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_C 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 0.000 176.413 176.300 0.189 0.000 1.140 1 M CA 0.000 55.327 55.300 0.044 0.000 0.988 1 M CB 0.000 32.660 32.600 0.100 0.000 1.302 2 S N 1.510 117.321 115.700 0.185 0.000 2.393 2 S HA -0.256 4.214 4.470 -0.000 0.000 0.235 2 S C 1.468 176.163 174.600 0.159 0.000 1.061 2 S CA 2.393 60.702 58.200 0.182 0.000 1.129 2 S CB -0.576 62.677 63.200 0.088 0.000 1.011 2 S HN 0.318 nan 8.310 nan 0.000 0.436 3 K N 0.217 120.676 120.400 0.098 0.000 2.020 3 K HA -0.148 4.172 4.320 -0.000 0.000 0.212 3 K C 1.882 178.512 176.600 0.050 0.000 1.050 3 K CA 1.817 58.141 56.287 0.062 0.000 0.929 3 K CB -0.463 32.064 32.500 0.044 0.000 0.714 3 K HN 0.379 nan 8.250 nan 0.000 0.443 4 F N 0.448 120.324 119.950 -0.124 0.000 2.120 4 F HA -0.254 4.273 4.527 -0.000 0.000 0.300 4 F C 1.668 177.303 175.800 -0.276 0.000 1.095 4 F CA 1.585 59.433 58.000 -0.253 0.000 1.249 4 F CB -0.234 38.502 39.000 -0.440 0.000 0.995 4 F HN -0.032 nan 8.300 nan 0.000 0.480 5 F N 0.094 120.090 119.950 0.076 0.000 2.367 5 F HA -0.053 4.474 4.527 -0.000 0.000 0.298 5 F C 2.228 177.976 175.800 -0.087 0.000 1.094 5 F CA 0.619 58.592 58.000 -0.045 0.000 1.409 5 F CB -0.352 38.655 39.000 0.011 0.000 1.064 5 F HN -0.067 nan 8.300 nan 0.000 0.528 6 I N 0.077 120.704 120.570 0.095 0.000 2.335 6 I HA -0.286 3.884 4.170 -0.000 0.000 0.251 6 I C 1.043 177.161 176.117 0.002 0.000 1.129 6 I CA 1.400 62.726 61.300 0.043 0.000 1.402 6 I CB -0.351 37.666 38.000 0.028 0.000 1.069 6 I HN 0.107 nan 8.210 nan 0.000 0.424 7 D N 0.874 121.234 120.400 -0.067 0.000 2.340 7 D HA 0.116 4.756 4.640 -0.000 0.000 0.217 7 D C 0.281 176.516 176.300 -0.109 0.000 1.081 7 D CA 0.287 54.235 54.000 -0.087 0.000 0.842 7 D CB 0.319 41.049 40.800 -0.118 0.000 0.934 7 D HN 0.317 nan 8.370 nan 0.000 0.511 8 R N 0.319 120.766 120.500 -0.089 0.000 2.655 8 R HA 0.207 4.547 4.340 -0.000 0.000 0.261 8 R C -2.177 174.227 176.300 0.173 0.000 1.624 8 R CA -1.021 55.080 56.100 0.002 0.000 1.655 8 R CB 1.366 31.590 30.300 -0.126 0.000 1.356 8 R HN -0.146 nan 8.270 nan 0.000 0.684 9 P HA -0.116 nan 4.420 nan 0.000 0.226 9 P C 1.036 178.519 177.300 0.304 0.000 1.153 9 P CA 0.887 64.097 63.100 0.184 0.000 0.777 9 P CB 0.158 31.962 31.700 0.174 0.000 0.794 10 I N -6.382 114.395 120.570 0.345 0.000 3.526 10 I HA 0.092 4.262 4.170 -0.000 0.000 0.294 10 I C 2.082 178.455 176.117 0.427 0.000 1.229 10 I CA 0.151 61.705 61.300 0.423 0.000 1.408 10 I CB -0.745 37.417 38.000 0.269 0.000 1.127 10 I HN -0.205 nan 8.210 nan 0.000 0.439 11 F N 2.771 122.862 119.950 0.236 0.000 2.095 11 F HA -0.247 4.280 4.527 0.000 0.000 0.298 11 F C 2.666 178.621 175.800 0.259 0.000 1.104 11 F CA 1.610 59.780 58.000 0.283 0.000 1.232 11 F CB 0.130 39.354 39.000 0.373 0.000 0.987 11 F HN 0.195 nan 8.300 nan 0.000 0.475 12 A N -0.170 122.907 122.820 0.429 0.000 1.908 12 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 12 A C 1.929 179.490 177.584 -0.038 0.000 1.181 12 A CA 1.756 53.748 52.037 -0.076 0.000 0.627 12 A CB -1.667 17.238 19.000 -0.157 0.000 0.818 12 A HN 0.717 nan 8.150 nan 0.000 0.445 13 W N -0.383 120.972 121.300 0.091 0.000 2.358 13 W HA -0.128 4.532 4.660 -0.000 0.000 0.303 13 W C 2.297 178.860 176.519 0.074 0.000 1.208 13 W CA 1.334 58.717 57.345 0.064 0.000 1.274 13 W CB -0.169 29.331 29.460 0.066 0.000 1.138 13 W HN 0.148 nan 8.180 nan 0.000 0.515 14 V N 1.305 121.445 119.914 0.376 0.000 2.407 14 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 14 V C 1.979 178.202 176.094 0.214 0.000 1.055 14 V CA 2.000 64.458 62.300 0.263 0.000 1.049 14 V CB -0.978 30.970 31.823 0.208 0.000 0.662 14 V HN 0.355 nan 8.190 nan 0.000 0.455 15 I N 0.215 120.911 120.570 0.210 0.000 2.252 15 I HA -0.094 4.076 4.170 -0.000 0.000 0.245 15 I C 2.437 178.598 176.117 0.073 0.000 1.102 15 I CA 1.889 63.265 61.300 0.127 0.000 1.385 15 I CB -0.651 37.386 38.000 0.062 0.000 1.064 15 I HN 0.115 nan 8.210 nan 0.000 0.414 16 A N 1.675 124.523 122.820 0.047 0.000 1.940 16 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 16 A C 2.349 180.008 177.584 0.126 0.000 1.176 16 A CA 2.046 54.111 52.037 0.047 0.000 0.631 16 A CB -1.071 17.921 19.000 -0.014 0.000 0.814 16 A HN 0.604 nan 8.150 nan 0.000 0.446 17 L N -0.918 120.416 121.223 0.185 0.000 2.044 17 L HA -0.126 4.214 4.340 -0.000 0.000 0.205 17 L C 2.556 179.490 176.870 0.107 0.000 1.075 17 L CA 0.956 55.894 54.840 0.164 0.000 0.747 17 L CB -0.484 41.677 42.059 0.171 0.000 0.903 17 L HN 0.243 nan 8.230 nan 0.000 0.435 18 V N 0.984 120.958 119.914 0.101 0.000 2.332 18 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 18 V C 2.310 178.444 176.094 0.067 0.000 1.055 18 V CA 2.257 64.603 62.300 0.077 0.000 1.038 18 V CB -0.446 31.424 31.823 0.079 0.000 0.651 18 V HN 0.510 nan 8.190 nan 0.000 0.450 19 I N -2.246 118.365 120.570 0.068 0.000 2.439 19 I HA -0.202 3.968 4.170 -0.000 0.000 0.251 19 I C 2.342 178.498 176.117 0.066 0.000 1.139 19 I CA 1.765 63.100 61.300 0.059 0.000 1.438 19 I CB -0.322 37.706 38.000 0.046 0.000 1.085 19 I HN 0.226 nan 8.210 nan 0.000 0.427 20 M N 0.780 120.425 119.600 0.074 0.000 2.117 20 M HA -0.160 4.320 4.480 -0.000 0.000 0.262 20 M C 2.374 178.710 176.300 0.060 0.000 1.065 20 M CA 1.692 57.038 55.300 0.076 0.000 1.114 20 M CB -0.314 32.340 32.600 0.090 0.000 1.361 20 M HN 0.411 nan 8.290 nan 0.000 0.408 21 L N 0.202 121.458 121.223 0.056 0.000 2.017 21 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 21 L C 2.449 179.340 176.870 0.034 0.000 1.073 21 L CA 2.154 57.018 54.840 0.040 0.000 0.745 21 L CB -0.826 41.257 42.059 0.040 0.000 0.894 21 L HN 0.276 nan 8.230 nan 0.000 0.432 22 A N -0.513 122.332 122.820 0.041 0.000 1.969 22 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 22 A C 2.292 179.903 177.584 0.046 0.000 1.169 22 A CA 1.309 53.368 52.037 0.037 0.000 0.635 22 A CB -1.020 18.003 19.000 0.038 0.000 0.810 22 A HN 0.522 nan 8.150 nan 0.000 0.445 23 G N -0.526 108.311 108.800 0.062 0.000 2.408 23 G HA2 0.089 4.049 3.960 -0.000 0.000 0.217 23 G HA3 0.089 4.049 3.960 -0.000 0.000 0.217 23 G C 1.471 176.406 174.900 0.058 0.000 1.150 23 G CA 1.184 46.341 45.100 0.094 0.000 0.776 23 G HN 0.638 nan 8.290 nan 0.000 0.542 24 G N 1.049 109.861 108.800 0.019 0.000 2.414 24 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.215 24 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.215 24 G C 1.694 176.567 174.900 -0.045 0.000 1.188 24 G CA 0.513 45.591 45.100 -0.036 0.000 0.783 24 G HN 0.359 nan 8.290 nan 0.000 0.537 25 L N 1.835 123.049 121.223 -0.015 0.000 2.349 25 L HA -0.111 4.229 4.340 -0.000 0.000 0.220 25 L C 2.974 179.838 176.870 -0.011 0.000 1.130 25 L CA 1.542 56.374 54.840 -0.014 0.000 0.791 25 L CB -0.526 41.532 42.059 -0.001 0.000 0.918 25 L HN 0.387 nan 8.230 nan 0.000 0.444 26 S N -0.784 114.917 115.700 0.002 0.000 2.439 26 S HA 0.027 4.497 4.470 -0.000 0.000 0.224 26 S C 1.910 176.509 174.600 -0.001 0.000 1.029 26 S CA 0.037 58.250 58.200 0.023 0.000 0.946 26 S CB -0.115 63.125 63.200 0.068 0.000 0.797 26 S HN 0.231 nan 8.310 nan 0.000 0.504 27 I N 2.277 122.797 120.570 -0.083 0.000 2.315 27 I HA -0.181 3.989 4.170 -0.000 0.000 0.251 27 I C 2.221 178.268 176.117 -0.117 0.000 1.125 27 I CA 1.290 62.463 61.300 -0.212 0.000 1.392 27 I CB -0.880 36.884 38.000 -0.394 0.000 1.065 27 I HN 0.339 nan 8.210 nan 0.000 0.424 28 L N 0.438 121.616 121.223 -0.075 0.000 2.056 28 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 28 L C 2.404 179.259 176.870 -0.025 0.000 1.078 28 L CA 1.751 56.561 54.840 -0.050 0.000 0.749 28 L CB -0.560 41.476 42.059 -0.038 0.000 0.901 28 L HN 0.310 nan 8.230 nan 0.000 0.433 29 S N -1.147 114.548 115.700 -0.010 0.000 2.556 29 S HA 0.226 4.696 4.470 -0.000 0.000 0.216 29 S C 0.662 175.274 174.600 0.019 0.000 0.970 29 S CA -0.378 57.825 58.200 0.004 0.000 0.912 29 S CB -0.344 62.860 63.200 0.007 0.000 0.790 29 S HN 0.140 nan 8.310 nan 0.000 0.504 30 L N 2.581 123.821 121.223 0.028 0.000 2.416 30 L HA 0.320 4.660 4.340 -0.000 0.000 0.272 30 L C -2.347 174.549 176.870 0.043 0.000 1.161 30 L CA -1.889 52.986 54.840 0.058 0.000 0.845 30 L CB 0.049 42.170 42.059 0.102 0.000 1.119 30 L HN 0.018 nan 8.230 nan 0.000 0.464 31 P HA 0.125 nan 4.420 nan 0.000 0.276 31 P C -1.035 176.288 177.300 0.038 0.000 1.230 31 P CA -0.219 62.902 63.100 0.035 0.000 0.776 31 P CB 0.930 32.648 31.700 0.030 0.000 0.888 32 V N 4.393 124.323 119.914 0.026 0.000 2.384 32 V HA 0.400 4.520 4.120 -0.000 0.000 0.287 32 V C -0.043 176.059 176.094 0.013 0.000 1.020 32 V CA -0.351 61.960 62.300 0.019 0.000 0.850 32 V CB 1.163 32.994 31.823 0.014 0.000 0.987 32 V HN 0.522 nan 8.190 nan 0.000 0.436 33 N N 2.308 121.009 118.700 0.002 0.000 2.469 33 N HA 0.407 5.147 4.740 -0.000 0.000 0.286 33 N C 0.522 176.008 175.510 -0.039 0.000 1.275 33 N CA -0.810 52.243 53.050 0.006 0.000 0.790 33 N CB 1.745 40.247 38.487 0.025 0.000 1.446 33 N HN 0.623 nan 8.380 nan 0.000 0.501 34 Q N -0.552 119.238 119.800 -0.017 0.000 2.089 34 Q HA 0.128 4.468 4.340 -0.000 0.000 0.195 34 Q C -0.519 175.277 176.000 -0.340 0.000 0.963 34 Q CA 1.357 57.082 55.803 -0.130 0.000 0.834 34 Q CB 0.235 28.999 28.738 0.042 0.000 0.906 34 Q HN 0.599 nan 8.270 nan 0.000 0.452 35 Y N -0.788 119.518 120.300 0.011 0.000 2.634 35 Y HA 0.460 5.010 4.550 -0.000 0.000 0.340 35 Y C -2.167 173.739 175.900 0.010 0.000 1.058 35 Y CA -2.811 55.297 58.100 0.012 0.000 1.081 35 Y CB 1.354 39.842 38.460 0.047 0.000 1.295 35 Y HN 0.096 nan 8.280 nan 0.000 0.487 36 P HA 0.242 nan 4.420 nan 0.000 0.279 36 P C -1.096 176.252 177.300 0.080 0.000 1.282 36 P CA -0.651 62.498 63.100 0.082 0.000 0.788 36 P CB 0.445 32.178 31.700 0.055 0.000 1.139 37 A N 1.107 123.943 122.820 0.027 0.000 2.981 37 A HA 0.102 4.422 4.320 -0.000 0.000 0.280 37 A C 1.029 178.628 177.584 0.027 0.000 1.797 37 A CA -0.053 51.998 52.037 0.023 0.000 1.456 37 A CB -1.871 17.126 19.000 -0.005 0.000 1.057 37 A HN 0.694 nan 8.150 nan 0.000 0.602 38 I N 0.112 120.710 120.570 0.047 0.000 3.793 38 I HA 0.390 4.560 4.170 -0.000 0.000 0.315 38 I C 0.827 176.970 176.117 0.043 0.000 1.275 38 I CA 0.087 61.415 61.300 0.047 0.000 1.214 38 I CB 0.129 38.162 38.000 0.056 0.000 1.018 38 I HN 0.408 nan 8.210 nan 0.000 0.439 39 A N 2.091 124.929 122.820 0.031 0.000 2.309 39 A HA 0.654 4.974 4.320 -0.000 0.000 0.298 39 A C -2.519 175.071 177.584 0.011 0.000 1.165 39 A CA -1.538 50.513 52.037 0.023 0.000 0.821 39 A CB -0.255 18.755 19.000 0.016 0.000 1.102 39 A HN 0.161 nan 8.150 nan 0.000 0.500 40 P HA 0.231 nan 4.420 nan 0.000 0.265 40 P C -2.473 174.823 177.300 -0.006 0.000 1.222 40 P CA -0.608 62.484 63.100 -0.014 0.000 0.767 40 P CB -0.232 31.428 31.700 -0.067 0.000 0.801 41 P HA 0.183 nan 4.420 nan 0.000 0.262 41 P C -0.731 176.612 177.300 0.072 0.000 1.182 41 P CA 0.549 63.654 63.100 0.008 0.000 0.761 41 P CB 0.428 32.108 31.700 -0.034 0.000 0.795 42 A N 3.870 126.723 122.820 0.056 0.000 2.455 42 A HA 0.757 5.077 4.320 -0.000 0.000 0.300 42 A C -0.683 176.949 177.584 0.081 0.000 1.040 42 A CA -0.709 51.392 52.037 0.107 0.000 0.697 42 A CB 0.987 20.017 19.000 0.050 0.000 1.265 42 A HN 0.626 nan 8.150 nan 0.000 0.407 43 I N -0.170 120.482 120.570 0.137 0.000 2.545 43 I HA 0.909 5.079 4.170 -0.000 0.000 0.292 43 I C -0.206 175.954 176.117 0.073 0.000 1.040 43 I CA -0.863 60.481 61.300 0.073 0.000 1.068 43 I CB 2.154 40.179 38.000 0.042 0.000 1.251 43 I HN 0.749 nan 8.210 nan 0.000 0.424 44 A N 5.846 128.686 122.820 0.032 0.000 2.324 44 A HA 0.810 5.130 4.320 -0.000 0.000 0.330 44 A C -0.771 176.820 177.584 0.011 0.000 1.165 44 A CA -0.635 51.415 52.037 0.022 0.000 0.813 44 A CB 1.642 20.648 19.000 0.011 0.000 1.197 44 A HN 0.611 nan 8.150 nan 0.000 0.484 45 V N 2.355 122.273 119.914 0.007 0.000 2.459 45 V HA 0.485 4.605 4.120 -0.000 0.000 0.295 45 V C -0.180 175.909 176.094 -0.008 0.000 1.029 45 V CA -0.267 62.031 62.300 -0.002 0.000 0.874 45 V CB 1.262 33.083 31.823 -0.003 0.000 0.985 45 V HN 1.005 nan 8.190 nan 0.000 0.438 46 Q N 2.620 122.414 119.800 -0.010 0.000 2.359 46 Q HA 0.857 5.197 4.340 -0.000 0.000 0.274 46 Q C -1.654 174.342 176.000 -0.007 0.000 1.074 46 Q CA -0.567 55.232 55.803 -0.007 0.000 0.810 46 Q CB 3.232 31.968 28.738 -0.003 0.000 1.342 46 Q HN 0.516 nan 8.270 nan 0.000 0.427 47 V N 0.743 120.657 119.914 -0.000 0.000 3.108 47 V HA 0.420 4.540 4.120 -0.000 0.000 0.287 47 V C -1.524 174.588 176.094 0.030 0.000 1.436 47 V CA -0.381 61.924 62.300 0.007 0.000 1.001 47 V CB 2.785 34.605 31.823 -0.006 0.000 1.141 47 V HN 0.822 nan 8.190 nan 0.000 0.443 48 S N 3.665 119.395 115.700 0.050 0.000 2.608 48 S HA 0.643 5.113 4.470 -0.000 0.000 0.291 48 S C -1.442 173.255 174.600 0.161 0.000 1.146 48 S CA -0.254 57.997 58.200 0.085 0.000 1.043 48 S CB 1.347 64.587 63.200 0.068 0.000 1.037 48 S HN 0.698 nan 8.310 nan 0.000 0.520 49 Y N 3.513 123.812 120.300 -0.002 0.000 2.805 49 Y HA 0.395 4.945 4.550 -0.000 0.000 0.339 49 Y C -2.815 173.087 175.900 0.004 0.000 1.012 49 Y CA -3.178 54.921 58.100 -0.003 0.000 1.262 49 Y CB 0.049 38.503 38.460 -0.010 0.000 1.100 49 Y HN 0.391 nan 8.280 nan 0.000 0.559 50 P HA 0.088 nan 4.420 nan 0.000 0.253 50 P C 0.297 177.462 177.300 -0.226 0.000 1.159 50 P CA 1.691 64.740 63.100 -0.085 0.000 0.779 50 P CB 0.108 31.790 31.700 -0.029 0.000 0.745 51 G N 2.604 111.309 108.800 -0.159 0.000 2.540 51 G HA2 0.151 4.111 3.960 -0.000 0.000 0.260 51 G HA3 0.151 4.111 3.960 -0.000 0.000 0.260 51 G C -0.182 174.554 174.900 -0.275 0.000 0.993 51 G CA -0.172 44.825 45.100 -0.172 0.000 1.327 51 G HN 0.785 nan 8.290 nan 0.000 0.485 52 A N 0.893 123.594 122.820 -0.199 0.000 2.604 52 A HA 0.994 5.314 4.320 -0.000 0.000 0.295 52 A C 0.219 177.770 177.584 -0.054 0.000 1.067 52 A CA 0.341 52.281 52.037 -0.163 0.000 0.683 52 A CB 0.943 19.825 19.000 -0.198 0.000 1.281 52 A HN 2.143 nan 8.150 nan 0.000 0.407 53 S N 0.752 116.434 115.700 -0.030 0.000 2.592 53 S HA 0.506 4.976 4.470 -0.000 0.000 0.271 53 S C 1.240 175.832 174.600 -0.015 0.000 1.326 53 S CA 0.040 58.224 58.200 -0.025 0.000 1.024 53 S CB 1.409 64.590 63.200 -0.030 0.000 0.921 53 S HN 2.030 nan 8.310 nan 0.000 0.527 54 A N 0.925 123.726 122.820 -0.032 0.000 2.186 54 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 54 A C 1.926 179.470 177.584 -0.068 0.000 1.159 54 A CA 1.220 53.230 52.037 -0.045 0.000 0.680 54 A CB -0.633 18.332 19.000 -0.059 0.000 0.787 54 A HN 0.924 nan 8.150 nan 0.000 0.467 55 E N -2.009 118.152 120.200 -0.066 0.000 2.251 55 E HA -0.032 4.318 4.350 -0.000 0.000 0.194 55 E C 1.564 178.141 176.600 -0.038 0.000 0.964 55 E CA 0.940 57.291 56.400 -0.081 0.000 0.868 55 E CB -0.491 29.155 29.700 -0.090 0.000 0.828 55 E HN 0.372 nan 8.360 nan 0.000 0.481 56 T N 0.707 115.258 114.554 -0.005 0.000 3.088 56 T HA 0.052 4.402 4.350 -0.000 0.000 0.259 56 T C 1.774 176.518 174.700 0.073 0.000 1.122 56 T CA 0.188 62.309 62.100 0.035 0.000 1.095 56 T CB 0.161 69.062 68.868 0.054 0.000 0.930 56 T HN -0.078 nan 8.240 nan 0.000 0.508 57 V N 1.742 121.692 119.914 0.061 0.000 2.426 57 V HA -0.076 4.044 4.120 -0.000 0.000 0.242 57 V C 2.539 178.627 176.094 -0.010 0.000 1.036 57 V CA 1.855 64.197 62.300 0.070 0.000 1.044 57 V CB -0.369 31.501 31.823 0.078 0.000 0.688 57 V HN 0.616 nan 8.190 nan 0.000 0.462 58 Q N -0.437 119.341 119.800 -0.036 0.000 2.439 58 Q HA -0.209 4.131 4.340 -0.000 0.000 0.211 58 Q C 1.035 176.998 176.000 -0.061 0.000 0.978 58 Q CA 1.906 57.670 55.803 -0.065 0.000 0.897 58 Q CB -0.126 28.558 28.738 -0.091 0.000 0.956 58 Q HN 0.512 nan 8.270 nan 0.000 0.483 59 D N -0.546 119.827 120.400 -0.045 0.000 2.417 59 D HA 0.022 4.662 4.640 -0.000 0.000 0.207 59 D C 0.919 177.193 176.300 -0.044 0.000 1.075 59 D CA 0.652 54.628 54.000 -0.041 0.000 0.851 59 D CB 0.771 41.553 40.800 -0.030 0.000 0.976 59 D HN 0.222 nan 8.370 nan 0.000 0.505 60 T N -0.955 113.566 114.554 -0.055 0.000 2.975 60 T HA 0.187 4.537 4.350 -0.000 0.000 0.257 60 T C 1.295 175.909 174.700 -0.142 0.000 1.003 60 T CA 0.265 62.309 62.100 -0.094 0.000 0.932 60 T CB 0.525 69.329 68.868 -0.107 0.000 1.087 60 T HN -0.150 nan 8.240 nan 0.000 0.512 61 V N -0.440 119.401 119.914 -0.121 0.000 3.658 61 V HA 0.215 4.335 4.120 -0.000 0.000 0.197 61 V C 2.195 178.238 176.094 -0.085 0.000 1.295 61 V CA 0.312 62.539 62.300 -0.122 0.000 1.298 61 V CB -0.124 31.616 31.823 -0.138 0.000 1.347 61 V HN 0.148 nan 8.190 nan 0.000 0.548 62 V N 0.641 120.510 119.914 -0.076 0.000 2.231 62 V HA -0.336 3.784 4.120 -0.000 0.000 0.250 62 V C 2.585 178.637 176.094 -0.071 0.000 1.058 62 V CA 2.667 64.923 62.300 -0.074 0.000 1.022 62 V CB -0.642 31.131 31.823 -0.083 0.000 0.640 62 V HN 0.556 nan 8.190 nan 0.000 0.445 63 Q N -0.444 119.314 119.800 -0.070 0.000 2.197 63 Q HA -0.188 4.152 4.340 -0.000 0.000 0.207 63 Q C 2.070 178.037 176.000 -0.053 0.000 0.984 63 Q CA 2.128 57.894 55.803 -0.062 0.000 0.869 63 Q CB -0.269 28.435 28.738 -0.056 0.000 0.906 63 Q HN 0.620 nan 8.270 nan 0.000 0.426 64 V N 1.051 120.932 119.914 -0.055 0.000 2.878 64 V HA -0.151 3.969 4.120 -0.000 0.000 0.250 64 V C 2.284 178.352 176.094 -0.044 0.000 1.075 64 V CA 1.178 63.449 62.300 -0.048 0.000 1.096 64 V CB -0.638 31.154 31.823 -0.053 0.000 0.724 64 V HN 0.438 nan 8.190 nan 0.000 0.467 65 I N -1.400 119.142 120.570 -0.047 0.000 2.617 65 I HA -0.038 4.132 4.170 -0.000 0.000 0.256 65 I C 2.167 178.263 176.117 -0.035 0.000 1.167 65 I CA 1.334 62.610 61.300 -0.039 0.000 1.469 65 I CB -0.516 37.460 38.000 -0.040 0.000 1.098 65 I HN 0.244 nan 8.210 nan 0.000 0.436 66 E N 1.545 121.720 120.200 -0.042 0.000 2.077 66 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 66 E C 2.007 178.586 176.600 -0.033 0.000 0.989 66 E CA 1.269 57.645 56.400 -0.041 0.000 0.800 66 E CB -0.227 29.443 29.700 -0.050 0.000 0.746 66 E HN 0.656 nan 8.360 nan 0.000 0.452 67 Q N 0.029 119.810 119.800 -0.032 0.000 2.561 67 Q HA -0.125 4.215 4.340 -0.000 0.000 0.217 67 Q C 1.644 177.631 176.000 -0.021 0.000 0.980 67 Q CA 0.659 56.447 55.803 -0.025 0.000 0.927 67 Q CB 0.192 28.915 28.738 -0.025 0.000 0.980 67 Q HN 0.287 nan 8.270 nan 0.000 0.525 68 Q N -1.190 118.597 119.800 -0.021 0.000 2.391 68 Q HA 0.137 4.477 4.340 -0.000 0.000 0.243 68 Q C 1.758 177.751 176.000 -0.012 0.000 0.874 68 Q CA 0.194 55.988 55.803 -0.015 0.000 0.950 68 Q CB 0.415 29.144 28.738 -0.014 0.000 1.103 68 Q HN 0.350 nan 8.270 nan 0.000 0.544 69 M N 0.876 120.465 119.600 -0.019 0.000 2.394 69 M HA 0.001 4.481 4.480 -0.000 0.000 0.264 69 M C 0.279 176.555 176.300 -0.041 0.000 1.073 69 M CA 0.475 55.760 55.300 -0.025 0.000 1.111 69 M CB -0.889 31.691 32.600 -0.033 0.000 1.401 69 M HN -0.018 nan 8.290 nan 0.000 0.448 70 N N 1.638 120.318 118.700 -0.034 0.000 2.412 70 N HA 0.166 4.906 4.740 -0.000 0.000 0.258 70 N C 0.923 176.417 175.510 -0.027 0.000 1.236 70 N CA 1.105 54.135 53.050 -0.033 0.000 0.882 70 N CB 0.203 38.676 38.487 -0.022 0.000 1.066 70 N HN 0.497 nan 8.380 nan 0.000 0.465 71 G N 2.008 110.787 108.800 -0.034 0.000 2.291 71 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.271 71 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.271 71 G C -0.094 174.800 174.900 -0.009 0.000 1.099 71 G CA -0.367 44.721 45.100 -0.019 0.000 0.919 71 G HN 0.549 nan 8.290 nan 0.000 0.496 72 I N 0.160 120.714 120.570 -0.026 0.000 2.498 72 I HA 0.239 4.409 4.170 -0.000 0.000 0.301 72 I C 0.045 176.188 176.117 0.044 0.000 0.984 72 I CA -1.044 60.273 61.300 0.028 0.000 1.204 72 I CB 1.078 39.111 38.000 0.055 0.000 1.362 72 I HN -0.006 nan 8.210 nan 0.000 0.471 73 D N 5.825 126.293 120.400 0.114 0.000 2.583 73 D HA -0.056 4.584 4.640 -0.000 0.000 0.232 73 D C 0.622 177.032 176.300 0.182 0.000 1.128 73 D CA 0.872 54.944 54.000 0.119 0.000 0.859 73 D CB 0.031 40.897 40.800 0.110 0.000 1.169 73 D HN 0.503 nan 8.370 nan 0.000 0.481 74 N N 0.126 118.884 118.700 0.097 0.000 2.828 74 N HA -0.242 4.498 4.740 -0.000 0.000 0.248 74 N C 0.149 175.638 175.510 -0.035 0.000 1.044 74 N CA 0.230 53.339 53.050 0.098 0.000 0.851 74 N CB -1.398 37.212 38.487 0.206 0.000 1.136 74 N HN 0.521 nan 8.380 nan 0.000 0.572 75 L N 1.715 122.814 121.223 -0.206 0.000 2.615 75 L HA -0.034 4.306 4.340 -0.000 0.000 0.271 75 L C 1.771 178.466 176.870 -0.292 0.000 1.183 75 L CA 0.423 54.989 54.840 -0.457 0.000 0.933 75 L CB 0.453 42.296 42.059 -0.360 0.000 1.199 75 L HN 0.201 nan 8.230 nan 0.000 0.487 76 R N 5.128 125.395 120.500 -0.388 0.000 2.064 76 R HA 0.076 4.416 4.340 -0.000 0.000 0.221 76 R C -0.640 175.472 176.300 -0.314 0.000 1.136 76 R CA 0.985 56.858 56.100 -0.379 0.000 0.980 76 R CB 0.201 30.135 30.300 -0.610 0.000 0.876 76 R HN 0.756 nan 8.270 nan 0.000 0.437 77 Y N -1.627 118.536 120.300 -0.228 0.000 2.702 77 Y HA 0.486 5.036 4.550 0.000 0.000 0.336 77 Y C -1.285 174.545 175.900 -0.116 0.000 1.203 77 Y CA -1.740 56.272 58.100 -0.147 0.000 1.072 77 Y CB 1.042 39.431 38.460 -0.119 0.000 1.327 77 Y HN -0.119 nan 8.280 nan 0.000 0.456 78 I N 1.697 122.410 120.570 0.239 0.000 2.465 78 I HA 0.745 4.915 4.170 -0.000 0.000 0.291 78 I C -0.969 175.234 176.117 0.144 0.000 1.014 78 I CA -1.055 60.326 61.300 0.135 0.000 1.093 78 I CB 2.221 40.230 38.000 0.016 0.000 1.267 78 I HN 0.697 nan 8.210 nan 0.000 0.431 79 S N 2.850 118.618 115.700 0.113 0.000 2.774 79 S HA 0.581 5.051 4.470 -0.000 0.000 0.297 79 S C -0.266 174.257 174.600 -0.129 0.000 1.143 79 S CA -0.618 57.588 58.200 0.011 0.000 1.090 79 S CB 1.232 64.583 63.200 0.252 0.000 1.019 79 S HN 0.806 nan 8.310 nan 0.000 0.482 80 S N 1.440 116.980 115.700 -0.266 0.000 2.687 80 S HA 0.715 5.185 4.470 -0.000 0.000 0.283 80 S C -0.470 173.980 174.600 -0.251 0.000 1.170 80 S CA -0.683 57.394 58.200 -0.205 0.000 1.008 80 S CB 1.429 64.522 63.200 -0.177 0.000 1.026 80 S HN 0.867 nan 8.310 nan 0.000 0.541 81 E N 0.334 120.439 120.200 -0.158 0.000 2.294 81 E HA 0.385 4.735 4.350 -0.000 0.000 0.272 81 E C -1.696 174.849 176.600 -0.091 0.000 0.896 81 E CA -0.460 55.859 56.400 -0.135 0.000 0.802 81 E CB 1.722 31.369 29.700 -0.088 0.000 1.267 81 E HN 0.680 nan 8.360 nan 0.000 0.406 82 S N 3.796 119.440 115.700 -0.095 0.000 2.456 82 S HA 0.501 4.971 4.470 -0.000 0.000 0.316 82 S C -0.431 174.141 174.600 -0.047 0.000 1.089 82 S CA -0.959 57.203 58.200 -0.063 0.000 1.101 82 S CB 0.883 64.038 63.200 -0.074 0.000 0.995 82 S HN 0.439 nan 8.310 nan 0.000 0.468 83 N N 0.955 119.643 118.700 -0.021 0.000 2.432 83 N HA 0.314 5.054 4.740 -0.000 0.000 0.292 83 N C 0.755 176.263 175.510 -0.004 0.000 1.193 83 N CA -0.712 52.332 53.050 -0.010 0.000 0.878 83 N CB 1.456 39.945 38.487 0.004 0.000 1.252 83 N HN 0.578 nan 8.380 nan 0.000 0.520 84 S N -1.190 114.508 115.700 -0.005 0.000 2.603 84 S HA 0.007 4.477 4.470 -0.000 0.000 0.220 84 S C 0.247 174.847 174.600 -0.000 0.000 0.967 84 S CA 0.304 58.500 58.200 -0.007 0.000 0.920 84 S CB -0.159 63.033 63.200 -0.012 0.000 0.773 84 S HN 0.376 nan 8.310 nan 0.000 0.529 85 D N 1.734 122.142 120.400 0.013 0.000 2.371 85 D HA 0.244 4.884 4.640 -0.000 0.000 0.221 85 D C 1.639 177.952 176.300 0.021 0.000 0.986 85 D CA 1.059 55.072 54.000 0.022 0.000 0.899 85 D CB -0.470 40.352 40.800 0.037 0.000 0.902 85 D HN 0.579 nan 8.370 nan 0.000 0.530 86 G N 0.065 108.878 108.800 0.020 0.000 2.199 86 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.254 86 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.254 86 G C 0.465 175.411 174.900 0.076 0.000 0.982 86 G CA 0.401 45.526 45.100 0.043 0.000 0.632 86 G HN 0.507 nan 8.290 nan 0.000 0.529 87 S N 0.631 116.361 115.700 0.051 0.000 2.528 87 S HA 0.736 5.206 4.470 -0.000 0.000 0.277 87 S C 0.250 174.868 174.600 0.030 0.000 1.297 87 S CA -0.139 58.088 58.200 0.046 0.000 1.052 87 S CB 1.993 65.218 63.200 0.042 0.000 0.917 87 S HN 0.794 nan 8.310 nan 0.000 0.492 88 M N 2.957 122.571 119.600 0.023 0.000 2.602 88 M HA 0.592 5.072 4.480 -0.000 0.000 0.312 88 M C -1.215 175.081 176.300 -0.007 0.000 1.181 88 M CA -0.098 55.201 55.300 -0.001 0.000 0.910 88 M CB 1.960 34.555 32.600 -0.009 0.000 1.723 88 M HN 0.972 nan 8.290 nan 0.000 0.459 89 T N 5.557 120.098 114.554 -0.021 0.000 3.829 89 T HA 0.473 4.823 4.350 -0.000 0.000 0.332 89 T C -1.290 173.391 174.700 -0.032 0.000 0.845 89 T CA -0.638 61.452 62.100 -0.017 0.000 1.010 89 T CB -0.075 68.792 68.868 -0.001 0.000 1.051 89 T HN 0.656 nan 8.240 nan 0.000 0.465 90 I N 2.398 122.950 120.570 -0.031 0.000 2.385 90 I HA 0.815 4.985 4.170 -0.000 0.000 0.294 90 I C -0.155 175.958 176.117 -0.007 0.000 0.988 90 I CA -0.228 61.051 61.300 -0.036 0.000 1.265 90 I CB 1.794 39.768 38.000 -0.043 0.000 1.388 90 I HN 0.418 nan 8.210 nan 0.000 0.480 91 T N 5.658 120.216 114.554 0.006 0.000 2.786 91 T HA 0.565 4.915 4.350 -0.000 0.000 0.283 91 T C -0.361 174.370 174.700 0.052 0.000 0.992 91 T CA -0.545 61.579 62.100 0.039 0.000 0.954 91 T CB 1.313 70.217 68.868 0.059 0.000 0.934 91 T HN 0.457 nan 8.240 nan 0.000 0.440 92 V N 3.983 123.924 119.914 0.046 0.000 2.311 92 V HA 0.339 4.459 4.120 -0.000 0.000 0.275 92 V C 0.424 176.510 176.094 -0.013 0.000 1.022 92 V CA -0.730 61.560 62.300 -0.017 0.000 0.830 92 V CB 0.847 32.661 31.823 -0.015 0.000 1.012 92 V HN 0.951 nan 8.190 nan 0.000 0.452 93 T N 6.171 120.639 114.554 -0.144 0.000 2.743 93 T HA 0.587 4.937 4.350 -0.000 0.000 0.293 93 T C -0.221 174.263 174.700 -0.361 0.000 0.945 93 T CA 0.080 62.055 62.100 -0.209 0.000 1.030 93 T CB 0.306 68.900 68.868 -0.457 0.000 0.912 93 T HN 0.274 nan 8.240 nan 0.000 0.483 94 F N 1.215 121.044 119.950 -0.202 0.000 2.364 94 F HA 0.527 5.054 4.527 0.000 0.000 0.316 94 F C 1.028 176.726 175.800 -0.170 0.000 1.133 94 F CA -1.309 56.594 58.000 -0.162 0.000 1.051 94 F CB 0.619 39.560 39.000 -0.097 0.000 1.342 94 F HN 0.344 nan 8.300 nan 0.000 0.507 95 E N 0.022 120.277 120.200 0.093 0.000 2.349 95 E HA 0.086 4.436 4.350 -0.000 0.000 0.262 95 E C 0.315 176.942 176.600 0.045 0.000 1.088 95 E CA -0.090 56.327 56.400 0.029 0.000 0.899 95 E CB 0.599 30.323 29.700 0.041 0.000 1.044 95 E HN 0.330 nan 8.360 nan 0.000 0.420 96 Q N 1.535 121.358 119.800 0.038 0.000 2.631 96 Q HA -0.038 4.302 4.340 -0.000 0.000 0.220 96 Q C 0.202 176.219 176.000 0.029 0.000 0.978 96 Q CA 1.063 56.888 55.803 0.036 0.000 0.961 96 Q CB 0.012 28.782 28.738 0.055 0.000 0.988 96 Q HN 0.610 nan 8.270 nan 0.000 0.567 97 G N -0.530 108.286 108.800 0.026 0.000 4.250 97 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.242 97 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.242 97 G C 0.166 175.065 174.900 -0.002 0.000 1.075 97 G CA 0.139 45.245 45.100 0.010 0.000 0.846 97 G HN 0.256 nan 8.290 nan 0.000 0.445 98 T N -0.291 114.265 114.554 0.002 0.000 2.904 98 T HA 0.382 4.732 4.350 -0.000 0.000 0.290 98 T C -0.426 174.224 174.700 -0.083 0.000 1.018 98 T CA -0.289 61.796 62.100 -0.026 0.000 1.075 98 T CB 1.540 70.411 68.868 0.005 0.000 0.986 98 T HN -0.021 nan 8.240 nan 0.000 0.523 99 D N 3.543 123.883 120.400 -0.100 0.000 2.358 99 D HA 0.261 4.901 4.640 -0.000 0.000 0.258 99 D C -1.610 174.579 176.300 -0.186 0.000 1.223 99 D CA -2.244 51.687 54.000 -0.114 0.000 0.886 99 D CB 1.490 42.238 40.800 -0.087 0.000 1.120 99 D HN 0.280 nan 8.370 nan 0.000 0.482 100 P HA -0.076 nan 4.420 nan 0.000 0.220 100 P C 0.626 177.805 177.300 -0.203 0.000 1.148 100 P CA 0.676 63.647 63.100 -0.215 0.000 0.803 100 P CB 0.396 32.016 31.700 -0.134 0.000 0.782 101 D N -0.140 120.174 120.400 -0.143 0.000 2.077 101 D HA -0.131 4.509 4.640 -0.000 0.000 0.196 101 D C 1.890 178.111 176.300 -0.132 0.000 0.986 101 D CA 1.272 55.203 54.000 -0.115 0.000 0.829 101 D CB -0.798 39.955 40.800 -0.079 0.000 0.983 101 D HN 0.207 nan 8.370 nan 0.000 0.453 102 I N 0.184 120.675 120.570 -0.131 0.000 2.335 102 I HA -0.161 4.009 4.170 -0.000 0.000 0.251 102 I C 2.274 178.278 176.117 -0.188 0.000 1.129 102 I CA 1.433 62.660 61.300 -0.122 0.000 1.402 102 I CB -0.869 37.075 38.000 -0.093 0.000 1.069 102 I HN -0.117 nan 8.210 nan 0.000 0.424 103 A N 0.395 123.006 122.820 -0.348 0.000 1.883 103 A HA -0.307 4.013 4.320 -0.000 0.000 0.217 103 A C 2.492 179.864 177.584 -0.353 0.000 1.186 103 A CA 2.290 53.925 52.037 -0.672 0.000 0.624 103 A CB -0.964 17.297 19.000 -1.231 0.000 0.822 103 A HN 0.705 nan 8.150 nan 0.000 0.444 104 Q N -0.276 119.384 119.800 -0.233 0.000 1.990 104 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 104 Q C 1.976 177.938 176.000 -0.064 0.000 0.980 104 Q CA 2.175 57.912 55.803 -0.111 0.000 0.832 104 Q CB -0.307 28.376 28.738 -0.092 0.000 0.897 104 Q HN 0.359 nan 8.270 nan 0.000 0.427 105 V N 1.427 121.299 119.914 -0.069 0.000 2.370 105 V HA -0.354 3.766 4.120 -0.000 0.000 0.252 105 V C 2.378 178.459 176.094 -0.022 0.000 1.068 105 V CA 2.357 64.632 62.300 -0.042 0.000 1.061 105 V CB -0.775 31.021 31.823 -0.044 0.000 0.656 105 V HN 0.461 nan 8.190 nan 0.000 0.455 106 Q N -0.718 119.069 119.800 -0.021 0.000 1.990 106 Q HA -0.148 4.192 4.340 -0.000 0.000 0.200 106 Q C 2.433 178.463 176.000 0.050 0.000 0.980 106 Q CA 1.854 57.671 55.803 0.023 0.000 0.832 106 Q CB -0.401 28.371 28.738 0.055 0.000 0.897 106 Q HN 0.538 nan 8.270 nan 0.000 0.427 107 V N 1.588 121.549 119.914 0.078 0.000 2.250 107 V HA -0.370 3.750 4.120 -0.000 0.000 0.250 107 V C 2.341 178.456 176.094 0.035 0.000 1.060 107 V CA 2.099 64.448 62.300 0.083 0.000 1.030 107 V CB -0.751 31.134 31.823 0.103 0.000 0.643 107 V HN 0.431 nan 8.190 nan 0.000 0.445 108 Q N -0.307 119.503 119.800 0.015 0.000 2.029 108 Q HA -0.279 4.061 4.340 -0.000 0.000 0.209 108 Q C 2.250 178.252 176.000 0.003 0.000 0.999 108 Q CA 1.984 57.788 55.803 0.003 0.000 0.857 108 Q CB -0.447 28.287 28.738 -0.007 0.000 0.926 108 Q HN 0.659 nan 8.270 nan 0.000 0.415 109 N N 0.376 119.079 118.700 0.005 0.000 2.192 109 N HA -0.160 4.580 4.740 -0.000 0.000 0.188 109 N C 1.519 177.033 175.510 0.006 0.000 1.013 109 N CA 1.080 54.133 53.050 0.005 0.000 0.863 109 N CB -0.112 38.379 38.487 0.006 0.000 0.990 109 N HN 0.187 nan 8.380 nan 0.000 0.430 110 K N 0.948 121.356 120.400 0.012 0.000 2.062 110 K HA 0.063 4.383 4.320 -0.000 0.000 0.205 110 K C 2.216 178.816 176.600 -0.000 0.000 1.051 110 K CA 0.131 56.423 56.287 0.008 0.000 0.941 110 K CB -0.548 31.961 32.500 0.015 0.000 0.719 110 K HN 0.223 nan 8.250 nan 0.000 0.440 111 L N 1.462 122.685 121.223 -0.001 0.000 2.079 111 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 111 L C 1.781 178.644 176.870 -0.012 0.000 1.081 111 L CA 1.282 56.116 54.840 -0.009 0.000 0.752 111 L CB -0.323 41.731 42.059 -0.009 0.000 0.896 111 L HN 0.266 nan 8.230 nan 0.000 0.433 112 Q N -0.475 119.320 119.800 -0.008 0.000 2.576 112 Q HA -0.107 4.233 4.340 -0.000 0.000 0.219 112 Q C 1.189 177.183 176.000 -0.010 0.000 0.976 112 Q CA 0.545 56.343 55.803 -0.009 0.000 0.977 112 Q CB 0.068 28.802 28.738 -0.007 0.000 0.988 112 Q HN 0.558 nan 8.270 nan 0.000 0.555 113 L N -2.765 118.451 121.223 -0.011 0.000 3.154 113 L HA 0.260 4.600 4.340 -0.000 0.000 0.280 113 L C 1.590 178.450 176.870 -0.017 0.000 1.134 113 L CA 0.347 55.180 54.840 -0.012 0.000 1.037 113 L CB 0.269 42.323 42.059 -0.009 0.000 1.571 113 L HN 0.116 nan 8.230 nan 0.000 0.576 114 A N -0.496 122.312 122.820 -0.020 0.000 2.044 114 A HA 0.027 4.347 4.320 -0.000 0.000 0.213 114 A C 2.057 179.621 177.584 -0.034 0.000 1.169 114 A CA 1.326 53.347 52.037 -0.027 0.000 0.724 114 A CB -0.395 18.587 19.000 -0.029 0.000 0.840 114 A HN 0.220 nan 8.150 nan 0.000 0.463 115 T N 1.637 116.172 114.554 -0.031 0.000 2.624 115 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 115 T C -0.390 174.288 174.700 -0.037 0.000 1.041 115 T CA 2.191 64.269 62.100 -0.036 0.000 1.159 115 T CB -1.337 67.514 68.868 -0.028 0.000 0.863 115 T HN 0.366 nan 8.240 nan 0.000 0.434 116 P HA 0.045 nan 4.420 nan 0.000 0.226 116 P C 0.963 178.244 177.300 -0.032 0.000 1.146 116 P CA 0.827 63.911 63.100 -0.027 0.000 0.773 116 P CB -0.304 31.385 31.700 -0.019 0.000 0.772 117 L N -2.527 118.673 121.223 -0.038 0.000 2.592 117 L HA 0.133 4.473 4.340 -0.000 0.000 0.227 117 L C 0.994 177.827 176.870 -0.062 0.000 1.127 117 L CA -0.136 54.679 54.840 -0.043 0.000 0.884 117 L CB -0.315 41.720 42.059 -0.039 0.000 1.065 117 L HN -0.018 nan 8.230 nan 0.000 0.457 118 L N 0.406 121.585 121.223 -0.073 0.000 2.421 118 L HA 0.332 4.672 4.340 -0.000 0.000 0.263 118 L C -1.983 174.814 176.870 -0.122 0.000 1.122 118 L CA -2.007 52.765 54.840 -0.114 0.000 0.804 118 L CB 0.400 42.391 42.059 -0.114 0.000 1.150 118 L HN -0.232 nan 8.230 nan 0.000 0.457 119 P HA -0.026 nan 4.420 nan 0.000 0.264 119 P C -0.132 177.120 177.300 -0.080 0.000 1.183 119 P CA 0.152 63.152 63.100 -0.166 0.000 0.763 119 P CB 0.404 31.858 31.700 -0.409 0.000 0.807 120 Q N 1.713 121.502 119.800 -0.018 0.000 2.242 120 Q HA -0.270 4.070 4.340 -0.000 0.000 0.211 120 Q C 1.587 177.600 176.000 0.023 0.000 0.992 120 Q CA 1.530 57.335 55.803 0.005 0.000 0.889 120 Q CB -0.253 28.498 28.738 0.022 0.000 0.913 120 Q HN 0.543 nan 8.270 nan 0.000 0.422 121 E N 0.402 120.639 120.200 0.063 0.000 2.017 121 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 121 E C 2.302 178.942 176.600 0.067 0.000 0.997 121 E CA 1.242 57.711 56.400 0.116 0.000 0.804 121 E CB -0.750 29.136 29.700 0.310 0.000 0.757 121 E HN 0.216 nan 8.360 nan 0.000 0.448 122 V N 2.388 122.304 119.914 0.003 0.000 2.282 122 V HA -0.303 3.817 4.120 -0.000 0.000 0.249 122 V C 2.560 178.640 176.094 -0.023 0.000 1.057 122 V CA 2.180 64.462 62.300 -0.029 0.000 1.032 122 V CB -0.823 30.918 31.823 -0.137 0.000 0.645 122 V HN 0.290 nan 8.190 nan 0.000 0.447 123 Q N -0.356 119.424 119.800 -0.033 0.000 2.268 123 Q HA -0.267 4.073 4.340 -0.000 0.000 0.210 123 Q C 2.379 178.374 176.000 -0.009 0.000 0.988 123 Q CA 1.702 57.491 55.803 -0.023 0.000 0.883 123 Q CB -0.306 28.418 28.738 -0.023 0.000 0.911 123 Q HN 0.668 nan 8.270 nan 0.000 0.430 124 R N 0.626 121.127 120.500 0.003 0.000 2.056 124 R HA -0.100 4.240 4.340 -0.000 0.000 0.227 124 R C 2.358 178.659 176.300 0.002 0.000 1.149 124 R CA 1.111 57.215 56.100 0.007 0.000 0.937 124 R CB -0.368 29.943 30.300 0.019 0.000 0.835 124 R HN 0.273 nan 8.270 nan 0.000 0.430 125 Q N 0.143 119.948 119.800 0.007 0.000 2.103 125 Q HA -0.155 4.185 4.340 -0.000 0.000 0.213 125 Q C 0.412 176.406 176.000 -0.011 0.000 1.008 125 Q CA 1.619 57.422 55.803 0.000 0.000 0.879 125 Q CB -0.280 28.467 28.738 0.015 0.000 0.946 125 Q HN 0.612 nan 8.270 nan 0.000 0.413 126 G N 0.610 109.403 108.800 -0.011 0.000 3.380 126 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.685 126 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.685 126 G C -0.542 174.348 174.900 -0.016 0.000 1.136 126 G CA -0.478 44.613 45.100 -0.015 0.000 1.011 126 G HN 0.197 nan 8.290 nan 0.000 0.471 127 I N 2.423 122.982 120.570 -0.018 0.000 2.441 127 I HA 0.299 4.469 4.170 -0.000 0.000 0.287 127 I C 1.143 177.248 176.117 -0.019 0.000 1.049 127 I CA -0.406 60.883 61.300 -0.019 0.000 1.381 127 I CB 0.746 38.733 38.000 -0.022 0.000 1.409 127 I HN 0.392 nan 8.210 nan 0.000 0.523 128 R N 5.307 125.796 120.500 -0.020 0.000 2.265 128 R HA 0.562 4.902 4.340 -0.000 0.000 0.314 128 R C -0.946 175.341 176.300 -0.021 0.000 1.053 128 R CA -0.681 55.404 56.100 -0.024 0.000 0.931 128 R CB 1.256 31.538 30.300 -0.030 0.000 1.024 128 R HN 0.364 nan 8.270 nan 0.000 0.457 129 V N 2.671 122.572 119.914 -0.022 0.000 2.417 129 V HA 0.471 4.591 4.120 -0.000 0.000 0.291 129 V C -0.021 176.057 176.094 -0.027 0.000 1.024 129 V CA -0.243 62.046 62.300 -0.018 0.000 0.861 129 V CB 1.818 33.633 31.823 -0.013 0.000 0.985 129 V HN 0.880 nan 8.190 nan 0.000 0.436 130 T N 4.295 118.833 114.554 -0.025 0.000 2.885 130 T HA 0.356 4.706 4.350 -0.000 0.000 0.322 130 T C -1.093 173.589 174.700 -0.030 0.000 1.387 130 T CA -0.819 61.259 62.100 -0.036 0.000 1.041 130 T CB 1.460 70.297 68.868 -0.052 0.000 1.287 130 T HN 0.612 nan 8.240 nan 0.000 0.491 131 K N 2.555 122.932 120.400 -0.038 0.000 2.315 131 K HA 0.524 4.844 4.320 -0.000 0.000 0.291 131 K C 0.310 176.892 176.600 -0.030 0.000 1.074 131 K CA -0.324 55.943 56.287 -0.034 0.000 0.936 131 K CB 0.562 33.036 32.500 -0.043 0.000 1.049 131 K HN 0.648 nan 8.250 nan 0.000 0.471 132 A N 3.203 126.013 122.820 -0.017 0.000 2.524 132 A HA 0.192 4.512 4.320 -0.000 0.000 0.250 132 A C 0.015 177.579 177.584 -0.033 0.000 1.078 132 A CA -0.184 51.840 52.037 -0.021 0.000 0.761 132 A CB 0.237 19.237 19.000 -0.000 0.000 1.012 132 A HN 0.461 nan 8.150 nan 0.000 0.500 133 V N 3.539 123.417 119.914 -0.059 0.000 2.735 133 V HA 0.303 4.423 4.120 -0.000 0.000 0.310 133 V C 0.654 176.671 176.094 -0.128 0.000 1.061 133 V CA -0.665 61.591 62.300 -0.074 0.000 0.913 133 V CB 2.054 33.836 31.823 -0.068 0.000 1.005 133 V HN 1.027 nan 8.190 nan 0.000 0.428 134 K N 1.204 121.528 120.400 -0.127 0.000 2.379 134 K HA 0.174 4.494 4.320 -0.000 0.000 0.194 134 K C 0.400 176.850 176.600 -0.249 0.000 1.031 134 K CA 0.046 56.218 56.287 -0.193 0.000 1.037 134 K CB 0.128 32.530 32.500 -0.163 0.000 0.824 134 K HN 0.491 nan 8.250 nan 0.000 0.516 135 N N 0.438 119.042 118.700 -0.160 0.000 2.513 135 N HA 0.229 4.969 4.740 -0.000 0.000 0.274 135 N C -1.132 174.300 175.510 -0.130 0.000 1.189 135 N CA -0.037 52.983 53.050 -0.049 0.000 0.975 135 N CB 0.445 38.970 38.487 0.063 0.000 1.157 135 N HN -0.114 nan 8.380 nan 0.000 0.465 136 F N 1.724 121.859 119.950 0.308 0.000 2.449 136 F HA 0.327 4.854 4.527 -0.000 0.000 0.342 136 F C 1.365 177.388 175.800 0.371 0.000 1.127 136 F CA -0.727 57.469 58.000 0.326 0.000 0.975 136 F CB 1.512 40.736 39.000 0.373 0.000 1.146 136 F HN 0.326 nan 8.300 nan 0.000 0.444 137 L N 4.218 125.712 121.223 0.451 0.000 1.976 137 L HA -0.022 4.318 4.340 -0.000 0.000 0.209 137 L C 0.377 177.451 176.870 0.341 0.000 1.071 137 L CA 1.258 56.292 54.840 0.323 0.000 0.746 137 L CB 0.055 42.244 42.059 0.216 0.000 0.890 137 L HN 0.653 nan 8.230 nan 0.000 0.432 138 M N -1.819 117.980 119.600 0.331 0.000 2.660 138 M HA 0.243 4.723 4.480 -0.000 0.000 0.281 138 M C -1.985 174.398 176.300 0.139 0.000 1.131 138 M CA -0.619 54.860 55.300 0.298 0.000 0.858 138 M CB 1.395 34.086 32.600 0.152 0.000 1.732 138 M HN -0.298 nan 8.290 nan 0.000 0.516 139 V N 2.808 122.723 119.914 0.001 0.000 2.364 139 V HA 0.425 4.545 4.120 -0.000 0.000 0.272 139 V C -0.051 175.891 176.094 -0.254 0.000 1.036 139 V CA -0.640 61.497 62.300 -0.272 0.000 0.880 139 V CB 1.211 32.631 31.823 -0.671 0.000 0.991 139 V HN 0.619 nan 8.190 nan 0.000 0.460 140 V N 5.570 125.345 119.914 -0.231 0.000 2.389 140 V HA 0.620 4.740 4.120 -0.000 0.000 0.264 140 V C 0.877 176.753 176.094 -0.363 0.000 1.049 140 V CA 0.201 62.298 62.300 -0.338 0.000 0.932 140 V CB 0.938 32.613 31.823 -0.246 0.000 1.011 140 V HN 0.961 nan 8.190 nan 0.000 0.475 141 G N 3.601 112.128 108.800 -0.455 0.000 2.644 141 G HA2 0.735 4.695 3.960 -0.000 0.000 0.307 141 G HA3 0.735 4.695 3.960 -0.000 0.000 0.307 141 G C -1.399 173.337 174.900 -0.273 0.000 1.250 141 G CA -0.654 44.259 45.100 -0.310 0.000 0.996 141 G HN 0.523 nan 8.290 nan 0.000 0.489 142 V N -0.357 119.477 119.914 -0.133 0.000 2.777 142 V HA 0.493 4.613 4.120 -0.000 0.000 0.306 142 V C -0.553 175.524 176.094 -0.028 0.000 1.112 142 V CA -0.506 61.734 62.300 -0.099 0.000 0.917 142 V CB 1.924 33.714 31.823 -0.055 0.000 1.018 142 V HN 0.670 nan 8.190 nan 0.000 0.426 143 V N 2.512 122.416 119.914 -0.016 0.000 2.919 143 V HA 0.650 4.770 4.120 -0.000 0.000 0.316 143 V C 0.207 176.307 176.094 0.009 0.000 1.077 143 V CA -0.826 61.500 62.300 0.044 0.000 0.977 143 V CB 2.366 34.274 31.823 0.141 0.000 1.039 143 V HN 0.956 nan 8.190 nan 0.000 0.441 144 S N -0.309 115.399 115.700 0.014 0.000 2.411 144 S HA 0.152 4.622 4.470 -0.000 0.000 0.294 144 S C 0.820 175.425 174.600 0.008 0.000 1.115 144 S CA 0.242 58.439 58.200 -0.005 0.000 1.071 144 S CB 1.050 64.246 63.200 -0.006 0.000 0.967 144 S HN 0.912 nan 8.310 nan 0.000 0.488 145 T N 1.976 116.530 114.554 0.000 0.000 3.055 145 T HA -0.025 4.325 4.350 -0.000 0.000 0.265 145 T C 0.404 175.107 174.700 0.005 0.000 1.111 145 T CA 1.355 63.461 62.100 0.009 0.000 1.118 145 T CB -0.290 68.581 68.868 0.004 0.000 0.909 145 T HN 0.704 nan 8.240 nan 0.000 0.501 146 D N -0.019 120.381 120.400 -0.001 0.000 2.818 146 D HA 0.408 5.048 4.640 -0.000 0.000 0.250 146 D C 1.551 177.852 176.300 0.002 0.000 1.496 146 D CA 0.831 54.831 54.000 -0.000 0.000 1.192 146 D CB -0.407 40.392 40.800 -0.003 0.000 0.963 146 D HN 0.353 nan 8.370 nan 0.000 0.259 147 G N -0.575 108.225 108.800 0.001 0.000 4.260 147 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.204 147 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.204 147 G C 0.908 175.812 174.900 0.006 0.000 0.952 147 G CA 0.381 45.484 45.100 0.004 0.000 0.815 147 G HN 0.163 nan 8.290 nan 0.000 0.465 148 S N 1.044 116.745 115.700 0.001 0.000 2.400 148 S HA 0.084 4.554 4.470 -0.000 0.000 0.232 148 S C 1.153 175.758 174.600 0.008 0.000 1.025 148 S CA 0.864 59.065 58.200 0.003 0.000 0.993 148 S CB -0.147 63.048 63.200 -0.007 0.000 0.808 148 S HN 0.380 nan 8.310 nan 0.000 0.478 149 M N 0.706 120.306 119.600 0.000 0.000 2.598 149 M HA 0.482 4.962 4.480 -0.000 0.000 0.317 149 M C 0.070 176.379 176.300 0.015 0.000 1.179 149 M CA -0.249 55.054 55.300 0.006 0.000 0.936 149 M CB 1.244 33.829 32.600 -0.026 0.000 1.713 149 M HN -0.017 nan 8.290 nan 0.000 0.460 150 T N -0.365 114.206 114.554 0.029 0.000 2.889 150 T HA 0.363 4.713 4.350 -0.000 0.000 0.278 150 T C 1.054 175.765 174.700 0.018 0.000 0.995 150 T CA -0.445 61.673 62.100 0.030 0.000 0.966 150 T CB 1.181 70.080 68.868 0.052 0.000 1.237 150 T HN 0.719 nan 8.240 nan 0.000 0.591 151 K N 0.112 120.522 120.400 0.017 0.000 2.293 151 K HA -0.134 4.186 4.320 -0.000 0.000 0.204 151 K C 1.678 178.271 176.600 -0.013 0.000 1.045 151 K CA 1.832 58.122 56.287 0.005 0.000 0.933 151 K CB 0.057 32.563 32.500 0.009 0.000 0.736 151 K HN 0.600 nan 8.250 nan 0.000 0.463 152 E N -0.335 119.860 120.200 -0.008 0.000 2.330 152 E HA -0.033 4.317 4.350 -0.000 0.000 0.200 152 E C 1.226 177.771 176.600 -0.092 0.000 0.922 152 E CA 0.057 56.423 56.400 -0.056 0.000 0.935 152 E CB 0.254 29.948 29.700 -0.009 0.000 0.917 152 E HN 0.194 nan 8.360 nan 0.000 0.491 153 D N 1.622 122.021 120.400 -0.002 0.000 2.084 153 D HA -0.126 4.514 4.640 -0.000 0.000 0.194 153 D C 2.144 178.426 176.300 -0.030 0.000 0.990 153 D CA 1.012 55.025 54.000 0.021 0.000 0.826 153 D CB -0.081 40.763 40.800 0.073 0.000 0.971 153 D HN 0.119 nan 8.370 nan 0.000 0.453 154 L N 0.626 121.837 121.223 -0.021 0.000 2.005 154 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 154 L C 2.668 179.552 176.870 0.023 0.000 1.072 154 L CA 1.103 55.944 54.840 0.001 0.000 0.744 154 L CB -0.715 41.338 42.059 -0.010 0.000 0.895 154 L HN 0.006 nan 8.230 nan 0.000 0.433 155 S N 0.847 116.526 115.700 -0.035 0.000 2.389 155 S HA -0.247 4.223 4.470 -0.000 0.000 0.229 155 S C 1.710 176.226 174.600 -0.139 0.000 1.048 155 S CA 2.111 60.269 58.200 -0.069 0.000 1.117 155 S CB -0.451 62.699 63.200 -0.085 0.000 1.020 155 S HN 0.468 nan 8.310 nan 0.000 0.430 156 N N 0.002 118.536 118.700 -0.277 0.000 2.626 156 N HA -0.020 4.720 4.740 -0.000 0.000 0.193 156 N C 0.886 176.225 175.510 -0.285 0.000 1.213 156 N CA 0.683 53.462 53.050 -0.453 0.000 0.914 156 N CB -0.323 37.466 38.487 -1.163 0.000 0.994 156 N HN 0.747 nan 8.380 nan 0.000 0.447 157 Y N 1.051 121.212 120.300 -0.233 0.000 2.422 157 Y HA 0.167 4.717 4.550 0.000 0.000 0.291 157 Y C 2.108 177.942 175.900 -0.110 0.000 1.144 157 Y CA 0.266 58.288 58.100 -0.131 0.000 1.208 157 Y CB -0.092 38.319 38.460 -0.082 0.000 1.195 157 Y HN -0.031 nan 8.280 nan 0.000 0.535 158 I N -1.424 119.077 120.570 -0.115 0.000 2.315 158 I HA -0.100 4.070 4.170 -0.000 0.000 0.248 158 I C 1.391 177.345 176.117 -0.272 0.000 1.117 158 I CA 1.302 62.472 61.300 -0.216 0.000 1.404 158 I CB -1.037 36.909 38.000 -0.090 0.000 1.071 158 I HN 0.028 nan 8.210 nan 0.000 0.419 159 V N 2.050 121.830 119.914 -0.224 0.000 3.444 159 V HA -0.080 4.040 4.120 -0.000 0.000 0.271 159 V C 1.810 177.779 176.094 -0.208 0.000 1.188 159 V CA 1.571 63.742 62.300 -0.215 0.000 1.168 159 V CB -1.081 30.644 31.823 -0.163 0.000 0.810 159 V HN 0.768 nan 8.190 nan 0.000 0.500 160 S N -2.852 112.698 115.700 -0.250 0.000 2.684 160 S HA 0.189 4.659 4.470 -0.000 0.000 0.268 160 S C 1.160 175.607 174.600 -0.254 0.000 1.075 160 S CA -0.274 57.802 58.200 -0.208 0.000 1.184 160 S CB 0.126 63.236 63.200 -0.151 0.000 1.129 160 S HN 0.466 nan 8.310 nan 0.000 0.630 161 N N 1.358 119.822 118.700 -0.394 0.000 2.419 161 N HA 0.361 5.101 4.740 -0.000 0.000 0.216 161 N C 1.407 176.742 175.510 -0.292 0.000 1.118 161 N CA 1.141 53.951 53.050 -0.400 0.000 0.850 161 N CB 0.819 38.861 38.487 -0.743 0.000 1.292 161 N HN 0.628 nan 8.380 nan 0.000 0.467 162 I N -1.967 118.416 120.570 -0.312 0.000 4.312 162 I HA 0.190 4.360 4.170 -0.000 0.000 0.324 162 I C 2.127 178.109 176.117 -0.225 0.000 1.298 162 I CA 0.090 61.263 61.300 -0.212 0.000 1.231 162 I CB 0.246 38.143 38.000 -0.172 0.000 1.152 162 I HN -0.157 nan 8.210 nan 0.000 0.421 163 Q N 1.878 121.504 119.800 -0.289 0.000 2.002 163 Q HA -0.259 4.081 4.340 -0.000 0.000 0.204 163 Q C 1.537 177.319 176.000 -0.363 0.000 0.988 163 Q CA 2.803 58.362 55.803 -0.408 0.000 0.843 163 Q CB -0.075 28.387 28.738 -0.460 0.000 0.908 163 Q HN 0.525 nan 8.270 nan 0.000 0.420 164 D N -0.021 120.235 120.400 -0.241 0.000 2.123 164 D HA -0.130 4.510 4.640 -0.000 0.000 0.196 164 D C -0.947 175.295 176.300 -0.096 0.000 0.992 164 D CA 1.408 55.324 54.000 -0.140 0.000 0.833 164 D CB -1.241 39.505 40.800 -0.091 0.000 0.954 164 D HN 0.400 nan 8.370 nan 0.000 0.455 165 P HA -0.030 nan 4.420 nan 0.000 0.219 165 P C 1.593 178.861 177.300 -0.053 0.000 1.150 165 P CA 0.694 63.759 63.100 -0.058 0.000 0.814 165 P CB 0.105 31.774 31.700 -0.052 0.000 0.787 166 L N -0.398 120.770 121.223 -0.092 0.000 2.044 166 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 166 L C 2.486 179.344 176.870 -0.020 0.000 1.075 166 L CA 2.033 56.832 54.840 -0.068 0.000 0.747 166 L CB -1.320 40.667 42.059 -0.119 0.000 0.903 166 L HN 0.106 nan 8.230 nan 0.000 0.435 167 S N -0.090 115.583 115.700 -0.045 0.000 2.465 167 S HA -0.180 4.290 4.470 -0.000 0.000 0.241 167 S C 1.806 176.473 174.600 0.111 0.000 1.000 167 S CA 0.952 59.233 58.200 0.134 0.000 0.964 167 S CB -0.225 63.105 63.200 0.215 0.000 0.763 167 S HN 0.444 nan 8.310 nan 0.000 0.512 168 R N 0.159 120.687 120.500 0.046 0.000 2.476 168 R HA 0.201 4.541 4.340 -0.000 0.000 0.276 168 R C 0.282 176.598 176.300 0.027 0.000 0.941 168 R CA 0.250 56.373 56.100 0.038 0.000 1.088 168 R CB 0.558 30.872 30.300 0.024 0.000 1.216 168 R HN 0.396 nan 8.270 nan 0.000 0.533 169 T N 1.246 115.815 114.554 0.025 0.000 2.884 169 T HA 0.132 4.482 4.350 -0.000 0.000 0.298 169 T C -0.007 174.710 174.700 0.029 0.000 0.998 169 T CA -0.342 61.771 62.100 0.021 0.000 1.124 169 T CB 0.615 69.493 68.868 0.016 0.000 0.931 169 T HN -0.057 nan 8.240 nan 0.000 0.531 170 K N 3.353 123.767 120.400 0.023 0.000 2.504 170 K HA 0.313 4.633 4.320 -0.000 0.000 0.278 170 K C 1.441 178.058 176.600 0.029 0.000 1.025 170 K CA 1.347 57.648 56.287 0.023 0.000 1.093 170 K CB -0.069 32.441 32.500 0.017 0.000 0.873 170 K HN 0.930 nan 8.250 nan 0.000 0.483 171 G N 1.204 110.023 108.800 0.032 0.000 2.284 171 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 171 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 171 G C 0.003 174.934 174.900 0.052 0.000 1.009 171 G CA -0.211 44.911 45.100 0.038 0.000 0.625 171 G HN 0.448 nan 8.290 nan 0.000 0.501 172 V N 2.436 122.386 119.914 0.060 0.000 2.485 172 V HA 0.526 4.646 4.120 -0.000 0.000 0.287 172 V C 1.540 177.683 176.094 0.082 0.000 1.022 172 V CA 1.033 63.383 62.300 0.084 0.000 1.067 172 V CB 0.721 32.601 31.823 0.095 0.000 0.967 172 V HN 0.699 nan 8.190 nan 0.000 0.479 173 G N 3.626 112.475 108.800 0.081 0.000 3.223 173 G HA2 0.143 4.103 3.960 -0.000 0.000 0.198 173 G HA3 0.143 4.103 3.960 -0.000 0.000 0.198 173 G C -0.312 174.610 174.900 0.036 0.000 1.980 173 G CA -0.290 44.839 45.100 0.047 0.000 0.828 173 G HN 0.618 nan 8.290 nan 0.000 0.680 174 D N 0.299 120.697 120.400 -0.003 0.000 2.390 174 D HA 0.427 5.067 4.640 -0.000 0.000 0.249 174 D C -0.074 176.248 176.300 0.037 0.000 1.144 174 D CA 0.001 53.954 54.000 -0.077 0.000 0.880 174 D CB 0.420 41.175 40.800 -0.076 0.000 1.182 174 D HN 0.178 nan 8.370 nan 0.000 0.451 175 F N 0.505 120.477 119.950 0.037 0.000 2.613 175 F HA 0.685 5.212 4.527 -0.000 0.000 0.342 175 F C -0.676 175.117 175.800 -0.011 0.000 1.066 175 F CA -0.986 57.029 58.000 0.025 0.000 1.002 175 F CB 1.321 40.306 39.000 -0.025 0.000 1.319 175 F HN 0.043 nan 8.300 nan 0.000 0.495 176 Q N 2.200 122.190 119.800 0.317 0.000 2.418 176 Q HA 0.296 4.636 4.340 -0.000 0.000 0.240 176 Q C -1.973 173.813 176.000 -0.356 0.000 0.859 176 Q CA -0.390 55.408 55.803 -0.008 0.000 0.916 176 Q CB 2.617 31.304 28.738 -0.085 0.000 1.448 176 Q HN 0.780 nan 8.270 nan 0.000 0.439 177 V N 4.152 123.919 119.914 -0.244 0.000 2.546 177 V HA 0.393 4.513 4.120 -0.000 0.000 0.284 177 V C 0.173 176.016 176.094 -0.419 0.000 1.050 177 V CA -0.128 61.985 62.300 -0.311 0.000 0.981 177 V CB 0.518 32.256 31.823 -0.141 0.000 0.990 177 V HN 0.603 nan 8.190 nan 0.000 0.474 178 F N 3.893 123.775 119.950 -0.113 0.000 2.541 178 F HA 0.642 5.169 4.527 0.000 0.000 0.351 178 F C 1.049 176.818 175.800 -0.051 0.000 1.209 178 F CA 0.402 58.354 58.000 -0.081 0.000 1.277 178 F CB 0.522 39.521 39.000 -0.001 0.000 1.632 178 F HN 0.855 nan 8.300 nan 0.000 0.619 179 G N 0.538 109.380 108.800 0.070 0.000 2.351 179 G HA2 0.259 4.219 3.960 -0.000 0.000 0.353 179 G HA3 0.259 4.219 3.960 -0.000 0.000 0.353 179 G C -1.132 173.734 174.900 -0.057 0.000 1.358 179 G CA -0.612 44.488 45.100 -0.000 0.000 0.995 179 G HN 0.551 nan 8.290 nan 0.000 0.611 180 S N -1.116 114.519 115.700 -0.108 0.000 2.786 180 S HA 0.821 5.291 4.470 -0.000 0.000 0.307 180 S C 0.096 174.608 174.600 -0.147 0.000 1.121 180 S CA -0.224 57.906 58.200 -0.118 0.000 0.975 180 S CB 2.060 65.173 63.200 -0.145 0.000 1.220 180 S HN 1.005 nan 8.310 nan 0.000 0.550 181 Q N -1.012 118.720 119.800 -0.114 0.000 2.169 181 Q HA 0.399 4.739 4.340 -0.000 0.000 0.234 181 Q C -1.263 174.696 176.000 -0.069 0.000 0.980 181 Q CA -0.833 54.900 55.803 -0.117 0.000 0.941 181 Q CB 0.793 29.501 28.738 -0.050 0.000 1.199 181 Q HN 0.761 nan 8.270 nan 0.000 0.496 182 Y N 0.171 120.474 120.300 0.005 0.000 2.397 182 Y HA 0.125 4.675 4.550 -0.000 0.000 0.335 182 Y C -0.034 175.936 175.900 0.118 0.000 1.213 182 Y CA 0.010 58.146 58.100 0.059 0.000 1.391 182 Y CB 1.156 39.673 38.460 0.096 0.000 1.293 182 Y HN 0.452 nan 8.280 nan 0.000 0.557 183 S N 3.172 119.114 115.700 0.404 0.000 2.536 183 S HA 0.286 4.756 4.470 -0.000 0.000 0.271 183 S C -0.874 173.886 174.600 0.266 0.000 1.134 183 S CA -1.035 57.404 58.200 0.398 0.000 0.897 183 S CB 1.504 64.862 63.200 0.263 0.000 1.094 183 S HN 0.440 nan 8.310 nan 0.000 0.473 184 M N 3.350 123.032 119.600 0.137 0.000 2.685 184 M HA 0.194 4.674 4.480 -0.000 0.000 0.316 184 M C -0.129 175.968 176.300 -0.337 0.000 1.523 184 M CA 0.285 55.310 55.300 -0.459 0.000 1.472 184 M CB -0.990 30.829 32.600 -1.301 0.000 1.525 184 M HN 0.400 nan 8.290 nan 0.000 0.471 185 R N 4.488 124.820 120.500 -0.279 0.000 2.202 185 R HA 0.486 4.826 4.340 -0.000 0.000 0.334 185 R C -0.263 175.574 176.300 -0.772 0.000 1.036 185 R CA -0.296 55.493 56.100 -0.517 0.000 0.878 185 R CB 0.518 30.549 30.300 -0.448 0.000 1.067 185 R HN 0.693 nan 8.270 nan 0.000 0.457 186 I N -0.165 119.939 120.570 -0.776 0.000 2.382 186 I HA 0.456 4.626 4.170 -0.000 0.000 0.286 186 I C -0.994 174.812 176.117 -0.518 0.000 1.002 186 I CA -1.107 59.854 61.300 -0.565 0.000 1.135 186 I CB 1.147 38.957 38.000 -0.317 0.000 1.288 186 I HN 0.360 nan 8.210 nan 0.000 0.448 187 W N 6.851 128.140 121.300 -0.018 0.000 2.311 187 W HA 0.565 5.225 4.660 0.000 0.000 0.317 187 W C -0.159 176.366 176.519 0.010 0.000 1.065 187 W CA -0.716 56.626 57.345 -0.006 0.000 1.364 187 W CB 0.721 30.167 29.460 -0.023 0.000 1.233 187 W HN 0.335 nan 8.180 nan 0.000 0.409 188 L N 3.391 124.747 121.223 0.222 0.000 2.483 188 L HA 0.076 4.416 4.340 -0.000 0.000 0.275 188 L C 0.283 177.256 176.870 0.172 0.000 1.220 188 L CA 0.453 55.412 54.840 0.198 0.000 0.833 188 L CB 0.366 42.591 42.059 0.276 0.000 1.102 188 L HN 0.335 nan 8.230 nan 0.000 0.490 189 D N 1.999 122.429 120.400 0.051 0.000 2.549 189 D HA 0.294 4.934 4.640 -0.000 0.000 0.251 189 D C -1.972 174.185 176.300 -0.239 0.000 1.153 189 D CA -2.036 51.903 54.000 -0.102 0.000 0.861 189 D CB 2.200 42.966 40.800 -0.056 0.000 1.207 189 D HN 0.044 nan 8.370 nan 0.000 0.543 190 P HA -0.073 nan 4.420 nan 0.000 0.216 190 P C 0.993 178.124 177.300 -0.283 0.000 1.153 190 P CA 1.358 64.025 63.100 -0.722 0.000 0.848 190 P CB 0.275 31.175 31.700 -1.335 0.000 0.787 191 A N 0.486 123.161 122.820 -0.242 0.000 1.858 191 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 191 A C 2.026 179.569 177.584 -0.067 0.000 1.190 191 A CA 1.736 53.688 52.037 -0.141 0.000 0.617 191 A CB -1.292 17.637 19.000 -0.119 0.000 0.827 191 A HN 0.123 nan 8.150 nan 0.000 0.443 192 K N -0.500 119.885 120.400 -0.025 0.000 2.585 192 K HA 0.012 4.332 4.320 -0.000 0.000 0.194 192 K C 1.414 178.113 176.600 0.165 0.000 1.037 192 K CA 0.550 56.893 56.287 0.094 0.000 0.964 192 K CB -0.306 32.229 32.500 0.057 0.000 0.787 192 K HN 0.494 nan 8.250 nan 0.000 0.488 193 L N -0.042 121.225 121.223 0.073 0.000 2.189 193 L HA -0.068 4.272 4.340 -0.000 0.000 0.199 193 L C 1.898 178.828 176.870 0.100 0.000 1.074 193 L CA 0.454 55.358 54.840 0.105 0.000 0.783 193 L CB -0.294 41.822 42.059 0.094 0.000 0.955 193 L HN 0.072 nan 8.230 nan 0.000 0.460 194 N N 0.315 119.005 118.700 -0.017 0.000 2.094 194 N HA -0.182 4.558 4.740 -0.000 0.000 0.191 194 N C 1.850 177.305 175.510 -0.091 0.000 1.023 194 N CA 1.793 54.771 53.050 -0.120 0.000 0.857 194 N CB -0.309 37.975 38.487 -0.337 0.000 1.013 194 N HN 0.305 nan 8.380 nan 0.000 0.426 195 S N -1.163 114.489 115.700 -0.079 0.000 2.641 195 S HA -0.069 4.401 4.470 -0.000 0.000 0.239 195 S C 0.566 174.858 174.600 -0.513 0.000 0.972 195 S CA 0.621 58.670 58.200 -0.251 0.000 0.954 195 S CB -0.403 62.645 63.200 -0.252 0.000 0.767 195 S HN 0.419 nan 8.310 nan 0.000 0.539 196 Y N 0.004 120.276 120.300 -0.047 0.000 2.729 196 Y HA 0.324 4.874 4.550 0.000 0.000 0.266 196 Y C 0.739 176.626 175.900 -0.021 0.000 1.064 196 Y CA -0.772 57.311 58.100 -0.029 0.000 1.251 196 Y CB -0.116 38.333 38.460 -0.019 0.000 1.379 196 Y HN 0.181 nan 8.280 nan 0.000 0.569 197 Q N -0.234 119.620 119.800 0.090 0.000 2.416 197 Q HA -0.213 4.127 4.340 -0.000 0.000 0.235 197 Q C -0.362 175.687 176.000 0.082 0.000 0.773 197 Q CA 0.715 56.551 55.803 0.055 0.000 1.286 197 Q CB -1.984 26.774 28.738 0.033 0.000 1.556 197 Q HN 0.427 nan 8.270 nan 0.000 0.650 198 L N 0.772 122.061 121.223 0.111 0.000 2.371 198 L HA 0.328 4.668 4.340 -0.000 0.000 0.272 198 L C 0.747 177.680 176.870 0.106 0.000 1.124 198 L CA 0.247 55.141 54.840 0.091 0.000 0.816 198 L CB 1.225 43.325 42.059 0.068 0.000 1.129 198 L HN -0.038 nan 8.230 nan 0.000 0.448 199 T N 2.556 117.168 114.554 0.097 0.000 2.895 199 T HA 0.327 4.677 4.350 -0.000 0.000 0.283 199 T C -1.766 172.998 174.700 0.108 0.000 1.014 199 T CA -1.975 60.200 62.100 0.124 0.000 1.037 199 T CB 1.695 70.626 68.868 0.105 0.000 1.006 199 T HN 0.305 nan 8.240 nan 0.000 0.468 200 P HA -0.079 nan 4.420 nan 0.000 0.217 200 P C 1.486 178.811 177.300 0.042 0.000 1.151 200 P CA 1.257 64.414 63.100 0.095 0.000 0.849 200 P CB -0.127 31.614 31.700 0.068 0.000 0.787 201 G N 0.126 108.951 108.800 0.041 0.000 2.446 201 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 201 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 201 G C 1.170 176.079 174.900 0.015 0.000 1.168 201 G CA 1.117 46.230 45.100 0.022 0.000 0.771 201 G HN 0.193 nan 8.290 nan 0.000 0.551 202 D N 0.277 120.691 120.400 0.024 0.000 2.190 202 D HA -0.110 4.530 4.640 -0.000 0.000 0.200 202 D C 2.702 179.004 176.300 0.003 0.000 0.992 202 D CA 0.870 54.879 54.000 0.015 0.000 0.854 202 D CB -0.414 40.400 40.800 0.022 0.000 0.936 202 D HN 0.273 nan 8.370 nan 0.000 0.462 203 V N 1.163 121.080 119.914 0.004 0.000 2.358 203 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 203 V C 2.664 178.746 176.094 -0.021 0.000 1.047 203 V CA 1.955 64.250 62.300 -0.010 0.000 1.035 203 V CB -0.714 31.106 31.823 -0.004 0.000 0.658 203 V HN 0.292 nan 8.190 nan 0.000 0.452 204 S N 1.375 117.060 115.700 -0.025 0.000 2.357 204 S HA -0.182 4.288 4.470 -0.000 0.000 0.221 204 S C 2.205 176.787 174.600 -0.031 0.000 1.031 204 S CA 1.445 59.620 58.200 -0.041 0.000 0.982 204 S CB -0.819 62.352 63.200 -0.048 0.000 0.853 204 S HN 0.699 nan 8.310 nan 0.000 0.458 205 S N 3.045 118.734 115.700 -0.018 0.000 2.402 205 S HA -0.082 4.388 4.470 -0.000 0.000 0.233 205 S C 2.058 176.650 174.600 -0.014 0.000 1.030 205 S CA 1.136 59.328 58.200 -0.013 0.000 1.003 205 S CB -1.154 62.043 63.200 -0.005 0.000 0.813 205 S HN 0.872 nan 8.310 nan 0.000 0.477 206 A N 2.402 125.214 122.820 -0.014 0.000 1.855 206 A HA 0.122 4.442 4.320 -0.000 0.000 0.215 206 A C 2.257 179.833 177.584 -0.013 0.000 1.191 206 A CA 1.385 53.414 52.037 -0.014 0.000 0.613 206 A CB -0.895 18.095 19.000 -0.016 0.000 0.829 206 A HN 0.558 nan 8.150 nan 0.000 0.442 207 I N -0.200 120.365 120.570 -0.009 0.000 2.194 207 I HA -0.349 3.821 4.170 -0.000 0.000 0.246 207 I C 2.355 178.471 176.117 -0.002 0.000 1.093 207 I CA 1.648 62.954 61.300 0.009 0.000 1.355 207 I CB -0.642 37.362 38.000 0.007 0.000 1.046 207 I HN 0.443 nan 8.210 nan 0.000 0.413 208 Q N 0.325 120.113 119.800 -0.020 0.000 2.541 208 Q HA -0.006 4.334 4.340 -0.000 0.000 0.215 208 Q C 1.718 177.709 176.000 -0.014 0.000 0.977 208 Q CA 0.918 56.708 55.803 -0.022 0.000 0.934 208 Q CB 0.071 28.793 28.738 -0.027 0.000 0.988 208 Q HN 0.628 nan 8.270 nan 0.000 0.521 209 A N -0.518 122.294 122.820 -0.014 0.000 2.340 209 A HA 0.094 4.414 4.320 -0.000 0.000 0.213 209 A C 1.377 178.948 177.584 -0.022 0.000 1.299 209 A CA -0.089 51.939 52.037 -0.016 0.000 0.994 209 A CB 0.601 19.593 19.000 -0.014 0.000 1.132 209 A HN 0.157 nan 8.150 nan 0.000 0.519 210 Q N -0.733 119.050 119.800 -0.027 0.000 2.217 210 Q HA 0.156 4.496 4.340 -0.000 0.000 0.217 210 Q C -0.275 175.683 176.000 -0.069 0.000 0.844 210 Q CA -0.090 55.685 55.803 -0.048 0.000 0.957 210 Q CB 0.507 29.214 28.738 -0.053 0.000 1.127 210 Q HN 0.403 nan 8.270 nan 0.000 0.503 211 N N 0.791 119.468 118.700 -0.039 0.000 2.918 211 N HA 0.229 4.969 4.740 -0.000 0.000 0.270 211 N C -1.763 173.746 175.510 -0.000 0.000 1.536 211 N CA -0.055 52.974 53.050 -0.034 0.000 0.877 211 N CB 0.841 39.359 38.487 0.053 0.000 1.190 211 N HN -0.194 nan 8.380 nan 0.000 0.492 212 V N 0.790 120.695 119.914 -0.015 0.000 3.007 212 V HA 0.471 4.591 4.120 -0.000 0.000 0.311 212 V C -0.551 175.542 176.094 -0.003 0.000 1.120 212 V CA -0.941 61.358 62.300 -0.002 0.000 0.980 212 V CB 2.405 34.224 31.823 -0.007 0.000 1.033 212 V HN 0.240 nan 8.190 nan 0.000 0.429 213 Q N 3.286 123.090 119.800 0.006 0.000 2.431 213 Q HA 0.472 4.812 4.340 -0.000 0.000 0.249 213 Q C -0.735 175.266 176.000 0.002 0.000 1.025 213 Q CA -0.401 55.404 55.803 0.004 0.000 0.835 213 Q CB 1.925 30.669 28.738 0.011 0.000 1.207 213 Q HN 0.788 nan 8.270 nan 0.000 0.490 214 I N -0.740 119.828 120.570 -0.003 0.000 2.566 214 I HA 0.345 4.515 4.170 -0.000 0.000 0.303 214 I C 0.436 176.552 176.117 -0.002 0.000 0.983 214 I CA -0.451 60.848 61.300 -0.002 0.000 1.235 214 I CB 1.489 39.486 38.000 -0.006 0.000 1.386 214 I HN 0.275 nan 8.210 nan 0.000 0.494 215 S N 2.986 118.686 115.700 -0.001 0.000 3.483 215 S HA 0.402 4.872 4.470 -0.000 0.000 0.274 215 S C 0.100 174.698 174.600 -0.002 0.000 1.289 215 S CA -0.538 57.661 58.200 -0.001 0.000 0.938 215 S CB -1.343 61.858 63.200 0.001 0.000 1.453 215 S HN 0.804 nan 8.310 nan 0.000 0.494 216 S N 2.517 118.215 115.700 -0.003 0.000 2.537 216 S HA 0.654 5.124 4.470 -0.000 0.000 0.275 216 S C 1.074 175.672 174.600 -0.004 0.000 1.272 216 S CA -0.510 57.687 58.200 -0.004 0.000 1.050 216 S CB 1.103 64.299 63.200 -0.006 0.000 0.961 216 S HN 0.723 nan 8.310 nan 0.000 0.496 217 G N 1.541 110.339 108.800 -0.003 0.000 2.679 217 G HA2 0.386 4.346 3.960 -0.000 0.000 0.158 217 G HA3 0.386 4.346 3.960 -0.000 0.000 0.158 217 G C -0.151 174.747 174.900 -0.003 0.000 1.702 217 G CA 0.061 45.159 45.100 -0.003 0.000 1.041 217 G HN 0.995 nan 8.290 nan 0.000 0.507 218 Q N -1.723 118.075 119.800 -0.003 0.000 2.472 218 Q HA 0.501 4.841 4.340 -0.000 0.000 0.281 218 Q C -1.471 174.527 176.000 -0.003 0.000 0.997 218 Q CA -0.910 54.891 55.803 -0.003 0.000 0.828 218 Q CB 1.327 30.063 28.738 -0.003 0.000 1.443 218 Q HN 0.344 nan 8.270 nan 0.000 0.390 219 L N 1.858 123.079 121.223 -0.003 0.000 2.410 219 L HA 0.425 4.765 4.340 -0.000 0.000 0.273 219 L C 1.186 178.055 176.870 -0.003 0.000 1.144 219 L CA 1.075 55.913 54.840 -0.003 0.000 0.863 219 L CB 0.309 42.365 42.059 -0.004 0.000 1.140 219 L HN 1.145 nan 8.230 nan 0.000 0.463 220 G N 2.260 111.058 108.800 -0.003 0.000 2.143 220 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.249 220 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.249 220 G C 0.578 175.477 174.900 -0.002 0.000 0.981 220 G CA -0.131 44.968 45.100 -0.002 0.000 0.665 220 G HN 0.999 nan 8.290 nan 0.000 0.528 221 G N -0.648 108.151 108.800 -0.002 0.000 2.614 221 G HA2 0.476 4.436 3.960 -0.000 0.000 0.239 221 G HA3 0.476 4.436 3.960 -0.000 0.000 0.239 221 G C 0.494 175.393 174.900 -0.002 0.000 1.240 221 G CA -0.297 44.802 45.100 -0.002 0.000 0.842 221 G HN 0.685 nan 8.290 nan 0.000 0.584 222 L N 1.413 122.635 121.223 -0.002 0.000 2.375 222 L HA 0.283 4.623 4.340 -0.000 0.000 0.271 222 L C -1.475 175.394 176.870 -0.001 0.000 1.107 222 L CA -1.508 53.331 54.840 -0.001 0.000 0.806 222 L CB 0.857 42.915 42.059 -0.001 0.000 1.146 222 L HN 0.384 nan 8.230 nan 0.000 0.447 223 P HA 0.415 nan 4.420 nan 0.000 0.275 223 P C -0.987 176.312 177.300 -0.001 0.000 1.228 223 P CA -0.383 62.716 63.100 -0.001 0.000 0.786 223 P CB 1.107 32.806 31.700 -0.001 0.000 0.927 224 A N 1.550 124.369 122.820 -0.001 0.000 2.346 224 A HA 0.631 4.951 4.320 -0.000 0.000 0.313 224 A C -0.618 176.966 177.584 -0.001 0.000 1.140 224 A CA -0.719 51.317 52.037 -0.001 0.000 0.826 224 A CB 0.986 19.985 19.000 -0.002 0.000 1.332 224 A HN 0.360 nan 8.150 nan 0.000 0.457 225 V N 1.700 121.614 119.914 -0.002 0.000 2.607 225 V HA 0.152 4.272 4.120 -0.000 0.000 0.289 225 V C 0.547 176.641 176.094 -0.001 0.000 1.053 225 V CA -0.594 61.705 62.300 -0.001 0.000 0.996 225 V CB 1.161 32.983 31.823 -0.002 0.000 0.995 225 V HN 0.836 nan 8.190 nan 0.000 0.476 226 K N 2.960 123.360 120.400 -0.001 0.000 2.504 226 K HA 0.170 4.490 4.320 -0.000 0.000 0.278 226 K C 1.288 177.887 176.600 -0.001 0.000 1.025 226 K CA 1.095 57.382 56.287 -0.001 0.000 1.093 226 K CB 0.003 32.503 32.500 -0.001 0.000 0.873 226 K HN 1.146 nan 8.250 nan 0.000 0.483 227 G N 1.755 110.554 108.800 -0.001 0.000 2.241 227 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.244 227 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.244 227 G C 0.158 175.057 174.900 -0.002 0.000 0.998 227 G CA -0.275 44.824 45.100 -0.001 0.000 0.621 227 G HN 0.565 nan 8.290 nan 0.000 0.519 228 Q N 0.715 120.514 119.800 -0.002 0.000 2.269 228 Q HA 0.179 4.519 4.340 -0.000 0.000 0.300 228 Q C 1.094 177.093 176.000 -0.002 0.000 1.070 228 Q CA 1.027 56.829 55.803 -0.002 0.000 0.957 228 Q CB 0.509 29.246 28.738 -0.002 0.000 1.131 228 Q HN 0.751 nan 8.270 nan 0.000 0.377 229 Q N 2.877 122.676 119.800 -0.002 0.000 2.164 229 Q HA 0.219 4.559 4.340 -0.000 0.000 0.226 229 Q C -0.233 175.766 176.000 -0.002 0.000 0.813 229 Q CA -0.146 55.656 55.803 -0.002 0.000 0.978 229 Q CB 0.842 29.579 28.738 -0.002 0.000 1.149 229 Q HN 0.524 nan 8.270 nan 0.000 0.489 230 L N 1.073 122.295 121.223 -0.002 0.000 2.295 230 L HA 0.581 4.921 4.340 -0.000 0.000 0.285 230 L C -1.122 175.746 176.870 -0.003 0.000 1.035 230 L CA -0.483 54.356 54.840 -0.003 0.000 0.806 230 L CB 1.179 43.236 42.059 -0.003 0.000 1.214 230 L HN -0.128 nan 8.230 nan 0.000 0.426 231 N N 4.170 122.868 118.700 -0.003 0.000 2.430 231 N HA 0.836 5.576 4.740 -0.000 0.000 0.290 231 N C -1.734 173.775 175.510 -0.003 0.000 1.063 231 N CA 0.052 53.100 53.050 -0.003 0.000 0.883 231 N CB 2.208 40.693 38.487 -0.002 0.000 1.465 231 N HN 0.974 nan 8.380 nan 0.000 0.493 232 A N 1.488 124.306 122.820 -0.003 0.000 2.604 232 A HA 0.588 4.908 4.320 -0.000 0.000 0.295 232 A C -0.799 176.782 177.584 -0.004 0.000 1.067 232 A CA -0.740 51.295 52.037 -0.003 0.000 0.683 232 A CB 0.723 19.721 19.000 -0.004 0.000 1.281 232 A HN 0.661 nan 8.150 nan 0.000 0.407 233 T N 0.798 115.349 114.554 -0.004 0.000 2.727 233 T HA 0.487 4.837 4.350 -0.000 0.000 0.295 233 T C 0.482 175.179 174.700 -0.004 0.000 0.915 233 T CA -0.255 61.843 62.100 -0.004 0.000 1.066 233 T CB -0.447 68.419 68.868 -0.004 0.000 0.891 233 T HN 1.254 nan 8.240 nan 0.000 0.516 234 I N 3.661 124.228 120.570 -0.005 0.000 2.598 234 I HA 0.434 4.604 4.170 -0.000 0.000 0.284 234 I C 0.006 176.120 176.117 -0.006 0.000 1.140 234 I CA -0.715 60.582 61.300 -0.005 0.000 1.420 234 I CB 0.253 38.250 38.000 -0.005 0.000 1.387 234 I HN 0.808 nan 8.210 nan 0.000 0.553 235 I N 5.629 126.195 120.570 -0.007 0.000 2.378 235 I HA 0.836 5.006 4.170 -0.000 0.000 0.291 235 I C 0.091 176.202 176.117 -0.010 0.000 0.992 235 I CA -0.292 61.004 61.300 -0.008 0.000 1.154 235 I CB 1.604 39.600 38.000 -0.007 0.000 1.315 235 I HN 0.777 nan 8.210 nan 0.000 0.448 236 G N 5.889 114.683 108.800 -0.010 0.000 3.407 236 G HA2 0.299 4.259 3.960 -0.000 0.000 0.187 236 G HA3 0.299 4.259 3.960 -0.000 0.000 0.187 236 G C -0.562 174.328 174.900 -0.016 0.000 1.262 236 G CA -0.699 44.393 45.100 -0.013 0.000 0.808 236 G HN 0.535 nan 8.290 nan 0.000 0.687 237 K N 1.102 121.492 120.400 -0.018 0.000 2.550 237 K HA 0.208 4.528 4.320 -0.000 0.000 0.280 237 K C 0.115 176.703 176.600 -0.020 0.000 0.987 237 K CA 0.515 56.788 56.287 -0.023 0.000 1.048 237 K CB 0.615 33.102 32.500 -0.022 0.000 0.879 237 K HN 0.607 nan 8.250 nan 0.000 0.491 238 T N 1.403 115.941 114.554 -0.028 0.000 2.883 238 T HA 0.376 4.726 4.350 -0.000 0.000 0.296 238 T C -0.544 174.139 174.700 -0.029 0.000 1.117 238 T CA -0.942 61.145 62.100 -0.021 0.000 1.006 238 T CB 1.287 70.143 68.868 -0.019 0.000 1.191 238 T HN 0.510 nan 8.240 nan 0.000 0.508 239 R N 2.072 122.569 120.500 -0.005 0.000 2.347 239 R HA 0.381 4.721 4.340 -0.000 0.000 0.304 239 R C -0.010 176.277 176.300 -0.022 0.000 1.072 239 R CA -0.384 55.723 56.100 0.010 0.000 0.980 239 R CB 0.255 30.600 30.300 0.075 0.000 0.986 239 R HN 0.543 nan 8.270 nan 0.000 0.448 240 L N 3.758 124.899 121.223 -0.137 0.000 2.453 240 L HA -0.009 4.331 4.340 -0.000 0.000 0.272 240 L C 1.230 178.049 176.870 -0.086 0.000 1.182 240 L CA 0.167 54.830 54.840 -0.296 0.000 0.858 240 L CB 0.391 41.956 42.059 -0.823 0.000 1.120 240 L HN 0.660 nan 8.230 nan 0.000 0.474 241 Q N 0.958 120.756 119.800 -0.003 0.000 2.389 241 Q HA 0.067 4.407 4.340 -0.000 0.000 0.198 241 Q C 0.741 176.850 176.000 0.181 0.000 0.967 241 Q CA 0.187 56.110 55.803 0.201 0.000 0.863 241 Q CB 0.148 28.972 28.738 0.144 0.000 0.987 241 Q HN 0.739 nan 8.270 nan 0.000 0.557 242 T N 0.168 114.760 114.554 0.064 0.000 2.926 242 T HA 0.195 4.545 4.350 -0.000 0.000 0.307 242 T C 1.111 175.861 174.700 0.084 0.000 1.059 242 T CA 0.371 62.504 62.100 0.055 0.000 1.122 242 T CB 1.053 69.930 68.868 0.015 0.000 0.972 242 T HN 0.344 nan 8.240 nan 0.000 0.545 243 A N 3.768 126.629 122.820 0.068 0.000 1.986 243 A HA -0.109 4.211 4.320 -0.000 0.000 0.220 243 A C 2.110 179.757 177.584 0.105 0.000 1.171 243 A CA 1.956 54.045 52.037 0.087 0.000 0.640 243 A CB -0.568 18.425 19.000 -0.011 0.000 0.811 243 A HN 0.982 nan 8.150 nan 0.000 0.451 244 E N -0.350 119.872 120.200 0.036 0.000 2.077 244 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 244 E C 2.135 178.717 176.600 -0.029 0.000 0.989 244 E CA 1.346 57.749 56.400 0.005 0.000 0.800 244 E CB -0.270 29.423 29.700 -0.011 0.000 0.746 244 E HN 0.784 nan 8.360 nan 0.000 0.452 245 Q N -0.195 119.548 119.800 -0.094 0.000 2.291 245 Q HA -0.122 4.218 4.340 -0.000 0.000 0.206 245 Q C 1.527 177.348 176.000 -0.298 0.000 0.976 245 Q CA 0.994 56.666 55.803 -0.219 0.000 0.875 245 Q CB -0.126 28.418 28.738 -0.322 0.000 0.927 245 Q HN 0.294 nan 8.270 nan 0.000 0.450 246 F N 0.384 120.265 119.950 -0.115 0.000 2.780 246 F HA 0.003 4.530 4.527 -0.000 0.000 0.299 246 F C 1.745 177.482 175.800 -0.105 0.000 1.146 246 F CA 0.525 58.448 58.000 -0.130 0.000 1.428 246 F CB 0.303 39.192 39.000 -0.186 0.000 1.115 246 F HN 0.071 nan 8.300 nan 0.000 0.583 247 E N -0.206 120.021 120.200 0.046 0.000 2.140 247 E HA -0.052 4.298 4.350 -0.000 0.000 0.191 247 E C 0.905 177.490 176.600 -0.024 0.000 0.973 247 E CA 0.449 56.854 56.400 0.008 0.000 0.829 247 E CB -0.066 29.636 29.700 0.003 0.000 0.781 247 E HN 0.241 nan 8.360 nan 0.000 0.466 248 N N 1.393 120.066 118.700 -0.044 0.000 2.413 248 N HA 0.063 4.803 4.740 -0.000 0.000 0.207 248 N C -0.114 175.361 175.510 -0.059 0.000 1.206 248 N CA 0.250 53.268 53.050 -0.052 0.000 0.832 248 N CB -0.211 38.240 38.487 -0.059 0.000 1.037 248 N HN 0.277 nan 8.380 nan 0.000 0.467 249 I N -1.493 119.044 120.570 -0.055 0.000 2.371 249 I HA 0.237 4.407 4.170 -0.000 0.000 0.290 249 I C -0.275 175.814 176.117 -0.047 0.000 1.028 249 I CA -0.708 60.560 61.300 -0.053 0.000 1.345 249 I CB 0.652 38.627 38.000 -0.042 0.000 1.407 249 I HN -0.257 nan 8.210 nan 0.000 0.501 250 L N 6.851 128.049 121.223 -0.043 0.000 2.325 250 L HA 0.236 4.576 4.340 -0.000 0.000 0.284 250 L C 1.122 177.970 176.870 -0.035 0.000 1.089 250 L CA -0.317 54.499 54.840 -0.039 0.000 0.836 250 L CB 0.878 42.919 42.059 -0.029 0.000 1.184 250 L HN 0.761 nan 8.230 nan 0.000 0.444 251 L N 2.354 123.549 121.223 -0.045 0.000 2.049 251 L HA 0.073 4.413 4.340 -0.000 0.000 0.203 251 L C 0.796 177.654 176.870 -0.019 0.000 1.074 251 L CA 1.238 56.056 54.840 -0.037 0.000 0.749 251 L CB -0.272 41.751 42.059 -0.060 0.000 0.907 251 L HN 0.583 nan 8.230 nan 0.000 0.439 252 K N -0.513 119.879 120.400 -0.014 0.000 2.542 252 K HA 0.450 4.770 4.320 -0.000 0.000 0.259 252 K C -1.423 175.187 176.600 0.017 0.000 0.932 252 K CA -0.550 55.742 56.287 0.008 0.000 0.820 252 K CB 3.371 35.887 32.500 0.026 0.000 1.345 252 K HN -0.269 nan 8.250 nan 0.000 0.432 253 V N 2.532 122.456 119.914 0.017 0.000 2.509 253 V HA 0.226 4.346 4.120 -0.000 0.000 0.284 253 V C 0.054 176.166 176.094 0.030 0.000 1.047 253 V CA -0.902 61.410 62.300 0.020 0.000 0.952 253 V CB 1.227 33.056 31.823 0.010 0.000 0.988 253 V HN 0.631 nan 8.190 nan 0.000 0.469 254 N N 4.789 123.511 118.700 0.036 0.000 2.524 254 N HA 0.342 5.082 4.740 -0.000 0.000 0.283 254 N C -2.304 173.217 175.510 0.018 0.000 1.142 254 N CA -1.788 51.283 53.050 0.034 0.000 0.984 254 N CB 1.230 39.743 38.487 0.044 0.000 1.155 254 N HN 0.382 nan 8.380 nan 0.000 0.467 255 P HA 0.144 nan 4.420 nan 0.000 0.249 255 P C -0.787 176.516 177.300 0.003 0.000 1.686 255 P CA 0.359 63.463 63.100 0.006 0.000 0.873 255 P CB -0.257 31.445 31.700 0.003 0.000 1.828 256 D N -2.030 118.373 120.400 0.005 0.000 3.244 256 D HA 0.127 4.767 4.640 -0.000 0.000 0.292 256 D C 0.872 177.175 176.300 0.005 0.000 1.652 256 D CA 0.098 54.100 54.000 0.003 0.000 0.803 256 D CB -0.322 40.477 40.800 -0.001 0.000 1.390 256 D HN 0.225 nan 8.370 nan 0.000 0.528 257 G N 1.544 110.348 108.800 0.006 0.000 3.400 257 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.209 257 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.209 257 G C 0.508 175.414 174.900 0.010 0.000 1.411 257 G CA 0.343 45.446 45.100 0.006 0.000 0.917 257 G HN 1.128 nan 8.290 nan 0.000 0.570 258 S N 0.841 116.550 115.700 0.015 0.000 2.587 258 S HA 0.576 5.046 4.470 -0.000 0.000 0.260 258 S C -0.048 174.568 174.600 0.027 0.000 1.353 258 S CA 0.962 59.175 58.200 0.022 0.000 0.995 258 S CB 1.241 64.461 63.200 0.033 0.000 0.912 258 S HN 0.902 nan 8.310 nan 0.000 0.568 259 Q N -0.098 119.718 119.800 0.027 0.000 2.359 259 Q HA 0.554 4.894 4.340 -0.000 0.000 0.274 259 Q C -1.485 174.525 176.000 0.016 0.000 1.074 259 Q CA -0.908 54.907 55.803 0.020 0.000 0.810 259 Q CB 2.292 31.031 28.738 0.002 0.000 1.342 259 Q HN 0.588 nan 8.270 nan 0.000 0.427 260 V N 2.596 122.515 119.914 0.008 0.000 2.530 260 V HA 0.341 4.461 4.120 -0.000 0.000 0.282 260 V C 0.335 176.363 176.094 -0.111 0.000 1.048 260 V CA -0.104 62.154 62.300 -0.071 0.000 0.997 260 V CB 0.602 32.364 31.823 -0.101 0.000 0.987 260 V HN 0.653 nan 8.190 nan 0.000 0.477 261 R N 2.724 123.137 120.500 -0.145 0.000 3.024 261 R HA 0.484 4.824 4.340 -0.000 0.000 0.224 261 R C 0.787 177.008 176.300 -0.132 0.000 1.490 261 R CA -1.026 55.009 56.100 -0.108 0.000 1.057 261 R CB 0.430 30.687 30.300 -0.072 0.000 1.723 261 R HN 0.429 nan 8.270 nan 0.000 0.520 262 L N 1.622 122.795 121.223 -0.084 0.000 2.127 262 L HA -0.009 4.331 4.340 -0.000 0.000 0.203 262 L C 1.733 178.562 176.870 -0.069 0.000 1.080 262 L CA 1.836 56.634 54.840 -0.070 0.000 0.768 262 L CB -0.660 41.382 42.059 -0.028 0.000 0.924 262 L HN 0.542 nan 8.230 nan 0.000 0.444 263 K N 0.003 120.371 120.400 -0.053 0.000 2.074 263 K HA -0.205 4.115 4.320 -0.000 0.000 0.209 263 K C 1.356 177.925 176.600 -0.050 0.000 1.048 263 K CA 1.797 58.063 56.287 -0.035 0.000 0.926 263 K CB -0.302 32.184 32.500 -0.023 0.000 0.713 263 K HN 0.363 nan 8.250 nan 0.000 0.444 264 D N 0.303 120.641 120.400 -0.103 0.000 2.312 264 D HA -0.060 4.580 4.640 -0.000 0.000 0.211 264 D C 1.686 177.878 176.300 -0.180 0.000 0.964 264 D CA 0.782 54.702 54.000 -0.133 0.000 0.877 264 D CB 0.192 40.850 40.800 -0.238 0.000 0.924 264 D HN 0.087 nan 8.370 nan 0.000 0.515 265 V N -0.418 119.390 119.914 -0.176 0.000 3.455 265 V HA 0.438 4.558 4.120 -0.000 0.000 0.250 265 V C 0.763 176.836 176.094 -0.036 0.000 1.230 265 V CA 0.518 62.739 62.300 -0.132 0.000 1.105 265 V CB 0.455 32.181 31.823 -0.161 0.000 0.850 265 V HN 0.230 nan 8.190 nan 0.000 0.461 266 A N -0.728 122.080 122.820 -0.021 0.000 2.588 266 A HA 0.679 4.999 4.320 -0.000 0.000 0.290 266 A C -1.830 175.779 177.584 0.041 0.000 1.136 266 A CA -0.493 51.562 52.037 0.030 0.000 0.681 266 A CB 1.255 20.274 19.000 0.032 0.000 1.282 266 A HN 0.105 nan 8.150 nan 0.000 0.421 267 D N -0.813 119.650 120.400 0.105 0.000 2.423 267 D HA 0.662 5.302 4.640 -0.000 0.000 0.255 267 D C -0.580 175.765 176.300 0.075 0.000 1.174 267 D CA 0.161 54.234 54.000 0.121 0.000 1.008 267 D CB 1.599 42.528 40.800 0.214 0.000 1.101 267 D HN 0.335 nan 8.370 nan 0.000 0.516 268 V N -0.902 119.049 119.914 0.062 0.000 3.087 268 V HA 0.874 4.994 4.120 -0.000 0.000 0.306 268 V C -0.085 176.016 176.094 0.011 0.000 1.187 268 V CA -0.468 61.819 62.300 -0.021 0.000 0.999 268 V CB 2.117 33.925 31.823 -0.024 0.000 1.049 268 V HN 0.762 nan 8.190 nan 0.000 0.431 269 G N 2.109 110.878 108.800 -0.051 0.000 2.368 269 G HA2 0.296 4.256 3.960 -0.000 0.000 0.301 269 G HA3 0.296 4.256 3.960 -0.000 0.000 0.301 269 G C -1.539 173.340 174.900 -0.034 0.000 1.640 269 G CA -1.051 44.040 45.100 -0.014 0.000 0.941 269 G HN 0.714 nan 8.290 nan 0.000 0.695 270 L N 1.708 122.896 121.223 -0.060 0.000 2.584 270 L HA 0.416 4.756 4.340 -0.000 0.000 0.272 270 L C 1.426 178.351 176.870 0.090 0.000 1.195 270 L CA 1.056 55.858 54.840 -0.064 0.000 0.920 270 L CB 0.280 42.175 42.059 -0.273 0.000 1.173 270 L HN 0.885 nan 8.230 nan 0.000 0.489 271 G N 2.095 111.026 108.800 0.219 0.000 3.364 271 G HA2 0.739 4.699 3.960 -0.000 0.000 0.191 271 G HA3 0.739 4.699 3.960 -0.000 0.000 0.191 271 G C -0.375 174.717 174.900 0.320 0.000 1.352 271 G CA 0.192 45.521 45.100 0.382 0.000 0.758 271 G HN 0.747 nan 8.290 nan 0.000 0.730 272 G N -1.818 107.070 108.800 0.147 0.000 2.708 272 G HA2 0.467 4.427 3.960 -0.000 0.000 0.289 272 G HA3 0.467 4.427 3.960 -0.000 0.000 0.289 272 G C -0.093 174.749 174.900 -0.097 0.000 1.416 272 G CA -0.135 44.901 45.100 -0.107 0.000 0.829 272 G HN 0.375 nan 8.290 nan 0.000 0.480 273 Q N -0.820 118.886 119.800 -0.158 0.000 2.123 273 Q HA 0.110 4.450 4.340 -0.000 0.000 0.196 273 Q C -0.458 175.433 176.000 -0.182 0.000 0.958 273 Q CA 1.030 56.673 55.803 -0.267 0.000 0.841 273 Q CB 0.306 28.944 28.738 -0.166 0.000 0.915 273 Q HN 0.544 nan 8.270 nan 0.000 0.455 274 D N -0.914 119.408 120.400 -0.130 0.000 2.620 274 D HA 0.168 4.808 4.640 -0.000 0.000 0.252 274 D C -1.068 175.195 176.300 -0.062 0.000 1.207 274 D CA -0.378 53.608 54.000 -0.024 0.000 0.884 274 D CB 0.914 41.713 40.800 -0.002 0.000 1.262 274 D HN 0.035 nan 8.370 nan 0.000 0.552 275 Y N 0.799 121.125 120.300 0.043 0.000 2.470 275 Y HA 0.066 4.616 4.550 0.000 0.000 0.284 275 Y C 2.000 177.930 175.900 0.050 0.000 1.188 275 Y CA -0.120 58.012 58.100 0.054 0.000 1.269 275 Y CB 0.113 38.612 38.460 0.066 0.000 1.094 275 Y HN 0.363 nan 8.280 nan 0.000 0.518 276 S N -0.388 115.407 115.700 0.158 0.000 2.339 276 S HA 0.013 4.483 4.470 -0.000 0.000 0.213 276 S C 0.805 175.478 174.600 0.121 0.000 1.033 276 S CA 0.206 58.485 58.200 0.133 0.000 0.950 276 S CB -0.631 62.645 63.200 0.126 0.000 0.893 276 S HN 0.243 nan 8.310 nan 0.000 0.492 277 I N 3.758 124.406 120.570 0.130 0.000 2.455 277 I HA 0.168 4.338 4.170 -0.000 0.000 0.303 277 I C -0.746 175.443 176.117 0.120 0.000 1.180 277 I CA -0.235 61.167 61.300 0.170 0.000 1.469 277 I CB -0.867 37.264 38.000 0.219 0.000 1.480 277 I HN 0.190 nan 8.210 nan 0.000 0.669 278 N N 5.218 123.963 118.700 0.075 0.000 2.456 278 N HA 0.697 5.437 4.740 -0.000 0.000 0.288 278 N C -0.446 175.030 175.510 -0.057 0.000 1.059 278 N CA -0.422 52.638 53.050 0.018 0.000 0.946 278 N CB 1.987 40.480 38.487 0.009 0.000 1.150 278 N HN 0.584 nan 8.380 nan 0.000 0.479 279 A N 1.319 124.077 122.820 -0.103 0.000 2.401 279 A HA 0.707 5.027 4.320 -0.000 0.000 0.310 279 A C -1.081 176.321 177.584 -0.303 0.000 1.075 279 A CA -0.644 51.216 52.037 -0.296 0.000 0.746 279 A CB 1.247 20.084 19.000 -0.271 0.000 1.277 279 A HN 0.611 nan 8.150 nan 0.000 0.425 280 Q N 0.690 120.199 119.800 -0.485 0.000 2.269 280 Q HA 0.337 4.677 4.340 -0.000 0.000 0.263 280 Q C -1.823 173.978 176.000 -0.331 0.000 0.983 280 Q CA -0.322 55.301 55.803 -0.299 0.000 0.777 280 Q CB 2.611 31.227 28.738 -0.204 0.000 1.273 280 Q HN 0.651 nan 8.270 nan 0.000 0.440 281 F N 3.852 123.659 119.950 -0.237 0.000 2.335 281 F HA 0.299 4.826 4.527 0.000 0.000 0.365 281 F C 0.203 175.997 175.800 -0.010 0.000 1.122 281 F CA -0.096 57.883 58.000 -0.035 0.000 1.151 281 F CB -0.088 39.017 39.000 0.175 0.000 1.282 281 F HN 0.816 nan 8.300 nan 0.000 0.513 282 N N 4.057 122.448 118.700 -0.515 0.000 2.818 282 N HA -0.200 4.540 4.740 -0.000 0.000 0.250 282 N C 0.835 176.200 175.510 -0.243 0.000 1.108 282 N CA 0.407 53.175 53.050 -0.471 0.000 0.745 282 N CB -1.177 36.882 38.487 -0.713 0.000 1.104 282 N HN 1.155 nan 8.380 nan 0.000 0.557 283 G N -0.461 108.234 108.800 -0.175 0.000 3.586 283 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.212 283 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.212 283 G C 0.115 174.964 174.900 -0.085 0.000 1.411 283 G CA 0.293 45.325 45.100 -0.114 0.000 0.898 283 G HN 1.274 nan 8.290 nan 0.000 0.575 284 S N 3.239 118.898 115.700 -0.069 0.000 2.596 284 S HA 0.457 4.927 4.470 -0.000 0.000 0.298 284 S C -2.058 172.536 174.600 -0.010 0.000 1.255 284 S CA -0.057 58.126 58.200 -0.028 0.000 1.083 284 S CB 0.862 64.059 63.200 -0.006 0.000 0.837 284 S HN 0.487 nan 8.310 nan 0.000 0.499 285 P HA 0.253 nan 4.420 nan 0.000 0.261 285 P C -0.238 177.071 177.300 0.015 0.000 1.165 285 P CA 0.533 63.623 63.100 -0.016 0.000 0.759 285 P CB 0.229 31.924 31.700 -0.008 0.000 0.772 286 A N 2.447 125.274 122.820 0.012 0.000 2.529 286 A HA 0.851 5.171 4.320 -0.000 0.000 0.296 286 A C -0.888 176.732 177.584 0.059 0.000 1.205 286 A CA -0.140 51.933 52.037 0.061 0.000 0.671 286 A CB 1.418 20.513 19.000 0.158 0.000 1.301 286 A HN 0.536 nan 8.150 nan 0.000 0.450 287 S N -1.226 114.541 115.700 0.112 0.000 2.558 287 S HA 0.777 5.247 4.470 -0.000 0.000 0.277 287 S C -0.477 174.212 174.600 0.149 0.000 1.143 287 S CA 0.303 58.603 58.200 0.166 0.000 0.865 287 S CB 0.984 64.240 63.200 0.094 0.000 1.102 287 S HN 2.530 nan 8.310 nan 0.000 0.454 288 G N 1.090 110.018 108.800 0.213 0.000 2.687 288 G HA2 0.668 4.628 3.960 -0.000 0.000 0.291 288 G HA3 0.668 4.628 3.960 -0.000 0.000 0.291 288 G C -1.278 173.621 174.900 -0.001 0.000 1.420 288 G CA -0.984 44.132 45.100 0.026 0.000 0.796 288 G HN 0.971 nan 8.290 nan 0.000 0.485 289 I N 0.430 120.911 120.570 -0.148 0.000 2.428 289 I HA 0.581 4.751 4.170 -0.000 0.000 0.296 289 I C 0.532 176.484 176.117 -0.275 0.000 0.985 289 I CA -0.886 60.274 61.300 -0.233 0.000 1.260 289 I CB 1.911 39.780 38.000 -0.218 0.000 1.389 289 I HN 0.505 nan 8.210 nan 0.000 0.484 290 A N 7.851 130.410 122.820 -0.436 0.000 2.260 290 A HA 0.660 4.980 4.320 -0.000 0.000 0.312 290 A C -0.143 177.418 177.584 -0.039 0.000 1.321 290 A CA -0.601 51.142 52.037 -0.490 0.000 0.928 290 A CB 0.157 18.428 19.000 -1.216 0.000 1.158 290 A HN 0.749 nan 8.150 nan 0.000 0.542 291 I N -0.707 119.946 120.570 0.139 0.000 2.577 291 I HA 0.644 4.814 4.170 -0.000 0.000 0.305 291 I C -0.531 175.833 176.117 0.412 0.000 0.986 291 I CA -0.783 60.683 61.300 0.277 0.000 1.189 291 I CB 1.768 39.870 38.000 0.169 0.000 1.355 291 I HN 0.444 nan 8.210 nan 0.000 0.476 292 K N 5.073 125.646 120.400 0.287 0.000 2.270 292 K HA 0.524 4.844 4.320 -0.000 0.000 0.255 292 K C -0.922 175.751 176.600 0.123 0.000 0.936 292 K CA -0.863 55.533 56.287 0.181 0.000 0.809 292 K CB 2.759 35.286 32.500 0.046 0.000 1.131 292 K HN 0.571 nan 8.250 nan 0.000 0.427 293 L N 2.436 123.724 121.223 0.108 0.000 2.525 293 L HA 0.015 4.355 4.340 -0.000 0.000 0.278 293 L C 0.380 177.279 176.870 0.048 0.000 1.218 293 L CA -0.000 54.888 54.840 0.080 0.000 0.878 293 L CB 0.575 42.681 42.059 0.079 0.000 1.127 293 L HN 0.771 nan 8.230 nan 0.000 0.492 294 A N 2.548 125.393 122.820 0.041 0.000 2.371 294 A HA 0.359 4.679 4.320 -0.000 0.000 0.257 294 A C 0.443 178.034 177.584 0.012 0.000 1.089 294 A CA -0.372 51.678 52.037 0.021 0.000 0.794 294 A CB 0.139 19.151 19.000 0.020 0.000 1.029 294 A HN 0.769 nan 8.150 nan 0.000 0.488 295 T N 0.270 114.823 114.554 -0.003 0.000 2.849 295 T HA 0.392 4.742 4.350 -0.000 0.000 0.289 295 T C 0.936 175.632 174.700 -0.007 0.000 1.010 295 T CA 0.370 62.464 62.100 -0.010 0.000 1.161 295 T CB -0.322 68.531 68.868 -0.026 0.000 0.989 295 T HN 2.391 nan 8.240 nan 0.000 0.523 296 G N 1.752 110.550 108.800 -0.004 0.000 2.438 296 G HA2 0.347 4.307 3.960 -0.000 0.000 0.272 296 G HA3 0.347 4.307 3.960 -0.000 0.000 0.272 296 G C -0.012 174.890 174.900 0.003 0.000 0.991 296 G CA -0.235 44.862 45.100 -0.005 0.000 1.348 296 G HN 1.812 nan 8.290 nan 0.000 0.483 297 A N 1.270 124.098 122.820 0.014 0.000 2.594 297 A HA 0.768 5.088 4.320 -0.000 0.000 0.295 297 A C -0.346 177.256 177.584 0.029 0.000 1.071 297 A CA -0.585 51.464 52.037 0.020 0.000 0.685 297 A CB 1.391 20.407 19.000 0.026 0.000 1.285 297 A HN 0.801 nan 8.150 nan 0.000 0.405 298 N N 1.126 119.843 118.700 0.027 0.000 2.408 298 N HA 0.427 5.167 4.740 -0.000 0.000 0.257 298 N C 1.180 176.713 175.510 0.039 0.000 1.064 298 N CA 0.481 53.550 53.050 0.032 0.000 0.952 298 N CB 1.510 40.012 38.487 0.024 0.000 1.093 298 N HN 0.757 nan 8.380 nan 0.000 0.490 299 A N 5.221 128.071 122.820 0.051 0.000 1.859 299 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 299 A C 2.162 179.771 177.584 0.043 0.000 1.209 299 A CA 1.440 53.513 52.037 0.059 0.000 0.639 299 A CB -0.939 18.106 19.000 0.075 0.000 0.835 299 A HN 0.770 nan 8.150 nan 0.000 0.450 300 L N -0.766 120.478 121.223 0.034 0.000 1.963 300 L HA -0.298 4.042 4.340 -0.000 0.000 0.220 300 L C 2.428 179.306 176.870 0.013 0.000 1.076 300 L CA 1.953 56.804 54.840 0.019 0.000 0.772 300 L CB -1.025 41.043 42.059 0.015 0.000 0.892 300 L HN 0.365 nan 8.230 nan 0.000 0.435 301 D N -0.645 119.764 120.400 0.016 0.000 2.133 301 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 301 D C 2.151 178.460 176.300 0.016 0.000 0.997 301 D CA 1.834 55.842 54.000 0.013 0.000 0.840 301 D CB -0.188 40.620 40.800 0.014 0.000 0.947 301 D HN 0.318 nan 8.370 nan 0.000 0.452 302 T N 0.386 114.956 114.554 0.026 0.000 2.668 302 T HA -0.103 4.247 4.350 -0.000 0.000 0.262 302 T C 1.977 176.696 174.700 0.031 0.000 1.045 302 T CA 1.754 63.874 62.100 0.033 0.000 1.152 302 T CB -0.403 68.493 68.868 0.047 0.000 0.864 302 T HN 0.200 nan 8.240 nan 0.000 0.419 303 A N 1.709 124.547 122.820 0.030 0.000 1.948 303 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 303 A C 2.202 179.785 177.584 -0.002 0.000 1.177 303 A CA 1.936 53.984 52.037 0.020 0.000 0.636 303 A CB -0.515 18.487 19.000 0.004 0.000 0.815 303 A HN 0.528 nan 8.150 nan 0.000 0.449 304 K N -0.436 119.959 120.400 -0.008 0.000 2.026 304 K HA -0.058 4.262 4.320 -0.000 0.000 0.208 304 K C 2.357 178.954 176.600 -0.004 0.000 1.048 304 K CA 1.239 57.516 56.287 -0.017 0.000 0.929 304 K CB -0.365 32.126 32.500 -0.014 0.000 0.713 304 K HN 0.436 nan 8.250 nan 0.000 0.439 305 A N 2.069 124.893 122.820 0.006 0.000 1.930 305 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 305 A C 1.979 179.573 177.584 0.017 0.000 1.175 305 A CA 1.254 53.297 52.037 0.010 0.000 0.627 305 A CB -0.698 18.310 19.000 0.013 0.000 0.815 305 A HN 0.508 nan 8.150 nan 0.000 0.443 306 I N -3.859 116.727 120.570 0.027 0.000 3.752 306 I HA 0.319 4.489 4.170 -0.000 0.000 0.313 306 I C 1.339 177.494 176.117 0.063 0.000 1.304 306 I CA 0.386 61.709 61.300 0.039 0.000 1.171 306 I CB -0.070 37.958 38.000 0.047 0.000 1.038 306 I HN 0.206 nan 8.210 nan 0.000 0.427 307 R N 0.365 120.893 120.500 0.047 0.000 2.215 307 R HA 0.180 4.520 4.340 -0.000 0.000 0.190 307 R C 2.047 178.373 176.300 0.044 0.000 0.968 307 R CA 0.444 56.583 56.100 0.065 0.000 1.122 307 R CB 0.123 30.414 30.300 -0.015 0.000 1.151 307 R HN 0.380 nan 8.270 nan 0.000 0.582 308 Q N -0.561 119.247 119.800 0.014 0.000 2.230 308 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 308 Q C 1.644 177.645 176.000 0.001 0.000 0.963 308 Q CA 1.642 57.446 55.803 0.002 0.000 0.866 308 Q CB 0.074 28.808 28.738 -0.006 0.000 0.931 308 Q HN 0.195 nan 8.270 nan 0.000 0.452 309 T N 1.513 116.071 114.554 0.008 0.000 2.746 309 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 309 T C 1.358 176.055 174.700 -0.004 0.000 1.039 309 T CA 0.826 62.928 62.100 0.002 0.000 1.142 309 T CB -0.120 68.750 68.868 0.004 0.000 0.866 309 T HN 0.422 nan 8.240 nan 0.000 0.444 310 I N -1.324 119.250 120.570 0.008 0.000 3.771 310 I HA 0.608 4.778 4.170 -0.000 0.000 0.327 310 I C 0.937 177.055 176.117 0.001 0.000 1.435 310 I CA -0.322 60.977 61.300 -0.001 0.000 1.259 310 I CB -0.129 37.870 38.000 -0.003 0.000 1.292 310 I HN 0.094 nan 8.210 nan 0.000 0.429 311 A N 1.304 124.113 122.820 -0.020 0.000 2.530 311 A HA 0.263 4.583 4.320 -0.000 0.000 0.214 311 A C 1.213 178.744 177.584 -0.089 0.000 1.352 311 A CA -0.150 51.863 52.037 -0.039 0.000 1.035 311 A CB 0.056 19.044 19.000 -0.020 0.000 1.296 311 A HN 0.409 nan 8.150 nan 0.000 0.563 312 N N 0.097 118.746 118.700 -0.086 0.000 2.373 312 N HA 0.174 4.914 4.740 -0.000 0.000 0.181 312 N C 1.178 176.563 175.510 -0.209 0.000 1.082 312 N CA 0.538 53.508 53.050 -0.134 0.000 0.885 312 N CB 0.112 38.569 38.487 -0.051 0.000 0.977 312 N HN 0.440 nan 8.380 nan 0.000 0.462 313 L N 0.264 121.417 121.223 -0.116 0.000 2.513 313 L HA 0.181 4.521 4.340 -0.000 0.000 0.222 313 L C 1.676 178.497 176.870 -0.082 0.000 1.096 313 L CA 0.373 55.184 54.840 -0.049 0.000 0.857 313 L CB 0.056 42.127 42.059 0.020 0.000 1.026 313 L HN 0.106 nan 8.230 nan 0.000 0.469 314 E N 0.800 120.926 120.200 -0.123 0.000 2.106 314 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 314 E C -0.678 175.825 176.600 -0.162 0.000 0.984 314 E CA 0.875 57.217 56.400 -0.095 0.000 0.806 314 E CB -0.666 28.990 29.700 -0.072 0.000 0.750 314 E HN 0.407 nan 8.360 nan 0.000 0.458 315 P HA -0.154 nan 4.420 nan 0.000 0.223 315 P C 0.253 177.388 177.300 -0.275 0.000 1.144 315 P CA 1.244 64.085 63.100 -0.432 0.000 0.783 315 P CB -0.076 31.152 31.700 -0.786 0.000 0.771 316 F N -2.693 117.281 119.950 0.040 0.000 2.735 316 F HA 0.320 4.847 4.527 -0.000 0.000 0.304 316 F C 0.878 176.732 175.800 0.089 0.000 1.119 316 F CA -0.704 57.329 58.000 0.055 0.000 1.280 316 F CB -0.119 38.913 39.000 0.053 0.000 0.994 316 F HN -0.239 nan 8.300 nan 0.000 0.520 317 M N 1.275 120.981 119.600 0.177 0.000 2.318 317 M HA 0.392 4.872 4.480 -0.000 0.000 0.347 317 M C -2.296 174.009 176.300 0.008 0.000 1.175 317 M CA -1.869 53.492 55.300 0.103 0.000 1.075 317 M CB 0.554 33.177 32.600 0.037 0.000 1.614 317 M HN -0.216 nan 8.290 nan 0.000 0.456 318 P HA -0.028 nan 4.420 nan 0.000 0.269 318 P C -0.962 176.294 177.300 -0.072 0.000 1.217 318 P CA -0.090 62.963 63.100 -0.079 0.000 0.783 318 P CB 0.392 31.998 31.700 -0.157 0.000 0.898 319 Q N 1.088 120.863 119.800 -0.040 0.000 2.423 319 Q HA 0.437 4.777 4.340 -0.000 0.000 0.235 319 Q C 0.892 176.868 176.000 -0.039 0.000 1.100 319 Q CA 0.382 56.165 55.803 -0.032 0.000 0.908 319 Q CB 0.390 29.121 28.738 -0.013 0.000 1.312 319 Q HN 0.851 nan 8.270 nan 0.000 0.497 320 G N 1.903 110.673 108.800 -0.050 0.000 3.784 320 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.220 320 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.220 320 G C -0.077 174.787 174.900 -0.061 0.000 0.895 320 G CA -0.009 45.064 45.100 -0.045 0.000 0.939 320 G HN 0.487 nan 8.290 nan 0.000 0.708 321 M N -1.055 118.496 119.600 -0.082 0.000 2.619 321 M HA 0.894 5.374 4.480 -0.000 0.000 0.297 321 M C -1.220 175.040 176.300 -0.067 0.000 1.229 321 M CA -1.042 54.202 55.300 -0.093 0.000 0.860 321 M CB 2.557 35.051 32.600 -0.176 0.000 1.741 321 M HN -0.070 nan 8.290 nan 0.000 0.462 322 K N 1.653 122.019 120.400 -0.058 0.000 2.553 322 K HA 0.526 4.846 4.320 -0.000 0.000 0.250 322 K C -1.852 174.695 176.600 -0.089 0.000 0.953 322 K CA -0.671 55.586 56.287 -0.049 0.000 0.800 322 K CB 2.548 35.040 32.500 -0.014 0.000 1.243 322 K HN 0.757 nan 8.250 nan 0.000 0.435 323 V N 4.290 124.141 119.914 -0.106 0.000 2.529 323 V HA 0.144 4.264 4.120 -0.000 0.000 0.292 323 V C -0.006 175.916 176.094 -0.287 0.000 1.028 323 V CA -0.104 62.073 62.300 -0.205 0.000 1.074 323 V CB 0.978 32.693 31.823 -0.181 0.000 0.958 323 V HN 0.461 nan 8.190 nan 0.000 0.481 324 V N 5.069 124.694 119.914 -0.481 0.000 3.040 324 V HA 0.492 4.612 4.120 -0.000 0.000 0.312 324 V C -1.252 174.385 176.094 -0.762 0.000 1.115 324 V CA -0.845 61.138 62.300 -0.528 0.000 0.998 324 V CB 2.288 33.690 31.823 -0.702 0.000 1.042 324 V HN 0.708 nan 8.190 nan 0.000 0.433 325 Y N 2.022 122.132 120.300 -0.317 0.000 2.748 325 Y HA 0.387 4.937 4.550 -0.000 0.000 0.359 325 Y C -1.998 173.758 175.900 -0.241 0.000 1.030 325 Y CA -2.156 55.793 58.100 -0.251 0.000 1.169 325 Y CB 0.986 39.357 38.460 -0.148 0.000 1.127 325 Y HN 0.473 nan 8.280 nan 0.000 0.644 326 P HA -0.154 nan 4.420 nan 0.000 0.226 326 P C -0.707 176.654 177.300 0.101 0.000 1.146 326 P CA 1.533 64.586 63.100 -0.078 0.000 0.773 326 P CB 0.149 31.621 31.700 -0.379 0.000 0.772 327 Y N -0.687 119.530 120.300 -0.139 0.000 2.299 327 Y HA 0.438 4.988 4.550 -0.000 0.000 0.318 327 Y C -1.967 173.925 175.900 -0.014 0.000 1.205 327 Y CA -1.205 56.855 58.100 -0.067 0.000 1.106 327 Y CB 1.198 39.542 38.460 -0.193 0.000 1.246 327 Y HN -0.344 nan 8.280 nan 0.000 0.415 328 D N 3.646 123.842 120.400 -0.339 0.000 2.602 328 D HA 0.276 4.916 4.640 -0.000 0.000 0.245 328 D C -0.016 176.108 176.300 -0.294 0.000 1.325 328 D CA -0.157 53.712 54.000 -0.218 0.000 0.952 328 D CB 2.425 43.160 40.800 -0.109 0.000 1.317 328 D HN 0.645 nan 8.370 nan 0.000 0.577 329 T N 1.306 115.739 114.554 -0.203 0.000 3.014 329 T HA -0.063 4.287 4.350 -0.000 0.000 0.263 329 T C 1.718 176.427 174.700 0.015 0.000 1.078 329 T CA 1.018 63.072 62.100 -0.077 0.000 1.135 329 T CB 0.156 69.075 68.868 0.085 0.000 0.895 329 T HN 0.400 nan 8.240 nan 0.000 0.480 330 T N 2.236 116.799 114.554 0.015 0.000 2.778 330 T HA -0.089 4.261 4.350 -0.000 0.000 0.269 330 T C -0.958 173.759 174.700 0.028 0.000 1.050 330 T CA 1.130 63.247 62.100 0.029 0.000 1.137 330 T CB -0.802 68.072 68.868 0.010 0.000 0.860 330 T HN 0.342 nan 8.240 nan 0.000 0.468 331 P HA -0.039 nan 4.420 nan 0.000 0.215 331 P C 1.671 179.048 177.300 0.128 0.000 1.157 331 P CA 0.675 63.797 63.100 0.036 0.000 0.868 331 P CB -0.230 31.465 31.700 -0.009 0.000 0.788 332 V N -0.385 119.636 119.914 0.178 0.000 2.370 332 V HA -0.244 3.876 4.120 -0.000 0.000 0.252 332 V C 2.475 178.671 176.094 0.170 0.000 1.068 332 V CA 1.797 64.273 62.300 0.293 0.000 1.061 332 V CB -1.306 30.697 31.823 0.301 0.000 0.656 332 V HN -0.026 nan 8.190 nan 0.000 0.455 333 V N 0.083 120.067 119.914 0.117 0.000 2.233 333 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 333 V C 2.528 178.651 176.094 0.049 0.000 1.050 333 V CA 2.600 64.941 62.300 0.069 0.000 1.010 333 V CB -0.833 31.026 31.823 0.061 0.000 0.637 333 V HN 0.613 nan 8.190 nan 0.000 0.444 334 S N 0.174 115.910 115.700 0.060 0.000 2.368 334 S HA -0.151 4.319 4.470 -0.000 0.000 0.225 334 S C 2.199 176.849 174.600 0.085 0.000 1.030 334 S CA 1.330 59.565 58.200 0.057 0.000 0.999 334 S CB -0.584 62.642 63.200 0.043 0.000 0.844 334 S HN 0.651 nan 8.310 nan 0.000 0.459 335 A N 2.272 125.163 122.820 0.120 0.000 1.865 335 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 335 A C 2.441 180.040 177.584 0.026 0.000 1.191 335 A CA 2.262 54.383 52.037 0.141 0.000 0.623 335 A CB -1.217 18.004 19.000 0.370 0.000 0.826 335 A HN 0.638 nan 8.150 nan 0.000 0.444 336 S N 0.598 116.282 115.700 -0.026 0.000 2.368 336 S HA -0.162 4.308 4.470 -0.000 0.000 0.225 336 S C 1.699 176.258 174.600 -0.067 0.000 1.030 336 S CA 1.442 59.582 58.200 -0.099 0.000 0.999 336 S CB -0.853 62.286 63.200 -0.101 0.000 0.844 336 S HN 1.057 nan 8.310 nan 0.000 0.459 337 I N -0.250 120.296 120.570 -0.039 0.000 3.812 337 I HA 0.357 4.527 4.170 -0.000 0.000 0.320 337 I C 1.779 177.907 176.117 0.018 0.000 1.276 337 I CA 0.354 61.628 61.300 -0.043 0.000 1.164 337 I CB -0.393 37.571 38.000 -0.059 0.000 1.009 337 I HN 0.291 nan 8.210 nan 0.000 0.431 338 H N 0.953 120.005 119.070 -0.030 0.000 2.431 338 H HA 0.130 4.686 4.556 -0.000 0.000 0.295 338 H C 1.803 177.123 175.328 -0.014 0.000 1.038 338 H CA 1.506 57.545 56.048 -0.014 0.000 1.360 338 H CB 0.257 30.018 29.762 -0.001 0.000 1.433 338 H HN 0.414 nan 8.280 nan 0.000 0.536 339 E N -0.040 120.136 120.200 -0.039 0.000 2.158 339 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 339 E C 2.154 178.715 176.600 -0.065 0.000 0.982 339 E CA 0.847 57.198 56.400 -0.082 0.000 0.823 339 E CB 0.105 29.789 29.700 -0.027 0.000 0.766 339 E HN 0.311 nan 8.360 nan 0.000 0.468 340 V N 1.035 120.931 119.914 -0.029 0.000 2.759 340 V HA -0.153 3.967 4.120 -0.000 0.000 0.256 340 V C 1.983 178.074 176.094 -0.004 0.000 1.080 340 V CA 1.062 63.381 62.300 0.032 0.000 1.101 340 V CB 0.104 31.924 31.823 -0.004 0.000 0.698 340 V HN 0.055 nan 8.190 nan 0.000 0.477 341 V N -0.640 119.230 119.914 -0.072 0.000 2.878 341 V HA -0.077 4.043 4.120 -0.000 0.000 0.250 341 V C 2.318 178.335 176.094 -0.128 0.000 1.075 341 V CA 1.570 63.821 62.300 -0.081 0.000 1.096 341 V CB -0.325 31.444 31.823 -0.090 0.000 0.724 341 V HN 0.482 nan 8.190 nan 0.000 0.467 342 K N 0.344 120.613 120.400 -0.217 0.000 1.985 342 K HA -0.222 4.098 4.320 -0.000 0.000 0.210 342 K C 2.379 178.930 176.600 -0.081 0.000 1.047 342 K CA 2.165 58.340 56.287 -0.187 0.000 0.932 342 K CB -0.557 31.815 32.500 -0.214 0.000 0.716 342 K HN 0.433 nan 8.250 nan 0.000 0.439 343 T N 2.202 116.725 114.554 -0.050 0.000 2.699 343 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 343 T C 1.911 176.605 174.700 -0.009 0.000 1.036 343 T CA 1.369 63.459 62.100 -0.017 0.000 1.147 343 T CB -0.274 68.599 68.868 0.008 0.000 0.862 343 T HN 0.238 nan 8.240 nan 0.000 0.446 344 L N 0.865 122.089 121.223 0.002 0.000 1.978 344 L HA -0.074 4.266 4.340 -0.000 0.000 0.218 344 L C 2.720 179.592 176.870 0.003 0.000 1.075 344 L CA 2.796 57.645 54.840 0.014 0.000 0.767 344 L CB -1.739 40.337 42.059 0.028 0.000 0.890 344 L HN 0.519 nan 8.230 nan 0.000 0.434 345 G N -0.796 107.996 108.800 -0.013 0.000 2.440 345 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 345 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 345 G C 1.377 176.268 174.900 -0.016 0.000 1.154 345 G CA 0.756 45.847 45.100 -0.016 0.000 0.767 345 G HN 0.605 nan 8.290 nan 0.000 0.552 346 E N 0.614 120.802 120.200 -0.020 0.000 2.110 346 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 346 E C 2.932 179.527 176.600 -0.007 0.000 0.988 346 E CA 0.754 57.144 56.400 -0.016 0.000 0.804 346 E CB -0.204 29.486 29.700 -0.018 0.000 0.745 346 E HN 0.430 nan 8.360 nan 0.000 0.458 347 A N 1.815 124.630 122.820 -0.007 0.000 1.877 347 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 347 A C 2.325 179.919 177.584 0.017 0.000 1.186 347 A CA 1.508 53.542 52.037 -0.006 0.000 0.620 347 A CB -0.767 18.225 19.000 -0.014 0.000 0.822 347 A HN 0.405 nan 8.150 nan 0.000 0.443 348 I N -1.962 118.623 120.570 0.025 0.000 2.493 348 I HA -0.157 4.013 4.170 -0.000 0.000 0.254 348 I C 2.064 178.224 176.117 0.072 0.000 1.160 348 I CA 1.255 62.586 61.300 0.051 0.000 1.445 348 I CB -0.118 37.909 38.000 0.046 0.000 1.086 348 I HN 0.281 nan 8.210 nan 0.000 0.433 349 L N 0.410 121.654 121.223 0.035 0.000 1.994 349 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 349 L C 2.669 179.599 176.870 0.101 0.000 1.071 349 L CA 1.586 56.446 54.840 0.034 0.000 0.745 349 L CB -0.472 41.578 42.059 -0.014 0.000 0.892 349 L HN 0.342 nan 8.230 nan 0.000 0.431 350 L N -1.292 119.969 121.223 0.063 0.000 2.079 350 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 350 L C 2.518 179.442 176.870 0.089 0.000 1.081 350 L CA 0.938 55.816 54.840 0.063 0.000 0.752 350 L CB -0.745 41.329 42.059 0.026 0.000 0.896 350 L HN 0.122 nan 8.230 nan 0.000 0.433 351 V N 0.034 120.003 119.914 0.092 0.000 2.261 351 V HA -0.337 3.783 4.120 -0.000 0.000 0.246 351 V C 2.313 178.479 176.094 0.120 0.000 1.047 351 V CA 2.155 64.512 62.300 0.094 0.000 1.015 351 V CB -0.611 31.262 31.823 0.084 0.000 0.642 351 V HN 0.367 nan 8.190 nan 0.000 0.446 352 F N 0.211 120.163 119.950 0.004 0.000 2.115 352 F HA -0.274 4.253 4.527 -0.000 0.000 0.300 352 F C 2.043 177.844 175.800 0.001 0.000 1.092 352 F CA 1.913 59.906 58.000 -0.012 0.000 1.245 352 F CB -0.180 38.795 39.000 -0.041 0.000 0.995 352 F HN 0.053 nan 8.300 nan 0.000 0.481 353 L N -0.852 120.500 121.223 0.214 0.000 2.072 353 L HA -0.177 4.163 4.340 -0.000 0.000 0.205 353 L C 2.400 179.299 176.870 0.048 0.000 1.079 353 L CA 0.824 55.734 54.840 0.116 0.000 0.752 353 L CB -0.802 41.335 42.059 0.131 0.000 0.906 353 L HN 0.036 nan 8.230 nan 0.000 0.436 354 V N -0.024 119.926 119.914 0.060 0.000 2.343 354 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 354 V C 2.522 178.691 176.094 0.125 0.000 1.051 354 V CA 1.870 64.225 62.300 0.091 0.000 1.036 354 V CB -0.398 31.502 31.823 0.127 0.000 0.654 354 V HN 0.407 nan 8.190 nan 0.000 0.451 355 M N -1.580 118.040 119.600 0.032 0.000 2.213 355 M HA -0.208 4.272 4.480 -0.000 0.000 0.263 355 M C 2.214 178.448 176.300 -0.109 0.000 1.062 355 M CA 2.027 57.313 55.300 -0.024 0.000 1.105 355 M CB -0.524 32.002 32.600 -0.123 0.000 1.385 355 M HN 0.455 nan 8.290 nan 0.000 0.417 356 Y N 0.950 121.050 120.300 -0.333 0.000 2.314 356 Y HA -0.104 4.446 4.550 -0.000 0.000 0.293 356 Y C 2.134 177.878 175.900 -0.260 0.000 1.129 356 Y CA 1.112 58.988 58.100 -0.374 0.000 1.201 356 Y CB 0.020 38.212 38.460 -0.447 0.000 0.999 356 Y HN 0.084 nan 8.280 nan 0.000 0.541 357 L N -0.967 120.210 121.223 -0.076 0.000 2.079 357 L HA -0.274 4.066 4.340 -0.000 0.000 0.210 357 L C 1.624 178.197 176.870 -0.496 0.000 1.081 357 L CA 1.891 56.563 54.840 -0.279 0.000 0.752 357 L CB -0.418 41.360 42.059 -0.469 0.000 0.896 357 L HN 0.294 nan 8.230 nan 0.000 0.433 358 F N -0.959 118.865 119.950 -0.210 0.000 2.317 358 F HA -0.031 4.496 4.527 -0.000 0.000 0.290 358 F C 2.256 177.881 175.800 -0.291 0.000 1.075 358 F CA 0.490 58.386 58.000 -0.174 0.000 1.380 358 F CB -0.067 38.837 39.000 -0.160 0.000 1.093 358 F HN -0.102 nan 8.300 nan 0.000 0.524 359 L N -0.604 120.514 121.223 -0.176 0.000 2.209 359 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 359 L C 0.301 176.872 176.870 -0.499 0.000 1.094 359 L CA 0.454 55.127 54.840 -0.279 0.000 0.790 359 L CB -0.847 41.068 42.059 -0.240 0.000 0.932 359 L HN 0.175 nan 8.230 nan 0.000 0.447 360 Q N 1.187 120.468 119.800 -0.864 0.000 2.443 360 Q HA -0.245 4.095 4.340 -0.000 0.000 0.337 360 Q C -0.465 175.051 176.000 -0.807 0.000 1.401 360 Q CA 0.493 55.522 55.803 -1.290 0.000 0.943 360 Q CB -1.689 26.199 28.738 -1.417 0.000 1.177 360 Q HN 0.543 nan 8.270 nan 0.000 0.394 361 N N -1.146 117.111 118.700 -0.738 0.000 4.430 361 N HA 0.102 4.842 4.740 -0.000 0.000 0.181 361 N C -0.623 174.922 175.510 0.057 0.000 1.061 361 N CA -0.518 52.436 53.050 -0.161 0.000 1.089 361 N CB 0.107 38.526 38.487 -0.113 0.000 1.586 361 N HN 0.018 nan 8.380 nan 0.000 0.881 362 F N 2.099 122.189 119.950 0.232 0.000 2.154 362 F HA -0.039 4.488 4.527 -0.000 0.000 0.301 362 F C 2.228 178.129 175.800 0.169 0.000 1.087 362 F CA 1.463 59.634 58.000 0.284 0.000 1.274 362 F CB 0.201 39.372 39.000 0.285 0.000 1.009 362 F HN 0.517 nan 8.300 nan 0.000 0.485 363 R N -0.616 120.051 120.500 0.279 0.000 2.075 363 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 363 R C 2.396 178.753 176.300 0.096 0.000 1.126 363 R CA 1.240 57.447 56.100 0.177 0.000 0.963 363 R CB -0.669 29.710 30.300 0.133 0.000 0.858 363 R HN 0.294 nan 8.270 nan 0.000 0.435 364 A N -0.217 122.623 122.820 0.033 0.000 1.874 364 A HA -0.115 4.205 4.320 -0.000 0.000 0.214 364 A C 2.119 179.665 177.584 -0.064 0.000 1.189 364 A CA 1.674 53.694 52.037 -0.029 0.000 0.615 364 A CB -0.762 18.192 19.000 -0.076 0.000 0.830 364 A HN 0.293 nan 8.150 nan 0.000 0.443 365 T N -0.474 114.005 114.554 -0.124 0.000 3.098 365 T HA 0.006 4.356 4.350 -0.000 0.000 0.266 365 T C 1.486 176.109 174.700 -0.128 0.000 1.145 365 T CA 0.907 62.878 62.100 -0.215 0.000 1.092 365 T CB -0.475 68.152 68.868 -0.401 0.000 0.908 365 T HN 0.278 nan 8.240 nan 0.000 0.526 366 L N 1.247 122.480 121.223 0.016 0.000 2.270 366 L HA 0.103 4.443 4.340 -0.000 0.000 0.210 366 L C 2.061 178.994 176.870 0.104 0.000 1.104 366 L CA 1.075 55.997 54.840 0.136 0.000 0.804 366 L CB -0.519 41.666 42.059 0.210 0.000 0.937 366 L HN 0.366 nan 8.230 nan 0.000 0.450 367 I N -0.141 120.458 120.570 0.049 0.000 2.233 367 I HA -0.100 4.070 4.170 -0.000 0.000 0.243 367 I C -0.318 175.798 176.117 -0.002 0.000 1.093 367 I CA 0.829 62.142 61.300 0.020 0.000 1.380 367 I CB -2.959 35.035 38.000 -0.009 0.000 1.067 367 I HN 0.153 nan 8.210 nan 0.000 0.413 368 P HA -0.052 nan 4.420 nan 0.000 0.220 368 P C 1.762 179.076 177.300 0.022 0.000 1.148 368 P CA 1.501 64.591 63.100 -0.016 0.000 0.803 368 P CB -0.143 31.535 31.700 -0.037 0.000 0.782 369 T N -0.041 114.550 114.554 0.062 0.000 2.777 369 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 369 T C 1.700 176.461 174.700 0.102 0.000 1.040 369 T CA 0.639 62.813 62.100 0.124 0.000 1.141 369 T CB -0.758 68.255 68.868 0.241 0.000 0.868 369 T HN 0.015 nan 8.240 nan 0.000 0.444 370 I N 1.764 122.389 120.570 0.092 0.000 2.399 370 I HA -0.199 3.971 4.170 -0.000 0.000 0.254 370 I C 2.549 178.695 176.117 0.048 0.000 1.146 370 I CA 1.062 62.417 61.300 0.092 0.000 1.412 370 I CB -1.027 37.016 38.000 0.071 0.000 1.076 370 I HN 0.182 nan 8.210 nan 0.000 0.432 371 A N -0.240 122.590 122.820 0.017 0.000 1.969 371 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 371 A C 2.402 180.001 177.584 0.026 0.000 1.169 371 A CA 1.273 53.309 52.037 -0.002 0.000 0.635 371 A CB -0.721 18.267 19.000 -0.020 0.000 0.810 371 A HN 0.263 nan 8.150 nan 0.000 0.445 372 V N 0.840 120.782 119.914 0.046 0.000 2.231 372 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 372 V C 0.024 176.157 176.094 0.065 0.000 1.054 372 V CA 2.824 65.157 62.300 0.055 0.000 1.015 372 V CB -1.628 30.236 31.823 0.068 0.000 0.638 372 V HN 0.394 nan 8.190 nan 0.000 0.444 373 P HA -0.115 nan 4.420 nan 0.000 0.215 373 P C 1.899 179.249 177.300 0.084 0.000 1.157 373 P CA 1.497 64.649 63.100 0.086 0.000 0.868 373 P CB -0.179 31.577 31.700 0.094 0.000 0.788 374 V N -0.498 119.458 119.914 0.070 0.000 2.287 374 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 374 V C 2.482 178.601 176.094 0.043 0.000 1.053 374 V CA 1.949 64.281 62.300 0.053 0.000 1.027 374 V CB -1.397 30.436 31.823 0.017 0.000 0.646 374 V HN -0.034 nan 8.190 nan 0.000 0.447 375 V N -0.293 119.638 119.914 0.029 0.000 2.244 375 V HA -0.208 3.912 4.120 -0.000 0.000 0.244 375 V C 2.336 178.446 176.094 0.026 0.000 1.042 375 V CA 1.948 64.256 62.300 0.013 0.000 1.006 375 V CB -0.594 31.227 31.823 -0.003 0.000 0.641 375 V HN 0.399 nan 8.190 nan 0.000 0.446 376 L N -0.495 120.756 121.223 0.048 0.000 1.990 376 L HA -0.220 4.120 4.340 -0.000 0.000 0.213 376 L C 2.589 179.591 176.870 0.220 0.000 1.072 376 L CA 1.418 56.302 54.840 0.073 0.000 0.755 376 L CB -0.751 41.384 42.059 0.128 0.000 0.889 376 L HN 0.298 nan 8.230 nan 0.000 0.432 377 L N -0.004 121.366 121.223 0.246 0.000 2.013 377 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 377 L C 2.693 179.696 176.870 0.223 0.000 1.073 377 L CA 2.342 57.346 54.840 0.274 0.000 0.753 377 L CB -1.997 40.146 42.059 0.139 0.000 0.890 377 L HN 0.371 nan 8.230 nan 0.000 0.432 378 G N -1.301 107.572 108.800 0.122 0.000 2.432 378 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.219 378 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.219 378 G C 1.583 176.518 174.900 0.058 0.000 1.135 378 G CA 1.200 46.348 45.100 0.080 0.000 0.767 378 G HN 0.356 nan 8.290 nan 0.000 0.550 379 T N 0.832 115.390 114.554 0.006 0.000 2.821 379 T HA -0.018 4.332 4.350 -0.000 0.000 0.267 379 T C 2.005 176.636 174.700 -0.115 0.000 1.046 379 T CA 0.675 62.715 62.100 -0.099 0.000 1.139 379 T CB -0.301 68.439 68.868 -0.213 0.000 0.871 379 T HN 0.272 nan 8.240 nan 0.000 0.454 380 F N 1.636 121.584 119.950 -0.003 0.000 2.126 380 F HA -0.006 4.521 4.527 -0.000 0.000 0.299 380 F C 2.712 178.525 175.800 0.022 0.000 1.096 380 F CA 1.003 59.006 58.000 0.006 0.000 1.255 380 F CB -0.817 38.186 39.000 0.006 0.000 0.997 380 F HN 0.231 nan 8.300 nan 0.000 0.479 381 G N -0.229 108.688 108.800 0.195 0.000 2.440 381 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 381 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 381 G C 1.774 176.733 174.900 0.098 0.000 1.154 381 G CA 1.237 46.409 45.100 0.120 0.000 0.767 381 G HN 0.253 nan 8.290 nan 0.000 0.552 382 V N 0.956 120.926 119.914 0.093 0.000 2.307 382 V HA -0.125 3.995 4.120 -0.000 0.000 0.245 382 V C 2.948 179.168 176.094 0.210 0.000 1.045 382 V CA 1.591 63.980 62.300 0.149 0.000 1.024 382 V CB -0.475 31.410 31.823 0.102 0.000 0.651 382 V HN 0.363 nan 8.190 nan 0.000 0.449 383 L N 0.229 121.508 121.223 0.095 0.000 2.043 383 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 383 L C 2.751 179.772 176.870 0.252 0.000 1.075 383 L CA 1.761 56.679 54.840 0.130 0.000 0.752 383 L CB -0.942 41.153 42.059 0.061 0.000 0.891 383 L HN 0.367 nan 8.230 nan 0.000 0.432 384 A N 0.110 123.037 122.820 0.178 0.000 1.883 384 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 384 A C 2.563 180.197 177.584 0.084 0.000 1.186 384 A CA 1.988 54.105 52.037 0.134 0.000 0.624 384 A CB -0.852 18.210 19.000 0.103 0.000 0.822 384 A HN 0.416 nan 8.150 nan 0.000 0.444 385 A N -1.320 121.515 122.820 0.025 0.000 1.908 385 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 385 A C 1.377 178.811 177.584 -0.249 0.000 1.181 385 A CA 1.295 53.228 52.037 -0.173 0.000 0.627 385 A CB -0.611 18.187 19.000 -0.336 0.000 0.818 385 A HN 0.486 nan 8.150 nan 0.000 0.445 386 F N 0.285 120.318 119.950 0.138 0.000 2.798 386 F HA 0.406 4.933 4.527 0.000 0.000 0.291 386 F C 1.570 177.529 175.800 0.265 0.000 1.174 386 F CA 0.029 58.155 58.000 0.211 0.000 1.392 386 F CB -0.336 38.828 39.000 0.273 0.000 0.966 386 F HN 0.277 nan 8.300 nan 0.000 0.509 387 G N 0.618 109.562 108.800 0.240 0.000 2.421 387 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.300 387 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.300 387 G C -0.069 174.885 174.900 0.090 0.000 0.974 387 G CA 0.013 45.189 45.100 0.127 0.000 1.062 387 G HN 0.286 nan 8.290 nan 0.000 0.514 388 F N 0.290 120.291 119.950 0.085 0.000 2.411 388 F HA 0.711 5.238 4.527 -0.000 0.000 0.324 388 F C 1.081 176.906 175.800 0.043 0.000 1.086 388 F CA 0.066 58.099 58.000 0.056 0.000 1.028 388 F CB 1.752 40.780 39.000 0.047 0.000 1.284 388 F HN 0.327 nan 8.300 nan 0.000 0.501 389 S N 0.413 116.236 115.700 0.205 0.000 2.715 389 S HA 0.669 5.139 4.470 -0.000 0.000 0.307 389 S C -0.741 173.934 174.600 0.124 0.000 1.119 389 S CA -0.943 57.332 58.200 0.125 0.000 0.937 389 S CB 1.367 64.598 63.200 0.052 0.000 1.150 389 S HN 0.402 nan 8.310 nan 0.000 0.521 390 I N 2.708 123.336 120.570 0.097 0.000 2.363 390 I HA 0.281 4.451 4.170 -0.000 0.000 0.292 390 I C -0.351 175.759 176.117 -0.011 0.000 1.075 390 I CA -0.370 60.976 61.300 0.077 0.000 1.333 390 I CB -0.197 37.878 38.000 0.124 0.000 1.415 390 I HN 0.522 nan 8.210 nan 0.000 0.502 391 N N 3.310 121.961 118.700 -0.082 0.000 2.381 391 N HA 0.195 4.935 4.740 -0.000 0.000 0.294 391 N C 0.803 176.107 175.510 -0.344 0.000 1.216 391 N CA -0.593 52.345 53.050 -0.185 0.000 0.803 391 N CB 1.592 39.983 38.487 -0.159 0.000 1.372 391 N HN 0.382 nan 8.380 nan 0.000 0.500 392 T N 0.139 114.376 114.554 -0.527 0.000 2.881 392 T HA 0.034 4.384 4.350 -0.000 0.000 0.270 392 T C 1.647 175.663 174.700 -1.140 0.000 1.068 392 T CA 1.295 62.904 62.100 -0.819 0.000 1.131 392 T CB -0.117 68.183 68.868 -0.946 0.000 0.871 392 T HN 0.325 nan 8.240 nan 0.000 0.479 393 L N -0.313 120.503 121.223 -0.677 0.000 2.071 393 L HA 0.038 4.378 4.340 -0.000 0.000 0.201 393 L C 2.994 179.534 176.870 -0.551 0.000 1.076 393 L CA 1.212 55.759 54.840 -0.488 0.000 0.755 393 L CB -1.155 40.780 42.059 -0.207 0.000 0.915 393 L HN 0.151 nan 8.230 nan 0.000 0.445 394 T N 0.048 114.362 114.554 -0.399 0.000 2.685 394 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 394 T C 1.974 176.501 174.700 -0.288 0.000 1.034 394 T CA 1.532 63.434 62.100 -0.329 0.000 1.149 394 T CB -0.097 68.670 68.868 -0.169 0.000 0.860 394 T HN 0.108 nan 8.240 nan 0.000 0.449 395 M N -0.110 119.339 119.600 -0.251 0.000 2.132 395 M HA 0.079 4.559 4.480 -0.000 0.000 0.263 395 M C 2.087 178.397 176.300 0.015 0.000 1.065 395 M CA 1.268 56.488 55.300 -0.133 0.000 1.122 395 M CB -1.311 31.213 32.600 -0.126 0.000 1.365 395 M HN 0.381 nan 8.290 nan 0.000 0.411 396 F N 0.161 120.047 119.950 -0.107 0.000 2.192 396 F HA -0.224 4.303 4.527 0.000 0.000 0.301 396 F C 2.419 178.216 175.800 -0.005 0.000 1.079 396 F CA 0.597 58.595 58.000 -0.003 0.000 1.303 396 F CB -0.708 38.375 39.000 0.138 0.000 1.024 396 F HN 0.288 nan 8.300 nan 0.000 0.494 397 G N 0.380 109.174 108.800 -0.011 0.000 2.421 397 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 397 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 397 G C 1.556 176.437 174.900 -0.033 0.000 1.171 397 G CA 0.722 45.788 45.100 -0.057 0.000 0.775 397 G HN 0.219 nan 8.290 nan 0.000 0.543 398 M N 0.239 119.793 119.600 -0.077 0.000 2.229 398 M HA 0.004 4.484 4.480 -0.000 0.000 0.264 398 M C 2.605 178.908 176.300 0.006 0.000 1.063 398 M CA 0.658 55.914 55.300 -0.073 0.000 1.114 398 M CB -0.414 32.110 32.600 -0.127 0.000 1.387 398 M HN 0.091 nan 8.290 nan 0.000 0.420 399 V N 1.278 121.221 119.914 0.050 0.000 2.270 399 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 399 V C 2.430 178.552 176.094 0.046 0.000 1.043 399 V CA 1.621 63.953 62.300 0.052 0.000 1.014 399 V CB -0.673 31.195 31.823 0.075 0.000 0.645 399 V HN 0.451 nan 8.190 nan 0.000 0.447 400 L N 0.161 121.440 121.223 0.094 0.000 2.081 400 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 400 L C 2.597 179.585 176.870 0.197 0.000 1.080 400 L CA 1.711 56.648 54.840 0.161 0.000 0.754 400 L CB -0.707 41.499 42.059 0.246 0.000 0.893 400 L HN 0.402 nan 8.230 nan 0.000 0.433 401 A N 0.383 123.260 122.820 0.096 0.000 2.067 401 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 401 A C 1.997 179.623 177.584 0.070 0.000 1.156 401 A CA 1.018 53.091 52.037 0.060 0.000 0.683 401 A CB -0.501 18.485 19.000 -0.023 0.000 0.808 401 A HN 0.480 nan 8.150 nan 0.000 0.455 402 I N -1.977 118.631 120.570 0.064 0.000 2.756 402 I HA 0.048 4.218 4.170 -0.000 0.000 0.262 402 I C 1.809 177.977 176.117 0.086 0.000 1.225 402 I CA 1.185 62.520 61.300 0.059 0.000 1.472 402 I CB -1.034 36.992 38.000 0.044 0.000 1.094 402 I HN 0.043 nan 8.210 nan 0.000 0.454 403 G N 0.356 109.245 108.800 0.148 0.000 2.838 403 G HA2 0.260 4.220 3.960 -0.000 0.000 0.210 403 G HA3 0.260 4.220 3.960 -0.000 0.000 0.210 403 G C 1.417 176.464 174.900 0.245 0.000 1.153 403 G CA 0.136 45.375 45.100 0.233 0.000 0.778 403 G HN 0.422 nan 8.290 nan 0.000 0.539 404 L N -0.057 121.271 121.223 0.176 0.000 2.349 404 L HA 0.190 4.530 4.340 -0.000 0.000 0.200 404 L C 2.536 179.422 176.870 0.027 0.000 1.064 404 L CA 0.220 55.101 54.840 0.068 0.000 0.821 404 L CB -0.426 41.655 42.059 0.037 0.000 1.027 404 L HN 0.239 nan 8.230 nan 0.000 0.476 405 L N -1.821 119.418 121.223 0.027 0.000 2.187 405 L HA -0.089 4.251 4.340 -0.000 0.000 0.213 405 L C 2.144 179.015 176.870 0.001 0.000 1.100 405 L CA 1.440 56.282 54.840 0.004 0.000 0.765 405 L CB -1.193 40.867 42.059 0.002 0.000 0.904 405 L HN -0.091 nan 8.230 nan 0.000 0.437 406 V N 0.413 120.336 119.914 0.015 0.000 2.548 406 V HA -0.186 3.934 4.120 -0.000 0.000 0.249 406 V C 2.225 178.308 176.094 -0.018 0.000 1.055 406 V CA 1.670 63.972 62.300 0.004 0.000 1.065 406 V CB -0.592 31.244 31.823 0.021 0.000 0.681 406 V HN 0.456 nan 8.190 nan 0.000 0.462 407 D N 0.517 120.907 120.400 -0.018 0.000 2.160 407 D HA -0.228 4.412 4.640 -0.000 0.000 0.189 407 D C 1.837 178.106 176.300 -0.052 0.000 1.003 407 D CA 1.966 55.942 54.000 -0.041 0.000 0.846 407 D CB -0.455 40.319 40.800 -0.042 0.000 0.949 407 D HN 0.412 nan 8.370 nan 0.000 0.446 408 D N 0.049 120.423 120.400 -0.044 0.000 2.106 408 D HA -0.137 4.503 4.640 -0.000 0.000 0.191 408 D C 2.010 178.278 176.300 -0.053 0.000 0.997 408 D CA 1.831 55.804 54.000 -0.046 0.000 0.834 408 D CB -0.548 40.229 40.800 -0.039 0.000 0.956 408 D HN 0.201 nan 8.370 nan 0.000 0.448 409 A N 1.004 123.794 122.820 -0.050 0.000 1.903 409 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 409 A C 2.344 179.890 177.584 -0.062 0.000 1.191 409 A CA 2.195 54.199 52.037 -0.055 0.000 0.638 409 A CB -1.093 17.879 19.000 -0.047 0.000 0.823 409 A HN 0.491 nan 8.150 nan 0.000 0.451 410 I N -2.977 117.553 120.570 -0.068 0.000 2.286 410 I HA -0.086 4.084 4.170 -0.000 0.000 0.245 410 I C 1.991 178.049 176.117 -0.098 0.000 1.104 410 I CA 1.409 62.656 61.300 -0.087 0.000 1.397 410 I CB -0.870 37.069 38.000 -0.101 0.000 1.072 410 I HN 0.044 nan 8.210 nan 0.000 0.417 411 V N 1.730 121.586 119.914 -0.097 0.000 2.439 411 V HA -0.250 3.870 4.120 -0.000 0.000 0.253 411 V C 2.670 178.712 176.094 -0.087 0.000 1.074 411 V CA 2.009 64.247 62.300 -0.103 0.000 1.076 411 V CB -0.455 31.312 31.823 -0.093 0.000 0.664 411 V HN 0.428 nan 8.190 nan 0.000 0.461 412 V N -1.157 118.714 119.914 -0.071 0.000 2.446 412 V HA -0.131 3.989 4.120 -0.000 0.000 0.244 412 V C 2.299 178.357 176.094 -0.060 0.000 1.039 412 V CA 1.440 63.705 62.300 -0.058 0.000 1.045 412 V CB 0.052 31.845 31.823 -0.051 0.000 0.681 412 V HN 0.383 nan 8.190 nan 0.000 0.459 413 V N 0.767 120.641 119.914 -0.067 0.000 2.261 413 V HA -0.325 3.795 4.120 -0.000 0.000 0.246 413 V C 2.531 178.581 176.094 -0.073 0.000 1.047 413 V CA 2.584 64.844 62.300 -0.067 0.000 1.015 413 V CB -0.643 31.136 31.823 -0.073 0.000 0.642 413 V HN 0.781 nan 8.190 nan 0.000 0.446 414 E N 1.036 121.183 120.200 -0.088 0.000 2.038 414 E HA -0.320 4.030 4.350 -0.000 0.000 0.195 414 E C 1.871 178.424 176.600 -0.078 0.000 1.000 414 E CA 2.298 58.642 56.400 -0.092 0.000 0.803 414 E CB -0.538 29.091 29.700 -0.117 0.000 0.750 414 E HN 0.646 nan 8.360 nan 0.000 0.448 415 N N -1.131 117.522 118.700 -0.078 0.000 2.635 415 N HA -0.077 4.663 4.740 -0.000 0.000 0.191 415 N C 0.861 176.346 175.510 -0.042 0.000 1.155 415 N CA 0.638 53.650 53.050 -0.063 0.000 0.927 415 N CB 0.314 38.762 38.487 -0.066 0.000 0.976 415 N HN 0.088 nan 8.380 nan 0.000 0.448 416 V N -0.391 119.496 119.914 -0.045 0.000 3.471 416 V HA 0.060 4.180 4.120 -0.000 0.000 0.258 416 V C 1.497 177.566 176.094 -0.043 0.000 1.192 416 V CA 0.830 63.109 62.300 -0.036 0.000 1.116 416 V CB 0.104 31.907 31.823 -0.033 0.000 0.792 416 V HN 0.310 nan 8.190 nan 0.000 0.459 417 E N -0.147 120.020 120.200 -0.055 0.000 2.276 417 E HA 0.020 4.370 4.350 -0.000 0.000 0.193 417 E C 2.186 178.742 176.600 -0.073 0.000 0.983 417 E CA 0.004 56.364 56.400 -0.066 0.000 0.861 417 E CB 0.139 29.794 29.700 -0.075 0.000 0.817 417 E HN 0.453 nan 8.360 nan 0.000 0.485 418 R N 0.832 121.298 120.500 -0.057 0.000 2.082 418 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 418 R C 2.441 178.714 176.300 -0.045 0.000 1.136 418 R CA 1.467 57.542 56.100 -0.042 0.000 0.935 418 R CB -0.393 29.895 30.300 -0.020 0.000 0.842 418 R HN 0.017 nan 8.270 nan 0.000 0.430 419 V N 1.122 121.019 119.914 -0.029 0.000 2.343 419 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 419 V C 2.324 178.395 176.094 -0.038 0.000 1.051 419 V CA 1.686 63.974 62.300 -0.020 0.000 1.036 419 V CB -0.389 31.428 31.823 -0.009 0.000 0.654 419 V HN 0.391 nan 8.190 nan 0.000 0.451 420 M N -0.974 118.596 119.600 -0.050 0.000 2.557 420 M HA -0.026 4.454 4.480 -0.000 0.000 0.259 420 M C 1.868 178.117 176.300 -0.086 0.000 1.086 420 M CA 1.342 56.609 55.300 -0.055 0.000 1.096 420 M CB -0.277 32.294 32.600 -0.048 0.000 1.424 420 M HN 0.493 nan 8.290 nan 0.000 0.488 421 A N 0.290 123.031 122.820 -0.132 0.000 2.134 421 A HA 0.027 4.347 4.320 -0.000 0.000 0.223 421 A C 1.720 179.161 177.584 -0.238 0.000 1.738 421 A CA 0.233 52.126 52.037 -0.241 0.000 0.722 421 A CB -0.506 18.261 19.000 -0.389 0.000 1.346 421 A HN 0.321 nan 8.150 nan 0.000 0.557 422 E N 0.248 120.322 120.200 -0.211 0.000 2.169 422 E HA -0.252 4.098 4.350 -0.000 0.000 0.202 422 E C 1.381 177.986 176.600 0.009 0.000 1.016 422 E CA 1.832 58.218 56.400 -0.022 0.000 0.817 422 E CB -0.146 29.604 29.700 0.083 0.000 0.736 422 E HN 0.742 nan 8.360 nan 0.000 0.462 423 E N -1.087 119.104 120.200 -0.015 0.000 2.539 423 E HA 0.163 4.513 4.350 -0.000 0.000 0.215 423 E C 0.350 176.943 176.600 -0.012 0.000 0.965 423 E CA 0.198 56.598 56.400 -0.001 0.000 1.019 423 E CB 1.213 30.917 29.700 0.006 0.000 1.059 423 E HN 0.208 nan 8.360 nan 0.000 0.496 424 G N 2.790 111.570 108.800 -0.032 0.000 2.274 424 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.251 424 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.251 424 G C -0.449 174.442 174.900 -0.016 0.000 0.836 424 G CA 0.454 45.536 45.100 -0.030 0.000 1.246 424 G HN 0.184 nan 8.290 nan 0.000 0.355 425 L N 0.993 122.206 121.223 -0.017 0.000 2.327 425 L HA 0.758 5.098 4.340 -0.000 0.000 0.258 425 L C 1.140 178.004 176.870 -0.009 0.000 1.024 425 L CA -0.635 54.199 54.840 -0.009 0.000 0.825 425 L CB 2.001 44.055 42.059 -0.007 0.000 1.386 425 L HN 0.745 nan 8.230 nan 0.000 0.417 426 S N 1.400 117.097 115.700 -0.004 0.000 2.568 426 S HA 0.155 4.625 4.470 -0.000 0.000 0.282 426 S C -1.995 172.604 174.600 -0.003 0.000 1.338 426 S CA -0.722 57.477 58.200 -0.002 0.000 1.045 426 S CB 0.937 64.138 63.200 0.002 0.000 0.873 426 S HN 0.449 nan 8.310 nan 0.000 0.516 427 P HA -0.195 nan 4.420 nan 0.000 0.215 427 P C 1.709 179.009 177.300 0.001 0.000 1.163 427 P CA 1.546 64.645 63.100 -0.002 0.000 0.894 427 P CB -0.041 31.662 31.700 0.004 0.000 0.791 428 R N 0.504 121.007 120.500 0.005 0.000 2.082 428 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 428 R C 2.098 178.400 176.300 0.004 0.000 1.136 428 R CA 1.997 58.101 56.100 0.006 0.000 0.935 428 R CB -0.708 29.597 30.300 0.007 0.000 0.842 428 R HN 0.172 nan 8.270 nan 0.000 0.430 429 E N -0.315 119.887 120.200 0.003 0.000 2.204 429 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 429 E C 1.898 178.499 176.600 0.002 0.000 0.989 429 E CA 0.821 57.222 56.400 0.003 0.000 0.824 429 E CB -0.004 29.697 29.700 0.002 0.000 0.756 429 E HN 0.542 nan 8.360 nan 0.000 0.477 430 A N 1.626 124.445 122.820 -0.002 0.000 1.898 430 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 430 A C 2.362 179.944 177.584 -0.003 0.000 1.181 430 A CA 1.465 53.499 52.037 -0.005 0.000 0.620 430 A CB -0.470 18.523 19.000 -0.012 0.000 0.819 430 A HN 0.280 nan 8.150 nan 0.000 0.442 431 A N -0.056 122.762 122.820 -0.003 0.000 1.828 431 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 431 A C 2.176 179.763 177.584 0.006 0.000 1.203 431 A CA 1.635 53.672 52.037 -0.001 0.000 0.614 431 A CB -0.690 18.310 19.000 0.001 0.000 0.844 431 A HN 0.501 nan 8.150 nan 0.000 0.445 432 R N -0.608 119.898 120.500 0.009 0.000 2.159 432 R HA -0.236 4.104 4.340 -0.000 0.000 0.249 432 R C 2.375 178.683 176.300 0.013 0.000 1.136 432 R CA 2.039 58.147 56.100 0.013 0.000 0.951 432 R CB -0.397 29.909 30.300 0.010 0.000 0.876 432 R HN 0.414 nan 8.270 nan 0.000 0.440 433 K N 0.339 120.745 120.400 0.011 0.000 1.980 433 K HA -0.176 4.144 4.320 -0.000 0.000 0.223 433 K C 2.132 178.743 176.600 0.019 0.000 1.052 433 K CA 2.357 58.652 56.287 0.014 0.000 0.974 433 K CB -0.556 31.951 32.500 0.012 0.000 0.734 433 K HN 0.273 nan 8.250 nan 0.000 0.447 434 S N 1.091 116.800 115.700 0.015 0.000 2.402 434 S HA -0.175 4.295 4.470 -0.000 0.000 0.233 434 S C 2.018 176.630 174.600 0.020 0.000 1.030 434 S CA 1.286 59.497 58.200 0.018 0.000 1.003 434 S CB -0.244 62.957 63.200 0.001 0.000 0.813 434 S HN 0.181 nan 8.310 nan 0.000 0.477 435 M N 1.984 121.594 119.600 0.016 0.000 2.106 435 M HA -0.043 4.437 4.480 -0.000 0.000 0.259 435 M C 2.462 178.778 176.300 0.026 0.000 1.068 435 M CA 1.687 56.998 55.300 0.019 0.000 1.100 435 M CB -2.230 30.384 32.600 0.022 0.000 1.351 435 M HN 0.522 nan 8.290 nan 0.000 0.404 436 G N -0.696 108.120 108.800 0.027 0.000 2.408 436 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 436 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 436 G C 1.473 176.397 174.900 0.041 0.000 1.150 436 G CA 0.395 45.513 45.100 0.029 0.000 0.776 436 G HN 0.576 nan 8.290 nan 0.000 0.542 437 Q N -0.069 119.763 119.800 0.054 0.000 2.119 437 Q HA 0.006 4.346 4.340 -0.000 0.000 0.201 437 Q C 2.438 178.511 176.000 0.121 0.000 0.972 437 Q CA 1.372 57.233 55.803 0.097 0.000 0.847 437 Q CB -0.186 28.627 28.738 0.126 0.000 0.903 437 Q HN 0.807 nan 8.270 nan 0.000 0.433 438 I N -3.214 117.400 120.570 0.073 0.000 4.070 438 I HA 0.097 4.267 4.170 -0.000 0.000 0.328 438 I C 1.859 178.004 176.117 0.046 0.000 1.298 438 I CA 0.016 61.349 61.300 0.054 0.000 1.173 438 I CB 0.000 38.004 38.000 0.007 0.000 1.051 438 I HN -0.030 nan 8.210 nan 0.000 0.409 439 Q N 2.230 122.057 119.800 0.045 0.000 2.561 439 Q HA -0.045 4.295 4.340 -0.000 0.000 0.217 439 Q C 1.758 177.794 176.000 0.059 0.000 0.980 439 Q CA 1.237 57.064 55.803 0.039 0.000 0.927 439 Q CB -0.038 28.719 28.738 0.032 0.000 0.980 439 Q HN 0.737 nan 8.270 nan 0.000 0.525 440 G N -1.312 107.538 108.800 0.085 0.000 2.743 440 G HA2 0.113 4.073 3.960 -0.000 0.000 0.206 440 G HA3 0.113 4.073 3.960 -0.000 0.000 0.206 440 G C 1.146 176.147 174.900 0.170 0.000 1.115 440 G CA 0.455 45.643 45.100 0.147 0.000 0.782 440 G HN 0.363 nan 8.290 nan 0.000 0.524 441 A N 0.834 123.710 122.820 0.092 0.000 1.898 441 A HA 0.283 4.603 4.320 -0.000 0.000 0.214 441 A C 2.312 179.923 177.584 0.045 0.000 1.183 441 A CA 0.633 52.706 52.037 0.060 0.000 0.622 441 A CB -0.351 18.648 19.000 -0.002 0.000 0.824 441 A HN 0.276 nan 8.150 nan 0.000 0.444 442 L N -0.394 120.844 121.223 0.026 0.000 1.956 442 L HA -0.204 4.136 4.340 -0.000 0.000 0.216 442 L C 2.512 179.388 176.870 0.011 0.000 1.073 442 L CA 1.605 56.448 54.840 0.006 0.000 0.762 442 L CB -1.003 41.054 42.059 -0.002 0.000 0.889 442 L HN 0.220 nan 8.230 nan 0.000 0.433 443 V N 0.439 120.365 119.914 0.019 0.000 2.392 443 V HA -0.250 3.870 4.120 -0.000 0.000 0.249 443 V C 2.594 178.686 176.094 -0.002 0.000 1.059 443 V CA 1.950 64.250 62.300 -0.001 0.000 1.051 443 V CB -1.365 30.452 31.823 -0.010 0.000 0.658 443 V HN 0.627 nan 8.190 nan 0.000 0.455 444 G N 1.208 110.049 108.800 0.069 0.000 2.639 444 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.216 444 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.216 444 G C 1.467 176.395 174.900 0.046 0.000 1.267 444 G CA 1.542 46.714 45.100 0.121 0.000 0.801 444 G HN 0.603 nan 8.290 nan 0.000 0.592 445 I N -0.320 120.271 120.570 0.034 0.000 2.226 445 I HA -0.043 4.127 4.170 -0.000 0.000 0.245 445 I C 2.951 179.065 176.117 -0.005 0.000 1.100 445 I CA 1.696 62.998 61.300 0.005 0.000 1.374 445 I CB -1.035 36.956 38.000 -0.016 0.000 1.057 445 I HN 0.224 nan 8.210 nan 0.000 0.413 446 A N 1.894 124.709 122.820 -0.008 0.000 1.873 446 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 446 A C 2.479 180.057 177.584 -0.011 0.000 1.193 446 A CA 2.392 54.422 52.037 -0.012 0.000 0.629 446 A CB -0.792 18.197 19.000 -0.018 0.000 0.826 446 A HN 0.489 nan 8.150 nan 0.000 0.447 447 M N -0.423 119.162 119.600 -0.026 0.000 2.082 447 M HA -0.182 4.298 4.480 -0.000 0.000 0.258 447 M C 2.270 178.555 176.300 -0.025 0.000 1.071 447 M CA 2.133 57.407 55.300 -0.043 0.000 1.103 447 M CB -1.069 31.474 32.600 -0.095 0.000 1.307 447 M HN 0.332 nan 8.290 nan 0.000 0.409 448 V N 0.682 120.585 119.914 -0.019 0.000 2.219 448 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 448 V C 2.495 178.594 176.094 0.009 0.000 1.053 448 V CA 1.983 64.276 62.300 -0.012 0.000 1.009 448 V CB -1.117 30.703 31.823 -0.006 0.000 0.636 448 V HN 0.436 nan 8.190 nan 0.000 0.445 449 L N -0.026 121.219 121.223 0.036 0.000 1.989 449 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 449 L C 2.805 179.807 176.870 0.220 0.000 1.071 449 L CA 2.013 56.928 54.840 0.126 0.000 0.749 449 L CB -0.874 41.261 42.059 0.126 0.000 0.890 449 L HN 0.328 nan 8.230 nan 0.000 0.431 450 S N -0.680 115.097 115.700 0.129 0.000 2.393 450 S HA -0.352 4.118 4.470 -0.000 0.000 0.234 450 S C 2.027 176.701 174.600 0.123 0.000 1.064 450 S CA 1.769 60.037 58.200 0.114 0.000 1.088 450 S CB -0.290 62.932 63.200 0.037 0.000 0.939 450 S HN 0.531 nan 8.310 nan 0.000 0.448 451 A N 0.156 123.011 122.820 0.059 0.000 1.968 451 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 451 A C 2.223 179.804 177.584 -0.004 0.000 1.169 451 A CA 1.462 53.512 52.037 0.022 0.000 0.638 451 A CB -0.609 18.384 19.000 -0.012 0.000 0.812 451 A HN 0.428 nan 8.150 nan 0.000 0.446 452 V N -1.529 118.350 119.914 -0.058 0.000 2.594 452 V HA -0.193 3.927 4.120 -0.000 0.000 0.253 452 V C 1.881 177.770 176.094 -0.342 0.000 1.069 452 V CA 1.584 63.737 62.300 -0.245 0.000 1.082 452 V CB -0.979 30.591 31.823 -0.422 0.000 0.680 452 V HN 0.578 nan 8.190 nan 0.000 0.469 453 F N -1.298 118.634 119.950 -0.031 0.000 2.765 453 F HA 0.245 4.772 4.527 0.000 0.000 0.302 453 F C 1.837 177.647 175.800 0.016 0.000 1.111 453 F CA 0.263 58.250 58.000 -0.023 0.000 1.359 453 F CB -0.085 38.912 39.000 -0.005 0.000 1.097 453 F HN 0.032 nan 8.300 nan 0.000 0.577 454 L N 0.594 121.909 121.223 0.154 0.000 2.023 454 L HA -0.092 4.248 4.340 -0.000 0.000 0.205 454 L C -0.213 176.800 176.870 0.238 0.000 1.073 454 L CA 1.559 56.500 54.840 0.169 0.000 0.745 454 L CB -1.544 40.580 42.059 0.108 0.000 0.900 454 L HN 0.063 nan 8.230 nan 0.000 0.435 455 P HA -0.194 nan 4.420 nan 0.000 0.215 455 P C 1.817 179.364 177.300 0.412 0.000 1.157 455 P CA 1.517 64.750 63.100 0.221 0.000 0.863 455 P CB -0.156 31.626 31.700 0.137 0.000 0.787 456 M N -0.911 118.816 119.600 0.212 0.000 2.128 456 M HA -0.242 4.237 4.480 -0.000 0.000 0.253 456 M C 2.088 178.616 176.300 0.380 0.000 1.079 456 M CA 2.620 57.990 55.300 0.118 0.000 1.082 456 M CB -1.773 30.654 32.600 -0.288 0.000 1.335 456 M HN -0.164 nan 8.290 nan 0.000 0.401 457 A N 0.048 123.068 122.820 0.333 0.000 2.024 457 A HA -0.081 4.239 4.320 -0.000 0.000 0.220 457 A C 1.781 179.470 177.584 0.175 0.000 1.164 457 A CA 1.504 53.686 52.037 0.241 0.000 0.643 457 A CB -1.044 18.033 19.000 0.128 0.000 0.806 457 A HN 0.579 nan 8.150 nan 0.000 0.451 458 F N -1.767 118.291 119.950 0.180 0.000 2.615 458 F HA 0.241 4.768 4.527 0.000 0.000 0.297 458 F C 0.603 176.438 175.800 0.058 0.000 1.124 458 F CA -0.254 57.795 58.000 0.081 0.000 1.451 458 F CB -0.234 38.760 39.000 -0.011 0.000 1.103 458 F HN 0.053 nan 8.300 nan 0.000 0.569 459 F N 0.012 120.112 119.950 0.249 0.000 2.490 459 F HA 0.412 4.939 4.527 -0.000 0.000 0.336 459 F C 1.229 177.125 175.800 0.161 0.000 1.178 459 F CA 0.048 58.170 58.000 0.204 0.000 1.301 459 F CB -0.004 39.150 39.000 0.257 0.000 1.175 459 F HN -0.125 nan 8.300 nan 0.000 0.593 460 G N -0.522 108.453 108.800 0.291 0.000 2.938 460 G HA2 0.594 4.553 3.960 -0.000 0.000 0.258 460 G HA3 0.594 4.553 3.960 -0.000 0.000 0.258 460 G C -0.214 174.783 174.900 0.162 0.000 1.356 460 G CA -0.362 44.843 45.100 0.176 0.000 1.052 460 G HN 1.159 nan 8.290 nan 0.000 0.550 461 G N -1.554 107.314 108.800 0.113 0.000 2.829 461 G HA2 0.115 4.075 3.960 -0.000 0.000 0.628 461 G HA3 0.115 4.075 3.960 -0.000 0.000 0.628 461 G C 1.259 176.202 174.900 0.072 0.000 1.412 461 G CA 0.676 45.835 45.100 0.098 0.000 0.864 461 G HN 1.912 nan 8.290 nan 0.000 0.544 462 S N -1.462 114.286 115.700 0.081 0.000 2.400 462 S HA -0.169 4.301 4.470 -0.000 0.000 0.232 462 S C 2.353 176.965 174.600 0.020 0.000 1.025 462 S CA 2.733 60.981 58.200 0.080 0.000 0.993 462 S CB -0.577 62.712 63.200 0.149 0.000 0.808 462 S HN 1.877 nan 8.310 nan 0.000 0.478 463 T N 1.578 116.116 114.554 -0.026 0.000 2.674 463 T HA 0.008 4.358 4.350 -0.000 0.000 0.265 463 T C 1.987 176.404 174.700 -0.471 0.000 1.039 463 T CA 1.893 63.801 62.100 -0.321 0.000 1.150 463 T CB -1.341 67.329 68.868 -0.330 0.000 0.864 463 T HN 0.596 nan 8.240 nan 0.000 0.427 464 G N 0.726 109.450 108.800 -0.127 0.000 2.469 464 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.220 464 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.220 464 G C 1.726 176.699 174.900 0.122 0.000 1.136 464 G CA 1.237 46.416 45.100 0.133 0.000 0.759 464 G HN 0.499 nan 8.290 nan 0.000 0.562 465 V N 1.762 121.708 119.914 0.053 0.000 2.255 465 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 465 V C 2.714 178.871 176.094 0.105 0.000 1.051 465 V CA 1.947 64.290 62.300 0.071 0.000 1.018 465 V CB -0.461 31.387 31.823 0.043 0.000 0.641 465 V HN 0.631 nan 8.190 nan 0.000 0.445 466 I N -1.689 118.906 120.570 0.042 0.000 2.315 466 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 466 I C 2.436 178.732 176.117 0.298 0.000 1.117 466 I CA 1.708 63.073 61.300 0.108 0.000 1.404 466 I CB -0.483 37.515 38.000 -0.004 0.000 1.071 466 I HN 0.315 nan 8.210 nan 0.000 0.419 467 Y N 1.339 121.746 120.300 0.178 0.000 2.081 467 Y HA -0.280 4.270 4.550 -0.000 0.000 0.280 467 Y C 2.958 179.026 175.900 0.279 0.000 1.163 467 Y CA 1.459 59.683 58.100 0.208 0.000 1.135 467 Y CB -0.349 38.178 38.460 0.110 0.000 0.970 467 Y HN 0.112 nan 8.280 nan 0.000 0.498 468 R N -0.075 120.665 120.500 0.401 0.000 2.117 468 R HA -0.247 4.093 4.340 -0.000 0.000 0.243 468 R C 2.207 178.680 176.300 0.288 0.000 1.143 468 R CA 1.622 57.914 56.100 0.320 0.000 0.968 468 R CB -0.310 30.177 30.300 0.312 0.000 0.863 468 R HN 0.317 nan 8.270 nan 0.000 0.444 469 Q N -0.139 119.846 119.800 0.310 0.000 2.029 469 Q HA -0.182 4.158 4.340 -0.000 0.000 0.209 469 Q C 1.785 177.725 176.000 -0.099 0.000 0.999 469 Q CA 1.977 57.856 55.803 0.125 0.000 0.857 469 Q CB -0.457 28.275 28.738 -0.011 0.000 0.926 469 Q HN 0.306 nan 8.270 nan 0.000 0.415 470 F N -0.304 119.673 119.950 0.046 0.000 2.216 470 F HA -0.156 4.371 4.527 0.000 0.000 0.300 470 F C 2.487 178.195 175.800 -0.152 0.000 1.085 470 F CA 1.008 58.983 58.000 -0.040 0.000 1.326 470 F CB -0.514 38.529 39.000 0.072 0.000 1.027 470 F HN -0.038 nan 8.300 nan 0.000 0.497 471 S N 0.841 116.611 115.700 0.116 0.000 2.354 471 S HA -0.172 4.298 4.470 -0.000 0.000 0.219 471 S C 2.248 176.747 174.600 -0.169 0.000 1.035 471 S CA 1.667 59.880 58.200 0.022 0.000 1.037 471 S CB -0.481 62.766 63.200 0.078 0.000 0.956 471 S HN 0.383 nan 8.310 nan 0.000 0.428 472 I N 1.213 121.581 120.570 -0.337 0.000 2.286 472 I HA -0.108 4.062 4.170 -0.000 0.000 0.248 472 I C 1.936 177.839 176.117 -0.355 0.000 1.115 472 I CA 1.521 62.550 61.300 -0.451 0.000 1.392 472 I CB -2.503 35.026 38.000 -0.784 0.000 1.065 472 I HN 0.178 nan 8.210 nan 0.000 0.418 473 T N 2.971 117.311 114.554 -0.355 0.000 2.588 473 T HA -0.023 4.327 4.350 -0.000 0.000 0.261 473 T C 2.224 176.766 174.700 -0.263 0.000 1.069 473 T CA 2.233 64.147 62.100 -0.311 0.000 1.172 473 T CB -0.366 68.317 68.868 -0.309 0.000 0.863 473 T HN 0.353 nan 8.240 nan 0.000 0.408 474 I N 0.927 121.312 120.570 -0.308 0.000 2.202 474 I HA -0.123 4.047 4.170 -0.000 0.000 0.242 474 I C 2.595 178.565 176.117 -0.246 0.000 1.091 474 I CA 0.853 61.938 61.300 -0.359 0.000 1.368 474 I CB -0.720 36.804 38.000 -0.793 0.000 1.058 474 I HN 0.070 nan 8.210 nan 0.000 0.410 475 V N 1.335 121.127 119.914 -0.203 0.000 2.287 475 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 475 V C 2.720 178.761 176.094 -0.089 0.000 1.053 475 V CA 2.518 64.764 62.300 -0.090 0.000 1.027 475 V CB -0.802 30.990 31.823 -0.051 0.000 0.646 475 V HN 0.624 nan 8.190 nan 0.000 0.447 476 S N 0.290 115.918 115.700 -0.120 0.000 2.461 476 S HA 0.022 4.492 4.470 -0.000 0.000 0.228 476 S C 2.016 176.568 174.600 -0.081 0.000 1.005 476 S CA 0.999 59.147 58.200 -0.087 0.000 0.942 476 S CB -0.190 62.956 63.200 -0.089 0.000 0.776 476 S HN 0.539 nan 8.310 nan 0.000 0.514 477 A N 2.931 125.686 122.820 -0.109 0.000 1.858 477 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 477 A C 2.362 179.909 177.584 -0.062 0.000 1.190 477 A CA 1.837 53.819 52.037 -0.090 0.000 0.617 477 A CB -0.761 18.174 19.000 -0.109 0.000 0.827 477 A HN 0.480 nan 8.150 nan 0.000 0.443 478 M N -0.128 119.434 119.600 -0.063 0.000 2.108 478 M HA -0.157 4.323 4.480 -0.000 0.000 0.261 478 M C 2.453 178.734 176.300 -0.032 0.000 1.066 478 M CA 1.588 56.864 55.300 -0.039 0.000 1.107 478 M CB -1.779 30.805 32.600 -0.026 0.000 1.356 478 M HN 0.504 nan 8.290 nan 0.000 0.406 479 A N 0.479 123.280 122.820 -0.033 0.000 1.835 479 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 479 A C 2.334 179.903 177.584 -0.026 0.000 1.199 479 A CA 1.509 53.531 52.037 -0.025 0.000 0.615 479 A CB -1.082 17.907 19.000 -0.019 0.000 0.838 479 A HN 0.462 nan 8.150 nan 0.000 0.444 480 L N 0.055 121.262 121.223 -0.027 0.000 2.043 480 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 480 L C 2.945 179.793 176.870 -0.036 0.000 1.075 480 L CA 1.631 56.454 54.840 -0.028 0.000 0.752 480 L CB -0.595 41.451 42.059 -0.021 0.000 0.891 480 L HN 0.599 nan 8.230 nan 0.000 0.432 481 S N -0.383 115.296 115.700 -0.035 0.000 2.368 481 S HA -0.268 4.202 4.470 -0.000 0.000 0.226 481 S C 2.007 176.582 174.600 -0.041 0.000 1.044 481 S CA 2.104 60.283 58.200 -0.035 0.000 1.062 481 S CB -0.550 62.632 63.200 -0.030 0.000 0.931 481 S HN 0.258 nan 8.310 nan 0.000 0.440 482 V N 1.840 121.732 119.914 -0.037 0.000 2.453 482 V HA 0.006 4.126 4.120 -0.000 0.000 0.247 482 V C 2.252 178.319 176.094 -0.045 0.000 1.048 482 V CA 1.755 64.034 62.300 -0.036 0.000 1.049 482 V CB -0.559 31.247 31.823 -0.028 0.000 0.672 482 V HN 0.753 nan 8.190 nan 0.000 0.457 483 I N -1.293 119.248 120.570 -0.049 0.000 2.439 483 I HA -0.073 4.097 4.170 -0.000 0.000 0.251 483 I C 2.089 178.144 176.117 -0.104 0.000 1.139 483 I CA 1.807 63.068 61.300 -0.065 0.000 1.438 483 I CB -0.243 37.724 38.000 -0.056 0.000 1.085 483 I HN 0.092 nan 8.210 nan 0.000 0.427 484 V N 1.919 121.775 119.914 -0.097 0.000 2.427 484 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 484 V C 2.889 178.904 176.094 -0.132 0.000 1.051 484 V CA 1.803 64.027 62.300 -0.126 0.000 1.048 484 V CB -1.198 30.567 31.823 -0.096 0.000 0.666 484 V HN 0.617 nan 8.190 nan 0.000 0.456 485 A N -0.984 121.780 122.820 -0.093 0.000 2.206 485 A HA 0.105 4.425 4.320 -0.000 0.000 0.211 485 A C 2.034 179.575 177.584 -0.071 0.000 1.158 485 A CA 0.935 52.923 52.037 -0.081 0.000 0.761 485 A CB -0.255 18.710 19.000 -0.058 0.000 0.801 485 A HN 0.527 nan 8.150 nan 0.000 0.473 486 L N -1.443 119.736 121.223 -0.074 0.000 2.515 486 L HA 0.249 4.589 4.340 -0.000 0.000 0.223 486 L C 1.823 178.657 176.870 -0.059 0.000 1.079 486 L CA 0.358 55.174 54.840 -0.040 0.000 0.857 486 L CB 0.059 42.109 42.059 -0.015 0.000 1.050 486 L HN 0.335 nan 8.230 nan 0.000 0.476 487 I N -1.349 119.102 120.570 -0.198 0.000 3.445 487 I HA -0.062 4.108 4.170 -0.000 0.000 0.288 487 I C 1.942 177.790 176.117 -0.447 0.000 1.198 487 I CA 0.509 61.523 61.300 -0.476 0.000 1.417 487 I CB 0.720 38.262 38.000 -0.764 0.000 1.205 487 I HN 0.146 nan 8.210 nan 0.000 0.448 488 L N 0.321 121.340 121.223 -0.340 0.000 2.356 488 L HA -0.038 4.302 4.340 -0.000 0.000 0.193 488 L C 2.713 179.416 176.870 -0.278 0.000 1.087 488 L CA 1.381 55.996 54.840 -0.375 0.000 0.817 488 L CB -0.150 41.645 42.059 -0.440 0.000 1.035 488 L HN 0.240 nan 8.230 nan 0.000 0.482 489 T N -0.424 114.006 114.554 -0.207 0.000 2.788 489 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 489 T C -0.567 174.075 174.700 -0.096 0.000 1.044 489 T CA 1.119 63.131 62.100 -0.146 0.000 1.139 489 T CB -0.987 67.815 68.868 -0.110 0.000 0.867 489 T HN 0.099 nan 8.240 nan 0.000 0.454 490 P HA 0.054 nan 4.420 nan 0.000 0.214 490 P C 1.779 179.061 177.300 -0.030 0.000 1.163 490 P CA 1.733 64.811 63.100 -0.037 0.000 0.883 490 P CB -0.499 31.195 31.700 -0.010 0.000 0.788 491 A N -0.888 121.910 122.820 -0.036 0.000 1.978 491 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 491 A C 2.210 179.779 177.584 -0.026 0.000 1.170 491 A CA 1.470 53.496 52.037 -0.018 0.000 0.636 491 A CB -1.699 17.294 19.000 -0.013 0.000 0.810 491 A HN 0.125 nan 8.150 nan 0.000 0.448 492 L N -1.224 119.955 121.223 -0.074 0.000 2.109 492 L HA -0.196 4.144 4.340 -0.000 0.000 0.207 492 L C 2.660 179.531 176.870 0.002 0.000 1.086 492 L CA 0.962 55.779 54.840 -0.037 0.000 0.760 492 L CB -0.624 41.379 42.059 -0.093 0.000 0.910 492 L HN 0.467 nan 8.230 nan 0.000 0.437 493 C N 0.029 119.319 119.300 -0.017 0.000 2.413 493 C HA -0.187 4.273 4.460 -0.000 0.000 0.276 493 C C 2.924 177.918 174.990 0.006 0.000 1.248 493 C CA 0.934 59.947 59.018 -0.008 0.000 1.742 493 C CB -1.056 26.672 27.740 -0.020 0.000 2.017 493 C HN 0.601 nan 8.230 nan 0.000 0.481 494 A N -0.166 122.660 122.820 0.010 0.000 2.239 494 A HA 0.014 4.334 4.320 -0.000 0.000 0.209 494 A C 1.845 179.448 177.584 0.031 0.000 1.171 494 A CA 1.890 53.938 52.037 0.017 0.000 0.768 494 A CB -0.500 18.510 19.000 0.016 0.000 0.790 494 A HN 0.741 nan 8.150 nan 0.000 0.478 495 T N -6.272 108.309 114.554 0.044 0.000 3.046 495 T HA 0.327 4.677 4.350 -0.000 0.000 0.270 495 T C 1.038 175.781 174.700 0.072 0.000 0.920 495 T CA 0.204 62.342 62.100 0.064 0.000 0.874 495 T CB -0.099 68.824 68.868 0.093 0.000 1.214 495 T HN 0.220 nan 8.240 nan 0.000 0.536 496 M N 0.738 120.378 119.600 0.066 0.000 2.300 496 M HA 0.467 4.947 4.480 -0.000 0.000 0.313 496 M C -0.384 175.948 176.300 0.054 0.000 0.988 496 M CA -0.042 55.303 55.300 0.075 0.000 1.012 496 M CB 1.058 33.717 32.600 0.099 0.000 1.586 496 M HN 0.099 nan 8.290 nan 0.000 0.562 497 L N 1.965 123.208 121.223 0.034 0.000 2.276 497 L HA 0.310 4.650 4.340 -0.000 0.000 0.286 497 L C 0.208 177.088 176.870 0.016 0.000 1.061 497 L CA -0.353 54.497 54.840 0.017 0.000 0.807 497 L CB 1.043 43.102 42.059 -0.000 0.000 1.177 497 L HN 0.063 nan 8.230 nan 0.000 0.429 498 K N 4.696 125.104 120.400 0.014 0.000 2.416 498 K HA 0.198 4.518 4.320 -0.000 0.000 0.283 498 K C -2.206 174.394 176.600 0.001 0.000 1.037 498 K CA -1.559 54.735 56.287 0.013 0.000 0.995 498 K CB 0.389 32.899 32.500 0.016 0.000 0.938 498 K HN 0.259 nan 8.250 nan 0.000 0.475 499 P HA 0.038 nan 4.420 nan 0.000 0.269 499 P C -0.463 176.831 177.300 -0.010 0.000 1.209 499 P CA 0.013 63.110 63.100 -0.004 0.000 0.776 499 P CB 0.393 32.094 31.700 0.001 0.000 0.876 500 I N -2.487 118.071 120.570 -0.020 0.000 2.865 500 I HA 0.549 4.719 4.170 -0.000 0.000 0.302 500 I C -0.510 175.591 176.117 -0.027 0.000 1.140 500 I CA -1.289 59.996 61.300 -0.025 0.000 1.021 500 I CB 2.594 40.569 38.000 -0.042 0.000 1.233 500 I HN 0.186 nan 8.210 nan 0.000 0.427 501 E N 2.792 122.980 120.200 -0.021 0.000 2.318 501 E HA 0.327 4.677 4.350 -0.000 0.000 0.265 501 E C -0.886 175.696 176.600 -0.030 0.000 1.069 501 E CA -0.936 55.455 56.400 -0.016 0.000 0.893 501 E CB 1.070 30.770 29.700 0.000 0.000 1.076 501 E HN 0.443 nan 8.360 nan 0.000 0.414 502 K N 0.261 120.649 120.400 -0.021 0.000 2.469 502 K HA 0.144 4.464 4.320 -0.000 0.000 0.274 502 K C 0.913 177.513 176.600 0.001 0.000 0.983 502 K CA 0.822 57.093 56.287 -0.025 0.000 0.974 502 K CB 0.184 32.687 32.500 0.004 0.000 0.913 502 K HN 0.834 nan 8.250 nan 0.000 0.493 503 G N 1.985 110.786 108.800 0.002 0.000 2.199 503 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.254 503 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.254 503 G C 0.211 175.185 174.900 0.124 0.000 0.982 503 G CA 0.263 45.446 45.100 0.138 0.000 0.632 503 G HN 0.718 nan 8.290 nan 0.000 0.529 504 D N 0.889 121.280 120.400 -0.015 0.000 2.368 504 D HA 0.155 4.795 4.640 -0.000 0.000 0.250 504 D C 0.928 177.184 176.300 -0.073 0.000 1.142 504 D CA 0.017 54.004 54.000 -0.022 0.000 0.925 504 D CB -0.528 40.240 40.800 -0.054 0.000 0.896 504 D HN 0.705 nan 8.370 nan 0.000 0.525 505 H N -0.041 119.018 119.070 -0.018 0.000 3.232 505 H HA 0.054 4.610 4.556 0.000 0.000 0.276 505 H C 1.836 176.922 175.328 -0.403 0.000 0.882 505 H CA 1.056 57.052 56.048 -0.086 0.000 1.415 505 H CB 0.033 29.858 29.762 0.104 0.000 1.405 505 H HN 0.233 nan 8.280 nan 0.000 0.543 506 G N 3.232 111.919 108.800 -0.187 0.000 2.280 506 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.282 506 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.282 506 G C 0.128 174.840 174.900 -0.314 0.000 1.000 506 G CA 0.755 45.705 45.100 -0.251 0.000 0.751 506 G HN 0.957 nan 8.290 nan 0.000 0.515 507 E N -2.023 118.014 120.200 -0.272 0.000 2.332 507 E HA -0.270 4.080 4.350 -0.000 0.000 0.162 507 E C 0.596 177.132 176.600 -0.107 0.000 1.637 507 E CA 0.599 56.919 56.400 -0.134 0.000 0.654 507 E CB -1.347 28.321 29.700 -0.053 0.000 1.072 507 E HN 0.882 nan 8.360 nan 0.000 0.336 508 H N 0.452 119.557 119.070 0.059 0.000 2.568 508 H HA 0.005 4.561 4.556 0.000 0.000 0.281 508 H C 0.107 175.474 175.328 0.065 0.000 1.028 508 H CA 0.868 56.948 56.048 0.054 0.000 1.199 508 H CB 0.179 29.970 29.762 0.048 0.000 1.352 508 H HN 0.144 nan 8.280 nan 0.000 0.605 509 K N 0.789 121.278 120.400 0.148 0.000 2.527 509 K HA 0.512 4.832 4.320 -0.000 0.000 0.240 509 K C -0.194 176.475 176.600 0.116 0.000 0.989 509 K CA -0.379 55.984 56.287 0.126 0.000 0.985 509 K CB 1.994 34.560 32.500 0.110 0.000 1.221 509 K HN 0.292 nan 8.250 nan 0.000 0.458 510 G N 0.456 109.333 108.800 0.128 0.000 2.428 510 G HA2 0.432 4.392 3.960 -0.000 0.000 0.304 510 G HA3 0.432 4.392 3.960 -0.000 0.000 0.304 510 G C -0.142 174.838 174.900 0.133 0.000 1.303 510 G CA -0.381 44.802 45.100 0.138 0.000 0.825 510 G HN 0.470 nan 8.290 nan 0.000 0.484 511 G N -0.604 108.270 108.800 0.122 0.000 3.078 511 G HA2 0.318 4.278 3.960 -0.000 0.000 0.163 511 G HA3 0.318 4.278 3.960 -0.000 0.000 0.163 511 G C 1.331 176.311 174.900 0.134 0.000 1.894 511 G CA 0.989 46.151 45.100 0.103 0.000 0.951 511 G HN 0.855 nan 8.290 nan 0.000 0.446 512 F N 0.561 120.474 119.950 -0.062 0.000 2.095 512 F HA -0.030 4.497 4.527 -0.000 0.000 0.298 512 F C 2.502 178.398 175.800 0.160 0.000 1.104 512 F CA 1.780 59.769 58.000 -0.018 0.000 1.232 512 F CB -0.503 38.375 39.000 -0.203 0.000 0.987 512 F HN 0.188 nan 8.300 nan 0.000 0.475 513 F N 0.804 120.735 119.950 -0.032 0.000 2.192 513 F HA -0.180 4.347 4.527 0.000 0.000 0.301 513 F C 2.666 178.417 175.800 -0.082 0.000 1.079 513 F CA 0.532 58.446 58.000 -0.143 0.000 1.303 513 F CB -1.232 37.790 39.000 0.037 0.000 1.024 513 F HN 0.194 nan 8.300 nan 0.000 0.494 514 G N 0.766 109.671 108.800 0.175 0.000 2.587 514 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.217 514 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.217 514 G C 1.431 176.409 174.900 0.130 0.000 1.240 514 G CA 0.772 45.960 45.100 0.148 0.000 0.794 514 G HN 0.613 nan 8.290 nan 0.000 0.580 515 W N 0.692 121.980 121.300 -0.019 0.000 2.304 515 W HA -0.241 4.419 4.660 -0.000 0.000 0.315 515 W C 2.070 178.584 176.519 -0.008 0.000 1.233 515 W CA 1.769 59.107 57.345 -0.011 0.000 1.261 515 W CB -0.731 28.721 29.460 -0.014 0.000 1.150 515 W HN 0.193 nan 8.180 nan 0.000 0.494 516 F N 2.795 122.502 119.950 -0.405 0.000 2.051 516 F HA -0.243 4.284 4.527 -0.000 0.000 0.296 516 F C 2.356 177.971 175.800 -0.308 0.000 1.122 516 F CA 2.554 60.260 58.000 -0.489 0.000 1.201 516 F CB -1.229 37.489 39.000 -0.470 0.000 0.978 516 F HN -0.189 nan 8.300 nan 0.000 0.472 517 N N 0.693 119.260 118.700 -0.222 0.000 2.137 517 N HA -0.209 4.531 4.740 -0.000 0.000 0.190 517 N C 1.916 177.329 175.510 -0.161 0.000 1.017 517 N CA 1.741 54.660 53.050 -0.219 0.000 0.859 517 N CB -0.437 37.985 38.487 -0.108 0.000 1.002 517 N HN 0.418 nan 8.380 nan 0.000 0.428 518 R N 0.259 120.686 120.500 -0.121 0.000 2.075 518 R HA 0.047 4.387 4.340 -0.000 0.000 0.232 518 R C 2.290 178.439 176.300 -0.251 0.000 1.126 518 R CA 0.760 56.815 56.100 -0.075 0.000 0.963 518 R CB -0.298 29.977 30.300 -0.042 0.000 0.858 518 R HN 0.188 nan 8.270 nan 0.000 0.435 519 M N 0.100 119.392 119.600 -0.513 0.000 2.149 519 M HA -0.175 4.305 4.480 -0.000 0.000 0.261 519 M C 1.601 177.695 176.300 -0.342 0.000 1.064 519 M CA 1.791 56.731 55.300 -0.600 0.000 1.102 519 M CB -0.223 31.808 32.600 -0.949 0.000 1.369 519 M HN 0.128 nan 8.290 nan 0.000 0.408 520 F N 0.571 120.195 119.950 -0.544 0.000 2.188 520 F HA 0.090 4.617 4.527 0.000 0.000 0.289 520 F C 1.721 177.360 175.800 -0.270 0.000 1.082 520 F CA 0.847 58.589 58.000 -0.431 0.000 1.282 520 F CB -0.283 38.357 39.000 -0.600 0.000 1.060 520 F HN -0.021 nan 8.300 nan 0.000 0.493 521 L N -0.183 120.975 121.223 -0.109 0.000 2.821 521 L HA -0.057 4.283 4.340 -0.000 0.000 0.254 521 L C 1.157 177.964 176.870 -0.104 0.000 1.151 521 L CA 0.341 55.110 54.840 -0.120 0.000 0.937 521 L CB -0.785 41.304 42.059 0.050 0.000 1.141 521 L HN 0.178 nan 8.230 nan 0.000 0.425 522 S N -2.404 113.216 115.700 -0.133 0.000 3.056 522 S HA -0.070 4.400 4.470 -0.000 0.000 0.255 522 S C 1.793 176.357 174.600 -0.060 0.000 1.079 522 S CA 0.470 58.677 58.200 0.011 0.000 0.810 522 S CB 0.495 63.675 63.200 -0.034 0.000 0.810 522 S HN 0.353 nan 8.310 nan 0.000 0.477 523 T N 2.802 117.242 114.554 -0.191 0.000 2.915 523 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 523 T C 2.026 176.591 174.700 -0.225 0.000 1.071 523 T CA 2.173 64.169 62.100 -0.173 0.000 1.132 523 T CB -0.707 68.049 68.868 -0.185 0.000 0.878 523 T HN 0.621 nan 8.240 nan 0.000 0.479 524 T N -1.259 113.025 114.554 -0.448 0.000 2.803 524 T HA -0.163 4.187 4.350 -0.000 0.000 0.269 524 T C 1.574 176.166 174.700 -0.181 0.000 1.052 524 T CA 1.774 63.642 62.100 -0.387 0.000 1.136 524 T CB -0.750 67.795 68.868 -0.538 0.000 0.864 524 T HN 0.653 nan 8.240 nan 0.000 0.467 525 H N 1.027 120.044 119.070 -0.088 0.000 2.357 525 H HA 0.206 4.762 4.556 0.000 0.000 0.301 525 H C 2.757 178.069 175.328 -0.027 0.000 1.082 525 H CA 0.957 56.969 56.048 -0.059 0.000 1.342 525 H CB -0.601 29.119 29.762 -0.070 0.000 1.389 525 H HN 0.495 nan 8.280 nan 0.000 0.511 526 G N 0.151 109.019 108.800 0.114 0.000 2.440 526 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.218 526 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.218 526 G C 1.540 176.537 174.900 0.162 0.000 1.154 526 G CA 1.070 46.232 45.100 0.104 0.000 0.767 526 G HN 0.461 nan 8.290 nan 0.000 0.552 527 Y N 1.676 122.004 120.300 0.047 0.000 2.207 527 Y HA -0.120 4.430 4.550 -0.000 0.000 0.287 527 Y C 2.608 178.559 175.900 0.085 0.000 1.156 527 Y CA 1.977 60.140 58.100 0.105 0.000 1.182 527 Y CB -0.332 38.069 38.460 -0.098 0.000 0.979 527 Y HN 0.402 nan 8.280 nan 0.000 0.521 528 E N 0.127 120.222 120.200 -0.175 0.000 2.012 528 E HA -0.263 4.087 4.350 -0.000 0.000 0.197 528 E C 2.262 178.777 176.600 -0.142 0.000 1.007 528 E CA 1.630 57.888 56.400 -0.236 0.000 0.816 528 E CB -0.279 29.371 29.700 -0.084 0.000 0.762 528 E HN 0.473 nan 8.360 nan 0.000 0.451 529 R N 0.231 120.703 120.500 -0.047 0.000 2.140 529 R HA -0.193 4.147 4.340 -0.000 0.000 0.250 529 R C 2.487 178.762 176.300 -0.042 0.000 1.150 529 R CA 1.377 57.457 56.100 -0.034 0.000 0.966 529 R CB -0.764 29.535 30.300 -0.003 0.000 0.869 529 R HN 0.263 nan 8.270 nan 0.000 0.445 530 G N 0.528 109.328 108.800 -0.000 0.000 2.480 530 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 530 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 530 G C 1.494 176.359 174.900 -0.059 0.000 1.200 530 G CA 1.088 46.192 45.100 0.007 0.000 0.782 530 G HN 0.162 nan 8.290 nan 0.000 0.554 531 V N 1.874 121.742 119.914 -0.076 0.000 2.255 531 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 531 V C 3.382 179.360 176.094 -0.193 0.000 1.051 531 V CA 2.190 64.392 62.300 -0.164 0.000 1.018 531 V CB -1.198 30.431 31.823 -0.323 0.000 0.641 531 V HN 0.503 nan 8.190 nan 0.000 0.445 532 A N -0.429 122.289 122.820 -0.169 0.000 1.917 532 A HA -0.301 4.019 4.320 -0.000 0.000 0.219 532 A C 2.568 180.057 177.584 -0.158 0.000 1.182 532 A CA 2.620 54.569 52.037 -0.146 0.000 0.633 532 A CB -0.900 18.033 19.000 -0.111 0.000 0.819 532 A HN 0.518 nan 8.150 nan 0.000 0.448 533 S N -0.106 115.514 115.700 -0.134 0.000 2.343 533 S HA -0.177 4.293 4.470 -0.000 0.000 0.219 533 S C 2.072 176.568 174.600 -0.173 0.000 1.033 533 S CA 1.579 59.721 58.200 -0.097 0.000 1.014 533 S CB -0.654 62.533 63.200 -0.021 0.000 0.915 533 S HN 0.825 nan 8.310 nan 0.000 0.435 534 I N 0.078 120.445 120.570 -0.337 0.000 2.335 534 I HA -0.110 4.060 4.170 -0.000 0.000 0.251 534 I C 2.028 177.858 176.117 -0.478 0.000 1.129 534 I CA 1.546 62.445 61.300 -0.670 0.000 1.402 534 I CB -0.391 36.833 38.000 -1.295 0.000 1.069 534 I HN 0.308 nan 8.210 nan 0.000 0.424 535 L N 0.747 121.758 121.223 -0.353 0.000 2.265 535 L HA -0.142 4.197 4.340 -0.000 0.000 0.215 535 L C 2.551 179.267 176.870 -0.257 0.000 1.117 535 L CA 1.400 56.078 54.840 -0.270 0.000 0.782 535 L CB -0.435 41.503 42.059 -0.202 0.000 0.914 535 L HN 0.306 nan 8.230 nan 0.000 0.441 536 K N -1.130 119.074 120.400 -0.326 0.000 2.166 536 K HA 0.009 4.329 4.320 -0.000 0.000 0.201 536 K C 0.118 176.418 176.600 -0.501 0.000 1.052 536 K CA 0.625 56.650 56.287 -0.438 0.000 0.969 536 K CB 0.133 32.280 32.500 -0.588 0.000 0.761 536 K HN 0.368 nan 8.250 nan 0.000 0.459 537 H N 0.439 119.433 119.070 -0.127 0.000 2.556 537 H HA 0.263 4.819 4.556 -0.000 0.000 0.240 537 H C 0.430 175.714 175.328 -0.074 0.000 1.543 537 H CA -0.440 55.572 56.048 -0.061 0.000 1.287 537 H CB 0.727 30.494 29.762 0.009 0.000 1.529 537 H HN 0.039 nan 8.280 nan 0.000 0.553 538 R N 1.387 121.875 120.500 -0.020 0.000 2.048 538 R HA 0.025 4.365 4.340 -0.000 0.000 0.224 538 R C 2.333 178.669 176.300 0.059 0.000 1.163 538 R CA 0.934 57.001 56.100 -0.055 0.000 0.956 538 R CB -0.283 29.959 30.300 -0.096 0.000 0.849 538 R HN 0.505 nan 8.270 nan 0.000 0.435 539 A N 2.530 125.384 122.820 0.057 0.000 1.944 539 A HA -0.208 4.112 4.320 -0.000 0.000 0.222 539 A C -0.313 177.338 177.584 0.112 0.000 1.237 539 A CA 2.190 54.271 52.037 0.074 0.000 0.668 539 A CB -1.832 17.202 19.000 0.057 0.000 0.830 539 A HN 0.278 nan 8.150 nan 0.000 0.471 540 P HA -0.188 nan 4.420 nan 0.000 0.215 540 P C 1.164 178.523 177.300 0.097 0.000 1.157 540 P CA 1.673 64.831 63.100 0.097 0.000 0.868 540 P CB -0.335 31.419 31.700 0.090 0.000 0.788 541 Y N -0.173 120.126 120.300 -0.001 0.000 2.163 541 Y HA -0.107 4.442 4.550 -0.000 0.000 0.288 541 Y C 2.623 178.699 175.900 0.293 0.000 1.136 541 Y CA 0.288 58.394 58.100 0.010 0.000 1.147 541 Y CB -1.039 37.144 38.460 -0.462 0.000 0.987 541 Y HN -0.235 nan 8.280 nan 0.000 0.509 542 L N 0.049 121.455 121.223 0.305 0.000 2.270 542 L HA -0.257 4.083 4.340 -0.000 0.000 0.217 542 L C 1.947 179.027 176.870 0.351 0.000 1.107 542 L CA 1.685 56.703 54.840 0.295 0.000 0.772 542 L CB -1.417 40.723 42.059 0.135 0.000 0.902 542 L HN 0.411 nan 8.230 nan 0.000 0.439 543 L N -0.558 120.826 121.223 0.267 0.000 2.034 543 L HA -0.126 4.214 4.340 -0.000 0.000 0.203 543 L C 2.492 179.479 176.870 0.196 0.000 1.074 543 L CA 0.977 55.932 54.840 0.191 0.000 0.748 543 L CB -0.417 41.707 42.059 0.107 0.000 0.905 543 L HN 0.196 nan 8.230 nan 0.000 0.439 544 I N -1.990 118.711 120.570 0.218 0.000 2.567 544 I HA -0.318 3.852 4.170 -0.000 0.000 0.257 544 I C 2.578 178.777 176.117 0.136 0.000 1.184 544 I CA 1.337 62.735 61.300 0.163 0.000 1.451 544 I CB -0.344 37.753 38.000 0.162 0.000 1.089 544 I HN 0.222 nan 8.210 nan 0.000 0.441 545 Y N 1.972 122.343 120.300 0.119 0.000 2.114 545 Y HA -0.193 4.357 4.550 -0.000 0.000 0.284 545 Y C 2.375 178.271 175.900 -0.006 0.000 1.143 545 Y CA 2.376 60.416 58.100 -0.100 0.000 1.135 545 Y CB -0.688 37.854 38.460 0.137 0.000 0.980 545 Y HN 0.001 nan 8.280 nan 0.000 0.499 546 V N -0.355 119.624 119.914 0.109 0.000 2.380 546 V HA -0.356 3.764 4.120 -0.000 0.000 0.251 546 V C 2.398 178.429 176.094 -0.105 0.000 1.063 546 V CA 1.705 63.992 62.300 -0.021 0.000 1.055 546 V CB -1.028 30.863 31.823 0.112 0.000 0.657 546 V HN 0.421 nan 8.190 nan 0.000 0.455 547 V N 0.647 120.525 119.914 -0.060 0.000 2.220 547 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 547 V C 2.307 178.322 176.094 -0.131 0.000 1.049 547 V CA 2.668 64.922 62.300 -0.078 0.000 1.003 547 V CB -0.581 31.214 31.823 -0.047 0.000 0.634 547 V HN 0.680 nan 8.190 nan 0.000 0.444 548 I N -0.896 119.570 120.570 -0.173 0.000 2.361 548 I HA -0.164 4.006 4.170 -0.000 0.000 0.251 548 I C 2.264 178.255 176.117 -0.211 0.000 1.133 548 I CA 1.640 62.831 61.300 -0.182 0.000 1.413 548 I CB -0.494 37.381 38.000 -0.207 0.000 1.073 548 I HN 0.119 nan 8.210 nan 0.000 0.424 549 V N 2.138 121.850 119.914 -0.337 0.000 2.380 549 V HA -0.337 3.783 4.120 -0.000 0.000 0.251 549 V C 3.105 179.110 176.094 -0.148 0.000 1.063 549 V CA 2.195 64.308 62.300 -0.313 0.000 1.055 549 V CB -1.214 30.345 31.823 -0.439 0.000 0.657 549 V HN 0.688 nan 8.190 nan 0.000 0.455 550 A N 0.199 122.953 122.820 -0.111 0.000 1.873 550 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 550 A C 2.455 180.060 177.584 0.034 0.000 1.186 550 A CA 1.772 53.791 52.037 -0.031 0.000 0.616 550 A CB -1.280 17.695 19.000 -0.041 0.000 0.823 550 A HN 0.539 nan 8.150 nan 0.000 0.442 551 G N -0.723 108.068 108.800 -0.015 0.000 2.475 551 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.220 551 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.220 551 G C 1.602 176.586 174.900 0.141 0.000 1.125 551 G CA 1.318 46.442 45.100 0.039 0.000 0.755 551 G HN 0.481 nan 8.290 nan 0.000 0.565 552 M N 0.815 120.450 119.600 0.060 0.000 2.081 552 M HA 0.034 4.514 4.480 -0.000 0.000 0.261 552 M C 2.511 178.888 176.300 0.128 0.000 1.075 552 M CA 1.457 56.801 55.300 0.073 0.000 1.133 552 M CB -0.229 32.359 32.600 -0.019 0.000 1.330 552 M HN 0.361 nan 8.290 nan 0.000 0.414 553 I N -2.009 118.606 120.570 0.075 0.000 3.241 553 I HA -0.195 3.975 4.170 -0.000 0.000 0.280 553 I C 2.003 178.222 176.117 0.169 0.000 1.320 553 I CA 0.507 61.846 61.300 0.065 0.000 1.413 553 I CB -0.985 37.016 38.000 0.000 0.000 1.060 553 I HN 0.594 nan 8.210 nan 0.000 0.500 554 W N 1.955 123.270 121.300 0.025 0.000 2.783 554 W HA 0.010 4.670 4.660 0.000 0.000 0.287 554 W C 2.257 178.810 176.519 0.057 0.000 1.085 554 W CA 0.243 57.606 57.345 0.030 0.000 1.646 554 W CB -0.104 29.359 29.460 0.004 0.000 1.135 554 W HN -0.018 nan 8.180 nan 0.000 0.548 555 M N 0.813 120.558 119.600 0.242 0.000 2.089 555 M HA -0.261 4.219 4.480 -0.000 0.000 0.257 555 M C 2.236 178.530 176.300 -0.010 0.000 1.071 555 M CA 1.896 57.248 55.300 0.086 0.000 1.096 555 M CB -2.038 30.665 32.600 0.172 0.000 1.330 555 M HN 0.086 nan 8.290 nan 0.000 0.403 556 F N 0.724 120.647 119.950 -0.045 0.000 2.091 556 F HA -0.269 4.258 4.527 -0.000 0.000 0.299 556 F C 2.609 178.345 175.800 -0.106 0.000 1.103 556 F CA 2.112 60.086 58.000 -0.043 0.000 1.228 556 F CB -0.282 38.706 39.000 -0.020 0.000 0.984 556 F HN 0.153 nan 8.300 nan 0.000 0.477 557 T N -0.191 114.439 114.554 0.127 0.000 3.160 557 T HA 0.019 4.369 4.350 -0.000 0.000 0.257 557 T C 1.279 175.857 174.700 -0.204 0.000 1.147 557 T CA 0.461 62.556 62.100 -0.008 0.000 1.064 557 T CB -0.317 68.509 68.868 -0.070 0.000 0.949 557 T HN 0.211 nan 8.240 nan 0.000 0.526 558 R N 1.171 121.494 120.500 -0.295 0.000 2.700 558 R HA 0.353 4.693 4.340 -0.000 0.000 0.399 558 R C -0.295 175.860 176.300 -0.243 0.000 1.115 558 R CA -0.147 55.757 56.100 -0.327 0.000 1.058 558 R CB 0.379 30.370 30.300 -0.516 0.000 1.389 558 R HN 0.513 nan 8.270 nan 0.000 0.582 559 I N -2.350 118.070 120.570 -0.251 0.000 2.545 559 I HA 0.606 4.776 4.170 -0.000 0.000 0.292 559 I C -2.720 173.244 176.117 -0.255 0.000 1.040 559 I CA -2.867 58.272 61.300 -0.268 0.000 1.068 559 I CB 2.157 39.936 38.000 -0.368 0.000 1.251 559 I HN -0.175 nan 8.210 nan 0.000 0.424 560 P HA 0.061 nan 4.420 nan 0.000 0.263 560 P C -0.253 176.944 177.300 -0.172 0.000 1.195 560 P CA 0.138 63.141 63.100 -0.161 0.000 0.762 560 P CB 0.491 32.113 31.700 -0.129 0.000 0.799 561 T N 1.903 116.381 114.554 -0.127 0.000 2.851 561 T HA 0.584 4.934 4.350 -0.000 0.000 0.298 561 T C -0.135 174.533 174.700 -0.054 0.000 0.977 561 T CA -0.096 61.948 62.100 -0.093 0.000 1.126 561 T CB -0.041 68.788 68.868 -0.065 0.000 0.916 561 T HN 0.437 nan 8.240 nan 0.000 0.529 562 A N 3.874 126.685 122.820 -0.014 0.000 2.525 562 A HA 0.843 5.163 4.320 -0.000 0.000 0.291 562 A C -0.496 177.179 177.584 0.152 0.000 1.268 562 A CA -0.782 51.282 52.037 0.046 0.000 0.712 562 A CB 0.858 19.874 19.000 0.027 0.000 1.320 562 A HN 0.822 nan 8.150 nan 0.000 0.456 563 F N -0.916 119.040 119.950 0.010 0.000 2.199 563 F HA 0.635 5.162 4.527 -0.000 0.000 0.244 563 F C -0.485 175.381 175.800 0.110 0.000 1.027 563 F CA 0.090 58.108 58.000 0.030 0.000 1.207 563 F CB 0.136 39.133 39.000 -0.005 0.000 1.500 563 F HN 0.348 nan 8.300 nan 0.000 0.622 564 L N 1.402 122.665 121.223 0.067 0.000 2.354 564 L HA 0.479 4.819 4.340 -0.000 0.000 0.269 564 L C -2.465 174.476 176.870 0.117 0.000 1.005 564 L CA -2.069 52.799 54.840 0.046 0.000 0.819 564 L CB 1.760 43.831 42.059 0.021 0.000 1.311 564 L HN -0.004 nan 8.230 nan 0.000 0.423 565 P HA 0.096 nan 4.420 nan 0.000 0.271 565 P C -1.160 176.185 177.300 0.075 0.000 1.220 565 P CA -0.400 62.719 63.100 0.031 0.000 0.768 565 P CB 0.338 32.002 31.700 -0.059 0.000 0.848 566 D N 2.531 122.964 120.400 0.054 0.000 2.449 566 D HA 0.041 4.681 4.640 -0.000 0.000 0.236 566 D C 0.276 176.744 176.300 0.281 0.000 1.149 566 D CA 0.846 54.942 54.000 0.161 0.000 0.878 566 D CB 0.454 41.154 40.800 -0.167 0.000 1.198 566 D HN 0.381 nan 8.370 nan 0.000 0.446 567 E N 0.937 121.432 120.200 0.491 0.000 2.274 567 E HA 0.057 4.407 4.350 -0.000 0.000 0.269 567 E C -1.151 175.649 176.600 0.333 0.000 0.891 567 E CA -0.713 55.910 56.400 0.371 0.000 0.784 567 E CB 2.080 31.905 29.700 0.209 0.000 1.225 567 E HN 0.297 nan 8.360 nan 0.000 0.412 568 D N 2.695 123.282 120.400 0.312 0.000 2.426 568 D HA -0.070 4.570 4.640 -0.000 0.000 0.261 568 D C -0.156 176.396 176.300 0.420 0.000 1.245 568 D CA 0.972 55.105 54.000 0.221 0.000 0.917 568 D CB 0.620 41.602 40.800 0.304 0.000 1.123 568 D HN 0.429 nan 8.370 nan 0.000 0.508 569 Q N 1.975 121.992 119.800 0.361 0.000 2.165 569 Q HA 0.271 4.611 4.340 -0.000 0.000 0.245 569 Q C 0.970 177.141 176.000 0.286 0.000 0.841 569 Q CA -0.118 55.980 55.803 0.491 0.000 1.078 569 Q CB 0.639 29.564 28.738 0.311 0.000 1.169 569 Q HN 0.753 nan 8.270 nan 0.000 0.475 570 G N 0.450 109.268 108.800 0.029 0.000 2.321 570 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.287 570 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.287 570 G C -0.183 174.626 174.900 -0.151 0.000 1.018 570 G CA 0.623 45.538 45.100 -0.308 0.000 0.855 570 G HN 0.278 nan 8.290 nan 0.000 0.507 571 V N -0.373 119.510 119.914 -0.052 0.000 3.048 571 V HA 0.832 4.952 4.120 -0.000 0.000 0.303 571 V C -0.148 175.920 176.094 -0.044 0.000 1.214 571 V CA -0.797 61.480 62.300 -0.037 0.000 0.984 571 V CB 2.466 34.302 31.823 0.022 0.000 1.054 571 V HN 0.484 nan 8.190 nan 0.000 0.430 572 L N 2.549 123.696 121.223 -0.127 0.000 2.518 572 L HA 0.716 5.056 4.340 -0.000 0.000 0.257 572 L C -2.049 174.666 176.870 -0.258 0.000 0.980 572 L CA -0.405 54.389 54.840 -0.078 0.000 0.837 572 L CB 2.649 44.707 42.059 -0.001 0.000 1.410 572 L HN 0.592 nan 8.230 nan 0.000 0.410 573 F N 1.853 121.895 119.950 0.154 0.000 2.520 573 F HA 0.743 5.270 4.527 -0.000 0.000 0.322 573 F C 0.199 175.834 175.800 -0.274 0.000 1.103 573 F CA -0.535 57.468 58.000 0.005 0.000 0.926 573 F CB 2.195 41.382 39.000 0.312 0.000 1.154 573 F HN 0.387 nan 8.300 nan 0.000 0.453 574 A N 3.249 126.021 122.820 -0.080 0.000 2.340 574 A HA 0.584 4.904 4.320 -0.000 0.000 0.297 574 A C -0.962 176.507 177.584 -0.191 0.000 1.195 574 A CA -0.622 51.325 52.037 -0.150 0.000 0.769 574 A CB 0.696 19.685 19.000 -0.018 0.000 1.163 574 A HN 0.757 nan 8.150 nan 0.000 0.472 575 Q N 1.642 121.310 119.800 -0.219 0.000 2.340 575 Q HA 0.462 4.802 4.340 -0.000 0.000 0.259 575 Q C -0.840 175.108 176.000 -0.087 0.000 0.964 575 Q CA -0.484 55.257 55.803 -0.104 0.000 0.900 575 Q CB 2.157 30.924 28.738 0.050 0.000 1.228 575 Q HN 0.547 nan 8.270 nan 0.000 0.449 576 V N 3.233 123.064 119.914 -0.138 0.000 2.407 576 V HA 0.135 4.255 4.120 -0.000 0.000 0.278 576 V C -0.134 175.898 176.094 -0.103 0.000 1.037 576 V CA -0.427 61.764 62.300 -0.180 0.000 0.900 576 V CB 1.417 33.091 31.823 -0.249 0.000 0.983 576 V HN 0.656 nan 8.190 nan 0.000 0.459 577 Q N 3.183 122.936 119.800 -0.079 0.000 2.788 577 Q HA 0.297 4.637 4.340 -0.000 0.000 0.261 577 Q C -0.082 175.890 176.000 -0.048 0.000 1.029 577 Q CA 0.009 55.795 55.803 -0.028 0.000 0.848 577 Q CB 0.983 29.749 28.738 0.046 0.000 1.185 577 Q HN 0.821 nan 8.270 nan 0.000 0.482 578 T N 3.054 117.565 114.554 -0.071 0.000 2.900 578 T HA 0.267 4.617 4.350 -0.000 0.000 0.307 578 T C -2.244 172.441 174.700 -0.026 0.000 1.065 578 T CA -1.092 60.968 62.100 -0.067 0.000 1.105 578 T CB 0.437 69.260 68.868 -0.076 0.000 0.979 578 T HN 0.385 nan 8.240 nan 0.000 0.544 579 P HA 0.090 nan 4.420 nan 0.000 0.269 579 P C -2.523 174.789 177.300 0.019 0.000 1.205 579 P CA -0.910 62.194 63.100 0.006 0.000 0.780 579 P CB -0.452 31.254 31.700 0.010 0.000 0.858 580 P HA 0.036 nan 4.420 nan 0.000 0.265 580 P C 1.001 178.332 177.300 0.053 0.000 1.193 580 P CA 1.318 64.443 63.100 0.042 0.000 0.765 580 P CB -0.001 31.731 31.700 0.053 0.000 0.823 581 G N 1.813 110.641 108.800 0.048 0.000 2.189 581 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.267 581 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.267 581 G C 0.516 175.450 174.900 0.055 0.000 0.975 581 G CA 0.291 45.424 45.100 0.056 0.000 0.644 581 G HN 0.586 nan 8.290 nan 0.000 0.537 582 S N 0.337 116.062 115.700 0.042 0.000 2.569 582 S HA 0.477 4.947 4.470 -0.000 0.000 0.274 582 S C 1.016 175.633 174.600 0.028 0.000 1.353 582 S CA 0.304 58.524 58.200 0.033 0.000 1.023 582 S CB 1.170 64.378 63.200 0.014 0.000 0.876 582 S HN 1.576 nan 8.310 nan 0.000 0.540 583 S N 1.063 116.777 115.700 0.024 0.000 2.592 583 S HA 0.470 4.940 4.470 -0.000 0.000 0.271 583 S C 1.242 175.849 174.600 0.011 0.000 1.326 583 S CA -0.403 57.810 58.200 0.022 0.000 1.024 583 S CB 1.007 64.219 63.200 0.021 0.000 0.921 583 S HN 0.806 nan 8.310 nan 0.000 0.527 584 A N 1.585 124.415 122.820 0.016 0.000 1.978 584 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 584 A C 1.995 179.580 177.584 0.001 0.000 1.170 584 A CA 1.601 53.647 52.037 0.014 0.000 0.636 584 A CB -0.880 18.138 19.000 0.030 0.000 0.810 584 A HN 0.964 nan 8.150 nan 0.000 0.448 585 E N -1.162 119.038 120.200 0.000 0.000 2.358 585 E HA -0.093 4.257 4.350 -0.000 0.000 0.195 585 E C 2.137 178.728 176.600 -0.015 0.000 1.010 585 E CA 0.631 57.026 56.400 -0.007 0.000 0.856 585 E CB -0.047 29.650 29.700 -0.005 0.000 0.795 585 E HN 0.647 nan 8.360 nan 0.000 0.504 586 R N 0.533 121.024 120.500 -0.014 0.000 2.100 586 R HA -0.040 4.300 4.340 -0.000 0.000 0.220 586 R C 2.023 178.295 176.300 -0.047 0.000 1.091 586 R CA 1.369 57.456 56.100 -0.021 0.000 0.986 586 R CB 0.045 30.340 30.300 -0.009 0.000 0.888 586 R HN -0.006 nan 8.270 nan 0.000 0.444 587 T N 0.925 115.449 114.554 -0.049 0.000 2.701 587 T HA -0.114 4.236 4.350 -0.000 0.000 0.263 587 T C 1.653 176.295 174.700 -0.096 0.000 1.040 587 T CA 0.814 62.866 62.100 -0.080 0.000 1.147 587 T CB -0.176 68.656 68.868 -0.060 0.000 0.865 587 T HN 0.208 nan 8.240 nan 0.000 0.426 588 Q N 0.565 120.324 119.800 -0.068 0.000 2.268 588 Q HA -0.115 4.225 4.340 -0.000 0.000 0.210 588 Q C 2.389 178.341 176.000 -0.079 0.000 0.988 588 Q CA 1.032 56.793 55.803 -0.070 0.000 0.883 588 Q CB -0.530 28.180 28.738 -0.045 0.000 0.911 588 Q HN 0.400 nan 8.270 nan 0.000 0.430 589 V N -0.502 119.368 119.914 -0.073 0.000 2.346 589 V HA -0.185 3.935 4.120 -0.000 0.000 0.244 589 V C 2.400 178.430 176.094 -0.107 0.000 1.037 589 V CA 1.284 63.546 62.300 -0.063 0.000 1.029 589 V CB -0.467 31.334 31.823 -0.036 0.000 0.663 589 V HN 0.101 nan 8.190 nan 0.000 0.454 590 V N 0.121 119.926 119.914 -0.181 0.000 2.490 590 V HA -0.183 3.937 4.120 -0.000 0.000 0.250 590 V C 2.312 178.180 176.094 -0.377 0.000 1.061 590 V CA 1.711 63.789 62.300 -0.369 0.000 1.064 590 V CB -0.674 30.874 31.823 -0.457 0.000 0.670 590 V HN 0.449 nan 8.190 nan 0.000 0.461 591 V N -0.145 119.618 119.914 -0.252 0.000 2.871 591 V HA -0.113 4.007 4.120 -0.000 0.000 0.256 591 V C 2.059 178.065 176.094 -0.146 0.000 1.082 591 V CA 1.491 63.662 62.300 -0.215 0.000 1.105 591 V CB -0.604 31.117 31.823 -0.170 0.000 0.713 591 V HN 0.498 nan 8.190 nan 0.000 0.473 592 D N 0.797 121.130 120.400 -0.111 0.000 2.194 592 D HA -0.076 4.564 4.640 -0.000 0.000 0.204 592 D C 2.451 178.743 176.300 -0.013 0.000 0.964 592 D CA 1.587 55.550 54.000 -0.061 0.000 0.846 592 D CB -0.057 40.716 40.800 -0.045 0.000 0.962 592 D HN 0.590 nan 8.370 nan 0.000 0.490 593 S N 0.152 115.850 115.700 -0.003 0.000 2.419 593 S HA -0.124 4.346 4.470 -0.000 0.000 0.233 593 S C 1.992 176.693 174.600 0.168 0.000 1.016 593 S CA 0.582 58.852 58.200 0.117 0.000 0.974 593 S CB -0.193 63.143 63.200 0.226 0.000 0.786 593 S HN 0.067 nan 8.310 nan 0.000 0.492 594 M N 2.044 121.669 119.600 0.042 0.000 2.180 594 M HA -0.080 4.400 4.480 -0.000 0.000 0.260 594 M C 2.497 178.893 176.300 0.161 0.000 1.071 594 M CA 1.678 57.046 55.300 0.114 0.000 1.096 594 M CB -1.354 31.226 32.600 -0.034 0.000 1.276 594 M HN 0.366 nan 8.290 nan 0.000 0.426 595 R N 0.158 120.693 120.500 0.059 0.000 2.134 595 R HA -0.219 4.121 4.340 -0.000 0.000 0.248 595 R C 2.135 178.466 176.300 0.051 0.000 1.143 595 R CA 2.023 58.140 56.100 0.029 0.000 0.957 595 R CB -0.484 29.802 30.300 -0.023 0.000 0.867 595 R HN 0.569 nan 8.270 nan 0.000 0.441 596 E N -0.419 119.831 120.200 0.083 0.000 2.013 596 E HA -0.271 4.079 4.350 -0.000 0.000 0.202 596 E C 1.855 178.525 176.600 0.117 0.000 1.018 596 E CA 1.680 58.136 56.400 0.094 0.000 0.834 596 E CB -0.429 29.347 29.700 0.127 0.000 0.770 596 E HN 0.335 nan 8.360 nan 0.000 0.459 597 Y N 1.333 121.682 120.300 0.082 0.000 2.228 597 Y HA -0.253 4.297 4.550 -0.000 0.000 0.285 597 Y C 1.747 177.638 175.900 -0.015 0.000 1.178 597 Y CA 1.447 59.564 58.100 0.027 0.000 1.202 597 Y CB -0.044 38.483 38.460 0.112 0.000 0.974 597 Y HN -0.018 nan 8.280 nan 0.000 0.527 598 L N -1.669 119.555 121.223 0.001 0.000 2.194 598 L HA -0.059 4.281 4.340 -0.000 0.000 0.197 598 L C 2.281 179.092 176.870 -0.098 0.000 1.106 598 L CA 0.469 55.258 54.840 -0.084 0.000 0.785 598 L CB -0.859 41.226 42.059 0.043 0.000 0.960 598 L HN 0.024 nan 8.230 nan 0.000 0.465 599 L N -0.059 121.134 121.223 -0.049 0.000 2.263 599 L HA -0.220 4.120 4.340 -0.000 0.000 0.216 599 L C 2.205 179.033 176.870 -0.071 0.000 1.111 599 L CA 1.391 56.194 54.840 -0.062 0.000 0.773 599 L CB -0.156 41.866 42.059 -0.062 0.000 0.906 599 L HN 0.368 nan 8.230 nan 0.000 0.439 600 E N -1.604 118.552 120.200 -0.073 0.000 2.290 600 E HA -0.029 4.321 4.350 -0.000 0.000 0.199 600 E C 1.860 178.400 176.600 -0.101 0.000 0.912 600 E CA 0.114 56.473 56.400 -0.068 0.000 0.924 600 E CB 0.392 30.072 29.700 -0.033 0.000 0.901 600 E HN 0.331 nan 8.360 nan 0.000 0.487 601 K N 1.011 121.308 120.400 -0.173 0.000 2.102 601 K HA 0.055 4.375 4.320 -0.000 0.000 0.208 601 K C 0.543 177.006 176.600 -0.228 0.000 1.027 601 K CA 0.492 56.643 56.287 -0.227 0.000 0.958 601 K CB 0.182 32.459 32.500 -0.371 0.000 0.819 601 K HN -0.148 nan 8.250 nan 0.000 0.453 602 E N 1.743 121.761 120.200 -0.302 0.000 2.467 602 E HA -0.023 4.327 4.350 -0.000 0.000 0.321 602 E C 0.598 177.114 176.600 -0.139 0.000 1.388 602 E CA -0.113 56.157 56.400 -0.216 0.000 1.508 602 E CB 0.058 29.613 29.700 -0.242 0.000 1.250 602 E HN 0.252 nan 8.360 nan 0.000 0.500 603 S N -1.067 114.566 115.700 -0.112 0.000 2.496 603 S HA -0.152 4.318 4.470 -0.000 0.000 0.224 603 S C 1.957 176.517 174.600 -0.066 0.000 0.996 603 S CA 0.587 58.738 58.200 -0.082 0.000 0.927 603 S CB -0.034 63.124 63.200 -0.070 0.000 0.774 603 S HN 0.356 nan 8.310 nan 0.000 0.524 604 S N 2.481 118.143 115.700 -0.064 0.000 2.399 604 S HA -0.118 4.352 4.470 -0.000 0.000 0.231 604 S C 1.957 176.528 174.600 -0.048 0.000 1.022 604 S CA 1.217 59.388 58.200 -0.047 0.000 0.983 604 S CB -0.772 62.404 63.200 -0.039 0.000 0.803 604 S HN 0.774 nan 8.310 nan 0.000 0.480 605 S N 1.137 116.802 115.700 -0.058 0.000 2.559 605 S HA 0.301 4.771 4.470 -0.000 0.000 0.212 605 S C 0.731 175.288 174.600 -0.071 0.000 0.994 605 S CA 0.058 58.222 58.200 -0.059 0.000 0.903 605 S CB -1.002 62.167 63.200 -0.051 0.000 0.861 605 S HN 0.284 nan 8.310 nan 0.000 0.601 606 V N 2.628 122.501 119.914 -0.069 0.000 2.901 606 V HA 0.267 4.387 4.120 -0.000 0.000 0.307 606 V C 1.488 177.548 176.094 -0.056 0.000 1.084 606 V CA 0.776 63.041 62.300 -0.059 0.000 1.184 606 V CB 1.255 33.046 31.823 -0.054 0.000 0.941 606 V HN 0.683 nan 8.190 nan 0.000 0.493 607 S N 1.264 116.939 115.700 -0.042 0.000 2.741 607 S HA 0.214 4.684 4.470 -0.000 0.000 0.245 607 S C 0.466 175.059 174.600 -0.012 0.000 1.083 607 S CA 0.493 58.674 58.200 -0.031 0.000 0.873 607 S CB 0.360 63.540 63.200 -0.034 0.000 0.814 607 S HN 1.213 nan 8.310 nan 0.000 0.476 608 S N 0.240 115.950 115.700 0.017 0.000 2.537 608 S HA 0.697 5.167 4.470 -0.000 0.000 0.271 608 S C -1.531 173.114 174.600 0.075 0.000 1.148 608 S CA -0.651 57.563 58.200 0.023 0.000 0.868 608 S CB 1.686 64.973 63.200 0.144 0.000 1.115 608 S HN 0.225 nan 8.310 nan 0.000 0.461 609 V N 3.008 122.935 119.914 0.022 0.000 2.407 609 V HA 0.543 4.663 4.120 -0.000 0.000 0.291 609 V C -1.085 175.103 176.094 0.156 0.000 1.018 609 V CA -0.535 61.822 62.300 0.095 0.000 0.842 609 V CB 0.990 32.829 31.823 0.027 0.000 0.996 609 V HN 0.891 nan 8.190 nan 0.000 0.426 610 F N 4.584 124.638 119.950 0.173 0.000 2.361 610 F HA 0.608 5.135 4.527 0.000 0.000 0.364 610 F C 0.495 176.371 175.800 0.127 0.000 1.120 610 F CA -0.041 58.082 58.000 0.205 0.000 1.102 610 F CB 1.311 40.472 39.000 0.269 0.000 1.183 610 F HN 0.541 nan 8.300 nan 0.000 0.476 611 T N 5.245 119.604 114.554 -0.325 0.000 2.902 611 T HA 0.724 5.074 4.350 -0.000 0.000 0.283 611 T C -1.234 173.211 174.700 -0.424 0.000 1.009 611 T CA -0.458 61.492 62.100 -0.251 0.000 1.051 611 T CB 1.142 69.893 68.868 -0.194 0.000 0.999 611 T HN 0.388 nan 8.240 nan 0.000 0.474 612 V N 3.444 123.217 119.914 -0.235 0.000 2.709 612 V HA 0.665 4.785 4.120 -0.000 0.000 0.308 612 V C 0.124 176.175 176.094 -0.072 0.000 1.062 612 V CA -0.823 61.348 62.300 -0.215 0.000 0.901 612 V CB 2.192 33.867 31.823 -0.247 0.000 1.003 612 V HN 1.076 nan 8.190 nan 0.000 0.425 613 T N 2.215 116.751 114.554 -0.030 0.000 2.863 613 T HA 0.624 4.974 4.350 -0.000 0.000 0.285 613 T C 0.821 175.571 174.700 0.084 0.000 1.009 613 T CA 0.930 63.033 62.100 0.005 0.000 0.989 613 T CB 1.217 70.068 68.868 -0.029 0.000 1.004 613 T HN 1.637 nan 8.240 nan 0.000 0.455 614 G N 3.265 112.116 108.800 0.085 0.000 2.268 614 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.240 614 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.240 614 G C -0.042 174.980 174.900 0.203 0.000 1.010 614 G CA 0.294 45.468 45.100 0.124 0.000 0.618 614 G HN 0.819 nan 8.290 nan 0.000 0.516 615 F N 1.683 121.691 119.950 0.096 0.000 2.470 615 F HA 0.812 5.339 4.527 0.000 0.000 0.329 615 F C -0.217 175.636 175.800 0.087 0.000 1.072 615 F CA -1.074 57.016 58.000 0.151 0.000 0.989 615 F CB 1.965 41.156 39.000 0.317 0.000 1.193 615 F HN 0.180 nan 8.300 nan 0.000 0.481 616 N N 2.581 120.667 118.700 -1.024 0.000 2.710 616 N HA 0.267 5.007 4.740 -0.000 0.000 0.257 616 N C -0.228 174.842 175.510 -0.734 0.000 1.327 616 N CA -0.639 52.004 53.050 -0.678 0.000 0.861 616 N CB 0.906 39.235 38.487 -0.264 0.000 1.532 616 N HN 0.586 nan 8.380 nan 0.000 0.499 617 F N 0.160 119.933 119.950 -0.296 0.000 2.325 617 F HA 0.170 4.697 4.527 -0.000 0.000 0.299 617 F C 1.221 176.948 175.800 -0.122 0.000 1.090 617 F CA 0.526 58.436 58.000 -0.149 0.000 1.392 617 F CB 0.358 39.331 39.000 -0.046 0.000 1.053 617 F HN 0.406 nan 8.300 nan 0.000 0.521 618 A N 0.931 123.793 122.820 0.070 0.000 2.540 618 A HA 0.565 4.885 4.320 -0.000 0.000 0.340 618 A C 0.469 178.042 177.584 -0.020 0.000 1.424 618 A CA 0.155 52.212 52.037 0.034 0.000 0.940 618 A CB -0.628 18.406 19.000 0.057 0.000 1.149 618 A HN 0.464 nan 8.150 nan 0.000 0.505 619 G N 1.132 109.916 108.800 -0.026 0.000 2.888 619 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.441 619 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.441 619 G C -0.010 174.857 174.900 -0.056 0.000 1.461 619 G CA -0.002 45.085 45.100 -0.023 0.000 0.897 619 G HN 1.214 nan 8.290 nan 0.000 0.547 620 R N 0.757 121.259 120.500 0.002 0.000 2.564 620 R HA 0.533 4.873 4.340 -0.000 0.000 0.282 620 R C 0.679 177.010 176.300 0.052 0.000 1.573 620 R CA 0.220 56.344 56.100 0.040 0.000 1.588 620 R CB -0.102 30.274 30.300 0.126 0.000 1.154 620 R HN 1.143 nan 8.270 nan 0.000 0.606 621 G N 0.446 109.264 108.800 0.030 0.000 2.491 621 G HA2 0.121 4.081 3.960 -0.000 0.000 0.327 621 G HA3 0.121 4.081 3.960 -0.000 0.000 0.327 621 G C 0.215 175.141 174.900 0.043 0.000 1.189 621 G CA -0.469 44.651 45.100 0.035 0.000 0.956 621 G HN 0.552 nan 8.290 nan 0.000 0.491 622 Q N -0.404 119.421 119.800 0.042 0.000 2.369 622 Q HA -0.062 4.278 4.340 -0.000 0.000 0.206 622 Q C 2.021 178.034 176.000 0.022 0.000 0.963 622 Q CA 1.218 57.046 55.803 0.042 0.000 0.894 622 Q CB 0.161 28.926 28.738 0.044 0.000 0.965 622 Q HN 0.561 nan 8.270 nan 0.000 0.475 623 S N -0.403 115.305 115.700 0.014 0.000 2.622 623 S HA 0.146 4.615 4.470 -0.000 0.000 0.236 623 S C 0.348 174.936 174.600 -0.020 0.000 0.956 623 S CA -0.507 57.691 58.200 -0.003 0.000 0.971 623 S CB 0.199 63.402 63.200 0.005 0.000 0.782 623 S HN 0.163 nan 8.310 nan 0.000 0.468 624 S N -0.199 115.491 115.700 -0.018 0.000 2.513 624 S HA 0.882 5.352 4.470 -0.000 0.000 0.299 624 S C 0.007 174.578 174.600 -0.048 0.000 1.087 624 S CA -0.575 57.603 58.200 -0.037 0.000 1.012 624 S CB 1.520 64.699 63.200 -0.036 0.000 1.044 624 S HN 0.475 nan 8.310 nan 0.000 0.485 625 G N 1.390 110.140 108.800 -0.083 0.000 2.788 625 G HA2 0.786 4.746 3.960 -0.000 0.000 0.293 625 G HA3 0.786 4.746 3.960 -0.000 0.000 0.293 625 G C -1.281 173.547 174.900 -0.120 0.000 1.305 625 G CA -0.912 44.128 45.100 -0.100 0.000 1.005 625 G HN 0.621 nan 8.290 nan 0.000 0.496 626 M N -0.637 118.886 119.600 -0.129 0.000 2.534 626 M HA 0.628 5.108 4.480 -0.000 0.000 0.280 626 M C -1.476 174.729 176.300 -0.159 0.000 1.217 626 M CA -0.718 54.477 55.300 -0.175 0.000 0.893 626 M CB 2.051 34.571 32.600 -0.134 0.000 1.730 626 M HN 1.034 nan 8.290 nan 0.000 0.483 627 A N 2.260 124.954 122.820 -0.211 0.000 2.497 627 A HA 0.729 5.049 4.320 -0.000 0.000 0.280 627 A C -1.849 175.654 177.584 -0.135 0.000 1.065 627 A CA -0.466 51.516 52.037 -0.093 0.000 0.781 627 A CB 0.508 19.477 19.000 -0.051 0.000 1.289 627 A HN 0.581 nan 8.150 nan 0.000 0.415 628 F N 3.228 123.254 119.950 0.127 0.000 2.351 628 F HA 0.360 4.887 4.527 0.000 0.000 0.362 628 F C 0.383 176.267 175.800 0.140 0.000 1.131 628 F CA -0.218 57.841 58.000 0.098 0.000 1.187 628 F CB 0.706 39.767 39.000 0.102 0.000 1.434 628 F HN 0.443 nan 8.300 nan 0.000 0.553 629 I N 4.001 124.660 120.570 0.148 0.000 2.241 629 I HA 0.154 4.324 4.170 -0.000 0.000 0.294 629 I C 0.181 176.348 176.117 0.084 0.000 1.145 629 I CA -0.283 61.083 61.300 0.110 0.000 1.261 629 I CB -0.133 37.894 38.000 0.044 0.000 1.475 629 I HN 0.361 nan 8.210 nan 0.000 0.533 630 M N 5.486 125.163 119.600 0.128 0.000 2.252 630 M HA 0.275 4.755 4.480 -0.000 0.000 0.333 630 M C -0.103 176.178 176.300 -0.033 0.000 1.111 630 M CA 0.535 55.852 55.300 0.028 0.000 1.140 630 M CB 0.666 33.291 32.600 0.042 0.000 1.538 630 M HN 0.470 nan 8.290 nan 0.000 0.448 631 L N 1.657 122.813 121.223 -0.112 0.000 2.303 631 L HA 0.495 4.835 4.340 -0.000 0.000 0.266 631 L C 0.324 177.074 176.870 -0.200 0.000 1.011 631 L CA -1.145 53.609 54.840 -0.143 0.000 0.818 631 L CB 1.453 43.412 42.059 -0.166 0.000 1.326 631 L HN 0.597 nan 8.230 nan 0.000 0.435 632 K N 0.974 121.270 120.400 -0.174 0.000 2.319 632 K HA 0.235 4.555 4.320 -0.000 0.000 0.265 632 K C -2.283 174.129 176.600 -0.314 0.000 1.000 632 K CA -1.495 54.680 56.287 -0.187 0.000 0.943 632 K CB 0.084 32.513 32.500 -0.118 0.000 0.950 632 K HN 0.238 nan 8.250 nan 0.000 0.485 633 P HA -0.147 nan 4.420 nan 0.000 0.270 633 P C -0.139 176.927 177.300 -0.391 0.000 1.216 633 P CA 0.262 63.056 63.100 -0.509 0.000 0.788 633 P CB 0.223 31.781 31.700 -0.236 0.000 0.883 634 W N 0.186 121.487 121.300 0.002 0.000 2.392 634 W HA -0.052 4.608 4.660 -0.000 0.000 0.279 634 W C 1.779 178.305 176.519 0.012 0.000 1.225 634 W CA 0.792 58.144 57.345 0.011 0.000 1.233 634 W CB -1.246 28.227 29.460 0.020 0.000 1.122 634 W HN 0.440 nan 8.180 nan 0.000 0.561 635 E N 0.928 121.244 120.200 0.194 0.000 2.051 635 E HA -0.125 4.225 4.350 -0.000 0.000 0.189 635 E C 1.583 178.217 176.600 0.056 0.000 0.979 635 E CA 1.071 57.543 56.400 0.120 0.000 0.803 635 E CB -0.393 29.366 29.700 0.099 0.000 0.761 635 E HN 0.413 nan 8.360 nan 0.000 0.451 636 E N 0.776 120.983 120.200 0.012 0.000 2.515 636 E HA -0.047 4.303 4.350 -0.000 0.000 0.201 636 E C 0.180 176.775 176.600 -0.009 0.000 1.071 636 E CA 0.316 56.709 56.400 -0.011 0.000 0.880 636 E CB 0.057 29.732 29.700 -0.041 0.000 0.828 636 E HN 0.045 nan 8.360 nan 0.000 0.540 637 R N 0.724 121.231 120.500 0.013 0.000 2.494 637 R HA 0.154 4.494 4.340 -0.000 0.000 0.305 637 R C -1.701 174.630 176.300 0.052 0.000 0.959 637 R CA -1.849 54.265 56.100 0.023 0.000 0.864 637 R CB 1.243 31.557 30.300 0.024 0.000 1.159 637 R HN -0.084 nan 8.270 nan 0.000 0.446 638 P HA -0.126 nan 4.420 nan 0.000 0.210 638 P C 0.256 177.595 177.300 0.066 0.000 1.185 638 P CA 1.153 64.281 63.100 0.047 0.000 0.924 638 P CB 0.254 31.974 31.700 0.034 0.000 0.786 639 G N -3.848 104.994 108.800 0.069 0.000 2.316 639 G HA2 0.371 4.331 3.960 -0.000 0.000 0.468 639 G HA3 0.371 4.331 3.960 -0.000 0.000 0.468 639 G C 0.363 175.310 174.900 0.078 0.000 1.523 639 G CA -0.000 45.152 45.100 0.087 0.000 0.972 639 G HN 0.482 nan 8.290 nan 0.000 0.667 640 G N 0.268 109.124 108.800 0.093 0.000 3.078 640 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.227 640 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.227 640 G C 1.199 176.147 174.900 0.081 0.000 1.306 640 G CA 1.676 46.828 45.100 0.087 0.000 0.841 640 G HN 1.278 nan 8.290 nan 0.000 0.530 641 E N 0.479 120.717 120.200 0.063 0.000 2.122 641 E HA 0.073 4.423 4.350 -0.000 0.000 0.190 641 E C 1.175 177.804 176.600 0.047 0.000 0.977 641 E CA 0.927 57.357 56.400 0.049 0.000 0.820 641 E CB -0.032 29.686 29.700 0.032 0.000 0.770 641 E HN 0.485 nan 8.360 nan 0.000 0.462 642 N N 0.892 119.623 118.700 0.052 0.000 2.320 642 N HA 0.021 4.761 4.740 -0.000 0.000 0.237 642 N C -0.785 174.762 175.510 0.061 0.000 1.129 642 N CA -0.039 53.034 53.050 0.039 0.000 0.854 642 N CB 0.757 39.258 38.487 0.025 0.000 1.083 642 N HN 0.023 nan 8.380 nan 0.000 0.504 643 S N -1.416 114.340 115.700 0.094 0.000 2.584 643 S HA 0.201 4.671 4.470 -0.000 0.000 0.273 643 S C 1.485 176.118 174.600 0.055 0.000 1.311 643 S CA -0.796 57.479 58.200 0.124 0.000 1.034 643 S CB 1.369 64.700 63.200 0.219 0.000 0.939 643 S HN -0.057 nan 8.310 nan 0.000 0.513 644 V N 1.711 121.590 119.914 -0.058 0.000 2.568 644 V HA -0.141 3.979 4.120 -0.000 0.000 0.253 644 V C 1.586 177.564 176.094 -0.192 0.000 1.072 644 V CA 1.689 63.877 62.300 -0.185 0.000 1.084 644 V CB -1.399 30.224 31.823 -0.333 0.000 0.676 644 V HN 0.903 nan 8.190 nan 0.000 0.469 645 F N -0.126 119.896 119.950 0.120 0.000 2.802 645 F HA 0.071 4.598 4.527 -0.000 0.000 0.300 645 F C 2.262 178.121 175.800 0.098 0.000 1.168 645 F CA 0.679 58.749 58.000 0.117 0.000 1.433 645 F CB -0.084 38.982 39.000 0.110 0.000 1.115 645 F HN 0.188 nan 8.300 nan 0.000 0.582 646 E N -0.192 120.127 120.200 0.198 0.000 2.340 646 E HA 0.053 4.403 4.350 -0.000 0.000 0.198 646 E C 2.221 178.874 176.600 0.088 0.000 0.961 646 E CA 0.067 56.549 56.400 0.137 0.000 0.905 646 E CB 0.072 29.839 29.700 0.113 0.000 0.884 646 E HN 0.392 nan 8.360 nan 0.000 0.491 647 L N 1.103 122.362 121.223 0.059 0.000 2.079 647 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 647 L C 2.579 179.487 176.870 0.065 0.000 1.081 647 L CA 1.247 56.109 54.840 0.036 0.000 0.752 647 L CB -0.424 41.643 42.059 0.014 0.000 0.896 647 L HN 0.134 nan 8.230 nan 0.000 0.433 648 A N 0.188 123.068 122.820 0.100 0.000 1.877 648 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 648 A C 2.266 179.924 177.584 0.123 0.000 1.186 648 A CA 1.867 53.987 52.037 0.139 0.000 0.620 648 A CB -0.390 18.736 19.000 0.209 0.000 0.822 648 A HN 0.337 nan 8.150 nan 0.000 0.443 649 K N -0.476 120.002 120.400 0.129 0.000 2.044 649 K HA -0.209 4.111 4.320 -0.000 0.000 0.210 649 K C 2.319 178.965 176.600 0.076 0.000 1.049 649 K CA 1.877 58.229 56.287 0.109 0.000 0.927 649 K CB -0.235 32.328 32.500 0.106 0.000 0.713 649 K HN 0.471 nan 8.250 nan 0.000 0.443 650 R N 0.492 121.033 120.500 0.068 0.000 2.060 650 R HA -0.017 4.323 4.340 -0.000 0.000 0.225 650 R C 2.558 178.867 176.300 0.014 0.000 1.155 650 R CA 1.099 57.247 56.100 0.080 0.000 0.930 650 R CB -0.682 29.675 30.300 0.095 0.000 0.829 650 R HN 0.167 nan 8.270 nan 0.000 0.433 651 A N 1.581 124.379 122.820 -0.037 0.000 1.896 651 A HA -0.278 4.042 4.320 -0.000 0.000 0.220 651 A C 2.200 179.287 177.584 -0.829 0.000 1.206 651 A CA 1.668 53.397 52.037 -0.514 0.000 0.647 651 A CB -0.588 18.221 19.000 -0.318 0.000 0.828 651 A HN 0.296 nan 8.150 nan 0.000 0.455 652 Q N -1.608 118.048 119.800 -0.240 0.000 1.993 652 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 652 Q C 2.156 178.164 176.000 0.014 0.000 0.984 652 Q CA 1.973 57.769 55.803 -0.011 0.000 0.837 652 Q CB -0.569 28.265 28.738 0.161 0.000 0.902 652 Q HN 0.714 nan 8.270 nan 0.000 0.423 653 M N 0.129 119.742 119.600 0.023 0.000 2.159 653 M HA -0.171 4.309 4.480 -0.000 0.000 0.263 653 M C 1.979 178.297 176.300 0.031 0.000 1.063 653 M CA 1.629 56.957 55.300 0.046 0.000 1.110 653 M CB -0.494 32.126 32.600 0.034 0.000 1.374 653 M HN 0.279 nan 8.290 nan 0.000 0.411 654 H N -0.855 118.111 119.070 -0.173 0.000 2.462 654 H HA -0.083 4.473 4.556 -0.000 0.000 0.292 654 H C 0.625 175.867 175.328 -0.145 0.000 1.049 654 H CA 1.113 57.007 56.048 -0.257 0.000 1.334 654 H CB -0.072 29.346 29.762 -0.574 0.000 1.404 654 H HN 0.364 nan 8.280 nan 0.000 0.544 655 F N 0.346 120.267 119.950 -0.049 0.000 2.795 655 F HA -0.013 4.514 4.527 -0.000 0.000 0.303 655 F C 1.740 177.521 175.800 -0.032 0.000 1.186 655 F CA -0.339 57.670 58.000 0.015 0.000 1.415 655 F CB -1.399 37.638 39.000 0.060 0.000 1.106 655 F HN 0.128 nan 8.300 nan 0.000 0.558 656 F N 0.742 120.658 119.950 -0.056 0.000 2.365 656 F HA -0.103 4.424 4.527 -0.000 0.000 0.300 656 F C 1.821 177.519 175.800 -0.169 0.000 1.090 656 F CA 0.108 58.054 58.000 -0.090 0.000 1.408 656 F CB -0.383 38.556 39.000 -0.102 0.000 1.060 656 F HN -0.031 nan 8.300 nan 0.000 0.534 657 S N -0.081 115.401 115.700 -0.364 0.000 2.618 657 S HA 0.146 4.616 4.470 -0.000 0.000 0.254 657 S C -0.167 174.071 174.600 -0.602 0.000 1.284 657 S CA -0.214 57.587 58.200 -0.666 0.000 0.975 657 S CB -0.413 62.154 63.200 -1.054 0.000 1.022 657 S HN 0.321 nan 8.310 nan 0.000 0.571 658 F N -0.676 119.166 119.950 -0.180 0.000 2.267 658 F HA -0.149 4.378 4.527 0.000 0.000 0.352 658 F C 1.375 177.055 175.800 -0.199 0.000 1.111 658 F CA 0.350 58.249 58.000 -0.168 0.000 1.207 658 F CB -2.104 36.790 39.000 -0.176 0.000 1.743 658 F HN 0.873 nan 8.300 nan 0.000 0.776 659 K N 0.824 121.183 120.400 -0.068 0.000 2.031 659 K HA -0.341 3.979 4.320 -0.000 0.000 0.228 659 K C 0.575 177.115 176.600 -0.099 0.000 1.050 659 K CA 2.544 58.763 56.287 -0.114 0.000 0.980 659 K CB -0.052 32.408 32.500 -0.066 0.000 0.738 659 K HN 0.600 nan 8.250 nan 0.000 0.451 660 D N -0.650 119.724 120.400 -0.044 0.000 2.381 660 D HA 0.503 5.143 4.640 -0.000 0.000 0.235 660 D C -1.899 174.378 176.300 -0.039 0.000 1.068 660 D CA -0.146 53.829 54.000 -0.041 0.000 0.832 660 D CB 1.532 42.317 40.800 -0.024 0.000 1.101 660 D HN 0.440 nan 8.370 nan 0.000 0.515 661 A N 4.483 127.266 122.820 -0.061 0.000 2.458 661 A HA 0.205 4.525 4.320 -0.000 0.000 0.304 661 A C -0.377 177.121 177.584 -0.144 0.000 1.026 661 A CA -0.647 51.325 52.037 -0.110 0.000 1.021 661 A CB 0.531 19.434 19.000 -0.162 0.000 1.479 661 A HN 0.382 nan 8.150 nan 0.000 0.385 662 M N 3.022 122.563 119.600 -0.098 0.000 3.722 662 M HA 0.083 4.563 4.480 -0.000 0.000 0.183 662 M C 0.587 176.772 176.300 -0.191 0.000 1.485 662 M CA 0.243 55.495 55.300 -0.079 0.000 1.685 662 M CB -1.398 31.296 32.600 0.156 0.000 1.198 662 M HN 0.694 nan 8.290 nan 0.000 0.494 663 V N -0.562 119.127 119.914 -0.375 0.000 2.439 663 V HA 0.411 4.531 4.120 -0.000 0.000 0.271 663 V C -0.301 175.551 176.094 -0.404 0.000 1.040 663 V CA -0.354 61.706 62.300 -0.399 0.000 1.002 663 V CB -0.648 30.785 31.823 -0.649 0.000 1.000 663 V HN 0.299 nan 8.190 nan 0.000 0.477 664 F N 2.365 122.330 119.950 0.024 0.000 2.611 664 F HA 0.871 5.398 4.527 -0.000 0.000 0.324 664 F C 0.327 176.128 175.800 0.002 0.000 1.061 664 F CA -0.658 57.408 58.000 0.111 0.000 0.954 664 F CB 2.333 41.400 39.000 0.111 0.000 1.301 664 F HN 0.744 nan 8.300 nan 0.000 0.482 665 A N 2.504 125.488 122.820 0.273 0.000 2.357 665 A HA 0.780 5.100 4.320 -0.000 0.000 0.295 665 A C -1.447 176.223 177.584 0.143 0.000 1.121 665 A CA -0.475 51.613 52.037 0.086 0.000 0.742 665 A CB 0.224 19.354 19.000 0.217 0.000 1.181 665 A HN 0.695 nan 8.150 nan 0.000 0.454 666 F N 0.518 120.651 119.950 0.305 0.000 2.603 666 F HA 0.914 5.441 4.527 -0.000 0.000 0.317 666 F C 0.136 176.115 175.800 0.298 0.000 1.066 666 F CA -1.270 56.890 58.000 0.266 0.000 0.941 666 F CB 1.853 40.979 39.000 0.209 0.000 1.291 666 F HN 0.633 nan 8.300 nan 0.000 0.472 667 A N 1.767 124.907 122.820 0.534 0.000 2.325 667 A HA 0.872 5.192 4.320 -0.000 0.000 0.333 667 A C -2.901 174.922 177.584 0.398 0.000 1.155 667 A CA -2.143 50.130 52.037 0.393 0.000 0.814 667 A CB 0.855 19.909 19.000 0.090 0.000 1.206 667 A HN 0.539 nan 8.150 nan 0.000 0.482 668 P HA 0.373 nan 4.420 nan 0.000 0.274 668 P C -2.604 174.850 177.300 0.256 0.000 1.231 668 P CA -1.132 62.174 63.100 0.343 0.000 0.790 668 P CB -0.027 31.951 31.700 0.463 0.000 0.951 669 P HA 0.034 nan 4.420 nan 0.000 0.274 669 P C 1.154 178.550 177.300 0.160 0.000 1.231 669 P CA 0.005 63.208 63.100 0.172 0.000 0.790 669 P CB 0.360 32.131 31.700 0.118 0.000 0.951 670 S N 1.630 117.423 115.700 0.154 0.000 2.412 670 S HA -0.156 4.314 4.470 -0.000 0.000 0.246 670 S C 0.751 175.334 174.600 -0.028 0.000 1.073 670 S CA 1.632 59.900 58.200 0.113 0.000 1.186 670 S CB -0.664 62.592 63.200 0.094 0.000 1.084 670 S HN 0.287 nan 8.310 nan 0.000 0.434 671 V N 3.628 123.441 119.914 -0.167 0.000 2.372 671 V HA 0.202 4.322 4.120 -0.000 0.000 0.261 671 V C 1.223 177.305 176.094 -0.020 0.000 1.055 671 V CA -0.078 62.067 62.300 -0.259 0.000 0.930 671 V CB 0.839 32.480 31.823 -0.303 0.000 1.031 671 V HN 0.483 nan 8.190 nan 0.000 0.479 672 L N 3.965 125.225 121.223 0.062 0.000 2.012 672 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 672 L C 2.460 179.376 176.870 0.078 0.000 1.073 672 L CA 1.965 56.880 54.840 0.125 0.000 0.748 672 L CB -0.294 41.884 42.059 0.198 0.000 0.891 672 L HN 0.823 nan 8.230 nan 0.000 0.431 673 E N -0.108 120.128 120.200 0.061 0.000 2.515 673 E HA -0.164 4.186 4.350 -0.000 0.000 0.201 673 E C 1.842 178.445 176.600 0.006 0.000 1.071 673 E CA 0.388 56.807 56.400 0.032 0.000 0.880 673 E CB -0.071 29.652 29.700 0.039 0.000 0.828 673 E HN 0.431 nan 8.360 nan 0.000 0.540 674 L N 0.646 121.874 121.223 0.010 0.000 2.554 674 L HA 0.230 4.570 4.340 -0.000 0.000 0.226 674 L C 0.905 177.758 176.870 -0.028 0.000 1.137 674 L CA 1.181 56.024 54.840 0.006 0.000 0.863 674 L CB -0.480 41.602 42.059 0.039 0.000 0.985 674 L HN 0.408 nan 8.230 nan 0.000 0.451 675 G N -0.749 108.018 108.800 -0.054 0.000 2.368 675 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.302 675 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.302 675 G C -0.141 174.658 174.900 -0.168 0.000 1.329 675 G CA -0.518 44.504 45.100 -0.131 0.000 0.935 675 G HN -0.066 nan 8.290 nan 0.000 0.590 676 N N -0.159 118.341 118.700 -0.333 0.000 2.250 676 N HA 0.410 5.150 4.740 -0.000 0.000 0.190 676 N C 0.509 175.805 175.510 -0.356 0.000 1.116 676 N CA 0.947 53.731 53.050 -0.443 0.000 0.881 676 N CB 1.360 39.230 38.487 -1.028 0.000 1.006 676 N HN 1.070 nan 8.380 nan 0.000 0.491 677 A N 0.376 122.947 122.820 -0.415 0.000 2.375 677 A HA 0.431 4.751 4.320 -0.000 0.000 0.295 677 A C 0.109 177.562 177.584 -0.219 0.000 1.066 677 A CA -0.489 51.263 52.037 -0.475 0.000 0.722 677 A CB 1.133 19.444 19.000 -1.149 0.000 1.206 677 A HN -0.019 nan 8.150 nan 0.000 0.435 678 T N 1.383 115.918 114.554 -0.031 0.000 2.791 678 T HA 0.527 4.877 4.350 -0.000 0.000 0.323 678 T C 1.025 175.715 174.700 -0.017 0.000 1.082 678 T CA 1.888 64.015 62.100 0.045 0.000 1.084 678 T CB 0.264 69.241 68.868 0.181 0.000 0.992 678 T HN 2.614 nan 8.240 nan 0.000 0.547 679 G N 1.764 110.580 108.800 0.026 0.000 2.358 679 G HA2 0.160 4.120 3.960 -0.000 0.000 0.198 679 G HA3 0.160 4.120 3.960 -0.000 0.000 0.198 679 G C -0.779 174.163 174.900 0.070 0.000 1.220 679 G CA -0.186 44.928 45.100 0.023 0.000 1.187 679 G HN 1.365 nan 8.290 nan 0.000 0.544 680 F N -0.252 119.711 119.950 0.022 0.000 2.631 680 F HA 0.893 5.420 4.527 -0.000 0.000 0.328 680 F C -0.941 174.881 175.800 0.037 0.000 1.067 680 F CA -1.322 56.720 58.000 0.069 0.000 0.969 680 F CB 1.857 40.994 39.000 0.228 0.000 1.332 680 F HN 0.424 nan 8.300 nan 0.000 0.490 681 D N 1.257 121.836 120.400 0.297 0.000 2.649 681 D HA 0.661 5.301 4.640 -0.000 0.000 0.249 681 D C -1.300 174.936 176.300 -0.105 0.000 1.112 681 D CA -0.049 53.926 54.000 -0.042 0.000 0.850 681 D CB 2.291 42.945 40.800 -0.242 0.000 1.399 681 D HN 0.612 nan 8.370 nan 0.000 0.503 682 L N 2.389 123.408 121.223 -0.341 0.000 2.354 682 L HA 0.620 4.960 4.340 -0.000 0.000 0.264 682 L C -1.098 175.450 176.870 -0.537 0.000 1.008 682 L CA -0.781 53.764 54.840 -0.492 0.000 0.819 682 L CB 1.853 43.738 42.059 -0.291 0.000 1.339 682 L HN 0.377 nan 8.230 nan 0.000 0.420 683 F N 3.265 123.013 119.950 -0.337 0.000 2.716 683 F HA 0.381 4.908 4.527 -0.000 0.000 0.354 683 F C -0.512 175.226 175.800 -0.104 0.000 1.168 683 F CA -0.883 56.948 58.000 -0.282 0.000 1.045 683 F CB 1.308 39.975 39.000 -0.554 0.000 1.311 683 F HN 0.099 nan 8.300 nan 0.000 0.477 684 L N 4.685 125.994 121.223 0.143 0.000 2.369 684 L HA 0.278 4.618 4.340 -0.000 0.000 0.279 684 L C -0.348 176.605 176.870 0.139 0.000 1.108 684 L CA -0.058 54.859 54.840 0.128 0.000 0.852 684 L CB 0.187 42.295 42.059 0.082 0.000 1.169 684 L HN 0.581 nan 8.230 nan 0.000 0.452 685 Q N 1.843 121.722 119.800 0.131 0.000 2.342 685 Q HA 0.356 4.696 4.340 -0.000 0.000 0.267 685 Q C -1.141 174.905 176.000 0.076 0.000 1.038 685 Q CA -1.162 54.706 55.803 0.109 0.000 0.832 685 Q CB 2.373 31.178 28.738 0.112 0.000 1.323 685 Q HN 0.403 nan 8.270 nan 0.000 0.448 686 D N 1.456 121.890 120.400 0.056 0.000 2.455 686 D HA -0.019 4.621 4.640 -0.000 0.000 0.241 686 D C 0.224 176.547 176.300 0.039 0.000 1.138 686 D CA 0.901 54.927 54.000 0.042 0.000 0.877 686 D CB 0.912 41.730 40.800 0.030 0.000 1.187 686 D HN 0.546 nan 8.370 nan 0.000 0.451 687 Q N 1.044 120.865 119.800 0.036 0.000 2.497 687 Q HA 0.187 4.527 4.340 -0.000 0.000 0.201 687 Q C 1.249 177.265 176.000 0.026 0.000 0.724 687 Q CA -0.074 55.749 55.803 0.034 0.000 0.923 687 Q CB 0.083 28.847 28.738 0.043 0.000 1.302 687 Q HN 0.412 nan 8.270 nan 0.000 0.484 688 A N 0.878 123.714 122.820 0.026 0.000 2.239 688 A HA 0.328 4.648 4.320 -0.000 0.000 0.209 688 A C 1.127 178.722 177.584 0.018 0.000 1.171 688 A CA 1.033 53.082 52.037 0.020 0.000 0.768 688 A CB -0.650 18.362 19.000 0.019 0.000 0.790 688 A HN 0.481 nan 8.150 nan 0.000 0.478 689 G N -0.567 108.244 108.800 0.019 0.000 2.417 689 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.291 689 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.291 689 G C 0.342 175.253 174.900 0.018 0.000 1.094 689 G CA 0.129 45.239 45.100 0.017 0.000 1.146 689 G HN 0.693 nan 8.290 nan 0.000 0.519 690 V N 0.508 120.435 119.914 0.021 0.000 2.326 690 V HA 0.843 4.963 4.120 -0.000 0.000 0.164 690 V C 1.759 177.867 176.094 0.024 0.000 0.987 690 V CA 1.037 63.349 62.300 0.020 0.000 1.308 690 V CB -0.482 31.352 31.823 0.019 0.000 0.794 690 V HN 1.694 nan 8.190 nan 0.000 0.448 691 G N -2.863 105.953 108.800 0.028 0.000 2.720 691 G HA2 0.428 4.388 3.960 -0.000 0.000 0.295 691 G HA3 0.428 4.388 3.960 -0.000 0.000 0.295 691 G C -0.377 174.557 174.900 0.056 0.000 1.437 691 G CA 0.041 45.167 45.100 0.043 0.000 0.886 691 G HN 0.567 nan 8.290 nan 0.000 0.509 692 H N -0.210 118.857 119.070 -0.005 0.000 2.541 692 H HA -0.021 4.535 4.556 0.000 0.000 0.289 692 H C 1.768 177.094 175.328 -0.005 0.000 1.054 692 H CA 2.226 58.269 56.048 -0.008 0.000 1.250 692 H CB 0.514 30.268 29.762 -0.012 0.000 1.369 692 H HN 0.426 nan 8.280 nan 0.000 0.578 693 E N -0.429 119.677 120.200 -0.156 0.000 2.216 693 E HA -0.008 4.342 4.350 -0.000 0.000 0.192 693 E C 2.197 178.720 176.600 -0.128 0.000 0.973 693 E CA 0.609 56.891 56.400 -0.197 0.000 0.851 693 E CB 0.276 29.925 29.700 -0.084 0.000 0.804 693 E HN 0.412 nan 8.360 nan 0.000 0.477 694 V N 1.835 121.708 119.914 -0.069 0.000 2.283 694 V HA -0.238 3.882 4.120 -0.000 0.000 0.243 694 V C 2.516 178.590 176.094 -0.032 0.000 1.039 694 V CA 1.701 63.979 62.300 -0.037 0.000 1.016 694 V CB -0.687 31.129 31.823 -0.011 0.000 0.650 694 V HN 0.274 nan 8.190 nan 0.000 0.449 695 L N -0.895 120.313 121.223 -0.025 0.000 2.362 695 L HA -0.009 4.331 4.340 -0.000 0.000 0.219 695 L C 2.111 178.964 176.870 -0.028 0.000 1.134 695 L CA 1.441 56.279 54.840 -0.003 0.000 0.807 695 L CB -1.318 40.755 42.059 0.024 0.000 0.927 695 L HN 0.182 nan 8.230 nan 0.000 0.447 696 L N -0.770 120.391 121.223 -0.103 0.000 2.131 696 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 696 L C 2.654 179.484 176.870 -0.066 0.000 1.092 696 L CA 1.080 55.838 54.840 -0.137 0.000 0.759 696 L CB -0.192 41.689 42.059 -0.297 0.000 0.903 696 L HN 0.442 nan 8.230 nan 0.000 0.435 697 Q N -0.681 119.089 119.800 -0.049 0.000 2.123 697 Q HA -0.115 4.225 4.340 -0.000 0.000 0.199 697 Q C 2.330 178.343 176.000 0.022 0.000 0.966 697 Q CA 1.353 57.147 55.803 -0.015 0.000 0.845 697 Q CB -0.286 28.442 28.738 -0.016 0.000 0.907 697 Q HN 0.603 nan 8.270 nan 0.000 0.439 698 A N 1.705 124.544 122.820 0.032 0.000 1.892 698 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 698 A C 2.171 179.836 177.584 0.134 0.000 1.188 698 A CA 1.703 53.790 52.037 0.083 0.000 0.631 698 A CB -0.542 18.507 19.000 0.082 0.000 0.822 698 A HN 0.306 nan 8.150 nan 0.000 0.447 699 R N -0.409 120.138 120.500 0.079 0.000 2.096 699 R HA -0.172 4.168 4.340 -0.000 0.000 0.240 699 R C 2.007 178.382 176.300 0.125 0.000 1.139 699 R CA 1.639 57.784 56.100 0.074 0.000 0.952 699 R CB -0.516 29.801 30.300 0.029 0.000 0.854 699 R HN 0.554 nan 8.270 nan 0.000 0.436 700 N N 0.824 119.576 118.700 0.086 0.000 2.080 700 N HA -0.127 4.613 4.740 -0.000 0.000 0.189 700 N C 1.550 177.121 175.510 0.101 0.000 1.036 700 N CA 1.277 54.377 53.050 0.083 0.000 0.846 700 N CB -0.176 38.336 38.487 0.043 0.000 1.015 700 N HN 0.247 nan 8.380 nan 0.000 0.423 701 K N -0.086 120.366 120.400 0.086 0.000 2.209 701 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 701 K C 1.936 178.581 176.600 0.075 0.000 1.048 701 K CA 0.581 56.903 56.287 0.058 0.000 0.940 701 K CB -0.235 32.281 32.500 0.028 0.000 0.729 701 K HN 0.136 nan 8.250 nan 0.000 0.451 702 F N 1.271 121.223 119.950 0.003 0.000 2.060 702 F HA -0.216 4.311 4.527 0.000 0.000 0.295 702 F C 1.910 177.728 175.800 0.030 0.000 1.120 702 F CA 1.051 59.055 58.000 0.006 0.000 1.205 702 F CB -0.069 38.937 39.000 0.010 0.000 0.986 702 F HN -0.149 nan 8.300 nan 0.000 0.470 703 L N -0.171 121.275 121.223 0.372 0.000 2.191 703 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 703 L C 2.359 179.326 176.870 0.162 0.000 1.103 703 L CA 1.229 56.226 54.840 0.262 0.000 0.769 703 L CB -0.872 41.304 42.059 0.194 0.000 0.908 703 L HN 0.246 nan 8.230 nan 0.000 0.438 704 M N -0.787 118.882 119.600 0.115 0.000 2.255 704 M HA -0.278 4.202 4.480 -0.000 0.000 0.260 704 M C 2.315 178.641 176.300 0.042 0.000 1.069 704 M CA 2.156 57.495 55.300 0.066 0.000 1.089 704 M CB -0.908 31.714 32.600 0.038 0.000 1.269 704 M HN 0.215 nan 8.290 nan 0.000 0.434 705 L N -0.741 120.478 121.223 -0.006 0.000 2.141 705 L HA -0.131 4.208 4.340 -0.000 0.000 0.209 705 L C 2.584 179.444 176.870 -0.018 0.000 1.094 705 L CA 0.925 55.735 54.840 -0.049 0.000 0.763 705 L CB -0.927 41.044 42.059 -0.146 0.000 0.908 705 L HN 0.321 nan 8.230 nan 0.000 0.437 706 A N 0.144 122.987 122.820 0.039 0.000 1.969 706 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 706 A C 2.494 180.162 177.584 0.140 0.000 1.169 706 A CA 1.543 53.658 52.037 0.130 0.000 0.635 706 A CB -0.474 18.721 19.000 0.324 0.000 0.810 706 A HN 0.381 nan 8.150 nan 0.000 0.445 707 A N -0.921 121.977 122.820 0.129 0.000 2.021 707 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 707 A C 2.071 179.710 177.584 0.092 0.000 1.163 707 A CA 1.254 53.368 52.037 0.128 0.000 0.676 707 A CB -0.284 18.796 19.000 0.133 0.000 0.818 707 A HN 0.626 nan 8.150 nan 0.000 0.453 708 Q N -0.199 119.639 119.800 0.063 0.000 2.062 708 Q HA -0.029 4.311 4.340 -0.000 0.000 0.196 708 Q C 0.560 176.579 176.000 0.032 0.000 0.967 708 Q CA 0.199 56.026 55.803 0.040 0.000 0.832 708 Q CB -0.169 28.581 28.738 0.020 0.000 0.899 708 Q HN 0.569 nan 8.270 nan 0.000 0.442 709 N N 1.966 120.679 118.700 0.022 0.000 2.365 709 N HA -0.056 4.684 4.740 -0.000 0.000 0.265 709 N C -2.120 173.410 175.510 0.035 0.000 1.288 709 N CA -0.566 52.492 53.050 0.013 0.000 0.869 709 N CB 0.924 39.406 38.487 -0.008 0.000 1.071 709 N HN -0.032 nan 8.380 nan 0.000 0.480 710 P HA 0.106 nan 4.420 nan 0.000 0.249 710 P C 0.114 177.438 177.300 0.040 0.000 1.241 710 P CA 0.271 63.391 63.100 0.034 0.000 0.781 710 P CB 0.289 32.001 31.700 0.021 0.000 1.088 711 A N -0.630 122.214 122.820 0.041 0.000 2.014 711 A HA 0.248 4.568 4.320 -0.000 0.000 0.210 711 A C 0.937 178.570 177.584 0.081 0.000 1.188 711 A CA 0.383 52.447 52.037 0.044 0.000 0.731 711 A CB -0.437 18.574 19.000 0.019 0.000 0.858 711 A HN 0.223 nan 8.150 nan 0.000 0.464 712 L N -1.771 119.519 121.223 0.112 0.000 2.313 712 L HA 0.785 5.125 4.340 -0.000 0.000 0.268 712 L C -0.552 176.430 176.870 0.187 0.000 1.010 712 L CA -1.135 53.815 54.840 0.184 0.000 0.814 712 L CB 1.475 43.686 42.059 0.253 0.000 1.304 712 L HN 0.459 nan 8.230 nan 0.000 0.441 713 Q N -0.511 119.417 119.800 0.213 0.000 2.648 713 Q HA 0.557 4.897 4.340 -0.000 0.000 0.300 713 Q C -0.486 175.627 176.000 0.189 0.000 0.954 713 Q CA -1.048 54.875 55.803 0.200 0.000 0.757 713 Q CB 1.632 30.480 28.738 0.185 0.000 1.482 713 Q HN 0.514 nan 8.270 nan 0.000 0.437 714 R N -1.077 119.555 120.500 0.221 0.000 3.932 714 R HA -0.124 4.216 4.340 -0.000 0.000 0.318 714 R C -0.668 175.539 176.300 -0.154 0.000 1.219 714 R CA 0.966 57.143 56.100 0.128 0.000 0.889 714 R CB -2.308 28.084 30.300 0.154 0.000 1.309 714 R HN 0.463 nan 8.270 nan 0.000 0.537 715 V N 2.390 122.308 119.914 0.006 0.000 2.415 715 V HA -0.055 4.065 4.120 -0.000 0.000 0.252 715 V C 1.353 177.363 176.094 -0.141 0.000 1.043 715 V CA 0.701 62.992 62.300 -0.015 0.000 1.149 715 V CB -0.317 31.621 31.823 0.192 0.000 1.143 715 V HN 0.183 nan 8.190 nan 0.000 0.478 716 R N 5.856 126.155 120.500 -0.336 0.000 2.541 716 R HA 0.578 4.918 4.340 -0.000 0.000 0.263 716 R C -2.469 173.756 176.300 -0.125 0.000 1.112 716 R CA -1.496 54.417 56.100 -0.313 0.000 1.170 716 R CB 0.425 30.487 30.300 -0.397 0.000 1.167 716 R HN 0.376 nan 8.270 nan 0.000 0.582 717 P HA 0.376 nan 4.420 nan 0.000 0.296 717 P C -1.552 175.749 177.300 0.002 0.000 1.297 717 P CA -0.973 62.114 63.100 -0.021 0.000 0.947 717 P CB 1.074 32.787 31.700 0.020 0.000 1.366 718 N N -1.017 117.695 118.700 0.020 0.000 2.296 718 N HA 0.550 5.290 4.740 -0.000 0.000 0.294 718 N C -0.755 174.777 175.510 0.037 0.000 1.033 718 N CA 0.173 53.245 53.050 0.037 0.000 0.839 718 N CB 1.170 39.686 38.487 0.048 0.000 1.395 718 N HN 0.770 nan 8.380 nan 0.000 0.479 719 G N 2.854 111.675 108.800 0.035 0.000 3.038 719 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.241 719 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.241 719 G C 0.568 175.491 174.900 0.038 0.000 0.968 719 G CA -0.080 45.038 45.100 0.030 0.000 0.949 719 G HN 0.500 nan 8.290 nan 0.000 0.394 720 M N 1.831 121.455 119.600 0.040 0.000 1.712 720 M HA 0.483 4.963 4.480 -0.000 0.000 0.155 720 M C 1.427 177.748 176.300 0.036 0.000 1.239 720 M CA 0.581 55.906 55.300 0.041 0.000 0.705 720 M CB -1.523 31.101 32.600 0.040 0.000 1.049 720 M HN 1.453 nan 8.290 nan 0.000 0.336 721 S N 0.085 115.800 115.700 0.024 0.000 2.629 721 S HA 0.064 4.534 4.470 -0.000 0.000 0.250 721 S C -0.186 174.428 174.600 0.022 0.000 1.318 721 S CA -0.235 57.970 58.200 0.008 0.000 0.970 721 S CB -0.258 62.929 63.200 -0.022 0.000 0.996 721 S HN 0.659 nan 8.310 nan 0.000 0.563 722 D N 1.141 121.541 120.400 0.001 0.000 2.255 722 D HA 0.403 5.043 4.640 -0.000 0.000 0.249 722 D C -0.066 176.268 176.300 0.057 0.000 1.078 722 D CA -0.109 53.913 54.000 0.037 0.000 0.896 722 D CB 0.580 41.400 40.800 0.034 0.000 1.194 722 D HN 0.520 nan 8.370 nan 0.000 0.429 723 E N 1.202 121.460 120.200 0.097 0.000 2.250 723 E HA 0.362 4.712 4.350 -0.000 0.000 0.269 723 E C -2.277 174.421 176.600 0.163 0.000 1.018 723 E CA -1.985 54.482 56.400 0.112 0.000 0.873 723 E CB 1.260 30.991 29.700 0.051 0.000 1.134 723 E HN 0.099 nan 8.360 nan 0.000 0.403 724 P HA 0.094 nan 4.420 nan 0.000 0.281 724 P C -1.129 175.908 177.300 -0.439 0.000 1.252 724 P CA 0.133 63.069 63.100 -0.273 0.000 0.778 724 P CB 0.712 32.250 31.700 -0.270 0.000 0.895 725 Q N 1.581 120.992 119.800 -0.649 0.000 2.587 725 Q HA 0.514 4.854 4.340 -0.000 0.000 0.293 725 Q C -0.726 174.843 176.000 -0.718 0.000 1.083 725 Q CA -0.604 54.930 55.803 -0.449 0.000 0.792 725 Q CB 1.407 30.015 28.738 -0.217 0.000 1.484 725 Q HN 0.343 nan 8.270 nan 0.000 0.446 726 Y N -0.260 119.794 120.300 -0.410 0.000 3.203 726 Y HA 0.618 5.168 4.550 0.000 0.000 0.326 726 Y C -0.072 175.714 175.900 -0.191 0.000 1.438 726 Y CA -0.650 57.263 58.100 -0.311 0.000 0.937 726 Y CB 1.142 39.450 38.460 -0.253 0.000 1.296 726 Y HN 0.323 nan 8.280 nan 0.000 0.766 727 K N -0.577 119.869 120.400 0.077 0.000 2.680 727 K HA 0.519 4.839 4.320 -0.000 0.000 0.295 727 K C -1.832 174.765 176.600 -0.005 0.000 1.052 727 K CA -0.618 55.673 56.287 0.007 0.000 0.863 727 K CB 1.733 34.236 32.500 0.006 0.000 1.549 727 K HN 0.421 nan 8.250 nan 0.000 0.391 728 L N 2.043 123.261 121.223 -0.009 0.000 2.869 728 L HA 0.183 4.523 4.340 -0.000 0.000 0.320 728 L C -0.813 176.069 176.870 0.022 0.000 1.306 728 L CA -0.188 54.655 54.840 0.004 0.000 0.731 728 L CB 1.255 43.300 42.059 -0.023 0.000 1.123 728 L HN 0.543 nan 8.230 nan 0.000 0.553 729 E N 3.171 123.383 120.200 0.020 0.000 2.652 729 E HA 0.062 4.412 4.350 -0.000 0.000 0.255 729 E C -0.299 176.312 176.600 0.018 0.000 0.952 729 E CA 0.737 57.147 56.400 0.016 0.000 0.947 729 E CB 0.508 30.216 29.700 0.015 0.000 0.912 729 E HN 0.369 nan 8.360 nan 0.000 0.489 730 I N -0.104 120.472 120.570 0.010 0.000 2.563 730 I HA 0.316 4.486 4.170 -0.000 0.000 0.285 730 I C -1.136 174.981 176.117 0.000 0.000 1.123 730 I CA -1.208 60.094 61.300 0.003 0.000 1.059 730 I CB 1.627 39.627 38.000 0.000 0.000 1.229 730 I HN 0.091 nan 8.210 nan 0.000 0.442 731 D N 5.346 125.744 120.400 -0.004 0.000 2.308 731 D HA 0.155 4.795 4.640 -0.000 0.000 0.251 731 D C 0.523 176.826 176.300 0.006 0.000 1.127 731 D CA -0.014 53.985 54.000 -0.002 0.000 0.876 731 D CB 1.457 42.251 40.800 -0.011 0.000 1.176 731 D HN 0.442 nan 8.370 nan 0.000 0.446 732 D N 1.811 122.216 120.400 0.008 0.000 2.390 732 D HA -0.076 4.564 4.640 -0.000 0.000 0.235 732 D C 1.071 177.384 176.300 0.020 0.000 1.040 732 D CA 0.549 54.558 54.000 0.015 0.000 0.923 732 D CB 0.278 41.086 40.800 0.012 0.000 0.886 732 D HN 0.551 nan 8.370 nan 0.000 0.532 733 E N 0.783 120.992 120.200 0.015 0.000 2.021 733 E HA -0.005 4.345 4.350 -0.000 0.000 0.191 733 E C 1.748 178.366 176.600 0.030 0.000 0.971 733 E CA 0.364 56.772 56.400 0.013 0.000 0.825 733 E CB 0.030 29.727 29.700 -0.004 0.000 0.788 733 E HN 0.075 nan 8.360 nan 0.000 0.460 734 K N 0.957 121.363 120.400 0.010 0.000 2.211 734 K HA -0.137 4.183 4.320 -0.000 0.000 0.204 734 K C 2.093 178.834 176.600 0.234 0.000 1.047 734 K CA 0.895 57.194 56.287 0.020 0.000 0.935 734 K CB -0.172 32.216 32.500 -0.186 0.000 0.728 734 K HN 0.101 nan 8.250 nan 0.000 0.452 735 A N 1.724 124.647 122.820 0.172 0.000 1.835 735 A HA -0.181 4.139 4.320 -0.000 0.000 0.215 735 A C 2.138 179.783 177.584 0.102 0.000 1.199 735 A CA 2.193 54.320 52.037 0.150 0.000 0.615 735 A CB -0.805 18.231 19.000 0.059 0.000 0.838 735 A HN 0.385 nan 8.150 nan 0.000 0.444 736 S N -0.082 115.659 115.700 0.068 0.000 2.603 736 S HA 0.323 4.793 4.470 -0.000 0.000 0.229 736 S C 1.612 176.250 174.600 0.063 0.000 0.972 736 S CA 0.866 59.095 58.200 0.049 0.000 0.935 736 S CB -0.376 62.844 63.200 0.032 0.000 0.769 736 S HN 0.796 nan 8.310 nan 0.000 0.536 737 A N 2.400 125.283 122.820 0.104 0.000 1.832 737 A HA 0.295 4.615 4.320 -0.000 0.000 0.214 737 A C 1.777 179.431 177.584 0.116 0.000 1.204 737 A CA 0.784 52.888 52.037 0.111 0.000 0.606 737 A CB -0.666 18.416 19.000 0.136 0.000 0.849 737 A HN 0.538 nan 8.150 nan 0.000 0.445 738 L N 0.244 121.567 121.223 0.167 0.000 2.805 738 L HA 0.270 4.610 4.340 -0.000 0.000 0.237 738 L C 0.947 177.825 176.870 0.014 0.000 1.252 738 L CA 0.203 55.096 54.840 0.090 0.000 1.064 738 L CB -0.738 41.375 42.059 0.090 0.000 1.361 738 L HN 0.649 nan 8.230 nan 0.000 0.474 739 G N 0.716 109.530 108.800 0.024 0.000 2.462 739 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.283 739 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.283 739 G C -0.490 174.399 174.900 -0.018 0.000 1.043 739 G CA -0.154 44.949 45.100 0.005 0.000 1.300 739 G HN 0.161 nan 8.290 nan 0.000 0.518 740 V N 2.023 121.928 119.914 -0.016 0.000 2.568 740 V HA 0.521 4.641 4.120 -0.000 0.000 0.276 740 V C 0.771 176.858 176.094 -0.011 0.000 1.002 740 V CA -0.308 61.973 62.300 -0.032 0.000 0.879 740 V CB 1.216 32.987 31.823 -0.087 0.000 1.040 740 V HN 1.219 nan 8.190 nan 0.000 0.457 741 S N 4.969 120.667 115.700 -0.003 0.000 2.617 741 S HA 0.459 4.929 4.470 -0.000 0.000 0.255 741 S C 0.467 175.068 174.600 0.002 0.000 1.318 741 S CA -0.461 57.741 58.200 0.003 0.000 0.978 741 S CB 0.659 63.862 63.200 0.006 0.000 0.961 741 S HN 0.529 nan 8.310 nan 0.000 0.582 742 L N 0.706 121.933 121.223 0.006 0.000 2.968 742 L HA 0.326 4.666 4.340 -0.000 0.000 0.235 742 L C 1.380 178.257 176.870 0.011 0.000 1.323 742 L CA -0.035 54.810 54.840 0.008 0.000 1.159 742 L CB -0.754 41.311 42.059 0.009 0.000 1.523 742 L HN 0.923 nan 8.230 nan 0.000 0.468 743 A N -1.484 121.343 122.820 0.012 0.000 2.211 743 A HA 0.106 4.426 4.320 -0.000 0.000 0.208 743 A C 1.321 178.916 177.584 0.019 0.000 1.250 743 A CA 0.089 52.134 52.037 0.015 0.000 0.935 743 A CB 0.284 19.292 19.000 0.013 0.000 0.982 743 A HN 0.277 nan 8.150 nan 0.000 0.490 744 D N 0.438 120.850 120.400 0.019 0.000 2.527 744 D HA 0.030 4.670 4.640 -0.000 0.000 0.249 744 D C 1.980 178.305 176.300 0.042 0.000 1.029 744 D CA 1.276 55.294 54.000 0.029 0.000 0.951 744 D CB -0.467 40.349 40.800 0.026 0.000 1.093 744 D HN 0.465 nan 8.370 nan 0.000 0.464 745 I N -0.181 120.404 120.570 0.024 0.000 2.530 745 I HA -0.194 3.976 4.170 -0.000 0.000 0.257 745 I C 1.141 177.293 176.117 0.058 0.000 1.179 745 I CA 1.174 62.491 61.300 0.029 0.000 1.440 745 I CB -0.497 37.471 38.000 -0.052 0.000 1.087 745 I HN -0.173 nan 8.210 nan 0.000 0.440 746 N N 1.943 120.667 118.700 0.040 0.000 2.148 746 N HA -0.096 4.644 4.740 -0.000 0.000 0.186 746 N C 1.595 177.131 175.510 0.044 0.000 1.031 746 N CA 1.803 54.876 53.050 0.038 0.000 0.848 746 N CB -0.394 38.107 38.487 0.024 0.000 1.005 746 N HN 0.526 nan 8.380 nan 0.000 0.427 747 S N -1.514 114.208 115.700 0.037 0.000 2.602 747 S HA 0.229 4.699 4.470 -0.000 0.000 0.246 747 S C 0.905 175.523 174.600 0.029 0.000 1.009 747 S CA -0.196 58.021 58.200 0.028 0.000 1.052 747 S CB 0.274 63.486 63.200 0.020 0.000 0.778 747 S HN 0.203 nan 8.310 nan 0.000 0.455 748 T N -0.164 114.421 114.554 0.052 0.000 2.964 748 T HA 0.195 4.545 4.350 -0.000 0.000 0.250 748 T C 1.385 176.091 174.700 0.010 0.000 0.982 748 T CA 0.530 62.655 62.100 0.041 0.000 0.959 748 T CB -0.032 68.899 68.868 0.104 0.000 1.141 748 T HN 0.227 nan 8.240 nan 0.000 0.494 749 V N 2.554 122.534 119.914 0.110 0.000 2.453 749 V HA -0.060 4.060 4.120 -0.000 0.000 0.247 749 V C 2.850 179.033 176.094 0.148 0.000 1.048 749 V CA 2.007 64.414 62.300 0.177 0.000 1.049 749 V CB -0.707 31.255 31.823 0.232 0.000 0.672 749 V HN 0.648 nan 8.190 nan 0.000 0.457 750 S N 2.163 117.901 115.700 0.065 0.000 2.348 750 S HA -0.155 4.315 4.470 -0.000 0.000 0.221 750 S C 1.866 176.474 174.600 0.013 0.000 1.033 750 S CA 1.716 59.940 58.200 0.041 0.000 1.010 750 S CB -0.779 62.432 63.200 0.020 0.000 0.891 750 S HN 0.740 nan 8.310 nan 0.000 0.442 751 I N -1.193 119.357 120.570 -0.033 0.000 3.749 751 I HA 0.572 4.742 4.170 -0.000 0.000 0.314 751 I C 1.400 177.425 176.117 -0.153 0.000 1.278 751 I CA 0.215 61.481 61.300 -0.057 0.000 1.158 751 I CB -0.184 37.787 38.000 -0.047 0.000 1.018 751 I HN 0.337 nan 8.210 nan 0.000 0.435 752 A N 0.386 123.039 122.820 -0.279 0.000 1.997 752 A HA 0.214 4.534 4.320 -0.000 0.000 0.198 752 A C 1.476 178.710 177.584 -0.582 0.000 1.449 752 A CA -0.103 51.543 52.037 -0.652 0.000 0.908 752 A CB -0.608 17.567 19.000 -1.374 0.000 0.984 752 A HN 0.579 nan 8.150 nan 0.000 0.487 753 W N 0.440 121.558 121.300 -0.304 0.000 2.539 753 W HA 0.276 4.936 4.660 -0.000 0.000 0.281 753 W C 2.184 178.654 176.519 -0.083 0.000 1.220 753 W CA 0.939 58.171 57.345 -0.188 0.000 1.332 753 W CB -0.203 29.131 29.460 -0.209 0.000 1.095 753 W HN 0.384 nan 8.180 nan 0.000 0.571 754 G N -0.415 108.470 108.800 0.143 0.000 2.568 754 G HA2 0.385 4.345 3.960 -0.000 0.000 0.212 754 G HA3 0.385 4.345 3.960 -0.000 0.000 0.212 754 G C 0.269 175.234 174.900 0.108 0.000 1.821 754 G CA 1.154 46.322 45.100 0.113 0.000 0.904 754 G HN 0.138 nan 8.290 nan 0.000 0.566 755 S N -3.068 112.699 115.700 0.111 0.000 2.715 755 S HA 0.600 5.070 4.470 -0.000 0.000 0.284 755 S C -1.112 173.559 174.600 0.120 0.000 1.216 755 S CA 0.294 58.583 58.200 0.149 0.000 0.970 755 S CB 1.276 64.648 63.200 0.286 0.000 1.273 755 S HN 1.265 nan 8.310 nan 0.000 0.509 756 S N 0.003 115.782 115.700 0.131 0.000 2.511 756 S HA 0.353 4.823 4.470 -0.000 0.000 0.283 756 S C -1.815 172.658 174.600 -0.212 0.000 1.078 756 S CA -0.601 57.599 58.200 0.000 0.000 0.994 756 S CB 0.268 63.447 63.200 -0.035 0.000 1.171 756 S HN 1.065 nan 8.310 nan 0.000 0.444 757 Y N 5.911 125.960 120.300 -0.419 0.000 2.677 757 Y HA 0.319 4.869 4.550 -0.000 0.000 0.335 757 Y C 0.771 176.478 175.900 -0.321 0.000 1.162 757 Y CA 0.893 58.610 58.100 -0.638 0.000 1.483 757 Y CB 0.459 38.663 38.460 -0.425 0.000 1.209 757 Y HN 0.468 nan 8.280 nan 0.000 0.528 758 V N 4.277 123.734 119.914 -0.762 0.000 2.870 758 V HA 0.205 4.325 4.120 -0.000 0.000 0.232 758 V C 0.004 175.772 176.094 -0.543 0.000 1.161 758 V CA 0.290 62.308 62.300 -0.471 0.000 1.204 758 V CB -0.184 31.455 31.823 -0.306 0.000 1.003 758 V HN 0.615 nan 8.190 nan 0.000 0.499 759 N N -0.757 117.590 118.700 -0.588 0.000 2.571 759 N HA 0.474 5.214 4.740 -0.000 0.000 0.273 759 N C -1.627 173.731 175.510 -0.253 0.000 1.340 759 N CA -0.632 52.224 53.050 -0.324 0.000 0.789 759 N CB 1.544 39.982 38.487 -0.082 0.000 1.514 759 N HN 0.097 nan 8.380 nan 0.000 0.499 760 D N 0.010 120.395 120.400 -0.025 0.000 2.294 760 D HA 0.530 5.170 4.640 -0.000 0.000 0.250 760 D C -0.749 175.698 176.300 0.246 0.000 1.058 760 D CA 0.116 54.171 54.000 0.092 0.000 0.950 760 D CB 0.903 41.754 40.800 0.085 0.000 1.158 760 D HN 0.400 nan 8.370 nan 0.000 0.453 761 F N -0.704 119.291 119.950 0.076 0.000 2.615 761 F HA 0.425 4.952 4.527 0.000 0.000 0.312 761 F C -0.757 175.101 175.800 0.097 0.000 1.119 761 F CA -1.343 56.731 58.000 0.124 0.000 0.979 761 F CB 0.395 39.543 39.000 0.248 0.000 1.266 761 F HN 0.189 nan 8.300 nan 0.000 0.444 762 I N 1.375 122.014 120.570 0.115 0.000 2.588 762 I HA 0.448 4.618 4.170 -0.000 0.000 0.283 762 I C -0.816 175.344 176.117 0.071 0.000 1.119 762 I CA 0.155 61.461 61.300 0.011 0.000 1.419 762 I CB 1.021 39.052 38.000 0.052 0.000 1.394 762 I HN 0.704 nan 8.210 nan 0.000 0.562 763 D N 5.862 126.243 120.400 -0.033 0.000 2.323 763 D HA 0.257 4.897 4.640 -0.000 0.000 0.242 763 D C -0.073 176.252 176.300 0.040 0.000 1.347 763 D CA -0.624 53.412 54.000 0.059 0.000 0.988 763 D CB 0.687 41.511 40.800 0.041 0.000 1.314 763 D HN 0.653 nan 8.370 nan 0.000 0.564 764 R N 2.514 123.045 120.500 0.052 0.000 3.525 764 R HA -0.161 4.179 4.340 -0.000 0.000 0.276 764 R C 1.057 177.362 176.300 0.007 0.000 1.116 764 R CA 1.010 57.130 56.100 0.034 0.000 0.745 764 R CB -1.635 28.694 30.300 0.049 0.000 1.185 764 R HN 0.862 nan 8.270 nan 0.000 0.454 765 G N -0.335 108.465 108.800 0.001 0.000 2.179 765 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.260 765 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.260 765 G C 0.068 174.950 174.900 -0.030 0.000 0.977 765 G CA 0.444 45.536 45.100 -0.014 0.000 0.641 765 G HN 0.461 nan 8.290 nan 0.000 0.533 766 R N 0.564 121.036 120.500 -0.045 0.000 2.337 766 R HA 0.550 4.890 4.340 -0.000 0.000 0.319 766 R C 0.400 176.627 176.300 -0.122 0.000 0.954 766 R CA -0.653 55.406 56.100 -0.069 0.000 0.840 766 R CB 1.149 31.410 30.300 -0.064 0.000 1.164 766 R HN 0.100 nan 8.270 nan 0.000 0.472 767 V N 5.737 125.590 119.914 -0.102 0.000 2.584 767 V HA -0.078 4.042 4.120 -0.000 0.000 0.303 767 V C 0.404 176.390 176.094 -0.180 0.000 1.035 767 V CA 0.952 63.174 62.300 -0.131 0.000 1.172 767 V CB 0.108 31.901 31.823 -0.050 0.000 0.896 767 V HN 0.824 nan 8.190 nan 0.000 0.486 768 K N 4.823 125.008 120.400 -0.358 0.000 2.047 768 K HA 0.732 5.052 4.320 -0.000 0.000 0.244 768 K C -0.874 175.639 176.600 -0.145 0.000 1.048 768 K CA -1.245 54.861 56.287 -0.301 0.000 0.871 768 K CB 1.775 34.002 32.500 -0.455 0.000 1.445 768 K HN 0.446 nan 8.250 nan 0.000 0.514 769 R N 0.936 121.507 120.500 0.118 0.000 2.686 769 R HA 0.389 4.729 4.340 -0.000 0.000 0.286 769 R C -0.803 175.745 176.300 0.414 0.000 0.969 769 R CA -0.941 55.349 56.100 0.316 0.000 0.898 769 R CB 1.948 32.579 30.300 0.552 0.000 1.183 769 R HN 0.432 nan 8.270 nan 0.000 0.456 770 V N 0.020 119.986 119.914 0.088 0.000 2.407 770 V HA 0.528 4.648 4.120 -0.000 0.000 0.278 770 V C -1.065 174.883 176.094 -0.243 0.000 1.037 770 V CA -0.502 61.716 62.300 -0.136 0.000 0.900 770 V CB 0.638 32.238 31.823 -0.373 0.000 0.983 770 V HN 0.598 nan 8.190 nan 0.000 0.459 771 Y N 3.788 123.954 120.300 -0.223 0.000 2.446 771 Y HA 0.664 5.214 4.550 -0.000 0.000 0.345 771 Y C -0.067 175.667 175.900 -0.275 0.000 0.984 771 Y CA -0.851 57.138 58.100 -0.185 0.000 1.058 771 Y CB 2.393 40.786 38.460 -0.110 0.000 1.220 771 Y HN 0.639 nan 8.280 nan 0.000 0.455 772 L N 4.420 125.599 121.223 -0.073 0.000 2.301 772 L HA 0.430 4.770 4.340 -0.000 0.000 0.278 772 L C -0.817 176.019 176.870 -0.056 0.000 1.022 772 L CA -0.217 54.555 54.840 -0.114 0.000 0.854 772 L CB 0.664 42.661 42.059 -0.102 0.000 1.226 772 L HN 0.616 nan 8.230 nan 0.000 0.429 773 Q N 1.484 121.230 119.800 -0.089 0.000 2.348 773 Q HA 0.491 4.831 4.340 -0.000 0.000 0.271 773 Q C 0.141 176.238 176.000 0.161 0.000 1.067 773 Q CA -0.786 55.052 55.803 0.058 0.000 0.839 773 Q CB 2.635 31.501 28.738 0.214 0.000 1.354 773 Q HN 0.661 nan 8.270 nan 0.000 0.447 774 G N 0.839 109.705 108.800 0.110 0.000 2.606 774 G HA2 0.145 4.105 3.960 -0.000 0.000 0.252 774 G HA3 0.145 4.105 3.960 -0.000 0.000 0.252 774 G C -0.350 174.733 174.900 0.306 0.000 1.206 774 G CA -0.312 44.937 45.100 0.249 0.000 0.861 774 G HN 0.536 nan 8.290 nan 0.000 0.561 775 R N 1.630 122.285 120.500 0.258 0.000 2.538 775 R HA 0.045 4.385 4.340 -0.000 0.000 0.282 775 R C -1.337 174.947 176.300 -0.028 0.000 1.009 775 R CA -0.854 55.301 56.100 0.092 0.000 1.063 775 R CB 0.616 30.922 30.300 0.010 0.000 0.945 775 R HN 0.217 nan 8.270 nan 0.000 0.414 776 P HA -0.180 nan 4.420 nan 0.000 0.218 776 P C -0.028 177.201 177.300 -0.119 0.000 1.146 776 P CA 1.181 64.161 63.100 -0.201 0.000 0.813 776 P CB 0.219 31.701 31.700 -0.363 0.000 0.778 777 D N -0.006 120.325 120.400 -0.115 0.000 2.084 777 D HA -0.077 4.563 4.640 -0.000 0.000 0.194 777 D C 1.113 177.380 176.300 -0.055 0.000 0.990 777 D CA 1.246 55.197 54.000 -0.083 0.000 0.826 777 D CB -0.819 39.927 40.800 -0.089 0.000 0.971 777 D HN 0.092 nan 8.370 nan 0.000 0.453 778 A N 0.204 122.983 122.820 -0.069 0.000 3.000 778 A HA 0.481 4.801 4.320 -0.000 0.000 0.315 778 A C 0.811 178.379 177.584 -0.027 0.000 1.434 778 A CA -0.264 51.730 52.037 -0.071 0.000 1.108 778 A CB 0.020 18.889 19.000 -0.218 0.000 1.171 778 A HN 0.069 nan 8.150 nan 0.000 0.524 779 R N 1.298 121.799 120.500 0.001 0.000 2.333 779 R HA 0.070 4.410 4.340 -0.000 0.000 0.082 779 R C 0.111 176.524 176.300 0.188 0.000 0.528 779 R CA 0.479 56.557 56.100 -0.037 0.000 0.877 779 R CB -0.521 29.736 30.300 -0.072 0.000 1.050 779 R HN 0.673 nan 8.270 nan 0.000 0.526 780 M N 0.393 120.079 119.600 0.143 0.000 2.313 780 M HA 0.309 4.789 4.480 -0.000 0.000 0.273 780 M C -0.945 175.425 176.300 0.116 0.000 1.049 780 M CA 0.233 55.598 55.300 0.108 0.000 1.004 780 M CB 0.518 33.143 32.600 0.041 0.000 1.461 780 M HN -0.094 nan 8.290 nan 0.000 0.514 781 N N -1.095 117.700 118.700 0.160 0.000 2.610 781 N HA 0.360 5.100 4.740 -0.000 0.000 0.264 781 N C -2.371 173.213 175.510 0.124 0.000 1.348 781 N CA -1.103 52.022 53.050 0.125 0.000 0.819 781 N CB 1.481 40.033 38.487 0.109 0.000 1.521 781 N HN -0.295 nan 8.380 nan 0.000 0.497 782 P HA -0.086 nan 4.420 nan 0.000 0.214 782 P C 0.376 177.741 177.300 0.108 0.000 1.163 782 P CA 1.372 64.517 63.100 0.076 0.000 0.889 782 P CB 0.337 32.185 31.700 0.246 0.000 0.790 783 D N -0.894 119.582 120.400 0.126 0.000 2.310 783 D HA -0.105 4.535 4.640 -0.000 0.000 0.212 783 D C 0.684 177.075 176.300 0.151 0.000 0.965 783 D CA 0.884 54.956 54.000 0.120 0.000 0.879 783 D CB -0.714 40.142 40.800 0.092 0.000 0.921 783 D HN 0.165 nan 8.370 nan 0.000 0.510 784 D N -0.088 120.431 120.400 0.198 0.000 2.368 784 D HA -0.016 4.624 4.640 -0.000 0.000 0.250 784 D C 1.864 178.434 176.300 0.449 0.000 1.142 784 D CA 0.064 54.208 54.000 0.240 0.000 0.925 784 D CB -0.114 40.819 40.800 0.223 0.000 0.896 784 D HN 0.291 nan 8.370 nan 0.000 0.525 785 L N 0.254 121.718 121.223 0.402 0.000 2.068 785 L HA -0.124 4.216 4.340 -0.000 0.000 0.204 785 L C 2.468 179.465 176.870 0.212 0.000 1.076 785 L CA 0.994 56.080 54.840 0.410 0.000 0.753 785 L CB -0.437 41.696 42.059 0.124 0.000 0.910 785 L HN 0.058 nan 8.230 nan 0.000 0.439 786 S N -0.186 115.613 115.700 0.165 0.000 2.419 786 S HA -0.214 4.256 4.470 -0.000 0.000 0.235 786 S C 1.792 176.404 174.600 0.021 0.000 1.019 786 S CA 0.963 59.236 58.200 0.123 0.000 0.982 786 S CB -0.482 62.785 63.200 0.112 0.000 0.789 786 S HN 0.359 nan 8.310 nan 0.000 0.490 787 K N -0.052 120.350 120.400 0.004 0.000 2.360 787 K HA -0.062 4.258 4.320 -0.000 0.000 0.201 787 K C -0.401 176.086 176.600 -0.187 0.000 1.046 787 K CA 0.703 56.921 56.287 -0.115 0.000 0.940 787 K CB -0.144 32.168 32.500 -0.314 0.000 0.748 787 K HN 0.536 nan 8.250 nan 0.000 0.465 788 W N 0.489 121.768 121.300 -0.036 0.000 2.361 788 W HA 0.274 4.934 4.660 0.000 0.000 0.309 788 W C -0.300 176.311 176.519 0.153 0.000 1.122 788 W CA -0.743 56.616 57.345 0.024 0.000 1.208 788 W CB 0.497 29.834 29.460 -0.205 0.000 1.246 788 W HN -0.128 nan 8.180 nan 0.000 0.490 789 Y N 1.711 122.243 120.300 0.387 0.000 2.468 789 Y HA 0.624 5.174 4.550 -0.000 0.000 0.342 789 Y C -0.012 176.037 175.900 0.249 0.000 1.021 789 Y CA -1.350 56.921 58.100 0.285 0.000 1.079 789 Y CB 1.452 39.993 38.460 0.135 0.000 1.226 789 Y HN -0.010 nan 8.280 nan 0.000 0.460 790 V N 3.554 123.625 119.914 0.262 0.000 2.555 790 V HA 0.494 4.614 4.120 -0.000 0.000 0.302 790 V C -0.254 175.885 176.094 0.075 0.000 1.038 790 V CA -1.393 60.994 62.300 0.145 0.000 0.887 790 V CB 1.667 33.518 31.823 0.047 0.000 0.991 790 V HN 0.789 nan 8.190 nan 0.000 0.434 791 R N 2.522 123.063 120.500 0.068 0.000 2.738 791 R HA 0.283 4.623 4.340 -0.000 0.000 0.268 791 R C -0.491 175.808 176.300 -0.002 0.000 1.062 791 R CA -0.448 55.675 56.100 0.038 0.000 1.158 791 R CB 0.220 30.545 30.300 0.042 0.000 1.046 791 R HN 0.606 nan 8.270 nan 0.000 0.493 792 N N 0.451 119.147 118.700 -0.007 0.000 2.495 792 N HA 0.078 4.818 4.740 -0.000 0.000 0.280 792 N C -0.407 175.100 175.510 -0.006 0.000 1.168 792 N CA -0.688 52.350 53.050 -0.020 0.000 0.978 792 N CB 0.925 39.400 38.487 -0.019 0.000 1.191 792 N HN 0.570 nan 8.380 nan 0.000 0.497 793 D N 0.339 120.736 120.400 -0.006 0.000 2.378 793 D HA -0.020 4.620 4.640 -0.000 0.000 0.227 793 D C 0.539 176.841 176.300 0.004 0.000 1.012 793 D CA 1.073 55.074 54.000 0.002 0.000 0.905 793 D CB 0.276 41.078 40.800 0.003 0.000 0.895 793 D HN 0.472 nan 8.370 nan 0.000 0.532 794 K N -1.893 118.509 120.400 0.004 0.000 2.462 794 K HA 0.343 4.663 4.320 -0.000 0.000 0.201 794 K C 1.348 177.951 176.600 0.006 0.000 1.268 794 K CA 0.539 56.830 56.287 0.006 0.000 0.933 794 K CB 2.016 34.521 32.500 0.007 0.000 1.162 794 K HN 0.082 nan 8.250 nan 0.000 0.527 795 G N 0.981 109.784 108.800 0.005 0.000 3.675 795 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.206 795 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.206 795 G C -0.263 174.640 174.900 0.006 0.000 1.086 795 G CA -0.540 44.564 45.100 0.006 0.000 0.894 795 G HN 0.134 nan 8.290 nan 0.000 0.412 796 E N 0.818 121.020 120.200 0.003 0.000 2.470 796 E HA 0.422 4.772 4.350 -0.000 0.000 0.258 796 E C 0.240 176.845 176.600 0.007 0.000 1.295 796 E CA 0.198 56.600 56.400 0.003 0.000 1.032 796 E CB 0.248 29.952 29.700 0.007 0.000 0.980 796 E HN 0.191 nan 8.360 nan 0.000 0.500 797 M N 0.536 120.148 119.600 0.019 0.000 2.598 797 M HA 0.434 4.914 4.480 -0.000 0.000 0.317 797 M C -0.620 175.733 176.300 0.090 0.000 1.201 797 M CA -0.894 54.446 55.300 0.068 0.000 0.971 797 M CB 1.590 34.223 32.600 0.055 0.000 1.657 797 M HN 0.172 nan 8.290 nan 0.000 0.470 798 V N 2.847 122.825 119.914 0.106 0.000 2.577 798 V HA 0.435 4.555 4.120 -0.000 0.000 0.303 798 V C -2.301 173.717 176.094 -0.128 0.000 1.042 798 V CA -1.428 60.775 62.300 -0.161 0.000 0.872 798 V CB 2.458 33.933 31.823 -0.579 0.000 0.998 798 V HN 0.641 nan 8.190 nan 0.000 0.423 799 P HA 0.359 nan 4.420 nan 0.000 0.279 799 P C 0.107 177.391 177.300 -0.027 0.000 1.282 799 P CA -0.238 62.603 63.100 -0.431 0.000 0.788 799 P CB 0.755 32.377 31.700 -0.130 0.000 1.139 800 F N -0.947 118.943 119.950 -0.101 0.000 2.727 800 F HA 0.067 4.594 4.527 -0.000 0.000 0.302 800 F C 1.689 177.563 175.800 0.125 0.000 1.097 800 F CA 0.416 58.467 58.000 0.086 0.000 1.330 800 F CB -0.536 38.526 39.000 0.103 0.000 1.084 800 F HN 0.130 nan 8.300 nan 0.000 0.578 801 N N 1.405 120.252 118.700 0.245 0.000 2.003 801 N HA -0.173 4.567 4.740 -0.000 0.000 0.195 801 N C 1.649 177.201 175.510 0.071 0.000 1.083 801 N CA 1.697 54.841 53.050 0.156 0.000 0.875 801 N CB -0.976 37.592 38.487 0.133 0.000 1.067 801 N HN 0.111 nan 8.380 nan 0.000 0.428 802 A N -0.804 121.996 122.820 -0.033 0.000 2.503 802 A HA 0.318 4.638 4.320 -0.000 0.000 0.263 802 A C -0.162 176.966 177.584 -0.759 0.000 1.360 802 A CA -0.102 51.722 52.037 -0.355 0.000 0.969 802 A CB -0.964 17.765 19.000 -0.452 0.000 1.000 802 A HN 0.329 nan 8.150 nan 0.000 0.530 803 F N -1.472 118.440 119.950 -0.063 0.000 2.901 803 F HA 0.549 5.076 4.527 0.000 0.000 0.329 803 F C 0.421 176.102 175.800 -0.199 0.000 1.185 803 F CA 0.291 58.207 58.000 -0.140 0.000 1.114 803 F CB 0.592 39.471 39.000 -0.201 0.000 1.199 803 F HN 0.283 nan 8.300 nan 0.000 0.513 804 A N 0.109 122.945 122.820 0.026 0.000 2.596 804 A HA 0.539 4.859 4.320 -0.000 0.000 0.305 804 A C -1.099 176.552 177.584 0.111 0.000 1.032 804 A CA -0.389 51.685 52.037 0.062 0.000 0.776 804 A CB 0.766 19.831 19.000 0.109 0.000 1.253 804 A HN -0.028 nan 8.150 nan 0.000 0.402 805 T N 0.274 114.879 114.554 0.084 0.000 2.924 805 T HA 0.809 5.159 4.350 -0.000 0.000 0.291 805 T C 0.010 174.758 174.700 0.080 0.000 1.045 805 T CA 0.204 62.350 62.100 0.076 0.000 1.015 805 T CB 1.659 70.552 68.868 0.042 0.000 1.103 805 T HN 2.047 nan 8.240 nan 0.000 0.496 806 G N 2.969 111.823 108.800 0.089 0.000 2.683 806 G HA2 0.578 4.538 3.960 -0.000 0.000 0.299 806 G HA3 0.578 4.538 3.960 -0.000 0.000 0.299 806 G C -0.546 174.434 174.900 0.134 0.000 1.432 806 G CA -0.624 44.539 45.100 0.105 0.000 0.978 806 G HN 0.733 nan 8.290 nan 0.000 0.513 807 K N 0.644 121.117 120.400 0.122 0.000 2.385 807 K HA 0.524 4.844 4.320 -0.000 0.000 0.274 807 K C -0.982 175.721 176.600 0.172 0.000 0.981 807 K CA -0.902 55.459 56.287 0.123 0.000 1.400 807 K CB 1.445 33.986 32.500 0.067 0.000 2.019 807 K HN 0.474 nan 8.250 nan 0.000 0.855 808 W N 1.382 122.577 121.300 -0.176 0.000 3.698 808 W HA 0.222 4.882 4.660 0.000 0.000 0.315 808 W C -1.521 174.802 176.519 -0.327 0.000 1.129 808 W CA -0.093 57.046 57.345 -0.344 0.000 1.299 808 W CB 1.151 30.399 29.460 -0.353 0.000 1.181 808 W HN 0.628 nan 8.180 nan 0.000 0.423 809 E N 2.187 122.066 120.200 -0.534 0.000 2.440 809 E HA 0.479 4.829 4.350 -0.000 0.000 0.263 809 E C -1.756 174.483 176.600 -0.601 0.000 0.938 809 E CA -1.022 55.148 56.400 -0.383 0.000 0.831 809 E CB 2.792 32.389 29.700 -0.172 0.000 1.456 809 E HN 0.246 nan 8.360 nan 0.000 0.427 810 Y N -0.376 119.849 120.300 -0.126 0.000 2.331 810 Y HA 0.453 5.003 4.550 -0.000 0.000 0.334 810 Y C 0.595 176.457 175.900 -0.064 0.000 0.960 810 Y CA -0.646 57.393 58.100 -0.102 0.000 1.130 810 Y CB 2.026 40.468 38.460 -0.030 0.000 1.164 810 Y HN 0.640 nan 8.280 nan 0.000 0.458 811 G N 1.137 109.988 108.800 0.086 0.000 3.329 811 G HA2 0.547 4.506 3.960 -0.000 0.000 0.180 811 G HA3 0.547 4.506 3.960 -0.000 0.000 0.180 811 G C -0.819 174.123 174.900 0.069 0.000 1.640 811 G CA -0.383 44.742 45.100 0.042 0.000 1.018 811 G HN 0.661 nan 8.290 nan 0.000 0.581 812 S N -0.972 114.746 115.700 0.030 0.000 2.546 812 S HA 0.346 4.816 4.470 -0.000 0.000 0.303 812 S C -2.478 172.125 174.600 0.004 0.000 1.067 812 S CA -0.714 57.508 58.200 0.037 0.000 0.944 812 S CB 1.894 65.109 63.200 0.025 0.000 1.155 812 S HN 0.186 nan 8.310 nan 0.000 0.449 813 P HA -0.070 nan 4.420 nan 0.000 0.214 813 P C -0.210 177.086 177.300 -0.006 0.000 1.163 813 P CA 1.481 64.586 63.100 0.009 0.000 0.889 813 P CB 0.107 31.818 31.700 0.019 0.000 0.790 814 K N -0.714 119.681 120.400 -0.010 0.000 2.468 814 K HA 0.480 4.800 4.320 -0.000 0.000 0.252 814 K C -0.965 175.603 176.600 -0.054 0.000 0.932 814 K CA -0.606 55.662 56.287 -0.032 0.000 0.794 814 K CB 2.232 34.717 32.500 -0.024 0.000 1.241 814 K HN -0.097 nan 8.250 nan 0.000 0.428 815 L N 3.041 124.207 121.223 -0.096 0.000 2.298 815 L HA 0.351 4.691 4.340 -0.000 0.000 0.284 815 L C -0.219 176.550 176.870 -0.167 0.000 1.013 815 L CA -0.525 54.234 54.840 -0.135 0.000 0.824 815 L CB 1.405 43.355 42.059 -0.183 0.000 1.221 815 L HN 0.545 nan 8.230 nan 0.000 0.418 816 E N 3.837 123.919 120.200 -0.198 0.000 2.214 816 E HA 0.592 4.942 4.350 -0.000 0.000 0.274 816 E C -0.884 175.414 176.600 -0.503 0.000 0.977 816 E CA -0.803 55.375 56.400 -0.370 0.000 0.827 816 E CB 2.144 31.622 29.700 -0.371 0.000 1.130 816 E HN 0.448 nan 8.360 nan 0.000 0.394 817 R N 1.672 121.733 120.500 -0.732 0.000 2.725 817 R HA 0.444 4.784 4.340 -0.000 0.000 0.277 817 R C -1.410 174.287 176.300 -1.005 0.000 0.987 817 R CA -0.789 54.917 56.100 -0.657 0.000 0.901 817 R CB 1.558 31.654 30.300 -0.339 0.000 1.207 817 R HN 0.506 nan 8.270 nan 0.000 0.463 818 Y N 1.423 121.573 120.300 -0.249 0.000 2.322 818 Y HA 0.262 4.812 4.550 -0.000 0.000 0.324 818 Y C -0.231 175.605 175.900 -0.107 0.000 1.027 818 Y CA -1.122 56.835 58.100 -0.238 0.000 1.179 818 Y CB 1.679 39.922 38.460 -0.361 0.000 1.136 818 Y HN 0.636 nan 8.280 nan 0.000 0.449 819 N N 2.358 121.089 118.700 0.051 0.000 2.780 819 N HA -0.159 4.581 4.740 -0.000 0.000 0.247 819 N C 0.702 176.215 175.510 0.004 0.000 1.076 819 N CA 1.259 54.333 53.050 0.038 0.000 0.688 819 N CB -1.103 37.426 38.487 0.070 0.000 0.957 819 N HN 1.247 nan 8.380 nan 0.000 0.551 820 G N -1.937 106.845 108.800 -0.030 0.000 2.225 820 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.264 820 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.264 820 G C -0.263 174.616 174.900 -0.035 0.000 1.060 820 G CA 0.319 45.396 45.100 -0.037 0.000 0.833 820 G HN 0.738 nan 8.290 nan 0.000 0.498 821 V N -0.168 119.717 119.914 -0.049 0.000 2.891 821 V HA 0.485 4.605 4.120 -0.000 0.000 0.304 821 V C -2.397 173.655 176.094 -0.069 0.000 1.171 821 V CA -1.515 60.764 62.300 -0.035 0.000 0.943 821 V CB 2.872 34.698 31.823 0.006 0.000 1.037 821 V HN 0.087 nan 8.190 nan 0.000 0.427 822 P HA 0.527 nan 4.420 nan 0.000 0.267 822 P C -0.539 176.744 177.300 -0.028 0.000 1.205 822 P CA 0.394 63.453 63.100 -0.068 0.000 0.765 822 P CB 0.964 32.652 31.700 -0.021 0.000 0.828 823 A N 3.110 125.892 122.820 -0.063 0.000 2.524 823 A HA 0.883 5.203 4.320 -0.000 0.000 0.303 823 A C -1.658 175.953 177.584 0.044 0.000 1.195 823 A CA -0.460 51.608 52.037 0.052 0.000 0.651 823 A CB 1.139 20.274 19.000 0.225 0.000 1.323 823 A HN 0.430 nan 8.150 nan 0.000 0.479 824 M N 0.708 120.409 119.600 0.168 0.000 2.284 824 M HA 0.380 4.860 4.480 -0.000 0.000 0.281 824 M C -0.823 175.637 176.300 0.266 0.000 1.083 824 M CA -0.036 55.356 55.300 0.154 0.000 0.965 824 M CB 1.947 34.593 32.600 0.076 0.000 1.717 824 M HN 0.826 nan 8.290 nan 0.000 0.479 825 E N 3.983 124.378 120.200 0.324 0.000 2.384 825 E HA 0.466 4.816 4.350 -0.000 0.000 0.266 825 E C -1.251 175.420 176.600 0.117 0.000 1.012 825 E CA -0.089 56.557 56.400 0.411 0.000 0.901 825 E CB 0.768 30.743 29.700 0.458 0.000 0.967 825 E HN 0.711 nan 8.360 nan 0.000 0.435 826 I N 5.364 125.929 120.570 -0.008 0.000 2.586 826 I HA 0.266 4.436 4.170 -0.000 0.000 0.288 826 I C -1.513 174.476 176.117 -0.213 0.000 1.147 826 I CA -0.717 60.502 61.300 -0.135 0.000 1.047 826 I CB 0.723 38.571 38.000 -0.253 0.000 1.244 826 I HN 0.557 nan 8.210 nan 0.000 0.429 827 L N 6.546 127.590 121.223 -0.297 0.000 2.578 827 L HA 1.002 5.342 4.340 -0.000 0.000 0.259 827 L C 0.421 176.811 176.870 -0.799 0.000 1.082 827 L CA -0.870 53.634 54.840 -0.561 0.000 0.843 827 L CB 1.365 43.165 42.059 -0.431 0.000 1.535 827 L HN 0.820 nan 8.230 nan 0.000 0.510 828 G N -0.326 107.849 108.800 -1.043 0.000 2.351 828 G HA2 0.181 4.141 3.960 -0.000 0.000 0.296 828 G HA3 0.181 4.141 3.960 -0.000 0.000 0.296 828 G C -1.729 172.907 174.900 -0.441 0.000 1.685 828 G CA -0.743 43.934 45.100 -0.705 0.000 0.936 828 G HN 0.455 nan 8.290 nan 0.000 0.714 829 E N 0.866 121.061 120.200 -0.008 0.000 2.250 829 E HA 0.562 4.912 4.350 -0.000 0.000 0.265 829 E C -2.445 174.309 176.600 0.256 0.000 1.033 829 E CA -1.739 54.743 56.400 0.137 0.000 0.888 829 E CB 2.257 32.048 29.700 0.152 0.000 1.151 829 E HN 0.251 nan 8.360 nan 0.000 0.412 830 P HA 0.174 nan 4.420 nan 0.000 0.294 830 P C -1.131 176.246 177.300 0.129 0.000 1.294 830 P CA -0.414 62.792 63.100 0.178 0.000 0.827 830 P CB 1.146 32.924 31.700 0.130 0.000 0.992 831 A N 5.340 128.228 122.820 0.114 0.000 2.547 831 A HA 0.249 4.569 4.320 -0.000 0.000 0.233 831 A C -1.960 175.662 177.584 0.063 0.000 1.067 831 A CA -0.577 51.516 52.037 0.092 0.000 0.763 831 A CB -1.639 17.407 19.000 0.078 0.000 1.007 831 A HN 0.438 nan 8.150 nan 0.000 0.506 832 P HA 0.239 nan 4.420 nan 0.000 0.266 832 P C 1.221 178.531 177.300 0.016 0.000 1.193 832 P CA 1.721 64.841 63.100 0.034 0.000 0.770 832 P CB 0.525 32.252 31.700 0.045 0.000 0.836 833 G N 1.167 109.964 108.800 -0.004 0.000 2.812 833 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 833 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 833 G C 0.135 175.023 174.900 -0.019 0.000 1.275 833 G CA 0.083 45.176 45.100 -0.011 0.000 0.769 833 G HN 0.499 nan 8.290 nan 0.000 0.527 834 L N 1.503 122.722 121.223 -0.008 0.000 2.475 834 L HA 0.601 4.941 4.340 -0.000 0.000 0.250 834 L C 1.210 178.071 176.870 -0.015 0.000 1.224 834 L CA 0.153 54.985 54.840 -0.013 0.000 0.821 834 L CB 0.897 42.957 42.059 0.002 0.000 1.141 834 L HN 0.693 nan 8.230 nan 0.000 0.494 835 S N -1.861 113.827 115.700 -0.019 0.000 2.671 835 S HA 0.321 4.791 4.470 -0.000 0.000 0.299 835 S C 0.659 175.259 174.600 0.000 0.000 1.116 835 S CA -0.365 57.825 58.200 -0.017 0.000 0.912 835 S CB 1.674 64.849 63.200 -0.041 0.000 1.130 835 S HN 0.528 nan 8.310 nan 0.000 0.501 836 S N 1.221 116.932 115.700 0.017 0.000 2.381 836 S HA -0.120 4.350 4.470 -0.000 0.000 0.230 836 S C 1.992 176.569 174.600 -0.038 0.000 1.052 836 S CA 1.890 60.105 58.200 0.024 0.000 1.068 836 S CB -1.417 61.804 63.200 0.034 0.000 0.918 836 S HN 1.030 nan 8.310 nan 0.000 0.448 837 G N 2.112 110.878 108.800 -0.057 0.000 2.433 837 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 837 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 837 G C 1.034 175.890 174.900 -0.073 0.000 1.186 837 G CA 1.131 46.179 45.100 -0.088 0.000 0.779 837 G HN 0.394 nan 8.290 nan 0.000 0.543 838 D N 1.008 121.375 120.400 -0.056 0.000 2.172 838 D HA -0.122 4.518 4.640 -0.000 0.000 0.196 838 D C 2.756 179.034 176.300 -0.038 0.000 0.999 838 D CA 1.391 55.364 54.000 -0.045 0.000 0.856 838 D CB -0.437 40.341 40.800 -0.036 0.000 0.934 838 D HN 0.325 nan 8.370 nan 0.000 0.453 839 A N 0.617 123.419 122.820 -0.029 0.000 1.855 839 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 839 A C 2.258 179.778 177.584 -0.107 0.000 1.191 839 A CA 1.349 53.365 52.037 -0.035 0.000 0.613 839 A CB -0.606 18.420 19.000 0.043 0.000 0.829 839 A HN 0.158 nan 8.150 nan 0.000 0.442 840 M N -0.186 119.342 119.600 -0.120 0.000 2.435 840 M HA -0.139 4.341 4.480 -0.000 0.000 0.262 840 M C 2.313 178.626 176.300 0.021 0.000 1.065 840 M CA 1.028 56.275 55.300 -0.089 0.000 1.076 840 M CB -0.456 31.924 32.600 -0.368 0.000 1.403 840 M HN 0.525 nan 8.290 nan 0.000 0.454 841 A N 0.715 123.517 122.820 -0.030 0.000 1.855 841 A HA -0.000 4.320 4.320 -0.000 0.000 0.215 841 A C 2.434 180.005 177.584 -0.021 0.000 1.191 841 A CA 1.777 53.806 52.037 -0.014 0.000 0.613 841 A CB -0.951 18.029 19.000 -0.034 0.000 0.829 841 A HN 0.454 nan 8.150 nan 0.000 0.442 842 A N -0.411 122.382 122.820 -0.045 0.000 1.851 842 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 842 A C 2.234 179.760 177.584 -0.097 0.000 1.195 842 A CA 2.050 54.048 52.037 -0.065 0.000 0.622 842 A CB -1.276 17.691 19.000 -0.055 0.000 0.831 842 A HN 0.469 nan 8.150 nan 0.000 0.444 843 V N 0.264 120.118 119.914 -0.101 0.000 2.278 843 V HA -0.358 3.762 4.120 -0.000 0.000 0.251 843 V C 2.405 178.417 176.094 -0.137 0.000 1.062 843 V CA 2.518 64.751 62.300 -0.111 0.000 1.038 843 V CB -0.984 30.795 31.823 -0.072 0.000 0.646 843 V HN 0.661 nan 8.190 nan 0.000 0.447 844 E N -0.685 119.501 120.200 -0.024 0.000 2.219 844 E HA -0.258 4.092 4.350 -0.000 0.000 0.198 844 E C 2.186 178.702 176.600 -0.140 0.000 0.998 844 E CA 1.508 57.882 56.400 -0.044 0.000 0.818 844 E CB -0.057 29.707 29.700 0.106 0.000 0.741 844 E HN 0.730 nan 8.360 nan 0.000 0.477 845 E N 0.302 120.422 120.200 -0.133 0.000 2.099 845 E HA -0.031 4.319 4.350 -0.000 0.000 0.191 845 E C 2.040 178.520 176.600 -0.200 0.000 0.962 845 E CA 0.444 56.761 56.400 -0.137 0.000 0.826 845 E CB -0.056 29.585 29.700 -0.097 0.000 0.788 845 E HN 0.355 nan 8.360 nan 0.000 0.461 846 I N -0.875 119.536 120.570 -0.264 0.000 3.616 846 I HA 0.020 4.190 4.170 -0.000 0.000 0.306 846 I C 1.148 176.964 176.117 -0.503 0.000 1.232 846 I CA 0.234 61.312 61.300 -0.370 0.000 1.182 846 I CB 0.157 37.889 38.000 -0.446 0.000 1.007 846 I HN -0.167 nan 8.210 nan 0.000 0.479 847 V N 1.022 120.699 119.914 -0.395 0.000 3.431 847 V HA 0.037 4.157 4.120 -0.000 0.000 0.253 847 V C 2.260 178.199 176.094 -0.258 0.000 1.184 847 V CA 0.860 62.932 62.300 -0.379 0.000 1.104 847 V CB -0.094 31.357 31.823 -0.619 0.000 0.799 847 V HN 0.423 nan 8.190 nan 0.000 0.462 848 K N 0.276 120.549 120.400 -0.212 0.000 2.217 848 K HA -0.067 4.253 4.320 -0.000 0.000 0.202 848 K C 1.348 177.884 176.600 -0.107 0.000 1.051 848 K CA 0.792 57.000 56.287 -0.132 0.000 0.952 848 K CB -0.064 32.374 32.500 -0.103 0.000 0.736 848 K HN 0.500 nan 8.250 nan 0.000 0.453 849 Q N 1.080 120.800 119.800 -0.133 0.000 2.283 849 Q HA 0.112 4.452 4.340 -0.000 0.000 0.223 849 Q C -0.469 175.480 176.000 -0.084 0.000 0.918 849 Q CA 0.221 55.960 55.803 -0.105 0.000 0.952 849 Q CB -0.221 28.442 28.738 -0.125 0.000 1.030 849 Q HN 0.247 nan 8.270 nan 0.000 0.452 850 L N 0.408 121.590 121.223 -0.068 0.000 2.341 850 L HA 0.508 4.848 4.340 -0.000 0.000 0.267 850 L C -2.199 174.662 176.870 -0.015 0.000 1.009 850 L CA -2.682 52.140 54.840 -0.029 0.000 0.819 850 L CB 1.224 43.277 42.059 -0.010 0.000 1.323 850 L HN -0.074 nan 8.230 nan 0.000 0.425 851 P HA -0.049 nan 4.420 nan 0.000 0.264 851 P C -0.953 176.351 177.300 0.006 0.000 1.179 851 P CA 0.078 63.179 63.100 0.002 0.000 0.763 851 P CB 0.231 31.935 31.700 0.007 0.000 0.806 852 K N 2.562 122.965 120.400 0.005 0.000 2.054 852 K HA 0.302 4.622 4.320 -0.000 0.000 0.242 852 K C 1.002 177.612 176.600 0.016 0.000 1.157 852 K CA 0.420 56.713 56.287 0.009 0.000 1.079 852 K CB -0.705 31.799 32.500 0.006 0.000 1.331 852 K HN 0.797 nan 8.250 nan 0.000 0.317 853 G N 0.669 109.483 108.800 0.023 0.000 4.080 853 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.219 853 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.219 853 G C -0.225 174.698 174.900 0.038 0.000 0.843 853 G CA -0.612 44.505 45.100 0.028 0.000 0.856 853 G HN 0.263 nan 8.290 nan 0.000 0.616 854 V N 2.897 122.835 119.914 0.041 0.000 2.247 854 V HA 0.647 4.767 4.120 -0.000 0.000 0.262 854 V C 1.216 177.356 176.094 0.078 0.000 1.096 854 V CA 0.076 62.410 62.300 0.056 0.000 0.895 854 V CB 0.296 32.149 31.823 0.051 0.000 1.141 854 V HN 0.435 nan 8.190 nan 0.000 0.478 855 G N 3.200 112.059 108.800 0.099 0.000 2.508 855 G HA2 0.587 4.547 3.960 -0.000 0.000 0.278 855 G HA3 0.587 4.547 3.960 -0.000 0.000 0.278 855 G C -0.778 174.261 174.900 0.232 0.000 1.389 855 G CA -0.343 44.851 45.100 0.157 0.000 1.050 855 G HN 0.773 nan 8.290 nan 0.000 0.522 856 Y N -2.410 117.867 120.300 -0.039 0.000 2.670 856 Y HA 0.685 5.235 4.550 0.000 0.000 0.334 856 Y C -0.598 175.211 175.900 -0.152 0.000 1.185 856 Y CA -0.720 57.316 58.100 -0.105 0.000 1.053 856 Y CB 1.562 39.914 38.460 -0.180 0.000 1.298 856 Y HN 1.026 nan 8.280 nan 0.000 0.459 857 S N -0.183 115.164 115.700 -0.588 0.000 2.543 857 S HA 0.461 4.931 4.470 -0.000 0.000 0.274 857 S C -1.931 172.272 174.600 -0.661 0.000 1.149 857 S CA -0.945 56.854 58.200 -0.668 0.000 0.866 857 S CB 0.498 63.541 63.200 -0.262 0.000 1.111 857 S HN 0.815 nan 8.310 nan 0.000 0.457 858 W N 1.331 122.406 121.300 -0.375 0.000 2.237 858 W HA 0.661 5.321 4.660 -0.000 0.000 0.335 858 W C 0.817 177.102 176.519 -0.391 0.000 1.230 858 W CA 0.074 57.218 57.345 -0.334 0.000 1.253 858 W CB 1.449 30.802 29.460 -0.179 0.000 1.129 858 W HN 0.757 nan 8.180 nan 0.000 0.590 859 T N 0.283 114.684 114.554 -0.255 0.000 2.868 859 T HA 0.529 4.879 4.350 -0.000 0.000 0.306 859 T C 0.473 175.093 174.700 -0.132 0.000 1.224 859 T CA 0.349 62.200 62.100 -0.414 0.000 1.012 859 T CB 1.184 69.503 68.868 -0.915 0.000 1.221 859 T HN 0.920 nan 8.240 nan 0.000 0.499 860 G N 1.473 110.297 108.800 0.040 0.000 2.602 860 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.310 860 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.310 860 G C 0.952 175.871 174.900 0.033 0.000 1.183 860 G CA 0.748 45.896 45.100 0.080 0.000 0.979 860 G HN 0.821 nan 8.290 nan 0.000 0.545 861 L N 1.808 123.002 121.223 -0.048 0.000 2.376 861 L HA 0.183 4.523 4.340 -0.000 0.000 0.219 861 L C 3.049 179.794 176.870 -0.209 0.000 1.133 861 L CA 2.304 57.066 54.840 -0.131 0.000 0.816 861 L CB -0.157 41.850 42.059 -0.086 0.000 0.933 861 L HN 0.766 nan 8.230 nan 0.000 0.449 862 S N -1.940 113.697 115.700 -0.104 0.000 2.439 862 S HA -0.197 4.273 4.470 -0.000 0.000 0.224 862 S C 2.002 176.475 174.600 -0.212 0.000 1.029 862 S CA 0.324 58.412 58.200 -0.187 0.000 0.946 862 S CB -0.745 62.452 63.200 -0.006 0.000 0.797 862 S HN 0.530 nan 8.310 nan 0.000 0.504 863 Y N 2.220 122.440 120.300 -0.134 0.000 2.256 863 Y HA -0.086 4.464 4.550 0.000 0.000 0.288 863 Y C 2.342 178.141 175.900 -0.168 0.000 1.155 863 Y CA 2.000 60.057 58.100 -0.072 0.000 1.203 863 Y CB -0.252 38.262 38.460 0.090 0.000 0.980 863 Y HN 0.294 nan 8.280 nan 0.000 0.530 864 E N 0.361 120.490 120.200 -0.119 0.000 2.107 864 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 864 E C 2.114 178.352 176.600 -0.603 0.000 0.982 864 E CA 1.330 57.526 56.400 -0.342 0.000 0.809 864 E CB -0.133 29.247 29.700 -0.534 0.000 0.756 864 E HN 0.663 nan 8.360 nan 0.000 0.459 865 E N -0.065 119.738 120.200 -0.661 0.000 2.072 865 E HA -0.133 4.217 4.350 -0.000 0.000 0.190 865 E C 2.059 178.498 176.600 -0.269 0.000 0.982 865 E CA 0.543 56.680 56.400 -0.439 0.000 0.803 865 E CB 0.055 29.544 29.700 -0.351 0.000 0.755 865 E HN 0.058 nan 8.360 nan 0.000 0.453 866 R N 0.191 120.470 120.500 -0.369 0.000 2.127 866 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 866 R C 2.340 178.494 176.300 -0.243 0.000 1.134 866 R CA 0.709 56.615 56.100 -0.323 0.000 0.975 866 R CB -0.098 29.964 30.300 -0.396 0.000 0.865 866 R HN 0.274 nan 8.270 nan 0.000 0.447 867 L N 0.302 121.361 121.223 -0.272 0.000 1.961 867 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 867 L C 2.527 179.372 176.870 -0.042 0.000 1.072 867 L CA 2.317 57.057 54.840 -0.166 0.000 0.749 867 L CB -1.245 40.728 42.059 -0.142 0.000 0.889 867 L HN 0.287 nan 8.230 nan 0.000 0.432 868 S N -0.724 114.984 115.700 0.014 0.000 2.399 868 S HA -0.113 4.357 4.470 -0.000 0.000 0.231 868 S C 2.030 176.659 174.600 0.048 0.000 1.022 868 S CA 1.067 59.306 58.200 0.066 0.000 0.983 868 S CB -0.844 62.456 63.200 0.167 0.000 0.803 868 S HN 0.450 nan 8.310 nan 0.000 0.480 869 G N 1.778 110.594 108.800 0.028 0.000 2.421 869 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.216 869 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.216 869 G C 1.455 176.370 174.900 0.026 0.000 1.171 869 G CA 0.982 46.100 45.100 0.030 0.000 0.775 869 G HN 0.897 nan 8.290 nan 0.000 0.543 870 S N -0.576 115.122 115.700 -0.003 0.000 2.768 870 S HA 0.308 4.778 4.470 -0.000 0.000 0.246 870 S C 1.278 175.901 174.600 0.039 0.000 1.006 870 S CA 0.162 58.368 58.200 0.009 0.000 1.075 870 S CB 0.333 63.522 63.200 -0.019 0.000 0.786 870 S HN 0.541 nan 8.310 nan 0.000 0.468 871 Q N -0.563 119.257 119.800 0.033 0.000 2.445 871 Q HA 0.339 4.679 4.340 -0.000 0.000 0.257 871 Q C 2.257 178.194 176.000 -0.105 0.000 0.806 871 Q CA 0.488 56.321 55.803 0.051 0.000 0.987 871 Q CB -0.232 28.555 28.738 0.082 0.000 1.248 871 Q HN 0.587 nan 8.270 nan 0.000 0.542 872 A N 2.525 125.248 122.820 -0.161 0.000 1.909 872 A HA -0.229 4.091 4.320 -0.000 0.000 0.221 872 A C -0.705 176.651 177.584 -0.380 0.000 1.223 872 A CA 2.161 53.960 52.037 -0.397 0.000 0.658 872 A CB -1.670 17.317 19.000 -0.022 0.000 0.831 872 A HN 0.226 nan 8.150 nan 0.000 0.462 873 P HA -0.172 nan 4.420 nan 0.000 0.212 873 P C 1.896 179.204 177.300 0.014 0.000 1.178 873 P CA 2.195 65.323 63.100 0.047 0.000 0.915 873 P CB -0.315 31.412 31.700 0.044 0.000 0.788 874 A N -0.217 122.631 122.820 0.047 0.000 1.903 874 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 874 A C 2.256 179.930 177.584 0.150 0.000 1.191 874 A CA 1.738 53.857 52.037 0.136 0.000 0.638 874 A CB -1.802 17.351 19.000 0.255 0.000 0.823 874 A HN 0.122 nan 8.150 nan 0.000 0.451 875 L N -1.449 119.717 121.223 -0.095 0.000 1.934 875 L HA -0.296 4.044 4.340 -0.000 0.000 0.227 875 L C 2.649 179.357 176.870 -0.269 0.000 1.084 875 L CA 2.743 57.289 54.840 -0.490 0.000 0.790 875 L CB -0.993 40.452 42.059 -1.025 0.000 0.896 875 L HN 0.631 nan 8.230 nan 0.000 0.437 876 Y N -0.170 120.043 120.300 -0.145 0.000 2.102 876 Y HA -0.356 4.194 4.550 0.000 0.000 0.280 876 Y C 2.590 178.432 175.900 -0.097 0.000 1.178 876 Y CA 1.073 59.091 58.100 -0.137 0.000 1.146 876 Y CB -0.893 37.493 38.460 -0.124 0.000 0.968 876 Y HN 0.447 nan 8.280 nan 0.000 0.504 877 A N 1.075 123.944 122.820 0.081 0.000 1.849 877 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 877 A C 2.206 179.802 177.584 0.021 0.000 1.225 877 A CA 2.113 54.169 52.037 0.032 0.000 0.653 877 A CB -1.264 17.753 19.000 0.029 0.000 0.844 877 A HN 0.452 nan 8.150 nan 0.000 0.453 878 L N 0.371 121.620 121.223 0.043 0.000 2.089 878 L HA -0.266 4.074 4.340 -0.000 0.000 0.213 878 L C 2.904 179.783 176.870 0.015 0.000 1.079 878 L CA 2.071 56.934 54.840 0.037 0.000 0.758 878 L CB -1.062 41.044 42.059 0.079 0.000 0.891 878 L HN 0.657 nan 8.230 nan 0.000 0.433 879 S N -0.030 115.670 115.700 -0.001 0.000 2.371 879 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 879 S C 1.973 176.554 174.600 -0.032 0.000 1.029 879 S CA 0.735 58.910 58.200 -0.041 0.000 0.978 879 S CB -0.599 62.538 63.200 -0.105 0.000 0.833 879 S HN 0.306 nan 8.310 nan 0.000 0.466 880 L N 1.182 122.392 121.223 -0.022 0.000 1.989 880 L HA -0.074 4.266 4.340 -0.000 0.000 0.211 880 L C 2.720 179.604 176.870 0.023 0.000 1.071 880 L CA 1.206 56.032 54.840 -0.022 0.000 0.749 880 L CB -0.614 41.413 42.059 -0.053 0.000 0.890 880 L HN 0.309 nan 8.230 nan 0.000 0.431 881 L N -0.375 120.858 121.223 0.017 0.000 2.043 881 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 881 L C 2.517 179.457 176.870 0.115 0.000 1.075 881 L CA 1.751 56.628 54.840 0.062 0.000 0.752 881 L CB -0.239 41.839 42.059 0.030 0.000 0.891 881 L HN 0.104 nan 8.230 nan 0.000 0.432 882 V N -0.717 119.229 119.914 0.053 0.000 2.307 882 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 882 V C 2.609 178.728 176.094 0.042 0.000 1.045 882 V CA 1.436 63.756 62.300 0.034 0.000 1.024 882 V CB -0.082 31.736 31.823 -0.007 0.000 0.651 882 V HN 0.271 nan 8.190 nan 0.000 0.449 883 V N -0.485 119.452 119.914 0.037 0.000 2.392 883 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 883 V C 2.122 178.259 176.094 0.071 0.000 1.059 883 V CA 2.499 64.815 62.300 0.027 0.000 1.051 883 V CB -0.744 31.083 31.823 0.007 0.000 0.658 883 V HN 0.602 nan 8.190 nan 0.000 0.455 884 F N 0.424 120.364 119.950 -0.017 0.000 2.084 884 F HA -0.154 4.373 4.527 -0.000 0.000 0.296 884 F C 2.061 177.876 175.800 0.026 0.000 1.111 884 F CA 1.745 59.757 58.000 0.021 0.000 1.224 884 F CB -0.312 38.715 39.000 0.044 0.000 0.991 884 F HN 0.025 nan 8.300 nan 0.000 0.471 885 L N -0.632 120.637 121.223 0.077 0.000 1.989 885 L HA -0.319 4.021 4.340 -0.000 0.000 0.211 885 L C 2.691 179.460 176.870 -0.168 0.000 1.071 885 L CA 1.599 56.406 54.840 -0.055 0.000 0.749 885 L CB -1.360 40.734 42.059 0.058 0.000 0.890 885 L HN 0.277 nan 8.230 nan 0.000 0.431 886 C N -0.203 119.028 119.300 -0.115 0.000 2.429 886 C HA -0.144 4.316 4.460 -0.000 0.000 0.277 886 C C 2.835 177.686 174.990 -0.232 0.000 1.262 886 C CA 0.483 59.411 59.018 -0.151 0.000 1.733 886 C CB -0.772 26.905 27.740 -0.105 0.000 2.010 886 C HN 0.427 nan 8.230 nan 0.000 0.483 887 L N 0.608 121.703 121.223 -0.214 0.000 2.083 887 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 887 L C 2.832 179.534 176.870 -0.281 0.000 1.083 887 L CA 1.532 56.237 54.840 -0.225 0.000 0.752 887 L CB -0.728 41.283 42.059 -0.080 0.000 0.899 887 L HN 0.378 nan 8.230 nan 0.000 0.433 888 A N 0.072 122.653 122.820 -0.400 0.000 1.845 888 A HA -0.200 4.120 4.320 -0.000 0.000 0.215 888 A C 2.524 179.840 177.584 -0.446 0.000 1.195 888 A CA 1.819 53.527 52.037 -0.548 0.000 0.616 888 A CB -0.877 17.629 19.000 -0.825 0.000 0.832 888 A HN 0.398 nan 8.150 nan 0.000 0.443 889 A N -0.559 122.041 122.820 -0.367 0.000 1.908 889 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 889 A C 2.242 179.669 177.584 -0.261 0.000 1.181 889 A CA 1.613 53.484 52.037 -0.277 0.000 0.627 889 A CB -0.660 18.218 19.000 -0.204 0.000 0.818 889 A HN 0.534 nan 8.150 nan 0.000 0.445 890 L N -1.826 119.196 121.223 -0.336 0.000 2.017 890 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 890 L C 1.408 178.043 176.870 -0.393 0.000 1.073 890 L CA 1.698 56.269 54.840 -0.450 0.000 0.745 890 L CB -0.243 41.369 42.059 -0.746 0.000 0.894 890 L HN 0.609 nan 8.230 nan 0.000 0.432 891 Y N -0.565 119.654 120.300 -0.134 0.000 2.708 891 Y HA 0.121 4.671 4.550 0.000 0.000 0.287 891 Y C 0.374 176.192 175.900 -0.137 0.000 1.145 891 Y CA -0.702 57.333 58.100 -0.109 0.000 1.249 891 Y CB 0.158 38.567 38.460 -0.085 0.000 1.152 891 Y HN 0.199 nan 8.280 nan 0.000 0.532 892 E N 1.741 121.896 120.200 -0.075 0.000 2.038 892 E HA -0.267 4.083 4.350 -0.000 0.000 0.181 892 E C -0.606 175.897 176.600 -0.161 0.000 1.383 892 E CA 0.868 57.183 56.400 -0.140 0.000 0.677 892 E CB -0.994 28.663 29.700 -0.071 0.000 1.051 892 E HN 0.334 nan 8.360 nan 0.000 0.317 893 S N -0.107 115.430 115.700 -0.271 0.000 2.570 893 S HA 0.629 5.099 4.470 -0.000 0.000 0.270 893 S C -0.466 173.897 174.600 -0.394 0.000 1.149 893 S CA -0.343 57.730 58.200 -0.212 0.000 0.837 893 S CB 0.498 63.690 63.200 -0.013 0.000 1.124 893 S HN 0.334 nan 8.310 nan 0.000 0.465 894 W N 1.214 122.525 121.300 0.017 0.000 2.975 894 W HA 0.240 4.900 4.660 0.000 0.000 0.316 894 W C 2.150 178.739 176.519 0.116 0.000 1.131 894 W CA 0.072 57.440 57.345 0.039 0.000 1.624 894 W CB 0.221 29.710 29.460 0.050 0.000 1.038 894 W HN 0.642 nan 8.180 nan 0.000 0.571 895 S N 1.478 117.337 115.700 0.266 0.000 2.335 895 S HA -0.176 4.294 4.470 -0.000 0.000 0.217 895 S C 1.854 176.618 174.600 0.273 0.000 1.032 895 S CA 1.531 59.864 58.200 0.221 0.000 0.985 895 S CB -0.774 62.499 63.200 0.121 0.000 0.896 895 S HN 0.396 nan 8.310 nan 0.000 0.445 896 I N 0.497 121.203 120.570 0.228 0.000 2.617 896 I HA 0.096 4.266 4.170 -0.000 0.000 0.256 896 I C -1.441 174.792 176.117 0.194 0.000 1.167 896 I CA 0.320 61.753 61.300 0.222 0.000 1.469 896 I CB -1.605 36.475 38.000 0.134 0.000 1.098 896 I HN 0.119 nan 8.210 nan 0.000 0.436 897 P HA -0.180 nan 4.420 nan 0.000 0.213 897 P C 1.814 179.323 177.300 0.347 0.000 1.170 897 P CA 1.656 64.829 63.100 0.121 0.000 0.898 897 P CB -0.230 31.310 31.700 -0.266 0.000 0.787 898 F N 0.612 120.782 119.950 0.366 0.000 2.250 898 F HA -0.197 4.330 4.527 -0.000 0.000 0.301 898 F C 2.248 178.156 175.800 0.180 0.000 1.077 898 F CA 1.865 60.087 58.000 0.370 0.000 1.348 898 F CB -0.442 38.764 39.000 0.343 0.000 1.040 898 F HN -0.030 nan 8.300 nan 0.000 0.509 899 S N -1.698 114.192 115.700 0.317 0.000 2.425 899 S HA -0.074 4.396 4.470 -0.000 0.000 0.225 899 S C 2.027 176.646 174.600 0.032 0.000 1.024 899 S CA 0.906 59.224 58.200 0.198 0.000 0.951 899 S CB -0.834 62.553 63.200 0.311 0.000 0.796 899 S HN 0.123 nan 8.310 nan 0.000 0.498 900 V N 2.681 122.637 119.914 0.070 0.000 2.261 900 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 900 V C 2.771 178.825 176.094 -0.067 0.000 1.047 900 V CA 2.016 64.325 62.300 0.015 0.000 1.015 900 V CB -0.722 31.136 31.823 0.058 0.000 0.642 900 V HN 0.459 nan 8.190 nan 0.000 0.446 901 M N -0.562 118.998 119.600 -0.067 0.000 2.089 901 M HA -0.242 4.238 4.480 -0.000 0.000 0.257 901 M C 2.227 178.390 176.300 -0.228 0.000 1.071 901 M CA 2.049 57.257 55.300 -0.153 0.000 1.096 901 M CB -1.324 31.120 32.600 -0.260 0.000 1.330 901 M HN 0.293 nan 8.290 nan 0.000 0.403 902 L N -0.793 120.224 121.223 -0.344 0.000 2.349 902 L HA -0.161 4.179 4.340 -0.000 0.000 0.220 902 L C 2.430 179.016 176.870 -0.473 0.000 1.130 902 L CA 0.342 54.882 54.840 -0.499 0.000 0.791 902 L CB -0.709 40.727 42.059 -1.038 0.000 0.918 902 L HN 0.091 nan 8.230 nan 0.000 0.444 903 V N -1.105 118.603 119.914 -0.343 0.000 2.649 903 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 903 V C 2.364 178.416 176.094 -0.071 0.000 1.054 903 V CA 0.818 63.030 62.300 -0.146 0.000 1.073 903 V CB 0.506 32.292 31.823 -0.061 0.000 0.699 903 V HN 0.155 nan 8.190 nan 0.000 0.463 904 V N 0.863 120.719 119.914 -0.097 0.000 2.222 904 V HA -0.250 3.870 4.120 -0.000 0.000 0.252 904 V C 0.104 176.146 176.094 -0.087 0.000 1.060 904 V CA 2.947 65.191 62.300 -0.094 0.000 1.027 904 V CB -1.981 29.771 31.823 -0.117 0.000 0.644 904 V HN 0.506 nan 8.190 nan 0.000 0.448 905 P HA -0.152 nan 4.420 nan 0.000 0.220 905 P C 1.806 179.054 177.300 -0.088 0.000 1.144 905 P CA 1.360 64.397 63.100 -0.106 0.000 0.800 905 P CB -0.098 31.512 31.700 -0.150 0.000 0.772 906 L N -1.203 119.989 121.223 -0.052 0.000 1.994 906 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 906 L C 2.604 179.458 176.870 -0.027 0.000 1.071 906 L CA 2.089 56.904 54.840 -0.042 0.000 0.745 906 L CB -1.635 40.428 42.059 0.006 0.000 0.892 906 L HN 0.079 nan 8.230 nan 0.000 0.431 907 G N -1.040 107.745 108.800 -0.026 0.000 2.509 907 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.218 907 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.218 907 G C 1.522 176.404 174.900 -0.031 0.000 1.124 907 G CA 0.553 45.640 45.100 -0.022 0.000 0.776 907 G HN 0.199 nan 8.290 nan 0.000 0.547 908 V N 1.992 121.877 119.914 -0.048 0.000 2.346 908 V HA -0.113 4.007 4.120 -0.000 0.000 0.244 908 V C 2.757 178.857 176.094 0.010 0.000 1.037 908 V CA 1.523 63.797 62.300 -0.044 0.000 1.029 908 V CB -0.430 31.351 31.823 -0.070 0.000 0.663 908 V HN 0.605 nan 8.190 nan 0.000 0.454 909 I N -0.049 120.525 120.570 0.007 0.000 2.454 909 I HA -0.043 4.127 4.170 -0.000 0.000 0.254 909 I C 2.217 178.362 176.117 0.047 0.000 1.156 909 I CA 1.908 63.228 61.300 0.034 0.000 1.433 909 I CB -1.008 36.997 38.000 0.008 0.000 1.082 909 I HN 0.219 nan 8.210 nan 0.000 0.432 910 G N 0.617 109.439 108.800 0.036 0.000 2.511 910 G HA2 0.070 4.030 3.960 -0.000 0.000 0.217 910 G HA3 0.070 4.030 3.960 -0.000 0.000 0.217 910 G C 1.700 176.639 174.900 0.065 0.000 1.133 910 G CA 0.590 45.719 45.100 0.050 0.000 0.792 910 G HN 0.575 nan 8.290 nan 0.000 0.539 911 A N 0.114 122.972 122.820 0.064 0.000 2.081 911 A HA 0.369 4.689 4.320 -0.000 0.000 0.214 911 A C 2.274 179.984 177.584 0.210 0.000 1.158 911 A CA 0.387 52.481 52.037 0.095 0.000 0.724 911 A CB -0.098 18.900 19.000 -0.003 0.000 0.826 911 A HN 0.318 nan 8.150 nan 0.000 0.463 912 L N -0.897 120.430 121.223 0.174 0.000 2.084 912 L HA -0.036 4.304 4.340 -0.000 0.000 0.202 912 L C 2.451 179.368 176.870 0.078 0.000 1.074 912 L CA 0.744 55.681 54.840 0.162 0.000 0.757 912 L CB -0.820 41.319 42.059 0.133 0.000 0.918 912 L HN 0.301 nan 8.230 nan 0.000 0.444 913 L N 0.422 121.689 121.223 0.073 0.000 2.013 913 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 913 L C 2.928 179.823 176.870 0.041 0.000 1.073 913 L CA 1.560 56.432 54.840 0.053 0.000 0.753 913 L CB -0.747 41.345 42.059 0.054 0.000 0.890 913 L HN 0.267 nan 8.230 nan 0.000 0.432 914 A N -0.885 121.968 122.820 0.055 0.000 1.902 914 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 914 A C 2.365 179.967 177.584 0.030 0.000 1.181 914 A CA 2.362 54.426 52.037 0.044 0.000 0.623 914 A CB -0.992 18.042 19.000 0.057 0.000 0.818 914 A HN 0.402 nan 8.150 nan 0.000 0.443 915 T N 0.287 114.870 114.554 0.049 0.000 2.684 915 T HA -0.144 4.205 4.350 -0.000 0.000 0.267 915 T C 2.293 176.954 174.700 -0.066 0.000 1.036 915 T CA 1.944 64.038 62.100 -0.010 0.000 1.148 915 T CB -0.358 68.467 68.868 -0.072 0.000 0.863 915 T HN 0.540 nan 8.240 nan 0.000 0.436 916 S N 1.194 116.857 115.700 -0.062 0.000 2.356 916 S HA 0.010 4.480 4.470 -0.000 0.000 0.223 916 S C 2.112 176.693 174.600 -0.031 0.000 1.032 916 S CA 1.068 59.231 58.200 -0.060 0.000 1.005 916 S CB -0.407 62.769 63.200 -0.040 0.000 0.867 916 S HN 0.403 nan 8.310 nan 0.000 0.449 917 M N 0.457 120.051 119.600 -0.011 0.000 2.260 917 M HA -0.088 4.392 4.480 -0.000 0.000 0.261 917 M C 2.078 178.370 176.300 -0.013 0.000 1.066 917 M CA 1.217 56.515 55.300 -0.004 0.000 1.082 917 M CB -0.192 32.412 32.600 0.007 0.000 1.388 917 M HN 0.123 nan 8.290 nan 0.000 0.419 918 R N -0.122 120.365 120.500 -0.023 0.000 2.507 918 R HA 0.158 4.498 4.340 -0.000 0.000 0.298 918 R C 0.432 176.712 176.300 -0.034 0.000 0.999 918 R CA 0.263 56.346 56.100 -0.028 0.000 1.082 918 R CB 0.254 30.532 30.300 -0.037 0.000 1.246 918 R HN 0.410 nan 8.270 nan 0.000 0.553 919 G N 2.099 110.874 108.800 -0.042 0.000 2.395 919 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.300 919 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.300 919 G C 0.038 174.898 174.900 -0.066 0.000 0.998 919 G CA 0.557 45.625 45.100 -0.053 0.000 1.046 919 G HN 0.246 nan 8.290 nan 0.000 0.513 920 L N -0.617 120.555 121.223 -0.085 0.000 2.891 920 L HA 0.761 5.101 4.340 -0.000 0.000 0.216 920 L C 1.206 177.976 176.870 -0.166 0.000 1.209 920 L CA -0.129 54.653 54.840 -0.097 0.000 0.957 920 L CB 0.887 42.901 42.059 -0.074 0.000 1.876 920 L HN 0.508 nan 8.230 nan 0.000 0.532 921 S N -1.560 114.023 115.700 -0.195 0.000 2.651 921 S HA 0.305 4.775 4.470 -0.000 0.000 0.279 921 S C -0.816 173.548 174.600 -0.394 0.000 1.148 921 S CA -0.865 57.179 58.200 -0.261 0.000 0.837 921 S CB 1.594 64.709 63.200 -0.140 0.000 1.138 921 S HN 0.465 nan 8.310 nan 0.000 0.478 922 N N 2.308 120.752 118.700 -0.427 0.000 2.807 922 N HA 0.260 5.000 4.740 -0.000 0.000 0.259 922 N C -1.095 174.413 175.510 -0.004 0.000 1.149 922 N CA -0.234 52.587 53.050 -0.382 0.000 1.042 922 N CB -0.559 37.685 38.487 -0.405 0.000 1.367 922 N HN 0.748 nan 8.380 nan 0.000 0.516 923 D N -0.739 119.732 120.400 0.118 0.000 2.621 923 D HA 0.114 4.754 4.640 -0.000 0.000 0.255 923 D C 1.623 178.019 176.300 0.161 0.000 1.122 923 D CA -0.706 53.375 54.000 0.135 0.000 1.096 923 D CB 0.097 40.968 40.800 0.118 0.000 1.282 923 D HN -0.018 nan 8.370 nan 0.000 0.619 924 V N -2.225 117.690 119.914 0.002 0.000 2.469 924 V HA -0.182 3.938 4.120 -0.000 0.000 0.251 924 V C 1.891 177.933 176.094 -0.087 0.000 1.064 924 V CA 1.325 63.555 62.300 -0.117 0.000 1.066 924 V CB -1.241 30.318 31.823 -0.441 0.000 0.667 924 V HN 0.460 nan 8.190 nan 0.000 0.461 925 F N -0.311 119.665 119.950 0.044 0.000 2.293 925 F HA 0.134 4.661 4.527 -0.000 0.000 0.297 925 F C 2.086 177.932 175.800 0.076 0.000 1.089 925 F CA 1.690 59.728 58.000 0.065 0.000 1.377 925 F CB -0.551 38.509 39.000 0.100 0.000 1.051 925 F HN 0.220 nan 8.300 nan 0.000 0.511 926 F N 1.197 121.235 119.950 0.146 0.000 2.234 926 F HA -0.180 4.347 4.527 0.000 0.000 0.299 926 F C 2.197 178.031 175.800 0.057 0.000 1.087 926 F CA 1.506 59.546 58.000 0.067 0.000 1.340 926 F CB -0.516 38.496 39.000 0.020 0.000 1.031 926 F HN -0.019 nan 8.300 nan 0.000 0.500 927 Q N -0.379 119.453 119.800 0.053 0.000 2.020 927 Q HA -0.127 4.213 4.340 -0.000 0.000 0.198 927 Q C 2.290 178.225 176.000 -0.109 0.000 0.974 927 Q CA 1.791 57.600 55.803 0.010 0.000 0.829 927 Q CB -0.564 28.240 28.738 0.110 0.000 0.894 927 Q HN 0.296 nan 8.270 nan 0.000 0.433 928 V N 1.052 120.885 119.914 -0.134 0.000 2.546 928 V HA -0.259 3.861 4.120 -0.000 0.000 0.254 928 V C 2.103 178.079 176.094 -0.197 0.000 1.076 928 V CA 1.946 64.082 62.300 -0.273 0.000 1.087 928 V CB -1.253 30.212 31.823 -0.596 0.000 0.674 928 V HN 0.542 nan 8.190 nan 0.000 0.470 929 G N -0.504 108.196 108.800 -0.167 0.000 2.424 929 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.214 929 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.214 929 G C 1.556 176.316 174.900 -0.234 0.000 1.202 929 G CA 0.679 45.687 45.100 -0.152 0.000 0.793 929 G HN 0.423 nan 8.290 nan 0.000 0.534 930 L N 0.158 121.142 121.223 -0.399 0.000 2.021 930 L HA -0.139 4.201 4.340 -0.000 0.000 0.215 930 L C 2.995 179.723 176.870 -0.237 0.000 1.074 930 L CA 0.863 55.480 54.840 -0.371 0.000 0.760 930 L CB -0.411 41.379 42.059 -0.448 0.000 0.889 930 L HN 0.218 nan 8.230 nan 0.000 0.433 931 L N -0.826 120.278 121.223 -0.198 0.000 1.955 931 L HA -0.293 4.047 4.340 -0.000 0.000 0.213 931 L C 2.726 179.386 176.870 -0.352 0.000 1.072 931 L CA 2.363 57.022 54.840 -0.300 0.000 0.755 931 L CB -1.116 40.669 42.059 -0.456 0.000 0.888 931 L HN 0.366 nan 8.230 nan 0.000 0.432 932 T N -1.555 112.850 114.554 -0.248 0.000 2.897 932 T HA -0.194 4.156 4.350 -0.000 0.000 0.271 932 T C 1.713 176.361 174.700 -0.087 0.000 1.084 932 T CA 2.071 64.149 62.100 -0.037 0.000 1.123 932 T CB -0.161 68.872 68.868 0.276 0.000 0.865 932 T HN 0.339 nan 8.240 nan 0.000 0.496 933 T N 2.478 116.962 114.554 -0.117 0.000 2.668 933 T HA 0.000 4.350 4.350 -0.000 0.000 0.262 933 T C 1.845 176.465 174.700 -0.133 0.000 1.045 933 T CA 1.591 63.622 62.100 -0.114 0.000 1.152 933 T CB -0.500 68.296 68.868 -0.120 0.000 0.864 933 T HN 0.724 nan 8.240 nan 0.000 0.419 934 I N 0.214 120.689 120.570 -0.159 0.000 2.399 934 I HA -0.073 4.097 4.170 -0.000 0.000 0.254 934 I C 2.336 178.374 176.117 -0.131 0.000 1.146 934 I CA 1.786 63.000 61.300 -0.144 0.000 1.412 934 I CB -0.713 37.195 38.000 -0.153 0.000 1.076 934 I HN 0.245 nan 8.210 nan 0.000 0.432 935 G N 1.707 110.414 108.800 -0.155 0.000 2.394 935 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.214 935 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.214 935 G C 1.639 176.474 174.900 -0.108 0.000 1.176 935 G CA 0.708 45.736 45.100 -0.119 0.000 0.786 935 G HN 0.428 nan 8.290 nan 0.000 0.533 936 L N 1.589 122.725 121.223 -0.146 0.000 2.042 936 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 936 L C 3.376 180.172 176.870 -0.124 0.000 1.076 936 L CA 1.636 56.360 54.840 -0.193 0.000 0.749 936 L CB -0.471 41.431 42.059 -0.262 0.000 0.893 936 L HN 0.404 nan 8.230 nan 0.000 0.432 937 S N 0.146 115.790 115.700 -0.093 0.000 2.348 937 S HA -0.176 4.294 4.470 -0.000 0.000 0.221 937 S C 2.229 176.802 174.600 -0.044 0.000 1.033 937 S CA 0.821 58.986 58.200 -0.058 0.000 1.010 937 S CB -0.767 62.401 63.200 -0.053 0.000 0.891 937 S HN 0.361 nan 8.310 nan 0.000 0.442 938 A N 2.908 125.699 122.820 -0.049 0.000 1.948 938 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 938 A C 2.187 179.759 177.584 -0.021 0.000 1.177 938 A CA 1.949 53.969 52.037 -0.027 0.000 0.636 938 A CB -0.811 18.175 19.000 -0.024 0.000 0.815 938 A HN 0.468 nan 8.150 nan 0.000 0.449 939 K N -0.033 120.341 120.400 -0.042 0.000 2.001 939 K HA -0.244 4.076 4.320 -0.000 0.000 0.214 939 K C 1.759 178.332 176.600 -0.045 0.000 1.050 939 K CA 2.125 58.385 56.287 -0.046 0.000 0.934 939 K CB -0.530 31.921 32.500 -0.081 0.000 0.718 939 K HN 0.440 nan 8.250 nan 0.000 0.443 940 N N 0.699 119.368 118.700 -0.051 0.000 2.061 940 N HA -0.161 4.579 4.740 -0.000 0.000 0.193 940 N C 1.739 177.234 175.510 -0.024 0.000 1.030 940 N CA 1.712 54.736 53.050 -0.043 0.000 0.856 940 N CB -0.599 37.868 38.487 -0.033 0.000 1.023 940 N HN 0.350 nan 8.380 nan 0.000 0.424 941 A N 1.551 124.368 122.820 -0.005 0.000 1.873 941 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 941 A C 2.244 179.823 177.584 -0.009 0.000 1.193 941 A CA 1.754 53.799 52.037 0.013 0.000 0.629 941 A CB -0.945 18.067 19.000 0.020 0.000 0.826 941 A HN 0.514 nan 8.150 nan 0.000 0.447 942 I N -2.504 118.061 120.570 -0.008 0.000 2.676 942 I HA -0.099 4.071 4.170 -0.000 0.000 0.259 942 I C 2.017 178.097 176.117 -0.061 0.000 1.194 942 I CA 1.123 62.409 61.300 -0.023 0.000 1.473 942 I CB -0.240 37.798 38.000 0.063 0.000 1.096 942 I HN 0.266 nan 8.210 nan 0.000 0.443 943 L N 1.282 122.472 121.223 -0.054 0.000 2.079 943 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 943 L C 2.668 179.480 176.870 -0.095 0.000 1.081 943 L CA 2.073 56.863 54.840 -0.083 0.000 0.752 943 L CB -0.292 41.709 42.059 -0.097 0.000 0.896 943 L HN 0.542 nan 8.230 nan 0.000 0.433 944 I N -4.921 115.605 120.570 -0.074 0.000 2.927 944 I HA -0.044 4.126 4.170 -0.000 0.000 0.268 944 I C 2.202 178.249 176.117 -0.116 0.000 1.153 944 I CA 0.484 61.750 61.300 -0.056 0.000 1.459 944 I CB -0.062 37.923 38.000 -0.025 0.000 1.149 944 I HN -0.214 nan 8.210 nan 0.000 0.443 945 V N 2.845 122.653 119.914 -0.177 0.000 2.307 945 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 945 V C 2.734 178.560 176.094 -0.446 0.000 1.045 945 V CA 2.564 64.641 62.300 -0.372 0.000 1.024 945 V CB -0.796 30.903 31.823 -0.207 0.000 0.651 945 V HN 0.728 nan 8.190 nan 0.000 0.449 946 E N -0.483 119.518 120.200 -0.331 0.000 2.347 946 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 946 E C 1.843 178.318 176.600 -0.207 0.000 1.008 946 E CA 1.268 57.420 56.400 -0.412 0.000 0.852 946 E CB -0.515 28.755 29.700 -0.715 0.000 0.783 946 E HN 0.514 nan 8.360 nan 0.000 0.505 947 F N 1.122 120.909 119.950 -0.272 0.000 2.187 947 F HA 0.259 4.786 4.527 -0.000 0.000 0.295 947 F C 2.302 178.000 175.800 -0.170 0.000 1.091 947 F CA 1.003 58.895 58.000 -0.181 0.000 1.308 947 F CB -0.590 38.326 39.000 -0.139 0.000 1.030 947 F HN 0.147 nan 8.300 nan 0.000 0.487 948 A N 0.088 122.804 122.820 -0.173 0.000 1.908 948 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 948 A C 2.159 179.652 177.584 -0.150 0.000 1.181 948 A CA 2.035 53.935 52.037 -0.229 0.000 0.627 948 A CB -0.809 17.912 19.000 -0.464 0.000 0.818 948 A HN 0.345 nan 8.150 nan 0.000 0.445 949 K N 0.232 120.503 120.400 -0.215 0.000 2.063 949 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 949 K C 1.890 178.471 176.600 -0.031 0.000 1.048 949 K CA 2.077 58.352 56.287 -0.019 0.000 0.928 949 K CB -0.241 32.205 32.500 -0.091 0.000 0.713 949 K HN 0.648 nan 8.250 nan 0.000 0.442 950 E N -0.038 120.065 120.200 -0.161 0.000 2.046 950 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 950 E C 2.069 178.540 176.600 -0.214 0.000 0.982 950 E CA 1.277 57.559 56.400 -0.197 0.000 0.800 950 E CB -0.131 29.394 29.700 -0.292 0.000 0.756 950 E HN 0.281 nan 8.360 nan 0.000 0.449 951 L N 0.407 121.442 121.223 -0.313 0.000 2.131 951 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 951 L C 2.593 179.419 176.870 -0.073 0.000 1.092 951 L CA 1.136 55.835 54.840 -0.235 0.000 0.759 951 L CB -0.480 41.417 42.059 -0.269 0.000 0.903 951 L HN 0.221 nan 8.230 nan 0.000 0.435 952 H N 0.659 119.676 119.070 -0.088 0.000 2.353 952 H HA -0.151 4.405 4.556 -0.000 0.000 0.300 952 H C 1.911 177.215 175.328 -0.040 0.000 1.090 952 H CA 1.591 57.622 56.048 -0.028 0.000 1.327 952 H CB 0.144 29.931 29.762 0.041 0.000 1.383 952 H HN 0.280 nan 8.280 nan 0.000 0.508 953 E N -0.186 119.986 120.200 -0.046 0.000 2.515 953 E HA -0.108 4.242 4.350 -0.000 0.000 0.201 953 E C 0.614 177.143 176.600 -0.119 0.000 1.071 953 E CA 0.399 56.742 56.400 -0.095 0.000 0.880 953 E CB 0.166 29.847 29.700 -0.032 0.000 0.828 953 E HN 0.678 nan 8.360 nan 0.000 0.540 954 Q N -0.968 118.754 119.800 -0.129 0.000 2.135 954 Q HA 0.216 4.556 4.340 -0.000 0.000 0.231 954 Q C 0.667 176.599 176.000 -0.112 0.000 0.817 954 Q CA 0.160 55.896 55.803 -0.110 0.000 1.073 954 Q CB 1.579 30.253 28.738 -0.106 0.000 1.176 954 Q HN 0.310 nan 8.270 nan 0.000 0.478 955 G N 0.625 109.334 108.800 -0.151 0.000 2.238 955 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 955 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 955 G C 0.154 174.983 174.900 -0.118 0.000 0.996 955 G CA -0.582 44.439 45.100 -0.132 0.000 0.632 955 G HN 0.084 nan 8.290 nan 0.000 0.503 956 K N 1.357 121.699 120.400 -0.097 0.000 2.258 956 K HA 0.491 4.811 4.320 -0.000 0.000 0.264 956 K C 0.867 177.486 176.600 0.033 0.000 1.007 956 K CA 0.307 56.577 56.287 -0.029 0.000 0.941 956 K CB 0.965 33.464 32.500 -0.003 0.000 0.966 956 K HN 0.380 nan 8.250 nan 0.000 0.480 957 G N 1.757 110.603 108.800 0.077 0.000 2.420 957 G HA2 0.185 4.145 3.960 -0.000 0.000 0.284 957 G HA3 0.185 4.145 3.960 -0.000 0.000 0.284 957 G C 1.448 176.472 174.900 0.206 0.000 1.177 957 G CA -0.670 44.526 45.100 0.160 0.000 0.841 957 G HN 0.613 nan 8.290 nan 0.000 0.527 958 I N 1.467 122.143 120.570 0.177 0.000 2.181 958 I HA -0.212 3.958 4.170 -0.000 0.000 0.247 958 I C 1.989 178.135 176.117 0.047 0.000 1.081 958 I CA 1.845 63.139 61.300 -0.010 0.000 1.340 958 I CB -1.501 36.342 38.000 -0.262 0.000 1.036 958 I HN 0.221 nan 8.210 nan 0.000 0.417 959 V N 1.834 121.754 119.914 0.012 0.000 2.379 959 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 959 V C 2.734 178.830 176.094 0.003 0.000 1.044 959 V CA 2.043 64.338 62.300 -0.008 0.000 1.036 959 V CB -0.820 30.978 31.823 -0.042 0.000 0.664 959 V HN 0.436 nan 8.190 nan 0.000 0.453 960 E N 0.848 121.057 120.200 0.015 0.000 2.077 960 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 960 E C 2.307 178.921 176.600 0.022 0.000 0.989 960 E CA 1.334 57.739 56.400 0.008 0.000 0.800 960 E CB -0.363 29.341 29.700 0.008 0.000 0.746 960 E HN 0.593 nan 8.360 nan 0.000 0.452 961 A N 1.847 124.701 122.820 0.058 0.000 1.855 961 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 961 A C 2.460 180.073 177.584 0.048 0.000 1.191 961 A CA 1.596 53.666 52.037 0.055 0.000 0.613 961 A CB -0.859 18.209 19.000 0.113 0.000 0.829 961 A HN 0.280 nan 8.150 nan 0.000 0.442 962 A N 0.980 123.848 122.820 0.081 0.000 1.859 962 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 962 A C 2.217 179.804 177.584 0.004 0.000 1.209 962 A CA 2.240 54.313 52.037 0.059 0.000 0.639 962 A CB -1.163 17.901 19.000 0.108 0.000 0.835 962 A HN 1.191 nan 8.150 nan 0.000 0.450 963 I N -2.733 117.822 120.570 -0.024 0.000 2.194 963 I HA -0.255 3.915 4.170 -0.000 0.000 0.246 963 I C 2.091 178.182 176.117 -0.044 0.000 1.093 963 I CA 2.597 63.853 61.300 -0.073 0.000 1.355 963 I CB -0.485 37.467 38.000 -0.080 0.000 1.046 963 I HN 0.441 nan 8.210 nan 0.000 0.413 964 E N 1.011 121.214 120.200 0.004 0.000 2.358 964 E HA -0.065 4.285 4.350 -0.000 0.000 0.195 964 E C 2.183 178.854 176.600 0.119 0.000 1.010 964 E CA 0.794 57.220 56.400 0.042 0.000 0.856 964 E CB 0.124 29.851 29.700 0.044 0.000 0.795 964 E HN 0.713 nan 8.360 nan 0.000 0.504 965 A N 0.460 123.362 122.820 0.136 0.000 1.854 965 A HA -0.154 4.166 4.320 -0.000 0.000 0.214 965 A C 2.455 180.092 177.584 0.087 0.000 1.192 965 A CA 1.053 53.237 52.037 0.246 0.000 0.611 965 A CB -0.885 18.238 19.000 0.204 0.000 0.832 965 A HN 0.440 nan 8.150 nan 0.000 0.442 966 C N -0.855 118.472 119.300 0.044 0.000 2.398 966 C HA -0.135 4.325 4.460 -0.000 0.000 0.279 966 C C 2.773 177.849 174.990 0.144 0.000 1.250 966 C CA 1.353 60.424 59.018 0.088 0.000 1.786 966 C CB -1.439 26.231 27.740 -0.117 0.000 2.018 966 C HN 0.643 nan 8.230 nan 0.000 0.494 967 R N 0.250 120.769 120.500 0.032 0.000 2.064 967 R HA -0.079 4.261 4.340 -0.000 0.000 0.228 967 R C 2.451 178.748 176.300 -0.004 0.000 1.144 967 R CA 1.445 57.553 56.100 0.015 0.000 0.932 967 R CB -0.346 29.948 30.300 -0.011 0.000 0.833 967 R HN 0.392 nan 8.270 nan 0.000 0.429 968 M N 0.499 120.094 119.600 -0.008 0.000 2.110 968 M HA -0.232 4.248 4.480 -0.000 0.000 0.257 968 M C 2.133 178.344 176.300 -0.148 0.000 1.071 968 M CA 1.750 57.005 55.300 -0.076 0.000 1.096 968 M CB -0.893 31.639 32.600 -0.114 0.000 1.300 968 M HN 0.121 nan 8.290 nan 0.000 0.411 969 R N 0.380 120.765 120.500 -0.191 0.000 2.236 969 R HA 0.065 4.405 4.340 -0.000 0.000 0.208 969 R C 2.087 178.307 176.300 -0.133 0.000 1.036 969 R CA 0.355 56.324 56.100 -0.218 0.000 1.001 969 R CB -0.882 29.267 30.300 -0.251 0.000 0.896 969 R HN 0.439 nan 8.270 nan 0.000 0.464 970 L N 1.595 122.772 121.223 -0.076 0.000 2.127 970 L HA -0.217 4.123 4.340 -0.000 0.000 0.211 970 L C 1.774 178.618 176.870 -0.043 0.000 1.089 970 L CA 1.775 56.538 54.840 -0.129 0.000 0.757 970 L CB -0.216 41.733 42.059 -0.183 0.000 0.899 970 L HN 0.139 nan 8.230 nan 0.000 0.434 971 R N 0.321 120.831 120.500 0.017 0.000 2.061 971 R HA -0.103 4.237 4.340 -0.000 0.000 0.230 971 R C -0.270 175.923 176.300 -0.178 0.000 1.140 971 R CA 1.396 57.544 56.100 0.081 0.000 0.940 971 R CB -1.986 28.361 30.300 0.079 0.000 0.839 971 R HN 0.377 nan 8.270 nan 0.000 0.429 972 P HA -0.121 nan 4.420 nan 0.000 0.217 972 P C 1.323 178.489 177.300 -0.223 0.000 1.150 972 P CA 1.117 64.076 63.100 -0.234 0.000 0.832 972 P CB -0.204 31.380 31.700 -0.194 0.000 0.787 973 I N -4.178 116.287 120.570 -0.175 0.000 3.605 973 I HA 0.024 4.194 4.170 -0.000 0.000 0.301 973 I C 0.884 176.919 176.117 -0.137 0.000 1.267 973 I CA 0.652 61.864 61.300 -0.146 0.000 1.236 973 I CB -0.251 37.673 38.000 -0.127 0.000 1.010 973 I HN -0.211 nan 8.210 nan 0.000 0.491 974 V N 0.359 120.162 119.914 -0.184 0.000 3.013 974 V HA 0.038 4.158 4.120 -0.000 0.000 0.238 974 V C 2.232 178.140 176.094 -0.310 0.000 1.161 974 V CA 0.711 62.917 62.300 -0.156 0.000 1.170 974 V CB 0.336 32.146 31.823 -0.021 0.000 0.917 974 V HN 0.319 nan 8.190 nan 0.000 0.478 975 M N -0.034 119.150 119.600 -0.693 0.000 2.255 975 M HA -0.251 4.229 4.480 -0.000 0.000 0.260 975 M C 2.289 178.440 176.300 -0.249 0.000 1.069 975 M CA 2.679 57.545 55.300 -0.723 0.000 1.089 975 M CB -1.020 31.133 32.600 -0.746 0.000 1.269 975 M HN 0.323 nan 8.290 nan 0.000 0.434 976 T N 0.638 115.070 114.554 -0.203 0.000 2.594 976 T HA -0.216 4.134 4.350 -0.000 0.000 0.266 976 T C 1.965 176.655 174.700 -0.017 0.000 1.070 976 T CA 2.210 64.255 62.100 -0.092 0.000 1.166 976 T CB -0.410 68.396 68.868 -0.103 0.000 0.862 976 T HN 0.371 nan 8.240 nan 0.000 0.436 977 S N 0.842 116.524 115.700 -0.030 0.000 2.359 977 S HA -0.033 4.437 4.470 -0.000 0.000 0.223 977 S C 2.050 176.721 174.600 0.117 0.000 1.039 977 S CA 1.089 59.314 58.200 0.042 0.000 1.042 977 S CB -0.551 62.660 63.200 0.019 0.000 0.915 977 S HN 0.347 nan 8.310 nan 0.000 0.439 978 L N 1.004 122.280 121.223 0.087 0.000 2.042 978 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 978 L C 2.793 179.736 176.870 0.122 0.000 1.076 978 L CA 1.236 56.153 54.840 0.129 0.000 0.749 978 L CB -0.826 41.348 42.059 0.191 0.000 0.893 978 L HN 0.352 nan 8.230 nan 0.000 0.432 979 A N -0.250 122.632 122.820 0.103 0.000 1.948 979 A HA -0.298 4.022 4.320 -0.000 0.000 0.220 979 A C 2.111 179.772 177.584 0.129 0.000 1.177 979 A CA 1.913 54.009 52.037 0.098 0.000 0.636 979 A CB -0.736 18.305 19.000 0.069 0.000 0.815 979 A HN 0.433 nan 8.150 nan 0.000 0.449 980 F N 1.226 121.184 119.950 0.014 0.000 2.094 980 F HA -0.045 4.482 4.527 -0.000 0.000 0.291 980 F C 2.124 177.938 175.800 0.024 0.000 1.109 980 F CA 1.531 59.541 58.000 0.018 0.000 1.221 980 F CB -0.292 38.716 39.000 0.013 0.000 1.014 980 F HN 0.259 nan 8.300 nan 0.000 0.473 981 I N -0.679 119.926 120.570 0.059 0.000 2.264 981 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 981 I C 2.291 178.352 176.117 -0.093 0.000 1.111 981 I CA 1.052 62.322 61.300 -0.051 0.000 1.382 981 I CB -1.134 36.913 38.000 0.078 0.000 1.060 981 I HN 0.216 nan 8.210 nan 0.000 0.418 982 L N 1.790 122.995 121.223 -0.031 0.000 2.093 982 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 982 L C 2.567 179.396 176.870 -0.068 0.000 1.085 982 L CA 2.125 56.950 54.840 -0.025 0.000 0.755 982 L CB -1.504 40.570 42.059 0.024 0.000 0.904 982 L HN 0.374 nan 8.230 nan 0.000 0.435 983 G N -1.930 106.809 108.800 -0.103 0.000 2.776 983 G HA2 0.047 4.007 3.960 -0.000 0.000 0.209 983 G HA3 0.047 4.007 3.960 -0.000 0.000 0.209 983 G C 1.368 176.153 174.900 -0.192 0.000 1.145 983 G CA 0.352 45.384 45.100 -0.113 0.000 0.791 983 G HN 0.293 nan 8.290 nan 0.000 0.530 984 V N -0.012 119.747 119.914 -0.259 0.000 3.539 984 V HA -0.039 4.081 4.120 -0.000 0.000 0.262 984 V C 2.660 178.654 176.094 -0.167 0.000 1.381 984 V CA 0.835 62.971 62.300 -0.274 0.000 1.060 984 V CB 0.847 32.386 31.823 -0.472 0.000 0.842 984 V HN 0.260 nan 8.190 nan 0.000 0.445 985 V N -0.829 119.008 119.914 -0.128 0.000 2.453 985 V HA -0.136 3.984 4.120 -0.000 0.000 0.252 985 V C 0.001 176.051 176.094 -0.073 0.000 1.068 985 V CA 1.953 64.201 62.300 -0.088 0.000 1.070 985 V CB -2.454 29.334 31.823 -0.058 0.000 0.664 985 V HN 0.456 nan 8.190 nan 0.000 0.461 986 P HA -0.168 nan 4.420 nan 0.000 0.214 986 P C 2.151 179.427 177.300 -0.039 0.000 1.169 986 P CA 1.746 64.821 63.100 -0.042 0.000 0.908 986 P CB -0.194 31.485 31.700 -0.036 0.000 0.791 987 L N -1.134 120.051 121.223 -0.062 0.000 2.021 987 L HA -0.273 4.067 4.340 -0.000 0.000 0.215 987 L C 2.475 179.321 176.870 -0.040 0.000 1.074 987 L CA 2.011 56.809 54.840 -0.071 0.000 0.760 987 L CB -1.250 40.722 42.059 -0.144 0.000 0.889 987 L HN -0.018 nan 8.230 nan 0.000 0.433 988 A N 0.206 122.967 122.820 -0.099 0.000 1.969 988 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 988 A C 1.862 179.271 177.584 -0.291 0.000 1.169 988 A CA 1.452 53.380 52.037 -0.182 0.000 0.635 988 A CB -0.553 18.359 19.000 -0.147 0.000 0.810 988 A HN 0.616 nan 8.150 nan 0.000 0.445 989 I N -1.739 118.750 120.570 -0.135 0.000 3.877 989 I HA 0.249 4.419 4.170 -0.000 0.000 0.332 989 I C 0.418 176.562 176.117 0.045 0.000 1.525 989 I CA -0.187 61.059 61.300 -0.089 0.000 1.146 989 I CB -0.059 37.908 38.000 -0.055 0.000 1.137 989 I HN 0.150 nan 8.210 nan 0.000 0.424 990 S N 0.886 116.670 115.700 0.140 0.000 2.576 990 S HA 0.227 4.697 4.470 -0.000 0.000 0.272 990 S C 0.387 175.091 174.600 0.173 0.000 1.352 990 S CA -0.109 58.176 58.200 0.143 0.000 1.021 990 S CB 1.223 64.489 63.200 0.110 0.000 0.887 990 S HN 0.433 nan 8.310 nan 0.000 0.542 991 T N 1.024 115.613 114.554 0.058 0.000 2.864 991 T HA 0.588 4.938 4.350 -0.000 0.000 0.299 991 T C 0.391 175.071 174.700 -0.034 0.000 1.011 991 T CA 0.642 62.763 62.100 0.036 0.000 0.975 991 T CB -0.330 68.567 68.868 0.049 0.000 0.962 991 T HN 2.096 nan 8.240 nan 0.000 0.448 992 G N 3.503 112.259 108.800 -0.075 0.000 2.901 992 G HA2 0.325 4.285 3.960 -0.000 0.000 0.654 992 G HA3 0.325 4.285 3.960 -0.000 0.000 0.654 992 G C 0.319 174.982 174.900 -0.396 0.000 1.550 992 G CA -0.070 44.926 45.100 -0.172 0.000 0.978 992 G HN 2.372 nan 8.290 nan 0.000 0.566 993 A N -0.390 121.930 122.820 -0.833 0.000 1.900 993 A HA 0.449 4.769 4.320 -0.000 0.000 0.251 993 A C 2.415 179.728 177.584 -0.452 0.000 1.334 993 A CA 1.709 53.125 52.037 -1.035 0.000 0.728 993 A CB -1.385 16.987 19.000 -1.047 0.000 1.197 993 A HN 3.405 nan 8.150 nan 0.000 0.278 994 G N 0.383 108.991 108.800 -0.320 0.000 2.179 994 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.260 994 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.260 994 G C 1.816 176.660 174.900 -0.094 0.000 0.977 994 G CA 1.611 46.637 45.100 -0.123 0.000 0.641 994 G HN 2.498 nan 8.290 nan 0.000 0.533 995 S N 0.133 115.714 115.700 -0.197 0.000 2.400 995 S HA 0.085 4.555 4.470 -0.000 0.000 0.232 995 S C 2.516 176.813 174.600 -0.505 0.000 1.025 995 S CA 1.690 59.717 58.200 -0.288 0.000 0.993 995 S CB -0.831 62.186 63.200 -0.305 0.000 0.808 995 S HN 1.642 nan 8.310 nan 0.000 0.478 996 G N 1.307 109.900 108.800 -0.345 0.000 2.446 996 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.217 996 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.217 996 G C 1.600 176.359 174.900 -0.235 0.000 1.168 996 G CA 1.069 45.997 45.100 -0.286 0.000 0.771 996 G HN 0.608 nan 8.290 nan 0.000 0.551 997 S N 0.047 115.634 115.700 -0.188 0.000 2.461 997 S HA -0.002 4.468 4.470 -0.000 0.000 0.228 997 S C 2.282 176.645 174.600 -0.395 0.000 1.005 997 S CA 0.559 58.543 58.200 -0.361 0.000 0.942 997 S CB -0.025 63.056 63.200 -0.199 0.000 0.776 997 S HN 0.471 nan 8.310 nan 0.000 0.514 998 Q N 0.327 119.992 119.800 -0.225 0.000 2.167 998 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 998 Q C 1.536 177.445 176.000 -0.152 0.000 0.970 998 Q CA 1.067 56.661 55.803 -0.349 0.000 0.855 998 Q CB -0.201 28.479 28.738 -0.097 0.000 0.911 998 Q HN 0.739 nan 8.270 nan 0.000 0.438 999 H N -0.452 118.493 119.070 -0.208 0.000 2.428 999 H HA 0.002 4.558 4.556 -0.000 0.000 0.296 999 H C 2.088 177.337 175.328 -0.132 0.000 1.062 999 H CA 0.353 56.317 56.048 -0.141 0.000 1.350 999 H CB 0.281 29.987 29.762 -0.094 0.000 1.403 999 H HN 0.267 nan 8.280 nan 0.000 0.533 1000 A N 1.593 124.376 122.820 -0.061 0.000 1.858 1000 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 1000 A C 2.425 180.049 177.584 0.066 0.000 1.190 1000 A CA 1.552 53.570 52.037 -0.032 0.000 0.617 1000 A CB -0.644 18.246 19.000 -0.183 0.000 0.827 1000 A HN 0.444 nan 8.150 nan 0.000 0.443 1001 I N -2.141 118.435 120.570 0.011 0.000 2.206 1001 I HA 0.068 4.238 4.170 -0.000 0.000 0.239 1001 I C 2.494 178.621 176.117 0.016 0.000 1.078 1001 I CA 1.239 62.589 61.300 0.082 0.000 1.367 1001 I CB -1.413 36.645 38.000 0.098 0.000 1.078 1001 I HN 0.181 nan 8.210 nan 0.000 0.413 1002 G N 0.966 109.722 108.800 -0.073 0.000 2.503 1002 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.221 1002 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.221 1002 G C 1.552 176.426 174.900 -0.044 0.000 1.131 1002 G CA 1.860 46.911 45.100 -0.082 0.000 0.756 1002 G HN 0.444 nan 8.290 nan 0.000 0.572 1003 T N 0.777 115.320 114.554 -0.019 0.000 2.612 1003 T HA 0.027 4.377 4.350 -0.000 0.000 0.259 1003 T C 2.552 177.283 174.700 0.052 0.000 1.065 1003 T CA 1.513 63.612 62.100 -0.002 0.000 1.167 1003 T CB -0.959 67.906 68.868 -0.005 0.000 0.863 1003 T HN 0.344 nan 8.240 nan 0.000 0.407 1004 G N 1.107 109.974 108.800 0.112 0.000 2.503 1004 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.221 1004 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.221 1004 G C 1.725 176.679 174.900 0.090 0.000 1.131 1004 G CA 1.101 46.292 45.100 0.151 0.000 0.756 1004 G HN 0.399 nan 8.290 nan 0.000 0.572 1005 V N 2.172 122.139 119.914 0.088 0.000 2.233 1005 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 1005 V C 2.831 179.035 176.094 0.184 0.000 1.050 1005 V CA 2.099 64.487 62.300 0.148 0.000 1.010 1005 V CB -0.464 31.469 31.823 0.183 0.000 0.637 1005 V HN 0.657 nan 8.190 nan 0.000 0.444 1006 I N -1.204 119.426 120.570 0.101 0.000 2.493 1006 I HA 0.012 4.182 4.170 -0.000 0.000 0.254 1006 I C 2.283 178.457 176.117 0.096 0.000 1.160 1006 I CA 1.652 63.008 61.300 0.094 0.000 1.445 1006 I CB -1.176 36.832 38.000 0.013 0.000 1.086 1006 I HN 0.222 nan 8.210 nan 0.000 0.433 1007 G N 1.733 110.581 108.800 0.080 0.000 2.511 1007 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 1007 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 1007 G C 1.601 176.548 174.900 0.078 0.000 1.218 1007 G CA 1.093 46.238 45.100 0.075 0.000 0.788 1007 G HN 0.519 nan 8.290 nan 0.000 0.560 1008 G N 0.567 109.412 108.800 0.074 0.000 2.586 1008 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.218 1008 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.218 1008 G C 1.850 176.787 174.900 0.062 0.000 1.216 1008 G CA 1.556 46.686 45.100 0.050 0.000 0.786 1008 G HN 0.233 nan 8.290 nan 0.000 0.583 1009 M N 0.184 119.846 119.600 0.102 0.000 2.103 1009 M HA -0.150 4.330 4.480 -0.000 0.000 0.255 1009 M C 2.811 179.167 176.300 0.093 0.000 1.074 1009 M CA 1.141 56.505 55.300 0.106 0.000 1.090 1009 M CB -1.214 31.534 32.600 0.247 0.000 1.325 1009 M HN 0.145 nan 8.290 nan 0.000 0.403 1010 V N -0.952 119.024 119.914 0.103 0.000 2.255 1010 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 1010 V C 2.284 178.431 176.094 0.088 0.000 1.051 1010 V CA 2.348 64.704 62.300 0.095 0.000 1.018 1010 V CB -1.006 30.871 31.823 0.089 0.000 0.641 1010 V HN 0.498 nan 8.190 nan 0.000 0.445 1011 T N -1.020 113.580 114.554 0.076 0.000 3.160 1011 T HA 0.151 4.501 4.350 -0.000 0.000 0.257 1011 T C 1.157 175.896 174.700 0.065 0.000 1.147 1011 T CA 0.881 63.024 62.100 0.071 0.000 1.064 1011 T CB -0.206 68.693 68.868 0.051 0.000 0.949 1011 T HN 0.484 nan 8.240 nan 0.000 0.526 1012 A N -0.820 122.034 122.820 0.058 0.000 2.470 1012 A HA 0.432 4.752 4.320 -0.000 0.000 0.251 1012 A C 1.722 179.336 177.584 0.049 0.000 1.245 1012 A CA 0.026 52.090 52.037 0.044 0.000 0.932 1012 A CB 0.259 19.265 19.000 0.009 0.000 1.037 1012 A HN 0.442 nan 8.150 nan 0.000 0.522 1013 T N -1.691 112.902 114.554 0.064 0.000 3.330 1013 T HA 0.044 4.394 4.350 -0.000 0.000 0.240 1013 T C 1.758 176.497 174.700 0.066 0.000 0.988 1013 T CA 0.981 63.105 62.100 0.040 0.000 1.253 1013 T CB -0.417 68.470 68.868 0.031 0.000 1.163 1013 T HN -0.057 nan 8.240 nan 0.000 0.382 1014 V N 2.707 122.688 119.914 0.111 0.000 2.313 1014 V HA -0.178 3.942 4.120 -0.000 0.000 0.253 1014 V C 2.421 178.712 176.094 0.328 0.000 1.070 1014 V CA 1.655 64.073 62.300 0.197 0.000 1.057 1014 V CB -0.596 31.342 31.823 0.192 0.000 0.653 1014 V HN 0.377 nan 8.190 nan 0.000 0.450 1015 L N -1.070 120.315 121.223 0.271 0.000 2.102 1015 L HA 0.030 4.370 4.340 -0.000 0.000 0.202 1015 L C 2.681 179.822 176.870 0.451 0.000 1.076 1015 L CA 1.827 56.877 54.840 0.350 0.000 0.761 1015 L CB -1.240 40.912 42.059 0.156 0.000 0.921 1015 L HN 0.386 nan 8.230 nan 0.000 0.444 1016 A N 1.217 124.204 122.820 0.277 0.000 1.877 1016 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 1016 A C 2.069 179.827 177.584 0.290 0.000 1.186 1016 A CA 1.660 53.867 52.037 0.283 0.000 0.620 1016 A CB -0.818 18.269 19.000 0.145 0.000 0.822 1016 A HN 0.537 nan 8.150 nan 0.000 0.443 1017 I N -4.499 116.140 120.570 0.114 0.000 2.761 1017 I HA -0.197 3.973 4.170 -0.000 0.000 0.266 1017 I C 1.803 177.940 176.117 0.034 0.000 1.239 1017 I CA 1.689 62.964 61.300 -0.042 0.000 1.451 1017 I CB -0.377 37.361 38.000 -0.436 0.000 1.096 1017 I HN 0.214 nan 8.210 nan 0.000 0.465 1018 F N -1.014 119.171 119.950 0.392 0.000 2.678 1018 F HA 0.189 4.716 4.527 0.000 0.000 0.291 1018 F C 1.506 177.329 175.800 0.039 0.000 1.123 1018 F CA -0.041 58.107 58.000 0.246 0.000 1.395 1018 F CB 0.051 39.184 39.000 0.222 0.000 1.121 1018 F HN 0.044 nan 8.300 nan 0.000 0.592 1019 W N -1.260 120.234 121.300 0.324 0.000 2.792 1019 W HA 0.151 4.810 4.660 -0.000 0.000 0.262 1019 W C 2.000 178.719 176.519 0.333 0.000 1.212 1019 W CA 0.166 57.662 57.345 0.251 0.000 1.433 1019 W CB -0.900 28.805 29.460 0.408 0.000 1.004 1019 W HN -0.351 nan 8.180 nan 0.000 0.608 1020 V N 2.152 122.398 119.914 0.554 0.000 2.282 1020 V HA -0.275 3.845 4.120 -0.000 0.000 0.249 1020 V C -0.400 175.884 176.094 0.315 0.000 1.057 1020 V CA 2.086 64.645 62.300 0.431 0.000 1.032 1020 V CB -2.254 29.712 31.823 0.239 0.000 0.645 1020 V HN -0.031 nan 8.190 nan 0.000 0.447 1021 P HA -0.163 nan 4.420 nan 0.000 0.215 1021 P C 2.052 179.406 177.300 0.089 0.000 1.153 1021 P CA 1.413 64.583 63.100 0.116 0.000 0.853 1021 P CB -0.057 31.655 31.700 0.019 0.000 0.788 1022 L N -1.780 119.427 121.223 -0.027 0.000 1.970 1022 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 1022 L C 2.335 179.136 176.870 -0.114 0.000 1.071 1022 L CA 1.889 56.616 54.840 -0.188 0.000 0.751 1022 L CB -0.726 41.074 42.059 -0.431 0.000 0.889 1022 L HN -0.110 nan 8.230 nan 0.000 0.432 1023 F N -1.430 118.571 119.950 0.084 0.000 2.126 1023 F HA -0.324 4.204 4.527 0.000 0.000 0.299 1023 F C 2.433 178.301 175.800 0.112 0.000 1.096 1023 F CA 1.794 59.845 58.000 0.084 0.000 1.255 1023 F CB -0.779 38.279 39.000 0.097 0.000 0.997 1023 F HN 0.163 nan 8.300 nan 0.000 0.479 1024 Y N 0.811 121.225 120.300 0.191 0.000 2.070 1024 Y HA -0.269 4.281 4.550 -0.000 0.000 0.280 1024 Y C 2.365 178.281 175.900 0.027 0.000 1.148 1024 Y CA 1.604 59.760 58.100 0.094 0.000 1.125 1024 Y CB -0.889 37.601 38.460 0.050 0.000 0.975 1024 Y HN -0.137 nan 8.280 nan 0.000 0.492 1025 V N 0.512 120.386 119.914 -0.066 0.000 2.261 1025 V HA -0.340 3.780 4.120 -0.000 0.000 0.246 1025 V C 2.725 178.725 176.094 -0.157 0.000 1.047 1025 V CA 2.001 64.188 62.300 -0.188 0.000 1.015 1025 V CB -1.750 30.014 31.823 -0.098 0.000 0.642 1025 V HN 0.569 nan 8.190 nan 0.000 0.446 1026 A N -0.323 122.447 122.820 -0.082 0.000 1.892 1026 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 1026 A C 2.404 179.971 177.584 -0.027 0.000 1.188 1026 A CA 2.373 54.378 52.037 -0.055 0.000 0.631 1026 A CB -0.781 18.191 19.000 -0.046 0.000 0.822 1026 A HN 0.339 nan 8.150 nan 0.000 0.447 1027 V N -0.510 119.412 119.914 0.013 0.000 2.307 1027 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 1027 V C 2.808 178.856 176.094 -0.075 0.000 1.045 1027 V CA 2.233 64.546 62.300 0.021 0.000 1.024 1027 V CB -0.712 31.185 31.823 0.123 0.000 0.651 1027 V HN 0.566 nan 8.190 nan 0.000 0.449 1028 S N 0.347 115.934 115.700 -0.188 0.000 2.359 1028 S HA -0.164 4.306 4.470 -0.000 0.000 0.224 1028 S C 1.645 176.140 174.600 -0.176 0.000 1.035 1028 S CA 1.821 59.865 58.200 -0.260 0.000 1.018 1028 S CB -0.475 62.408 63.200 -0.528 0.000 0.876 1028 S HN 0.818 nan 8.310 nan 0.000 0.448 1029 T N 1.338 115.798 114.554 -0.157 0.000 4.029 1029 T HA 0.437 4.787 4.350 -0.000 0.000 0.226 1029 T C 0.036 174.691 174.700 -0.074 0.000 0.838 1029 T CA -0.112 61.924 62.100 -0.107 0.000 0.907 1029 T CB -0.931 67.877 68.868 -0.098 0.000 1.296 1029 T HN 0.083 nan 8.240 nan 0.000 0.711 1030 L N 0.000 121.181 121.223 -0.071 0.000 2.949 1030 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 1030 L CA 0.000 54.807 54.840 -0.055 0.000 0.813 1030 L CB 0.000 42.024 42.059 -0.059 0.000 0.961 1030 L HN 0.000 nan 8.230 nan 0.000 0.502