.279 nan 8.370 nan 0.000 0.452 102 I N -1.065 119.424 120.570 -0.136 0.000 2.500 102 I HA 0.104 4.274 4.170 0.001 0.000 0.252 102 I C 2.112 178.099 176.117 -0.218 0.000 1.142 102 I CA 0.920 62.132 61.300 -0.147 0.000 1.451 102 I CB -0.649 37.271 38.000 -0.133 0.000 1.093 102 I HN -0.113 nan 8.210 nan 0.000 0.430 103 A N 0.573 123.180 122.820 -0.355 0.000 1.873 103 A HA -0.307 4.013 4.320 0.001 0.000 0.218 103 A C 2.453 179.906 177.584 -0.218 0.000 1.193 103 A CA 2.374 54.047 52.037 -0.607 0.000 0.629 103 A CB -1.166 17.248 19.000 -0.975 0.000 0.826 103 A HN 0.669 nan 8.150 nan 0.000 0.447 104 Q N -0.753 118.977 119.800 -0.117 0.000 1.985 104 Q HA -0.199 4.141 4.340 0.001 0.000 0.207 104 Q C 2.156 178.141 176.000 -0.025 0.000 0.996 104 Q CA 2.459 58.246 55.803 -0.027 0.000 0.851 104 Q CB -0.485 28.232 28.738 -0.035 0.000 0.921 104 Q HN 0.441 nan 8.270 nan 0.000 0.418 105 V N 0.910 120.794 119.914 -0.051 0.000 2.282 105 V HA -0.348 3.772 4.120 0.001 0.000 0.249 105 V C 2.271 178.349 176.094 -0.027 0.000 1.057 105 V CA 2.280 64.557 62.300 -0.039 0.000 1.032 105 V CB -0.421 31.374 31.823 -0.047 0.000 0.645 105 V HN 0.505 nan 8.190 nan 0.000 0.447 106 Q N -1.148 118.628 119.800 -0.041 0.000 2.077 106 Q HA -0.222 4.119 4.340 0.001 0.000 0.206 106 Q C 2.293 178.311 176.000 0.030 0.000 0.989 106 Q CA 2.176 57.971 55.803 -0.013 0.000 0.853 106 Q CB -0.476 28.244 28.738 -0.031 0.000 0.907 106 Q HN 0.587 nan 8.270 nan 0.000 0.418 107 V N 1.230 121.183 119.914 0.065 0.000 2.548 107 V HA -0.270 3.851 4.120 0.001 0.000 0.249 107 V C 2.331 178.450 176.094 0.042 0.000 1.055 107 V CA 2.195 64.550 62.300 0.092 0.000 1.065 107 V CB -0.216 31.702 31.823 0.158 0.000 0.681 107 V HN 0.497 nan 8.190 nan 0.000 0.462 108 Q N -0.655 119.159 119.800 0.024 0.000 2.187 108 Q HA -0.105 4.236 4.340 0.001 0.000 0.199 108 Q C 1.729 177.732 176.000 0.004 0.000 0.957 108 Q CA 1.930 57.739 55.803 0.010 0.000 0.857 108 Q CB -0.551 28.188 28.738 0.001 0.000 0.929 108 Q HN 0.507 nan 8.270 nan 0.000 0.453 109 N N 0.501 119.202 118.700 0.002 0.000 2.106 109 N HA -0.096 4.645 4.740 0.001 0.000 0.188 109 N C 1.242 176.753 175.510 0.001 0.000 1.029 109 N CA 1.311 54.360 53.050 -0.002 0.000 0.848 109 N CB -0.090 38.394 38.487 -0.005 0.000 1.007 109 N HN 0.134 nan 8.380 nan 0.000 0.423 110 K N 1.389 121.793 120.400 0.007 0.000 2.147 110 K HA 0.022 4.343 4.320 0.001 0.000 0.205 110 K C 1.789 178.390 176.600 0.002 0.000 1.049 110 K CA 0.125 56.415 56.287 0.005 0.000 0.936 110 K CB -0.736 31.771 32.500 0.010 0.000 0.722 110 K HN 0.169 nan 8.250 nan 0.000 0.446 111 L N 0.955 122.180 121.223 0.004 0.000 2.042 111 L HA -0.241 4.100 4.340 0.001 0.000 0.210 111 L C 1.872 178.741 176.870 -0.003 0.000 1.076 111 L CA 1.906 56.746 54.840 0.001 0.000 0.749 111 L CB -0.606 41.455 42.059 0.003 0.000 0.893 111 L HN 0.333 nan 8.230 nan 0.000 0.432 112 Q N -0.760 119.038 119.800 -0.004 0.000 2.084 112 Q HA -0.225 4.115 4.340 0.001 0.000 0.202 112 Q C 2.143 178.139 176.000 -0.007 0.000 0.978 112 Q CA 1.331 57.130 55.803 -0.006 0.000 0.844 112 Q CB -0.034 28.700 28.738 -0.007 0.000 0.898 112 Q HN 0.376 nan 8.270 nan 0.000 0.426 113 L N -0.490 120.730 121.223 -0.006 0.000 2.261 113 L HA -0.143 4.198 4.340 0.001 0.000 0.216 113 L C 1.752 178.618 176.870 -0.007 0.000 1.114 113 L CA 1.705 56.541 54.840 -0.006 0.000 0.777 113 L CB -0.623 41.433 42.059 -0.005 0.000 0.910 113 L HN 0.151 nan 8.230 nan 0.000 0.440 114 A N -3.047 119.769 122.820 -0.007 0.000 2.431 114 A HA 0.145 4.465 4.320 0.001 0.000 0.239 114 A C 2.005 179.583 177.584 -0.010 0.000 1.230 114 A CA 0.459 52.492 52.037 -0.008 0.000 0.928 114 A CB -0.343 18.653 19.000 -0.007 0.000 1.006 114 A HN 0.295 nan 8.150 nan 0.000 0.520 115 T N 1.804 116.351 114.554 -0.011 0.000 2.643 115 T HA -0.078 4.273 4.350 0.001 0.000 0.264 115 T C -0.488 174.201 174.700 -0.019 0.000 1.045 115 T CA 2.018 64.109 62.100 -0.015 0.000 1.155 115 T CB -1.036 67.823 68.868 -0.013 0.000 0.863 115 T HN 0.327 nan 8.240 nan 0.000 0.420 116 P HA 0.052 nan 4.420 nan 0.000 0.226 116 P C 1.160 178.450 177.300 -0.017 0.000 1.146 116 P CA 0.683 63.773 63.100 -0.017 0.000 0.773 116 P CB -0.159 31.532 31.700 -0.014 0.000 0.772 117 L N -2.140 119.074 121.223 -0.015 0.000 2.599 117 L HA 0.068 4.409 4.340 0.001 0.000 0.230 117 L C 0.345 177.207 176.870 -0.014 0.000 1.141 117 L CA -0.021 54.812 54.840 -0.012 0.000 0.877 117 L CB 0.017 42.071 42.059 -0.009 0.000 1.009 117 L HN -0.022 nan 8.230 nan 0.000 0.447 118 L N -0.514 120.695 121.223 -0.023 0.000 2.330 118 L HA 0.505 4.846 4.340 0.001 0.000 0.271 118 L C -2.141 174.697 176.870 -0.053 0.000 1.013 118 L CA -2.201 52.619 54.840 -0.034 0.000 0.816 118 L CB 1.067 43.100 42.059 -0.043 0.000 1.287 118 L HN -0.251 nan 8.230 nan 0.000 0.435 119 P HA -0.043 nan 4.420 nan 0.000 0.258 119 P C 0.120 177.333 177.300 -0.145 0.000 1.172 119 P CA 0.028 63.065 63.100 -0.105 0.000 0.762 119 P CB 0.302 31.891 31.700 -0.185 0.000 0.764 120 Q N 5.186 124.932 119.800 -0.090 0.000 2.234 120 Q HA -0.233 4.108 4.340 0.001 0.000 0.206 120 Q C 1.007 176.947 176.000 -0.100 0.000 0.980 120 Q CA 1.837 57.592 55.803 -0.080 0.000 0.869 120 Q CB -0.575 28.130 28.738 -0.055 0.000 0.912 120 Q HN 0.553 nan 8.270 nan 0.000 0.436 121 E N 1.055 121.172 120.200 -0.138 0.000 2.072 121 E HA -0.077 4.273 4.350 0.001 0.000 0.191 121 E C 2.306 178.805 176.600 -0.168 0.000 0.985 121 E CA 1.227 57.555 56.400 -0.120 0.000 0.801 121 E CB -0.623 29.046 29.700 -0.051 0.000 0.750 121 E HN 0.246 nan 8.360 nan 0.000 0.452 122 V N 1.849 121.540 119.914 -0.373 0.000 2.270 122 V HA -0.291 3.829 4.120 0.001 0.000 0.245 122 V C 2.797 178.827 176.094 -0.105 0.000 1.043 122 V CA 2.163 64.300 62.300 -0.272 0.000 1.014 122 V CB -0.831 30.789 31.823 -0.338 0.000 0.645 122 V HN 0.226 nan 8.190 nan 0.000 0.447 123 Q N -0.070 119.669 119.800 -0.101 0.000 2.118 123 Q HA -0.291 4.049 4.340 0.001 0.000 0.211 123 Q C 2.418 178.413 176.000 -0.010 0.000 0.998 123 Q CA 2.309 58.083 55.803 -0.049 0.000 0.872 123 Q CB -0.138 28.568 28.738 -0.053 0.000 0.925 123 Q HN 0.537 nan 8.270 nan 0.000 0.414 124 R N -0.631 119.871 120.500 0.003 0.000 2.148 124 R HA -0.125 4.215 4.340 0.001 0.000 0.223 124 R C 2.280 178.696 176.300 0.193 0.000 1.088 124 R CA 1.075 57.217 56.100 0.070 0.000 0.985 124 R CB -0.082 30.218 30.300 0.001 0.000 0.880 124 R HN 0.239 nan 8.270 nan 0.000 0.451 125 Q N 0.484 120.369 119.800 0.141 0.000 2.084 125 Q HA -0.051 4.290 4.340 0.001 0.000 0.202 125 Q C 0.119 176.153 176.000 0.057 0.000 0.978 125 Q CA 1.531 57.401 55.803 0.112 0.000 0.844 125 Q CB -0.012 28.765 28.738 0.065 0.000 0.898 125 Q HN 0.409 nan 8.270 nan 0.000 0.426 126 G N -0.148 108.675 108.800 0.039 0.000 3.421 126 G HA2 -0.130 3.830 3.960 0.001 0.000 0.686 126 G HA3 -0.130 3.830 3.960 0.001 0.000 0.686 126 G C -0.692 174.214 174.900 0.009 0.000 1.056 126 G CA -0.199 44.914 45.100 0.021 0.000 0.891 126 G HN 0.208 nan 8.290 nan 0.000 0.514 127 I N 2.517 123.089 120.570 0.004 0.000 2.359 127 I HA 0.477 4.648 4.170 0.001 0.000 0.294 127 I C 0.868 176.986 176.117 0.001 0.000 0.987 127 I CA -0.694 60.608 61.300 0.003 0.000 1.225 127 I CB 1.610 39.610 38.000 0.001 0.000 1.366 127 I HN 0.351 nan 8.210 nan 0.000 0.466 128 R N 5.009 125.510 120.500 0.002 0.000 2.294 128 R HA 0.573 4.913 4.340 0.001 0.000 0.319 128 R C -0.924 175.376 176.300 0.000 0.000 0.984 128 R CA -0.683 55.415 56.100 -0.003 0.000 0.861 128 R CB 2.145 32.441 30.300 -0.007 0.000 1.104 128 R HN 0.516 nan 8.270 nan 0.000 0.451 129 V N 0.133 120.045 119.914 -0.003 0.000 2.435 129 V HA 0.609 4.730 4.120 0.001 0.000 0.290 129 V C 0.072 176.163 176.094 -0.005 0.000 1.030 129 V CA -0.627 61.674 62.300 0.002 0.000 0.881 129 V CB 1.655 33.481 31.823 0.004 0.000 0.983 129 V HN 0.673 nan 8.190 nan 0.000 0.445 130 T N 3.104 117.659 114.554 0.001 0.000 2.923 130 T HA 0.421 4.772 4.350 0.001 0.000 0.311 130 T C -0.616 174.083 174.700 -0.002 0.000 1.183 130 T CA -0.789 61.305 62.100 -0.009 0.000 1.020 130 T CB 1.756 70.618 68.868 -0.010 0.000 1.165 130 T HN 0.820 nan 8.240 nan 0.000 0.482 131 K N 2.161 122.551 120.400 -0.016 0.000 2.363 131 K HA 0.459 4.779 4.320 0.001 0.000 0.289 131 K C 0.131 176.715 176.600 -0.026 0.000 1.063 131 K CA -0.153 56.124 56.287 -0.016 0.000 0.967 131 K CB 0.589 33.068 32.500 -0.035 0.000 0.987 131 K HN 0.508 nan 8.250 nan 0.000 0.473 132 A N 3.903 126.718 122.820 -0.009 0.000 3.260 132 A HA 0.270 4.591 4.320 0.001 0.000 0.268 132 A C -0.503 177.062 177.584 -0.032 0.000 1.491 132 A CA -0.461 51.572 52.037 -0.008 0.000 1.181 132 A CB 0.032 19.045 19.000 0.021 0.000 1.137 132 A HN 0.411 nan 8.150 nan 0.000 0.642 133 V N 0.833 120.691 119.914 -0.093 0.000 2.638 133 V HA 0.240 4.361 4.120 0.001 0.000 0.306 133 V C -0.092 175.837 176.094 -0.274 0.000 1.052 133 V CA -0.752 61.476 62.300 -0.119 0.000 0.885 133 V CB 2.157 33.929 31.823 -0.085 0.000 0.999 133 V HN 0.635 nan 8.190 nan 0.000 0.424 134 K N 3.369 123.619 120.400 -0.250 0.000 2.997 134 K HA 0.289 4.609 4.320 0.001 0.000 0.249 134 K C -0.051 176.347 176.600 -0.337 0.000 1.284 134 K CA -0.253 55.763 56.287 -0.451 0.000 1.245 134 K CB -0.147 32.287 32.500 -0.109 0.000 1.670 134 K HN 0.475 nan 8.250 nan 0.000 0.385 135 N N 1.525 120.016 118.700 -0.349 0.000 2.597 135 N HA 0.045 4.786 4.740 0.001 0.000 0.269 135 N C -0.708 174.774 175.510 -0.046 0.000 1.204 135 N CA -0.075 52.914 53.050 -0.101 0.000 0.947 135 N CB -0.220 38.236 38.487 -0.051 0.000 1.258 135 N HN 0.170 nan 8.380 nan 0.000 0.508 136 F N 0.923 120.938 119.950 0.107 0.000 2.571 136 F HA -0.036 4.491 4.527 0.001 0.000 0.384 136 F C 1.673 177.580 175.800 0.179 0.000 1.058 136 F CA -0.560 57.506 58.000 0.110 0.000 1.200 136 F CB 0.377 39.406 39.000 0.049 0.000 1.077 136 F HN 0.064 nan 8.300 nan 0.000 0.558 137 L N 5.259 126.677 121.223 0.325 0.000 1.910 137 L HA -0.074 4.266 4.340 0.001 0.000 0.221 137 L C 0.795 177.824 176.870 0.265 0.000 1.084 137 L CA 1.859 56.840 54.840 0.236 0.000 0.779 137 L CB -0.458 41.704 42.059 0.173 0.000 0.888 137 L HN 0.641 nan 8.230 nan 0.000 0.432 138 M N -2.326 117.417 119.600 0.240 0.000 2.796 138 M HA 0.614 5.094 4.480 0.001 0.000 0.303 138 M C -1.090 175.324 176.300 0.189 0.000 1.240 138 M CA -0.911 54.527 55.300 0.230 0.000 0.831 138 M CB 1.952 34.656 32.600 0.174 0.000 1.750 138 M HN -0.206 nan 8.290 nan 0.000 0.484 139 V N 1.912 121.911 119.914 0.142 0.000 2.419 139 V HA 0.355 4.475 4.120 0.001 0.000 0.287 139 V C -0.519 175.535 176.094 -0.066 0.000 1.017 139 V CA -0.767 61.517 62.300 -0.028 0.000 0.844 139 V CB 1.354 33.088 31.823 -0.149 0.000 1.011 139 V HN 0.712 nan 8.190 nan 0.000 0.429 140 V N 4.038 123.894 119.914 -0.097 0.000 2.488 140 V HA 0.540 4.660 4.120 0.001 0.000 0.277 140 V C 1.085 177.021 176.094 -0.263 0.000 1.046 140 V CA 0.166 62.331 62.300 -0.226 0.000 0.986 140 V CB 1.394 33.098 31.823 -0.198 0.000 0.989 140 V HN 0.905 nan 8.190 nan 0.000 0.475 141 G N 3.220 111.802 108.800 -0.364 0.000 2.348 141 G HA2 0.527 4.488 3.960 0.001 0.000 0.312 141 G HA3 0.527 4.488 3.960 0.001 0.000 0.312 141 G C -0.957 173.766 174.900 -0.295 0.000 1.126 141 G CA -0.392 44.528 45.100 -0.300 0.000 0.865 141 G HN 0.737 nan 8.290 nan 0.000 0.474 142 V N 4.330 124.136 119.914 -0.179 0.000 2.409 142 V HA 0.660 4.780 4.120 0.001 0.000 0.290 142 V C -0.192 175.827 176.094 -0.125 0.000 1.017 142 V CA -0.534 61.671 62.300 -0.158 0.000 0.841 142 V CB 1.164 32.917 31.823 -0.115 0.000 1.003 142 V HN 0.969 nan 8.190 nan 0.000 0.426 143 V N 3.824 123.666 119.914 -0.120 0.000 3.019 143 V HA 0.898 5.018 4.120 0.001 0.000 0.317 143 V C -0.031 176.024 176.094 -0.065 0.000 1.094 143 V CA -0.163 62.095 62.300 -0.070 0.000 1.000 143 V CB 2.126 33.953 31.823 0.008 0.000 1.060 143 V HN 1.125 nan 8.190 nan 0.000 0.443 144 S N 0.496 116.167 115.700 -0.048 0.000 2.448 144 S HA 0.366 4.837 4.470 0.001 0.000 0.320 144 S C 0.618 175.203 174.600 -0.024 0.000 1.071 144 S CA 0.089 58.262 58.200 -0.046 0.000 1.113 144 S CB 0.885 64.058 63.200 -0.045 0.000 0.972 144 S HN 0.871 nan 8.310 nan 0.000 0.465 145 T N 2.420 116.961 114.554 -0.021 0.000 2.701 145 T HA -0.123 4.227 4.350 0.001 0.000 0.263 145 T C 1.016 175.707 174.700 -0.014 0.000 1.040 145 T CA 2.034 64.129 62.100 -0.009 0.000 1.147 145 T CB -0.596 68.268 68.868 -0.007 0.000 0.865 145 T HN 0.912 nan 8.240 nan 0.000 0.426 146 D N 0.433 120.822 120.400 -0.017 0.000 2.324 146 D HA 0.284 4.924 4.640 0.001 0.000 0.235 146 D C 1.358 177.649 176.300 -0.016 0.000 1.095 146 D CA 0.466 54.457 54.000 -0.016 0.000 0.871 146 D CB -0.909 39.883 40.800 -0.014 0.000 0.906 146 D HN 0.418 nan 8.370 nan 0.000 0.522 147 G N 0.488 109.276 108.800 -0.019 0.000 2.180 147 G HA2 -0.408 3.553 3.960 0.001 0.000 0.263 147 G HA3 -0.408 3.553 3.960 0.001 0.000 0.263 147 G C 1.297 176.189 174.900 -0.013 0.000 0.989 147 G CA 1.084 46.172 45.100 -0.019 0.000 0.692 147 G HN 0.631 nan 8.290 nan 0.000 0.526 148 S N -1.001 114.692 115.700 -0.011 0.000 2.368 148 S HA 0.244 4.715 4.470 0.001 0.000 0.224 148 S C 1.343 175.948 174.600 0.007 0.000 1.029 148 S CA 1.297 59.496 58.200 -0.002 0.000 0.988 148 S CB -0.016 63.183 63.200 -0.003 0.000 0.838 148 S HN 0.545 nan 8.310 nan 0.000 0.462 149 M N 1.450 121.050 119.600 -0.000 0.000 2.423 149 M HA 0.415 4.896 4.480 0.001 0.000 0.335 149 M C 0.127 176.432 176.300 0.008 0.000 1.177 149 M CA -0.369 54.939 55.300 0.013 0.000 1.038 149 M CB 1.868 34.466 32.600 -0.003 0.000 1.641 149 M HN 0.157 nan 8.290 nan 0.000 0.455 150 T N 0.079 114.653 114.554 0.032 0.000 2.912 150 T HA 0.291 4.641 4.350 0.001 0.000 0.280 150 T C 0.994 175.696 174.700 0.003 0.000 0.989 150 T CA -0.484 61.630 62.100 0.022 0.000 0.995 150 T CB 1.028 69.931 68.868 0.057 0.000 1.077 150 T HN 0.678 nan 8.240 nan 0.000 0.531 151 K N 1.001 121.388 120.400 -0.022 0.000 2.052 151 K HA -0.171 4.150 4.320 0.001 0.000 0.215 151 K C 2.172 178.752 176.600 -0.032 0.000 1.053 151 K CA 2.251 58.512 56.287 -0.044 0.000 0.934 151 K CB -0.123 32.341 32.500 -0.060 0.000 0.717 151 K HN 0.592 nan 8.250 nan 0.000 0.450 152 E N 1.067 121.256 120.200 -0.019 0.000 2.085 152 E HA -0.208 4.142 4.350 0.001 0.000 0.194 152 E C 1.608 178.219 176.600 0.018 0.000 0.994 152 E CA 1.413 57.811 56.400 -0.004 0.000 0.801 152 E CB -0.497 29.236 29.700 0.055 0.000 0.743 152 E HN 0.398 nan 8.360 nan 0.000 0.453 153 D N 0.852 121.309 120.400 0.095 0.000 2.144 153 D HA -0.074 4.567 4.640 0.001 0.000 0.199 153 D C 2.292 178.581 176.300 -0.018 0.000 0.984 153 D CA 0.688 54.756 54.000 0.114 0.000 0.834 153 D CB -0.235 40.656 40.800 0.151 0.000 0.955 153 D HN 0.182 nan 8.370 nan 0.000 0.465 154 L N 0.862 122.073 121.223 -0.020 0.000 2.068 154 L HA -0.101 4.239 4.340 0.001 0.000 0.204 154 L C 2.586 179.447 176.870 -0.014 0.000 1.076 154 L CA 1.165 55.994 54.840 -0.018 0.000 0.753 154 L CB -0.623 41.412 42.059 -0.041 0.000 0.910 154 L HN 0.032 nan 8.230 nan 0.000 0.439 155 S N -0.368 115.302 115.700 -0.049 0.000 2.400 155 S HA -0.255 4.215 4.470 0.001 0.000 0.232 155 S C 1.800 176.335 174.600 -0.108 0.000 1.025 155 S CA 1.601 59.771 58.200 -0.050 0.000 0.993 155 S CB -0.782 62.397 63.200 -0.035 0.000 0.808 155 S HN 0.480 nan 8.310 nan 0.000 0.478 156 N N 0.140 118.704 118.700 -0.225 0.000 2.244 156 N HA -0.166 4.575 4.740 0.001 0.000 0.183 156 N C 1.643 177.046 175.510 -0.179 0.000 1.016 156 N CA 1.278 54.125 53.050 -0.339 0.000 0.866 156 N CB -0.334 37.624 38.487 -0.881 0.000 0.980 156 N HN 0.603 nan 8.380 nan 0.000 0.430 157 Y N 2.431 122.618 120.300 -0.189 0.000 2.145 157 Y HA -0.112 4.439 4.550 0.001 0.000 0.286 157 Y C 2.401 178.239 175.900 -0.103 0.000 1.145 157 Y CA 1.833 59.865 58.100 -0.113 0.000 1.148 157 Y CB -0.252 38.162 38.460 -0.077 0.000 0.981 157 Y HN 0.115 nan 8.280 nan 0.000 0.507 158 I N -2.618 117.991 120.570 0.065 0.000 3.001 158 I HA -0.060 4.110 4.170 0.001 0.000 0.268 158 I C 1.331 177.382 176.117 -0.110 0.000 1.267 158 I CA 0.776 62.066 61.300 -0.017 0.000 1.472 158 I CB -0.525 37.463 38.000 -0.019 0.000 1.089 158 I HN 0.038 nan 8.210 nan 0.000 0.468 159 V N 1.550 121.396 119.914 -0.113 0.000 2.725 159 V HA -0.083 4.037 4.120 0.001 0.000 0.247 159 V C 2.441 178.463 176.094 -0.121 0.000 1.058 159 V CA 1.779 64.016 62.300 -0.104 0.000 1.080 159 V CB 0.003 31.774 31.823 -0.087 0.000 0.713 159 V HN 0.703 nan 8.190 nan 0.000 0.465 160 S N -1.378 114.218 115.700 -0.173 0.000 2.523 160 S HA 0.154 4.625 4.470 0.001 0.000 0.217 160 S C 1.322 175.777 174.600 -0.242 0.000 0.996 160 S CA -0.089 58.004 58.200 -0.178 0.000 0.921 160 S CB 0.062 63.162 63.200 -0.167 0.000 0.829 160 S HN 0.522 nan 8.310 nan 0.000 0.495 161 N N 1.687 120.192 118.700 -0.325 0.000 2.557 161 N HA 0.321 5.062 4.740 0.001 0.000 0.217 161 N C 1.178 176.555 175.510 -0.222 0.000 1.062 161 N CA 1.118 53.941 53.050 -0.379 0.000 0.863 161 N CB 0.527 38.521 38.487 -0.821 0.000 1.390 161 N HN 0.609 nan 8.380 nan 0.000 0.445 162 I N -1.513 118.954 120.570 -0.171 0.000 3.947 162 I HA 0.322 4.492 4.170 0.001 0.000 0.327 162 I C 1.321 177.325 176.117 -0.188 0.000 1.519 162 I CA -0.024 61.199 61.300 -0.129 0.000 1.122 162 I CB 0.635 38.597 38.000 -0.063 0.000 1.146 162 I HN -0.103 nan 8.210 nan 0.000 0.442 163 Q N 1.530 121.213 119.800 -0.194 0.000 2.200 163 Q HA -0.136 4.205 4.340 0.001 0.000 0.197 163 Q C 1.610 177.535 176.000 -0.126 0.000 0.953 163 Q CA 1.579 57.227 55.803 -0.259 0.000 0.851 163 Q CB 0.282 28.929 28.738 -0.151 0.000 0.938 163 Q HN 0.558 nan 8.270 nan 0.000 0.488 164 D N 0.271 120.634 120.400 -0.061 0.000 2.092 164 D HA -0.115 4.526 4.640 0.001 0.000 0.193 164 D C -0.997 175.293 176.300 -0.015 0.000 0.994 164 D CA 1.461 55.454 54.000 -0.011 0.000 0.828 164 D CB -0.669 40.112 40.800 -0.032 0.000 0.963 164 D HN 0.243 nan 8.370 nan 0.000 0.450 165 P HA -0.072 nan 4.420 nan 0.000 0.221 165 P C 1.647 178.931 177.300 -0.025 0.000 1.150 165 P CA 0.487 63.562 63.100 -0.041 0.000 0.800 165 P CB 0.030 31.691 31.700 -0.065 0.000 0.787 166 L N 0.297 121.482 121.223 -0.064 0.000 2.027 166 L HA -0.091 4.250 4.340 0.001 0.000 0.206 166 L C 2.200 179.112 176.870 0.071 0.000 1.074 166 L CA 2.639 57.441 54.840 -0.064 0.000 0.745 166 L CB -1.458 40.439 42.059 -0.271 0.000 0.898 166 L HN 0.111 nan 8.230 nan 0.000 0.433 167 S N -0.769 115.034 115.700 0.173 0.000 2.469 167 S HA -0.157 4.313 4.470 0.001 0.000 0.238 167 S C 1.770 176.459 174.600 0.148 0.000 0.998 167 S CA 0.609 59.008 58.200 0.331 0.000 0.957 167 S CB -0.297 63.140 63.200 0.395 0.000 0.764 167 S HN 0.469 nan 8.310 nan 0.000 0.514 168 R N 1.614 122.165 120.500 0.086 0.000 2.427 168 R HA 0.163 4.503 4.340 0.001 0.000 0.262 168 R C 0.099 176.422 176.300 0.039 0.000 0.943 168 R CA 0.441 56.571 56.100 0.050 0.000 1.081 168 R CB 0.581 30.898 30.300 0.028 0.000 1.166 168 R HN 0.633 nan 8.270 nan 0.000 0.534 169 T N -1.497 113.087 114.554 0.050 0.000 2.867 169 T HA 0.334 4.685 4.350 0.001 0.000 0.282 169 T C -0.070 174.657 174.700 0.045 0.000 1.000 169 T CA -0.979 61.145 62.100 0.040 0.000 1.042 169 T CB 1.789 70.680 68.868 0.037 0.000 0.973 169 T HN -0.100 nan 8.240 nan 0.000 0.465 170 K N 1.597 122.017 120.400 0.033 0.000 2.530 170 K HA 0.349 4.670 4.320 0.001 0.000 0.280 170 K C 1.478 178.100 176.600 0.037 0.000 1.004 170 K CA 1.038 57.342 56.287 0.029 0.000 1.071 170 K CB -0.259 32.253 32.500 0.020 0.000 0.876 170 K HN 1.099 nan 8.250 nan 0.000 0.487 171 G N 0.923 109.745 108.800 0.036 0.000 2.179 171 G HA2 -0.257 3.704 3.960 0.001 0.000 0.260 171 G HA3 -0.257 3.704 3.960 0.001 0.000 0.260 171 G C 0.082 175.016 174.900 0.057 0.000 0.977 171 G CA 0.024 45.147 45.100 0.039 0.000 0.641 171 G HN 0.419 nan 8.290 nan 0.000 0.533 172 V N 1.208 121.166 119.914 0.074 0.000 2.455 172 V HA 0.610 4.731 4.120 0.001 0.000 0.273 172 V C 1.399 177.547 176.094 0.090 0.000 1.045 172 V CA 0.596 62.964 62.300 0.114 0.000 0.976 172 V CB 0.830 32.749 31.823 0.160 0.000 0.993 172 V HN 0.581 nan 8.190 nan 0.000 0.475 173 G N 3.391 112.239 108.800 0.081 0.000 3.434 173 G HA2 0.209 4.170 3.960 0.001 0.000 0.192 173 G HA3 0.209 4.170 3.960 0.001 0.000 0.192 173 G C -0.511 174.357 174.900 -0.052 0.000 1.704 173 G CA -0.374 44.734 45.100 0.014 0.000 0.936 173 G HN 0.583 nan 8.290 nan 0.000 0.623 174 D N 1.386 121.749 120.400 -0.061 0.000 2.352 174 D HA 0.408 5.049 4.640 0.001 0.000 0.245 174 D C -0.359 175.935 176.300 -0.010 0.000 1.224 174 D CA -0.046 53.871 54.000 -0.139 0.000 0.879 174 D CB 0.437 41.183 40.800 -0.091 0.000 1.057 174 D HN 0.158 nan 8.370 nan 0.000 0.491 175 F N 0.232 120.217 119.950 0.059 0.000 2.432 175 F HA 0.552 5.079 4.527 0.001 0.000 0.329 175 F C -0.034 175.790 175.800 0.040 0.000 1.076 175 F CA -1.395 56.646 58.000 0.068 0.000 1.018 175 F CB 0.803 39.827 39.000 0.040 0.000 1.201 175 F HN 0.145 nan 8.300 nan 0.000 0.489 176 Q N 1.567 121.571 119.800 0.341 0.000 2.304 176 Q HA 0.675 5.015 4.340 0.001 0.000 0.270 176 Q C -2.005 174.044 176.000 0.081 0.000 1.035 176 Q CA -1.018 54.893 55.803 0.180 0.000 0.781 176 Q CB 2.103 30.872 28.738 0.052 0.000 1.261 176 Q HN 0.663 nan 8.270 nan 0.000 0.444 177 V N 3.479 123.441 119.914 0.080 0.000 2.732 177 V HA 0.228 4.349 4.120 0.001 0.000 0.297 177 V C -0.409 175.669 176.094 -0.027 0.000 1.060 177 V CA -0.236 62.076 62.300 0.020 0.000 1.038 177 V CB 0.789 32.623 31.823 0.019 0.000 1.003 177 V HN 0.796 nan 8.190 nan 0.000 0.481 178 F N 3.664 123.581 119.950 -0.056 0.000 2.377 178 F HA 0.594 5.122 4.527 0.001 0.000 0.360 178 F C 0.808 176.571 175.800 -0.061 0.000 1.147 178 F CA 0.957 58.922 58.000 -0.059 0.000 1.170 178 F CB 0.280 39.260 39.000 -0.033 0.000 1.339 178 F HN 0.791 nan 8.300 nan 0.000 0.552 179 G N 2.179 111.043 108.800 0.107 0.000 2.570 179 G HA2 -0.036 3.924 3.960 0.001 0.000 0.686 179 G HA3 -0.036 3.924 3.960 0.001 0.000 0.686 179 G C -1.094 173.791 174.900 -0.025 0.000 1.257 179 G CA -0.881 44.240 45.100 0.034 0.000 0.846 179 G HN 0.611 nan 8.290 nan 0.000 0.627 180 S N -0.059 115.608 115.700 -0.055 0.000 2.719 180 S HA 0.682 5.153 4.470 0.001 0.000 0.285 180 S C 0.936 175.488 174.600 -0.080 0.000 1.137 180 S CA -0.094 58.072 58.200 -0.058 0.000 1.012 180 S CB 1.216 64.382 63.200 -0.057 0.000 1.134 180 S HN 1.003 nan 8.310 nan 0.000 0.544 181 Q N -0.423 119.335 119.800 -0.070 0.000 2.447 181 Q HA 0.307 4.647 4.340 0.001 0.000 0.180 181 Q C -0.486 175.489 176.000 -0.041 0.000 1.135 181 Q CA -0.363 55.377 55.803 -0.104 0.000 1.206 181 Q CB -0.040 28.659 28.738 -0.065 0.000 1.351 181 Q HN 0.668 nan 8.270 nan 0.000 0.646 182 Y N -0.082 120.238 120.300 0.033 0.000 2.282 182 Y HA 0.287 4.837 4.550 0.001 0.000 0.335 182 Y C 0.085 176.060 175.900 0.124 0.000 1.335 182 Y CA -0.137 58.013 58.100 0.084 0.000 1.529 182 Y CB 1.494 40.038 38.460 0.139 0.000 1.429 182 Y HN 0.750 nan 8.280 nan 0.000 0.563 183 S N 0.714 116.665 115.700 0.418 0.000 2.583 183 S HA 0.231 4.701 4.470 0.001 0.000 0.294 183 S C -1.348 173.395 174.600 0.239 0.000 1.121 183 S CA -1.152 57.287 58.200 0.398 0.000 0.910 183 S CB 0.835 64.220 63.200 0.308 0.000 1.102 183 S HN 0.393 nan 8.310 nan 0.000 0.451 184 M N 3.455 123.145 119.600 0.151 0.000 2.513 184 M HA 0.198 4.678 4.480 0.001 0.000 0.341 184 M C 0.398 176.550 176.300 -0.246 0.000 1.689 184 M CA 0.745 55.820 55.300 -0.375 0.000 1.202 184 M CB -0.800 31.130 32.600 -1.117 0.000 1.996 184 M HN 0.609 nan 8.290 nan 0.000 0.458 185 R N 4.960 125.333 120.500 -0.213 0.000 2.346 185 R HA 0.698 5.038 4.340 0.001 0.000 0.311 185 R C -0.174 175.811 176.300 -0.525 0.000 0.983 185 R CA -0.637 55.259 56.100 -0.340 0.000 0.880 185 R CB 1.590 31.747 30.300 -0.238 0.000 1.100 185 R HN 0.752 nan 8.270 nan 0.000 0.453 186 I N -1.184 118.975 120.570 -0.685 0.000 2.646 186 I HA 0.594 4.764 4.170 0.001 0.000 0.299 186 I C -1.424 174.281 176.117 -0.686 0.000 1.036 186 I CA -1.130 59.861 61.300 -0.514 0.000 1.074 186 I CB 1.858 39.721 38.000 -0.229 0.000 1.258 186 I HN 0.530 nan 8.210 nan 0.000 0.430 187 W N 6.388 127.693 121.300 0.008 0.000 2.453 187 W HA 0.575 5.235 4.660 0.001 0.000 0.310 187 W C -0.965 175.586 176.519 0.052 0.000 1.000 187 W CA -0.615 56.742 57.345 0.020 0.000 1.367 187 W CB 1.188 30.639 29.460 -0.014 0.000 1.269 187 W HN 0.258 nan 8.180 nan 0.000 0.418 188 L N 3.420 124.807 121.223 0.273 0.000 2.453 188 L HA 0.126 4.467 4.340 0.001 0.000 0.272 188 L C 0.511 177.524 176.870 0.238 0.000 1.182 188 L CA 0.235 55.235 54.840 0.267 0.000 0.858 188 L CB 0.413 42.691 42.059 0.365 0.000 1.120 188 L HN 0.317 nan 8.230 nan 0.000 0.474 189 D N 4.706 125.153 120.400 0.078 0.000 2.317 189 D HA 0.212 4.853 4.640 0.001 0.000 0.234 189 D C -1.796 174.367 176.300 -0.229 0.000 1.112 189 D CA -2.012 51.941 54.000 -0.079 0.000 0.840 189 D CB 2.089 42.861 40.800 -0.047 0.000 1.078 189 D HN 0.180 nan 8.370 nan 0.000 0.486 190 P HA -0.059 nan 4.420 nan 0.000 0.215 190 P C 1.000 178.099 177.300 -0.335 0.000 1.157 190 P CA 1.173 63.794 63.100 -0.799 0.000 0.859 190 P CB 0.229 31.002 31.700 -1.546 0.000 0.786 191 A N 0.478 123.130 122.820 -0.281 0.000 1.851 191 A HA -0.266 4.055 4.320 0.001 0.000 0.216 191 A C 2.334 179.851 177.584 -0.112 0.000 1.195 191 A CA 2.293 54.228 52.037 -0.170 0.000 0.622 191 A CB -1.495 17.427 19.000 -0.130 0.000 0.831 191 A HN 0.109 nan 8.150 nan 0.000 0.444 192 K N -0.660 119.699 120.400 -0.068 0.000 2.147 192 K HA -0.057 4.263 4.320 0.001 0.000 0.205 192 K C 1.955 178.607 176.600 0.087 0.000 1.049 192 K CA 1.090 57.393 56.287 0.026 0.000 0.936 192 K CB -0.255 32.262 32.500 0.027 0.000 0.722 192 K HN 0.505 nan 8.250 nan 0.000 0.446 193 L N 0.842 122.079 121.223 0.024 0.000 1.988 193 L HA -0.229 4.112 4.340 0.001 0.000 0.207 193 L C 2.353 179.265 176.870 0.071 0.000 1.071 193 L CA 1.423 56.309 54.840 0.076 0.000 0.744 193 L CB -0.664 41.456 42.059 0.101 0.000 0.893 193 L HN 0.326 nan 8.230 nan 0.000 0.433 194 N N -0.082 118.591 118.700 -0.044 0.000 2.096 194 N HA -0.273 4.468 4.740 0.001 0.000 0.195 194 N C 1.931 177.364 175.510 -0.128 0.000 1.017 194 N CA 1.845 54.783 53.050 -0.186 0.000 0.870 194 N CB -0.345 37.792 38.487 -0.584 0.000 1.024 194 N HN 0.345 nan 8.380 nan 0.000 0.434 195 S N -0.529 115.121 115.700 -0.083 0.000 2.434 195 S HA -0.255 4.216 4.470 0.001 0.000 0.240 195 S C 1.509 176.050 174.600 -0.098 0.000 1.052 195 S CA 1.704 59.844 58.200 -0.100 0.000 1.198 195 S CB -0.970 62.200 63.200 -0.050 0.000 1.124 195 S HN 0.498 nan 8.310 nan 0.000 0.426 196 Y N 2.398 122.674 120.300 -0.041 0.000 2.542 196 Y HA 0.274 4.824 4.550 0.001 0.000 0.326 196 Y C 1.098 176.994 175.900 -0.007 0.000 1.218 196 Y CA 0.561 58.651 58.100 -0.018 0.000 1.277 196 Y CB -1.259 37.198 38.460 -0.005 0.000 1.064 196 Y HN 0.455 nan 8.280 nan 0.000 0.499 197 Q N -0.202 119.655 119.800 0.095 0.000 2.435 197 Q HA -0.224 4.117 4.340 0.001 0.000 0.312 197 Q C -0.915 175.151 176.000 0.111 0.000 1.333 197 Q CA 0.384 56.231 55.803 0.073 0.000 0.883 197 Q CB -1.932 26.835 28.738 0.048 0.000 1.170 197 Q HN 0.514 nan 8.270 nan 0.000 0.443 198 L N 0.023 121.325 121.223 0.132 0.000 2.346 198 L HA 0.501 4.842 4.340 0.001 0.000 0.276 198 L C 0.411 177.374 176.870 0.155 0.000 1.006 198 L CA -0.619 54.297 54.840 0.127 0.000 0.817 198 L CB 2.060 44.182 42.059 0.106 0.000 1.272 198 L HN -0.022 nan 8.230 nan 0.000 0.421 199 T N 3.399 118.044 114.554 0.152 0.000 2.907 199 T HA 0.218 4.569 4.350 0.001 0.000 0.284 199 T C -1.745 173.055 174.700 0.167 0.000 1.004 199 T CA -1.234 60.979 62.100 0.188 0.000 1.063 199 T CB 1.899 70.867 68.868 0.167 0.000 0.992 199 T HN 0.363 nan 8.240 nan 0.000 0.483 200 P HA -0.157 nan 4.420 nan 0.000 0.217 200 P C 1.684 179.037 177.300 0.088 0.000 1.158 200 P CA 1.226 64.413 63.100 0.146 0.000 0.887 200 P CB -0.124 31.641 31.700 0.108 0.000 0.792 201 G N -0.452 108.397 108.800 0.082 0.000 2.507 201 G HA2 -0.296 3.664 3.960 0.001 0.000 0.221 201 G HA3 -0.296 3.664 3.960 0.001 0.000 0.221 201 G C 1.074 176.003 174.900 0.048 0.000 1.119 201 G CA 1.334 46.467 45.100 0.055 0.000 0.751 201 G HN 0.219 nan 8.290 nan 0.000 0.574 202 D N 0.384 120.821 120.400 0.061 0.000 2.078 202 D HA -0.104 4.536 4.640 0.001 0.000 0.193 202 D C 2.831 179.154 176.300 0.038 0.000 0.990 202 D CA 1.263 55.292 54.000 0.049 0.000 0.827 202 D CB -0.863 39.972 40.800 0.058 0.000 0.975 202 D HN 0.220 nan 8.370 nan 0.000 0.451 203 V N 0.887 120.828 119.914 0.046 0.000 2.317 203 V HA -0.297 3.824 4.120 0.001 0.000 0.251 203 V C 2.520 178.632 176.094 0.030 0.000 1.065 203 V CA 2.081 64.403 62.300 0.037 0.000 1.049 203 V CB -1.024 30.826 31.823 0.046 0.000 0.651 203 V HN 0.199 nan 8.190 nan 0.000 0.450 204 S N 1.122 116.837 115.700 0.025 0.000 2.378 204 S HA -0.258 4.213 4.470 0.001 0.000 0.221 204 S C 2.288 176.892 174.600 0.008 0.000 1.037 204 S CA 2.531 60.738 58.200 0.011 0.000 1.069 204 S CB -0.639 62.562 63.200 0.002 0.000 1.006 204 S HN 0.838 nan 8.310 nan 0.000 0.423 205 S N 2.248 117.952 115.700 0.006 0.000 2.400 205 S HA -0.044 4.427 4.470 0.001 0.000 0.232 205 S C 2.096 176.697 174.600 0.002 0.000 1.025 205 S CA 1.223 59.424 58.200 0.001 0.000 0.993 205 S CB -1.113 62.089 63.200 0.004 0.000 0.808 205 S HN 0.759 nan 8.310 nan 0.000 0.478 206 A N 3.180 126.005 122.820 0.008 0.000 1.865 206 A HA -0.057 4.264 4.320 0.001 0.000 0.217 206 A C 2.331 179.914 177.584 -0.001 0.000 1.191 206 A CA 1.781 53.820 52.037 0.003 0.000 0.623 206 A CB -0.965 18.039 19.000 0.007 0.000 0.826 206 A HN 0.741 nan 8.150 nan 0.000 0.444 207 I N -2.748 117.833 120.570 0.017 0.000 2.546 207 I HA -0.198 3.973 4.170 0.001 0.000 0.255 207 I C 2.160 178.288 176.117 0.019 0.000 1.163 207 I CA 1.440 62.758 61.300 0.030 0.000 1.457 207 I CB -0.967 37.103 38.000 0.116 0.000 1.092 207 I HN 0.355 nan 8.210 nan 0.000 0.434 208 Q N 1.901 121.705 119.800 0.008 0.000 2.124 208 Q HA -0.081 4.259 4.340 0.001 0.000 0.202 208 Q C 2.396 178.388 176.000 -0.014 0.000 0.977 208 Q CA 1.834 57.633 55.803 -0.008 0.000 0.850 208 Q CB -0.156 28.569 28.738 -0.023 0.000 0.901 208 Q HN 0.714 nan 8.270 nan 0.000 0.429 209 A N 0.280 123.090 122.820 -0.015 0.000 2.147 209 A HA -0.024 4.297 4.320 0.001 0.000 0.211 209 A C 1.517 179.085 177.584 -0.028 0.000 1.160 209 A CA 0.327 52.353 52.037 -0.019 0.000 0.781 209 A CB 0.264 19.254 19.000 -0.015 0.000 0.842 209 A HN 0.231 nan 8.150 nan 0.000 0.475 210 Q N -0.659 119.118 119.800 -0.039 0.000 2.247 210 Q HA 0.168 4.508 4.340 0.001 0.000 0.211 210 Q C -0.203 175.744 176.000 -0.088 0.000 0.861 210 Q CA -0.090 55.676 55.803 -0.062 0.000 0.949 210 Q CB 0.272 28.966 28.738 -0.073 0.000 1.115 210 Q HN 0.634 nan 8.270 nan 0.000 0.507 211 N N 0.608 119.268 118.700 -0.066 0.000 2.716 211 N HA 0.318 5.059 4.740 0.001 0.000 0.253 211 N C -1.791 173.711 175.510 -0.014 0.000 1.170 211 N CA -0.037 52.975 53.050 -0.063 0.000 0.807 211 N CB 1.235 39.681 38.487 -0.069 0.000 1.183 211 N HN -0.168 nan 8.380 nan 0.000 0.524 212 V N 2.080 121.985 119.914 -0.016 0.000 2.932 212 V HA 0.263 4.384 4.120 0.001 0.000 0.307 212 V C -0.576 175.517 176.094 -0.002 0.000 1.147 212 V CA -0.731 61.567 62.300 -0.004 0.000 0.951 212 V CB 2.212 34.028 31.823 -0.011 0.000 1.031 212 V HN 0.506 nan 8.190 nan 0.000 0.426 213 Q N 3.789 123.592 119.800 0.004 0.000 2.771 213 Q HA 0.458 4.798 4.340 0.001 0.000 0.239 213 Q C 0.029 176.029 176.000 -0.001 0.000 1.231 213 Q CA -0.323 55.482 55.803 0.004 0.000 1.056 213 Q CB 0.925 29.669 28.738 0.009 0.000 1.284 213 Q HN 0.791 nan 8.270 nan 0.000 0.558 214 I N -1.505 119.063 120.570 -0.004 0.000 2.752 214 I HA 0.083 4.253 4.170 0.001 0.000 0.287 214 I C 0.128 176.243 176.117 -0.004 0.000 1.188 214 I CA -0.338 60.959 61.300 -0.006 0.000 1.427 214 I CB 0.675 38.671 38.000 -0.007 0.000 1.365 214 I HN 0.154 nan 8.210 nan 0.000 0.585 215 S N 4.760 120.457 115.700 -0.005 0.000 2.596 215 S HA 0.087 4.557 4.470 0.001 0.000 0.298 215 S C 0.378 174.976 174.600 -0.004 0.000 1.255 215 S CA -0.316 57.881 58.200 -0.004 0.000 1.083 215 S CB -0.235 62.962 63.200 -0.005 0.000 0.837 215 S HN 0.827 nan 8.310 nan 0.000 0.499 216 S N 2.625 118.324 115.700 -0.003 0.000 2.489 216 S HA 0.737 5.208 4.470 0.001 0.000 0.291 216 S C 0.501 175.099 174.600 -0.003 0.000 1.151 216 S CA -0.691 57.507 58.200 -0.003 0.000 1.082 216 S CB 1.514 64.713 63.200 -0.002 0.000 1.019 216 S HN 0.767 nan 8.310 nan 0.000 0.492 217 G N 1.257 110.055 108.800 -0.003 0.000 2.510 217 G HA2 0.506 4.467 3.960 0.001 0.000 0.280 217 G HA3 0.506 4.467 3.960 0.001 0.000 0.280 217 G C -0.863 174.036 174.900 -0.002 0.000 1.386 217 G CA -0.795 44.303 45.100 -0.003 0.000 1.047 217 G HN 0.750 nan 8.290 nan 0.000 0.527 218 Q N -0.678 119.120 119.800 -0.002 0.000 2.353 218 Q HA 0.345 4.686 4.340 0.001 0.000 0.268 218 Q C -0.797 175.202 176.000 -0.002 0.000 1.045 218 Q CA -0.556 55.246 55.803 -0.002 0.000 0.811 218 Q CB 2.648 31.385 28.738 -0.002 0.000 1.305 218 Q HN 0.309 nan 8.270 nan 0.000 0.447 219 L N 1.905 123.127 121.223 -0.001 0.000 2.401 219 L HA 0.346 4.687 4.340 0.001 0.000 0.283 219 L C 0.836 177.705 176.870 -0.001 0.000 1.151 219 L CA 0.105 54.944 54.840 -0.001 0.000 0.942 219 L CB -0.138 41.920 42.059 -0.001 0.000 1.283 219 L HN 1.087 nan 8.230 nan 0.000 0.442 220 G N 1.636 110.435 108.800 -0.001 0.000 2.173 220 G HA2 -0.154 3.807 3.960 0.001 0.000 0.142 220 G HA3 -0.154 3.807 3.960 0.001 0.000 0.142 220 G C 0.434 175.334 174.900 -0.001 0.000 1.019 220 G CA -0.503 44.597 45.100 -0.001 0.000 0.699 220 G HN 0.786 nan 8.290 nan 0.000 0.495 221 G N 0.111 108.910 108.800 -0.002 0.000 2.432 221 G HA2 0.483 4.443 3.960 0.001 0.000 0.239 221 G HA3 0.483 4.443 3.960 0.001 0.000 0.239 221 G C 0.559 175.458 174.900 -0.002 0.000 1.291 221 G CA -0.157 44.942 45.100 -0.002 0.000 0.863 221 G HN 0.656 nan 8.290 nan 0.000 0.560 222 L N 2.566 123.788 121.223 -0.002 0.000 2.417 222 L HA 0.259 4.599 4.340 0.001 0.000 0.268 222 L C -1.327 175.541 176.870 -0.002 0.000 1.158 222 L CA -1.505 53.334 54.840 -0.002 0.000 0.819 222 L CB 0.426 42.484 42.059 -0.002 0.000 1.112 222 L HN 0.403 nan 8.230 nan 0.000 0.458 223 P HA 0.548 nan 4.420 nan 0.000 0.274 223 P C -1.316 175.983 177.300 -0.002 0.000 1.256 223 P CA -0.516 62.583 63.100 -0.002 0.000 0.795 223 P CB 0.871 32.570 31.700 -0.002 0.000 1.038 224 A N 0.042 122.861 122.820 -0.002 0.000 2.532 224 A HA 0.480 4.800 4.320 0.001 0.000 0.296 224 A C -0.795 176.788 177.584 -0.001 0.000 1.058 224 A CA -0.655 51.381 52.037 -0.001 0.000 0.729 224 A CB 0.695 19.694 19.000 -0.001 0.000 1.285 224 A HN 0.282 nan 8.150 nan 0.000 0.396 225 V N 2.800 122.714 119.914 -0.001 0.000 2.963 225 V HA 0.104 4.224 4.120 0.001 0.000 0.306 225 V C 0.975 177.069 176.094 -0.001 0.000 1.077 225 V CA -0.216 62.083 62.300 -0.001 0.000 1.124 225 V CB 0.685 32.508 31.823 -0.001 0.000 0.987 225 V HN 0.924 nan 8.190 nan 0.000 0.487 226 K N 2.126 122.526 120.400 -0.001 0.000 2.580 226 K HA 0.186 4.506 4.320 0.001 0.000 0.278 226 K C 1.280 177.879 176.600 -0.001 0.000 0.960 226 K CA 0.993 57.279 56.287 -0.001 0.000 0.988 226 K CB -0.196 32.303 32.500 -0.001 0.000 0.887 226 K HN 1.121 nan 8.250 nan 0.000 0.509 227 G N 0.624 109.423 108.800 -0.001 0.000 2.313 227 G HA2 -0.318 3.643 3.960 0.001 0.000 0.215 227 G HA3 -0.318 3.643 3.960 0.001 0.000 0.215 227 G C 0.068 174.967 174.900 -0.001 0.000 1.023 227 G CA 0.137 45.236 45.100 -0.001 0.000 0.626 227 G HN 0.696 nan 8.290 nan 0.000 0.503 228 Q N 1.040 120.840 119.800 -0.001 0.000 2.859 228 Q HA 0.084 4.425 4.340 0.001 0.000 0.364 228 Q C 0.513 176.512 176.000 -0.001 0.000 1.067 228 Q CA 1.432 57.234 55.803 -0.001 0.000 1.162 228 Q CB 0.010 28.748 28.738 -0.001 0.000 1.023 228 Q HN 0.686 nan 8.270 nan 0.000 0.415 229 Q N 3.850 123.650 119.800 -0.001 0.000 1.988 229 Q HA 0.276 4.616 4.340 0.001 0.000 0.199 229 Q C -0.918 175.081 176.000 -0.000 0.000 0.767 229 Q CA -0.036 55.767 55.803 -0.000 0.000 0.966 229 Q CB 0.962 29.700 28.738 -0.000 0.000 1.219 229 Q HN 0.631 nan 8.270 nan 0.000 0.432 230 L N 1.514 122.737 121.223 -0.000 0.000 2.485 230 L HA 0.426 4.767 4.340 0.001 0.000 0.260 230 L C -0.231 176.639 176.870 -0.001 0.000 0.998 230 L CA -0.392 54.448 54.840 -0.000 0.000 0.883 230 L CB 1.235 43.294 42.059 -0.000 0.000 1.196 230 L HN -0.011 nan 8.230 nan 0.000 0.443 231 N N 1.838 120.537 118.700 -0.001 0.000 2.313 231 N HA 0.168 4.909 4.740 0.001 0.000 0.207 231 N C 0.664 176.173 175.510 -0.001 0.000 1.141 231 N CA -0.052 52.998 53.050 -0.001 0.000 0.830 231 N CB 0.592 39.078 38.487 -0.001 0.000 1.008 231 N HN 0.624 nan 8.380 nan 0.000 0.481 232 A N -0.156 122.664 122.820 -0.000 0.000 2.455 232 A HA 0.315 4.636 4.320 0.001 0.000 0.244 232 A C 0.848 178.432 177.584 -0.000 0.000 1.099 232 A CA 0.289 52.325 52.037 -0.000 0.000 0.786 232 A CB 0.186 19.186 19.000 0.000 0.000 1.051 232 A HN 0.172 nan 8.150 nan 0.000 0.508 233 T N -0.824 113.730 114.554 -0.000 0.000 2.926 233 T HA 0.643 4.994 4.350 0.001 0.000 0.289 233 T C -0.344 174.356 174.700 -0.000 0.000 1.054 233 T CA -0.257 61.843 62.100 -0.000 0.000 1.015 233 T CB 0.544 69.412 68.868 -0.001 0.000 1.167 233 T HN 0.935 nan 8.240 nan 0.000 0.526 234 I N 1.240 121.810 120.570 -0.001 0.000 2.693 234 I HA 0.706 4.876 4.170 0.001 0.000 0.303 234 I C -0.581 175.536 176.117 -0.000 0.000 1.025 234 I CA -1.569 59.731 61.300 -0.000 0.000 1.086 234 I CB 1.915 39.914 38.000 -0.001 0.000 1.268 234 I HN 0.740 nan 8.210 nan 0.000 0.440 235 I N 1.848 122.418 120.570 0.000 0.000 2.339 235 I HA 0.732 4.903 4.170 0.001 0.000 0.290 235 I C 0.624 176.741 176.117 -0.000 0.000 0.994 235 I CA -0.364 60.936 61.300 0.001 0.000 1.191 235 I CB 1.327 39.328 38.000 0.002 0.000 1.343 235 I HN 0.790 nan 8.210 nan 0.000 0.458 236 G N 6.073 114.873 108.800 -0.001 0.000 2.447 236 G HA2 0.172 4.132 3.960 0.001 0.000 0.269 236 G HA3 0.172 4.132 3.960 0.001 0.000 0.269 236 G C 0.106 175.004 174.900 -0.002 0.000 1.455 236 G CA -0.722 44.377 45.100 -0.002 0.000 1.061 236 G HN 0.782 nan 8.290 nan 0.000 0.545 237 K N -1.592 118.805 120.400 -0.004 0.000 2.170 237 K HA 0.338 4.658 4.320 0.001 0.000 0.241 237 K C 0.047 176.646 176.600 -0.001 0.000 1.071 237 K CA 0.434 56.718 56.287 -0.006 0.000 0.822 237 K CB 0.150 32.643 32.500 -0.010 0.000 1.097 237 K HN 0.420 nan 8.250 nan 0.000 0.522 238 T N -0.513 114.041 114.554 -0.001 0.000 2.903 238 T HA 0.328 4.679 4.350 0.001 0.000 0.299 238 T C -0.908 173.798 174.700 0.010 0.000 1.093 238 T CA -0.842 61.263 62.100 0.009 0.000 1.002 238 T CB 1.070 69.946 68.868 0.013 0.000 1.127 238 T HN 0.405 nan 8.240 nan 0.000 0.488 239 R N 1.798 122.319 120.500 0.035 0.000 2.577 239 R HA 0.479 4.819 4.340 0.001 0.000 0.269 239 R C -0.105 176.239 176.300 0.073 0.000 1.084 239 R CA -0.708 55.427 56.100 0.059 0.000 1.163 239 R CB 0.492 30.857 30.300 0.107 0.000 1.100 239 R HN 0.536 nan 8.270 nan 0.000 0.547 240 L N 2.731 123.990 121.223 0.059 0.000 2.477 240 L HA -0.019 4.322 4.340 0.001 0.000 0.272 240 L C 1.588 178.616 176.870 0.263 0.000 1.157 240 L CA 0.103 54.956 54.840 0.022 0.000 0.889 240 L CB 0.544 42.379 42.059 -0.373 0.000 1.158 240 L HN 0.538 nan 8.230 nan 0.000 0.473 241 Q N 1.205 121.118 119.800 0.189 0.000 2.165 241 Q HA 0.017 4.358 4.340 0.001 0.000 0.197 241 Q C 0.896 177.028 176.000 0.220 0.000 0.952 241 Q CA 0.814 56.767 55.803 0.250 0.000 0.848 241 Q CB 0.592 29.420 28.738 0.151 0.000 0.931 241 Q HN 0.746 nan 8.270 nan 0.000 0.470 242 T N -1.738 112.892 114.554 0.127 0.000 2.950 242 T HA 0.516 4.866 4.350 0.001 0.000 0.288 242 T C 0.607 175.362 174.700 0.091 0.000 1.035 242 T CA 0.095 62.241 62.100 0.077 0.000 1.028 242 T CB 1.646 70.547 68.868 0.056 0.000 1.109 242 T HN 0.079 nan 8.240 nan 0.000 0.514 243 A N 1.665 124.495 122.820 0.016 0.000 2.119 243 A HA 0.126 4.447 4.320 0.001 0.000 0.217 243 A C 1.986 179.618 177.584 0.079 0.000 1.153 243 A CA 1.446 53.492 52.037 0.016 0.000 0.692 243 A CB -0.743 18.203 19.000 -0.090 0.000 0.799 243 A HN 0.894 nan 8.150 nan 0.000 0.458 244 E N 0.329 120.558 120.200 0.048 0.000 2.051 244 E HA -0.194 4.156 4.350 0.001 0.000 0.192 244 E C 2.121 178.738 176.600 0.028 0.000 0.991 244 E CA 1.652 58.072 56.400 0.033 0.000 0.799 244 E CB -0.266 29.445 29.700 0.019 0.000 0.748 244 E HN 0.725 nan 8.360 nan 0.000 0.449 245 Q N -1.034 118.774 119.800 0.013 0.000 2.234 245 Q HA -0.132 4.209 4.340 0.001 0.000 0.206 245 Q C 1.513 177.440 176.000 -0.121 0.000 0.980 245 Q CA 1.059 56.823 55.803 -0.066 0.000 0.869 245 Q CB -0.181 28.488 28.738 -0.114 0.000 0.912 245 Q HN 0.313 nan 8.270 nan 0.000 0.436 246 F N 0.719 120.621 119.950 -0.080 0.000 2.771 246 F HA -0.037 4.490 4.527 0.001 0.000 0.299 246 F C 1.310 177.070 175.800 -0.067 0.000 1.177 246 F CA 0.737 58.685 58.000 -0.087 0.000 1.450 246 F CB 0.301 39.220 39.000 -0.136 0.000 1.114 246 F HN 0.075 nan 8.300 nan 0.000 0.587 247 E N -1.237 119.005 120.200 0.070 0.000 2.489 247 E HA 0.053 4.404 4.350 0.001 0.000 0.204 247 E C 0.811 177.407 176.600 -0.006 0.000 1.006 247 E CA -0.008 56.411 56.400 0.032 0.000 0.936 247 E CB 0.136 29.852 29.700 0.026 0.000 1.002 247 E HN 0.188 nan 8.360 nan 0.000 0.488 248 N N 1.122 119.805 118.700 -0.028 0.000 2.230 248 N HA 0.070 4.810 4.740 0.001 0.000 0.202 248 N C -0.012 175.466 175.510 -0.052 0.000 1.119 248 N CA 0.100 53.127 53.050 -0.040 0.000 0.851 248 N CB 0.487 38.948 38.487 -0.042 0.000 0.990 248 N HN 0.206 nan 8.380 nan 0.000 0.497 249 I N -0.100 120.435 120.570 -0.058 0.000 2.379 249 I HA 0.199 4.369 4.170 0.001 0.000 0.290 249 I C 0.065 176.158 176.117 -0.041 0.000 1.063 249 I CA -0.457 60.808 61.300 -0.059 0.000 1.351 249 I CB -0.147 37.812 38.000 -0.068 0.000 1.410 249 I HN -0.195 nan 8.210 nan 0.000 0.505 250 L N 6.587 127.789 121.223 -0.035 0.000 2.562 250 L HA 0.051 4.392 4.340 0.001 0.000 0.271 250 L C 1.247 178.103 176.870 -0.022 0.000 1.167 250 L CA 0.039 54.863 54.840 -0.027 0.000 0.917 250 L CB 0.347 42.396 42.059 -0.017 0.000 1.187 250 L HN 0.687 nan 8.230 nan 0.000 0.482 251 L N 2.981 124.186 121.223 -0.029 0.000 2.298 251 L HA 0.164 4.505 4.340 0.001 0.000 0.209 251 L C 0.834 177.705 176.870 0.001 0.000 1.084 251 L CA 0.784 55.613 54.840 -0.019 0.000 0.816 251 L CB 0.044 42.077 42.059 -0.043 0.000 0.967 251 L HN 0.592 nan 8.230 nan 0.000 0.460 252 K N -0.526 119.877 120.400 0.006 0.000 2.562 252 K HA 0.436 4.756 4.320 0.001 0.000 0.267 252 K C -1.816 174.809 176.600 0.041 0.000 0.938 252 K CA -0.529 55.779 56.287 0.035 0.000 0.840 252 K CB 2.677 35.219 32.500 0.071 0.000 1.390 252 K HN -0.350 nan 8.250 nan 0.000 0.428 253 V N 4.015 123.953 119.914 0.040 0.000 2.350 253 V HA 0.296 4.417 4.120 0.001 0.000 0.285 253 V C -0.397 175.722 176.094 0.043 0.000 1.014 253 V CA -1.059 61.264 62.300 0.039 0.000 0.831 253 V CB 1.270 33.107 31.823 0.024 0.000 1.000 253 V HN 0.727 nan 8.190 nan 0.000 0.433 254 N N 6.165 124.896 118.700 0.052 0.000 2.371 254 N HA 0.212 4.953 4.740 0.001 0.000 0.243 254 N C -1.604 173.921 175.510 0.025 0.000 1.287 254 N CA -1.458 51.617 53.050 0.042 0.000 0.911 254 N CB 0.758 39.271 38.487 0.043 0.000 1.142 254 N HN 0.272 nan 8.380 nan 0.000 0.451 255 P HA -0.060 nan 4.420 nan 0.000 0.221 255 P C -0.024 177.281 177.300 0.008 0.000 1.145 255 P CA 1.078 64.184 63.100 0.010 0.000 0.795 255 P CB 0.230 31.934 31.700 0.005 0.000 0.775 256 D N -1.239 119.166 120.400 0.008 0.000 2.378 256 D HA 0.060 4.701 4.640 0.001 0.000 0.227 256 D C 1.504 177.810 176.300 0.010 0.000 1.012 256 D CA 1.101 55.105 54.000 0.006 0.000 0.905 256 D CB -0.828 39.974 40.800 0.004 0.000 0.895 256 D HN 0.158 nan 8.370 nan 0.000 0.532 257 G N 0.899 109.707 108.800 0.014 0.000 2.176 257 G HA2 -0.261 3.700 3.960 0.001 0.000 0.252 257 G HA3 -0.261 3.700 3.960 0.001 0.000 0.252 257 G C 0.346 175.257 174.900 0.018 0.000 1.024 257 G CA 0.579 45.688 45.100 0.014 0.000 0.755 257 G HN 0.534 nan 8.290 nan 0.000 0.507 258 S N -1.265 114.451 115.700 0.026 0.000 2.651 258 S HA 0.763 5.234 4.470 0.001 0.000 0.291 258 S C -0.249 174.376 174.600 0.043 0.000 1.141 258 S CA -0.659 57.562 58.200 0.036 0.000 1.027 258 S CB 2.091 65.319 63.200 0.046 0.000 1.043 258 S HN 0.396 nan 8.310 nan 0.000 0.530 259 Q N 1.051 120.876 119.800 0.041 0.000 2.348 259 Q HA 0.526 4.867 4.340 0.001 0.000 0.265 259 Q C -1.288 174.734 176.000 0.037 0.000 0.998 259 Q CA -0.738 55.084 55.803 0.032 0.000 0.831 259 Q CB 1.910 30.657 28.738 0.014 0.000 1.251 259 Q HN 0.581 nan 8.270 nan 0.000 0.456 260 V N 3.842 123.774 119.914 0.029 0.000 2.407 260 V HA 0.465 4.585 4.120 0.001 0.000 0.278 260 V C 0.166 176.206 176.094 -0.090 0.000 1.037 260 V CA -0.418 61.859 62.300 -0.038 0.000 0.900 260 V CB 1.069 32.876 31.823 -0.027 0.000 0.983 260 V HN 0.702 nan 8.190 nan 0.000 0.459 261 R N 2.699 123.120 120.500 -0.132 0.000 2.930 261 R HA 0.526 4.867 4.340 0.001 0.000 0.257 261 R C 0.838 177.067 176.300 -0.119 0.000 1.107 261 R CA -0.983 55.060 56.100 -0.095 0.000 0.999 261 R CB 1.707 31.974 30.300 -0.056 0.000 1.209 261 R HN 0.518 nan 8.270 nan 0.000 0.486 262 L N 1.582 122.766 121.223 -0.065 0.000 2.131 262 L HA -0.187 4.154 4.340 0.001 0.000 0.210 262 L C 1.823 178.665 176.870 -0.046 0.000 1.092 262 L CA 1.736 56.549 54.840 -0.045 0.000 0.759 262 L CB -0.138 41.925 42.059 0.006 0.000 0.903 262 L HN 0.566 nan 8.230 nan 0.000 0.435 263 K N -0.388 119.989 120.400 -0.039 0.000 2.089 263 K HA -0.209 4.112 4.320 0.001 0.000 0.210 263 K C 1.037 177.606 176.600 -0.052 0.000 1.048 263 K CA 1.674 57.944 56.287 -0.028 0.000 0.926 263 K CB -0.435 32.053 32.500 -0.019 0.000 0.714 263 K HN 0.359 nan 8.250 nan 0.000 0.448 264 D N 0.314 120.644 120.400 -0.117 0.000 2.332 264 D HA -0.010 4.631 4.640 0.001 0.000 0.244 264 D C 1.034 177.208 176.300 -0.211 0.000 1.136 264 D CA 0.477 54.368 54.000 -0.181 0.000 0.884 264 D CB 0.538 41.113 40.800 -0.374 0.000 0.906 264 D HN 0.044 nan 8.370 nan 0.000 0.520 265 V N -0.839 119.007 119.914 -0.114 0.000 3.193 265 V HA 0.378 4.498 4.120 0.001 0.000 0.237 265 V C 0.331 176.430 176.094 0.009 0.000 1.447 265 V CA 0.469 62.731 62.300 -0.063 0.000 1.227 265 V CB 1.021 32.801 31.823 -0.072 0.000 1.040 265 V HN 0.231 nan 8.190 nan 0.000 0.458 266 A N -0.602 122.231 122.820 0.021 0.000 2.602 266 A HA 0.730 5.050 4.320 0.001 0.000 0.290 266 A C -2.110 175.518 177.584 0.072 0.000 1.114 266 A CA -0.444 51.636 52.037 0.070 0.000 0.683 266 A CB 1.336 20.387 19.000 0.084 0.000 1.281 266 A HN 0.118 nan 8.150 nan 0.000 0.416 267 D N 0.305 120.784 120.400 0.131 0.000 2.210 267 D HA 0.511 5.152 4.640 0.001 0.000 0.249 267 D C -0.878 175.500 176.300 0.129 0.000 1.078 267 D CA 0.132 54.209 54.000 0.129 0.000 0.875 267 D CB 1.788 42.679 40.800 0.151 0.000 1.175 267 D HN 0.174 nan 8.370 nan 0.000 0.440 268 V N 1.804 121.755 119.914 0.062 0.000 2.407 268 V HA 0.805 4.925 4.120 0.001 0.000 0.291 268 V C 0.480 176.561 176.094 -0.021 0.000 1.018 268 V CA -0.358 61.937 62.300 -0.008 0.000 0.842 268 V CB 1.467 33.283 31.823 -0.013 0.000 0.996 268 V HN 0.659 nan 8.190 nan 0.000 0.426 269 G N 3.838 112.614 108.800 -0.040 0.000 2.698 269 G HA2 0.597 4.558 3.960 0.001 0.000 0.293 269 G HA3 0.597 4.558 3.960 0.001 0.000 0.293 269 G C -1.377 173.461 174.900 -0.103 0.000 1.437 269 G CA -0.910 44.158 45.100 -0.053 0.000 0.852 269 G HN 0.567 nan 8.290 nan 0.000 0.499 270 L N 0.679 121.788 121.223 -0.190 0.000 2.456 270 L HA 0.542 4.882 4.340 0.001 0.000 0.272 270 L C 1.221 177.978 176.870 -0.188 0.000 1.189 270 L CA 0.806 55.454 54.840 -0.321 0.000 0.846 270 L CB 0.797 42.432 42.059 -0.706 0.000 1.111 270 L HN 0.865 nan 8.230 nan 0.000 0.475 271 G N 1.211 109.998 108.800 -0.021 0.000 2.793 271 G HA2 0.610 4.571 3.960 0.001 0.000 0.248 271 G HA3 0.610 4.571 3.960 0.001 0.000 0.248 271 G C -1.003 174.080 174.900 0.304 0.000 1.198 271 G CA 0.005 45.252 45.100 0.246 0.000 0.865 271 G HN 0.782 nan 8.290 nan 0.000 0.534 272 G N -1.349 107.541 108.800 0.151 0.000 2.511 272 G HA2 0.496 4.457 3.960 0.001 0.000 0.318 272 G HA3 0.496 4.457 3.960 0.001 0.000 0.318 272 G C 0.265 175.073 174.900 -0.154 0.000 1.210 272 G CA -0.088 44.945 45.100 -0.112 0.000 0.969 272 G HN 0.471 nan 8.290 nan 0.000 0.484 273 Q N -0.857 118.805 119.800 -0.229 0.000 2.020 273 Q HA -0.032 4.309 4.340 0.001 0.000 0.198 273 Q C -0.119 175.656 176.000 -0.376 0.000 0.974 273 Q CA 0.977 56.515 55.803 -0.442 0.000 0.829 273 Q CB 0.199 28.767 28.738 -0.285 0.000 0.894 273 Q HN 0.501 nan 8.270 nan 0.000 0.433 274 D N -1.671 118.598 120.400 -0.218 0.000 2.505 274 D HA 0.141 4.781 4.640 0.001 0.000 0.249 274 D C -1.173 175.076 176.300 -0.086 0.000 1.082 274 D CA -0.568 53.393 54.000 -0.065 0.000 0.839 274 D CB 0.944 41.724 40.800 -0.033 0.000 1.317 274 D HN -0.009 nan 8.370 nan 0.000 0.497 275 Y N 1.393 121.707 120.300 0.025 0.000 2.658 275 Y HA 0.173 4.724 4.550 0.001 0.000 0.276 275 Y C 1.930 177.862 175.900 0.052 0.000 1.167 275 Y CA -0.135 57.993 58.100 0.048 0.000 1.230 275 Y CB 0.649 39.148 38.460 0.065 0.000 1.144 275 Y HN 0.268 nan 8.280 nan 0.000 0.529 276 S N 0.492 116.282 115.700 0.150 0.000 2.436 276 S HA 0.102 4.573 4.470 0.001 0.000 0.228 276 S C 0.679 175.353 174.600 0.124 0.000 1.014 276 S CA 0.407 58.688 58.200 0.134 0.000 0.950 276 S CB -0.131 63.140 63.200 0.118 0.000 0.784 276 S HN 0.452 nan 8.310 nan 0.000 0.504 277 I N -0.474 120.163 120.570 0.112 0.000 2.466 277 I HA 0.587 4.757 4.170 0.001 0.000 0.289 277 I C -1.547 174.616 176.117 0.076 0.000 1.026 277 I CA -0.921 60.452 61.300 0.123 0.000 1.078 277 I CB 1.684 39.787 38.000 0.172 0.000 1.249 277 I HN -0.219 nan 8.210 nan 0.000 0.429 278 N N 4.882 123.607 118.700 0.041 0.000 2.399 278 N HA 0.683 5.424 4.740 0.001 0.000 0.295 278 N C -0.932 174.520 175.510 -0.097 0.000 1.048 278 N CA -0.446 52.590 53.050 -0.024 0.000 0.886 278 N CB 2.402 40.881 38.487 -0.013 0.000 1.185 278 N HN 0.861 nan 8.380 nan 0.000 0.487 279 A N 2.089 124.794 122.820 -0.192 0.000 2.319 279 A HA 0.489 4.810 4.320 0.001 0.000 0.310 279 A C -0.694 176.666 177.584 -0.373 0.000 1.152 279 A CA -0.650 51.187 52.037 -0.334 0.000 0.783 279 A CB 0.824 19.512 19.000 -0.520 0.000 1.184 279 A HN 0.618 nan 8.150 nan 0.000 0.474 280 Q N 0.996 120.550 119.800 -0.409 0.000 2.330 280 Q HA 0.478 4.818 4.340 0.001 0.000 0.269 280 Q C -1.544 174.180 176.000 -0.459 0.000 1.022 280 Q CA -0.378 55.217 55.803 -0.347 0.000 0.796 280 Q CB 2.745 31.356 28.738 -0.211 0.000 1.271 280 Q HN 0.670 nan 8.270 nan 0.000 0.450 281 F N 4.387 124.017 119.950 -0.533 0.000 2.291 281 F HA 0.330 4.858 4.527 0.001 0.000 0.368 281 F C -0.510 175.180 175.800 -0.183 0.000 1.085 281 F CA -0.576 57.178 58.000 -0.409 0.000 1.165 281 F CB 0.323 39.133 39.000 -0.317 0.000 1.429 281 F HN 0.586 nan 8.300 nan 0.000 0.503 282 N N 4.314 122.725 118.700 -0.482 0.000 2.688 282 N HA -0.162 4.578 4.740 0.001 0.000 0.261 282 N C 0.923 176.316 175.510 -0.195 0.000 1.116 282 N CA 1.006 53.838 53.050 -0.364 0.000 0.689 282 N CB -1.129 37.092 38.487 -0.443 0.000 0.882 282 N HN 1.147 nan 8.380 nan 0.000 0.554 283 G N -0.963 107.741 108.800 -0.160 0.000 3.078 283 G HA2 -0.399 3.562 3.960 0.001 0.000 0.227 283 G HA3 -0.399 3.562 3.960 0.001 0.000 0.227 283 G C 0.226 175.068 174.900 -0.097 0.000 1.306 283 G CA 1.012 46.047 45.100 -0.109 0.000 0.841 283 G HN 1.447 nan 8.290 nan 0.000 0.530 284 S N 2.792 118.441 115.700 -0.085 0.000 2.565 284 S HA 0.584 5.054 4.470 0.001 0.000 0.276 284 S C -2.235 172.315 174.600 -0.083 0.000 1.326 284 S CA -0.906 57.256 58.200 -0.064 0.000 1.045 284 S CB 1.768 64.946 63.200 -0.036 0.000 0.918 284 S HN 0.446 nan 8.310 nan 0.000 0.505 285 P HA 0.480 nan 4.420 nan 0.000 0.269 285 P C -0.664 176.570 177.300 -0.110 0.000 1.215 285 P CA -0.063 62.974 63.100 -0.103 0.000 0.780 285 P CB 0.493 32.153 31.700 -0.067 0.000 0.898 286 A N 0.787 123.511 122.820 -0.159 0.000 2.566 286 A HA 0.679 5.000 4.320 0.001 0.000 0.290 286 A C -0.625 176.869 177.584 -0.149 0.000 1.071 286 A CA -0.139 51.813 52.037 -0.142 0.000 0.658 286 A CB 0.632 19.547 19.000 -0.140 0.000 1.285 286 A HN 0.528 nan 8.150 nan 0.000 0.427 287 S N -0.838 114.819 115.700 -0.071 0.000 3.132 287 S HA 1.026 5.497 4.470 0.001 0.000 0.322 287 S C 0.244 174.877 174.600 0.054 0.000 1.124 287 S CA 0.055 58.248 58.200 -0.011 0.000 0.906 287 S CB 1.054 64.272 63.200 0.031 0.000 1.349 287 S HN 2.758 nan 8.310 nan 0.000 0.686 288 G N -0.472 108.388 108.800 0.100 0.000 2.317 288 G HA2 0.424 4.385 3.960 0.001 0.000 0.293 288 G HA3 0.424 4.385 3.960 0.001 0.000 0.293 288 G C -2.087 172.831 174.900 0.031 0.000 1.287 288 G CA -0.560 44.554 45.100 0.023 0.000 0.850 288 G HN 1.039 nan 8.290 nan 0.000 0.515 289 I N 0.005 120.543 120.570 -0.053 0.000 2.509 289 I HA 0.690 4.860 4.170 0.001 0.000 0.293 289 I C 0.346 176.412 176.117 -0.085 0.000 1.020 289 I CA -1.164 60.099 61.300 -0.062 0.000 1.088 289 I CB 2.245 40.170 38.000 -0.125 0.000 1.267 289 I HN 0.752 nan 8.210 nan 0.000 0.430 290 A N 7.449 130.206 122.820 -0.105 0.000 2.280 290 A HA 0.726 5.046 4.320 0.001 0.000 0.320 290 A C -0.350 177.298 177.584 0.107 0.000 1.366 290 A CA -0.400 51.496 52.037 -0.234 0.000 0.938 290 A CB 0.046 18.574 19.000 -0.787 0.000 1.157 290 A HN 0.690 nan 8.150 nan 0.000 0.536 291 I N 1.985 122.669 120.570 0.189 0.000 2.440 291 I HA 0.317 4.487 4.170 0.001 0.000 0.294 291 I C 0.322 176.653 176.117 0.356 0.000 0.995 291 I CA -0.331 61.144 61.300 0.292 0.000 1.306 291 I CB 1.612 39.739 38.000 0.211 0.000 1.407 291 I HN 0.558 nan 8.210 nan 0.000 0.501 292 K N 4.931 125.494 120.400 0.271 0.000 2.259 292 K HA 0.461 4.782 4.320 0.001 0.000 0.249 292 K C -0.956 175.712 176.600 0.113 0.000 0.942 292 K CA -0.940 55.447 56.287 0.168 0.000 0.816 292 K CB 2.324 34.866 32.500 0.069 0.000 1.155 292 K HN 0.413 nan 8.250 nan 0.000 0.428 293 L N 2.927 124.200 121.223 0.084 0.000 2.410 293 L HA 0.170 4.511 4.340 0.001 0.000 0.273 293 L C -0.144 176.748 176.870 0.038 0.000 1.144 293 L CA 0.236 55.114 54.840 0.064 0.000 0.863 293 L CB 0.585 42.676 42.059 0.055 0.000 1.140 293 L HN 0.821 nan 8.230 nan 0.000 0.463 294 A N 3.959 126.801 122.820 0.037 0.000 2.546 294 A HA 0.081 4.401 4.320 0.001 0.000 0.243 294 A C 0.727 178.316 177.584 0.009 0.000 1.063 294 A CA 0.335 52.383 52.037 0.018 0.000 0.757 294 A CB -0.156 18.856 19.000 0.021 0.000 0.991 294 A HN 0.833 nan 8.150 nan 0.000 0.503 295 T N 1.760 116.312 114.554 -0.003 0.000 2.778 295 T HA 0.393 4.743 4.350 0.001 0.000 0.282 295 T C 1.434 176.134 174.700 -0.001 0.000 0.983 295 T CA 1.482 63.578 62.100 -0.006 0.000 1.193 295 T CB -0.574 68.284 68.868 -0.017 0.000 0.938 295 T HN 2.403 nan 8.240 nan 0.000 0.523 296 G N 2.760 111.562 108.800 0.003 0.000 2.176 296 G HA2 -0.006 3.955 3.960 0.001 0.000 0.232 296 G HA3 -0.006 3.955 3.960 0.001 0.000 0.232 296 G C 0.335 175.241 174.900 0.011 0.000 0.986 296 G CA -0.019 45.085 45.100 0.007 0.000 0.643 296 G HN 1.354 nan 8.290 nan 0.000 0.522 297 A N -0.352 122.476 122.820 0.012 0.000 2.240 297 A HA 0.712 5.033 4.320 0.001 0.000 0.292 297 A C 0.363 177.956 177.584 0.014 0.000 1.121 297 A CA 0.031 52.076 52.037 0.014 0.000 0.851 297 A CB 0.502 19.514 19.000 0.020 0.000 1.167 297 A HN 0.507 nan 8.150 nan 0.000 0.503 298 N N -0.005 118.702 118.700 0.011 0.000 2.485 298 N HA 0.359 5.100 4.740 0.001 0.000 0.243 298 N C 0.790 176.306 175.510 0.010 0.000 0.987 298 N CA 0.346 53.399 53.050 0.006 0.000 0.940 298 N CB 1.394 39.879 38.487 -0.003 0.000 1.122 298 N HN 0.594 nan 8.380 nan 0.000 0.509 299 A N 4.606 127.432 122.820 0.011 0.000 2.032 299 A HA -0.128 4.193 4.320 0.001 0.000 0.221 299 A C 1.922 179.514 177.584 0.012 0.000 1.165 299 A CA 1.130 53.178 52.037 0.018 0.000 0.645 299 A CB -0.221 18.788 19.000 0.015 0.000 0.807 299 A HN 0.735 nan 8.150 nan 0.000 0.453 300 L N -1.046 120.178 121.223 0.002 0.000 2.022 300 L HA -0.102 4.239 4.340 0.001 0.000 0.204 300 L C 2.155 179.025 176.870 -0.000 0.000 1.076 300 L CA 1.484 56.322 54.840 -0.002 0.000 0.749 300 L CB -1.101 40.951 42.059 -0.013 0.000 0.903 300 L HN 0.221 nan 8.230 nan 0.000 0.439 301 D N -0.442 119.958 120.400 -0.001 0.000 2.158 301 D HA -0.214 4.427 4.640 0.001 0.000 0.197 301 D C 2.082 178.387 176.300 0.008 0.000 0.995 301 D CA 1.789 55.790 54.000 0.001 0.000 0.846 301 D CB -0.320 40.480 40.800 -0.000 0.000 0.941 301 D HN 0.178 nan 8.370 nan 0.000 0.456 302 T N -0.923 113.640 114.554 0.015 0.000 2.904 302 T HA 0.034 4.384 4.350 0.001 0.000 0.267 302 T C 1.872 176.589 174.700 0.030 0.000 1.059 302 T CA 1.205 63.322 62.100 0.027 0.000 1.137 302 T CB -0.237 68.654 68.868 0.037 0.000 0.879 302 T HN 0.147 nan 8.240 nan 0.000 0.467 303 A N 1.289 124.122 122.820 0.021 0.000 1.898 303 A HA -0.003 4.317 4.320 0.001 0.000 0.216 303 A C 2.319 179.893 177.584 -0.017 0.000 1.181 303 A CA 1.472 53.515 52.037 0.010 0.000 0.620 303 A CB -0.446 18.554 19.000 -0.000 0.000 0.819 303 A HN 0.543 nan 8.150 nan 0.000 0.442 304 K N -0.294 120.096 120.400 -0.017 0.000 2.097 304 K HA -0.092 4.228 4.320 0.001 0.000 0.206 304 K C 2.284 178.879 176.600 -0.008 0.000 1.049 304 K CA 1.103 57.376 56.287 -0.024 0.000 0.933 304 K CB -0.285 32.207 32.500 -0.014 0.000 0.717 304 K HN 0.464 nan 8.250 nan 0.000 0.442 305 A N 2.080 124.904 122.820 0.008 0.000 1.855 305 A HA -0.094 4.227 4.320 0.001 0.000 0.215 305 A C 1.919 179.522 177.584 0.030 0.000 1.191 305 A CA 1.152 53.200 52.037 0.019 0.000 0.613 305 A CB -0.649 18.366 19.000 0.024 0.000 0.829 305 A HN 0.447 nan 8.150 nan 0.000 0.442 306 I N -3.573 117.023 120.570 0.042 0.000 3.535 306 I HA 0.192 4.363 4.170 0.001 0.000 0.307 306 I C 1.378 177.551 176.117 0.092 0.000 1.200 306 I CA 0.792 62.131 61.300 0.066 0.000 1.193 306 I CB -0.273 37.777 38.000 0.084 0.000 1.003 306 I HN 0.271 nan 8.210 nan 0.000 0.505 307 R N 0.609 121.139 120.500 0.050 0.000 2.437 307 R HA 0.056 4.396 4.340 0.001 0.000 0.184 307 R C 2.177 178.507 176.300 0.051 0.000 0.850 307 R CA 0.380 56.498 56.100 0.030 0.000 1.073 307 R CB -0.042 30.188 30.300 -0.116 0.000 1.336 307 R HN 0.414 nan 8.270 nan 0.000 0.640 308 Q N 0.034 119.850 119.800 0.027 0.000 2.167 308 Q HA -0.089 4.252 4.340 0.001 0.000 0.202 308 Q C 0.980 177.008 176.000 0.046 0.000 0.970 308 Q CA 1.957 57.781 55.803 0.034 0.000 0.855 308 Q CB 0.176 28.927 28.738 0.021 0.000 0.911 308 Q HN 0.196 nan 8.270 nan 0.000 0.438 309 T N 1.819 116.399 114.554 0.044 0.000 2.701 309 T HA -0.088 4.263 4.350 0.001 0.000 0.263 309 T C 1.360 176.085 174.700 0.043 0.000 1.040 309 T CA 1.383 63.504 62.100 0.035 0.000 1.147 309 T CB -0.222 68.661 68.868 0.024 0.000 0.865 309 T HN 0.561 nan 8.240 nan 0.000 0.426 310 I N -0.811 119.798 120.570 0.066 0.000 3.702 310 I HA 0.565 4.735 4.170 0.001 0.000 0.305 310 I C 1.096 177.275 176.117 0.104 0.000 1.346 310 I CA -0.246 61.097 61.300 0.071 0.000 1.258 310 I CB -0.428 37.607 38.000 0.059 0.000 1.121 310 I HN 0.080 nan 8.210 nan 0.000 0.437 311 A N 1.508 124.384 122.820 0.093 0.000 2.295 311 A HA 0.199 4.520 4.320 0.001 0.000 0.193 311 A C 1.376 179.017 177.584 0.096 0.000 1.512 311 A CA -0.211 51.884 52.037 0.097 0.000 1.103 311 A CB -0.128 18.924 19.000 0.087 0.000 1.331 311 A HN 0.487 nan 8.150 nan 0.000 0.501 312 N N 0.071 118.823 118.700 0.085 0.000 2.434 312 N HA 0.222 4.962 4.740 0.001 0.000 0.196 312 N C 0.530 176.117 175.510 0.129 0.000 1.183 312 N CA 0.316 53.426 53.050 0.101 0.000 0.849 312 N CB 0.225 38.748 38.487 0.061 0.000 0.992 312 N HN 0.400 nan 8.380 nan 0.000 0.460 313 L N -0.740 120.564 121.223 0.135 0.000 2.948 313 L HA 0.156 4.496 4.340 0.001 0.000 0.259 313 L C 1.626 178.636 176.870 0.234 0.000 1.136 313 L CA 0.128 55.062 54.840 0.156 0.000 0.959 313 L CB 0.361 42.459 42.059 0.065 0.000 1.370 313 L HN -0.003 nan 8.230 nan 0.000 0.552 314 E N 1.053 121.353 120.200 0.168 0.000 2.153 314 E HA -0.178 4.173 4.350 0.001 0.000 0.194 314 E C -0.800 175.874 176.600 0.124 0.000 0.988 314 E CA 1.088 57.562 56.400 0.122 0.000 0.811 314 E CB -0.511 29.237 29.700 0.080 0.000 0.746 314 E HN 0.413 nan 8.360 nan 0.000 0.466 315 P HA -0.166 nan 4.420 nan 0.000 0.214 315 P C 0.839 178.142 177.300 0.005 0.000 1.163 315 P CA 1.220 64.337 63.100 0.027 0.000 0.883 315 P CB -0.071 31.602 31.700 -0.045 0.000 0.788 316 F N -1.792 118.189 119.950 0.052 0.000 2.293 316 F HA -0.015 4.513 4.527 0.001 0.000 0.300 316 F C 1.567 177.428 175.800 0.102 0.000 1.086 316 F CA 0.556 58.601 58.000 0.074 0.000 1.375 316 F CB -1.288 37.763 39.000 0.084 0.000 1.045 316 F HN -0.138 nan 8.300 nan 0.000 0.516 317 M N 1.374 121.134 119.600 0.267 0.000 2.249 317 M HA 0.081 4.562 4.480 0.001 0.000 0.340 317 M C -1.852 174.449 176.300 0.002 0.000 1.166 317 M CA -1.533 53.829 55.300 0.104 0.000 1.115 317 M CB -0.232 32.358 32.600 -0.017 0.000 1.606 317 M HN -0.250 nan 8.290 nan 0.000 0.448 318 P HA -0.025 nan 4.420 nan 0.000 0.272 318 P C -0.726 176.536 177.300 -0.064 0.000 1.243 318 P CA -0.030 63.036 63.100 -0.055 0.000 0.803 318 P CB 0.369 32.011 31.700 -0.096 0.000 0.974 319 Q N -0.245 119.532 119.800 -0.038 0.000 2.392 319 Q HA 0.287 4.627 4.340 0.001 0.000 0.262 319 Q C 1.360 177.332 176.000 -0.048 0.000 1.003 319 Q CA 1.024 56.806 55.803 -0.034 0.000 0.888 319 Q CB -0.037 28.689 28.738 -0.020 0.000 1.260 319 Q HN 0.820 nan 8.270 nan 0.000 0.435 320 G N 1.640 110.415 108.800 -0.041 0.000 2.304 320 G HA2 -0.273 3.687 3.960 0.001 0.000 0.252 320 G HA3 -0.273 3.687 3.960 0.001 0.000 0.252 320 G C 0.322 175.185 174.900 -0.062 0.000 1.014 320 G CA -0.082 44.993 45.100 -0.042 0.000 0.619 320 G HN 0.513 nan 8.290 nan 0.000 0.525 321 M N 1.662 121.205 119.600 -0.094 0.000 2.685 321 M HA 0.239 4.720 4.480 0.001 0.000 0.316 321 M C -0.023 176.222 176.300 -0.092 0.000 1.523 321 M CA 0.618 55.837 55.300 -0.136 0.000 1.472 321 M CB 0.275 32.736 32.600 -0.232 0.000 1.525 321 M HN 0.025 nan 8.290 nan 0.000 0.471 322 K N 2.510 122.866 120.400 -0.072 0.000 2.221 322 K HA 0.559 4.879 4.320 0.001 0.000 0.258 322 K C -0.793 175.751 176.600 -0.094 0.000 0.944 322 K CA -0.661 55.595 56.287 -0.052 0.000 0.823 322 K CB 2.495 34.988 32.500 -0.012 0.000 1.113 322 K HN 0.267 nan 8.250 nan 0.000 0.431 323 V N 3.209 123.060 119.914 -0.105 0.000 2.439 323 V HA 0.349 4.470 4.120 0.001 0.000 0.282 323 V C 0.038 175.967 176.094 -0.275 0.000 1.039 323 V CA -0.782 61.388 62.300 -0.216 0.000 0.913 323 V CB 1.588 33.282 31.823 -0.215 0.000 0.983 323 V HN 0.425 nan 8.190 nan 0.000 0.460 324 V N 4.177 123.833 119.914 -0.429 0.000 2.919 324 V HA 0.503 4.623 4.120 0.001 0.000 0.316 324 V C -1.131 174.620 176.094 -0.572 0.000 1.077 324 V CA -0.863 61.206 62.300 -0.385 0.000 0.977 324 V CB 1.933 33.439 31.823 -0.529 0.000 1.039 324 V HN 0.740 nan 8.190 nan 0.000 0.441 325 Y N 1.299 121.547 120.300 -0.087 0.000 2.562 325 Y HA 0.363 4.914 4.550 0.001 0.000 0.363 325 Y C -1.816 174.067 175.900 -0.027 0.000 0.991 325 Y CA -1.830 56.235 58.100 -0.058 0.000 1.121 325 Y CB 0.362 38.805 38.460 -0.027 0.000 1.159 325 Y HN 0.502 nan 8.280 nan 0.000 0.651 326 P HA -0.263 nan 4.420 nan 0.000 0.212 326 P C -0.129 177.258 177.300 0.145 0.000 1.174 326 P CA 1.657 64.826 63.100 0.115 0.000 0.934 326 P CB 0.155 31.865 31.700 0.017 0.000 0.791 327 Y N -0.212 120.077 120.300 -0.019 0.000 2.341 327 Y HA 0.524 5.074 4.550 0.001 0.000 0.337 327 Y C -0.781 175.145 175.900 0.043 0.000 1.014 327 Y CA -0.858 57.244 58.100 0.003 0.000 1.111 327 Y CB 0.977 39.410 38.460 -0.045 0.000 1.194 327 Y HN -0.163 nan 8.280 nan 0.000 0.462 328 D N 3.177 123.358 120.400 -0.365 0.000 2.977 328 D HA 0.147 4.787 4.640 0.001 0.000 0.220 328 D C -0.423 175.700 176.300 -0.296 0.000 1.267 328 D CA -0.256 53.633 54.000 -0.185 0.000 0.884 328 D CB 2.580 43.349 40.800 -0.051 0.000 1.667 328 D HN 0.632 nan 8.370 nan 0.000 0.536 329 T N 0.895 115.367 114.554 -0.137 0.000 3.037 329 T HA -0.033 4.317 4.350 0.001 0.000 0.252 329 T C 1.763 176.455 174.700 -0.014 0.000 1.073 329 T CA 1.625 63.677 62.100 -0.080 0.000 1.091 329 T CB 0.110 69.006 68.868 0.048 0.000 0.935 329 T HN 0.556 nan 8.240 nan 0.000 0.488 330 T N 1.433 115.987 114.554 -0.000 0.000 2.849 330 T HA -0.031 4.320 4.350 0.001 0.000 0.270 330 T C -0.739 173.981 174.700 0.033 0.000 1.066 330 T CA 0.912 63.019 62.100 0.013 0.000 1.130 330 T CB -1.050 67.823 68.868 0.010 0.000 0.864 330 T HN 0.286 nan 8.240 nan 0.000 0.481 331 P HA -0.070 nan 4.420 nan 0.000 0.212 331 P C 1.875 179.240 177.300 0.109 0.000 1.178 331 P CA 0.870 64.034 63.100 0.107 0.000 0.915 331 P CB -0.399 31.404 31.700 0.172 0.000 0.788 332 V N -0.498 119.484 119.914 0.114 0.000 2.343 332 V HA -0.205 3.916 4.120 0.001 0.000 0.247 332 V C 2.497 178.605 176.094 0.023 0.000 1.051 332 V CA 1.795 64.126 62.300 0.050 0.000 1.036 332 V CB -1.182 30.686 31.823 0.075 0.000 0.654 332 V HN -0.060 nan 8.190 nan 0.000 0.451 333 V N -0.775 119.146 119.914 0.012 0.000 2.343 333 V HA -0.260 3.861 4.120 0.001 0.000 0.247 333 V C 2.593 178.693 176.094 0.010 0.000 1.051 333 V CA 2.348 64.645 62.300 -0.005 0.000 1.036 333 V CB -0.776 31.034 31.823 -0.022 0.000 0.654 333 V HN 0.585 nan 8.190 nan 0.000 0.451 334 S N -0.460 115.261 115.700 0.035 0.000 2.368 334 S HA -0.146 4.324 4.470 0.001 0.000 0.224 334 S C 2.163 176.852 174.600 0.148 0.000 1.029 334 S CA 1.493 59.731 58.200 0.062 0.000 0.988 334 S CB -0.331 62.942 63.200 0.120 0.000 0.838 334 S HN 0.616 nan 8.310 nan 0.000 0.462 335 A N 1.396 124.295 122.820 0.131 0.000 1.851 335 A HA -0.076 4.245 4.320 0.001 0.000 0.216 335 A C 2.176 179.802 177.584 0.069 0.000 1.195 335 A CA 2.173 54.277 52.037 0.110 0.000 0.622 335 A CB -1.200 17.784 19.000 -0.027 0.000 0.831 335 A HN 0.770 nan 8.150 nan 0.000 0.444 336 S N -0.307 115.414 115.700 0.034 0.000 2.803 336 S HA 0.158 4.629 4.470 0.001 0.000 0.226 336 S C 0.993 175.559 174.600 -0.055 0.000 0.962 336 S CA 0.857 59.067 58.200 0.017 0.000 0.968 336 S CB -0.723 62.577 63.200 0.166 0.000 0.786 336 S HN 0.949 nan 8.310 nan 0.000 0.527 337 I N -4.085 116.457 120.570 -0.046 0.000 4.442 337 I HA 0.454 4.624 4.170 0.001 0.000 0.331 337 I C 1.110 177.140 176.117 -0.145 0.000 1.364 337 I CA -0.411 60.832 61.300 -0.094 0.000 1.207 337 I CB 0.111 38.056 38.000 -0.092 0.000 1.298 337 I HN -0.002 nan 8.210 nan 0.000 0.463 338 H N 1.595 120.644 119.070 -0.036 0.000 2.344 338 H HA 0.211 4.768 4.556 0.001 0.000 0.307 338 H C 1.001 176.306 175.328 -0.039 0.000 1.057 338 H CA 1.205 57.235 56.048 -0.030 0.000 1.373 338 H CB 0.345 30.092 29.762 -0.025 0.000 1.421 338 H HN 0.312 nan 8.280 nan 0.000 0.532 339 E N 0.943 121.189 120.200 0.076 0.000 2.357 339 E HA -0.030 4.321 4.350 0.001 0.000 0.194 339 E C 0.291 176.850 176.600 -0.069 0.000 1.177 339 E CA 0.039 56.441 56.400 0.003 0.000 0.998 339 E CB 0.422 30.116 29.700 -0.009 0.000 1.106 339 E HN 0.299 nan 8.360 nan 0.000 0.470 340 V N -1.248 118.631 119.914 -0.058 0.000 3.161 340 V HA -0.111 4.010 4.120 0.001 0.000 0.221 340 V C 1.898 177.987 176.094 -0.008 0.000 1.296 340 V CA 0.175 62.431 62.300 -0.073 0.000 1.306 340 V CB 0.348 32.109 31.823 -0.104 0.000 1.171 340 V HN 0.079 nan 8.190 nan 0.000 0.513 341 V N 1.400 121.316 119.914 0.004 0.000 2.546 341 V HA -0.295 3.826 4.120 0.001 0.000 0.254 341 V C 2.333 178.448 176.094 0.034 0.000 1.076 341 V CA 2.593 64.908 62.300 0.024 0.000 1.087 341 V CB -0.726 31.103 31.823 0.010 0.000 0.674 341 V HN 0.565 nan 8.190 nan 0.000 0.470 342 K N 0.855 121.277 120.400 0.035 0.000 1.980 342 K HA -0.177 4.144 4.320 0.001 0.000 0.208 342 K C 2.249 178.869 176.600 0.034 0.000 1.043 342 K CA 1.961 58.271 56.287 0.037 0.000 0.938 342 K CB -0.461 32.062 32.500 0.039 0.000 0.724 342 K HN 0.585 nan 8.250 nan 0.000 0.438 343 T N -0.444 114.127 114.554 0.029 0.000 3.098 343 T HA -0.038 4.312 4.350 0.001 0.000 0.266 343 T C 1.870 176.603 174.700 0.056 0.000 1.145 343 T CA 0.708 62.831 62.100 0.040 0.000 1.092 343 T CB -0.122 68.766 68.868 0.032 0.000 0.908 343 T HN 0.174 nan 8.240 nan 0.000 0.526 344 L N 0.422 121.674 121.223 0.048 0.000 2.130 344 L HA 0.290 4.631 4.340 0.001 0.000 0.200 344 L C 3.170 180.075 176.870 0.058 0.000 1.075 344 L CA 0.973 55.847 54.840 0.057 0.000 0.768 344 L CB -1.014 41.078 42.059 0.054 0.000 0.933 344 L HN 0.412 nan 8.230 nan 0.000 0.451 345 G N 0.623 109.452 108.800 0.048 0.000 2.469 345 G HA2 -0.306 3.655 3.960 0.001 0.000 0.219 345 G HA3 -0.306 3.655 3.960 0.001 0.000 0.219 345 G C 1.356 176.284 174.900 0.047 0.000 1.150 345 G CA 1.128 46.253 45.100 0.042 0.000 0.763 345 G HN 0.615 nan 8.290 nan 0.000 0.561 346 E N 0.571 120.802 120.200 0.051 0.000 2.208 346 E HA 0.192 4.543 4.350 0.001 0.000 0.193 346 E C 2.557 179.207 176.600 0.083 0.000 0.988 346 E CA 0.801 57.237 56.400 0.059 0.000 0.828 346 E CB -0.327 29.404 29.700 0.051 0.000 0.763 346 E HN 0.335 nan 8.360 nan 0.000 0.478 347 A N 2.816 125.690 122.820 0.090 0.000 1.865 347 A HA -0.172 4.149 4.320 0.001 0.000 0.217 347 A C 2.409 180.062 177.584 0.113 0.000 1.191 347 A CA 1.737 53.843 52.037 0.115 0.000 0.623 347 A CB -0.908 18.162 19.000 0.118 0.000 0.826 347 A HN 0.542 nan 8.150 nan 0.000 0.444 348 I N -2.221 118.407 120.570 0.097 0.000 2.614 348 I HA -0.097 4.074 4.170 0.001 0.000 0.258 348 I C 2.002 178.202 176.117 0.138 0.000 1.189 348 I CA 0.953 62.317 61.300 0.107 0.000 1.462 348 I CB -0.090 37.961 38.000 0.084 0.000 1.092 348 I HN 0.297 nan 8.210 nan 0.000 0.442 349 L N 1.381 122.670 121.223 0.110 0.000 1.973 349 L HA -0.151 4.189 4.340 0.001 0.000 0.208 349 L C 2.503 179.496 176.870 0.206 0.000 1.073 349 L CA 2.127 57.037 54.840 0.117 0.000 0.746 349 L CB -0.904 41.194 42.059 0.065 0.000 0.891 349 L HN 0.376 nan 8.230 nan 0.000 0.433 350 L N -0.716 120.604 121.223 0.162 0.000 2.129 350 L HA -0.267 4.073 4.340 0.001 0.000 0.212 350 L C 2.573 179.553 176.870 0.184 0.000 1.087 350 L CA 0.916 55.856 54.840 0.166 0.000 0.757 350 L CB -0.580 41.561 42.059 0.136 0.000 0.896 350 L HN 0.147 nan 8.230 nan 0.000 0.434 351 V N -0.426 119.597 119.914 0.181 0.000 2.307 351 V HA -0.319 3.801 4.120 0.001 0.000 0.245 351 V C 2.190 178.402 176.094 0.196 0.000 1.045 351 V CA 2.024 64.420 62.300 0.159 0.000 1.024 351 V CB -0.555 31.345 31.823 0.129 0.000 0.651 351 V HN 0.451 nan 8.190 nan 0.000 0.449 352 F N 0.195 120.206 119.950 0.101 0.000 2.154 352 F HA -0.224 4.304 4.527 0.001 0.000 0.301 352 F C 1.922 177.815 175.800 0.155 0.000 1.087 352 F CA 1.735 59.814 58.000 0.131 0.000 1.274 352 F CB -0.140 38.941 39.000 0.134 0.000 1.009 352 F HN 0.053 nan 8.300 nan 0.000 0.485 353 L N -0.307 121.062 121.223 0.243 0.000 1.982 353 L HA -0.167 4.173 4.340 0.001 0.000 0.206 353 L C 2.440 179.346 176.870 0.061 0.000 1.078 353 L CA 1.147 56.049 54.840 0.103 0.000 0.749 353 L CB -1.131 41.047 42.059 0.198 0.000 0.894 353 L HN -0.054 nan 8.230 nan 0.000 0.436 354 V N -0.294 119.694 119.914 0.122 0.000 2.660 354 V HA -0.320 3.800 4.120 0.001 0.000 0.257 354 V C 2.376 178.565 176.094 0.159 0.000 1.088 354 V CA 1.651 64.054 62.300 0.171 0.000 1.106 354 V CB -0.542 31.386 31.823 0.175 0.000 0.686 354 V HN 0.390 nan 8.190 nan 0.000 0.481 355 M N -0.854 118.781 119.600 0.058 0.000 2.081 355 M HA -0.099 4.382 4.480 0.001 0.000 0.261 355 M C 2.036 178.299 176.300 -0.061 0.000 1.075 355 M CA 1.844 57.140 55.300 -0.006 0.000 1.133 355 M CB -0.739 31.841 32.600 -0.034 0.000 1.330 355 M HN 0.355 nan 8.290 nan 0.000 0.414 356 Y N 0.115 120.244 120.300 -0.284 0.000 2.081 356 Y HA -0.308 4.243 4.550 0.001 0.000 0.280 356 Y C 2.203 177.985 175.900 -0.197 0.000 1.163 356 Y CA 2.200 60.080 58.100 -0.366 0.000 1.135 356 Y CB -0.349 37.775 38.460 -0.560 0.000 0.970 356 Y HN 0.233 nan 8.280 nan 0.000 0.498 357 L N -0.862 120.425 121.223 0.106 0.000 1.965 357 L HA -0.359 3.982 4.340 0.001 0.000 0.226 357 L C 2.206 178.948 176.870 -0.215 0.000 1.083 357 L CA 2.331 57.130 54.840 -0.068 0.000 0.790 357 L CB -0.737 41.171 42.059 -0.252 0.000 0.898 357 L HN 0.280 nan 8.230 nan 0.000 0.439 358 F N -0.634 119.222 119.950 -0.155 0.000 2.407 358 F HA -0.027 4.500 4.527 0.001 0.000 0.299 358 F C 1.435 177.129 175.800 -0.176 0.000 1.097 358 F CA 0.321 58.239 58.000 -0.137 0.000 1.422 358 F CB -0.066 38.820 39.000 -0.190 0.000 1.067 358 F HN 0.037 nan 8.300 nan 0.000 0.539 359 L N -1.519 119.654 121.223 -0.084 0.000 2.558 359 L HA 0.325 4.666 4.340 0.001 0.000 0.260 359 L C 0.835 177.428 176.870 -0.462 0.000 1.130 359 L CA -0.669 54.036 54.840 -0.225 0.000 1.049 359 L CB 0.752 42.682 42.059 -0.216 0.000 1.758 359 L HN -0.162 nan 8.230 nan 0.000 0.555 360 Q N -0.807 118.678 119.800 -0.525 0.000 2.517 360 Q HA 0.193 4.533 4.340 0.001 0.000 0.188 360 Q C -0.303 175.191 176.000 -0.842 0.000 0.736 360 Q CA -0.567 54.798 55.803 -0.729 0.000 0.834 360 Q CB 0.222 28.687 28.738 -0.455 0.000 1.198 360 Q HN 0.448 nan 8.270 nan 0.000 0.596 361 N N 1.906 120.328 118.700 -0.463 0.000 2.131 361 N HA -0.116 4.625 4.740 0.001 0.000 0.276 361 N C -0.006 175.321 175.510 -0.306 0.000 1.295 361 N CA 0.575 53.453 53.050 -0.286 0.000 0.818 361 N CB 0.178 38.583 38.487 -0.136 0.000 1.049 361 N HN 0.193 nan 8.380 nan 0.000 0.484 362 F N 1.387 121.290 119.950 -0.078 0.000 2.451 362 F HA -0.083 4.445 4.527 0.001 0.000 0.299 362 F C 2.073 177.921 175.800 0.081 0.000 1.101 362 F CA 0.648 58.712 58.000 0.106 0.000 1.436 362 F CB 0.219 39.350 39.000 0.218 0.000 1.074 362 F HN 0.452 nan 8.300 nan 0.000 0.553 363 R N -0.094 120.519 120.500 0.187 0.000 2.057 363 R HA -0.090 4.250 4.340 0.001 0.000 0.229 363 R C 2.511 178.861 176.300 0.083 0.000 1.136 363 R CA 1.163 57.342 56.100 0.130 0.000 0.952 363 R CB -0.787 29.562 30.300 0.082 0.000 0.848 363 R HN 0.210 nan 8.270 nan 0.000 0.430 364 A N 0.264 123.090 122.820 0.011 0.000 2.032 364 A HA -0.185 4.135 4.320 0.001 0.000 0.221 364 A C 2.101 179.697 177.584 0.019 0.000 1.165 364 A CA 1.917 53.945 52.037 -0.015 0.000 0.645 364 A CB -0.798 18.154 19.000 -0.080 0.000 0.807 364 A HN 0.283 nan 8.150 nan 0.000 0.453 365 T N -0.193 114.394 114.554 0.056 0.000 2.915 365 T HA -0.017 4.334 4.350 0.001 0.000 0.269 365 T C 1.699 176.538 174.700 0.231 0.000 1.071 365 T CA 0.919 63.103 62.100 0.142 0.000 1.132 365 T CB -0.214 68.790 68.868 0.226 0.000 0.878 365 T HN 0.286 nan 8.240 nan 0.000 0.479 366 L N 0.929 122.273 121.223 0.202 0.000 2.109 366 L HA -0.009 4.331 4.340 0.001 0.000 0.207 366 L C 2.334 179.281 176.870 0.130 0.000 1.086 366 L CA 1.123 56.075 54.840 0.186 0.000 0.760 366 L CB -0.874 41.289 42.059 0.173 0.000 0.910 366 L HN 0.298 nan 8.230 nan 0.000 0.437 367 I N 1.160 121.781 120.570 0.085 0.000 2.052 367 I HA -0.229 3.941 4.170 0.001 0.000 0.235 367 I C -0.044 176.093 176.117 0.032 0.000 1.046 367 I CA 1.798 63.120 61.300 0.035 0.000 1.308 367 I CB -2.924 35.078 38.000 0.002 0.000 1.031 367 I HN 0.169 nan 8.210 nan 0.000 0.395 368 P HA -0.081 nan 4.420 nan 0.000 0.221 368 P C 1.605 178.943 177.300 0.063 0.000 1.145 368 P CA 1.400 64.523 63.100 0.037 0.000 0.795 368 P CB -0.215 31.513 31.700 0.045 0.000 0.775 369 T N -1.334 113.280 114.554 0.100 0.000 3.023 369 T HA 0.056 4.406 4.350 0.001 0.000 0.266 369 T C 1.604 176.358 174.700 0.091 0.000 1.093 369 T CA 0.790 62.956 62.100 0.111 0.000 1.129 369 T CB -0.469 68.489 68.868 0.151 0.000 0.899 369 T HN 0.109 nan 8.240 nan 0.000 0.491 370 I N 0.829 121.449 120.570 0.083 0.000 2.512 370 I HA 0.104 4.275 4.170 0.001 0.000 0.247 370 I C 2.792 178.926 176.117 0.029 0.000 1.094 370 I CA 0.531 61.880 61.300 0.082 0.000 1.427 370 I CB -0.376 37.685 38.000 0.103 0.000 1.149 370 I HN 0.091 nan 8.210 nan 0.000 0.438 371 A N 0.403 123.215 122.820 -0.014 0.000 2.178 371 A HA -0.061 4.260 4.320 0.001 0.000 0.218 371 A C 2.278 179.849 177.584 -0.023 0.000 1.157 371 A CA 1.208 53.217 52.037 -0.047 0.000 0.689 371 A CB -0.545 18.411 19.000 -0.073 0.000 0.787 371 A HN 0.271 nan 8.150 nan 0.000 0.465 372 V N -0.114 119.803 119.914 0.005 0.000 2.492 372 V HA -0.035 4.085 4.120 0.001 0.000 0.241 372 V C -0.445 175.663 176.094 0.022 0.000 1.041 372 V CA 1.593 63.897 62.300 0.008 0.000 1.057 372 V CB -0.854 30.981 31.823 0.019 0.000 0.711 372 V HN 0.312 nan 8.190 nan 0.000 0.468 373 P HA -0.131 nan 4.420 nan 0.000 0.217 373 P C 2.003 179.338 177.300 0.058 0.000 1.150 373 P CA 1.215 64.350 63.100 0.058 0.000 0.832 373 P CB -0.039 31.700 31.700 0.065 0.000 0.787 374 V N -0.182 119.759 119.914 0.046 0.000 2.392 374 V HA -0.208 3.913 4.120 0.001 0.000 0.249 374 V C 2.112 178.220 176.094 0.024 0.000 1.059 374 V CA 1.981 64.305 62.300 0.040 0.000 1.051 374 V CB -0.796 31.037 31.823 0.016 0.000 0.658 374 V HN -0.075 nan 8.190 nan 0.000 0.455 375 V N -0.534 119.382 119.914 0.003 0.000 2.719 375 V HA -0.121 4.000 4.120 0.001 0.000 0.252 375 V C 2.204 178.291 176.094 -0.013 0.000 1.065 375 V CA 1.561 63.851 62.300 -0.017 0.000 1.086 375 V CB -0.292 31.507 31.823 -0.040 0.000 0.700 375 V HN 0.455 nan 8.190 nan 0.000 0.467 376 L N -0.805 120.428 121.223 0.016 0.000 2.023 376 L HA -0.113 4.228 4.340 0.001 0.000 0.205 376 L C 2.432 179.386 176.870 0.140 0.000 1.073 376 L CA 1.473 56.330 54.840 0.028 0.000 0.745 376 L CB -0.507 41.599 42.059 0.079 0.000 0.900 376 L HN 0.249 nan 8.230 nan 0.000 0.435 377 L N -0.297 121.041 121.223 0.192 0.000 1.978 377 L HA -0.235 4.106 4.340 0.001 0.000 0.218 377 L C 2.665 179.666 176.870 0.219 0.000 1.075 377 L CA 1.808 56.799 54.840 0.251 0.000 0.767 377 L CB -1.374 40.766 42.059 0.135 0.000 0.890 377 L HN 0.392 nan 8.230 nan 0.000 0.434 378 G N -1.567 107.299 108.800 0.111 0.000 2.469 378 G HA2 -0.322 3.639 3.960 0.001 0.000 0.219 378 G HA3 -0.322 3.639 3.960 0.001 0.000 0.219 378 G C 1.575 176.508 174.900 0.055 0.000 1.150 378 G CA 1.396 46.541 45.100 0.074 0.000 0.763 378 G HN 0.298 nan 8.290 nan 0.000 0.561 379 T N 0.165 114.713 114.554 -0.010 0.000 2.778 379 T HA -0.120 4.231 4.350 0.001 0.000 0.269 379 T C 2.023 176.642 174.700 -0.135 0.000 1.050 379 T CA 1.275 63.304 62.100 -0.119 0.000 1.137 379 T CB -0.317 68.413 68.868 -0.229 0.000 0.860 379 T HN 0.304 nan 8.240 nan 0.000 0.468 380 F N 0.787 120.734 119.950 -0.004 0.000 2.146 380 F HA 0.095 4.622 4.527 0.001 0.000 0.298 380 F C 2.664 178.478 175.800 0.023 0.000 1.096 380 F CA 0.907 58.911 58.000 0.008 0.000 1.275 380 F CB -0.756 38.251 39.000 0.010 0.000 1.008 380 F HN 0.227 nan 8.300 nan 0.000 0.480 381 G N -0.013 108.914 108.800 0.211 0.000 2.469 381 G HA2 -0.243 3.718 3.960 0.001 0.000 0.219 381 G HA3 -0.243 3.718 3.960 0.001 0.000 0.219 381 G C 1.721 176.693 174.900 0.120 0.000 1.150 381 G CA 1.334 46.516 45.100 0.137 0.000 0.763 381 G HN 0.254 nan 8.290 nan 0.000 0.561 382 V N 0.959 120.932 119.914 0.098 0.000 2.407 382 V HA -0.130 3.991 4.120 0.001 0.000 0.248 382 V C 2.893 179.099 176.094 0.186 0.000 1.055 382 V CA 1.356 63.736 62.300 0.134 0.000 1.049 382 V CB -0.422 31.434 31.823 0.056 0.000 0.662 382 V HN 0.357 nan 8.190 nan 0.000 0.455 383 L N 0.094 121.369 121.223 0.087 0.000 2.017 383 L HA -0.168 4.173 4.340 0.001 0.000 0.208 383 L C 2.811 179.812 176.870 0.219 0.000 1.073 383 L CA 1.597 56.496 54.840 0.099 0.000 0.745 383 L CB -0.909 41.216 42.059 0.110 0.000 0.894 383 L HN 0.371 nan 8.230 nan 0.000 0.432 384 A N 0.348 123.280 122.820 0.187 0.000 1.865 384 A HA -0.265 4.055 4.320 0.001 0.000 0.217 384 A C 2.577 180.240 177.584 0.132 0.000 1.191 384 A CA 2.090 54.219 52.037 0.153 0.000 0.623 384 A CB -0.943 18.125 19.000 0.113 0.000 0.826 384 A HN 0.416 nan 8.150 nan 0.000 0.444 385 A N -1.410 121.474 122.820 0.107 0.000 1.927 385 A HA -0.156 4.164 4.320 0.001 0.000 0.220 385 A C 1.778 179.310 177.584 -0.087 0.000 1.185 385 A CA 1.881 53.914 52.037 -0.007 0.000 0.639 385 A CB -0.790 18.192 19.000 -0.031 0.000 0.820 385 A HN 0.537 nan 8.150 nan 0.000 0.451 386 F N -0.480 119.493 119.950 0.039 0.000 2.732 386 F HA 0.357 4.884 4.527 0.001 0.000 0.303 386 F C 1.694 177.663 175.800 0.282 0.000 1.110 386 F CA 0.388 58.445 58.000 0.095 0.000 1.355 386 F CB -0.167 38.781 39.000 -0.085 0.000 1.081 386 F HN 0.348 nan 8.300 nan 0.000 0.565 387 G N 0.780 109.779 108.800 0.332 0.000 2.338 387 G HA2 -0.317 3.644 3.960 0.001 0.000 0.296 387 G HA3 -0.317 3.644 3.960 0.001 0.000 0.296 387 G C -0.129 174.975 174.900 0.340 0.000 1.040 387 G CA -0.197 45.057 45.100 0.257 0.000 1.004 387 G HN 0.173 nan 8.290 nan 0.000 0.509 388 F N 0.264 120.276 119.950 0.103 0.000 2.461 388 F HA 0.804 5.331 4.527 0.001 0.000 0.332 388 F C 0.969 176.808 175.800 0.065 0.000 1.073 388 F CA -0.695 57.347 58.000 0.070 0.000 1.017 388 F CB 1.826 40.858 39.000 0.053 0.000 1.301 388 F HN 0.409 nan 8.300 nan 0.000 0.492 389 S N 0.141 115.953 115.700 0.187 0.000 2.600 389 S HA 0.662 5.132 4.470 0.001 0.000 0.300 389 S C -0.742 173.951 174.600 0.156 0.000 1.087 389 S CA -0.837 57.443 58.200 0.132 0.000 0.965 389 S CB 1.153 64.387 63.200 0.056 0.000 1.089 389 S HN 0.414 nan 8.310 nan 0.000 0.496 390 I N 3.977 124.634 120.570 0.145 0.000 2.471 390 I HA 0.200 4.371 4.170 0.001 0.000 0.294 390 I C 0.598 176.771 176.117 0.093 0.000 1.123 390 I CA 0.000 61.393 61.300 0.154 0.000 1.336 390 I CB -0.731 37.352 38.000 0.140 0.000 1.430 390 I HN 0.705 nan 8.210 nan 0.000 0.533 391 N N 2.455 121.210 118.700 0.092 0.000 2.902 391 N HA 0.182 4.923 4.740 0.001 0.000 0.268 391 N C 0.379 175.947 175.510 0.097 0.000 1.450 391 N CA -0.697 52.392 53.050 0.064 0.000 0.819 391 N CB 1.370 39.889 38.487 0.055 0.000 1.540 391 N HN 0.130 nan 8.380 nan 0.000 0.545 392 T N 0.152 114.764 114.554 0.097 0.000 2.759 392 T HA 0.011 4.361 4.350 0.001 0.000 0.269 392 T C 1.665 176.593 174.700 0.380 0.000 1.042 392 T CA 1.252 63.496 62.100 0.242 0.000 1.140 392 T CB -0.354 68.608 68.868 0.157 0.000 0.864 392 T HN 0.393 nan 8.240 nan 0.000 0.455 393 L N -0.267 121.058 121.223 0.170 0.000 2.270 393 L HA 0.037 4.377 4.340 0.001 0.000 0.210 393 L C 2.843 179.572 176.870 -0.236 0.000 1.104 393 L CA 0.992 55.737 54.840 -0.158 0.000 0.804 393 L CB -0.659 41.164 42.059 -0.394 0.000 0.937 393 L HN 0.237 nan 8.230 nan 0.000 0.450 394 T N -0.564 113.963 114.554 -0.045 0.000 2.985 394 T HA -0.042 4.309 4.350 0.001 0.000 0.266 394 T C 1.925 176.641 174.700 0.026 0.000 1.076 394 T CA 0.900 62.991 62.100 -0.014 0.000 1.135 394 T CB 0.115 69.027 68.868 0.073 0.000 0.890 394 T HN 0.044 nan 8.240 nan 0.000 0.480 395 M N -0.181 119.475 119.600 0.092 0.000 2.216 395 M HA 0.241 4.722 4.480 0.001 0.000 0.264 395 M C 1.833 178.168 176.300 0.058 0.000 1.080 395 M CA 0.950 56.283 55.300 0.055 0.000 1.153 395 M CB -1.491 31.125 32.600 0.026 0.000 1.356 395 M HN 0.260 nan 8.290 nan 0.000 0.432 396 F N 1.049 121.090 119.950 0.152 0.000 2.154 396 F HA -0.152 4.376 4.527 0.001 0.000 0.301 396 F C 2.500 178.439 175.800 0.231 0.000 1.087 396 F CA 1.575 59.724 58.000 0.249 0.000 1.274 396 F CB -1.210 38.051 39.000 0.434 0.000 1.009 396 F HN 0.277 nan 8.300 nan 0.000 0.485 397 G N -0.362 108.663 108.800 0.375 0.000 2.469 397 G HA2 -0.294 3.666 3.960 0.001 0.000 0.220 397 G HA3 -0.294 3.666 3.960 0.001 0.000 0.220 397 G C 1.630 176.577 174.900 0.078 0.000 1.136 397 G CA 1.109 46.366 45.100 0.262 0.000 0.759 397 G HN 0.314 nan 8.290 nan 0.000 0.562 398 M N -0.278 119.331 119.600 0.015 0.000 2.349 398 M HA 0.067 4.547 4.480 0.001 0.000 0.266 398 M C 2.584 178.889 176.300 0.009 0.000 1.076 398 M CA 0.251 55.519 55.300 -0.053 0.000 1.126 398 M CB 0.056 32.573 32.600 -0.139 0.000 1.392 398 M HN 0.107 nan 8.290 nan 0.000 0.440 399 V N 1.093 121.043 119.914 0.060 0.000 2.223 399 V HA -0.273 3.848 4.120 0.001 0.000 0.244 399 V C 2.240 178.431 176.094 0.162 0.000 1.045 399 V CA 1.793 64.154 62.300 0.101 0.000 1.000 399 V CB -0.582 31.305 31.823 0.106 0.000 0.635 399 V HN 0.460 nan 8.190 nan 0.000 0.445 400 L N 0.120 121.451 121.223 0.181 0.000 2.263 400 L HA -0.200 4.141 4.340 0.001 0.000 0.216 400 L C 2.428 179.344 176.870 0.077 0.000 1.111 400 L CA 1.376 56.320 54.840 0.173 0.000 0.773 400 L CB -0.723 41.395 42.059 0.099 0.000 0.906 400 L HN 0.409 nan 8.230 nan 0.000 0.439 401 A N 0.395 123.221 122.820 0.010 0.000 2.123 401 A HA -0.005 4.316 4.320 0.001 0.000 0.214 401 A C 2.122 179.653 177.584 -0.087 0.000 1.152 401 A CA 0.532 52.527 52.037 -0.070 0.000 0.728 401 A CB -0.393 18.545 19.000 -0.103 0.000 0.814 401 A HN 0.524 nan 8.150 nan 0.000 0.464 402 I N -2.788 117.753 120.570 -0.049 0.000 2.676 402 I HA 0.041 4.212 4.170 0.001 0.000 0.259 402 I C 2.056 178.014 176.117 -0.264 0.000 1.194 402 I CA 1.051 62.303 61.300 -0.079 0.000 1.473 402 I CB -1.080 36.934 38.000 0.023 0.000 1.096 402 I HN 0.125 nan 8.210 nan 0.000 0.443 403 G N 3.039 111.497 108.800 -0.569 0.000 2.529 403 G HA2 -0.219 3.742 3.960 0.001 0.000 0.219 403 G HA3 -0.219 3.742 3.960 0.001 0.000 0.219 403 G C 1.710 176.274 174.900 -0.560 0.000 1.177 403 G CA 1.276 45.600 45.100 -1.293 0.000 0.773 403 G HN 0.453 nan 8.290 nan 0.000 0.573 404 L N -0.109 120.930 121.223 -0.307 0.000 2.156 404 L HA 0.102 4.442 4.340 0.001 0.000 0.208 404 L C 2.845 179.637 176.870 -0.131 0.000 1.095 404 L CA 0.120 54.863 54.840 -0.161 0.000 0.770 404 L CB -0.465 41.550 42.059 -0.073 0.000 0.914 404 L HN 0.125 nan 8.230 nan 0.000 0.439 405 L N -0.406 120.739 121.223 -0.130 0.000 2.056 405 L HA -0.158 4.183 4.340 0.001 0.000 0.207 405 L C 2.598 179.418 176.870 -0.083 0.000 1.078 405 L CA 1.304 56.089 54.840 -0.091 0.000 0.749 405 L CB -0.551 41.464 42.059 -0.073 0.000 0.901 405 L HN 0.130 nan 8.230 nan 0.000 0.433 406 V N -0.078 119.773 119.914 -0.105 0.000 2.358 406 V HA -0.285 3.836 4.120 0.001 0.000 0.246 406 V C 2.103 178.150 176.094 -0.077 0.000 1.047 406 V CA 1.750 64.005 62.300 -0.074 0.000 1.035 406 V CB -0.368 31.415 31.823 -0.067 0.000 0.658 406 V HN 0.380 nan 8.190 nan 0.000 0.452 407 D N 0.314 120.649 120.400 -0.110 0.000 2.156 407 D HA -0.219 4.422 4.640 0.001 0.000 0.190 407 D C 1.862 178.122 176.300 -0.067 0.000 0.998 407 D CA 1.784 55.731 54.000 -0.089 0.000 0.842 407 D CB -0.260 40.482 40.800 -0.095 0.000 0.974 407 D HN 0.364 nan 8.370 nan 0.000 0.447 408 D N -0.485 119.876 120.400 -0.065 0.000 2.271 408 D HA -0.147 4.494 4.640 0.001 0.000 0.207 408 D C 1.681 177.950 176.300 -0.052 0.000 0.983 408 D CA 1.013 54.980 54.000 -0.054 0.000 0.878 408 D CB -0.240 40.526 40.800 -0.056 0.000 0.920 408 D HN 0.262 nan 8.370 nan 0.000 0.479 409 A N 1.200 123.989 122.820 -0.051 0.000 1.835 409 A HA -0.052 4.268 4.320 0.001 0.000 0.213 409 A C 2.279 179.838 177.584 -0.042 0.000 1.210 409 A CA 1.005 53.016 52.037 -0.043 0.000 0.605 409 A CB -0.675 18.307 19.000 -0.030 0.000 0.860 409 A HN 0.330 nan 8.150 nan 0.000 0.447 410 I N -1.986 118.558 120.570 -0.044 0.000 2.394 410 I HA -0.087 4.083 4.170 0.001 0.000 0.251 410 I C 1.898 177.978 176.117 -0.062 0.000 1.136 410 I CA 1.374 62.643 61.300 -0.052 0.000 1.425 410 I CB -0.658 37.307 38.000 -0.058 0.000 1.079 410 I HN 0.060 nan 8.210 nan 0.000 0.425 411 V N 1.541 121.420 119.914 -0.058 0.000 2.332 411 V HA -0.238 3.883 4.120 0.001 0.000 0.248 411 V C 2.710 178.786 176.094 -0.030 0.000 1.055 411 V CA 1.932 64.203 62.300 -0.049 0.000 1.038 411 V CB -0.355 31.447 31.823 -0.036 0.000 0.651 411 V HN 0.401 nan 8.190 nan 0.000 0.450 412 V N -0.721 119.175 119.914 -0.030 0.000 2.488 412 V HA -0.134 3.987 4.120 0.001 0.000 0.246 412 V C 2.271 178.349 176.094 -0.026 0.000 1.046 412 V CA 1.624 63.911 62.300 -0.022 0.000 1.053 412 V CB 0.303 32.107 31.823 -0.032 0.000 0.679 412 V HN 0.413 nan 8.190 nan 0.000 0.458 413 V N 0.867 120.759 119.914 -0.037 0.000 2.379 413 V HA -0.180 3.941 4.120 0.001 0.000 0.245 413 V C 2.527 178.593 176.094 -0.047 0.000 1.044 413 V CA 1.933 64.210 62.300 -0.039 0.000 1.036 413 V CB -0.725 31.076 31.823 -0.038 0.000 0.664 413 V HN 0.784 nan 8.190 nan 0.000 0.453 414 E N 1.841 122.006 120.200 -0.058 0.000 2.085 414 E HA -0.286 4.065 4.350 0.001 0.000 0.194 414 E C 1.823 178.389 176.600 -0.056 0.000 0.994 414 E CA 2.381 58.738 56.400 -0.073 0.000 0.801 414 E CB -0.719 28.921 29.700 -0.100 0.000 0.743 414 E HN 0.594 nan 8.360 nan 0.000 0.453 415 N N -0.383 118.297 118.700 -0.033 0.000 2.270 415 N HA -0.074 4.666 4.740 0.001 0.000 0.181 415 N C 1.568 177.084 175.510 0.010 0.000 1.016 415 N CA 1.151 54.202 53.050 0.000 0.000 0.870 415 N CB -0.021 38.499 38.487 0.056 0.000 0.979 415 N HN 0.128 nan 8.380 nan 0.000 0.431 416 V N 0.818 120.730 119.914 -0.003 0.000 2.287 416 V HA -0.191 3.929 4.120 0.001 0.000 0.248 416 V C 1.898 177.981 176.094 -0.018 0.000 1.053 416 V CA 1.725 64.021 62.300 -0.006 0.000 1.027 416 V CB -0.399 31.416 31.823 -0.014 0.000 0.646 416 V HN 0.413 nan 8.190 nan 0.000 0.447 417 E N -0.785 119.394 120.200 -0.036 0.000 2.358 417 E HA -0.145 4.205 4.350 0.001 0.000 0.195 417 E C 2.365 178.927 176.600 -0.064 0.000 1.010 417 E CA 0.263 56.630 56.400 -0.054 0.000 0.856 417 E CB -0.029 29.628 29.700 -0.072 0.000 0.795 417 E HN 0.447 nan 8.360 nan 0.000 0.504 418 R N 0.749 121.218 120.500 -0.050 0.000 2.073 418 R HA -0.099 4.241 4.340 0.001 0.000 0.229 418 R C 2.134 178.419 176.300 -0.025 0.000 1.120 418 R CA 0.959 57.029 56.100 -0.050 0.000 0.967 418 R CB -0.050 30.231 30.300 -0.032 0.000 0.862 418 R HN 0.003 nan 8.270 nan 0.000 0.436 419 V N 1.423 121.337 119.914 0.000 0.000 2.343 419 V HA -0.287 3.834 4.120 0.001 0.000 0.247 419 V C 2.492 178.585 176.094 -0.002 0.000 1.051 419 V CA 2.001 64.309 62.300 0.014 0.000 1.036 419 V CB -0.409 31.428 31.823 0.023 0.000 0.654 419 V HN 0.400 nan 8.190 nan 0.000 0.451 420 M N -0.414 119.176 119.600 -0.017 0.000 2.149 420 M HA -0.199 4.281 4.480 0.001 0.000 0.261 420 M C 2.233 178.513 176.300 -0.032 0.000 1.064 420 M CA 2.135 57.421 55.300 -0.023 0.000 1.102 420 M CB -0.424 32.157 32.600 -0.033 0.000 1.369 420 M HN 0.443 nan 8.290 nan 0.000 0.408 421 A N -0.039 122.745 122.820 -0.059 0.000 1.930 421 A HA -0.100 4.220 4.320 0.001 0.000 0.215 421 A C 1.613 179.178 177.584 -0.033 0.000 1.176 421 A CA 1.215 53.194 52.037 -0.097 0.000 0.632 421 A CB -0.333 18.529 19.000 -0.231 0.000 0.819 421 A HN 0.566 nan 8.150 nan 0.000 0.445 422 E N -1.062 119.140 120.200 0.002 0.000 2.476 422 E HA 0.151 4.502 4.350 0.001 0.000 0.196 422 E C 0.236 176.865 176.600 0.047 0.000 1.029 422 E CA 0.105 56.544 56.400 0.065 0.000 0.896 422 E CB 0.414 30.165 29.700 0.085 0.000 1.012 422 E HN 0.690 nan 8.360 nan 0.000 0.475 423 E N -0.552 119.665 120.200 0.027 0.000 2.673 423 E HA 0.088 4.439 4.350 0.001 0.000 0.215 423 E C 0.595 177.203 176.600 0.015 0.000 0.935 423 E CA 0.181 56.594 56.400 0.022 0.000 1.341 423 E CB 1.262 30.974 29.700 0.019 0.000 1.277 423 E HN 0.250 nan 8.360 nan 0.000 0.667 424 G N 2.635 111.441 108.800 0.010 0.000 2.321 424 G HA2 -0.299 3.661 3.960 0.001 0.000 0.287 424 G HA3 -0.299 3.661 3.960 0.001 0.000 0.287 424 G C 0.290 175.192 174.900 0.004 0.000 1.018 424 G CA 0.743 45.847 45.100 0.006 0.000 0.855 424 G HN 0.147 nan 8.290 nan 0.000 0.507 425 L N 0.105 121.330 121.223 0.002 0.000 2.468 425 L HA 0.543 4.884 4.340 0.001 0.000 0.254 425 L C 1.500 178.369 176.870 -0.001 0.000 1.171 425 L CA -0.190 54.651 54.840 0.001 0.000 0.809 425 L CB 0.746 42.806 42.059 0.002 0.000 1.155 425 L HN 0.424 nan 8.230 nan 0.000 0.473 426 S N -0.394 115.306 115.700 -0.000 0.000 2.632 426 S HA 0.276 4.746 4.470 0.001 0.000 0.267 426 S C -1.948 172.651 174.600 -0.001 0.000 1.276 426 S CA -1.149 57.050 58.200 -0.001 0.000 0.998 426 S CB 1.265 64.466 63.200 0.001 0.000 0.953 426 S HN 0.370 nan 8.310 nan 0.000 0.547 427 P HA -0.215 nan 4.420 nan 0.000 0.216 427 P C 1.255 178.555 177.300 0.000 0.000 1.167 427 P CA 1.637 64.737 63.100 -0.001 0.000 0.914 427 P CB -0.051 31.651 31.700 0.004 0.000 0.793 428 R N 0.217 120.718 120.500 0.002 0.000 2.109 428 R HA -0.149 4.191 4.340 0.001 0.000 0.227 428 R C 2.305 178.605 176.300 0.001 0.000 1.132 428 R CA 1.754 57.855 56.100 0.002 0.000 0.907 428 R CB -1.812 28.488 30.300 0.001 0.000 0.825 428 R HN 0.333 nan 8.270 nan 0.000 0.432 429 E N 0.547 120.747 120.200 0.000 0.000 2.147 429 E HA -0.256 4.095 4.350 0.001 0.000 0.199 429 E C 1.998 178.598 176.600 0.001 0.000 1.005 429 E CA 1.481 57.881 56.400 -0.000 0.000 0.810 429 E CB -0.293 29.407 29.700 -0.000 0.000 0.736 429 E HN 0.490 nan 8.360 nan 0.000 0.460 430 A N 1.165 123.985 122.820 0.001 0.000 1.968 430 A HA 0.061 4.381 4.320 0.001 0.000 0.217 430 A C 2.331 179.917 177.584 0.002 0.000 1.169 430 A CA 1.267 53.305 52.037 0.002 0.000 0.638 430 A CB -0.419 18.580 19.000 -0.002 0.000 0.812 430 A HN 0.284 nan 8.150 nan 0.000 0.446 431 A N 0.066 122.887 122.820 0.000 0.000 1.845 431 A HA -0.153 4.168 4.320 0.001 0.000 0.215 431 A C 2.194 179.780 177.584 0.003 0.000 1.195 431 A CA 1.586 53.624 52.037 0.000 0.000 0.616 431 A CB -0.583 18.417 19.000 -0.001 0.000 0.832 431 A HN 0.480 nan 8.150 nan 0.000 0.443 432 R N -0.562 119.940 120.500 0.004 0.000 2.119 432 R HA -0.213 4.127 4.340 0.001 0.000 0.246 432 R C 2.409 178.708 176.300 -0.001 0.000 1.146 432 R CA 2.141 58.243 56.100 0.004 0.000 0.962 432 R CB -0.243 30.058 30.300 0.002 0.000 0.863 432 R HN 0.628 nan 8.270 nan 0.000 0.442 433 K N -0.058 120.342 120.400 -0.001 0.000 2.007 433 K HA -0.109 4.211 4.320 0.001 0.000 0.206 433 K C 2.171 178.766 176.600 -0.008 0.000 1.047 433 K CA 1.761 58.045 56.287 -0.005 0.000 0.937 433 K CB -0.018 32.482 32.500 0.001 0.000 0.718 433 K HN 0.208 nan 8.250 nan 0.000 0.438 434 S N 0.612 116.315 115.700 0.006 0.000 2.382 434 S HA -0.140 4.330 4.470 0.001 0.000 0.228 434 S C 2.001 176.600 174.600 -0.002 0.000 1.027 434 S CA 0.967 59.178 58.200 0.018 0.000 0.991 434 S CB -0.243 62.983 63.200 0.044 0.000 0.823 434 S HN 0.200 nan 8.310 nan 0.000 0.469 435 M N 1.905 121.502 119.600 -0.004 0.000 2.279 435 M HA 0.045 4.526 4.480 0.001 0.000 0.264 435 M C 2.356 178.641 176.300 -0.026 0.000 1.062 435 M CA 1.275 56.569 55.300 -0.009 0.000 1.099 435 M CB -2.139 30.463 32.600 0.003 0.000 1.394 435 M HN 0.580 nan 8.290 nan 0.000 0.426 436 G N -0.447 108.334 108.800 -0.032 0.000 2.408 436 G HA2 -0.209 3.752 3.960 0.001 0.000 0.217 436 G HA3 -0.209 3.752 3.960 0.001 0.000 0.217 436 G C 1.536 176.383 174.900 -0.090 0.000 1.150 436 G CA 0.349 45.419 45.100 -0.050 0.000 0.776 436 G HN 0.497 nan 8.290 nan 0.000 0.542 437 Q N -0.239 119.492 119.800 -0.116 0.000 2.046 437 Q HA -0.037 4.304 4.340 0.001 0.000 0.200 437 Q C 2.535 178.394 176.000 -0.236 0.000 0.975 437 Q CA 1.645 57.306 55.803 -0.236 0.000 0.836 437 Q CB -0.189 28.360 28.738 -0.314 0.000 0.896 437 Q HN 0.738 nan 8.270 nan 0.000 0.428 438 I N -2.686 117.812 120.570 -0.121 0.000 2.628 438 I HA -0.038 4.132 4.170 0.001 0.000 0.255 438 I C 2.160 178.243 176.117 -0.057 0.000 1.119 438 I CA 0.472 61.736 61.300 -0.061 0.000 1.448 438 I CB -0.687 37.334 38.000 0.035 0.000 1.133 438 I HN 0.034 nan 8.210 nan 0.000 0.438 439 Q N 1.400 121.170 119.800 -0.049 0.000 2.191 439 Q HA -0.357 3.984 4.340 0.001 0.000 0.220 439 Q C 2.176 178.139 176.000 -0.061 0.000 1.076 439 Q CA 3.113 58.889 55.803 -0.046 0.000 0.945 439 Q CB -1.043 27.671 28.738 -0.041 0.000 1.081 439 Q HN 0.745 nan 8.270 nan 0.000 0.460 440 G N -0.824 107.930 108.800 -0.078 0.000 2.418 440 G HA2 -0.190 3.770 3.960 0.001 0.000 0.217 440 G HA3 -0.190 3.770 3.960 0.001 0.000 0.217 440 G C 1.379 176.212 174.900 -0.112 0.000 1.158 440 G CA 1.185 46.229 45.100 -0.095 0.000 0.771 440 G HN 0.583 nan 8.290 nan 0.000 0.545 441 A N 0.319 123.072 122.820 -0.111 0.000 1.972 441 A HA 0.121 4.442 4.320 0.001 0.000 0.219 441 A C 2.414 179.948 177.584 -0.084 0.000 1.169 441 A CA 1.087 53.056 52.037 -0.114 0.000 0.635 441 A CB -0.301 18.657 19.000 -0.070 0.000 0.810 441 A HN 0.372 nan 8.150 nan 0.000 0.446 442 L N -0.728 120.458 121.223 -0.063 0.000 1.976 442 L HA -0.169 4.171 4.340 0.001 0.000 0.209 442 L C 2.584 179.417 176.870 -0.062 0.000 1.071 442 L CA 1.445 56.254 54.840 -0.052 0.000 0.746 442 L CB -0.789 41.245 42.059 -0.043 0.000 0.890 442 L HN 0.255 nan 8.230 nan 0.000 0.432 443 V N 0.478 120.352 119.914 -0.066 0.000 2.278 443 V HA -0.318 3.803 4.120 0.001 0.000 0.251 443 V C 2.636 178.680 176.094 -0.083 0.000 1.062 443 V CA 2.207 64.466 62.300 -0.068 0.000 1.038 443 V CB -1.499 30.283 31.823 -0.069 0.000 0.646 443 V HN 0.642 nan 8.190 nan 0.000 0.447 444 G N 0.812 109.546 108.800 -0.109 0.000 2.491 444 G HA2 -0.294 3.667 3.960 0.001 0.000 0.218 444 G HA3 -0.294 3.667 3.960 0.001 0.000 0.218 444 G C 1.468 176.297 174.900 -0.118 0.000 1.180 444 G CA 1.472 46.487 45.100 -0.142 0.000 0.774 444 G HN 0.657 nan 8.290 nan 0.000 0.562 445 I N -0.758 119.755 120.570 -0.096 0.000 2.394 445 I HA 0.058 4.229 4.170 0.001 0.000 0.251 445 I C 2.837 178.920 176.117 -0.056 0.000 1.136 445 I CA 1.431 62.688 61.300 -0.073 0.000 1.425 445 I CB -0.775 37.194 38.000 -0.050 0.000 1.079 445 I HN 0.179 nan 8.210 nan 0.000 0.425 446 A N 1.844 124.635 122.820 -0.049 0.000 1.940 446 A HA -0.141 4.179 4.320 0.001 0.000 0.219 446 A C 2.410 179.975 177.584 -0.030 0.000 1.176 446 A CA 1.985 54.004 52.037 -0.032 0.000 0.631 446 A CB -0.530 18.450 19.000 -0.034 0.000 0.814 446 A HN 0.503 nan 8.150 nan 0.000 0.446 447 M N -1.067 118.503 119.600 -0.049 0.000 2.160 447 M HA -0.082 4.398 4.480 0.001 0.000 0.264 447 M C 2.189 178.453 176.300 -0.059 0.000 1.073 447 M CA 1.144 56.415 55.300 -0.048 0.000 1.142 447 M CB -0.588 31.977 32.600 -0.059 0.000 1.358 447 M HN 0.249 nan 8.290 nan 0.000 0.422 448 V N 1.389 121.255 119.914 -0.079 0.000 2.282 448 V HA -0.295 3.825 4.120 0.001 0.000 0.249 448 V C 2.437 178.461 176.094 -0.117 0.000 1.057 448 V CA 1.778 64.023 62.300 -0.092 0.000 1.032 448 V CB -0.762 31.003 31.823 -0.096 0.000 0.645 448 V HN 0.460 nan 8.190 nan 0.000 0.447 449 L N -0.350 120.810 121.223 -0.106 0.000 2.079 449 L HA -0.194 4.146 4.340 0.001 0.000 0.210 449 L C 2.644 179.444 176.870 -0.118 0.000 1.081 449 L CA 1.736 56.483 54.840 -0.154 0.000 0.752 449 L CB -0.668 41.388 42.059 -0.006 0.000 0.896 449 L HN 0.349 nan 8.230 nan 0.000 0.433 450 S N 0.034 115.724 115.700 -0.017 0.000 2.359 450 S HA -0.211 4.260 4.470 0.001 0.000 0.224 450 S C 2.133 176.731 174.600 -0.003 0.000 1.035 450 S CA 1.386 59.606 58.200 0.034 0.000 1.018 450 S CB -0.316 62.897 63.200 0.022 0.000 0.876 450 S HN 0.531 nan 8.310 nan 0.000 0.448 451 A N 0.632 123.420 122.820 -0.053 0.000 2.070 451 A HA -0.006 4.314 4.320 0.001 0.000 0.220 451 A C 2.205 179.725 177.584 -0.107 0.000 1.159 451 A CA 1.095 53.093 52.037 -0.065 0.000 0.656 451 A CB -0.563 18.399 19.000 -0.064 0.000 0.800 451 A HN 0.362 nan 8.150 nan 0.000 0.453 452 V N -1.727 118.054 119.914 -0.221 0.000 2.591 452 V HA -0.129 3.992 4.120 0.001 0.000 0.249 452 V C 2.069 177.941 176.094 -0.370 0.000 1.053 452 V CA 1.708 63.781 62.300 -0.379 0.000 1.068 452 V CB -0.681 30.738 31.823 -0.673 0.000 0.689 452 V HN 0.644 nan 8.190 nan 0.000 0.462 453 F N -1.292 118.658 119.950 0.000 0.000 2.289 453 F HA 0.147 4.675 4.527 0.001 0.000 0.280 453 F C 2.110 177.925 175.800 0.024 0.000 1.045 453 F CA 0.299 58.302 58.000 0.005 0.000 1.236 453 F CB -0.461 38.539 39.000 0.001 0.000 1.116 453 F HN -0.104 nan 8.300 nan 0.000 0.550 454 L N 0.617 121.981 121.223 0.235 0.000 2.058 454 L HA -0.274 4.067 4.340 0.001 0.000 0.226 454 L C -0.625 176.408 176.870 0.272 0.000 1.089 454 L CA 1.949 56.922 54.840 0.222 0.000 0.799 454 L CB -2.127 40.059 42.059 0.213 0.000 0.900 454 L HN 0.082 nan 8.230 nan 0.000 0.442 455 P HA -0.244 nan 4.420 nan 0.000 0.217 455 P C 1.757 179.070 177.300 0.022 0.000 1.158 455 P CA 1.672 64.773 63.100 0.001 0.000 0.887 455 P CB -0.158 31.464 31.700 -0.130 0.000 0.792 456 M N -1.434 118.167 119.600 0.001 0.000 2.260 456 M HA -0.130 4.351 4.480 0.001 0.000 0.261 456 M C 1.992 178.416 176.300 0.207 0.000 1.066 456 M CA 1.804 57.111 55.300 0.012 0.000 1.082 456 M CB -2.039 30.542 32.600 -0.032 0.000 1.388 456 M HN -0.083 nan 8.290 nan 0.000 0.419 457 A N -1.006 121.937 122.820 0.205 0.000 2.119 457 A HA -0.020 4.300 4.320 0.001 0.000 0.217 457 A C 1.560 179.138 177.584 -0.010 0.000 1.153 457 A CA 0.593 52.704 52.037 0.123 0.000 0.692 457 A CB -0.882 18.119 19.000 0.001 0.000 0.799 457 A HN 0.428 nan 8.150 nan 0.000 0.458 458 F N -1.400 118.538 119.950 -0.019 0.000 2.693 458 F HA 0.291 4.819 4.527 0.001 0.000 0.303 458 F C 0.326 176.098 175.800 -0.047 0.000 1.143 458 F CA -0.312 57.659 58.000 -0.048 0.000 1.389 458 F CB -0.231 38.695 39.000 -0.122 0.000 1.060 458 F HN 0.073 nan 8.300 nan 0.000 0.535 459 F N 0.293 120.355 119.950 0.187 0.000 2.429 459 F HA 0.414 4.941 4.527 0.001 0.000 0.348 459 F C 1.281 177.160 175.800 0.132 0.000 1.109 459 F CA -0.637 57.460 58.000 0.161 0.000 1.232 459 F CB 0.571 39.714 39.000 0.237 0.000 1.157 459 F HN -0.066 nan 8.300 nan 0.000 0.564 460 G N 1.337 110.366 108.800 0.382 0.000 2.528 460 G HA2 0.515 4.476 3.960 0.001 0.000 0.289 460 G HA3 0.515 4.476 3.960 0.001 0.000 0.289 460 G C -0.030 174.985 174.900 0.191 0.000 1.192 460 G CA 0.033 45.270 45.100 0.229 0.000 0.921 460 G HN 1.127 nan 8.290 nan 0.000 0.512 461 G N -0.688 108.201 108.800 0.148 0.000 2.681 461 G HA2 0.024 3.985 3.960 0.001 0.000 0.220 461 G HA3 0.024 3.985 3.960 0.001 0.000 0.220 461 G C 1.221 176.179 174.900 0.097 0.000 1.353 461 G CA 0.785 45.959 45.100 0.124 0.000 0.872 461 G HN 1.713 nan 8.290 nan 0.000 0.557 462 S N -1.236 114.511 115.700 0.078 0.000 2.436 462 S HA -0.027 4.444 4.470 0.001 0.000 0.228 462 S C 2.577 177.206 174.600 0.049 0.000 1.014 462 S CA 2.343 60.579 58.200 0.059 0.000 0.950 462 S CB -0.548 62.687 63.200 0.057 0.000 0.784 462 S HN 2.163 nan 8.310 nan 0.000 0.504 463 T N 0.805 115.392 114.554 0.056 0.000 2.788 463 T HA -0.007 4.344 4.350 0.001 0.000 0.268 463 T C 2.000 176.633 174.700 -0.111 0.000 1.044 463 T CA 1.476 63.533 62.100 -0.071 0.000 1.139 463 T CB -1.234 67.594 68.868 -0.068 0.000 0.867 463 T HN 0.437 nan 8.240 nan 0.000 0.454 464 G N 0.446 109.308 108.800 0.103 0.000 2.471 464 G HA2 -0.041 3.920 3.960 0.001 0.000 0.219 464 G HA3 -0.041 3.920 3.960 0.001 0.000 0.219 464 G C 1.611 176.626 174.900 0.193 0.000 1.125 464 G CA 0.806 46.080 45.100 0.290 0.000 0.775 464 G HN 0.514 nan 8.290 nan 0.000 0.548 465 V N 1.925 121.889 119.914 0.085 0.000 2.379 465 V HA -0.105 4.015 4.120 0.001 0.000 0.245 465 V C 2.706 178.807 176.094 0.012 0.000 1.044 465 V CA 1.593 63.914 62.300 0.035 0.000 1.036 465 V CB -0.326 31.496 31.823 -0.002 0.000 0.664 465 V HN 0.628 nan 8.190 nan 0.000 0.453 466 I N -2.458 118.094 120.570 -0.029 0.000 2.333 466 I HA -0.174 3.997 4.170 0.001 0.000 0.246 466 I C 2.522 178.688 176.117 0.081 0.000 1.106 466 I CA 1.646 62.901 61.300 -0.074 0.000 1.411 466 I CB -0.773 37.139 38.000 -0.147 0.000 1.082 466 I HN 0.229 nan 8.210 nan 0.000 0.420 467 Y N 1.592 121.993 120.300 0.169 0.000 2.030 467 Y HA -0.308 4.243 4.550 0.001 0.000 0.274 467 Y C 3.077 179.106 175.900 0.215 0.000 1.153 467 Y CA 1.934 60.189 58.100 0.258 0.000 1.115 467 Y CB -0.405 38.216 38.460 0.268 0.000 0.969 467 Y HN 0.103 nan 8.280 nan 0.000 0.488 468 R N 0.429 121.136 120.500 0.346 0.000 2.153 468 R HA -0.325 4.016 4.340 0.001 0.000 0.252 468 R C 2.174 178.618 176.300 0.241 0.000 1.158 468 R CA 2.155 58.398 56.100 0.238 0.000 0.975 468 R CB -0.259 30.155 30.300 0.190 0.000 0.871 468 R HN 0.332 nan 8.270 nan 0.000 0.450 469 Q N -0.477 119.428 119.800 0.175 0.000 2.020 469 Q HA -0.111 4.229 4.340 0.001 0.000 0.202 469 Q C 1.751 177.740 176.000 -0.018 0.000 0.982 469 Q CA 2.278 58.156 55.803 0.124 0.000 0.838 469 Q CB -0.292 28.357 28.738 -0.148 0.000 0.899 469 Q HN 0.378 nan 8.270 nan 0.000 0.423 470 F N -0.602 119.383 119.950 0.059 0.000 2.046 470 F HA -0.267 4.261 4.527 0.001 0.000 0.297 470 F C 2.755 178.495 175.800 -0.100 0.000 1.123 470 F CA 1.297 59.276 58.000 -0.034 0.000 1.199 470 F CB -0.922 38.055 39.000 -0.037 0.000 0.972 470 F HN 0.088 nan 8.300 nan 0.000 0.474 471 S N 0.680 116.479 115.700 0.164 0.000 2.392 471 S HA -0.224 4.247 4.470 0.001 0.000 0.225 471 S C 2.137 176.677 174.600 -0.100 0.000 1.041 471 S CA 1.727 59.949 58.200 0.037 0.000 1.100 471 S CB -0.571 62.701 63.200 0.120 0.000 1.029 471 S HN 0.194 nan 8.310 nan 0.000 0.424 472 I N 1.105 121.584 120.570 -0.153 0.000 2.185 472 I HA -0.167 4.004 4.170 0.001 0.000 0.246 472 I C 2.698 178.558 176.117 -0.429 0.000 1.088 472 I CA 2.097 63.151 61.300 -0.410 0.000 1.347 472 I CB -1.847 35.713 38.000 -0.732 0.000 1.041 472 I HN 0.465 nan 8.210 nan 0.000 0.415 473 T N 0.844 115.215 114.554 -0.306 0.000 2.812 473 T HA -0.077 4.273 4.350 0.001 0.000 0.264 473 T C 1.797 176.353 174.700 -0.239 0.000 1.042 473 T CA 1.077 63.015 62.100 -0.270 0.000 1.140 473 T CB -0.146 68.618 68.868 -0.174 0.000 0.870 473 T HN 0.480 nan 8.240 nan 0.000 0.445 474 I N -0.718 119.712 120.570 -0.234 0.000 3.578 474 I HA 0.191 4.362 4.170 0.001 0.000 0.295 474 I C 1.559 177.504 176.117 -0.287 0.000 1.280 474 I CA 0.447 61.569 61.300 -0.298 0.000 1.347 474 I CB 0.048 37.773 38.000 -0.458 0.000 1.051 474 I HN 0.048 nan 8.210 nan 0.000 0.460 475 V N 0.595 120.378 119.914 -0.218 0.000 2.825 475 V HA -0.051 4.069 4.120 0.001 0.000 0.246 475 V C 2.527 178.548 176.094 -0.121 0.000 1.068 475 V CA 1.564 63.804 62.300 -0.101 0.000 1.088 475 V CB 0.155 31.945 31.823 -0.053 0.000 0.733 475 V HN 0.433 nan 8.190 nan 0.000 0.468 476 S N 1.033 116.616 115.700 -0.195 0.000 2.368 476 S HA -0.167 4.304 4.470 0.001 0.000 0.225 476 S C 2.228 176.748 174.600 -0.133 0.000 1.030 476 S CA 1.521 59.614 58.200 -0.178 0.000 0.999 476 S CB -0.415 62.639 63.200 -0.244 0.000 0.844 476 S HN 0.628 nan 8.310 nan 0.000 0.459 477 A N 2.269 124.998 122.820 -0.152 0.000 1.855 477 A HA -0.056 4.265 4.320 0.001 0.000 0.215 477 A C 2.114 179.644 177.584 -0.090 0.000 1.191 477 A CA 1.600 53.560 52.037 -0.128 0.000 0.613 477 A CB -0.702 18.210 19.000 -0.147 0.000 0.829 477 A HN 0.423 nan 8.150 nan 0.000 0.442 478 M N 0.411 119.965 119.600 -0.077 0.000 2.115 478 M HA -0.204 4.276 4.480 0.001 0.000 0.258 478 M C 2.311 178.590 176.300 -0.035 0.000 1.071 478 M CA 2.481 57.761 55.300 -0.034 0.000 1.100 478 M CB -1.166 31.451 32.600 0.028 0.000 1.292 478 M HN 0.409 nan 8.290 nan 0.000 0.415 479 A N 0.333 123.133 122.820 -0.033 0.000 1.948 479 A HA -0.210 4.111 4.320 0.001 0.000 0.220 479 A C 2.304 179.861 177.584 -0.045 0.000 1.177 479 A CA 1.845 53.863 52.037 -0.033 0.000 0.636 479 A CB -1.106 17.878 19.000 -0.027 0.000 0.815 479 A HN 0.656 nan 8.150 nan 0.000 0.449 480 L N 0.036 121.227 121.223 -0.053 0.000 2.109 480 L HA -0.138 4.202 4.340 0.001 0.000 0.207 480 L C 2.958 179.789 176.870 -0.065 0.000 1.086 480 L CA 1.671 56.478 54.840 -0.056 0.000 0.760 480 L CB -0.233 41.793 42.059 -0.055 0.000 0.910 480 L HN 0.613 nan 8.230 nan 0.000 0.437 481 S N -1.223 114.438 115.700 -0.064 0.000 2.402 481 S HA -0.131 4.340 4.470 0.001 0.000 0.229 481 S C 1.806 176.364 174.600 -0.070 0.000 1.021 481 S CA 1.166 59.326 58.200 -0.067 0.000 0.974 481 S CB -0.581 62.581 63.200 -0.064 0.000 0.800 481 S HN 0.239 nan 8.310 nan 0.000 0.484 482 V N 2.787 122.664 119.914 -0.062 0.000 2.407 482 V HA -0.096 4.025 4.120 0.001 0.000 0.248 482 V C 2.461 178.509 176.094 -0.076 0.000 1.055 482 V CA 1.807 64.070 62.300 -0.061 0.000 1.049 482 V CB -0.944 30.849 31.823 -0.049 0.000 0.662 482 V HN 0.707 nan 8.190 nan 0.000 0.455 483 I N -0.009 120.511 120.570 -0.083 0.000 2.286 483 I HA -0.143 4.027 4.170 0.001 0.000 0.245 483 I C 2.305 178.331 176.117 -0.152 0.000 1.104 483 I CA 1.643 62.877 61.300 -0.110 0.000 1.397 483 I CB -0.121 37.819 38.000 -0.101 0.000 1.072 483 I HN 0.145 nan 8.210 nan 0.000 0.417 484 V N 2.385 122.217 119.914 -0.137 0.000 2.392 484 V HA -0.216 3.904 4.120 0.001 0.000 0.249 484 V C 2.643 178.642 176.094 -0.159 0.000 1.059 484 V CA 1.814 64.017 62.300 -0.161 0.000 1.051 484 V CB -1.206 30.542 31.823 -0.124 0.000 0.658 484 V HN 0.626 nan 8.190 nan 0.000 0.455 485 A N -1.523 121.225 122.820 -0.119 0.000 2.291 485 A HA 0.268 4.588 4.320 0.001 0.000 0.220 485 A C 1.764 179.291 177.584 -0.094 0.000 1.262 485 A CA 0.623 52.600 52.037 -0.100 0.000 0.867 485 A CB -0.227 18.729 19.000 -0.075 0.000 0.888 485 A HN 0.533 nan 8.150 nan 0.000 0.487 486 L N -1.098 120.053 121.223 -0.122 0.000 2.854 486 L HA 0.256 4.596 4.340 0.001 0.000 0.249 486 L C 1.636 178.422 176.870 -0.140 0.000 1.091 486 L CA 0.301 55.083 54.840 -0.097 0.000 0.935 486 L CB 0.357 42.370 42.059 -0.078 0.000 1.367 486 L HN 0.557 nan 8.230 nan 0.000 0.524 487 I N -2.408 117.982 120.570 -0.299 0.000 4.240 487 I HA 0.094 4.264 4.170 0.001 0.000 0.331 487 I C 0.962 176.790 176.117 -0.482 0.000 1.381 487 I CA 0.538 61.483 61.300 -0.591 0.000 1.136 487 I CB 0.945 38.174 38.000 -1.285 0.000 1.137 487 I HN 0.140 nan 8.210 nan 0.000 0.411 488 L N 1.175 122.200 121.223 -0.330 0.000 2.666 488 L HA 0.061 4.402 4.340 0.001 0.000 0.184 488 L C 2.440 179.143 176.870 -0.278 0.000 1.092 488 L CA 1.544 56.180 54.840 -0.340 0.000 0.857 488 L CB -0.077 41.782 42.059 -0.334 0.000 1.281 488 L HN 0.333 nan 8.230 nan 0.000 0.489 489 T N -1.155 113.277 114.554 -0.203 0.000 2.684 489 T HA -0.076 4.275 4.350 0.001 0.000 0.267 489 T C -0.553 174.080 174.700 -0.111 0.000 1.036 489 T CA 1.246 63.257 62.100 -0.149 0.000 1.148 489 T CB -1.807 66.998 68.868 -0.106 0.000 0.863 489 T HN 0.143 nan 8.240 nan 0.000 0.436 490 P HA 0.022 nan 4.420 nan 0.000 0.216 490 P C 1.845 179.119 177.300 -0.043 0.000 1.153 490 P CA 1.700 64.772 63.100 -0.047 0.000 0.858 490 P CB -0.466 31.222 31.700 -0.020 0.000 0.789 491 A N -0.601 122.182 122.820 -0.063 0.000 1.902 491 A HA -0.164 4.157 4.320 0.001 0.000 0.217 491 A C 2.255 179.800 177.584 -0.065 0.000 1.181 491 A CA 1.396 53.403 52.037 -0.051 0.000 0.623 491 A CB -1.648 17.310 19.000 -0.069 0.000 0.818 491 A HN 0.093 nan 8.150 nan 0.000 0.443 492 L N -0.618 120.528 121.223 -0.128 0.000 2.012 492 L HA -0.303 4.038 4.340 0.001 0.000 0.210 492 L C 2.838 179.692 176.870 -0.027 0.000 1.073 492 L CA 1.647 56.429 54.840 -0.096 0.000 0.748 492 L CB -0.960 41.008 42.059 -0.151 0.000 0.891 492 L HN 0.520 nan 8.230 nan 0.000 0.431 493 C N -0.137 119.142 119.300 -0.035 0.000 2.418 493 C HA -0.212 4.249 4.460 0.001 0.000 0.280 493 C C 3.101 178.089 174.990 -0.004 0.000 1.223 493 C CA 0.738 59.746 59.018 -0.017 0.000 1.736 493 C CB -1.243 26.483 27.740 -0.023 0.000 2.056 493 C HN 0.655 nan 8.230 nan 0.000 0.459 494 A N -0.658 122.159 122.820 -0.005 0.000 2.054 494 A HA -0.269 4.052 4.320 0.001 0.000 0.223 494 A C 2.096 179.691 177.584 0.018 0.000 1.169 494 A CA 2.848 54.888 52.037 0.005 0.000 0.655 494 A CB -0.827 18.176 19.000 0.005 0.000 0.812 494 A HN 0.668 nan 8.150 nan 0.000 0.462 495 T N -1.655 112.916 114.554 0.028 0.000 3.046 495 T HA 0.192 4.543 4.350 0.001 0.000 0.242 495 T C 1.837 176.573 174.700 0.059 0.000 1.018 495 T CA 1.045 63.177 62.100 0.054 0.000 1.131 495 T CB -0.059 68.862 68.868 0.089 0.000 0.904 495 T HN 0.440 nan 8.240 nan 0.000 0.459 496 M N 0.471 120.105 119.600 0.057 0.000 2.545 496 M HA 0.321 4.802 4.480 0.001 0.000 0.264 496 M C 0.261 176.588 176.300 0.045 0.000 1.155 496 M CA 0.360 55.700 55.300 0.066 0.000 1.162 496 M CB -0.114 32.538 32.600 0.086 0.000 1.330 496 M HN 0.075 nan 8.290 nan 0.000 0.479 497 L N 1.746 122.984 121.223 0.025 0.000 2.461 497 L HA 0.056 4.397 4.340 0.001 0.000 0.272 497 L C 0.211 177.084 176.870 0.006 0.000 1.197 497 L CA 0.276 55.120 54.840 0.008 0.000 0.836 497 L CB 0.163 42.217 42.059 -0.009 0.000 1.105 497 L HN 0.110 nan 8.230 nan 0.000 0.477 498 K N 2.782 123.179 120.400 -0.004 0.000 2.098 498 K HA 0.422 4.743 4.320 0.001 0.000 0.258 498 K C -2.303 174.286 176.600 -0.017 0.000 0.973 498 K CA -1.560 54.724 56.287 -0.005 0.000 0.898 498 K CB 0.920 33.417 32.500 -0.005 0.000 1.057 498 K HN 0.275 nan 8.250 nan 0.000 0.447 499 P HA 0.238 nan 4.420 nan 0.000 0.276 499 P C -0.848 176.439 177.300 -0.023 0.000 1.252 499 P CA -0.451 62.640 63.100 -0.015 0.000 0.802 499 P CB 0.469 32.164 31.700 -0.007 0.000 1.035 500 I N -3.378 117.177 120.570 -0.025 0.000 2.722 500 I HA 0.504 4.674 4.170 0.001 0.000 0.295 500 I C -0.661 175.447 176.117 -0.015 0.000 1.161 500 I CA -1.194 60.089 61.300 -0.028 0.000 1.032 500 I CB 2.544 40.513 38.000 -0.050 0.000 1.244 500 I HN 0.168 nan 8.210 nan 0.000 0.421 501 E N 4.596 124.794 120.200 -0.004 0.000 2.360 501 E HA 0.189 4.540 4.350 0.001 0.000 0.269 501 E C -0.635 175.978 176.600 0.021 0.000 1.022 501 E CA -0.616 55.790 56.400 0.010 0.000 0.887 501 E CB 0.911 30.620 29.700 0.016 0.000 0.990 501 E HN 0.458 nan 8.360 nan 0.000 0.426 502 K N 0.959 121.374 120.400 0.026 0.000 2.591 502 K HA -0.063 4.258 4.320 0.001 0.000 0.280 502 K C 1.127 177.771 176.600 0.073 0.000 0.964 502 K CA 0.739 57.050 56.287 0.041 0.000 1.014 502 K CB -0.028 32.494 32.500 0.036 0.000 0.877 502 K HN 0.895 nan 8.250 nan 0.000 0.502 503 G N 1.332 110.203 108.800 0.117 0.000 2.257 503 G HA2 -0.312 3.649 3.960 0.001 0.000 0.267 503 G HA3 -0.312 3.649 3.960 0.001 0.000 0.267 503 G C -0.084 174.989 174.900 0.289 0.000 0.984 503 G CA 0.584 45.795 45.100 0.184 0.000 0.626 503 G HN 0.781 nan 8.290 nan 0.000 0.540 504 D N 0.197 120.711 120.400 0.189 0.000 2.371 504 D HA 0.458 5.099 4.640 0.001 0.000 0.256 504 D C 0.735 177.128 176.300 0.155 0.000 1.193 504 D CA -0.157 53.943 54.000 0.168 0.000 0.881 504 D CB 0.236 41.075 40.800 0.066 0.000 1.143 504 D HN 0.366 nan 8.370 nan 0.000 0.473 505 H N 1.776 120.861 119.070 0.024 0.000 2.767 505 H HA 0.337 4.893 4.556 0.001 0.000 0.260 505 H C 1.214 176.539 175.328 -0.005 0.000 1.172 505 H CA 0.198 56.255 56.048 0.014 0.000 1.048 505 H CB 0.811 30.587 29.762 0.023 0.000 1.697 505 H HN 0.599 nan 8.280 nan 0.000 0.606 506 G N 1.095 109.944 108.800 0.080 0.000 2.198 506 G HA2 -0.383 3.578 3.960 0.001 0.000 0.260 506 G HA3 -0.383 3.578 3.960 0.001 0.000 0.260 506 G C 0.925 175.831 174.900 0.010 0.000 1.025 506 G CA 0.868 45.989 45.100 0.035 0.000 0.769 506 G HN 0.525 nan 8.290 nan 0.000 0.507 507 E N -0.907 119.262 120.200 -0.052 0.000 2.107 507 E HA 0.004 4.354 4.350 0.001 0.000 0.191 507 E C 1.409 177.845 176.600 -0.273 0.000 0.982 507 E CA 1.248 57.515 56.400 -0.221 0.000 0.809 507 E CB -0.077 29.384 29.700 -0.397 0.000 0.756 507 E HN 0.808 nan 8.360 nan 0.000 0.459 508 H N 0.064 119.158 119.070 0.039 0.000 2.610 508 H HA 0.218 4.775 4.556 0.001 0.000 0.302 508 H C 0.816 176.174 175.328 0.050 0.000 1.063 508 H CA -0.040 56.032 56.048 0.041 0.000 1.159 508 H CB 0.277 30.059 29.762 0.033 0.000 1.427 508 H HN -0.064 nan 8.280 nan 0.000 0.553 509 K N 0.748 121.215 120.400 0.112 0.000 2.365 509 K HA 0.012 4.333 4.320 0.001 0.000 0.199 509 K C 1.067 177.746 176.600 0.130 0.000 1.045 509 K CA 0.559 56.911 56.287 0.108 0.000 0.962 509 K CB 0.074 32.626 32.500 0.086 0.000 0.759 509 K HN 0.598 nan 8.250 nan 0.000 0.469 510 G N 0.475 109.354 108.800 0.132 0.000 2.740 510 G HA2 -0.185 3.775 3.960 0.001 0.000 0.250 510 G HA3 -0.185 3.775 3.960 0.001 0.000 0.250 510 G C 0.346 175.351 174.900 0.175 0.000 1.358 510 G CA -0.089 45.095 45.100 0.140 0.000 0.897 510 G HN 0.632 nan 8.290 nan 0.000 0.567 511 G N -1.858 107.045 108.800 0.172 0.000 2.645 511 G HA2 0.101 4.061 3.960 0.001 0.000 0.246 511 G HA3 0.101 4.061 3.960 0.001 0.000 0.246 511 G C 0.757 175.796 174.900 0.231 0.000 1.322 511 G CA 1.215 46.439 45.100 0.206 0.000 0.898 511 G HN 2.235 nan 8.290 nan 0.000 0.573 512 F N 0.222 120.208 119.950 0.059 0.000 2.163 512 F HA 0.246 4.774 4.527 0.001 0.000 0.297 512 F C 2.500 178.360 175.800 0.100 0.000 1.094 512 F CA 2.051 60.050 58.000 -0.001 0.000 1.290 512 F CB -0.405 38.448 39.000 -0.245 0.000 1.017 512 F HN 0.298 nan 8.300 nan 0.000 0.483 513 F N 1.042 120.882 119.950 -0.183 0.000 2.134 513 F HA -0.036 4.492 4.527 0.001 0.000 0.299 513 F C 2.788 178.502 175.800 -0.143 0.000 1.097 513 F CA 1.392 59.208 58.000 -0.308 0.000 1.264 513 F CB -1.332 37.599 39.000 -0.115 0.000 1.001 513 F HN 0.098 nan 8.300 nan 0.000 0.479 514 G N 0.519 109.410 108.800 0.152 0.000 2.476 514 G HA2 -0.331 3.630 3.960 0.001 0.000 0.218 514 G HA3 -0.331 3.630 3.960 0.001 0.000 0.218 514 G C 1.551 176.490 174.900 0.065 0.000 1.164 514 G CA 0.872 46.032 45.100 0.099 0.000 0.768 514 G HN 0.614 nan 8.290 nan 0.000 0.560 515 W N 0.682 121.949 121.300 -0.056 0.000 2.335 515 W HA -0.134 4.526 4.660 0.001 0.000 0.311 515 W C 2.023 178.486 176.519 -0.094 0.000 1.213 515 W CA 1.318 58.630 57.345 -0.055 0.000 1.274 515 W CB -0.813 28.646 29.460 -0.001 0.000 1.148 515 W HN 0.200 nan 8.180 nan 0.000 0.498 516 F N 2.981 122.533 119.950 -0.663 0.000 2.060 516 F HA -0.234 4.294 4.527 0.001 0.000 0.295 516 F C 2.369 177.879 175.800 -0.482 0.000 1.120 516 F CA 2.645 60.169 58.000 -0.794 0.000 1.205 516 F CB -0.996 37.548 39.000 -0.759 0.000 0.986 516 F HN -0.204 nan 8.300 nan 0.000 0.470 517 N N 0.539 119.170 118.700 -0.116 0.000 2.094 517 N HA -0.231 4.509 4.740 0.001 0.000 0.191 517 N C 1.987 177.396 175.510 -0.167 0.000 1.023 517 N CA 1.582 54.589 53.050 -0.072 0.000 0.857 517 N CB -0.633 37.861 38.487 0.012 0.000 1.013 517 N HN 0.301 nan 8.380 nan 0.000 0.426 518 R N 0.021 120.378 120.500 -0.239 0.000 2.080 518 R HA 0.017 4.357 4.340 0.001 0.000 0.236 518 R C 2.267 178.342 176.300 -0.375 0.000 1.137 518 R CA 1.317 57.256 56.100 -0.267 0.000 0.943 518 R CB -0.113 30.052 30.300 -0.224 0.000 0.846 518 R HN 0.115 nan 8.270 nan 0.000 0.431 519 M N -0.794 118.431 119.600 -0.624 0.000 2.080 519 M HA -0.185 4.296 4.480 0.001 0.000 0.260 519 M C 2.147 178.158 176.300 -0.482 0.000 1.068 519 M CA 1.544 56.423 55.300 -0.703 0.000 1.109 519 M CB -0.974 30.906 32.600 -1.200 0.000 1.342 519 M HN 0.127 nan 8.290 nan 0.000 0.405 520 F N 0.589 120.147 119.950 -0.655 0.000 2.186 520 F HA -0.146 4.382 4.527 0.001 0.000 0.299 520 F C 2.216 177.899 175.800 -0.195 0.000 1.090 520 F CA 1.114 58.857 58.000 -0.429 0.000 1.307 520 F CB -0.248 38.476 39.000 -0.460 0.000 1.019 520 F HN 0.001 nan 8.300 nan 0.000 0.489 521 L N -0.276 120.895 121.223 -0.086 0.000 2.042 521 L HA -0.261 4.080 4.340 0.001 0.000 0.210 521 L C 2.517 179.291 176.870 -0.159 0.000 1.076 521 L CA 2.121 56.930 54.840 -0.052 0.000 0.749 521 L CB -0.753 41.258 42.059 -0.079 0.000 0.893 521 L HN 0.314 nan 8.230 nan 0.000 0.432 522 S N -2.299 113.234 115.700 -0.279 0.000 2.368 522 S HA -0.209 4.262 4.470 0.001 0.000 0.224 522 S C 1.928 176.417 174.600 -0.185 0.000 1.029 522 S CA 1.604 59.624 58.200 -0.300 0.000 0.988 522 S CB -0.762 62.278 63.200 -0.266 0.000 0.838 522 S HN 0.469 nan 8.310 nan 0.000 0.462 523 T N 2.558 116.957 114.554 -0.258 0.000 2.746 523 T HA -0.139 4.212 4.350 0.001 0.000 0.267 523 T C 2.081 176.650 174.700 -0.219 0.000 1.039 523 T CA 2.373 64.327 62.100 -0.243 0.000 1.142 523 T CB -1.279 67.401 68.868 -0.314 0.000 0.866 523 T HN 0.764 nan 8.240 nan 0.000 0.444 524 T N -0.629 113.718 114.554 -0.344 0.000 2.684 524 T HA -0.205 4.146 4.350 0.001 0.000 0.267 524 T C 1.680 176.388 174.700 0.013 0.000 1.036 524 T CA 1.934 63.921 62.100 -0.189 0.000 1.148 524 T CB -0.956 67.792 68.868 -0.201 0.000 0.863 524 T HN 0.534 nan 8.240 nan 0.000 0.436 525 H N 1.758 120.758 119.070 -0.118 0.000 2.319 525 H HA 0.117 4.673 4.556 0.001 0.000 0.297 525 H C 2.686 177.979 175.328 -0.058 0.000 1.097 525 H CA 1.476 57.475 56.048 -0.083 0.000 1.285 525 H CB -1.133 28.575 29.762 -0.090 0.000 1.368 525 H HN 0.526 nan 8.280 nan 0.000 0.495 526 G N -0.268 108.587 108.800 0.090 0.000 2.476 526 G HA2 -0.384 3.576 3.960 0.001 0.000 0.218 526 G HA3 -0.384 3.576 3.960 0.001 0.000 0.218 526 G C 1.679 176.641 174.900 0.103 0.000 1.164 526 G CA 1.245 46.384 45.100 0.065 0.000 0.768 526 G HN 0.489 nan 8.290 nan 0.000 0.560 527 Y N 1.859 122.143 120.300 -0.026 0.000 2.097 527 Y HA -0.175 4.376 4.550 0.001 0.000 0.282 527 Y C 2.804 178.681 175.900 -0.037 0.000 1.152 527 Y CA 2.232 60.315 58.100 -0.028 0.000 1.136 527 Y CB -0.571 37.794 38.460 -0.158 0.000 0.975 527 Y HN 0.428 nan 8.280 nan 0.000 0.498 528 E N -0.000 120.044 120.200 -0.260 0.000 2.065 528 E HA -0.312 4.039 4.350 0.001 0.000 0.201 528 E C 2.372 178.821 176.600 -0.253 0.000 1.016 528 E CA 1.698 57.887 56.400 -0.352 0.000 0.818 528 E CB -0.364 29.198 29.700 -0.231 0.000 0.749 528 E HN 0.485 nan 8.360 nan 0.000 0.453 529 R N 0.125 120.549 120.500 -0.126 0.000 2.096 529 R HA -0.153 4.188 4.340 0.001 0.000 0.240 529 R C 2.565 178.820 176.300 -0.074 0.000 1.139 529 R CA 1.370 57.423 56.100 -0.078 0.000 0.952 529 R CB -0.666 29.620 30.300 -0.023 0.000 0.854 529 R HN 0.265 nan 8.270 nan 0.000 0.436 530 G N 0.260 109.047 108.800 -0.021 0.000 2.514 530 G HA2 -0.271 3.689 3.960 0.001 0.000 0.217 530 G HA3 -0.271 3.689 3.960 0.001 0.000 0.217 530 G C 1.445 176.303 174.900 -0.072 0.000 1.198 530 G CA 1.210 46.327 45.100 0.028 0.000 0.780 530 G HN 0.184 nan 8.290 nan 0.000 0.565 531 V N 1.789 121.611 119.914 -0.154 0.000 2.287 531 V HA -0.175 3.945 4.120 0.001 0.000 0.248 531 V C 3.372 179.319 176.094 -0.246 0.000 1.053 531 V CA 2.154 64.296 62.300 -0.263 0.000 1.027 531 V CB -1.156 30.366 31.823 -0.500 0.000 0.646 531 V HN 0.516 nan 8.190 nan 0.000 0.447 532 A N 0.958 123.648 122.820 -0.216 0.000 1.917 532 A HA -0.253 4.068 4.320 0.001 0.000 0.219 532 A C 2.486 179.977 177.584 -0.155 0.000 1.182 532 A CA 2.675 54.610 52.037 -0.169 0.000 0.633 532 A CB -0.794 18.124 19.000 -0.137 0.000 0.819 532 A HN 0.694 nan 8.150 nan 0.000 0.448 533 S N -0.085 115.537 115.700 -0.129 0.000 2.406 533 S HA 0.007 4.478 4.470 0.001 0.000 0.228 533 S C 1.774 176.306 174.600 -0.113 0.000 1.020 533 S CA 1.130 59.289 58.200 -0.067 0.000 0.965 533 S CB -0.604 62.602 63.200 0.011 0.000 0.798 533 S HN 0.510 nan 8.310 nan 0.000 0.488 534 I N 1.557 121.947 120.570 -0.299 0.000 2.394 534 I HA -0.099 4.071 4.170 0.001 0.000 0.251 534 I C 2.046 177.943 176.117 -0.367 0.000 1.136 534 I CA 1.106 62.059 61.300 -0.578 0.000 1.425 534 I CB -0.406 37.069 38.000 -0.874 0.000 1.079 534 I HN 0.277 nan 8.210 nan 0.000 0.425 535 L N 0.263 121.325 121.223 -0.269 0.000 2.313 535 L HA -0.095 4.245 4.340 0.001 0.000 0.214 535 L C 2.021 178.777 176.870 -0.190 0.000 1.119 535 L CA 0.986 55.704 54.840 -0.203 0.000 0.809 535 L CB -0.369 41.589 42.059 -0.168 0.000 0.933 535 L HN 0.162 nan 8.230 nan 0.000 0.449 536 K N -0.873 119.380 120.400 -0.245 0.000 2.426 536 K HA 0.062 4.382 4.320 0.001 0.000 0.193 536 K C -0.319 175.907 176.600 -0.623 0.000 1.028 536 K CA 0.376 56.426 56.287 -0.396 0.000 1.047 536 K CB 0.256 32.489 32.500 -0.445 0.000 0.821 536 K HN 0.359 nan 8.250 nan 0.000 0.513 537 H N -0.543 118.506 119.070 -0.035 0.000 2.600 537 H HA 0.235 4.792 4.556 0.001 0.000 0.224 537 H C 0.219 175.585 175.328 0.064 0.000 1.413 537 H CA -0.466 55.597 56.048 0.025 0.000 1.401 537 H CB 0.591 30.394 29.762 0.069 0.000 1.772 537 H HN -0.028 nan 8.280 nan 0.000 0.528 538 R N 0.974 121.521 120.500 0.079 0.000 2.092 538 R HA -0.076 4.264 4.340 0.001 0.000 0.226 538 R C 2.269 178.650 176.300 0.135 0.000 1.140 538 R CA 1.186 57.320 56.100 0.056 0.000 0.910 538 R CB -0.473 29.828 30.300 0.002 0.000 0.822 538 R HN 0.426 nan 8.270 nan 0.000 0.433 539 A N 2.499 125.383 122.820 0.106 0.000 1.887 539 A HA -0.246 4.075 4.320 0.001 0.000 0.225 539 A C -0.190 177.468 177.584 0.125 0.000 1.464 539 A CA 2.621 54.721 52.037 0.105 0.000 0.717 539 A CB -2.182 16.864 19.000 0.076 0.000 0.848 539 A HN 0.323 nan 8.150 nan 0.000 0.477 540 P HA -0.228 nan 4.420 nan 0.000 0.216 540 P C 1.234 178.558 177.300 0.040 0.000 1.157 540 P CA 2.068 65.180 63.100 0.020 0.000 0.880 540 P CB -0.391 31.267 31.700 -0.071 0.000 0.791 541 Y N -0.248 120.085 120.300 0.054 0.000 2.114 541 Y HA -0.148 4.403 4.550 0.001 0.000 0.284 541 Y C 2.874 179.013 175.900 0.399 0.000 1.143 541 Y CA 1.015 59.166 58.100 0.087 0.000 1.135 541 Y CB -1.510 36.743 38.460 -0.345 0.000 0.980 541 Y HN -0.232 nan 8.280 nan 0.000 0.499 542 L N -0.537 120.938 121.223 0.419 0.000 2.034 542 L HA -0.334 4.006 4.340 0.001 0.000 0.217 542 L C 2.386 179.504 176.870 0.413 0.000 1.077 542 L CA 1.445 56.537 54.840 0.421 0.000 0.769 542 L CB -0.767 41.445 42.059 0.254 0.000 0.890 542 L HN 0.296 nan 8.230 nan 0.000 0.435 543 L N -0.550 120.838 121.223 0.275 0.000 2.012 543 L HA -0.264 4.077 4.340 0.001 0.000 0.210 543 L C 2.445 179.427 176.870 0.188 0.000 1.073 543 L CA 1.586 56.539 54.840 0.188 0.000 0.748 543 L CB -0.406 41.716 42.059 0.105 0.000 0.891 543 L HN 0.352 nan 8.230 nan 0.000 0.431 544 I N -1.730 118.985 120.570 0.241 0.000 2.756 544 I HA -0.314 3.856 4.170 0.001 0.000 0.262 544 I C 2.441 178.618 176.117 0.100 0.000 1.225 544 I CA 1.105 62.518 61.300 0.188 0.000 1.472 544 I CB -0.085 38.052 38.000 0.229 0.000 1.094 544 I HN 0.260 nan 8.210 nan 0.000 0.454 545 Y N 1.472 121.806 120.300 0.057 0.000 2.163 545 Y HA -0.163 4.388 4.550 0.001 0.000 0.288 545 Y C 2.266 178.149 175.900 -0.029 0.000 1.136 545 Y CA 2.181 60.182 58.100 -0.165 0.000 1.147 545 Y CB -0.689 37.817 38.460 0.077 0.000 0.987 545 Y HN 0.003 nan 8.280 nan 0.000 0.509 546 V N -0.364 119.549 119.914 -0.002 0.000 2.278 546 V HA -0.376 3.744 4.120 0.001 0.000 0.251 546 V C 2.430 178.428 176.094 -0.160 0.000 1.062 546 V CA 1.893 64.130 62.300 -0.105 0.000 1.038 546 V CB -1.187 30.667 31.823 0.050 0.000 0.646 546 V HN 0.399 nan 8.190 nan 0.000 0.447 547 V N 0.904 120.760 119.914 -0.097 0.000 2.233 547 V HA -0.295 3.826 4.120 0.001 0.000 0.247 547 V C 2.263 178.269 176.094 -0.148 0.000 1.050 547 V CA 2.680 64.921 62.300 -0.099 0.000 1.010 547 V CB -0.616 31.169 31.823 -0.063 0.000 0.637 547 V HN 0.637 nan 8.190 nan 0.000 0.444 548 I N -1.457 118.994 120.570 -0.198 0.000 2.423 548 I HA -0.167 4.004 4.170 0.001 0.000 0.254 548 I C 2.313 178.293 176.117 -0.229 0.000 1.151 548 I CA 1.326 62.503 61.300 -0.206 0.000 1.421 548 I CB -1.000 36.856 38.000 -0.240 0.000 1.079 548 I HN 0.143 nan 8.210 nan 0.000 0.431 549 V N 2.020 121.728 119.914 -0.344 0.000 2.307 549 V HA -0.234 3.887 4.120 0.001 0.000 0.245 549 V C 3.167 179.184 176.094 -0.128 0.000 1.045 549 V CA 2.075 64.199 62.300 -0.292 0.000 1.024 549 V CB -0.902 30.670 31.823 -0.417 0.000 0.651 549 V HN 0.580 nan 8.190 nan 0.000 0.449 550 A N 0.531 123.288 122.820 -0.106 0.000 1.892 550 A HA -0.204 4.116 4.320 0.001 0.000 0.218 550 A C 2.387 179.985 177.584 0.023 0.000 1.188 550 A CA 2.216 54.237 52.037 -0.028 0.000 0.631 550 A CB -1.349 17.627 19.000 -0.041 0.000 0.822 550 A HN 0.573 nan 8.150 nan 0.000 0.447 551 G N -0.114 108.674 108.800 -0.020 0.000 2.470 551 G HA2 -0.167 3.793 3.960 0.001 0.000 0.220 551 G HA3 -0.167 3.793 3.960 0.001 0.000 0.220 551 G C 1.588 176.533 174.900 0.076 0.000 1.121 551 G CA 1.369 46.486 45.100 0.029 0.000 0.766 551 G HN 0.771 nan 8.290 nan 0.000 0.553 552 M N 0.526 120.124 119.600 -0.004 0.000 2.156 552 M HA 0.139 4.620 4.480 0.001 0.000 0.264 552 M C 2.457 178.745 176.300 -0.021 0.000 1.067 552 M CA 1.642 56.898 55.300 -0.073 0.000 1.131 552 M CB -0.488 32.068 32.600 -0.073 0.000 1.368 552 M HN 0.213 nan 8.290 nan 0.000 0.416 553 I N -1.575 119.062 120.570 0.111 0.000 2.493 553 I HA -0.134 4.037 4.170 0.001 0.000 0.254 553 I C 2.455 178.690 176.117 0.197 0.000 1.160 553 I CA 0.979 62.401 61.300 0.204 0.000 1.445 553 I CB -0.937 37.157 38.000 0.157 0.000 1.086 553 I HN 0.661 nan 8.210 nan 0.000 0.433 554 W N 2.329 123.632 121.300 0.005 0.000 2.354 554 W HA -0.181 4.479 4.660 0.001 0.000 0.315 554 W C 2.280 178.792 176.519 -0.012 0.000 1.206 554 W CA 1.323 58.667 57.345 -0.002 0.000 1.290 554 W CB -0.321 29.123 29.460 -0.026 0.000 1.152 554 W HN 0.131 nan 8.180 nan 0.000 0.489 555 M N 0.000 119.585 119.600 -0.026 0.000 2.267 555 M HA -0.196 4.285 4.480 0.001 0.000 0.263 555 M C 2.044 178.207 176.300 -0.228 0.000 1.063 555 M CA 1.449 56.633 55.300 -0.193 0.000 1.090 555 M CB -1.726 30.790 32.600 -0.141 0.000 1.392 555 M HN 0.053 nan 8.290 nan 0.000 0.422 556 F N 0.468 120.364 119.950 -0.090 0.000 2.259 556 F HA -0.143 4.384 4.527 0.001 0.000 0.298 556 F C 2.449 178.163 175.800 -0.143 0.000 1.088 556 F CA 1.314 59.269 58.000 -0.075 0.000 1.358 556 F CB -0.196 38.791 39.000 -0.021 0.000 1.040 556 F HN 0.251 nan 8.300 nan 0.000 0.505 557 T N -2.596 111.928 114.554 -0.050 0.000 3.219 557 T HA 0.083 4.434 4.350 0.001 0.000 0.249 557 T C 1.313 175.810 174.700 -0.338 0.000 1.099 557 T CA 0.060 62.058 62.100 -0.171 0.000 0.988 557 T CB 0.004 68.758 68.868 -0.190 0.000 0.999 557 T HN 0.020 nan 8.240 nan 0.000 0.550 558 R N -0.049 120.235 120.500 -0.361 0.000 2.544 558 R HA 0.440 4.780 4.340 0.001 0.000 0.426 558 R C -1.067 175.106 176.300 -0.211 0.000 0.943 558 R CA -0.353 55.515 56.100 -0.386 0.000 1.162 558 R CB 0.363 30.256 30.300 -0.679 0.000 1.588 558 R HN 0.491 nan 8.270 nan 0.000 0.563 559 I N 1.301 121.790 120.570 -0.136 0.000 2.509 559 I HA 0.464 4.635 4.170 0.001 0.000 0.293 559 I C -2.453 173.624 176.117 -0.068 0.000 1.020 559 I CA -2.421 58.819 61.300 -0.102 0.000 1.088 559 I CB 1.780 39.724 38.000 -0.093 0.000 1.267 559 I HN -0.098 nan 8.210 nan 0.000 0.430 560 P HA 0.118 nan 4.420 nan 0.000 0.262 560 P C -0.042 177.246 177.300 -0.021 0.000 1.182 560 P CA 0.154 63.225 63.100 -0.048 0.000 0.761 560 P CB 0.200 31.866 31.700 -0.057 0.000 0.795 561 T N 0.331 114.888 114.554 0.004 0.000 3.169 561 T HA 0.240 4.591 4.350 0.001 0.000 0.250 561 T C 0.955 175.695 174.700 0.066 0.000 1.111 561 T CA -0.107 62.014 62.100 0.035 0.000 1.010 561 T CB -0.224 68.660 68.868 0.028 0.000 0.984 561 T HN 0.530 nan 8.240 nan 0.000 0.537 562 A N 1.352 124.205 122.820 0.055 0.000 2.577 562 A HA 0.339 4.660 4.320 0.001 0.000 0.233 562 A C 0.579 178.268 177.584 0.174 0.000 1.076 562 A CA -0.282 51.812 52.037 0.095 0.000 0.767 562 A CB -0.150 18.884 19.000 0.056 0.000 1.017 562 A HN 0.296 nan 8.150 nan 0.000 0.511 563 F N 1.113 121.073 119.950 0.018 0.000 2.119 563 F HA 0.378 4.906 4.527 0.001 0.000 0.187 563 F C 1.155 176.985 175.800 0.050 0.000 0.689 563 F CA 0.254 58.267 58.000 0.021 0.000 1.117 563 F CB -0.385 38.618 39.000 0.004 0.000 2.200 563 F HN 0.682 nan 8.300 nan 0.000 0.659 564 L N 0.684 121.674 121.223 -0.388 0.000 2.472 564 L HA 0.413 4.754 4.340 0.001 0.000 0.260 564 L C -2.526 174.334 176.870 -0.017 0.000 1.209 564 L CA -1.712 52.996 54.840 -0.221 0.000 0.817 564 L CB -0.448 41.433 42.059 -0.296 0.000 1.106 564 L HN 0.218 nan 8.230 nan 0.000 0.479 565 P HA 0.097 nan 4.420 nan 0.000 0.273 565 P C -1.662 175.630 177.300 -0.013 0.000 1.258 565 P CA 0.044 63.102 63.100 -0.070 0.000 0.802 565 P CB 0.278 31.845 31.700 -0.221 0.000 1.040 566 D N -0.478 119.910 120.400 -0.020 0.000 2.425 566 D HA 0.332 4.972 4.640 0.001 0.000 0.240 566 D C -0.061 176.334 176.300 0.159 0.000 1.080 566 D CA -0.429 53.632 54.000 0.102 0.000 0.836 566 D CB 1.143 41.939 40.800 -0.006 0.000 1.125 566 D HN 0.252 nan 8.370 nan 0.000 0.525 567 E N 0.468 120.814 120.200 0.244 0.000 2.803 567 E HA 0.255 4.605 4.350 0.001 0.000 0.250 567 E C -0.313 176.507 176.600 0.367 0.000 1.102 567 E CA -0.681 55.857 56.400 0.230 0.000 1.017 567 E CB 1.200 30.973 29.700 0.123 0.000 1.346 567 E HN 0.349 nan 8.360 nan 0.000 0.532 568 D N 0.577 121.193 120.400 0.360 0.000 2.788 568 D HA 0.032 4.672 4.640 0.001 0.000 0.289 568 D C -0.786 175.771 176.300 0.429 0.000 1.340 568 D CA -0.036 54.180 54.000 0.360 0.000 0.831 568 D CB 0.394 41.501 40.800 0.511 0.000 1.103 568 D HN 0.352 nan 8.370 nan 0.000 0.476 569 Q N -0.013 120.021 119.800 0.391 0.000 2.618 569 Q HA 0.014 4.354 4.340 0.001 0.000 0.344 569 Q C 1.053 177.027 176.000 -0.043 0.000 1.073 569 Q CA 0.361 56.330 55.803 0.276 0.000 1.105 569 Q CB 0.058 28.926 28.738 0.217 0.000 1.028 569 Q HN 0.209 nan 8.270 nan 0.000 0.397 570 G N 2.668 111.291 108.800 -0.295 0.000 2.894 570 G HA2 0.278 4.238 3.960 0.001 0.000 0.265 570 G HA3 0.278 4.238 3.960 0.001 0.000 0.265 570 G C -0.189 174.628 174.900 -0.139 0.000 0.735 570 G CA 0.010 44.879 45.100 -0.384 0.000 2.064 570 G HN 0.487 nan 8.290 nan 0.000 0.590 571 V N -1.216 118.645 119.914 -0.088 0.000 3.000 571 V HA 0.754 4.874 4.120 0.001 0.000 0.300 571 V C -0.887 175.119 176.094 -0.148 0.000 1.251 571 V CA -1.393 60.900 62.300 -0.011 0.000 0.972 571 V CB 1.995 33.898 31.823 0.135 0.000 1.065 571 V HN 0.174 nan 8.190 nan 0.000 0.431 572 L N 3.602 124.777 121.223 -0.081 0.000 2.408 572 L HA 0.709 5.050 4.340 0.001 0.000 0.268 572 L C -1.208 175.655 176.870 -0.011 0.000 0.986 572 L CA -0.522 54.219 54.840 -0.164 0.000 0.820 572 L CB 2.149 44.160 42.059 -0.081 0.000 1.303 572 L HN 0.775 nan 8.230 nan 0.000 0.411 573 F N 2.832 122.598 119.950 -0.306 0.000 2.379 573 F HA 0.656 5.184 4.527 0.001 0.000 0.332 573 F C 0.515 176.025 175.800 -0.484 0.000 1.096 573 F CA -0.938 56.792 58.000 -0.450 0.000 1.105 573 F CB 1.875 40.409 39.000 -0.777 0.000 1.189 573 F HN 0.508 nan 8.300 nan 0.000 0.515 574 A N 3.521 126.254 122.820 -0.145 0.000 2.457 574 A HA 0.307 4.628 4.320 0.001 0.000 0.283 574 A C -1.021 176.435 177.584 -0.214 0.000 1.166 574 A CA -0.554 51.379 52.037 -0.174 0.000 0.740 574 A CB 1.105 19.957 19.000 -0.246 0.000 1.181 574 A HN 0.757 nan 8.150 nan 0.000 0.446 575 Q N 2.437 122.222 119.800 -0.025 0.000 2.360 575 Q HA 0.540 4.880 4.340 0.001 0.000 0.254 575 Q C -1.255 174.682 176.000 -0.106 0.000 0.975 575 Q CA -0.276 55.494 55.803 -0.055 0.000 0.912 575 Q CB 1.159 30.007 28.738 0.183 0.000 1.212 575 Q HN 0.534 nan 8.270 nan 0.000 0.452 576 V N 4.365 124.150 119.914 -0.215 0.000 2.427 576 V HA 0.332 4.453 4.120 0.001 0.000 0.286 576 V C -0.241 175.754 176.094 -0.166 0.000 1.034 576 V CA -0.501 61.655 62.300 -0.241 0.000 0.893 576 V CB 1.665 33.313 31.823 -0.290 0.000 0.982 576 V HN 0.766 nan 8.190 nan 0.000 0.452 577 Q N 2.307 122.018 119.800 -0.149 0.000 2.786 577 Q HA 0.242 4.583 4.340 0.001 0.000 0.240 577 Q C -0.262 175.685 176.000 -0.088 0.000 0.928 577 Q CA -0.214 55.534 55.803 -0.091 0.000 0.721 577 Q CB 2.043 30.759 28.738 -0.037 0.000 1.318 577 Q HN 0.891 nan 8.270 nan 0.000 0.474 578 T N 1.908 116.416 114.554 -0.078 0.000 2.900 578 T HA 0.241 4.592 4.350 0.001 0.000 0.307 578 T C -2.165 172.518 174.700 -0.027 0.000 1.065 578 T CA -0.880 61.186 62.100 -0.055 0.000 1.105 578 T CB 0.488 69.329 68.868 -0.044 0.000 0.979 578 T HN 0.174 nan 8.240 nan 0.000 0.544 579 P HA 0.120 nan 4.420 nan 0.000 0.270 579 P C -2.364 174.945 177.300 0.016 0.000 1.216 579 P CA -0.824 62.275 63.100 -0.001 0.000 0.788 579 P CB -0.604 31.094 31.700 -0.003 0.000 0.883 580 P HA -0.082 nan 4.420 nan 0.000 0.270 580 P C 1.079 178.405 177.300 0.044 0.000 1.216 580 P CA 1.569 64.706 63.100 0.062 0.000 0.788 580 P CB -0.092 31.670 31.700 0.103 0.000 0.883 581 G N 0.627 109.461 108.800 0.058 0.000 2.846 581 G HA2 -0.314 3.647 3.960 0.001 0.000 0.317 581 G HA3 -0.314 3.647 3.960 0.001 0.000 0.317 581 G C 0.402 175.326 174.900 0.040 0.000 1.210 581 G CA 0.691 45.821 45.100 0.050 0.000 0.972 581 G HN 0.816 nan 8.290 nan 0.000 0.567 582 S N -2.135 113.577 115.700 0.020 0.000 3.160 582 S HA 0.152 4.623 4.470 0.001 0.000 0.634 582 S C 0.245 174.859 174.600 0.024 0.000 2.861 582 S CA 1.948 60.156 58.200 0.014 0.000 3.097 582 S CB -1.295 61.909 63.200 0.007 0.000 0.331 582 S HN 2.703 nan 8.310 nan 0.000 1.767 583 S N -1.213 114.497 115.700 0.017 0.000 2.587 583 S HA 0.661 5.132 4.470 0.001 0.000 0.269 583 S C 0.176 174.785 174.600 0.015 0.000 1.154 583 S CA 0.382 58.596 58.200 0.022 0.000 0.824 583 S CB 1.187 64.398 63.200 0.018 0.000 1.118 583 S HN 1.881 nan 8.310 nan 0.000 0.462 584 A N 1.054 123.887 122.820 0.022 0.000 2.239 584 A HA 0.191 4.512 4.320 0.001 0.000 0.209 584 A C 1.420 179.006 177.584 0.004 0.000 1.171 584 A CA 0.983 53.031 52.037 0.018 0.000 0.768 584 A CB -0.517 18.503 19.000 0.033 0.000 0.790 584 A HN 0.794 nan 8.150 nan 0.000 0.478 585 E N -0.969 119.231 120.200 -0.000 0.000 2.175 585 E HA 0.032 4.382 4.350 0.001 0.000 0.195 585 E C 2.078 178.672 176.600 -0.010 0.000 0.934 585 E CA -0.204 56.192 56.400 -0.007 0.000 0.870 585 E CB 0.075 29.770 29.700 -0.007 0.000 0.838 585 E HN 0.499 nan 8.360 nan 0.000 0.474 586 R N 0.470 120.965 120.500 -0.007 0.000 2.109 586 R HA -0.141 4.200 4.340 0.001 0.000 0.227 586 R C 2.572 178.860 176.300 -0.021 0.000 1.132 586 R CA 2.068 58.163 56.100 -0.009 0.000 0.907 586 R CB -0.948 29.348 30.300 -0.007 0.000 0.825 586 R HN 0.130 nan 8.270 nan 0.000 0.432 587 T N 0.622 115.159 114.554 -0.029 0.000 2.685 587 T HA -0.217 4.133 4.350 0.001 0.000 0.268 587 T C 1.883 176.546 174.700 -0.062 0.000 1.034 587 T CA 1.457 63.525 62.100 -0.054 0.000 1.149 587 T CB -0.125 68.713 68.868 -0.050 0.000 0.860 587 T HN 0.184 nan 8.240 nan 0.000 0.449 588 Q N -0.023 119.751 119.800 -0.043 0.000 2.439 588 Q HA -0.013 4.328 4.340 0.001 0.000 0.211 588 Q C 2.083 178.056 176.000 -0.045 0.000 0.978 588 Q CA 0.740 56.515 55.803 -0.046 0.000 0.897 588 Q CB -0.263 28.456 28.738 -0.031 0.000 0.956 588 Q HN 0.495 nan 8.270 nan 0.000 0.483 589 V N -1.188 118.706 119.914 -0.033 0.000 3.212 589 V HA -0.077 4.044 4.120 0.001 0.000 0.244 589 V C 2.001 178.090 176.094 -0.008 0.000 1.151 589 V CA 0.439 62.731 62.300 -0.013 0.000 1.119 589 V CB 0.458 32.284 31.823 0.005 0.000 0.838 589 V HN 0.019 nan 8.190 nan 0.000 0.470 590 V N 0.388 120.281 119.914 -0.035 0.000 2.392 590 V HA -0.212 3.909 4.120 0.001 0.000 0.249 590 V C 2.360 178.355 176.094 -0.166 0.000 1.059 590 V CA 2.348 64.599 62.300 -0.083 0.000 1.051 590 V CB -0.522 31.213 31.823 -0.147 0.000 0.658 590 V HN 0.462 nan 8.190 nan 0.000 0.455 591 V N -0.459 119.362 119.914 -0.155 0.000 2.649 591 V HA -0.113 4.008 4.120 0.001 0.000 0.248 591 V C 2.112 178.147 176.094 -0.099 0.000 1.054 591 V CA 1.484 63.678 62.300 -0.177 0.000 1.073 591 V CB -0.623 31.094 31.823 -0.178 0.000 0.699 591 V HN 0.455 nan 8.190 nan 0.000 0.463 592 D N 0.894 121.257 120.400 -0.060 0.000 2.221 592 D HA -0.140 4.501 4.640 0.001 0.000 0.204 592 D C 2.405 178.716 176.300 0.018 0.000 0.982 592 D CA 1.708 55.689 54.000 -0.030 0.000 0.857 592 D CB -0.081 40.705 40.800 -0.023 0.000 0.934 592 D HN 0.602 nan 8.370 nan 0.000 0.475 593 S N -0.567 115.170 115.700 0.061 0.000 2.395 593 S HA -0.073 4.398 4.470 0.001 0.000 0.225 593 S C 2.003 176.729 174.600 0.209 0.000 1.027 593 S CA 0.355 58.654 58.200 0.166 0.000 0.965 593 S CB -0.291 63.090 63.200 0.301 0.000 0.812 593 S HN 0.171 nan 8.310 nan 0.000 0.482 594 M N 2.047 121.730 119.600 0.138 0.000 2.267 594 M HA -0.110 4.371 4.480 0.001 0.000 0.263 594 M C 2.504 178.922 176.300 0.198 0.000 1.063 594 M CA 1.799 57.240 55.300 0.235 0.000 1.090 594 M CB -0.689 31.863 32.600 -0.080 0.000 1.392 594 M HN 0.572 nan 8.290 nan 0.000 0.422 595 R N 1.101 121.643 120.500 0.070 0.000 2.092 595 R HA -0.102 4.239 4.340 0.001 0.000 0.231 595 R C 1.534 177.845 176.300 0.018 0.000 1.119 595 R CA 1.643 57.751 56.100 0.013 0.000 0.970 595 R CB -0.455 29.817 30.300 -0.047 0.000 0.864 595 R HN 0.414 nan 8.270 nan 0.000 0.440 596 E N 0.374 120.607 120.200 0.056 0.000 2.016 596 E HA -0.226 4.125 4.350 0.001 0.000 0.190 596 E C 1.837 178.458 176.600 0.035 0.000 0.985 596 E CA 1.375 57.800 56.400 0.042 0.000 0.802 596 E CB -0.454 29.290 29.700 0.073 0.000 0.762 596 E HN 0.372 nan 8.360 nan 0.000 0.448 597 Y N 1.823 122.101 120.300 -0.038 0.000 2.181 597 Y HA -0.275 4.275 4.550 0.001 0.000 0.284 597 Y C 1.817 177.625 175.900 -0.153 0.000 1.179 597 Y CA 1.521 59.517 58.100 -0.174 0.000 1.179 597 Y CB -0.251 37.914 38.460 -0.490 0.000 0.973 597 Y HN -0.037 nan 8.280 nan 0.000 0.519 598 L N -0.570 120.480 121.223 -0.289 0.000 2.095 598 L HA -0.118 4.222 4.340 0.001 0.000 0.204 598 L C 1.874 178.596 176.870 -0.246 0.000 1.080 598 L CA 0.833 55.467 54.840 -0.342 0.000 0.759 598 L CB -0.319 41.693 42.059 -0.079 0.000 0.914 598 L HN 0.186 nan 8.230 nan 0.000 0.439 599 L N -0.539 120.594 121.223 -0.149 0.000 2.645 599 L HA 0.055 4.395 4.340 0.001 0.000 0.234 599 L C 1.025 177.831 176.870 -0.107 0.000 1.165 599 L CA 0.340 55.110 54.840 -0.117 0.000 0.944 599 L CB -0.040 41.963 42.059 -0.093 0.000 1.149 599 L HN 0.283 nan 8.230 nan 0.000 0.446 600 E N -1.306 118.810 120.200 -0.140 0.000 2.679 600 E HA 0.080 4.430 4.350 0.001 0.000 0.221 600 E C 0.841 177.365 176.600 -0.126 0.000 0.928 600 E CA 0.038 56.378 56.400 -0.099 0.000 1.296 600 E CB 0.770 30.441 29.700 -0.049 0.000 1.235 600 E HN 0.280 nan 8.360 nan 0.000 0.622 601 K N 0.058 120.317 120.400 -0.236 0.000 2.550 601 K HA 0.148 4.469 4.320 0.001 0.000 0.205 601 K C 0.626 177.072 176.600 -0.257 0.000 1.429 601 K CA 0.274 56.415 56.287 -0.243 0.000 0.997 601 K CB 0.842 33.155 32.500 -0.312 0.000 1.328 601 K HN -0.186 nan 8.250 nan 0.000 0.546 602 E N 1.105 121.108 120.200 -0.328 0.000 2.585 602 E HA 0.031 4.382 4.350 0.001 0.000 0.206 602 E C 0.693 177.200 176.600 -0.155 0.000 1.007 602 E CA -0.084 56.177 56.400 -0.233 0.000 1.028 602 E CB 0.726 30.261 29.700 -0.276 0.000 1.087 602 E HN 0.188 nan 8.360 nan 0.000 0.455 603 S N -1.092 114.528 115.700 -0.134 0.000 2.595 603 S HA -0.143 4.328 4.470 0.001 0.000 0.235 603 S C 1.742 176.300 174.600 -0.069 0.000 0.974 603 S CA 0.875 59.019 58.200 -0.095 0.000 0.942 603 S CB -0.283 62.869 63.200 -0.081 0.000 0.766 603 S HN 0.205 nan 8.310 nan 0.000 0.536 604 S N 0.896 116.555 115.700 -0.067 0.000 2.562 604 S HA 0.129 4.599 4.470 0.001 0.000 0.221 604 S C 1.428 176.002 174.600 -0.043 0.000 0.975 604 S CA 0.377 58.550 58.200 -0.046 0.000 0.918 604 S CB -0.283 62.895 63.200 -0.037 0.000 0.772 604 S HN 0.729 nan 8.310 nan 0.000 0.531 605 S N -0.763 114.903 115.700 -0.057 0.000 2.612 605 S HA 0.314 4.785 4.470 0.001 0.000 0.278 605 S C -0.086 174.471 174.600 -0.071 0.000 1.082 605 S CA -0.278 57.888 58.200 -0.058 0.000 1.185 605 S CB 0.241 63.412 63.200 -0.049 0.000 1.077 605 S HN 0.208 nan 8.310 nan 0.000 0.585 606 V N 3.116 122.986 119.914 -0.073 0.000 2.333 606 V HA 0.496 4.617 4.120 0.001 0.000 0.274 606 V C 1.351 177.411 176.094 -0.057 0.000 1.028 606 V CA 0.037 62.297 62.300 -0.066 0.000 0.851 606 V CB 1.101 32.879 31.823 -0.074 0.000 1.000 606 V HN 0.454 nan 8.190 nan 0.000 0.456 607 S N 4.356 120.032 115.700 -0.041 0.000 2.335 607 S HA -0.005 4.466 4.470 0.001 0.000 0.217 607 S C 0.856 175.442 174.600 -0.024 0.000 1.032 607 S CA 1.228 59.415 58.200 -0.022 0.000 0.985 607 S CB 0.178 63.379 63.200 0.001 0.000 0.896 607 S HN 1.000 nan 8.310 nan 0.000 0.445 608 S N -0.729 114.968 115.700 -0.006 0.000 2.570 608 S HA 0.722 5.192 4.470 0.001 0.000 0.270 608 S C -1.343 173.233 174.600 -0.041 0.000 1.149 608 S CA -0.876 57.275 58.200 -0.083 0.000 0.837 608 S CB 1.939 65.112 63.200 -0.044 0.000 1.124 608 S HN 0.169 nan 8.310 nan 0.000 0.465 609 V N 1.849 121.660 119.914 -0.172 0.000 2.487 609 V HA 0.575 4.696 4.120 0.001 0.000 0.298 609 V C -1.413 174.685 176.094 0.006 0.000 1.028 609 V CA -0.549 61.736 62.300 -0.025 0.000 0.860 609 V CB 1.397 33.191 31.823 -0.048 0.000 0.991 609 V HN 0.894 nan 8.190 nan 0.000 0.427 610 F N 3.843 123.873 119.950 0.134 0.000 2.375 610 F HA 0.625 5.152 4.527 0.001 0.000 0.361 610 F C 0.313 176.182 175.800 0.115 0.000 1.117 610 F CA -0.019 58.138 58.000 0.261 0.000 1.037 610 F CB 1.533 40.806 39.000 0.454 0.000 1.192 610 F HN 0.534 nan 8.300 nan 0.000 0.452 611 T N 4.992 119.514 114.554 -0.055 0.000 2.888 611 T HA 0.771 5.121 4.350 0.001 0.000 0.284 611 T C -1.579 173.057 174.700 -0.106 0.000 1.017 611 T CA -0.502 61.543 62.100 -0.091 0.000 1.022 611 T CB 1.380 70.166 68.868 -0.136 0.000 1.013 611 T HN 0.386 nan 8.240 nan 0.000 0.465 612 V N 2.824 122.686 119.914 -0.087 0.000 2.841 612 V HA 0.706 4.827 4.120 0.001 0.000 0.310 612 V C -0.112 175.973 176.094 -0.015 0.000 1.090 612 V CA -0.646 61.649 62.300 -0.009 0.000 0.930 612 V CB 2.519 34.447 31.823 0.175 0.000 1.014 612 V HN 1.075 nan 8.190 nan 0.000 0.425 613 T N 2.115 116.682 114.554 0.021 0.000 2.887 613 T HA 0.633 4.984 4.350 0.001 0.000 0.288 613 T C 0.497 175.253 174.700 0.095 0.000 1.021 613 T CA 0.721 62.835 62.100 0.023 0.000 1.000 613 T CB 1.308 70.172 68.868 -0.006 0.000 1.034 613 T HN 1.868 nan 8.240 nan 0.000 0.467 614 G N 2.297 111.150 108.800 0.088 0.000 2.149 614 G HA2 -0.141 3.820 3.960 0.001 0.000 0.235 614 G HA3 -0.141 3.820 3.960 0.001 0.000 0.235 614 G C -0.170 174.870 174.900 0.234 0.000 1.018 614 G CA 0.366 45.543 45.100 0.129 0.000 0.728 614 G HN 1.127 nan 8.290 nan 0.000 0.508 615 F N 0.052 120.005 119.950 0.004 0.000 2.651 615 F HA 0.635 5.163 4.527 0.001 0.000 0.327 615 F C -1.253 174.506 175.800 -0.068 0.000 1.133 615 F CA -1.266 56.740 58.000 0.010 0.000 1.076 615 F CB 0.977 40.019 39.000 0.069 0.000 1.315 615 F HN 0.020 nan 8.300 nan 0.000 0.499 616 N N 3.383 121.578 118.700 -0.843 0.000 3.091 616 N HA 0.512 5.253 4.740 0.001 0.000 0.329 616 N C -0.068 174.933 175.510 -0.849 0.000 1.430 616 N CA -0.716 51.839 53.050 -0.825 0.000 0.755 616 N CB 1.021 39.309 38.487 -0.330 0.000 1.626 616 N HN 0.633 nan 8.380 nan 0.000 0.614 617 F N -0.146 119.570 119.950 -0.390 0.000 2.765 617 F HA 0.303 4.830 4.527 0.001 0.000 0.302 617 F C 1.373 177.103 175.800 -0.118 0.000 1.111 617 F CA -0.048 57.833 58.000 -0.199 0.000 1.359 617 F CB 0.551 39.504 39.000 -0.078 0.000 1.097 617 F HN 0.446 nan 8.300 nan 0.000 0.577 618 A N 0.014 122.851 122.820 0.028 0.000 2.585 618 A HA 0.639 4.960 4.320 0.001 0.000 0.266 618 A C 0.566 178.153 177.584 0.006 0.000 1.178 618 A CA 0.347 52.394 52.037 0.016 0.000 0.966 618 A CB 0.070 19.071 19.000 0.001 0.000 1.170 618 A HN 0.234 nan 8.150 nan 0.000 0.558 619 G N -0.531 108.261 108.800 -0.013 0.000 2.384 619 G HA2 0.433 4.394 3.960 0.001 0.000 0.300 619 G HA3 0.433 4.394 3.960 0.001 0.000 0.300 619 G C -1.328 173.589 174.900 0.029 0.000 1.582 619 G CA -0.934 44.179 45.100 0.023 0.000 0.875 619 G HN 0.236 nan 8.290 nan 0.000 0.628 620 R N -0.448 120.110 120.500 0.097 0.000 2.598 620 R HA 0.815 5.156 4.340 0.001 0.000 0.279 620 R C 0.424 176.787 176.300 0.105 0.000 0.984 620 R CA 0.449 56.635 56.100 0.143 0.000 0.999 620 R CB 1.803 32.215 30.300 0.186 0.000 1.114 620 R HN 1.890 nan 8.270 nan 0.000 0.493 621 G N 0.429 109.295 108.800 0.110 0.000 2.347 621 G HA2 -0.139 3.822 3.960 0.001 0.000 0.477 621 G HA3 -0.139 3.822 3.960 0.001 0.000 0.477 621 G C -0.117 174.826 174.900 0.072 0.000 1.349 621 G CA -0.752 44.401 45.100 0.088 0.000 1.000 621 G HN 0.561 nan 8.290 nan 0.000 0.605 622 Q N -0.413 119.425 119.800 0.064 0.000 2.245 622 Q HA 0.015 4.356 4.340 0.001 0.000 0.201 622 Q C 2.318 178.333 176.000 0.025 0.000 0.955 622 Q CA 1.375 57.207 55.803 0.048 0.000 0.870 622 Q CB -0.016 28.753 28.738 0.052 0.000 0.945 622 Q HN 0.868 nan 8.270 nan 0.000 0.461 623 S N 0.408 116.123 115.700 0.025 0.000 2.871 623 S HA 0.138 4.608 4.470 0.001 0.000 0.254 623 S C -0.016 174.575 174.600 -0.015 0.000 1.088 623 S CA -0.157 58.047 58.200 0.007 0.000 1.166 623 S CB -0.322 62.891 63.200 0.021 0.000 0.826 623 S HN 0.194 nan 8.310 nan 0.000 0.471 624 S N -1.400 114.284 115.700 -0.026 0.000 2.584 624 S HA 0.748 5.219 4.470 0.001 0.000 0.280 624 S C -0.427 174.124 174.600 -0.081 0.000 1.162 624 S CA -0.456 57.706 58.200 -0.064 0.000 0.951 624 S CB 1.008 64.172 63.200 -0.060 0.000 1.108 624 S HN 0.775 nan 8.310 nan 0.000 0.464 625 G N 1.819 110.535 108.800 -0.139 0.000 2.725 625 G HA2 0.786 4.746 3.960 0.001 0.000 0.288 625 G HA3 0.786 4.746 3.960 0.001 0.000 0.288 625 G C -1.521 173.220 174.900 -0.264 0.000 1.399 625 G CA -0.927 44.079 45.100 -0.158 0.000 0.859 625 G HN 0.680 nan 8.290 nan 0.000 0.479 626 M N -0.433 118.985 119.600 -0.303 0.000 2.569 626 M HA 0.653 5.133 4.480 0.001 0.000 0.279 626 M C -1.216 174.799 176.300 -0.475 0.000 1.253 626 M CA -0.782 54.228 55.300 -0.484 0.000 0.867 626 M CB 2.351 34.513 32.600 -0.730 0.000 1.727 626 M HN 0.917 nan 8.290 nan 0.000 0.467 627 A N 1.910 124.414 122.820 -0.527 0.000 2.375 627 A HA 0.780 5.100 4.320 0.001 0.000 0.295 627 A C -1.621 175.777 177.584 -0.311 0.000 1.066 627 A CA -0.494 51.331 52.037 -0.353 0.000 0.722 627 A CB 0.532 19.410 19.000 -0.202 0.000 1.206 627 A HN 0.683 nan 8.150 nan 0.000 0.435 628 F N 3.451 123.489 119.950 0.146 0.000 2.406 628 F HA 0.324 4.851 4.527 0.001 0.000 0.358 628 F C 0.310 176.237 175.800 0.211 0.000 1.161 628 F CA -0.217 57.919 58.000 0.228 0.000 1.185 628 F CB 0.396 39.528 39.000 0.220 0.000 1.421 628 F HN 0.386 nan 8.300 nan 0.000 0.576 629 I N 4.762 125.501 120.570 0.280 0.000 2.505 629 I HA 0.053 4.224 4.170 0.001 0.000 0.287 629 I C -0.028 176.183 176.117 0.156 0.000 1.104 629 I CA 0.034 61.435 61.300 0.169 0.000 1.387 629 I CB 0.193 38.252 38.000 0.097 0.000 1.404 629 I HN 0.342 nan 8.210 nan 0.000 0.528 630 M N 7.547 127.236 119.600 0.148 0.000 2.238 630 M HA 0.489 4.969 4.480 0.001 0.000 0.350 630 M C -0.402 175.906 176.300 0.013 0.000 1.138 630 M CA -0.560 54.803 55.300 0.106 0.000 1.040 630 M CB 1.198 33.904 32.600 0.177 0.000 1.639 630 M HN 0.414 nan 8.290 nan 0.000 0.451 631 L N 2.158 123.341 121.223 -0.068 0.000 2.344 631 L HA 0.478 4.818 4.340 0.001 0.000 0.272 631 L C 0.689 177.463 176.870 -0.161 0.000 1.035 631 L CA -1.027 53.738 54.840 -0.126 0.000 0.807 631 L CB 1.071 43.016 42.059 -0.190 0.000 1.237 631 L HN 0.627 nan 8.230 nan 0.000 0.442 632 K N 1.667 121.988 120.400 -0.131 0.000 2.440 632 K HA 0.101 4.421 4.320 0.001 0.000 0.270 632 K C -2.215 174.261 176.600 -0.206 0.000 0.980 632 K CA -1.327 54.888 56.287 -0.120 0.000 0.953 632 K CB -0.223 32.232 32.500 -0.075 0.000 0.925 632 K HN 0.279 nan 8.250 nan 0.000 0.497 633 P HA -0.171 nan 4.420 nan 0.000 0.271 633 P C -0.053 177.144 177.300 -0.171 0.000 1.212 633 P CA 0.325 63.301 63.100 -0.206 0.000 0.788 633 P CB 0.275 31.951 31.700 -0.041 0.000 0.865 634 W N 0.432 121.734 121.300 0.002 0.000 2.338 634 W HA -0.182 4.479 4.660 0.001 0.000 0.304 634 W C 2.156 178.681 176.519 0.009 0.000 1.212 634 W CA 1.283 58.632 57.345 0.006 0.000 1.264 634 W CB -1.140 28.325 29.460 0.009 0.000 1.142 634 W HN 0.450 nan 8.180 nan 0.000 0.512 635 E N 0.639 120.975 120.200 0.227 0.000 2.017 635 E HA -0.193 4.158 4.350 0.001 0.000 0.193 635 E C 1.537 178.185 176.600 0.081 0.000 0.997 635 E CA 1.590 58.070 56.400 0.133 0.000 0.804 635 E CB -0.832 28.926 29.700 0.097 0.000 0.757 635 E HN 0.314 nan 8.360 nan 0.000 0.448 636 E N 0.659 120.889 120.200 0.050 0.000 2.533 636 E HA -0.106 4.245 4.350 0.001 0.000 0.203 636 E C -0.314 176.294 176.600 0.012 0.000 1.101 636 E CA 0.301 56.714 56.400 0.022 0.000 0.894 636 E CB -0.163 29.539 29.700 0.004 0.000 0.843 636 E HN 0.121 nan 8.360 nan 0.000 0.552 637 R N -1.276 119.240 120.500 0.027 0.000 2.734 637 R HA 0.268 4.609 4.340 0.001 0.000 0.242 637 R C -3.037 173.296 176.300 0.055 0.000 1.617 637 R CA -1.682 54.431 56.100 0.022 0.000 1.572 637 R CB -0.599 29.694 30.300 -0.011 0.000 1.477 637 R HN -0.136 nan 8.270 nan 0.000 0.707 638 P HA 0.476 nan 4.420 nan 0.000 0.293 638 P C 0.025 177.365 177.300 0.067 0.000 1.298 638 P CA 0.304 63.451 63.100 0.078 0.000 0.757 638 P CB 0.437 32.178 31.700 0.068 0.000 1.262 639 G N -1.778 107.064 108.800 0.069 0.000 2.854 639 G HA2 -0.013 3.947 3.960 0.001 0.000 0.686 639 G HA3 -0.013 3.947 3.960 0.001 0.000 0.686 639 G C 0.946 175.889 174.900 0.071 0.000 1.202 639 G CA -0.352 44.785 45.100 0.062 0.000 0.878 639 G HN 0.721 nan 8.290 nan 0.000 0.583 640 G N 0.687 109.531 108.800 0.072 0.000 2.516 640 G HA2 -0.028 3.933 3.960 0.001 0.000 0.221 640 G HA3 -0.028 3.933 3.960 0.001 0.000 0.221 640 G C 1.308 176.258 174.900 0.083 0.000 1.107 640 G CA 1.802 46.952 45.100 0.084 0.000 0.747 640 G HN 0.946 nan 8.290 nan 0.000 0.567 641 E N 1.127 121.365 120.200 0.064 0.000 2.072 641 E HA -0.046 4.305 4.350 0.001 0.000 0.190 641 E C 1.462 178.092 176.600 0.051 0.000 0.982 641 E CA 0.852 57.286 56.400 0.055 0.000 0.803 641 E CB -0.186 29.538 29.700 0.039 0.000 0.755 641 E HN 0.231 nan 8.360 nan 0.000 0.453 642 N N 1.165 119.893 118.700 0.046 0.000 2.375 642 N HA 0.019 4.759 4.740 0.001 0.000 0.220 642 N C -0.653 174.883 175.510 0.043 0.000 1.170 642 N CA 0.191 53.259 53.050 0.031 0.000 0.833 642 N CB 0.153 38.653 38.487 0.022 0.000 1.069 642 N HN 0.140 nan 8.380 nan 0.000 0.479 643 S N -1.713 114.032 115.700 0.075 0.000 2.541 643 S HA 0.292 4.762 4.470 0.001 0.000 0.283 643 S C 1.577 176.199 174.600 0.037 0.000 1.196 643 S CA -0.810 57.453 58.200 0.104 0.000 1.062 643 S CB 1.911 65.233 63.200 0.204 0.000 1.009 643 S HN -0.116 nan 8.310 nan 0.000 0.502 644 V N 2.297 122.159 119.914 -0.087 0.000 2.277 644 V HA -0.262 3.858 4.120 0.001 0.000 0.253 644 V C 1.892 177.849 176.094 -0.228 0.000 1.067 644 V CA 2.403 64.546 62.300 -0.261 0.000 1.047 644 V CB -1.258 30.244 31.823 -0.533 0.000 0.649 644 V HN 0.927 nan 8.190 nan 0.000 0.447 645 F N -0.461 119.528 119.950 0.063 0.000 2.407 645 F HA -0.057 4.471 4.527 0.001 0.000 0.299 645 F C 2.350 178.195 175.800 0.075 0.000 1.097 645 F CA 1.233 59.277 58.000 0.073 0.000 1.422 645 F CB -0.239 38.801 39.000 0.066 0.000 1.067 645 F HN 0.149 nan 8.300 nan 0.000 0.539 646 E N -0.031 120.293 120.200 0.207 0.000 2.140 646 E HA -0.039 4.312 4.350 0.001 0.000 0.191 646 E C 2.188 178.851 176.600 0.105 0.000 0.973 646 E CA 0.182 56.669 56.400 0.143 0.000 0.829 646 E CB -0.349 29.421 29.700 0.117 0.000 0.781 646 E HN 0.071 nan 8.360 nan 0.000 0.466 647 L N 0.730 121.995 121.223 0.069 0.000 2.013 647 L HA -0.155 4.186 4.340 0.001 0.000 0.212 647 L C 2.042 178.970 176.870 0.098 0.000 1.073 647 L CA 2.299 57.169 54.840 0.051 0.000 0.753 647 L CB -1.348 40.713 42.059 0.004 0.000 0.890 647 L HN 0.174 nan 8.230 nan 0.000 0.432 648 A N -0.487 122.393 122.820 0.101 0.000 1.940 648 A HA -0.254 4.067 4.320 0.001 0.000 0.219 648 A C 2.292 179.995 177.584 0.198 0.000 1.176 648 A CA 1.857 53.988 52.037 0.156 0.000 0.631 648 A CB -0.375 18.715 19.000 0.150 0.000 0.814 648 A HN 0.492 nan 8.150 nan 0.000 0.446 649 K N -0.515 119.989 120.400 0.174 0.000 1.973 649 K HA -0.170 4.151 4.320 0.001 0.000 0.212 649 K C 2.306 179.000 176.600 0.157 0.000 1.047 649 K CA 1.733 58.120 56.287 0.166 0.000 0.937 649 K CB -0.287 32.296 32.500 0.138 0.000 0.721 649 K HN 0.449 nan 8.250 nan 0.000 0.440 650 R N 0.732 121.316 120.500 0.140 0.000 2.096 650 R HA -0.157 4.184 4.340 0.001 0.000 0.240 650 R C 2.496 178.887 176.300 0.152 0.000 1.139 650 R CA 1.352 57.539 56.100 0.145 0.000 0.952 650 R CB -0.684 29.703 30.300 0.145 0.000 0.854 650 R HN 0.230 nan 8.270 nan 0.000 0.436 651 A N 1.598 124.526 122.820 0.181 0.000 1.869 651 A HA -0.281 4.040 4.320 0.001 0.000 0.218 651 A C 2.154 179.808 177.584 0.116 0.000 1.203 651 A CA 1.666 53.771 52.037 0.114 0.000 0.638 651 A CB -0.691 18.551 19.000 0.404 0.000 0.831 651 A HN 0.370 nan 8.150 nan 0.000 0.450 652 Q N -1.387 118.606 119.800 0.323 0.000 2.226 652 Q HA -0.150 4.190 4.340 0.001 0.000 0.204 652 Q C 2.243 178.435 176.000 0.322 0.000 0.975 652 Q CA 1.295 57.330 55.803 0.387 0.000 0.866 652 Q CB -0.228 28.740 28.738 0.383 0.000 0.915 652 Q HN 0.737 nan 8.270 nan 0.000 0.440 653 M N -0.819 118.895 119.600 0.191 0.000 2.091 653 M HA -0.245 4.235 4.480 0.001 0.000 0.259 653 M C 2.173 178.529 176.300 0.092 0.000 1.076 653 M CA 1.971 57.344 55.300 0.123 0.000 1.111 653 M CB -0.771 31.866 32.600 0.063 0.000 1.291 653 M HN 0.319 nan 8.290 nan 0.000 0.417 654 H N -0.219 118.736 119.070 -0.192 0.000 2.319 654 H HA -0.194 4.363 4.556 0.001 0.000 0.297 654 H C 1.632 176.873 175.328 -0.146 0.000 1.097 654 H CA 2.266 58.077 56.048 -0.395 0.000 1.285 654 H CB -0.223 28.849 29.762 -1.150 0.000 1.368 654 H HN 0.334 nan 8.280 nan 0.000 0.495 655 F N -1.186 118.928 119.950 0.273 0.000 2.699 655 F HA -0.058 4.470 4.527 0.001 0.000 0.298 655 F C 1.787 177.755 175.800 0.280 0.000 1.154 655 F CA -0.083 58.120 58.000 0.338 0.000 1.457 655 F CB -0.105 38.930 39.000 0.059 0.000 1.106 655 F HN 0.214 nan 8.300 nan 0.000 0.585 656 F N 1.007 121.092 119.950 0.225 0.000 2.325 656 F HA -0.202 4.326 4.527 0.001 0.000 0.299 656 F C 2.510 178.358 175.800 0.081 0.000 1.090 656 F CA 0.948 59.021 58.000 0.122 0.000 1.392 656 F CB -0.239 38.805 39.000 0.073 0.000 1.053 656 F HN -0.028 nan 8.300 nan 0.000 0.521 657 S N 0.691 116.535 115.700 0.240 0.000 2.436 657 S HA -0.247 4.223 4.470 0.001 0.000 0.215 657 S C 0.733 175.346 174.600 0.022 0.000 1.047 657 S CA 0.260 58.478 58.200 0.031 0.000 1.086 657 S CB -1.617 61.424 63.200 -0.266 0.000 1.072 657 S HN 0.156 nan 8.310 nan 0.000 0.411 658 F N 3.189 123.109 119.950 -0.049 0.000 1.924 658 F HA -0.118 4.410 4.527 0.001 0.000 0.439 658 F C 1.380 177.126 175.800 -0.089 0.000 0.898 658 F CA 0.699 58.665 58.000 -0.057 0.000 0.931 658 F CB -0.398 38.575 39.000 -0.044 0.000 0.722 658 F HN 0.350 nan 8.300 nan 0.000 0.486 659 K N 1.604 122.032 120.400 0.045 0.000 2.446 659 K HA -0.013 4.308 4.320 0.001 0.000 0.203 659 K C 0.714 177.320 176.600 0.010 0.000 1.027 659 K CA 0.134 56.423 56.287 0.004 0.000 1.166 659 K CB 0.153 32.645 32.500 -0.013 0.000 0.869 659 K HN 0.606 nan 8.250 nan 0.000 0.504 660 D N 0.123 120.551 120.400 0.047 0.000 2.845 660 D HA 0.146 4.787 4.640 0.001 0.000 0.272 660 D C 0.659 176.955 176.300 -0.007 0.000 1.275 660 D CA 0.609 54.624 54.000 0.026 0.000 1.029 660 D CB 0.182 41.014 40.800 0.053 0.000 1.131 660 D HN 0.208 nan 8.370 nan 0.000 0.423 661 A N 0.094 122.904 122.820 -0.016 0.000 2.599 661 A HA 0.587 4.908 4.320 0.001 0.000 0.257 661 A C -0.021 177.469 177.584 -0.157 0.000 1.641 661 A CA -0.184 51.794 52.037 -0.100 0.000 0.842 661 A CB 0.249 19.150 19.000 -0.164 0.000 1.599 661 A HN 0.320 nan 8.150 nan 0.000 0.585 662 M N 0.516 119.963 119.600 -0.255 0.000 2.297 662 M HA 0.326 4.807 4.480 0.001 0.000 0.241 662 M C -1.743 174.186 176.300 -0.619 0.000 1.106 662 M CA -0.177 54.882 55.300 -0.402 0.000 0.809 662 M CB 0.753 33.176 32.600 -0.294 0.000 2.236 662 M HN 0.336 nan 8.290 nan 0.000 0.362 663 V N 3.524 123.070 119.914 -0.613 0.000 2.614 663 V HA 0.420 4.541 4.120 0.001 0.000 0.291 663 V C -0.488 175.218 176.094 -0.646 0.000 1.049 663 V CA 0.501 62.440 62.300 -0.603 0.000 1.038 663 V CB 1.071 32.467 31.823 -0.713 0.000 0.980 663 V HN 0.589 nan 8.190 nan 0.000 0.481 664 F N 2.095 122.014 119.950 -0.051 0.000 2.565 664 F HA 0.766 5.294 4.527 0.001 0.000 0.313 664 F C 0.236 176.157 175.800 0.202 0.000 1.091 664 F CA -0.680 57.394 58.000 0.124 0.000 0.915 664 F CB 2.038 41.140 39.000 0.170 0.000 1.208 664 F HN 0.560 nan 8.300 nan 0.000 0.453 665 A N 3.274 126.397 122.820 0.505 0.000 2.365 665 A HA 0.961 5.281 4.320 0.001 0.000 0.318 665 A C -1.450 176.419 177.584 0.476 0.000 1.091 665 A CA -0.534 51.720 52.037 0.362 0.000 0.763 665 A CB 1.150 20.351 19.000 0.335 0.000 1.248 665 A HN 0.818 nan 8.150 nan 0.000 0.442 666 F N -1.256 118.821 119.950 0.211 0.000 2.842 666 F HA 0.764 5.292 4.527 0.001 0.000 0.319 666 F C -0.406 175.434 175.800 0.065 0.000 1.159 666 F CA -0.768 57.327 58.000 0.159 0.000 0.902 666 F CB 0.807 39.912 39.000 0.175 0.000 1.311 666 F HN 0.889 nan 8.300 nan 0.000 0.453 667 A N 1.509 124.429 122.820 0.166 0.000 2.312 667 A HA 0.901 5.221 4.320 0.001 0.000 0.328 667 A C -2.758 174.853 177.584 0.046 0.000 1.158 667 A CA -1.972 50.003 52.037 -0.102 0.000 0.821 667 A CB 0.245 19.111 19.000 -0.223 0.000 1.170 667 A HN 0.580 nan 8.150 nan 0.000 0.490 668 P HA 0.205 nan 4.420 nan 0.000 0.271 668 P C -2.376 175.005 177.300 0.136 0.000 1.233 668 P CA -0.481 62.586 63.100 -0.055 0.000 0.795 668 P CB -0.449 31.136 31.700 -0.191 0.000 0.936 669 P HA 0.026 nan 4.420 nan 0.000 0.273 669 P C 0.987 178.391 177.300 0.173 0.000 1.250 669 P CA -0.023 63.176 63.100 0.166 0.000 0.793 669 P CB 0.268 32.049 31.700 0.135 0.000 1.011 670 S N 0.202 116.008 115.700 0.177 0.000 2.354 670 S HA -0.089 4.381 4.470 0.001 0.000 0.219 670 S C 0.827 175.530 174.600 0.172 0.000 1.035 670 S CA 1.050 59.354 58.200 0.173 0.000 1.037 670 S CB -0.334 62.951 63.200 0.142 0.000 0.956 670 S HN 0.348 nan 8.310 nan 0.000 0.428 671 V N 2.682 122.653 119.914 0.096 0.000 2.407 671 V HA 0.477 4.597 4.120 0.001 0.000 0.278 671 V C -0.110 176.037 176.094 0.089 0.000 1.037 671 V CA -0.657 61.639 62.300 -0.008 0.000 0.900 671 V CB 1.294 32.942 31.823 -0.291 0.000 0.983 671 V HN 0.476 nan 8.190 nan 0.000 0.459 672 L N 7.835 129.162 121.223 0.174 0.000 2.650 672 L HA 0.402 4.742 4.340 0.001 0.000 0.239 672 L C 0.230 177.169 176.870 0.115 0.000 1.412 672 L CA 0.595 55.544 54.840 0.180 0.000 1.219 672 L CB -0.798 41.413 42.059 0.253 0.000 1.534 672 L HN 0.798 nan 8.230 nan 0.000 0.430 673 E N 2.140 122.382 120.200 0.070 0.000 2.409 673 E HA 0.183 4.533 4.350 0.001 0.000 0.259 673 E C -0.103 176.513 176.600 0.027 0.000 0.932 673 E CA -0.825 55.599 56.400 0.039 0.000 0.809 673 E CB 0.716 30.430 29.700 0.023 0.000 1.341 673 E HN 0.184 nan 8.360 nan 0.000 0.405 674 L N 2.006 123.237 121.223 0.014 0.000 4.035 674 L HA -0.241 4.100 4.340 0.001 0.000 0.490 674 L C 0.491 177.356 176.870 -0.009 0.000 1.163 674 L CA 1.053 55.890 54.840 -0.005 0.000 0.680 674 L CB -1.012 41.054 42.059 0.012 0.000 1.409 674 L HN 0.798 nan 8.230 nan 0.000 0.786 675 G N 0.377 109.181 108.800 0.006 0.000 2.571 675 G HA2 0.374 4.335 3.960 0.001 0.000 0.327 675 G HA3 0.374 4.335 3.960 0.001 0.000 0.327 675 G C 0.632 175.523 174.900 -0.015 0.000 1.008 675 G CA -0.453 44.651 45.100 0.006 0.000 1.136 675 G HN 0.366 nan 8.290 nan 0.000 0.444 676 N N 1.561 120.218 118.700 -0.072 0.000 2.336 676 N HA 0.240 4.980 4.740 0.001 0.000 0.189 676 N C 2.079 177.537 175.510 -0.086 0.000 1.113 676 N CA 0.744 53.742 53.050 -0.087 0.000 0.858 676 N CB 0.448 38.864 38.487 -0.119 0.000 0.970 676 N HN 0.703 nan 8.380 nan 0.000 0.471 677 A N 0.072 122.823 122.820 -0.116 0.000 5.159 677 A HA -0.349 3.972 4.320 0.001 0.000 0.362 677 A C 1.217 178.719 177.584 -0.136 0.000 1.583 677 A CA 2.247 54.206 52.037 -0.129 0.000 0.689 677 A CB -1.918 17.161 19.000 0.132 0.000 1.532 677 A HN 0.369 nan 8.150 nan 0.000 0.417 678 T N 0.811 115.359 114.554 -0.011 0.000 3.162 678 T HA 0.522 4.873 4.350 0.001 0.000 0.316 678 T C -0.046 174.643 174.700 -0.020 0.000 1.182 678 T CA 1.071 63.167 62.100 -0.006 0.000 1.015 678 T CB -1.032 67.857 68.868 0.035 0.000 1.089 678 T HN 2.206 nan 8.240 nan 0.000 0.646 679 G N 4.931 113.706 108.800 -0.041 0.000 2.378 679 G HA2 0.411 4.372 3.960 0.001 0.000 0.306 679 G HA3 0.411 4.372 3.960 0.001 0.000 0.306 679 G C -0.771 174.087 174.900 -0.071 0.000 1.413 679 G CA -0.952 44.106 45.100 -0.071 0.000 1.123 679 G HN 0.644 nan 8.290 nan 0.000 0.587 680 F N 2.091 122.016 119.950 -0.041 0.000 2.399 680 F HA 0.830 5.358 4.527 0.001 0.000 0.313 680 F C 0.059 175.876 175.800 0.028 0.000 1.202 680 F CA -0.567 57.428 58.000 -0.007 0.000 1.192 680 F CB 1.124 40.145 39.000 0.034 0.000 1.256 680 F HN 0.527 nan 8.300 nan 0.000 0.558 681 D N 0.808 121.381 120.400 0.289 0.000 2.599 681 D HA 0.592 5.233 4.640 0.001 0.000 0.252 681 D C -2.236 174.247 176.300 0.304 0.000 1.232 681 D CA -0.453 53.604 54.000 0.096 0.000 0.819 681 D CB 1.893 42.617 40.800 -0.126 0.000 1.401 681 D HN 0.805 nan 8.370 nan 0.000 0.429 682 L N -0.205 120.988 121.223 -0.050 0.000 2.710 682 L HA 0.688 5.028 4.340 0.001 0.000 0.260 682 L C -2.076 174.500 176.870 -0.489 0.000 0.993 682 L CA -0.568 54.180 54.840 -0.153 0.000 0.877 682 L CB 2.005 43.976 42.059 -0.147 0.000 1.461 682 L HN 0.541 nan 8.230 nan 0.000 0.413 683 F N 3.687 123.409 119.950 -0.380 0.000 2.460 683 F HA 0.545 5.073 4.527 0.001 0.000 0.341 683 F C -0.280 175.361 175.800 -0.264 0.000 1.130 683 F CA -0.508 57.254 58.000 -0.398 0.000 0.962 683 F CB 1.676 40.269 39.000 -0.678 0.000 1.171 683 F HN 0.197 nan 8.300 nan 0.000 0.436 684 L N 4.732 125.903 121.223 -0.086 0.000 2.371 684 L HA 0.430 4.770 4.340 0.001 0.000 0.272 684 L C -0.519 176.366 176.870 0.025 0.000 1.124 684 L CA -0.263 54.540 54.840 -0.062 0.000 0.816 684 L CB 1.398 43.367 42.059 -0.151 0.000 1.129 684 L HN 0.666 nan 8.230 nan 0.000 0.448 685 Q N 1.775 121.591 119.800 0.027 0.000 2.426 685 Q HA 0.283 4.623 4.340 0.001 0.000 0.278 685 Q C -1.814 174.196 176.000 0.017 0.000 1.007 685 Q CA -1.018 54.805 55.803 0.034 0.000 0.850 685 Q CB 2.288 31.058 28.738 0.053 0.000 1.427 685 Q HN 0.578 nan 8.270 nan 0.000 0.391 686 D N 2.139 122.547 120.400 0.013 0.000 2.499 686 D HA 0.065 4.706 4.640 0.001 0.000 0.225 686 D C 0.389 176.693 176.300 0.007 0.000 1.124 686 D CA -0.461 53.545 54.000 0.009 0.000 0.938 686 D CB 1.435 42.240 40.800 0.008 0.000 1.014 686 D HN 0.438 nan 8.370 nan 0.000 0.517 687 Q N 1.855 121.657 119.800 0.003 0.000 2.197 687 Q HA -0.081 4.260 4.340 0.001 0.000 0.207 687 Q C 1.389 177.390 176.000 0.001 0.000 0.984 687 Q CA 1.632 57.434 55.803 -0.002 0.000 0.869 687 Q CB -0.304 28.430 28.738 -0.007 0.000 0.906 687 Q HN 0.704 nan 8.270 nan 0.000 0.426 688 A N -0.764 122.059 122.820 0.005 0.000 2.640 688 A HA 0.478 4.798 4.320 0.001 0.000 0.282 688 A C 1.038 178.628 177.584 0.010 0.000 1.357 688 A CA 0.324 52.365 52.037 0.007 0.000 0.946 688 A CB -0.924 18.081 19.000 0.008 0.000 1.065 688 A HN 0.300 nan 8.150 nan 0.000 0.541 689 G N -0.310 108.496 108.800 0.011 0.000 2.449 689 G HA2 -0.183 3.778 3.960 0.001 0.000 0.304 689 G HA3 -0.183 3.778 3.960 0.001 0.000 0.304 689 G C 0.495 175.407 174.900 0.020 0.000 0.962 689 G CA 0.726 45.836 45.100 0.016 0.000 0.943 689 G HN 1.129 nan 8.290 nan 0.000 0.514 690 V N 0.149 120.075 119.914 0.020 0.000 3.133 690 V HA 0.668 4.789 4.120 0.001 0.000 0.305 690 V C 1.675 177.789 176.094 0.034 0.000 1.084 690 V CA 0.479 62.793 62.300 0.022 0.000 1.089 690 V CB 0.848 32.681 31.823 0.016 0.000 1.073 690 V HN 1.161 nan 8.190 nan 0.000 0.477 691 G N 1.902 110.725 108.800 0.040 0.000 2.852 691 G HA2 -0.205 3.756 3.960 0.001 0.000 0.228 691 G HA3 -0.205 3.756 3.960 0.001 0.000 0.228 691 G C 0.528 175.479 174.900 0.085 0.000 1.227 691 G CA 1.021 46.159 45.100 0.064 0.000 0.854 691 G HN 1.263 nan 8.290 nan 0.000 0.573 692 H N -0.927 118.154 119.070 0.017 0.000 2.448 692 H HA 0.094 4.651 4.556 0.001 0.000 0.292 692 H C 2.156 177.493 175.328 0.016 0.000 1.035 692 H CA 1.437 57.496 56.048 0.019 0.000 1.349 692 H CB 0.276 30.051 29.762 0.023 0.000 1.425 692 H HN 0.611 nan 8.280 nan 0.000 0.539 693 E N -0.014 120.290 120.200 0.173 0.000 2.427 693 E HA -0.039 4.312 4.350 0.001 0.000 0.196 693 E C 1.832 178.433 176.600 0.002 0.000 1.028 693 E CA 0.536 56.993 56.400 0.095 0.000 0.864 693 E CB 0.506 30.287 29.700 0.136 0.000 0.813 693 E HN 0.346 nan 8.360 nan 0.000 0.514 694 V N 1.063 120.977 119.914 -0.001 0.000 2.488 694 V HA -0.187 3.933 4.120 0.001 0.000 0.246 694 V C 2.188 178.255 176.094 -0.045 0.000 1.046 694 V CA 1.001 63.294 62.300 -0.012 0.000 1.053 694 V CB -0.264 31.561 31.823 0.005 0.000 0.679 694 V HN 0.336 nan 8.190 nan 0.000 0.458 695 L N -0.573 120.595 121.223 -0.093 0.000 1.989 695 L HA -0.215 4.125 4.340 0.001 0.000 0.211 695 L C 2.492 179.282 176.870 -0.134 0.000 1.071 695 L CA 1.894 56.658 54.840 -0.127 0.000 0.749 695 L CB -0.395 41.543 42.059 -0.202 0.000 0.890 695 L HN 0.307 nan 8.230 nan 0.000 0.431 696 L N -0.651 120.461 121.223 -0.187 0.000 2.051 696 L HA -0.341 3.999 4.340 0.001 0.000 0.214 696 L C 2.755 179.588 176.870 -0.061 0.000 1.076 696 L CA 1.556 56.321 54.840 -0.125 0.000 0.758 696 L CB -0.437 41.560 42.059 -0.103 0.000 0.890 696 L HN 0.408 nan 8.230 nan 0.000 0.433 697 Q N -0.812 118.963 119.800 -0.043 0.000 2.002 697 Q HA -0.271 4.069 4.340 0.001 0.000 0.204 697 Q C 2.401 178.399 176.000 -0.004 0.000 0.988 697 Q CA 1.851 57.644 55.803 -0.017 0.000 0.843 697 Q CB -0.379 28.354 28.738 -0.008 0.000 0.908 697 Q HN 0.611 nan 8.270 nan 0.000 0.420 698 A N 1.585 124.400 122.820 -0.009 0.000 1.892 698 A HA -0.275 4.045 4.320 0.001 0.000 0.218 698 A C 2.095 179.701 177.584 0.037 0.000 1.188 698 A CA 1.848 53.893 52.037 0.014 0.000 0.631 698 A CB -0.737 18.262 19.000 -0.001 0.000 0.822 698 A HN 0.289 nan 8.150 nan 0.000 0.447 699 R N -0.375 120.118 120.500 -0.012 0.000 2.073 699 R HA -0.170 4.170 4.340 0.001 0.000 0.234 699 R C 1.542 177.879 176.300 0.061 0.000 1.134 699 R CA 1.946 58.036 56.100 -0.017 0.000 0.952 699 R CB -0.489 29.765 30.300 -0.076 0.000 0.850 699 R HN 0.520 nan 8.270 nan 0.000 0.433 700 N N 0.945 119.662 118.700 0.029 0.000 2.309 700 N HA -0.095 4.646 4.740 0.001 0.000 0.182 700 N C 1.480 177.019 175.510 0.050 0.000 1.018 700 N CA 1.104 54.174 53.050 0.033 0.000 0.876 700 N CB -0.063 38.426 38.487 0.003 0.000 0.972 700 N HN 0.332 nan 8.380 nan 0.000 0.434 701 K N -0.335 120.097 120.400 0.054 0.000 2.155 701 K HA -0.046 4.275 4.320 0.001 0.000 0.203 701 K C 1.716 178.348 176.600 0.053 0.000 1.052 701 K CA 0.482 56.792 56.287 0.038 0.000 0.948 701 K CB -0.147 32.369 32.500 0.028 0.000 0.728 701 K HN 0.101 nan 8.250 nan 0.000 0.448 702 F N 2.033 121.959 119.950 -0.041 0.000 2.014 702 F HA -0.213 4.314 4.527 0.001 0.000 0.295 702 F C 1.915 177.696 175.800 -0.032 0.000 1.145 702 F CA 1.432 59.405 58.000 -0.046 0.000 1.178 702 F CB -0.261 38.705 39.000 -0.057 0.000 0.972 702 F HN -0.154 nan 8.300 nan 0.000 0.476 703 L N -0.171 121.241 121.223 0.314 0.000 2.013 703 L HA -0.268 4.073 4.340 0.001 0.000 0.212 703 L C 1.859 178.753 176.870 0.039 0.000 1.073 703 L CA 1.098 56.044 54.840 0.176 0.000 0.753 703 L CB -0.811 41.328 42.059 0.134 0.000 0.890 703 L HN 0.250 nan 8.230 nan 0.000 0.432 704 M N -0.015 119.599 119.600 0.024 0.000 3.168 704 M HA 0.054 4.535 4.480 0.001 0.000 0.202 704 M C 0.927 177.203 176.300 -0.041 0.000 1.310 704 M CA 0.945 56.242 55.300 -0.006 0.000 1.302 704 M CB -0.301 32.300 32.600 0.001 0.000 1.484 704 M HN 0.349 nan 8.290 nan 0.000 0.434 705 L N -1.778 119.394 121.223 -0.086 0.000 4.117 705 L HA 0.218 4.559 4.340 0.001 0.000 0.403 705 L C 1.700 178.461 176.870 -0.182 0.000 1.051 705 L CA 0.280 55.039 54.840 -0.135 0.000 1.521 705 L CB 0.020 41.974 42.059 -0.176 0.000 1.894 705 L HN 0.226 nan 8.230 nan 0.000 0.632 706 A N 0.071 122.774 122.820 -0.195 0.000 2.016 706 A HA 0.195 4.516 4.320 0.001 0.000 0.217 706 A C 2.150 179.697 177.584 -0.061 0.000 1.162 706 A CA 1.310 53.251 52.037 -0.160 0.000 0.662 706 A CB -0.290 18.649 19.000 -0.102 0.000 0.812 706 A HN 0.422 nan 8.150 nan 0.000 0.450 707 A N -0.354 122.443 122.820 -0.038 0.000 1.897 707 A HA -0.101 4.220 4.320 0.001 0.000 0.215 707 A C 1.722 179.291 177.584 -0.025 0.000 1.181 707 A CA 1.250 53.278 52.037 -0.015 0.000 0.620 707 A CB -0.354 18.644 19.000 -0.004 0.000 0.821 707 A HN 0.455 nan 8.150 nan 0.000 0.443 708 Q N 0.725 120.501 119.800 -0.041 0.000 2.452 708 Q HA 0.058 4.398 4.340 0.001 0.000 0.214 708 Q C -0.285 175.686 176.000 -0.048 0.000 0.966 708 Q CA 0.191 55.970 55.803 -0.040 0.000 0.964 708 Q CB -0.732 27.979 28.738 -0.046 0.000 0.992 708 Q HN 0.567 nan 8.270 nan 0.000 0.517 709 N N 0.801 119.471 118.700 -0.050 0.000 2.284 709 N HA 0.225 4.966 4.740 0.001 0.000 0.300 709 N C -2.171 173.321 175.510 -0.029 0.000 1.047 709 N CA -1.838 51.180 53.050 -0.052 0.000 0.821 709 N CB 2.362 40.800 38.487 -0.082 0.000 1.337 709 N HN -0.252 nan 8.380 nan 0.000 0.482 710 P HA 0.103 nan 4.420 nan 0.000 0.217 710 P C 0.843 178.138 177.300 -0.008 0.000 1.154 710 P CA 0.838 63.931 63.100 -0.013 0.000 0.841 710 P CB 0.239 31.931 31.700 -0.014 0.000 0.788 711 A N -1.311 121.499 122.820 -0.016 0.000 2.019 711 A HA -0.022 4.299 4.320 0.001 0.000 0.219 711 A C 0.858 178.449 177.584 0.012 0.000 1.164 711 A CA 1.192 53.222 52.037 -0.011 0.000 0.644 711 A CB -1.093 17.890 19.000 -0.029 0.000 0.805 711 A HN 0.142 nan 8.150 nan 0.000 0.449 712 L N -1.256 119.981 121.223 0.023 0.000 2.354 712 L HA 0.567 4.907 4.340 0.001 0.000 0.269 712 L C -0.277 176.633 176.870 0.067 0.000 1.005 712 L CA -0.194 54.692 54.840 0.077 0.000 0.819 712 L CB 1.913 44.045 42.059 0.123 0.000 1.311 712 L HN 0.202 nan 8.230 nan 0.000 0.423 713 Q N 1.676 121.524 119.800 0.080 0.000 2.309 713 Q HA 0.509 4.849 4.340 0.001 0.000 0.273 713 Q C -0.762 175.259 176.000 0.034 0.000 1.040 713 Q CA -0.917 54.916 55.803 0.049 0.000 0.834 713 Q CB 2.707 31.466 28.738 0.035 0.000 1.345 713 Q HN 0.577 nan 8.270 nan 0.000 0.414 714 R N 0.629 121.138 120.500 0.016 0.000 3.493 714 R HA -0.111 4.229 4.340 0.001 0.000 0.297 714 R C -1.363 174.909 176.300 -0.048 0.000 1.145 714 R CA -0.042 56.043 56.100 -0.026 0.000 0.792 714 R CB -1.554 28.715 30.300 -0.052 0.000 1.368 714 R HN 0.405 nan 8.270 nan 0.000 0.454 715 V N 2.660 122.581 119.914 0.012 0.000 2.341 715 V HA 0.154 4.274 4.120 0.001 0.000 0.248 715 V C 1.175 177.265 176.094 -0.007 0.000 1.107 715 V CA 0.671 62.993 62.300 0.036 0.000 1.069 715 V CB 0.383 32.316 31.823 0.183 0.000 1.177 715 V HN 0.192 nan 8.190 nan 0.000 0.492 716 R N 5.299 125.744 120.500 -0.092 0.000 2.674 716 R HA 0.533 4.874 4.340 0.001 0.000 0.266 716 R C -2.626 173.601 176.300 -0.122 0.000 1.016 716 R CA -1.906 54.133 56.100 -0.102 0.000 1.062 716 R CB 1.709 31.917 30.300 -0.154 0.000 1.142 716 R HN 0.330 nan 8.270 nan 0.000 0.517 717 P HA 0.192 nan 4.420 nan 0.000 0.300 717 P C -1.282 175.935 177.300 -0.138 0.000 1.326 717 P CA -0.713 62.307 63.100 -0.133 0.000 0.844 717 P CB 0.864 32.509 31.700 -0.092 0.000 0.992 718 N N 2.146 120.738 118.700 -0.180 0.000 2.514 718 N HA 0.526 5.267 4.740 0.001 0.000 0.277 718 N C 0.005 175.456 175.510 -0.098 0.000 1.126 718 N CA 0.869 53.830 53.050 -0.148 0.000 0.978 718 N CB 0.133 38.503 38.487 -0.195 0.000 1.106 718 N HN 0.709 nan 8.380 nan 0.000 0.461 719 G N 1.873 110.645 108.800 -0.046 0.000 2.788 719 G HA2 -0.153 3.808 3.960 0.001 0.000 0.686 719 G HA3 -0.153 3.808 3.960 0.001 0.000 0.686 719 G C -0.324 174.577 174.900 0.002 0.000 1.147 719 G CA -0.626 44.469 45.100 -0.007 0.000 0.755 719 G HN 0.577 nan 8.290 nan 0.000 0.634 720 M N 1.278 120.892 119.600 0.024 0.000 2.198 720 M HA 0.487 4.967 4.480 0.001 0.000 0.315 720 M C 1.283 177.608 176.300 0.041 0.000 1.134 720 M CA 0.192 55.511 55.300 0.031 0.000 1.171 720 M CB 0.839 33.464 32.600 0.042 0.000 1.413 720 M HN 0.948 nan 8.290 nan 0.000 0.467 721 S N -0.875 114.851 115.700 0.043 0.000 2.745 721 S HA 0.441 4.911 4.470 0.001 0.000 0.292 721 S C -0.926 173.722 174.600 0.080 0.000 1.133 721 S CA -1.279 56.949 58.200 0.047 0.000 0.998 721 S CB 0.765 63.977 63.200 0.020 0.000 1.087 721 S HN 0.556 nan 8.310 nan 0.000 0.551 722 D N 1.448 121.897 120.400 0.082 0.000 2.488 722 D HA 0.251 4.891 4.640 0.001 0.000 0.238 722 D C 0.039 176.500 176.300 0.268 0.000 1.138 722 D CA 0.667 54.758 54.000 0.151 0.000 0.873 722 D CB 0.213 41.067 40.800 0.090 0.000 1.183 722 D HN 0.537 nan 8.370 nan 0.000 0.458 723 E N 1.696 122.097 120.200 0.335 0.000 2.281 723 E HA 0.431 4.781 4.350 0.001 0.000 0.262 723 E C -2.401 174.346 176.600 0.244 0.000 0.933 723 E CA -2.193 54.403 56.400 0.326 0.000 0.809 723 E CB 1.385 31.192 29.700 0.178 0.000 1.242 723 E HN 0.154 nan 8.360 nan 0.000 0.418 724 P HA 0.049 nan 4.420 nan 0.000 0.271 724 P C -1.287 176.106 177.300 0.156 0.000 1.220 724 P CA 0.120 63.092 63.100 -0.214 0.000 0.768 724 P CB 0.476 32.059 31.700 -0.195 0.000 0.848 725 Q N 1.591 121.472 119.800 0.134 0.000 2.342 725 Q HA 0.352 4.693 4.340 0.001 0.000 0.267 725 Q C -1.162 174.804 176.000 -0.057 0.000 1.038 725 Q CA -0.744 55.106 55.803 0.079 0.000 0.832 725 Q CB 1.765 30.516 28.738 0.021 0.000 1.323 725 Q HN 0.384 nan 8.270 nan 0.000 0.448 726 Y N 2.667 122.681 120.300 -0.477 0.000 2.595 726 Y HA 0.167 4.717 4.550 0.001 0.000 0.347 726 Y C -0.449 175.156 175.900 -0.490 0.000 1.025 726 Y CA -0.801 56.793 58.100 -0.842 0.000 1.295 726 Y CB 0.269 38.101 38.460 -1.048 0.000 1.147 726 Y HN 0.403 nan 8.280 nan 0.000 0.515 727 K N 7.096 127.182 120.400 -0.524 0.000 2.316 727 K HA 0.257 4.577 4.320 0.001 0.000 0.289 727 K C -0.489 175.727 176.600 -0.639 0.000 1.070 727 K CA -0.307 55.705 56.287 -0.459 0.000 0.928 727 K CB 0.297 32.648 32.500 -0.249 0.000 1.039 727 K HN 0.761 nan 8.250 nan 0.000 0.480 728 L N 3.133 123.998 121.223 -0.597 0.000 2.472 728 L HA 0.109 4.450 4.340 0.001 0.000 0.260 728 L C 0.237 176.945 176.870 -0.271 0.000 1.209 728 L CA 0.390 54.944 54.840 -0.477 0.000 0.817 728 L CB 0.600 42.432 42.059 -0.377 0.000 1.106 728 L HN 0.780 nan 8.230 nan 0.000 0.479 729 E N 2.276 122.373 120.200 -0.172 0.000 3.079 729 E HA 0.190 4.540 4.350 0.001 0.000 0.329 729 E C -0.685 175.883 176.600 -0.054 0.000 1.166 729 E CA -0.309 56.028 56.400 -0.106 0.000 0.876 729 E CB 0.506 30.150 29.700 -0.093 0.000 1.479 729 E HN 0.462 nan 8.360 nan 0.000 0.384 730 I N -0.718 119.815 120.570 -0.062 0.000 2.692 730 I HA 0.291 4.462 4.170 0.001 0.000 0.284 730 I C 0.103 176.173 176.117 -0.079 0.000 1.159 730 I CA -0.103 61.152 61.300 -0.074 0.000 1.423 730 I CB 0.701 38.576 38.000 -0.208 0.000 1.380 730 I HN 0.243 nan 8.210 nan 0.000 0.580 731 D N 5.349 125.726 120.400 -0.038 0.000 2.411 731 D HA 0.091 4.731 4.640 0.001 0.000 0.225 731 D C 0.473 176.736 176.300 -0.062 0.000 1.156 731 D CA -0.227 53.758 54.000 -0.024 0.000 0.874 731 D CB 1.050 41.868 40.800 0.030 0.000 1.034 731 D HN 0.525 nan 8.370 nan 0.000 0.502 732 D N 2.779 123.135 120.400 -0.073 0.000 2.271 732 D HA -0.156 4.485 4.640 0.001 0.000 0.207 732 D C 1.351 177.619 176.300 -0.054 0.000 0.983 732 D CA 1.108 55.059 54.000 -0.081 0.000 0.878 732 D CB 0.450 41.210 40.800 -0.066 0.000 0.920 732 D HN 0.630 nan 8.370 nan 0.000 0.479 733 E N 0.448 120.630 120.200 -0.030 0.000 2.022 733 E HA 0.002 4.353 4.350 0.001 0.000 0.190 733 E C 1.925 178.526 176.600 0.002 0.000 0.973 733 E CA 0.346 56.738 56.400 -0.013 0.000 0.816 733 E CB 0.014 29.711 29.700 -0.006 0.000 0.781 733 E HN 0.123 nan 8.360 nan 0.000 0.456 734 K N 1.066 121.480 120.400 0.022 0.000 2.160 734 K HA -0.178 4.142 4.320 0.001 0.000 0.206 734 K C 2.162 178.812 176.600 0.083 0.000 1.047 734 K CA 1.136 57.454 56.287 0.052 0.000 0.930 734 K CB -0.224 32.319 32.500 0.071 0.000 0.720 734 K HN 0.077 nan 8.250 nan 0.000 0.450 735 A N 1.693 124.546 122.820 0.055 0.000 1.877 735 A HA -0.201 4.119 4.320 0.001 0.000 0.216 735 A C 2.301 179.887 177.584 0.003 0.000 1.186 735 A CA 2.218 54.263 52.037 0.013 0.000 0.620 735 A CB -0.694 18.164 19.000 -0.237 0.000 0.822 735 A HN 0.417 nan 8.150 nan 0.000 0.443 736 S N 0.023 115.711 115.700 -0.020 0.000 2.406 736 S HA 0.141 4.611 4.470 0.001 0.000 0.228 736 S C 2.087 176.692 174.600 0.008 0.000 1.020 736 S CA 1.167 59.359 58.200 -0.013 0.000 0.965 736 S CB -0.655 62.532 63.200 -0.022 0.000 0.798 736 S HN 0.880 nan 8.310 nan 0.000 0.488 737 A N 2.739 125.569 122.820 0.016 0.000 1.859 737 A HA -0.006 4.315 4.320 0.001 0.000 0.217 737 A C 2.323 179.924 177.584 0.028 0.000 1.198 737 A CA 1.801 53.850 52.037 0.020 0.000 0.629 737 A CB -1.158 17.855 19.000 0.022 0.000 0.830 737 A HN 0.538 nan 8.150 nan 0.000 0.446 738 L N -1.843 119.408 121.223 0.045 0.000 2.131 738 L HA -0.008 4.333 4.340 0.001 0.000 0.210 738 L C 1.893 178.791 176.870 0.047 0.000 1.092 738 L CA 1.063 55.934 54.840 0.050 0.000 0.759 738 L CB -0.423 41.681 42.059 0.076 0.000 0.903 738 L HN 0.728 nan 8.230 nan 0.000 0.435 739 G N -1.108 107.717 108.800 0.041 0.000 2.159 739 G HA2 -0.184 3.776 3.960 0.001 0.000 0.170 739 G HA3 -0.184 3.776 3.960 0.001 0.000 0.170 739 G C -0.008 174.909 174.900 0.029 0.000 1.007 739 G CA -0.266 44.852 45.100 0.029 0.000 0.672 739 G HN 0.033 nan 8.290 nan 0.000 0.507 740 V N 2.495 122.430 119.914 0.035 0.000 2.498 740 V HA 0.581 4.701 4.120 0.001 0.000 0.279 740 V C 1.213 177.277 176.094 -0.051 0.000 1.048 740 V CA 0.253 62.560 62.300 0.013 0.000 0.967 740 V CB 1.459 33.309 31.823 0.046 0.000 0.988 740 V HN 0.911 nan 8.190 nan 0.000 0.473 741 S N 5.724 121.396 115.700 -0.046 0.000 2.601 741 S HA 0.384 4.854 4.470 0.001 0.000 0.271 741 S C 1.024 175.558 174.600 -0.110 0.000 1.305 741 S CA -0.698 57.465 58.200 -0.063 0.000 1.022 741 S CB 0.866 64.046 63.200 -0.033 0.000 0.940 741 S HN 0.512 nan 8.310 nan 0.000 0.525 742 L N 1.721 122.876 121.223 -0.114 0.000 2.083 742 L HA -0.080 4.261 4.340 0.001 0.000 0.209 742 L C 3.065 179.876 176.870 -0.098 0.000 1.083 742 L CA 1.456 56.213 54.840 -0.139 0.000 0.752 742 L CB -1.435 40.555 42.059 -0.115 0.000 0.899 742 L HN 0.938 nan 8.230 nan 0.000 0.433 743 A N 0.304 123.087 122.820 -0.061 0.000 1.892 743 A HA -0.277 4.044 4.320 0.001 0.000 0.218 743 A C 2.010 179.579 177.584 -0.024 0.000 1.188 743 A CA 2.263 54.279 52.037 -0.035 0.000 0.631 743 A CB -0.615 18.372 19.000 -0.021 0.000 0.822 743 A HN 0.418 nan 8.150 nan 0.000 0.447 744 D N -0.782 119.604 120.400 -0.023 0.000 2.183 744 D HA -0.064 4.576 4.640 0.001 0.000 0.203 744 D C 1.847 178.153 176.300 0.010 0.000 0.969 744 D CA 1.050 55.055 54.000 0.008 0.000 0.842 744 D CB -0.106 40.708 40.800 0.023 0.000 0.957 744 D HN 0.545 nan 8.370 nan 0.000 0.484 745 I N 0.979 121.504 120.570 -0.075 0.000 2.286 745 I HA -0.217 3.954 4.170 0.001 0.000 0.245 745 I C 1.823 177.943 176.117 0.005 0.000 1.104 745 I CA 0.857 62.081 61.300 -0.128 0.000 1.397 745 I CB 0.159 37.890 38.000 -0.448 0.000 1.072 745 I HN -0.125 nan 8.210 nan 0.000 0.417 746 N N 0.383 119.065 118.700 -0.029 0.000 2.083 746 N HA -0.189 4.552 4.740 0.001 0.000 0.190 746 N C 1.941 177.470 175.510 0.031 0.000 1.047 746 N CA 1.635 54.685 53.050 0.000 0.000 0.845 746 N CB -0.705 37.765 38.487 -0.028 0.000 1.025 746 N HN 0.210 nan 8.380 nan 0.000 0.428 747 S N -0.153 115.562 115.700 0.024 0.000 2.441 747 S HA -0.161 4.309 4.470 0.001 0.000 0.242 747 S C 1.912 176.539 174.600 0.046 0.000 1.018 747 S CA 1.828 60.047 58.200 0.031 0.000 0.988 747 S CB -0.362 62.853 63.200 0.025 0.000 0.778 747 S HN 0.450 nan 8.310 nan 0.000 0.498 748 T N -0.476 114.129 114.554 0.084 0.000 2.939 748 T HA 0.117 4.467 4.350 0.001 0.000 0.254 748 T C 1.599 176.341 174.700 0.069 0.000 1.041 748 T CA 1.019 63.185 62.100 0.111 0.000 1.142 748 T CB -0.278 68.730 68.868 0.233 0.000 0.874 748 T HN 0.204 nan 8.240 nan 0.000 0.452 749 V N 1.069 121.072 119.914 0.148 0.000 2.759 749 V HA -0.066 4.055 4.120 0.001 0.000 0.256 749 V C 2.443 178.575 176.094 0.065 0.000 1.080 749 V CA 1.891 64.248 62.300 0.095 0.000 1.101 749 V CB -0.529 31.334 31.823 0.067 0.000 0.698 749 V HN 0.446 nan 8.190 nan 0.000 0.477 750 S N 0.398 116.117 115.700 0.032 0.000 2.374 750 S HA -0.083 4.387 4.470 0.001 0.000 0.207 750 S C 1.713 176.319 174.600 0.009 0.000 1.042 750 S CA 1.823 60.038 58.200 0.026 0.000 1.034 750 S CB -0.369 62.847 63.200 0.026 0.000 1.018 750 S HN 0.560 nan 8.310 nan 0.000 0.419 751 I N 2.039 122.597 120.570 -0.020 0.000 2.381 751 I HA -0.279 3.892 4.170 0.001 0.000 0.255 751 I C 2.491 178.512 176.117 -0.161 0.000 1.140 751 I CA 1.101 62.370 61.300 -0.051 0.000 1.404 751 I CB -0.607 37.369 38.000 -0.040 0.000 1.075 751 I HN 0.269 nan 8.210 nan 0.000 0.433 752 A N 0.520 123.141 122.820 -0.331 0.000 1.840 752 A HA -0.152 4.169 4.320 0.001 0.000 0.214 752 A C 1.869 179.106 177.584 -0.578 0.000 1.198 752 A CA 1.358 52.902 52.037 -0.822 0.000 0.608 752 A CB -0.776 17.273 19.000 -1.586 0.000 0.839 752 A HN 0.459 nan 8.150 nan 0.000 0.443 753 W N -0.245 120.853 121.300 -0.336 0.000 2.720 753 W HA 0.362 5.023 4.660 0.001 0.000 0.301 753 W C 1.711 178.193 176.519 -0.062 0.000 1.097 753 W CA 0.520 57.765 57.345 -0.168 0.000 1.573 753 W CB -1.139 28.213 29.460 -0.180 0.000 1.160 753 W HN 0.345 nan 8.180 nan 0.000 0.520 754 G N 0.995 109.911 108.800 0.194 0.000 2.527 754 G HA2 0.319 4.280 3.960 0.001 0.000 0.248 754 G HA3 0.319 4.280 3.960 0.001 0.000 0.248 754 G C 0.133 175.101 174.900 0.113 0.000 1.231 754 G CA -0.491 44.685 45.100 0.126 0.000 0.838 754 G HN -0.013 nan 8.290 nan 0.000 0.570 755 S N -0.756 115.035 115.700 0.152 0.000 2.641 755 S HA 0.388 4.859 4.470 0.001 0.000 0.251 755 S C 0.613 175.320 174.600 0.179 0.000 1.332 755 S CA 0.090 58.405 58.200 0.192 0.000 0.968 755 S CB 1.062 64.451 63.200 0.316 0.000 0.987 755 S HN 0.789 nan 8.310 nan 0.000 0.587 756 S N 0.304 116.114 115.700 0.184 0.000 2.750 756 S HA 0.295 4.766 4.470 0.001 0.000 0.276 756 S C -1.461 173.108 174.600 -0.052 0.000 1.165 756 S CA -0.642 57.613 58.200 0.091 0.000 1.047 756 S CB 0.303 63.521 63.200 0.029 0.000 1.056 756 S HN 0.561 nan 8.310 nan 0.000 0.481 757 Y N 6.035 126.121 120.300 -0.357 0.000 2.605 757 Y HA 0.320 4.870 4.550 0.001 0.000 0.336 757 Y C 0.504 176.205 175.900 -0.332 0.000 1.111 757 Y CA 0.282 57.960 58.100 -0.704 0.000 1.422 757 Y CB 0.143 38.299 38.460 -0.507 0.000 1.193 757 Y HN 0.465 nan 8.280 nan 0.000 0.526 758 V N 4.986 124.768 119.914 -0.221 0.000 2.784 758 V HA 0.149 4.269 4.120 0.001 0.000 0.231 758 V C 0.132 176.069 176.094 -0.262 0.000 1.128 758 V CA 0.604 62.775 62.300 -0.215 0.000 1.178 758 V CB -0.133 31.643 31.823 -0.077 0.000 0.943 758 V HN 0.654 nan 8.190 nan 0.000 0.500 759 N N -0.926 117.726 118.700 -0.080 0.000 2.647 759 N HA 0.368 5.108 4.740 0.001 0.000 0.266 759 N C -2.002 173.609 175.510 0.169 0.000 1.373 759 N CA -0.552 52.502 53.050 0.007 0.000 0.807 759 N CB 2.083 40.630 38.487 0.100 0.000 1.513 759 N HN 0.052 nan 8.380 nan 0.000 0.505 760 D N 0.563 121.059 120.400 0.159 0.000 2.233 760 D HA 0.331 4.972 4.640 0.001 0.000 0.240 760 D C -0.901 175.559 176.300 0.267 0.000 1.074 760 D CA -0.019 54.098 54.000 0.195 0.000 0.838 760 D CB 0.423 41.286 40.800 0.105 0.000 1.124 760 D HN 0.376 nan 8.370 nan 0.000 0.475 761 F N 1.830 121.892 119.950 0.187 0.000 2.556 761 F HA 0.687 5.214 4.527 0.001 0.000 0.327 761 F C -0.766 175.122 175.800 0.147 0.000 1.059 761 F CA -1.341 56.787 58.000 0.213 0.000 0.953 761 F CB 1.011 40.240 39.000 0.383 0.000 1.227 761 F HN 0.221 nan 8.300 nan 0.000 0.478 762 I N 2.139 122.750 120.570 0.069 0.000 2.436 762 I HA 0.606 4.776 4.170 0.001 0.000 0.289 762 I C -1.888 174.302 176.117 0.122 0.000 1.010 762 I CA -0.532 60.711 61.300 -0.096 0.000 1.098 762 I CB 1.866 39.861 38.000 -0.008 0.000 1.266 762 I HN 0.822 nan 8.210 nan 0.000 0.434 763 D N 5.293 125.713 120.400 0.035 0.000 2.756 763 D HA 0.399 5.039 4.640 0.001 0.000 0.226 763 D C -0.013 176.346 176.300 0.098 0.000 1.186 763 D CA -0.622 53.498 54.000 0.199 0.000 0.845 763 D CB 1.963 43.032 40.800 0.449 0.000 1.610 763 D HN 0.825 nan 8.370 nan 0.000 0.465 764 R N 0.701 121.260 120.500 0.099 0.000 3.946 764 R HA -0.237 4.104 4.340 0.001 0.000 0.329 764 R C 1.179 177.494 176.300 0.025 0.000 1.209 764 R CA 1.212 57.347 56.100 0.058 0.000 0.909 764 R CB -1.984 28.351 30.300 0.058 0.000 1.355 764 R HN 1.068 nan 8.270 nan 0.000 0.539 765 G N -0.200 108.615 108.800 0.024 0.000 2.527 765 G HA2 -0.372 3.588 3.960 0.001 0.000 0.218 765 G HA3 -0.372 3.588 3.960 0.001 0.000 0.218 765 G C 0.170 175.058 174.900 -0.020 0.000 1.177 765 G CA 0.267 45.370 45.100 0.004 0.000 0.695 765 G HN 0.347 nan 8.290 nan 0.000 0.517 766 R N 0.677 121.156 120.500 -0.035 0.000 2.543 766 R HA 0.479 4.820 4.340 0.001 0.000 0.277 766 R C 0.229 176.457 176.300 -0.120 0.000 1.074 766 R CA -0.293 55.770 56.100 -0.061 0.000 1.076 766 R CB 1.491 31.758 30.300 -0.056 0.000 0.993 766 R HN 0.136 nan 8.270 nan 0.000 0.459 767 V N 4.218 124.063 119.914 -0.115 0.000 2.521 767 V HA 0.038 4.158 4.120 0.001 0.000 0.286 767 V C 0.435 176.395 176.094 -0.223 0.000 1.034 767 V CA 0.504 62.701 62.300 -0.171 0.000 1.045 767 V CB 0.347 32.121 31.823 -0.082 0.000 0.974 767 V HN 0.674 nan 8.190 nan 0.000 0.480 768 K N 3.969 124.101 120.400 -0.447 0.000 2.350 768 K HA 0.686 5.006 4.320 0.001 0.000 0.241 768 K C -0.473 176.007 176.600 -0.200 0.000 0.994 768 K CA -1.161 54.925 56.287 -0.336 0.000 0.839 768 K CB 2.030 34.324 32.500 -0.342 0.000 1.244 768 K HN 0.387 nan 8.250 nan 0.000 0.443 769 R N -0.002 120.531 120.500 0.056 0.000 2.652 769 R HA 0.398 4.739 4.340 0.001 0.000 0.272 769 R C -0.639 175.892 176.300 0.385 0.000 1.162 769 R CA -0.294 55.932 56.100 0.210 0.000 1.199 769 R CB 0.512 30.854 30.300 0.070 0.000 1.166 769 R HN 0.266 nan 8.270 nan 0.000 0.597 770 V N 1.384 121.488 119.914 0.316 0.000 2.567 770 V HA 0.274 4.395 4.120 0.001 0.000 0.298 770 V C -1.605 174.521 176.094 0.053 0.000 1.047 770 V CA -0.664 61.742 62.300 0.177 0.000 0.880 770 V CB 1.324 33.227 31.823 0.133 0.000 1.009 770 V HN 0.557 nan 8.190 nan 0.000 0.429 771 Y N 4.427 124.706 120.300 -0.036 0.000 2.356 771 Y HA 0.545 5.096 4.550 0.001 0.000 0.334 771 Y C 0.088 175.861 175.900 -0.211 0.000 0.958 771 Y CA -0.441 57.620 58.100 -0.065 0.000 1.196 771 Y CB 1.818 40.234 38.460 -0.073 0.000 1.137 771 Y HN 0.508 nan 8.280 nan 0.000 0.485 772 L N 4.689 125.882 121.223 -0.051 0.000 2.305 772 L HA 0.451 4.791 4.340 0.001 0.000 0.281 772 L C -0.578 176.229 176.870 -0.104 0.000 1.085 772 L CA 0.025 54.802 54.840 -0.106 0.000 0.813 772 L CB 1.019 43.047 42.059 -0.052 0.000 1.157 772 L HN 0.721 nan 8.230 nan 0.000 0.436 773 Q N 2.151 121.847 119.800 -0.172 0.000 2.647 773 Q HA 0.347 4.688 4.340 0.001 0.000 0.283 773 Q C -0.796 175.235 176.000 0.052 0.000 0.943 773 Q CA -0.619 55.133 55.803 -0.086 0.000 0.813 773 Q CB 1.810 30.499 28.738 -0.081 0.000 1.477 773 Q HN 0.760 nan 8.270 nan 0.000 0.393 774 G N 1.473 110.315 108.800 0.070 0.000 2.569 774 G HA2 0.236 4.196 3.960 0.001 0.000 0.249 774 G HA3 0.236 4.196 3.960 0.001 0.000 0.249 774 G C -0.357 174.778 174.900 0.392 0.000 1.216 774 G CA -0.301 44.966 45.100 0.279 0.000 0.845 774 G HN 0.537 nan 8.290 nan 0.000 0.568 775 R N 1.612 122.326 120.500 0.357 0.000 2.697 775 R HA -0.023 4.318 4.340 0.001 0.000 0.265 775 R C -1.378 174.936 176.300 0.022 0.000 1.009 775 R CA -0.721 55.481 56.100 0.170 0.000 1.099 775 R CB 0.537 30.870 30.300 0.055 0.000 0.965 775 R HN 0.314 nan 8.270 nan 0.000 0.428 776 P HA -0.185 nan 4.420 nan 0.000 0.213 776 P C 0.454 177.681 177.300 -0.120 0.000 1.170 776 P CA 1.502 64.488 63.100 -0.190 0.000 0.898 776 P CB -0.028 31.485 31.700 -0.311 0.000 0.787 777 D N -0.365 119.966 120.400 -0.115 0.000 2.389 777 D HA -0.114 4.526 4.640 0.001 0.000 0.221 777 D C 1.268 177.522 176.300 -0.077 0.000 0.974 777 D CA 1.128 55.077 54.000 -0.085 0.000 0.923 777 D CB -0.997 39.753 40.800 -0.083 0.000 0.892 777 D HN 0.164 nan 8.370 nan 0.000 0.518 778 A N 0.033 122.805 122.820 -0.080 0.000 2.348 778 A HA 0.266 4.587 4.320 0.001 0.000 0.224 778 A C 1.377 178.879 177.584 -0.137 0.000 1.227 778 A CA -0.134 51.854 52.037 -0.083 0.000 0.885 778 A CB -0.133 18.848 19.000 -0.031 0.000 0.933 778 A HN 0.351 nan 8.150 nan 0.000 0.506 779 R N -2.225 118.128 120.500 -0.244 0.000 2.534 779 R HA 0.332 4.673 4.340 0.001 0.000 0.438 779 R C 0.374 176.655 176.300 -0.032 0.000 0.913 779 R CA -0.260 55.483 56.100 -0.595 0.000 1.130 779 R CB -0.362 29.421 30.300 -0.862 0.000 1.611 779 R HN 0.156 nan 8.270 nan 0.000 0.571 780 M N -0.004 119.624 119.600 0.047 0.000 2.394 780 M HA 0.232 4.713 4.480 0.001 0.000 0.266 780 M C -0.263 176.138 176.300 0.168 0.000 1.098 780 M CA 0.694 56.056 55.300 0.103 0.000 1.149 780 M CB -0.627 31.995 32.600 0.037 0.000 1.369 780 M HN 0.105 nan 8.290 nan 0.000 0.450 781 N N -0.529 118.286 118.700 0.191 0.000 2.265 781 N HA 0.321 5.062 4.740 0.001 0.000 0.300 781 N C -2.063 173.582 175.510 0.225 0.000 1.148 781 N CA -1.726 51.425 53.050 0.168 0.000 0.772 781 N CB 1.647 40.194 38.487 0.100 0.000 1.434 781 N HN -0.294 nan 8.380 nan 0.000 0.481 782 P HA -0.149 nan 4.420 nan 0.000 0.217 782 P C 0.169 177.571 177.300 0.170 0.000 1.151 782 P CA 1.424 64.554 63.100 0.048 0.000 0.849 782 P CB 0.369 31.945 31.700 -0.205 0.000 0.787 783 D N -0.878 119.606 120.400 0.140 0.000 2.144 783 D HA -0.130 4.511 4.640 0.001 0.000 0.200 783 D C 1.356 177.765 176.300 0.182 0.000 0.978 783 D CA 1.052 55.133 54.000 0.136 0.000 0.833 783 D CB -0.925 39.928 40.800 0.089 0.000 0.961 783 D HN 0.179 nan 8.370 nan 0.000 0.470 784 D N 0.128 120.662 120.400 0.223 0.000 2.265 784 D HA -0.120 4.521 4.640 0.001 0.000 0.208 784 D C 2.028 178.590 176.300 0.436 0.000 0.977 784 D CA 0.212 54.352 54.000 0.234 0.000 0.871 784 D CB -0.282 40.629 40.800 0.184 0.000 0.925 784 D HN 0.233 nan 8.370 nan 0.000 0.485 785 L N 0.672 122.243 121.223 0.579 0.000 2.127 785 L HA -0.194 4.147 4.340 0.001 0.000 0.211 785 L C 2.368 179.434 176.870 0.326 0.000 1.089 785 L CA 1.327 56.518 54.840 0.585 0.000 0.757 785 L CB -0.332 41.831 42.059 0.174 0.000 0.899 785 L HN 0.121 nan 8.230 nan 0.000 0.434 786 S N -0.786 115.064 115.700 0.250 0.000 2.406 786 S HA -0.157 4.314 4.470 0.001 0.000 0.228 786 S C 1.749 176.427 174.600 0.130 0.000 1.020 786 S CA 0.497 58.802 58.200 0.176 0.000 0.965 786 S CB -0.328 62.934 63.200 0.103 0.000 0.798 786 S HN 0.386 nan 8.310 nan 0.000 0.488 787 K N 0.091 120.550 120.400 0.098 0.000 2.520 787 K HA -0.061 4.260 4.320 0.001 0.000 0.197 787 K C -0.561 176.009 176.600 -0.050 0.000 1.043 787 K CA 0.615 56.885 56.287 -0.029 0.000 0.944 787 K CB -0.203 32.151 32.500 -0.244 0.000 0.770 787 K HN 0.522 nan 8.250 nan 0.000 0.480 788 W N 0.581 122.016 121.300 0.224 0.000 2.349 788 W HA 0.273 4.934 4.660 0.001 0.000 0.309 788 W C -0.364 176.399 176.519 0.407 0.000 1.083 788 W CA -0.833 56.699 57.345 0.311 0.000 1.224 788 W CB 0.555 30.135 29.460 0.200 0.000 1.256 788 W HN -0.128 nan 8.180 nan 0.000 0.461 789 Y N 2.170 122.754 120.300 0.473 0.000 2.387 789 Y HA 0.568 5.119 4.550 0.001 0.000 0.336 789 Y C 0.215 176.333 175.900 0.365 0.000 1.067 789 Y CA -1.342 56.970 58.100 0.354 0.000 1.114 789 Y CB 1.198 39.776 38.460 0.196 0.000 1.208 789 Y HN 0.014 nan 8.280 nan 0.000 0.458 790 V N 3.082 123.248 119.914 0.419 0.000 2.581 790 V HA 0.484 4.605 4.120 0.001 0.000 0.303 790 V C -0.150 176.093 176.094 0.247 0.000 1.041 790 V CA -1.449 61.038 62.300 0.312 0.000 0.907 790 V CB 1.629 33.602 31.823 0.249 0.000 0.994 790 V HN 0.707 nan 8.190 nan 0.000 0.442 791 R N 3.245 123.859 120.500 0.191 0.000 2.442 791 R HA 0.179 4.519 4.340 0.001 0.000 0.291 791 R C 0.331 176.700 176.300 0.116 0.000 1.069 791 R CA 0.165 56.352 56.100 0.145 0.000 1.022 791 R CB 0.242 30.611 30.300 0.115 0.000 0.976 791 R HN 0.908 nan 8.270 nan 0.000 0.443 792 N N 1.277 120.040 118.700 0.105 0.000 2.332 792 N HA -0.107 4.634 4.740 0.001 0.000 0.285 792 N C 0.378 175.923 175.510 0.059 0.000 1.292 792 N CA -0.449 52.652 53.050 0.085 0.000 0.947 792 N CB 0.390 38.924 38.487 0.079 0.000 1.084 792 N HN 0.718 nan 8.380 nan 0.000 0.529 793 D N -0.048 120.381 120.400 0.047 0.000 2.203 793 D HA -0.123 4.518 4.640 0.001 0.000 0.199 793 D C -0.383 175.937 176.300 0.033 0.000 0.997 793 D CA 1.730 55.750 54.000 0.033 0.000 0.863 793 D CB 0.242 41.059 40.800 0.027 0.000 0.928 793 D HN 0.175 nan 8.370 nan 0.000 0.458 794 K N -2.702 117.722 120.400 0.039 0.000 2.594 794 K HA 0.387 4.707 4.320 0.001 0.000 0.262 794 K C 0.282 176.906 176.600 0.041 0.000 0.954 794 K CA 0.403 56.712 56.287 0.038 0.000 0.917 794 K CB 0.782 33.299 32.500 0.028 0.000 1.343 794 K HN 0.115 nan 8.250 nan 0.000 0.428 795 G N 3.530 112.357 108.800 0.045 0.000 3.757 795 G HA2 -0.304 3.657 3.960 0.001 0.000 0.215 795 G HA3 -0.304 3.657 3.960 0.001 0.000 0.215 795 G C -0.366 174.565 174.900 0.053 0.000 1.411 795 G CA 0.489 45.615 45.100 0.043 0.000 0.896 795 G HN 0.677 nan 8.290 nan 0.000 0.581 796 E N 2.343 122.578 120.200 0.058 0.000 2.313 796 E HA 0.583 4.934 4.350 0.001 0.000 0.276 796 E C 0.071 176.738 176.600 0.111 0.000 1.031 796 E CA -0.667 55.776 56.400 0.072 0.000 0.857 796 E CB 0.786 30.524 29.700 0.063 0.000 1.040 796 E HN 0.232 nan 8.360 nan 0.000 0.408 797 M N 2.890 122.577 119.600 0.145 0.000 2.146 797 M HA 0.215 4.695 4.480 0.001 0.000 0.357 797 M C -0.626 175.887 176.300 0.354 0.000 1.261 797 M CA -0.846 54.609 55.300 0.258 0.000 1.106 797 M CB 0.914 33.658 32.600 0.239 0.000 1.612 797 M HN 0.390 nan 8.290 nan 0.000 0.470 798 V N 6.569 126.638 119.914 0.259 0.000 2.394 798 V HA 0.424 4.544 4.120 0.001 0.000 0.282 798 V C -2.149 173.832 176.094 -0.189 0.000 1.031 798 V CA -1.612 60.728 62.300 0.066 0.000 0.881 798 V CB 1.638 33.485 31.823 0.041 0.000 0.982 798 V HN 0.636 nan 8.190 nan 0.000 0.451 799 P HA 0.325 nan 4.420 nan 0.000 0.278 799 P C 0.435 177.376 177.300 -0.599 0.000 1.238 799 P CA -0.425 62.162 63.100 -0.855 0.000 0.794 799 P CB 0.636 31.845 31.700 -0.818 0.000 0.955 800 F N 1.293 120.979 119.950 -0.441 0.000 2.250 800 F HA -0.246 4.282 4.527 0.001 0.000 0.301 800 F C 1.713 177.269 175.800 -0.407 0.000 1.077 800 F CA 1.808 59.596 58.000 -0.353 0.000 1.348 800 F CB -1.046 38.006 39.000 0.087 0.000 1.040 800 F HN 0.341 nan 8.300 nan 0.000 0.509 801 N N 0.358 118.975 118.700 -0.138 0.000 2.182 801 N HA -0.267 4.474 4.740 0.001 0.000 0.192 801 N C 1.861 177.244 175.510 -0.212 0.000 1.007 801 N CA 1.385 54.365 53.050 -0.116 0.000 0.873 801 N CB -0.718 37.710 38.487 -0.099 0.000 0.998 801 N HN 0.345 nan 8.380 nan 0.000 0.436 802 A N 0.788 123.341 122.820 -0.446 0.000 1.828 802 A HA -0.066 4.254 4.320 0.001 0.000 0.215 802 A C 1.870 179.269 177.584 -0.309 0.000 1.203 802 A CA 1.637 53.415 52.037 -0.432 0.000 0.614 802 A CB -0.928 17.714 19.000 -0.597 0.000 0.844 802 A HN 0.455 nan 8.150 nan 0.000 0.445 803 F N -1.248 118.640 119.950 -0.103 0.000 2.656 803 F HA 0.641 5.168 4.527 0.001 0.000 0.291 803 F C 1.118 176.871 175.800 -0.078 0.000 1.122 803 F CA -0.294 57.642 58.000 -0.108 0.000 1.427 803 F CB -0.248 38.652 39.000 -0.167 0.000 1.125 803 F HN 0.183 nan 8.300 nan 0.000 0.583 804 A N 1.483 124.485 122.820 0.303 0.000 2.362 804 A HA 0.506 4.827 4.320 0.001 0.000 0.276 804 A C -0.016 177.650 177.584 0.137 0.000 1.153 804 A CA 0.100 52.315 52.037 0.297 0.000 0.813 804 A CB 0.149 19.487 19.000 0.564 0.000 1.081 804 A HN 0.273 nan 8.150 nan 0.000 0.507 805 T N 2.036 116.631 114.554 0.069 0.000 2.937 805 T HA 0.596 4.946 4.350 0.001 0.000 0.297 805 T C 0.231 174.910 174.700 -0.036 0.000 0.991 805 T CA 0.237 62.357 62.100 0.034 0.000 0.990 805 T CB 0.686 69.571 68.868 0.028 0.000 0.991 805 T HN 1.160 nan 8.240 nan 0.000 0.440 806 G N 3.166 111.967 108.800 0.003 0.000 2.504 806 G HA2 0.717 4.678 3.960 0.001 0.000 0.288 806 G HA3 0.717 4.678 3.960 0.001 0.000 0.288 806 G C -1.113 173.791 174.900 0.007 0.000 1.182 806 G CA -0.582 44.464 45.100 -0.090 0.000 0.894 806 G HN 0.780 nan 8.290 nan 0.000 0.521 807 K N -0.834 119.513 120.400 -0.088 0.000 2.551 807 K HA 0.226 4.547 4.320 0.001 0.000 0.269 807 K C -1.992 174.581 176.600 -0.046 0.000 0.949 807 K CA -0.616 55.673 56.287 0.004 0.000 0.849 807 K CB 2.546 35.030 32.500 -0.026 0.000 1.411 807 K HN 0.527 nan 8.250 nan 0.000 0.432 808 W N 2.083 123.445 121.300 0.102 0.000 2.282 808 W HA 0.321 4.981 4.660 0.001 0.000 0.322 808 W C -0.012 176.490 176.519 -0.028 0.000 1.011 808 W CA -0.224 57.146 57.345 0.042 0.000 1.392 808 W CB 1.064 30.511 29.460 -0.022 0.000 1.215 808 W HN 0.378 nan 8.180 nan 0.000 0.394 809 E N 0.968 121.245 120.200 0.129 0.000 2.243 809 E HA 0.401 4.752 4.350 0.001 0.000 0.260 809 E C -1.201 175.428 176.600 0.049 0.000 0.985 809 E CA -1.209 55.245 56.400 0.090 0.000 0.858 809 E CB 1.910 31.644 29.700 0.057 0.000 1.210 809 E HN 0.276 nan 8.360 nan 0.000 0.411 810 Y N -0.568 119.794 120.300 0.104 0.000 2.376 810 Y HA 0.585 5.136 4.550 0.001 0.000 0.325 810 Y C 0.622 176.552 175.900 0.050 0.000 1.199 810 Y CA 0.014 58.168 58.100 0.091 0.000 1.206 810 Y CB 2.012 40.522 38.460 0.082 0.000 1.229 810 Y HN 0.566 nan 8.280 nan 0.000 0.480 811 G N 0.049 109.021 108.800 0.286 0.000 2.608 811 G HA2 0.448 4.409 3.960 0.001 0.000 0.291 811 G HA3 0.448 4.409 3.960 0.001 0.000 0.291 811 G C -1.827 173.152 174.900 0.131 0.000 1.425 811 G CA -1.141 44.032 45.100 0.123 0.000 0.787 811 G HN 0.535 nan 8.290 nan 0.000 0.484 812 S N 0.333 116.063 115.700 0.050 0.000 2.480 812 S HA 0.559 5.029 4.470 0.001 0.000 0.286 812 S C -2.240 172.406 174.600 0.077 0.000 1.180 812 S CA -1.352 56.904 58.200 0.095 0.000 1.075 812 S CB 2.288 65.572 63.200 0.141 0.000 0.996 812 S HN 0.362 nan 8.310 nan 0.000 0.487 813 P HA 0.247 nan 4.420 nan 0.000 0.257 813 P C -0.315 177.032 177.300 0.079 0.000 1.281 813 P CA 0.278 63.426 63.100 0.080 0.000 0.826 813 P CB 0.077 31.829 31.700 0.087 0.000 1.237 814 K N 0.757 121.208 120.400 0.085 0.000 2.690 814 K HA 0.224 4.545 4.320 0.001 0.000 0.305 814 K C -1.425 175.237 176.600 0.103 0.000 1.200 814 K CA -0.372 55.969 56.287 0.089 0.000 1.071 814 K CB 0.502 33.053 32.500 0.085 0.000 1.366 814 K HN -0.051 nan 8.250 nan 0.000 0.513 815 L N 3.015 124.298 121.223 0.100 0.000 2.326 815 L HA 0.405 4.745 4.340 0.001 0.000 0.278 815 L C 0.070 177.009 176.870 0.115 0.000 1.092 815 L CA -0.287 54.624 54.840 0.118 0.000 0.810 815 L CB 1.164 43.280 42.059 0.096 0.000 1.153 815 L HN 0.485 nan 8.230 nan 0.000 0.439 816 E N 3.441 123.719 120.200 0.129 0.000 2.222 816 E HA 0.556 4.907 4.350 0.001 0.000 0.267 816 E C -1.105 175.560 176.600 0.109 0.000 0.884 816 E CA -1.024 55.460 56.400 0.140 0.000 0.764 816 E CB 1.988 31.813 29.700 0.208 0.000 1.169 816 E HN 0.350 nan 8.360 nan 0.000 0.413 817 R N 1.926 122.464 120.500 0.063 0.000 2.807 817 R HA 0.474 4.815 4.340 0.001 0.000 0.276 817 R C -1.356 174.892 176.300 -0.086 0.000 0.979 817 R CA -1.025 55.078 56.100 0.003 0.000 0.928 817 R CB 1.353 31.648 30.300 -0.007 0.000 1.191 817 R HN 0.624 nan 8.270 nan 0.000 0.471 818 Y N 1.922 122.029 120.300 -0.323 0.000 2.315 818 Y HA 0.196 4.747 4.550 0.001 0.000 0.324 818 Y C -0.700 175.022 175.900 -0.297 0.000 1.062 818 Y CA -0.698 57.093 58.100 -0.516 0.000 1.159 818 Y CB 0.915 38.737 38.460 -1.062 0.000 1.145 818 Y HN 0.744 nan 8.280 nan 0.000 0.442 819 N N 4.100 122.469 118.700 -0.552 0.000 2.783 819 N HA -0.170 4.570 4.740 0.001 0.000 0.247 819 N C 0.901 176.296 175.510 -0.192 0.000 1.089 819 N CA 1.652 54.474 53.050 -0.381 0.000 0.690 819 N CB -1.251 37.005 38.487 -0.385 0.000 0.991 819 N HN 1.439 nan 8.380 nan 0.000 0.552 820 G N -3.146 105.563 108.800 -0.151 0.000 2.267 820 G HA2 -0.343 3.618 3.960 0.001 0.000 0.257 820 G HA3 -0.343 3.618 3.960 0.001 0.000 0.257 820 G C 0.101 174.968 174.900 -0.054 0.000 0.998 820 G CA 0.535 45.583 45.100 -0.087 0.000 0.620 820 G HN 0.722 nan 8.290 nan 0.000 0.529 821 V N 1.038 120.919 119.914 -0.054 0.000 2.713 821 V HA 0.629 4.749 4.120 0.001 0.000 0.307 821 V C -2.038 174.056 176.094 -0.000 0.000 1.052 821 V CA -2.179 60.109 62.300 -0.019 0.000 0.967 821 V CB 1.744 33.558 31.823 -0.014 0.000 1.019 821 V HN 0.086 nan 8.190 nan 0.000 0.459 822 P HA 0.482 nan 4.420 nan 0.000 0.271 822 P C -0.659 176.674 177.300 0.055 0.000 1.216 822 P CA 0.237 63.367 63.100 0.049 0.000 0.771 822 P CB 0.853 32.593 31.700 0.068 0.000 0.864 823 A N 3.276 126.149 122.820 0.089 0.000 2.593 823 A HA 0.864 5.184 4.320 0.001 0.000 0.290 823 A C -1.330 176.359 177.584 0.175 0.000 1.126 823 A CA -0.699 51.421 52.037 0.139 0.000 0.695 823 A CB 1.319 20.443 19.000 0.206 0.000 1.290 823 A HN 0.405 nan 8.150 nan 0.000 0.414 824 M N 1.355 121.027 119.600 0.120 0.000 2.151 824 M HA 0.374 4.855 4.480 0.001 0.000 0.290 824 M C -0.582 175.595 176.300 -0.205 0.000 0.965 824 M CA -0.200 55.096 55.300 -0.007 0.000 0.930 824 M CB 1.839 34.390 32.600 -0.082 0.000 1.560 824 M HN 0.868 nan 8.290 nan 0.000 0.438 825 E N 4.879 124.837 120.200 -0.403 0.000 2.316 825 E HA 0.476 4.827 4.350 0.001 0.000 0.275 825 E C -1.157 175.133 176.600 -0.517 0.000 1.029 825 E CA -0.322 55.551 56.400 -0.878 0.000 0.871 825 E CB 1.100 30.162 29.700 -1.063 0.000 1.022 825 E HN 0.715 nan 8.360 nan 0.000 0.418 826 I N 2.820 123.085 120.570 -0.509 0.000 2.545 826 I HA 0.383 4.554 4.170 0.001 0.000 0.292 826 I C -1.054 174.861 176.117 -0.338 0.000 1.040 826 I CA -1.001 60.081 61.300 -0.363 0.000 1.068 826 I CB 1.216 38.994 38.000 -0.370 0.000 1.251 826 I HN 0.374 nan 8.210 nan 0.000 0.424 827 L N 4.502 125.513 121.223 -0.353 0.000 2.635 827 L HA 0.948 5.289 4.340 0.001 0.000 0.250 827 L C 0.611 177.040 176.870 -0.734 0.000 1.117 827 L CA -0.244 54.281 54.840 -0.526 0.000 0.834 827 L CB 1.084 42.903 42.059 -0.400 0.000 1.544 827 L HN 1.038 nan 8.230 nan 0.000 0.511 828 G N -0.195 108.036 108.800 -0.948 0.000 2.347 828 G HA2 0.277 4.238 3.960 0.001 0.000 0.303 828 G HA3 0.277 4.238 3.960 0.001 0.000 0.303 828 G C -1.733 172.859 174.900 -0.514 0.000 1.481 828 G CA -0.700 43.969 45.100 -0.719 0.000 0.914 828 G HN 0.462 nan 8.290 nan 0.000 0.638 829 E N 0.195 120.363 120.200 -0.053 0.000 2.336 829 E HA 0.581 4.932 4.350 0.001 0.000 0.267 829 E C -2.673 174.033 176.600 0.177 0.000 0.906 829 E CA -1.870 54.568 56.400 0.064 0.000 0.781 829 E CB 3.161 32.858 29.700 -0.005 0.000 1.261 829 E HN 0.285 nan 8.360 nan 0.000 0.436 830 P HA 0.112 nan 4.420 nan 0.000 0.277 830 P C -0.972 176.362 177.300 0.057 0.000 1.240 830 P CA -0.257 62.903 63.100 0.099 0.000 0.798 830 P CB 0.648 32.385 31.700 0.061 0.000 0.979 831 A N 4.166 127.010 122.820 0.041 0.000 2.492 831 A HA 0.244 4.564 4.320 0.001 0.000 0.236 831 A C -1.969 175.625 177.584 0.016 0.000 1.078 831 A CA -0.802 51.250 52.037 0.026 0.000 0.773 831 A CB -1.676 17.334 19.000 0.016 0.000 1.023 831 A HN 0.441 nan 8.150 nan 0.000 0.504 832 P HA 0.168 nan 4.420 nan 0.000 0.258 832 P C 1.064 178.362 177.300 -0.003 0.000 1.172 832 P CA 2.078 65.181 63.100 0.006 0.000 0.762 832 P CB 0.259 31.963 31.700 0.007 0.000 0.764 833 G N 2.352 111.147 108.800 -0.009 0.000 2.284 833 G HA2 -0.218 3.742 3.960 0.001 0.000 0.230 833 G HA3 -0.218 3.742 3.960 0.001 0.000 0.230 833 G C 0.043 174.930 174.900 -0.021 0.000 1.021 833 G CA -0.356 44.731 45.100 -0.022 0.000 0.619 833 G HN 0.460 nan 8.290 nan 0.000 0.510 834 L N 1.870 123.087 121.223 -0.011 0.000 2.439 834 L HA 0.597 4.937 4.340 0.001 0.000 0.261 834 L C 1.255 178.120 176.870 -0.007 0.000 1.153 834 L CA 0.031 54.864 54.840 -0.012 0.000 0.808 834 L CB 1.360 43.415 42.059 -0.008 0.000 1.126 834 L HN 0.498 nan 8.230 nan 0.000 0.460 835 S N -1.207 114.485 115.700 -0.014 0.000 2.651 835 S HA 0.188 4.659 4.470 0.001 0.000 0.291 835 S C 0.971 175.557 174.600 -0.024 0.000 1.141 835 S CA -0.189 58.002 58.200 -0.015 0.000 1.027 835 S CB 1.700 64.888 63.200 -0.021 0.000 1.043 835 S HN 0.717 nan 8.310 nan 0.000 0.530 836 S N 1.664 117.349 115.700 -0.025 0.000 2.402 836 S HA -0.089 4.381 4.470 0.001 0.000 0.233 836 S C 1.941 176.469 174.600 -0.119 0.000 1.030 836 S CA 1.229 59.400 58.200 -0.048 0.000 1.003 836 S CB -1.611 61.556 63.200 -0.054 0.000 0.813 836 S HN 1.124 nan 8.310 nan 0.000 0.477 837 G N 1.790 110.527 108.800 -0.105 0.000 2.432 837 G HA2 -0.163 3.797 3.960 0.001 0.000 0.219 837 G HA3 -0.163 3.797 3.960 0.001 0.000 0.219 837 G C 1.126 175.964 174.900 -0.103 0.000 1.135 837 G CA 1.001 46.029 45.100 -0.121 0.000 0.767 837 G HN 0.545 nan 8.290 nan 0.000 0.550 838 D N 1.084 121.440 120.400 -0.073 0.000 2.123 838 D HA 0.018 4.659 4.640 0.001 0.000 0.200 838 D C 2.835 179.090 176.300 -0.076 0.000 0.976 838 D CA 1.098 55.063 54.000 -0.059 0.000 0.831 838 D CB -0.542 40.235 40.800 -0.038 0.000 0.974 838 D HN 0.288 nan 8.370 nan 0.000 0.469 839 A N 1.307 124.075 122.820 -0.086 0.000 1.865 839 A HA -0.205 4.116 4.320 0.001 0.000 0.217 839 A C 2.308 179.762 177.584 -0.217 0.000 1.191 839 A CA 1.716 53.679 52.037 -0.123 0.000 0.623 839 A CB -0.697 18.263 19.000 -0.066 0.000 0.826 839 A HN 0.136 nan 8.150 nan 0.000 0.444 840 M N -0.616 118.823 119.600 -0.269 0.000 2.149 840 M HA -0.176 4.304 4.480 0.001 0.000 0.261 840 M C 2.551 178.829 176.300 -0.037 0.000 1.064 840 M CA 1.413 56.560 55.300 -0.254 0.000 1.102 840 M CB -0.588 31.665 32.600 -0.578 0.000 1.369 840 M HN 0.515 nan 8.290 nan 0.000 0.408 841 A N 0.652 123.430 122.820 -0.069 0.000 1.883 841 A HA -0.123 4.197 4.320 0.001 0.000 0.217 841 A C 2.399 179.965 177.584 -0.030 0.000 1.186 841 A CA 2.220 54.242 52.037 -0.026 0.000 0.624 841 A CB -0.974 18.004 19.000 -0.036 0.000 0.822 841 A HN 0.512 nan 8.150 nan 0.000 0.444 842 A N -0.770 122.013 122.820 -0.062 0.000 1.873 842 A HA 0.033 4.354 4.320 0.001 0.000 0.215 842 A C 2.230 179.748 177.584 -0.111 0.000 1.186 842 A CA 1.674 53.663 52.037 -0.081 0.000 0.616 842 A CB -1.040 17.909 19.000 -0.086 0.000 0.823 842 A HN 0.414 nan 8.150 nan 0.000 0.442 843 V N 0.651 120.494 119.914 -0.118 0.000 2.324 843 V HA -0.296 3.825 4.120 0.001 0.000 0.250 843 V C 2.248 178.248 176.094 -0.158 0.000 1.060 843 V CA 2.300 64.517 62.300 -0.138 0.000 1.042 843 V CB -0.881 30.898 31.823 -0.073 0.000 0.650 843 V HN 0.630 nan 8.190 nan 0.000 0.450 844 E N -0.710 119.446 120.200 -0.073 0.000 2.463 844 E HA -0.230 4.121 4.350 0.001 0.000 0.201 844 E C 2.008 178.562 176.600 -0.077 0.000 1.045 844 E CA 0.815 57.158 56.400 -0.095 0.000 0.872 844 E CB 0.073 29.826 29.700 0.089 0.000 0.797 844 E HN 0.590 nan 8.360 nan 0.000 0.538 845 E N 0.843 120.991 120.200 -0.086 0.000 2.201 845 E HA -0.006 4.345 4.350 0.001 0.000 0.193 845 E C 1.648 178.183 176.600 -0.109 0.000 0.957 845 E CA 0.198 56.553 56.400 -0.074 0.000 0.858 845 E CB 0.199 29.861 29.700 -0.064 0.000 0.816 845 E HN 0.328 nan 8.360 nan 0.000 0.475 846 I N -1.575 118.890 120.570 -0.175 0.000 3.764 846 I HA 0.191 4.361 4.170 0.001 0.000 0.312 846 I C 0.266 176.255 176.117 -0.214 0.000 1.340 846 I CA 0.076 61.233 61.300 -0.239 0.000 1.195 846 I CB 0.449 38.209 38.000 -0.399 0.000 1.068 846 I HN -0.142 nan 8.210 nan 0.000 0.421 847 V N 0.749 120.585 119.914 -0.129 0.000 3.635 847 V HA 0.106 4.226 4.120 0.001 0.000 0.266 847 V C 2.084 178.173 176.094 -0.007 0.000 1.316 847 V CA 0.554 62.818 62.300 -0.061 0.000 1.060 847 V CB 0.061 31.733 31.823 -0.252 0.000 0.820 847 V HN 0.389 nan 8.190 nan 0.000 0.447 848 K N 0.328 120.716 120.400 -0.020 0.000 2.366 848 K HA 0.027 4.348 4.320 0.001 0.000 0.198 848 K C 1.208 177.808 176.600 0.001 0.000 1.044 848 K CA 0.626 56.917 56.287 0.008 0.000 0.973 848 K CB 0.063 32.566 32.500 0.005 0.000 0.767 848 K HN 0.470 nan 8.250 nan 0.000 0.475 849 Q N 0.930 120.719 119.800 -0.018 0.000 2.242 849 Q HA 0.204 4.544 4.340 0.001 0.000 0.246 849 Q C -0.441 175.558 176.000 -0.001 0.000 0.883 849 Q CA -0.067 55.726 55.803 -0.017 0.000 0.984 849 Q CB 0.191 28.905 28.738 -0.040 0.000 1.096 849 Q HN 0.229 nan 8.270 nan 0.000 0.452 850 L N 0.881 122.116 121.223 0.019 0.000 2.352 850 L HA 0.434 4.775 4.340 0.001 0.000 0.269 850 L C -2.079 174.807 176.870 0.028 0.000 1.034 850 L CA -2.468 52.394 54.840 0.036 0.000 0.806 850 L CB 0.888 42.985 42.059 0.063 0.000 1.244 850 L HN -0.061 nan 8.230 nan 0.000 0.447 851 P HA -0.013 nan 4.420 nan 0.000 0.256 851 P C -0.939 176.373 177.300 0.020 0.000 1.189 851 P CA 0.007 63.118 63.100 0.018 0.000 0.808 851 P CB -0.018 31.690 31.700 0.013 0.000 0.793 852 K N 2.840 123.251 120.400 0.018 0.000 2.441 852 K HA 0.091 4.412 4.320 0.001 0.000 0.273 852 K C 1.340 177.950 176.600 0.017 0.000 1.090 852 K CA 1.287 57.585 56.287 0.019 0.000 1.158 852 K CB -0.487 32.022 32.500 0.015 0.000 0.847 852 K HN 0.834 nan 8.250 nan 0.000 0.483 853 G N 1.317 110.128 108.800 0.018 0.000 2.296 853 G HA2 -0.193 3.767 3.960 0.001 0.000 0.188 853 G HA3 -0.193 3.767 3.960 0.001 0.000 0.188 853 G C -0.196 174.713 174.900 0.016 0.000 1.000 853 G CA -0.456 44.653 45.100 0.015 0.000 0.672 853 G HN 0.427 nan 8.290 nan 0.000 0.483 854 V N 1.091 121.018 119.914 0.022 0.000 2.483 854 V HA 0.847 4.968 4.120 0.001 0.000 0.295 854 V C 0.876 176.996 176.094 0.044 0.000 1.035 854 V CA 0.317 62.632 62.300 0.025 0.000 0.896 854 V CB 1.467 33.303 31.823 0.021 0.000 0.986 854 V HN 0.770 nan 8.190 nan 0.000 0.447 855 G N 2.518 111.342 108.800 0.040 0.000 3.140 855 G HA2 0.791 4.751 3.960 0.001 0.000 0.271 855 G HA3 0.791 4.751 3.960 0.001 0.000 0.271 855 G C -1.527 173.427 174.900 0.089 0.000 1.370 855 G CA -0.529 44.605 45.100 0.056 0.000 1.014 855 G HN 0.811 nan 8.290 nan 0.000 0.541 856 Y N -1.758 118.487 120.300 -0.093 0.000 2.715 856 Y HA 0.808 5.358 4.550 0.001 0.000 0.331 856 Y C -0.519 175.285 175.900 -0.160 0.000 1.197 856 Y CA -1.227 56.772 58.100 -0.169 0.000 1.079 856 Y CB 1.644 39.930 38.460 -0.291 0.000 1.298 856 Y HN 1.060 nan 8.280 nan 0.000 0.477 857 S N -1.142 114.430 115.700 -0.213 0.000 2.583 857 S HA 0.314 4.784 4.470 0.001 0.000 0.294 857 S C -1.861 172.698 174.600 -0.068 0.000 1.121 857 S CA -1.073 56.994 58.200 -0.221 0.000 0.910 857 S CB -0.379 62.822 63.200 0.002 0.000 1.102 857 S HN 0.811 nan 8.310 nan 0.000 0.451 858 W N 1.694 123.116 121.300 0.203 0.000 2.158 858 W HA 0.504 5.164 4.660 0.001 0.000 0.339 858 W C 1.675 178.275 176.519 0.136 0.000 1.294 858 W CA 0.627 58.080 57.345 0.181 0.000 1.231 858 W CB 0.906 30.491 29.460 0.209 0.000 1.143 858 W HN 0.911 nan 8.180 nan 0.000 0.571 859 T N -0.145 114.581 114.554 0.287 0.000 3.105 859 T HA 0.225 4.575 4.350 0.001 0.000 0.257 859 T C 1.046 175.820 174.700 0.123 0.000 0.949 859 T CA 0.694 62.781 62.100 -0.023 0.000 0.959 859 T CB -0.651 68.052 68.868 -0.276 0.000 1.205 859 T HN 0.480 nan 8.240 nan 0.000 0.496 860 G N 1.333 110.243 108.800 0.184 0.000 2.928 860 G HA2 0.364 4.325 3.960 0.001 0.000 0.163 860 G HA3 0.364 4.325 3.960 0.001 0.000 0.163 860 G C 0.881 175.896 174.900 0.192 0.000 1.573 860 G CA -0.262 44.942 45.100 0.174 0.000 1.084 860 G HN 0.361 nan 8.290 nan 0.000 0.569 861 L N 0.769 122.037 121.223 0.075 0.000 2.447 861 L HA -0.108 4.233 4.340 0.001 0.000 0.225 861 L C 3.043 179.920 176.870 0.011 0.000 1.148 861 L CA 0.748 55.586 54.840 -0.003 0.000 0.808 861 L CB -0.242 41.721 42.059 -0.160 0.000 0.928 861 L HN 0.326 nan 8.230 nan 0.000 0.448 862 S N -0.792 114.954 115.700 0.076 0.000 2.355 862 S HA -0.232 4.239 4.470 0.001 0.000 0.222 862 S C 1.808 176.441 174.600 0.055 0.000 1.031 862 S CA 1.053 59.262 58.200 0.016 0.000 0.993 862 S CB -0.479 62.814 63.200 0.154 0.000 0.859 862 S HN 0.460 nan 8.310 nan 0.000 0.453 863 Y N 2.593 122.976 120.300 0.138 0.000 2.114 863 Y HA -0.255 4.296 4.550 0.001 0.000 0.282 863 Y C 2.223 178.185 175.900 0.103 0.000 1.165 863 Y CA 1.974 60.186 58.100 0.187 0.000 1.148 863 Y CB -0.397 38.245 38.460 0.303 0.000 0.972 863 Y HN 0.289 nan 8.280 nan 0.000 0.504 864 E N -0.165 120.152 120.200 0.196 0.000 2.007 864 E HA -0.225 4.126 4.350 0.001 0.000 0.194 864 E C 2.105 178.671 176.600 -0.056 0.000 0.999 864 E CA 1.221 57.660 56.400 0.065 0.000 0.811 864 E CB -0.241 29.528 29.700 0.114 0.000 0.762 864 E HN 0.509 nan 8.360 nan 0.000 0.450 865 E N 0.731 120.886 120.200 -0.075 0.000 2.113 865 E HA -0.268 4.083 4.350 0.001 0.000 0.210 865 E C 2.010 178.537 176.600 -0.122 0.000 1.040 865 E CA 1.469 57.802 56.400 -0.112 0.000 0.847 865 E CB -0.366 29.242 29.700 -0.153 0.000 0.755 865 E HN 0.279 nan 8.360 nan 0.000 0.459 866 R N 0.016 120.413 120.500 -0.171 0.000 2.189 866 R HA 0.014 4.355 4.340 0.001 0.000 0.223 866 R C 2.526 178.754 176.300 -0.119 0.000 1.092 866 R CA 0.488 56.488 56.100 -0.166 0.000 0.989 866 R CB -0.103 30.073 30.300 -0.207 0.000 0.876 866 R HN 0.186 nan 8.270 nan 0.000 0.457 867 L N 0.047 121.187 121.223 -0.137 0.000 2.051 867 L HA -0.098 4.242 4.340 0.001 0.000 0.202 867 L C 2.603 179.482 176.870 0.015 0.000 1.097 867 L CA 1.225 56.013 54.840 -0.088 0.000 0.762 867 L CB -0.673 41.303 42.059 -0.138 0.000 0.913 867 L HN 0.223 nan 8.230 nan 0.000 0.447 868 S N 0.241 115.970 115.700 0.049 0.000 2.413 868 S HA -0.212 4.259 4.470 0.001 0.000 0.237 868 S C 1.974 176.670 174.600 0.159 0.000 1.044 868 S CA 1.410 59.703 58.200 0.154 0.000 1.024 868 S CB -1.343 61.867 63.200 0.017 0.000 0.829 868 S HN 0.515 nan 8.310 nan 0.000 0.475 869 G N 1.775 110.604 108.800 0.048 0.000 2.422 869 G HA2 -0.187 3.773 3.960 0.001 0.000 0.218 869 G HA3 -0.187 3.773 3.960 0.001 0.000 0.218 869 G C 1.761 176.704 174.900 0.070 0.000 1.146 869 G CA 1.316 46.444 45.100 0.047 0.000 0.769 869 G HN 0.862 nan 8.290 nan 0.000 0.547 870 S N 0.878 116.608 115.700 0.050 0.000 2.423 870 S HA -0.144 4.326 4.470 0.001 0.000 0.231 870 S C 2.186 176.816 174.600 0.050 0.000 1.014 870 S CA 1.543 59.767 58.200 0.039 0.000 0.965 870 S CB -0.341 62.870 63.200 0.019 0.000 0.785 870 S HN 0.720 nan 8.310 nan 0.000 0.495 871 Q N 0.788 120.640 119.800 0.087 0.000 2.398 871 Q HA 0.399 4.740 4.340 0.001 0.000 0.204 871 Q C 2.197 178.179 176.000 -0.031 0.000 0.932 871 Q CA 0.607 56.429 55.803 0.032 0.000 0.916 871 Q CB -0.533 28.225 28.738 0.033 0.000 1.024 871 Q HN 0.546 nan 8.270 nan 0.000 0.504 872 A N 2.856 125.737 122.820 0.103 0.000 1.884 872 A HA -0.179 4.142 4.320 0.001 0.000 0.219 872 A C -0.213 177.253 177.584 -0.196 0.000 1.197 872 A CA 1.799 53.822 52.037 -0.022 0.000 0.637 872 A CB -1.564 17.546 19.000 0.183 0.000 0.827 872 A HN 0.381 nan 8.150 nan 0.000 0.450 873 P HA -0.066 nan 4.420 nan 0.000 0.216 873 P C 1.772 179.071 177.300 -0.002 0.000 1.153 873 P CA 1.841 64.997 63.100 0.093 0.000 0.848 873 P CB -0.214 31.530 31.700 0.074 0.000 0.787 874 A N 0.017 122.799 122.820 -0.062 0.000 1.869 874 A HA -0.225 4.096 4.320 0.001 0.000 0.218 874 A C 2.266 179.757 177.584 -0.155 0.000 1.203 874 A CA 1.977 53.958 52.037 -0.094 0.000 0.638 874 A CB -1.798 17.142 19.000 -0.101 0.000 0.831 874 A HN 0.112 nan 8.150 nan 0.000 0.450 875 L N -2.234 118.817 121.223 -0.286 0.000 2.046 875 L HA -0.232 4.108 4.340 0.001 0.000 0.208 875 L C 2.671 179.393 176.870 -0.246 0.000 1.077 875 L CA 1.708 56.325 54.840 -0.372 0.000 0.747 875 L CB -0.853 40.829 42.059 -0.629 0.000 0.896 875 L HN 0.534 nan 8.230 nan 0.000 0.432 876 Y N -0.010 120.231 120.300 -0.097 0.000 2.097 876 Y HA -0.305 4.246 4.550 0.001 0.000 0.282 876 Y C 2.771 178.632 175.900 -0.065 0.000 1.152 876 Y CA 0.729 58.788 58.100 -0.068 0.000 1.136 876 Y CB -0.490 37.947 38.460 -0.038 0.000 0.975 876 Y HN 0.162 nan 8.280 nan 0.000 0.498 877 A N 0.182 123.064 122.820 0.102 0.000 1.986 877 A HA -0.200 4.120 4.320 0.001 0.000 0.220 877 A C 2.209 179.787 177.584 -0.010 0.000 1.171 877 A CA 1.627 53.683 52.037 0.032 0.000 0.640 877 A CB -1.044 17.961 19.000 0.009 0.000 0.811 877 A HN 0.518 nan 8.150 nan 0.000 0.451 878 L N -0.119 121.075 121.223 -0.048 0.000 2.056 878 L HA -0.157 4.183 4.340 0.001 0.000 0.207 878 L C 3.082 179.916 176.870 -0.060 0.000 1.078 878 L CA 1.617 56.409 54.840 -0.079 0.000 0.749 878 L CB -0.358 41.611 42.059 -0.150 0.000 0.901 878 L HN 0.638 nan 8.230 nan 0.000 0.433 879 S N -0.495 115.176 115.700 -0.047 0.000 2.406 879 S HA -0.144 4.326 4.470 0.001 0.000 0.228 879 S C 2.032 176.628 174.600 -0.006 0.000 1.020 879 S CA 0.432 58.611 58.200 -0.034 0.000 0.965 879 S CB -0.344 62.841 63.200 -0.025 0.000 0.798 879 S HN 0.226 nan 8.310 nan 0.000 0.488 880 L N 1.432 122.664 121.223 0.016 0.000 1.970 880 L HA 0.017 4.358 4.340 0.001 0.000 0.212 880 L C 2.587 179.481 176.870 0.039 0.000 1.071 880 L CA 1.853 56.708 54.840 0.025 0.000 0.751 880 L CB -1.270 40.804 42.059 0.024 0.000 0.889 880 L HN 0.438 nan 8.230 nan 0.000 0.432 881 L N -0.747 120.488 121.223 0.020 0.000 2.083 881 L HA -0.183 4.157 4.340 0.001 0.000 0.209 881 L C 2.427 179.352 176.870 0.093 0.000 1.083 881 L CA 1.379 56.242 54.840 0.039 0.000 0.752 881 L CB -0.218 41.839 42.059 -0.003 0.000 0.899 881 L HN 0.108 nan 8.230 nan 0.000 0.433 882 V N -1.013 118.925 119.914 0.039 0.000 2.488 882 V HA -0.173 3.947 4.120 0.001 0.000 0.246 882 V C 2.588 178.698 176.094 0.026 0.000 1.046 882 V CA 0.980 63.295 62.300 0.026 0.000 1.053 882 V CB 0.248 32.059 31.823 -0.021 0.000 0.679 882 V HN 0.216 nan 8.190 nan 0.000 0.458 883 V N -0.171 119.754 119.914 0.020 0.000 2.295 883 V HA -0.286 3.835 4.120 0.001 0.000 0.246 883 V C 2.162 178.265 176.094 0.016 0.000 1.049 883 V CA 2.619 64.917 62.300 -0.004 0.000 1.024 883 V CB -0.645 31.170 31.823 -0.014 0.000 0.648 883 V HN 0.603 nan 8.190 nan 0.000 0.447 884 F N 0.468 120.374 119.950 -0.074 0.000 2.011 884 F HA -0.270 4.257 4.527 0.001 0.000 0.296 884 F C 2.169 177.951 175.800 -0.030 0.000 1.144 884 F CA 2.110 60.056 58.000 -0.091 0.000 1.185 884 F CB -0.593 38.342 39.000 -0.109 0.000 0.961 884 F HN 0.023 nan 8.300 nan 0.000 0.485 885 L N -0.241 121.027 121.223 0.074 0.000 2.034 885 L HA -0.395 3.946 4.340 0.001 0.000 0.217 885 L C 2.709 179.489 176.870 -0.150 0.000 1.077 885 L CA 1.923 56.761 54.840 -0.004 0.000 0.769 885 L CB -1.315 40.824 42.059 0.134 0.000 0.890 885 L HN 0.414 nan 8.230 nan 0.000 0.435 886 C N -0.400 118.827 119.300 -0.122 0.000 2.429 886 C HA -0.154 4.306 4.460 0.001 0.000 0.277 886 C C 2.788 177.632 174.990 -0.243 0.000 1.262 886 C CA 0.505 59.430 59.018 -0.154 0.000 1.733 886 C CB -0.796 26.874 27.740 -0.116 0.000 2.010 886 C HN 0.429 nan 8.230 nan 0.000 0.483 887 L N 0.904 121.964 121.223 -0.271 0.000 2.056 887 L HA -0.124 4.216 4.340 0.001 0.000 0.207 887 L C 2.922 179.579 176.870 -0.356 0.000 1.078 887 L CA 1.470 56.121 54.840 -0.314 0.000 0.749 887 L CB -0.858 41.092 42.059 -0.182 0.000 0.901 887 L HN 0.318 nan 8.230 nan 0.000 0.433 888 A N 0.253 122.782 122.820 -0.484 0.000 1.927 888 A HA -0.294 4.026 4.320 0.001 0.000 0.220 888 A C 2.483 179.815 177.584 -0.419 0.000 1.185 888 A CA 2.249 53.968 52.037 -0.530 0.000 0.639 888 A CB -0.742 17.874 19.000 -0.640 0.000 0.820 888 A HN 0.453 nan 8.150 nan 0.000 0.451 889 A N -0.811 121.804 122.820 -0.342 0.000 1.897 889 A HA 0.069 4.390 4.320 0.001 0.000 0.215 889 A C 2.077 179.495 177.584 -0.278 0.000 1.181 889 A CA 1.256 53.126 52.037 -0.278 0.000 0.620 889 A CB -0.524 18.354 19.000 -0.203 0.000 0.821 889 A HN 0.540 nan 8.150 nan 0.000 0.443 890 L N -1.497 119.506 121.223 -0.366 0.000 2.261 890 L HA -0.164 4.176 4.340 0.001 0.000 0.216 890 L C 1.470 178.042 176.870 -0.498 0.000 1.114 890 L CA 1.992 56.537 54.840 -0.492 0.000 0.777 890 L CB -0.511 41.117 42.059 -0.719 0.000 0.910 890 L HN 0.651 nan 8.230 nan 0.000 0.440 891 Y N -1.456 118.740 120.300 -0.173 0.000 2.430 891 Y HA 0.145 4.696 4.550 0.001 0.000 0.254 891 Y C 0.707 176.508 175.900 -0.165 0.000 1.088 891 Y CA -0.623 57.391 58.100 -0.144 0.000 1.267 891 Y CB 0.711 39.097 38.460 -0.124 0.000 1.204 891 Y HN 0.033 nan 8.280 nan 0.000 0.515 892 E N 1.792 121.926 120.200 -0.109 0.000 2.340 892 E HA -0.169 4.181 4.350 0.001 0.000 0.240 892 E C -0.622 175.845 176.600 -0.222 0.000 1.154 892 E CA 1.030 57.310 56.400 -0.200 0.000 0.717 892 E CB -1.351 28.274 29.700 -0.126 0.000 1.250 892 E HN 0.423 nan 8.360 nan 0.000 0.386 893 S N -2.257 113.276 115.700 -0.278 0.000 2.570 893 S HA 0.557 5.028 4.470 0.001 0.000 0.270 893 S C 0.197 174.620 174.600 -0.295 0.000 1.149 893 S CA -0.739 57.308 58.200 -0.255 0.000 0.837 893 S CB 0.782 63.947 63.200 -0.059 0.000 1.124 893 S HN 0.225 nan 8.310 nan 0.000 0.465 894 W N 1.203 122.553 121.300 0.083 0.000 3.256 894 W HA 0.272 4.932 4.660 0.001 0.000 0.269 894 W C 1.729 178.432 176.519 0.307 0.000 1.310 894 W CA -0.080 57.376 57.345 0.185 0.000 1.673 894 W CB 0.334 29.957 29.460 0.272 0.000 1.115 894 W HN 0.697 nan 8.180 nan 0.000 0.686 895 S N 0.505 116.432 115.700 0.379 0.000 2.738 895 S HA -0.038 4.432 4.470 0.001 0.000 0.216 895 S C 1.781 176.586 174.600 0.341 0.000 0.968 895 S CA 0.470 58.927 58.200 0.429 0.000 0.879 895 S CB -0.717 62.635 63.200 0.253 0.000 0.837 895 S HN 0.312 nan 8.310 nan 0.000 0.622 896 I N 2.258 122.912 120.570 0.140 0.000 2.502 896 I HA -0.045 4.126 4.170 0.001 0.000 0.258 896 I C -1.490 174.654 176.117 0.045 0.000 1.172 896 I CA 1.041 62.376 61.300 0.059 0.000 1.430 896 I CB -1.480 36.475 38.000 -0.074 0.000 1.086 896 I HN 0.143 nan 8.210 nan 0.000 0.440 897 P HA -0.204 nan 4.420 nan 0.000 0.216 897 P C 1.551 178.840 177.300 -0.017 0.000 1.154 897 P CA 1.890 64.984 63.100 -0.010 0.000 0.865 897 P CB -0.273 31.261 31.700 -0.275 0.000 0.789 898 F N 0.099 120.143 119.950 0.156 0.000 2.250 898 F HA -0.174 4.353 4.527 0.001 0.000 0.301 898 F C 2.388 178.158 175.800 -0.050 0.000 1.077 898 F CA 1.562 59.605 58.000 0.071 0.000 1.348 898 F CB -1.216 37.822 39.000 0.064 0.000 1.040 898 F HN 0.013 nan 8.300 nan 0.000 0.509 899 S N -0.775 115.019 115.700 0.157 0.000 2.555 899 S HA -0.053 4.418 4.470 0.001 0.000 0.230 899 S C 1.539 176.185 174.600 0.076 0.000 0.978 899 S CA 1.036 59.305 58.200 0.115 0.000 0.934 899 S CB -0.652 62.680 63.200 0.220 0.000 0.766 899 S HN 0.171 nan 8.310 nan 0.000 0.533 900 V N 0.724 120.674 119.914 0.060 0.000 3.212 900 V HA 0.224 4.345 4.120 0.001 0.000 0.244 900 V C 2.336 178.446 176.094 0.027 0.000 1.151 900 V CA 0.759 63.104 62.300 0.075 0.000 1.119 900 V CB -0.509 31.387 31.823 0.122 0.000 0.838 900 V HN 0.408 nan 8.190 nan 0.000 0.470 901 M N -0.095 119.509 119.600 0.008 0.000 2.288 901 M HA 0.037 4.518 4.480 0.001 0.000 0.266 901 M C 1.867 178.151 176.300 -0.026 0.000 1.072 901 M CA 1.579 56.887 55.300 0.013 0.000 1.132 901 M CB -0.284 32.346 32.600 0.050 0.000 1.386 901 M HN 0.241 nan 8.290 nan 0.000 0.432 902 L N -0.225 120.889 121.223 -0.183 0.000 2.633 902 L HA -0.092 4.249 4.340 0.001 0.000 0.235 902 L C 2.028 178.786 176.870 -0.186 0.000 1.163 902 L CA 0.041 54.670 54.840 -0.351 0.000 0.859 902 L CB -0.496 40.885 42.059 -1.131 0.000 0.973 902 L HN 0.121 nan 8.230 nan 0.000 0.451 903 V N -1.166 118.734 119.914 -0.023 0.000 2.951 903 V HA -0.141 3.979 4.120 0.001 0.000 0.255 903 V C 2.283 178.468 176.094 0.151 0.000 1.088 903 V CA 0.617 63.018 62.300 0.169 0.000 1.109 903 V CB 0.729 32.655 31.823 0.173 0.000 0.724 903 V HN 0.174 nan 8.190 nan 0.000 0.471 904 V N 1.055 121.028 119.914 0.098 0.000 2.222 904 V HA -0.255 3.866 4.120 0.001 0.000 0.252 904 V C 0.210 176.363 176.094 0.097 0.000 1.060 904 V CA 3.063 65.411 62.300 0.080 0.000 1.027 904 V CB -1.757 30.098 31.823 0.054 0.000 0.644 904 V HN 0.507 nan 8.190 nan 0.000 0.448 905 P HA -0.177 nan 4.420 nan 0.000 0.216 905 P C 1.920 179.262 177.300 0.069 0.000 1.153 905 P CA 1.544 64.691 63.100 0.078 0.000 0.858 905 P CB -0.166 31.566 31.700 0.052 0.000 0.789 906 L N -1.332 119.967 121.223 0.127 0.000 2.034 906 L HA -0.223 4.117 4.340 0.001 0.000 0.217 906 L C 2.505 179.418 176.870 0.073 0.000 1.077 906 L CA 2.304 57.202 54.840 0.096 0.000 0.769 906 L CB -1.818 40.338 42.059 0.162 0.000 0.890 906 L HN 0.147 nan 8.230 nan 0.000 0.435 907 G N -1.251 107.599 108.800 0.084 0.000 2.623 907 G HA2 0.058 4.019 3.960 0.001 0.000 0.214 907 G HA3 0.058 4.019 3.960 0.001 0.000 0.214 907 G C 1.544 176.476 174.900 0.053 0.000 1.138 907 G CA 0.466 45.610 45.100 0.074 0.000 0.794 907 G HN 0.195 nan 8.290 nan 0.000 0.535 908 V N 2.628 122.568 119.914 0.043 0.000 2.244 908 V HA -0.200 3.921 4.120 0.001 0.000 0.244 908 V C 2.865 178.961 176.094 0.002 0.000 1.042 908 V CA 1.775 64.092 62.300 0.028 0.000 1.006 908 V CB -0.836 31.011 31.823 0.039 0.000 0.641 908 V HN 0.577 nan 8.190 nan 0.000 0.446 909 I N 0.714 121.269 120.570 -0.025 0.000 2.185 909 I HA -0.176 3.995 4.170 0.001 0.000 0.246 909 I C 2.477 178.597 176.117 0.006 0.000 1.088 909 I CA 2.260 63.538 61.300 -0.038 0.000 1.347 909 I CB -1.557 36.420 38.000 -0.039 0.000 1.041 909 I HN 0.282 nan 8.210 nan 0.000 0.415 910 G N 0.750 109.568 108.800 0.029 0.000 2.469 910 G HA2 -0.239 3.721 3.960 0.001 0.000 0.219 910 G HA3 -0.239 3.721 3.960 0.001 0.000 0.219 910 G C 1.807 176.750 174.900 0.071 0.000 1.150 910 G CA 1.352 46.481 45.100 0.049 0.000 0.763 910 G HN 0.646 nan 8.290 nan 0.000 0.561 911 A N 0.525 123.402 122.820 0.095 0.000 1.855 911 A HA 0.127 4.447 4.320 0.001 0.000 0.215 911 A C 2.470 180.211 177.584 0.262 0.000 1.191 911 A CA 1.318 53.465 52.037 0.185 0.000 0.613 911 A CB -0.488 18.607 19.000 0.158 0.000 0.829 911 A HN 0.344 nan 8.150 nan 0.000 0.442 912 L N -0.443 120.893 121.223 0.188 0.000 1.956 912 L HA -0.266 4.075 4.340 0.001 0.000 0.216 912 L C 2.675 179.546 176.870 0.002 0.000 1.073 912 L CA 1.630 56.504 54.840 0.056 0.000 0.762 912 L CB -0.884 41.104 42.059 -0.118 0.000 0.889 912 L HN 0.407 nan 8.230 nan 0.000 0.433 913 L N -0.298 120.931 121.223 0.010 0.000 1.965 913 L HA -0.327 4.013 4.340 0.001 0.000 0.226 913 L C 2.921 179.802 176.870 0.017 0.000 1.083 913 L CA 1.659 56.507 54.840 0.013 0.000 0.790 913 L CB -0.995 41.077 42.059 0.022 0.000 0.898 913 L HN 0.343 nan 8.230 nan 0.000 0.439 914 A N -0.846 121.996 122.820 0.038 0.000 1.940 914 A HA -0.293 4.027 4.320 0.001 0.000 0.221 914 A C 2.326 179.925 177.584 0.025 0.000 1.190 914 A CA 2.784 54.844 52.037 0.038 0.000 0.647 914 A CB -1.136 17.898 19.000 0.057 0.000 0.821 914 A HN 0.505 nan 8.150 nan 0.000 0.457 915 T N -0.491 114.076 114.554 0.022 0.000 2.777 915 T HA -0.072 4.279 4.350 0.001 0.000 0.266 915 T C 2.266 176.917 174.700 -0.082 0.000 1.040 915 T CA 1.693 63.764 62.100 -0.048 0.000 1.141 915 T CB -0.226 68.522 68.868 -0.199 0.000 0.868 915 T HN 0.552 nan 8.240 nan 0.000 0.444 916 S N 1.133 116.789 115.700 -0.073 0.000 2.377 916 S HA 0.083 4.554 4.470 0.001 0.000 0.223 916 S C 2.098 176.683 174.600 -0.025 0.000 1.030 916 S CA 0.673 58.838 58.200 -0.059 0.000 0.970 916 S CB -0.216 62.953 63.200 -0.051 0.000 0.830 916 S HN 0.358 nan 8.310 nan 0.000 0.473 917 M N 0.888 120.482 119.600 -0.009 0.000 2.346 917 M HA -0.033 4.448 4.480 0.001 0.000 0.263 917 M C 1.946 178.247 176.300 0.003 0.000 1.064 917 M CA 1.266 56.568 55.300 0.003 0.000 1.083 917 M CB -0.719 31.888 32.600 0.011 0.000 1.399 917 M HN 0.125 nan 8.290 nan 0.000 0.435 918 R N -0.061 120.438 120.500 -0.002 0.000 2.362 918 R HA 0.215 4.555 4.340 0.001 0.000 0.227 918 R C 0.775 177.072 176.300 -0.005 0.000 0.905 918 R CA 0.724 56.827 56.100 0.005 0.000 1.067 918 R CB -0.002 30.306 30.300 0.013 0.000 1.078 918 R HN 0.422 nan 8.270 nan 0.000 0.516 919 G N 1.095 109.882 108.800 -0.022 0.000 2.273 919 G HA2 -0.272 3.689 3.960 0.001 0.000 0.280 919 G HA3 -0.272 3.689 3.960 0.001 0.000 0.280 919 G C -0.157 174.711 174.900 -0.054 0.000 1.047 919 G CA 0.779 45.858 45.100 -0.036 0.000 0.869 919 G HN 0.249 nan 8.290 nan 0.000 0.502 920 L N -0.778 120.404 121.223 -0.068 0.000 2.805 920 L HA 0.861 5.202 4.340 0.001 0.000 0.242 920 L C 1.174 177.963 176.870 -0.134 0.000 1.180 920 L CA -0.314 54.474 54.840 -0.086 0.000 1.001 920 L CB 1.225 43.246 42.059 -0.062 0.000 1.864 920 L HN 0.460 nan 8.230 nan 0.000 0.551 921 S N -2.605 113.002 115.700 -0.155 0.000 2.903 921 S HA 0.255 4.726 4.470 0.001 0.000 0.314 921 S C -0.477 173.968 174.600 -0.258 0.000 1.177 921 S CA -0.832 57.261 58.200 -0.179 0.000 0.859 921 S CB 1.027 64.178 63.200 -0.082 0.000 1.265 921 S HN 0.472 nan 8.310 nan 0.000 0.584 922 N N 1.745 120.364 118.700 -0.134 0.000 3.115 922 N HA 0.126 4.867 4.740 0.001 0.000 0.305 922 N C -0.953 174.646 175.510 0.149 0.000 1.305 922 N CA -0.103 52.960 53.050 0.021 0.000 1.154 922 N CB -0.315 38.242 38.487 0.116 0.000 1.454 922 N HN 0.376 nan 8.380 nan 0.000 0.551 923 D N -0.123 120.355 120.400 0.131 0.000 2.449 923 D HA -0.079 4.562 4.640 0.001 0.000 0.236 923 D C 1.524 177.948 176.300 0.206 0.000 1.149 923 D CA -0.009 54.077 54.000 0.143 0.000 0.878 923 D CB 1.316 42.203 40.800 0.146 0.000 1.198 923 D HN -0.057 nan 8.370 nan 0.000 0.446 924 V N 1.482 121.443 119.914 0.078 0.000 2.469 924 V HA -0.272 3.848 4.120 0.001 0.000 0.251 924 V C 1.955 178.041 176.094 -0.013 0.000 1.064 924 V CA 1.451 63.766 62.300 0.024 0.000 1.066 924 V CB -0.540 31.165 31.823 -0.197 0.000 0.667 924 V HN 0.459 nan 8.190 nan 0.000 0.461 925 F N -0.726 119.169 119.950 -0.092 0.000 2.171 925 F HA -0.129 4.399 4.527 0.001 0.000 0.300 925 F C 2.070 177.847 175.800 -0.038 0.000 1.090 925 F CA 1.889 59.803 58.000 -0.143 0.000 1.293 925 F CB -0.677 38.263 39.000 -0.099 0.000 1.013 925 F HN 0.239 nan 8.300 nan 0.000 0.486 926 F N 0.761 120.784 119.950 0.120 0.000 2.128 926 F HA -0.152 4.375 4.527 0.001 0.000 0.295 926 F C 2.556 178.399 175.800 0.072 0.000 1.100 926 F CA 1.360 59.413 58.000 0.088 0.000 1.260 926 F CB -0.712 38.343 39.000 0.092 0.000 1.009 926 F HN -0.114 nan 8.300 nan 0.000 0.476 927 Q N 0.746 120.614 119.800 0.114 0.000 2.077 927 Q HA -0.172 4.169 4.340 0.001 0.000 0.206 927 Q C 2.079 178.014 176.000 -0.108 0.000 0.989 927 Q CA 2.595 58.407 55.803 0.015 0.000 0.853 927 Q CB -0.841 28.030 28.738 0.221 0.000 0.907 927 Q HN 0.409 nan 8.270 nan 0.000 0.418 928 V N -0.675 119.158 119.914 -0.135 0.000 2.346 928 V HA -0.098 4.022 4.120 0.001 0.000 0.244 928 V C 2.100 178.100 176.094 -0.157 0.000 1.037 928 V CA 1.720 63.902 62.300 -0.198 0.000 1.029 928 V CB -1.039 30.460 31.823 -0.540 0.000 0.663 928 V HN 0.582 nan 8.190 nan 0.000 0.454 929 G N -0.582 108.111 108.800 -0.179 0.000 2.479 929 G HA2 -0.256 3.705 3.960 0.001 0.000 0.220 929 G HA3 -0.256 3.705 3.960 0.001 0.000 0.220 929 G C 1.610 176.450 174.900 -0.100 0.000 1.115 929 G CA 1.001 46.049 45.100 -0.086 0.000 0.757 929 G HN 0.487 nan 8.290 nan 0.000 0.560 930 L N -0.408 120.672 121.223 -0.238 0.000 2.240 930 L HA 0.229 4.570 4.340 0.001 0.000 0.211 930 L C 2.567 179.402 176.870 -0.060 0.000 1.106 930 L CA 0.570 55.265 54.840 -0.241 0.000 0.793 930 L CB -0.014 41.771 42.059 -0.456 0.000 0.927 930 L HN 0.189 nan 8.230 nan 0.000 0.446 931 L N -1.343 119.888 121.223 0.014 0.000 2.095 931 L HA -0.131 4.210 4.340 0.001 0.000 0.204 931 L C 2.485 179.514 176.870 0.264 0.000 1.080 931 L CA 1.320 56.232 54.840 0.119 0.000 0.759 931 L CB -0.686 41.516 42.059 0.238 0.000 0.914 931 L HN 0.165 nan 8.230 nan 0.000 0.439 932 T N -1.692 113.054 114.554 0.320 0.000 2.977 932 T HA -0.187 4.163 4.350 0.001 0.000 0.271 932 T C 1.817 176.644 174.700 0.211 0.000 1.105 932 T CA 1.834 64.124 62.100 0.317 0.000 1.116 932 T CB -0.043 68.910 68.868 0.142 0.000 0.878 932 T HN 0.266 nan 8.240 nan 0.000 0.509 933 T N 0.829 115.468 114.554 0.142 0.000 3.033 933 T HA 0.213 4.564 4.350 0.001 0.000 0.248 933 T C 1.615 176.366 174.700 0.086 0.000 1.040 933 T CA 0.487 62.662 62.100 0.126 0.000 1.133 933 T CB -0.177 68.751 68.868 0.100 0.000 0.895 933 T HN 0.621 nan 8.240 nan 0.000 0.465 934 I N -0.546 120.054 120.570 0.051 0.000 3.550 934 I HA 0.316 4.487 4.170 0.001 0.000 0.295 934 I C 1.742 177.852 176.117 -0.011 0.000 1.291 934 I CA 0.318 61.632 61.300 0.022 0.000 1.298 934 I CB -0.452 37.550 38.000 0.003 0.000 1.026 934 I HN 0.163 nan 8.210 nan 0.000 0.491 935 G N 1.732 110.541 108.800 0.016 0.000 2.518 935 G HA2 -0.023 3.937 3.960 0.001 0.000 0.213 935 G HA3 -0.023 3.937 3.960 0.001 0.000 0.213 935 G C 1.402 176.313 174.900 0.019 0.000 1.226 935 G CA 0.345 45.445 45.100 -0.000 0.000 0.822 935 G HN 0.347 nan 8.290 nan 0.000 0.546 936 L N 0.751 121.998 121.223 0.040 0.000 2.021 936 L HA -0.190 4.150 4.340 0.001 0.000 0.215 936 L C 3.135 180.023 176.870 0.031 0.000 1.074 936 L CA 1.711 56.562 54.840 0.019 0.000 0.760 936 L CB -0.459 41.610 42.059 0.017 0.000 0.889 936 L HN 0.384 nan 8.230 nan 0.000 0.433 937 S N -0.703 115.028 115.700 0.052 0.000 2.374 937 S HA -0.252 4.219 4.470 0.001 0.000 0.227 937 S C 2.037 176.671 174.600 0.056 0.000 1.037 937 S CA 1.481 59.719 58.200 0.064 0.000 1.024 937 S CB -0.102 63.145 63.200 0.077 0.000 0.861 937 S HN 0.492 nan 8.310 nan 0.000 0.456 938 A N 1.224 124.065 122.820 0.035 0.000 1.873 938 A HA -0.072 4.248 4.320 0.001 0.000 0.215 938 A C 2.141 179.741 177.584 0.027 0.000 1.186 938 A CA 1.818 53.871 52.037 0.026 0.000 0.616 938 A CB -0.781 18.213 19.000 -0.010 0.000 0.823 938 A HN 0.619 nan 8.150 nan 0.000 0.442 939 K N -0.412 119.995 120.400 0.011 0.000 2.020 939 K HA -0.249 4.072 4.320 0.001 0.000 0.212 939 K C 1.863 178.475 176.600 0.021 0.000 1.050 939 K CA 1.794 58.085 56.287 0.007 0.000 0.929 939 K CB -0.278 32.218 32.500 -0.007 0.000 0.714 939 K HN 0.420 nan 8.250 nan 0.000 0.443 940 N N 0.684 119.396 118.700 0.019 0.000 2.037 940 N HA -0.216 4.524 4.740 0.001 0.000 0.196 940 N C 1.677 177.210 175.510 0.038 0.000 1.034 940 N CA 1.809 54.869 53.050 0.017 0.000 0.861 940 N CB -0.632 37.866 38.487 0.018 0.000 1.039 940 N HN 0.347 nan 8.380 nan 0.000 0.427 941 A N 1.570 124.429 122.820 0.065 0.000 1.902 941 A HA -0.093 4.227 4.320 0.001 0.000 0.217 941 A C 2.222 179.866 177.584 0.100 0.000 1.181 941 A CA 1.332 53.422 52.037 0.090 0.000 0.623 941 A CB -0.714 18.358 19.000 0.119 0.000 0.818 941 A HN 0.395 nan 8.150 nan 0.000 0.443 942 I N -1.634 119.000 120.570 0.107 0.000 2.226 942 I HA -0.208 3.963 4.170 0.001 0.000 0.245 942 I C 2.311 178.530 176.117 0.170 0.000 1.100 942 I CA 1.309 62.708 61.300 0.164 0.000 1.374 942 I CB -0.932 37.119 38.000 0.085 0.000 1.057 942 I HN 0.201 nan 8.210 nan 0.000 0.413 943 L N 1.356 122.653 121.223 0.123 0.000 2.141 943 L HA -0.127 4.213 4.340 0.001 0.000 0.209 943 L C 2.781 179.789 176.870 0.231 0.000 1.094 943 L CA 1.326 56.279 54.840 0.188 0.000 0.763 943 L CB -0.284 41.858 42.059 0.139 0.000 0.908 943 L HN 0.423 nan 8.230 nan 0.000 0.437 944 I N -3.489 117.137 120.570 0.094 0.000 2.584 944 I HA -0.098 4.073 4.170 0.001 0.000 0.255 944 I C 2.133 178.237 176.117 -0.022 0.000 1.145 944 I CA 0.806 62.126 61.300 0.032 0.000 1.462 944 I CB -0.082 37.906 38.000 -0.021 0.000 1.102 944 I HN -0.119 nan 8.210 nan 0.000 0.433 945 V N 1.628 121.509 119.914 -0.055 0.000 2.548 945 V HA -0.146 3.975 4.120 0.001 0.000 0.249 945 V C 2.704 178.680 176.094 -0.196 0.000 1.055 945 V CA 1.640 63.765 62.300 -0.291 0.000 1.065 945 V CB -0.775 30.868 31.823 -0.299 0.000 0.681 945 V HN 0.434 nan 8.190 nan 0.000 0.462 946 E N 0.456 120.727 120.200 0.119 0.000 2.005 946 E HA -0.223 4.128 4.350 0.001 0.000 0.198 946 E C 2.064 178.680 176.600 0.025 0.000 1.010 946 E CA 1.823 58.324 56.400 0.169 0.000 0.825 946 E CB -0.482 29.306 29.700 0.147 0.000 0.769 946 E HN 0.529 nan 8.360 nan 0.000 0.456 947 F N 0.956 120.874 119.950 -0.052 0.000 2.154 947 F HA -0.242 4.286 4.527 0.001 0.000 0.301 947 F C 2.414 178.155 175.800 -0.098 0.000 1.087 947 F CA 1.270 59.234 58.000 -0.060 0.000 1.274 947 F CB -0.758 38.211 39.000 -0.052 0.000 1.009 947 F HN 0.101 nan 8.300 nan 0.000 0.485 948 A N 0.574 123.378 122.820 -0.027 0.000 1.865 948 A HA -0.279 4.042 4.320 0.001 0.000 0.217 948 A C 2.225 179.736 177.584 -0.122 0.000 1.191 948 A CA 2.206 54.123 52.037 -0.200 0.000 0.623 948 A CB -0.842 17.744 19.000 -0.691 0.000 0.826 948 A HN 0.485 nan 8.150 nan 0.000 0.444 949 K N -0.219 120.075 120.400 -0.177 0.000 2.288 949 K HA -0.064 4.257 4.320 0.001 0.000 0.201 949 K C 1.527 178.169 176.600 0.069 0.000 1.048 949 K CA 1.409 57.708 56.287 0.020 0.000 0.956 949 K CB -0.212 32.288 32.500 -0.001 0.000 0.746 949 K HN 0.562 nan 8.250 nan 0.000 0.461 950 E N 1.107 121.308 120.200 0.002 0.000 2.077 950 E HA -0.147 4.203 4.350 0.001 0.000 0.193 950 E C 2.041 178.652 176.600 0.019 0.000 0.989 950 E CA 1.374 57.761 56.400 -0.021 0.000 0.800 950 E CB -0.110 29.517 29.700 -0.122 0.000 0.746 950 E HN 0.360 nan 8.360 nan 0.000 0.452 951 L N -0.227 121.026 121.223 0.051 0.000 2.023 951 L HA -0.146 4.194 4.340 0.001 0.000 0.205 951 L C 2.600 179.518 176.870 0.080 0.000 1.073 951 L CA 1.301 56.178 54.840 0.061 0.000 0.745 951 L CB -0.609 41.495 42.059 0.074 0.000 0.900 951 L HN 0.208 nan 8.230 nan 0.000 0.435 952 H N 0.071 119.166 119.070 0.042 0.000 2.492 952 H HA -0.214 4.343 4.556 0.001 0.000 0.296 952 H C 2.115 177.460 175.328 0.028 0.000 1.095 952 H CA 1.804 57.884 56.048 0.052 0.000 1.281 952 H CB 0.199 30.025 29.762 0.107 0.000 1.374 952 H HN 0.351 nan 8.280 nan 0.000 0.545 953 E N -0.235 120.009 120.200 0.073 0.000 2.075 953 E HA -0.086 4.264 4.350 0.001 0.000 0.190 953 E C 1.834 178.414 176.600 -0.034 0.000 0.969 953 E CA 0.410 56.821 56.400 0.019 0.000 0.815 953 E CB 0.185 29.913 29.700 0.046 0.000 0.776 953 E HN 0.615 nan 8.360 nan 0.000 0.457 954 Q N -0.405 119.382 119.800 -0.022 0.000 2.576 954 Q HA -0.037 4.303 4.340 0.001 0.000 0.218 954 Q C 0.332 176.302 176.000 -0.050 0.000 0.983 954 Q CA 0.649 56.434 55.803 -0.030 0.000 0.920 954 Q CB 0.218 28.947 28.738 -0.016 0.000 0.973 954 Q HN 0.381 nan 8.270 nan 0.000 0.528 955 G N 1.088 109.834 108.800 -0.090 0.000 2.325 955 G HA2 -0.223 3.738 3.960 0.001 0.000 0.248 955 G HA3 -0.223 3.738 3.960 0.001 0.000 0.248 955 G C -0.493 174.343 174.900 -0.107 0.000 1.108 955 G CA -0.296 44.729 45.100 -0.125 0.000 0.881 955 G HN 0.167 nan 8.290 nan 0.000 0.494 956 K N -0.510 119.827 120.400 -0.105 0.000 2.258 956 K HA 0.703 5.023 4.320 0.001 0.000 0.236 956 K C 0.900 177.470 176.600 -0.050 0.000 1.008 956 K CA -0.405 55.851 56.287 -0.051 0.000 0.869 956 K CB 1.663 34.164 32.500 0.001 0.000 1.171 956 K HN 0.336 nan 8.250 nan 0.000 0.447 957 G N 1.085 109.890 108.800 0.009 0.000 2.503 957 G HA2 0.136 4.096 3.960 0.001 0.000 0.257 957 G HA3 0.136 4.096 3.960 0.001 0.000 0.257 957 G C 1.292 176.298 174.900 0.177 0.000 1.214 957 G CA -0.551 44.589 45.100 0.066 0.000 0.839 957 G HN 0.631 nan 8.290 nan 0.000 0.559 958 I N 1.650 122.373 120.570 0.255 0.000 2.087 958 I HA -0.232 3.938 4.170 0.001 0.000 0.240 958 I C 2.517 178.699 176.117 0.107 0.000 1.054 958 I CA 2.555 63.959 61.300 0.172 0.000 1.311 958 I CB -1.953 36.017 38.000 -0.050 0.000 1.024 958 I HN 0.330 nan 8.210 nan 0.000 0.402 959 V N 0.623 120.558 119.914 0.034 0.000 2.380 959 V HA -0.257 3.864 4.120 0.001 0.000 0.251 959 V C 2.692 178.785 176.094 -0.001 0.000 1.063 959 V CA 2.383 64.680 62.300 -0.005 0.000 1.055 959 V CB -1.515 30.284 31.823 -0.040 0.000 0.657 959 V HN 0.499 nan 8.190 nan 0.000 0.455 960 E N 1.442 121.651 120.200 0.016 0.000 2.051 960 E HA 0.017 4.368 4.350 0.001 0.000 0.189 960 E C 2.170 178.783 176.600 0.022 0.000 0.979 960 E CA 1.510 57.911 56.400 0.001 0.000 0.803 960 E CB -0.677 29.023 29.700 -0.001 0.000 0.761 960 E HN 0.525 nan 8.360 nan 0.000 0.451 961 A N 1.119 123.984 122.820 0.076 0.000 1.948 961 A HA -0.131 4.189 4.320 0.001 0.000 0.220 961 A C 2.408 180.033 177.584 0.068 0.000 1.177 961 A CA 2.267 54.363 52.037 0.098 0.000 0.636 961 A CB -1.109 18.006 19.000 0.192 0.000 0.815 961 A HN 0.394 nan 8.150 nan 0.000 0.449 962 A N 0.148 123.024 122.820 0.093 0.000 1.841 962 A HA -0.146 4.175 4.320 0.001 0.000 0.216 962 A C 2.225 179.789 177.584 -0.033 0.000 1.199 962 A CA 1.624 53.694 52.037 0.055 0.000 0.621 962 A CB -0.788 18.267 19.000 0.093 0.000 0.835 962 A HN 0.882 nan 8.150 nan 0.000 0.445 963 I N -0.929 119.600 120.570 -0.068 0.000 2.361 963 I HA -0.236 3.935 4.170 0.001 0.000 0.251 963 I C 2.178 178.231 176.117 -0.107 0.000 1.133 963 I CA 2.384 63.601 61.300 -0.138 0.000 1.413 963 I CB -0.208 37.696 38.000 -0.161 0.000 1.073 963 I HN 0.566 nan 8.210 nan 0.000 0.424 964 E N 0.842 121.007 120.200 -0.058 0.000 2.106 964 E HA -0.168 4.182 4.350 0.001 0.000 0.192 964 E C 2.192 178.777 176.600 -0.025 0.000 0.984 964 E CA 1.215 57.592 56.400 -0.038 0.000 0.806 964 E CB -0.102 29.593 29.700 -0.007 0.000 0.750 964 E HN 0.658 nan 8.360 nan 0.000 0.458 965 A N 0.387 123.198 122.820 -0.014 0.000 1.845 965 A HA -0.238 4.083 4.320 0.001 0.000 0.215 965 A C 2.490 180.034 177.584 -0.066 0.000 1.195 965 A CA 1.563 53.587 52.037 -0.021 0.000 0.616 965 A CB -1.135 17.858 19.000 -0.011 0.000 0.832 965 A HN 0.523 nan 8.150 nan 0.000 0.443 966 C N -0.844 118.436 119.300 -0.032 0.000 2.391 966 C HA -0.161 4.299 4.460 0.001 0.000 0.276 966 C C 2.850 177.927 174.990 0.145 0.000 1.217 966 C CA 1.367 60.428 59.018 0.073 0.000 1.766 966 C CB -1.389 26.368 27.740 0.028 0.000 2.046 966 C HN 0.629 nan 8.230 nan 0.000 0.475 967 R N 0.747 121.275 120.500 0.047 0.000 2.081 967 R HA -0.082 4.258 4.340 0.001 0.000 0.235 967 R C 2.100 178.391 176.300 -0.014 0.000 1.131 967 R CA 1.747 57.869 56.100 0.037 0.000 0.960 967 R CB -0.503 29.769 30.300 -0.046 0.000 0.856 967 R HN 0.566 nan 8.270 nan 0.000 0.436 968 M N -0.278 119.274 119.600 -0.079 0.000 2.229 968 M HA -0.103 4.377 4.480 0.001 0.000 0.264 968 M C 2.107 178.259 176.300 -0.246 0.000 1.063 968 M CA 1.374 56.577 55.300 -0.162 0.000 1.114 968 M CB -0.137 32.314 32.600 -0.248 0.000 1.387 968 M HN -0.033 nan 8.290 nan 0.000 0.420 969 R N 0.214 120.571 120.500 -0.239 0.000 2.156 969 R HA 0.151 4.492 4.340 0.001 0.000 0.207 969 R C 2.116 178.315 176.300 -0.168 0.000 1.040 969 R CA 0.405 56.353 56.100 -0.253 0.000 1.013 969 R CB -0.696 29.460 30.300 -0.239 0.000 0.931 969 R HN 0.396 nan 8.270 nan 0.000 0.465 970 L N 1.376 122.519 121.223 -0.134 0.000 1.991 970 L HA -0.319 4.021 4.340 0.001 0.000 0.221 970 L C 2.838 179.661 176.870 -0.077 0.000 1.079 970 L CA 1.924 56.657 54.840 -0.179 0.000 0.778 970 L CB -0.312 41.604 42.059 -0.238 0.000 0.893 970 L HN 0.128 nan 8.230 nan 0.000 0.437 971 R N -0.302 120.212 120.500 0.022 0.000 2.115 971 R HA -0.211 4.129 4.340 0.001 0.000 0.239 971 R C -0.284 175.849 176.300 -0.279 0.000 1.133 971 R CA 2.599 58.669 56.100 -0.049 0.000 0.935 971 R CB -1.649 28.633 30.300 -0.030 0.000 0.853 971 R HN 0.358 nan 8.270 nan 0.000 0.433 972 P HA -0.166 nan 4.420 nan 0.000 0.214 972 P C 1.581 178.767 177.300 -0.191 0.000 1.163 972 P CA 1.744 64.718 63.100 -0.209 0.000 0.889 972 P CB -0.422 31.180 31.700 -0.163 0.000 0.790 973 I N -2.670 117.806 120.570 -0.157 0.000 2.361 973 I HA -0.171 4.000 4.170 0.001 0.000 0.251 973 I C 1.810 177.860 176.117 -0.112 0.000 1.133 973 I CA 1.537 62.767 61.300 -0.116 0.000 1.413 973 I CB -0.744 37.194 38.000 -0.102 0.000 1.073 973 I HN -0.231 nan 8.210 nan 0.000 0.424 974 V N 2.706 122.529 119.914 -0.152 0.000 2.295 974 V HA -0.289 3.832 4.120 0.001 0.000 0.246 974 V C 2.762 178.740 176.094 -0.193 0.000 1.049 974 V CA 2.522 64.746 62.300 -0.126 0.000 1.024 974 V CB -0.657 31.127 31.823 -0.065 0.000 0.648 974 V HN 0.597 nan 8.190 nan 0.000 0.447 975 M N 0.294 119.658 119.600 -0.393 0.000 2.374 975 M HA -0.084 4.397 4.480 0.001 0.000 0.264 975 M C 2.128 178.369 176.300 -0.099 0.000 1.067 975 M CA 2.126 57.233 55.300 -0.323 0.000 1.103 975 M CB -1.308 31.014 32.600 -0.464 0.000 1.402 975 M HN 0.526 nan 8.290 nan 0.000 0.444 976 T N -1.623 112.886 114.554 -0.075 0.000 2.852 976 T HA 0.066 4.416 4.350 0.001 0.000 0.256 976 T C 1.992 176.743 174.700 0.086 0.000 1.038 976 T CA 1.351 63.446 62.100 -0.007 0.000 1.141 976 T CB -0.431 68.412 68.868 -0.042 0.000 0.869 976 T HN 0.366 nan 8.240 nan 0.000 0.439 977 S N 1.234 116.980 115.700 0.077 0.000 2.382 977 S HA 0.100 4.571 4.470 0.001 0.000 0.228 977 S C 1.878 176.565 174.600 0.145 0.000 1.027 977 S CA 1.087 59.371 58.200 0.140 0.000 0.991 977 S CB -0.639 62.618 63.200 0.096 0.000 0.823 977 S HN 0.448 nan 8.310 nan 0.000 0.469 978 L N 1.059 122.351 121.223 0.114 0.000 2.017 978 L HA -0.137 4.203 4.340 0.001 0.000 0.208 978 L C 2.555 179.512 176.870 0.145 0.000 1.073 978 L CA 1.461 56.383 54.840 0.136 0.000 0.745 978 L CB -0.587 41.573 42.059 0.169 0.000 0.894 978 L HN 0.359 nan 8.230 nan 0.000 0.432 979 A N -0.873 122.034 122.820 0.145 0.000 1.978 979 A HA -0.288 4.032 4.320 0.001 0.000 0.220 979 A C 2.132 179.856 177.584 0.233 0.000 1.170 979 A CA 1.853 53.988 52.037 0.163 0.000 0.636 979 A CB -0.834 18.243 19.000 0.130 0.000 0.810 979 A HN 0.596 nan 8.150 nan 0.000 0.448 980 F N 0.513 120.491 119.950 0.046 0.000 2.220 980 F HA 0.009 4.537 4.527 0.001 0.000 0.290 980 F C 2.148 177.979 175.800 0.051 0.000 1.080 980 F CA 0.892 58.920 58.000 0.046 0.000 1.318 980 F CB -0.041 38.981 39.000 0.038 0.000 1.063 980 F HN 0.299 nan 8.300 nan 0.000 0.498 981 I N -0.225 120.335 120.570 -0.017 0.000 2.208 981 I HA -0.308 3.862 4.170 0.001 0.000 0.245 981 I C 1.891 177.957 176.117 -0.085 0.000 1.097 981 I CA 1.715 62.943 61.300 -0.120 0.000 1.363 981 I CB -0.952 37.039 38.000 -0.015 0.000 1.051 981 I HN 0.163 nan 8.210 nan 0.000 0.413 982 L N 1.463 122.689 121.223 0.005 0.000 2.083 982 L HA -0.074 4.267 4.340 0.001 0.000 0.209 982 L C 2.893 179.770 176.870 0.013 0.000 1.083 982 L CA 1.548 56.402 54.840 0.023 0.000 0.752 982 L CB -1.329 40.769 42.059 0.065 0.000 0.899 982 L HN 0.482 nan 8.230 nan 0.000 0.433 983 G N -0.766 108.052 108.800 0.030 0.000 2.432 983 G HA2 -0.166 3.795 3.960 0.001 0.000 0.219 983 G HA3 -0.166 3.795 3.960 0.001 0.000 0.219 983 G C 1.537 176.427 174.900 -0.018 0.000 1.135 983 G CA 0.710 45.840 45.100 0.051 0.000 0.767 983 G HN 0.226 nan 8.290 nan 0.000 0.550 984 V N -0.203 119.629 119.914 -0.137 0.000 3.174 984 V HA 0.002 4.122 4.120 0.001 0.000 0.254 984 V C 2.783 178.822 176.094 -0.091 0.000 1.120 984 V CA 0.419 62.623 62.300 -0.159 0.000 1.114 984 V CB 0.661 32.264 31.823 -0.367 0.000 0.756 984 V HN 0.205 nan 8.190 nan 0.000 0.467 985 V N 1.070 120.937 119.914 -0.078 0.000 2.233 985 V HA -0.254 3.867 4.120 0.001 0.000 0.252 985 V C 0.169 176.239 176.094 -0.041 0.000 1.063 985 V CA 2.993 65.262 62.300 -0.053 0.000 1.032 985 V CB -1.718 30.088 31.823 -0.029 0.000 0.645 985 V HN 0.482 nan 8.190 nan 0.000 0.446 986 P HA -0.212 nan 4.420 nan 0.000 0.217 986 P C 1.901 179.196 177.300 -0.008 0.000 1.158 986 P CA 1.716 64.812 63.100 -0.007 0.000 0.887 986 P CB -0.116 31.590 31.700 0.009 0.000 0.792 987 L N -1.193 120.031 121.223 0.001 0.000 1.989 987 L HA -0.217 4.124 4.340 0.001 0.000 0.211 987 L C 2.492 179.328 176.870 -0.058 0.000 1.071 987 L CA 1.795 56.652 54.840 0.029 0.000 0.749 987 L CB -1.330 40.774 42.059 0.076 0.000 0.890 987 L HN -0.047 nan 8.230 nan 0.000 0.431 988 A N 0.451 123.208 122.820 -0.105 0.000 2.084 988 A HA -0.170 4.150 4.320 0.001 0.000 0.221 988 A C 1.801 179.160 177.584 -0.375 0.000 1.161 988 A CA 1.854 53.762 52.037 -0.215 0.000 0.653 988 A CB -0.796 18.130 19.000 -0.124 0.000 0.802 988 A HN 0.663 nan 8.150 nan 0.000 0.457 989 I N -2.403 118.035 120.570 -0.221 0.000 3.707 989 I HA 0.260 4.431 4.170 0.001 0.000 0.330 989 I C 0.275 176.375 176.117 -0.030 0.000 1.572 989 I CA -0.200 61.009 61.300 -0.152 0.000 1.104 989 I CB 0.137 38.101 38.000 -0.060 0.000 1.240 989 I HN 0.135 nan 8.210 nan 0.000 0.475 990 S N 0.461 116.174 115.700 0.021 0.000 2.592 990 S HA 0.508 4.979 4.470 0.001 0.000 0.271 990 S C 0.184 174.947 174.600 0.271 0.000 1.326 990 S CA -0.302 57.989 58.200 0.151 0.000 1.024 990 S CB 1.725 65.015 63.200 0.151 0.000 0.921 990 S HN 0.360 nan 8.310 nan 0.000 0.527 991 T N 0.881 115.510 114.554 0.126 0.000 2.921 991 T HA 0.667 5.017 4.350 0.001 0.000 0.297 991 T C 0.252 174.965 174.700 0.021 0.000 1.013 991 T CA 0.675 62.830 62.100 0.091 0.000 0.990 991 T CB 0.457 69.382 68.868 0.094 0.000 1.023 991 T HN 1.871 nan 8.240 nan 0.000 0.447 992 G N 2.802 111.591 108.800 -0.018 0.000 2.358 992 G HA2 0.349 4.310 3.960 0.001 0.000 0.198 992 G HA3 0.349 4.310 3.960 0.001 0.000 0.198 992 G C 0.027 174.594 174.900 -0.554 0.000 1.220 992 G CA -0.126 44.917 45.100 -0.095 0.000 1.187 992 G HN 1.493 nan 8.290 nan 0.000 0.544 993 A N 0.401 122.649 122.820 -0.953 0.000 2.515 993 A HA 0.584 4.905 4.320 0.001 0.000 0.263 993 A C 2.055 179.210 177.584 -0.714 0.000 1.096 993 A CA 2.181 53.304 52.037 -1.524 0.000 0.769 993 A CB -0.680 17.665 19.000 -1.092 0.000 1.040 993 A HN 2.877 nan 8.150 nan 0.000 0.505 994 G N 2.149 110.556 108.800 -0.655 0.000 2.196 994 G HA2 -0.344 3.617 3.960 0.001 0.000 0.268 994 G HA3 -0.344 3.617 3.960 0.001 0.000 0.268 994 G C 1.470 176.286 174.900 -0.141 0.000 0.975 994 G CA 1.433 46.388 45.100 -0.242 0.000 0.648 994 G HN 2.095 nan 8.290 nan 0.000 0.538 995 S N -0.169 115.413 115.700 -0.197 0.000 2.392 995 S HA -0.058 4.412 4.470 0.001 0.000 0.232 995 S C 2.540 177.039 174.600 -0.169 0.000 1.041 995 S CA 1.837 59.985 58.200 -0.087 0.000 1.026 995 S CB -1.048 62.085 63.200 -0.111 0.000 0.845 995 S HN 1.703 nan 8.310 nan 0.000 0.465 996 G N 0.754 109.399 108.800 -0.258 0.000 2.450 996 G HA2 -0.121 3.839 3.960 0.001 0.000 0.220 996 G HA3 -0.121 3.839 3.960 0.001 0.000 0.220 996 G C 1.545 176.306 174.900 -0.232 0.000 1.130 996 G CA 1.033 45.962 45.100 -0.286 0.000 0.760 996 G HN 0.617 nan 8.290 nan 0.000 0.557 997 S N 0.105 115.632 115.700 -0.287 0.000 2.421 997 S HA -0.016 4.455 4.470 0.001 0.000 0.224 997 S C 2.263 176.684 174.600 -0.299 0.000 1.035 997 S CA 0.533 58.365 58.200 -0.614 0.000 0.953 997 S CB -0.064 62.471 63.200 -1.109 0.000 0.810 997 S HN 0.525 nan 8.310 nan 0.000 0.497 998 Q N 0.433 120.268 119.800 0.060 0.000 2.364 998 Q HA -0.105 4.235 4.340 0.001 0.000 0.209 998 Q C 1.473 177.629 176.000 0.259 0.000 0.977 998 Q CA 1.019 57.012 55.803 0.318 0.000 0.885 998 Q CB -0.243 28.698 28.738 0.338 0.000 0.941 998 Q HN 0.704 nan 8.270 nan 0.000 0.464 999 H N -0.248 118.825 119.070 0.005 0.000 2.415 999 H HA 0.083 4.640 4.556 0.001 0.000 0.297 999 H C 2.153 177.493 175.328 0.021 0.000 1.048 999 H CA 0.542 56.596 56.048 0.009 0.000 1.365 999 H CB 0.294 30.046 29.762 -0.016 0.000 1.421 999 H HN 0.298 nan 8.280 nan 0.000 0.533 1000 A N 1.713 124.599 122.820 0.110 0.000 1.978 1000 A HA -0.137 4.183 4.320 0.001 0.000 0.220 1000 A C 2.422 180.128 177.584 0.203 0.000 1.170 1000 A CA 1.581 53.684 52.037 0.110 0.000 0.636 1000 A CB -0.682 18.320 19.000 0.004 0.000 0.810 1000 A HN 0.521 nan 8.150 nan 0.000 0.448 1001 I N -3.358 117.338 120.570 0.210 0.000 2.364 1001 I HA 0.170 4.340 4.170 0.001 0.000 0.241 1001 I C 2.370 178.572 176.117 0.142 0.000 1.082 1001 I CA 1.144 62.575 61.300 0.220 0.000 1.401 1001 I CB -1.278 36.907 38.000 0.307 0.000 1.126 1001 I HN 0.115 nan 8.210 nan 0.000 0.429 1002 G N 1.266 110.131 108.800 0.109 0.000 2.446 1002 G HA2 -0.234 3.727 3.960 0.001 0.000 0.217 1002 G HA3 -0.234 3.727 3.960 0.001 0.000 0.217 1002 G C 1.577 176.484 174.900 0.011 0.000 1.168 1002 G CA 1.750 46.864 45.100 0.024 0.000 0.771 1002 G HN 0.423 nan 8.290 nan 0.000 0.551 1003 T N 0.825 115.398 114.554 0.032 0.000 2.635 1003 T HA -0.116 4.234 4.350 0.001 0.000 0.267 1003 T C 2.431 177.179 174.700 0.081 0.000 1.040 1003 T CA 1.810 63.933 62.100 0.038 0.000 1.156 1003 T CB -0.607 68.293 68.868 0.053 0.000 0.863 1003 T HN 0.387 nan 8.240 nan 0.000 0.430 1004 G N 0.178 109.069 108.800 0.151 0.000 2.464 1004 G HA2 -0.017 3.943 3.960 0.001 0.000 0.217 1004 G HA3 -0.017 3.943 3.960 0.001 0.000 0.217 1004 G C 1.677 176.638 174.900 0.101 0.000 1.138 1004 G CA 0.368 45.588 45.100 0.200 0.000 0.793 1004 G HN 0.409 nan 8.290 nan 0.000 0.539 1005 V N 2.438 122.388 119.914 0.060 0.000 2.223 1005 V HA -0.214 3.907 4.120 0.001 0.000 0.244 1005 V C 2.860 178.949 176.094 -0.008 0.000 1.045 1005 V CA 1.983 64.294 62.300 0.018 0.000 1.000 1005 V CB -0.608 31.186 31.823 -0.047 0.000 0.635 1005 V HN 0.605 nan 8.190 nan 0.000 0.445 1006 I N -0.278 120.266 120.570 -0.044 0.000 2.208 1006 I HA -0.117 4.054 4.170 0.001 0.000 0.245 1006 I C 2.380 178.508 176.117 0.019 0.000 1.097 1006 I CA 2.204 63.483 61.300 -0.035 0.000 1.363 1006 I CB -1.353 36.623 38.000 -0.041 0.000 1.051 1006 I HN 0.270 nan 8.210 nan 0.000 0.413 1007 G N 0.989 109.812 108.800 0.038 0.000 2.440 1007 G HA2 -0.156 3.805 3.960 0.001 0.000 0.218 1007 G HA3 -0.156 3.805 3.960 0.001 0.000 0.218 1007 G C 1.626 176.564 174.900 0.064 0.000 1.154 1007 G CA 0.894 46.028 45.100 0.057 0.000 0.767 1007 G HN 0.568 nan 8.290 nan 0.000 0.552 1008 G N 0.163 109.004 108.800 0.068 0.000 2.394 1008 G HA2 -0.094 3.866 3.960 0.001 0.000 0.215 1008 G HA3 -0.094 3.866 3.960 0.001 0.000 0.215 1008 G C 1.836 176.788 174.900 0.086 0.000 1.165 1008 G CA 1.023 46.167 45.100 0.073 0.000 0.784 1008 G HN 0.216 nan 8.290 nan 0.000 0.535 1009 M N 0.493 120.148 119.600 0.092 0.000 2.084 1009 M HA -0.042 4.439 4.480 0.001 0.000 0.259 1009 M C 2.853 179.211 176.300 0.097 0.000 1.072 1009 M CA 0.850 56.219 55.300 0.115 0.000 1.107 1009 M CB -1.387 31.287 32.600 0.124 0.000 1.299 1009 M HN 0.090 nan 8.290 nan 0.000 0.413 1010 V N -0.053 119.908 119.914 0.079 0.000 2.233 1010 V HA -0.356 3.765 4.120 0.001 0.000 0.252 1010 V C 2.523 178.673 176.094 0.094 0.000 1.063 1010 V CA 2.628 64.977 62.300 0.082 0.000 1.032 1010 V CB -1.165 30.699 31.823 0.068 0.000 0.645 1010 V HN 0.564 nan 8.190 nan 0.000 0.446 1011 T N -1.222 113.384 114.554 0.087 0.000 2.915 1011 T HA -0.088 4.262 4.350 0.001 0.000 0.269 1011 T C 1.713 176.478 174.700 0.108 0.000 1.071 1011 T CA 1.540 63.695 62.100 0.091 0.000 1.132 1011 T CB -0.168 68.741 68.868 0.068 0.000 0.878 1011 T HN 0.569 nan 8.240 nan 0.000 0.479 1012 A N -0.049 122.835 122.820 0.106 0.000 1.984 1012 A HA 0.113 4.434 4.320 0.001 0.000 0.214 1012 A C 2.462 180.119 177.584 0.121 0.000 1.173 1012 A CA 1.530 53.637 52.037 0.116 0.000 0.673 1012 A CB -0.724 18.339 19.000 0.106 0.000 0.830 1012 A HN 0.498 nan 8.150 nan 0.000 0.453 1013 T N -0.002 114.615 114.554 0.106 0.000 2.614 1013 T HA -0.130 4.221 4.350 0.001 0.000 0.263 1013 T C 1.916 176.669 174.700 0.089 0.000 1.055 1013 T CA 1.715 63.863 62.100 0.079 0.000 1.162 1013 T CB -0.665 68.245 68.868 0.070 0.000 0.863 1013 T HN 0.086 nan 8.240 nan 0.000 0.414 1014 V N 1.432 121.423 119.914 0.129 0.000 2.231 1014 V HA -0.183 3.938 4.120 0.001 0.000 0.250 1014 V C 2.543 178.836 176.094 0.331 0.000 1.058 1014 V CA 1.721 64.145 62.300 0.207 0.000 1.022 1014 V CB -0.712 31.247 31.823 0.228 0.000 0.640 1014 V HN 0.295 nan 8.190 nan 0.000 0.445 1015 L N -0.127 121.290 121.223 0.323 0.000 2.156 1015 L HA -0.007 4.334 4.340 0.001 0.000 0.208 1015 L C 2.519 179.687 176.870 0.498 0.000 1.095 1015 L CA 2.016 57.130 54.840 0.456 0.000 0.770 1015 L CB -1.358 40.833 42.059 0.220 0.000 0.914 1015 L HN 0.299 nan 8.230 nan 0.000 0.439 1016 A N 0.457 123.453 122.820 0.294 0.000 1.877 1016 A HA -0.203 4.117 4.320 0.001 0.000 0.216 1016 A C 2.205 179.918 177.584 0.215 0.000 1.186 1016 A CA 1.913 54.106 52.037 0.260 0.000 0.620 1016 A CB -0.889 18.210 19.000 0.165 0.000 0.822 1016 A HN 0.515 nan 8.150 nan 0.000 0.443 1017 I N -4.402 116.217 120.570 0.081 0.000 2.423 1017 I HA -0.189 3.981 4.170 0.001 0.000 0.254 1017 I C 2.155 178.243 176.117 -0.049 0.000 1.151 1017 I CA 1.725 62.991 61.300 -0.056 0.000 1.421 1017 I CB -0.535 37.230 38.000 -0.392 0.000 1.079 1017 I HN 0.216 nan 8.210 nan 0.000 0.431 1018 F N 0.043 120.116 119.950 0.204 0.000 2.262 1018 F HA 0.081 4.609 4.527 0.001 0.000 0.292 1018 F C 1.889 177.497 175.800 -0.320 0.000 1.081 1018 F CA 0.753 58.705 58.000 -0.081 0.000 1.355 1018 F CB -0.310 38.583 39.000 -0.180 0.000 1.069 1018 F HN 0.005 nan 8.300 nan 0.000 0.506 1019 W N -0.866 120.448 121.300 0.023 0.000 2.640 1019 W HA 0.094 4.755 4.660 0.001 0.000 0.268 1019 W C 2.082 178.299 176.519 -0.503 0.000 1.263 1019 W CA 0.274 57.417 57.345 -0.337 0.000 1.344 1019 W CB -1.059 28.214 29.460 -0.312 0.000 1.093 1019 W HN -0.304 nan 8.180 nan 0.000 0.603 1020 V N 2.019 122.009 119.914 0.126 0.000 2.255 1020 V HA -0.256 3.865 4.120 0.001 0.000 0.247 1020 V C -0.308 175.873 176.094 0.145 0.000 1.051 1020 V CA 2.129 64.582 62.300 0.256 0.000 1.018 1020 V CB -2.028 29.924 31.823 0.215 0.000 0.641 1020 V HN -0.042 nan 8.190 nan 0.000 0.445 1021 P HA -0.152 nan 4.420 nan 0.000 0.215 1021 P C 2.041 179.331 177.300 -0.017 0.000 1.153 1021 P CA 1.209 64.325 63.100 0.027 0.000 0.853 1021 P CB -0.128 31.531 31.700 -0.068 0.000 0.788 1022 L N -0.928 120.186 121.223 -0.181 0.000 1.997 1022 L HA -0.208 4.132 4.340 0.001 0.000 0.216 1022 L C 2.273 179.079 176.870 -0.106 0.000 1.074 1022 L CA 2.233 56.920 54.840 -0.256 0.000 0.763 1022 L CB -1.513 40.256 42.059 -0.483 0.000 0.890 1022 L HN -0.016 nan 8.230 nan 0.000 0.434 1023 F N -1.413 118.564 119.950 0.045 0.000 2.069 1023 F HA -0.345 4.183 4.527 0.001 0.000 0.298 1023 F C 2.621 178.455 175.800 0.057 0.000 1.113 1023 F CA 1.536 59.561 58.000 0.042 0.000 1.214 1023 F CB -0.789 38.245 39.000 0.057 0.000 0.978 1023 F HN 0.139 nan 8.300 nan 0.000 0.474 1024 Y N 1.154 121.542 120.300 0.146 0.000 2.070 1024 Y HA -0.270 4.280 4.550 0.001 0.000 0.280 1024 Y C 2.344 178.237 175.900 -0.013 0.000 1.148 1024 Y CA 1.557 59.673 58.100 0.027 0.000 1.125 1024 Y CB -0.934 37.512 38.460 -0.023 0.000 0.975 1024 Y HN -0.157 nan 8.280 nan 0.000 0.492 1025 V N 0.744 120.588 119.914 -0.116 0.000 2.287 1025 V HA -0.358 3.763 4.120 0.001 0.000 0.248 1025 V C 2.735 178.723 176.094 -0.177 0.000 1.053 1025 V CA 1.928 64.095 62.300 -0.222 0.000 1.027 1025 V CB -1.866 29.897 31.823 -0.099 0.000 0.646 1025 V HN 0.585 nan 8.190 nan 0.000 0.447 1026 A N 0.130 122.908 122.820 -0.071 0.000 1.873 1026 A HA -0.203 4.118 4.320 0.001 0.000 0.218 1026 A C 2.382 179.941 177.584 -0.043 0.000 1.193 1026 A CA 2.585 54.607 52.037 -0.025 0.000 0.629 1026 A CB -0.854 18.180 19.000 0.056 0.000 0.826 1026 A HN 0.372 nan 8.150 nan 0.000 0.447 1027 V N -0.552 119.340 119.914 -0.036 0.000 2.379 1027 V HA -0.182 3.939 4.120 0.001 0.000 0.245 1027 V C 2.674 178.702 176.094 -0.110 0.000 1.044 1027 V CA 2.097 64.378 62.300 -0.032 0.000 1.036 1027 V CB -1.021 30.825 31.823 0.038 0.000 0.664 1027 V HN 0.528 nan 8.190 nan 0.000 0.453 1028 S N 0.145 115.688 115.700 -0.262 0.000 2.387 1028 S HA -0.235 4.236 4.470 0.001 0.000 0.230 1028 S C 2.025 176.510 174.600 -0.190 0.000 1.035 1028 S CA 2.180 60.183 58.200 -0.328 0.000 1.014 1028 S CB -0.384 62.442 63.200 -0.624 0.000 0.836 1028 S HN 0.754 nan 8.310 nan 0.000 0.466 1029 T N 2.581 117.045 114.554 -0.150 0.000 2.643 1029 T HA 0.085 4.435 4.350 0.001 0.000 0.256 1029 T C 1.146 175.815 174.700 -0.052 0.000 1.061 1029 T CA 0.369 62.417 62.100 -0.087 0.000 1.163 1029 T CB -0.473 68.352 68.868 -0.073 0.000 0.865 1029 T HN 0.218 nan 8.240 nan 0.000 0.407 1030 L N 0.000 121.199 121.223 -0.039 0.000 2.949 1030 L HA 0.000 4.341 4.340 0.001 0.000 0.249 1030 L CA 0.000 54.828 54.840 -0.020 0.000 0.813 1030 L CB 0.000 42.050 42.059 -0.015 0.000 0.961 1030 L HN 0.000 nan 8.230 nan 0.000 0.502