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_F 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 0.000 176.416 176.300 0.193 0.000 1.140 1 M CA 0.000 55.328 55.300 0.047 0.000 0.988 1 M CB 0.000 32.660 32.600 0.101 0.000 1.302 2 S N 1.511 117.322 115.700 0.184 0.000 2.393 2 S HA -0.251 4.218 4.470 -0.001 0.000 0.235 2 S C 1.472 176.168 174.600 0.160 0.000 1.061 2 S CA 2.364 60.672 58.200 0.181 0.000 1.129 2 S CB -0.568 62.685 63.200 0.088 0.000 1.011 2 S HN 0.316 nan 8.310 nan 0.000 0.436 3 K N 0.246 120.706 120.400 0.100 0.000 2.020 3 K HA -0.148 4.172 4.320 -0.001 0.000 0.212 3 K C 1.880 178.512 176.600 0.054 0.000 1.050 3 K CA 1.817 58.143 56.287 0.065 0.000 0.929 3 K CB -0.467 32.061 32.500 0.046 0.000 0.714 3 K HN 0.376 nan 8.250 nan 0.000 0.443 4 F N 0.455 120.335 119.950 -0.117 0.000 2.091 4 F HA -0.257 4.269 4.527 -0.001 0.000 0.299 4 F C 1.677 177.317 175.800 -0.266 0.000 1.103 4 F CA 1.596 59.449 58.000 -0.244 0.000 1.228 4 F CB -0.238 38.504 39.000 -0.429 0.000 0.984 4 F HN -0.032 nan 8.300 nan 0.000 0.477 5 F N 0.093 120.099 119.950 0.094 0.000 2.367 5 F HA -0.049 4.477 4.527 -0.001 0.000 0.298 5 F C 2.213 177.965 175.800 -0.079 0.000 1.094 5 F CA 0.592 58.574 58.000 -0.029 0.000 1.409 5 F CB -0.348 38.663 39.000 0.018 0.000 1.064 5 F HN -0.061 nan 8.300 nan 0.000 0.528 6 I N 0.044 120.673 120.570 0.099 0.000 2.335 6 I HA -0.279 3.891 4.170 -0.001 0.000 0.251 6 I C 1.049 177.169 176.117 0.005 0.000 1.129 6 I CA 1.380 62.707 61.300 0.046 0.000 1.402 6 I CB -0.340 37.678 38.000 0.030 0.000 1.069 6 I HN 0.104 nan 8.210 nan 0.000 0.424 7 D N 0.853 121.214 120.400 -0.064 0.000 2.363 7 D HA 0.117 4.757 4.640 -0.001 0.000 0.214 7 D C 0.287 176.524 176.300 -0.106 0.000 1.093 7 D CA 0.285 54.233 54.000 -0.086 0.000 0.837 7 D CB 0.340 41.068 40.800 -0.119 0.000 0.948 7 D HN 0.311 nan 8.370 nan 0.000 0.507 8 R N 0.324 120.773 120.500 -0.086 0.000 2.655 8 R HA 0.210 4.550 4.340 -0.001 0.000 0.261 8 R C -2.179 174.227 176.300 0.177 0.000 1.624 8 R CA -1.032 55.072 56.100 0.007 0.000 1.655 8 R CB 1.371 31.603 30.300 -0.114 0.000 1.356 8 R HN -0.150 nan 8.270 nan 0.000 0.684 9 P HA -0.121 nan 4.420 nan 0.000 0.226 9 P C 1.027 178.514 177.300 0.311 0.000 1.153 9 P CA 0.908 64.121 63.100 0.188 0.000 0.777 9 P CB 0.160 31.966 31.700 0.177 0.000 0.794 10 I N -6.422 114.359 120.570 0.351 0.000 3.526 10 I HA 0.093 4.263 4.170 -0.001 0.000 0.294 10 I C 2.075 178.452 176.117 0.433 0.000 1.229 10 I CA 0.134 61.691 61.300 0.428 0.000 1.408 10 I CB -0.733 37.430 38.000 0.272 0.000 1.127 10 I HN -0.203 nan 8.210 nan 0.000 0.439 11 F N 2.779 122.873 119.950 0.240 0.000 2.095 11 F HA -0.255 4.272 4.527 -0.001 0.000 0.298 11 F C 2.667 178.630 175.800 0.270 0.000 1.104 11 F CA 1.634 59.808 58.000 0.290 0.000 1.232 11 F CB 0.126 39.353 39.000 0.378 0.000 0.987 11 F HN 0.198 nan 8.300 nan 0.000 0.475 12 A N -0.168 122.916 122.820 0.441 0.000 1.908 12 A HA -0.289 4.030 4.320 -0.001 0.000 0.218 12 A C 1.927 179.491 177.584 -0.034 0.000 1.181 12 A CA 1.779 53.775 52.037 -0.068 0.000 0.627 12 A CB -1.678 17.234 19.000 -0.147 0.000 0.818 12 A HN 0.718 nan 8.150 nan 0.000 0.445 13 W N -0.436 120.921 121.300 0.095 0.000 2.363 13 W HA -0.119 4.540 4.660 -0.001 0.000 0.296 13 W C 2.289 178.855 176.519 0.078 0.000 1.212 13 W CA 1.291 58.675 57.345 0.067 0.000 1.260 13 W CB -0.145 29.356 29.460 0.068 0.000 1.131 13 W HN 0.149 nan 8.180 nan 0.000 0.530 14 V N 1.266 121.408 119.914 0.380 0.000 2.427 14 V HA -0.317 3.803 4.120 -0.001 0.000 0.248 14 V C 1.983 178.208 176.094 0.219 0.000 1.051 14 V CA 1.983 64.445 62.300 0.269 0.000 1.048 14 V CB -0.941 31.012 31.823 0.217 0.000 0.666 14 V HN 0.346 nan 8.190 nan 0.000 0.456 15 I N 0.239 120.938 120.570 0.215 0.000 2.252 15 I HA -0.101 4.069 4.170 -0.001 0.000 0.245 15 I C 2.444 178.605 176.117 0.073 0.000 1.102 15 I CA 1.897 63.273 61.300 0.128 0.000 1.385 15 I CB -0.658 37.379 38.000 0.061 0.000 1.064 15 I HN 0.118 nan 8.210 nan 0.000 0.414 16 A N 1.706 124.553 122.820 0.046 0.000 1.917 16 A HA -0.145 4.174 4.320 -0.001 0.000 0.219 16 A C 2.354 180.014 177.584 0.126 0.000 1.182 16 A CA 2.123 54.189 52.037 0.048 0.000 0.633 16 A CB -1.100 17.895 19.000 -0.009 0.000 0.819 16 A HN 0.608 nan 8.150 nan 0.000 0.448 17 L N -0.929 120.406 121.223 0.186 0.000 2.044 17 L HA -0.127 4.212 4.340 -0.001 0.000 0.205 17 L C 2.563 179.498 176.870 0.107 0.000 1.075 17 L CA 0.969 55.907 54.840 0.164 0.000 0.747 17 L CB -0.486 41.676 42.059 0.172 0.000 0.903 17 L HN 0.246 nan 8.230 nan 0.000 0.435 18 V N 0.997 120.972 119.914 0.101 0.000 2.332 18 V HA -0.321 3.799 4.120 -0.001 0.000 0.248 18 V C 2.315 178.449 176.094 0.067 0.000 1.055 18 V CA 2.278 64.624 62.300 0.077 0.000 1.038 18 V CB -0.453 31.419 31.823 0.081 0.000 0.651 18 V HN 0.510 nan 8.190 nan 0.000 0.450 19 I N -2.226 118.384 120.570 0.067 0.000 2.439 19 I HA -0.207 3.962 4.170 -0.001 0.000 0.251 19 I C 2.346 178.502 176.117 0.065 0.000 1.139 19 I CA 1.799 63.134 61.300 0.058 0.000 1.438 19 I CB -0.332 37.695 38.000 0.046 0.000 1.085 19 I HN 0.228 nan 8.210 nan 0.000 0.427 20 M N 0.769 120.413 119.600 0.073 0.000 2.117 20 M HA -0.157 4.323 4.480 -0.001 0.000 0.262 20 M C 2.371 178.706 176.300 0.058 0.000 1.065 20 M CA 1.669 57.014 55.300 0.075 0.000 1.114 20 M CB -0.297 32.356 32.600 0.089 0.000 1.361 20 M HN 0.414 nan 8.290 nan 0.000 0.408 21 L N 0.182 121.438 121.223 0.055 0.000 2.017 21 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 21 L C 2.446 179.336 176.870 0.033 0.000 1.073 21 L CA 2.132 56.996 54.840 0.039 0.000 0.745 21 L CB -0.815 41.267 42.059 0.039 0.000 0.894 21 L HN 0.272 nan 8.230 nan 0.000 0.432 22 A N -0.523 122.321 122.820 0.040 0.000 1.968 22 A HA -0.052 4.267 4.320 -0.001 0.000 0.217 22 A C 2.285 179.896 177.584 0.044 0.000 1.169 22 A CA 1.306 53.364 52.037 0.036 0.000 0.638 22 A CB -1.002 18.020 19.000 0.037 0.000 0.812 22 A HN 0.523 nan 8.150 nan 0.000 0.446 23 G N -0.533 108.303 108.800 0.060 0.000 2.403 23 G HA2 0.097 4.056 3.960 -0.001 0.000 0.216 23 G HA3 0.097 4.056 3.960 -0.001 0.000 0.216 23 G C 1.474 176.406 174.900 0.054 0.000 1.154 23 G CA 1.167 46.322 45.100 0.091 0.000 0.784 23 G HN 0.634 nan 8.290 nan 0.000 0.538 24 G N 1.051 109.860 108.800 0.015 0.000 2.414 24 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.215 24 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.215 24 G C 1.696 176.567 174.900 -0.047 0.000 1.188 24 G CA 0.510 45.585 45.100 -0.041 0.000 0.783 24 G HN 0.358 nan 8.290 nan 0.000 0.537 25 L N 1.809 123.022 121.223 -0.016 0.000 2.349 25 L HA -0.113 4.227 4.340 -0.001 0.000 0.220 25 L C 2.981 179.843 176.870 -0.012 0.000 1.130 25 L CA 1.568 56.399 54.840 -0.015 0.000 0.791 25 L CB -0.522 41.535 42.059 -0.002 0.000 0.918 25 L HN 0.385 nan 8.230 nan 0.000 0.444 26 S N -0.785 114.915 115.700 0.000 0.000 2.439 26 S HA 0.027 4.496 4.470 -0.001 0.000 0.224 26 S C 1.908 176.506 174.600 -0.002 0.000 1.029 26 S CA 0.049 58.261 58.200 0.021 0.000 0.946 26 S CB -0.115 63.125 63.200 0.066 0.000 0.797 26 S HN 0.236 nan 8.310 nan 0.000 0.504 27 I N 2.244 122.762 120.570 -0.085 0.000 2.315 27 I HA -0.179 3.991 4.170 -0.001 0.000 0.251 27 I C 2.200 178.248 176.117 -0.115 0.000 1.125 27 I CA 1.284 62.458 61.300 -0.211 0.000 1.392 27 I CB -0.856 36.907 38.000 -0.395 0.000 1.065 27 I HN 0.339 nan 8.210 nan 0.000 0.424 28 L N 0.423 121.601 121.223 -0.074 0.000 2.056 28 L HA -0.155 4.184 4.340 -0.001 0.000 0.207 28 L C 2.399 179.254 176.870 -0.024 0.000 1.078 28 L CA 1.708 56.518 54.840 -0.049 0.000 0.749 28 L CB -0.549 41.487 42.059 -0.038 0.000 0.901 28 L HN 0.304 nan 8.230 nan 0.000 0.433 29 S N -1.138 114.557 115.700 -0.009 0.000 2.556 29 S HA 0.231 4.700 4.470 -0.001 0.000 0.216 29 S C 0.655 175.267 174.600 0.020 0.000 0.970 29 S CA -0.382 57.821 58.200 0.004 0.000 0.912 29 S CB -0.340 62.864 63.200 0.007 0.000 0.790 29 S HN 0.139 nan 8.310 nan 0.000 0.504 30 L N 2.544 123.785 121.223 0.029 0.000 2.426 30 L HA 0.329 4.668 4.340 -0.001 0.000 0.271 30 L C -2.356 174.540 176.870 0.044 0.000 1.169 30 L CA -1.913 52.962 54.840 0.059 0.000 0.836 30 L CB 0.063 42.185 42.059 0.104 0.000 1.112 30 L HN 0.016 nan 8.230 nan 0.000 0.465 31 P HA 0.126 nan 4.420 nan 0.000 0.276 31 P C -1.034 176.289 177.300 0.038 0.000 1.230 31 P CA -0.221 62.900 63.100 0.035 0.000 0.776 31 P CB 0.941 32.659 31.700 0.030 0.000 0.888 32 V N 4.439 124.368 119.914 0.026 0.000 2.357 32 V HA 0.394 4.514 4.120 -0.001 0.000 0.284 32 V C -0.043 176.059 176.094 0.012 0.000 1.018 32 V CA -0.344 61.968 62.300 0.019 0.000 0.841 32 V CB 1.139 32.970 31.823 0.014 0.000 0.991 32 V HN 0.524 nan 8.190 nan 0.000 0.437 33 N N 2.335 121.035 118.700 0.001 0.000 2.469 33 N HA 0.406 5.146 4.740 -0.001 0.000 0.286 33 N C 0.522 176.008 175.510 -0.040 0.000 1.275 33 N CA -0.808 52.245 53.050 0.005 0.000 0.790 33 N CB 1.759 40.260 38.487 0.024 0.000 1.446 33 N HN 0.621 nan 8.380 nan 0.000 0.501 34 Q N -0.517 119.272 119.800 -0.018 0.000 2.089 34 Q HA 0.124 4.464 4.340 -0.001 0.000 0.195 34 Q C -0.525 175.269 176.000 -0.342 0.000 0.963 34 Q CA 1.368 57.091 55.803 -0.133 0.000 0.834 34 Q CB 0.236 28.997 28.738 0.037 0.000 0.906 34 Q HN 0.601 nan 8.270 nan 0.000 0.452 35 Y N -0.804 119.502 120.300 0.011 0.000 2.634 35 Y HA 0.453 5.002 4.550 -0.001 0.000 0.340 35 Y C -2.164 173.742 175.900 0.010 0.000 1.058 35 Y CA -2.808 55.300 58.100 0.013 0.000 1.081 35 Y CB 1.376 39.864 38.460 0.047 0.000 1.295 35 Y HN 0.097 nan 8.280 nan 0.000 0.487 36 P HA 0.228 nan 4.420 nan 0.000 0.279 36 P C -1.071 176.277 177.300 0.080 0.000 1.282 36 P CA -0.628 62.521 63.100 0.082 0.000 0.788 36 P CB 0.433 32.167 31.700 0.056 0.000 1.139 37 A N 1.095 123.931 122.820 0.027 0.000 2.981 37 A HA 0.106 4.425 4.320 -0.001 0.000 0.280 37 A C 1.040 178.640 177.584 0.025 0.000 1.797 37 A CA -0.074 51.976 52.037 0.022 0.000 1.456 37 A CB -1.874 17.123 19.000 -0.005 0.000 1.057 37 A HN 0.692 nan 8.150 nan 0.000 0.602 38 I N 0.056 120.654 120.570 0.045 0.000 3.793 38 I HA 0.386 4.556 4.170 -0.001 0.000 0.315 38 I C 0.825 176.967 176.117 0.041 0.000 1.275 38 I CA 0.103 61.430 61.300 0.045 0.000 1.214 38 I CB 0.126 38.159 38.000 0.054 0.000 1.018 38 I HN 0.406 nan 8.210 nan 0.000 0.439 39 A N 2.055 124.892 122.820 0.029 0.000 2.309 39 A HA 0.663 4.982 4.320 -0.001 0.000 0.298 39 A C -2.529 175.060 177.584 0.008 0.000 1.165 39 A CA -1.552 50.497 52.037 0.020 0.000 0.821 39 A CB -0.233 18.776 19.000 0.014 0.000 1.102 39 A HN 0.160 nan 8.150 nan 0.000 0.500 40 P HA 0.240 nan 4.420 nan 0.000 0.265 40 P C -2.477 174.817 177.300 -0.010 0.000 1.222 40 P CA -0.656 62.434 63.100 -0.018 0.000 0.767 40 P CB -0.229 31.429 31.700 -0.071 0.000 0.801 41 P HA 0.175 nan 4.420 nan 0.000 0.262 41 P C -0.730 176.609 177.300 0.064 0.000 1.182 41 P CA 0.560 63.661 63.100 0.002 0.000 0.761 41 P CB 0.406 32.081 31.700 -0.041 0.000 0.795 42 A N 3.886 126.736 122.820 0.050 0.000 2.455 42 A HA 0.740 5.060 4.320 -0.001 0.000 0.300 42 A C -0.658 176.972 177.584 0.075 0.000 1.040 42 A CA -0.709 51.389 52.037 0.102 0.000 0.697 42 A CB 0.952 19.981 19.000 0.048 0.000 1.265 42 A HN 0.626 nan 8.150 nan 0.000 0.407 43 I N -0.043 120.607 120.570 0.133 0.000 2.545 43 I HA 0.910 5.080 4.170 -0.001 0.000 0.292 43 I C -0.174 175.986 176.117 0.071 0.000 1.040 43 I CA -0.854 60.488 61.300 0.070 0.000 1.068 43 I CB 2.144 40.165 38.000 0.036 0.000 1.251 43 I HN 0.736 nan 8.210 nan 0.000 0.424 44 A N 5.883 128.722 122.820 0.032 0.000 2.324 44 A HA 0.807 5.127 4.320 -0.001 0.000 0.330 44 A C -0.751 176.840 177.584 0.011 0.000 1.165 44 A CA -0.631 51.420 52.037 0.022 0.000 0.813 44 A CB 1.621 20.628 19.000 0.011 0.000 1.197 44 A HN 0.613 nan 8.150 nan 0.000 0.484 45 V N 2.348 122.267 119.914 0.008 0.000 2.459 45 V HA 0.489 4.608 4.120 -0.001 0.000 0.295 45 V C -0.183 175.907 176.094 -0.008 0.000 1.029 45 V CA -0.273 62.026 62.300 -0.002 0.000 0.874 45 V CB 1.271 33.093 31.823 -0.002 0.000 0.985 45 V HN 1.006 nan 8.190 nan 0.000 0.438 46 Q N 2.598 122.392 119.800 -0.010 0.000 2.359 46 Q HA 0.857 5.197 4.340 -0.001 0.000 0.274 46 Q C -1.664 174.331 176.000 -0.007 0.000 1.074 46 Q CA -0.566 55.233 55.803 -0.007 0.000 0.810 46 Q CB 3.234 31.971 28.738 -0.003 0.000 1.342 46 Q HN 0.516 nan 8.270 nan 0.000 0.427 47 V N 0.741 120.654 119.914 -0.000 0.000 3.108 47 V HA 0.418 4.538 4.120 -0.001 0.000 0.287 47 V C -1.532 174.580 176.094 0.030 0.000 1.436 47 V CA -0.379 61.925 62.300 0.007 0.000 1.001 47 V CB 2.780 34.599 31.823 -0.006 0.000 1.141 47 V HN 0.821 nan 8.190 nan 0.000 0.443 48 S N 3.684 119.414 115.700 0.050 0.000 2.608 48 S HA 0.646 5.116 4.470 -0.001 0.000 0.291 48 S C -1.449 173.247 174.600 0.161 0.000 1.146 48 S CA -0.257 57.995 58.200 0.085 0.000 1.043 48 S CB 1.352 64.593 63.200 0.067 0.000 1.037 48 S HN 0.699 nan 8.310 nan 0.000 0.520 49 Y N 3.539 123.838 120.300 -0.002 0.000 2.805 49 Y HA 0.395 4.944 4.550 -0.001 0.000 0.339 49 Y C -2.811 173.091 175.900 0.004 0.000 1.012 49 Y CA -3.180 54.919 58.100 -0.003 0.000 1.262 49 Y CB 0.073 38.527 38.460 -0.010 0.000 1.100 49 Y HN 0.391 nan 8.280 nan 0.000 0.559 50 P HA 0.086 nan 4.420 nan 0.000 0.253 50 P C 0.302 177.469 177.300 -0.223 0.000 1.159 50 P CA 1.694 64.744 63.100 -0.083 0.000 0.779 50 P CB 0.076 31.760 31.700 -0.027 0.000 0.745 51 G N 2.611 111.315 108.800 -0.159 0.000 2.540 51 G HA2 0.151 4.111 3.960 -0.001 0.000 0.260 51 G HA3 0.151 4.111 3.960 -0.001 0.000 0.260 51 G C -0.185 174.550 174.900 -0.275 0.000 0.993 51 G CA -0.179 44.818 45.100 -0.171 0.000 1.327 51 G HN 0.785 nan 8.290 nan 0.000 0.485 52 A N 0.898 123.597 122.820 -0.201 0.000 2.604 52 A HA 0.995 5.314 4.320 -0.001 0.000 0.295 52 A C 0.223 177.772 177.584 -0.057 0.000 1.067 52 A CA 0.345 52.281 52.037 -0.167 0.000 0.683 52 A CB 0.951 19.825 19.000 -0.210 0.000 1.281 52 A HN 2.142 nan 8.150 nan 0.000 0.407 53 S N 0.747 116.428 115.700 -0.032 0.000 2.592 53 S HA 0.508 4.977 4.470 -0.001 0.000 0.271 53 S C 1.245 175.836 174.600 -0.015 0.000 1.326 53 S CA 0.038 58.222 58.200 -0.027 0.000 1.024 53 S CB 1.403 64.585 63.200 -0.031 0.000 0.921 53 S HN 2.026 nan 8.310 nan 0.000 0.527 54 A N 0.869 123.669 122.820 -0.032 0.000 2.186 54 A HA -0.082 4.238 4.320 -0.001 0.000 0.219 54 A C 1.930 179.473 177.584 -0.068 0.000 1.159 54 A CA 1.209 53.219 52.037 -0.045 0.000 0.680 54 A CB -0.634 18.331 19.000 -0.059 0.000 0.787 54 A HN 0.922 nan 8.150 nan 0.000 0.467 55 E N -1.995 118.165 120.200 -0.066 0.000 2.251 55 E HA -0.032 4.317 4.350 -0.001 0.000 0.194 55 E C 1.570 178.148 176.600 -0.038 0.000 0.964 55 E CA 0.944 57.296 56.400 -0.081 0.000 0.868 55 E CB -0.492 29.154 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 0.050 4.400 4.350 -0.001 0.000 0.259 56 T C 1.782 176.526 174.700 0.074 0.000 1.122 56 T CA 0.193 62.314 62.100 0.035 0.000 1.095 56 T CB 0.159 69.059 68.868 0.054 0.000 0.930 56 T HN -0.077 nan 8.240 nan 0.000 0.508 57 V N 1.750 121.701 119.914 0.062 0.000 2.374 57 V HA -0.077 4.043 4.120 -0.001 0.000 0.241 57 V C 2.540 178.629 176.094 -0.008 0.000 1.034 57 V CA 1.869 64.212 62.300 0.072 0.000 1.037 57 V CB -0.380 31.491 31.823 0.079 0.000 0.682 57 V HN 0.617 nan 8.190 nan 0.000 0.463 58 Q N -0.446 119.333 119.800 -0.035 0.000 2.439 58 Q HA -0.210 4.130 4.340 -0.001 0.000 0.211 58 Q C 1.031 176.995 176.000 -0.060 0.000 0.978 58 Q CA 1.905 57.670 55.803 -0.064 0.000 0.897 58 Q CB -0.122 28.562 28.738 -0.091 0.000 0.956 58 Q HN 0.515 nan 8.270 nan 0.000 0.483 59 D N -0.570 119.803 120.400 -0.044 0.000 2.417 59 D HA 0.023 4.662 4.640 -0.001 0.000 0.207 59 D C 0.918 177.193 176.300 -0.043 0.000 1.075 59 D CA 0.644 54.620 54.000 -0.040 0.000 0.851 59 D CB 0.773 41.555 40.800 -0.029 0.000 0.976 59 D HN 0.219 nan 8.370 nan 0.000 0.505 60 T N -0.937 113.585 114.554 -0.053 0.000 2.975 60 T HA 0.185 4.534 4.350 -0.001 0.000 0.257 60 T C 1.305 175.921 174.700 -0.141 0.000 1.003 60 T CA 0.273 62.318 62.100 -0.092 0.000 0.932 60 T CB 0.527 69.334 68.868 -0.102 0.000 1.087 60 T HN -0.151 nan 8.240 nan 0.000 0.512 61 V N -0.430 119.413 119.914 -0.119 0.000 3.658 61 V HA 0.215 4.335 4.120 -0.001 0.000 0.197 61 V C 2.202 178.246 176.094 -0.084 0.000 1.295 61 V CA 0.312 62.540 62.300 -0.120 0.000 1.298 61 V CB -0.129 31.612 31.823 -0.136 0.000 1.347 61 V HN 0.149 nan 8.190 nan 0.000 0.548 62 V N 0.634 120.503 119.914 -0.075 0.000 2.231 62 V HA -0.337 3.783 4.120 -0.001 0.000 0.250 62 V C 2.590 178.642 176.094 -0.070 0.000 1.058 62 V CA 2.668 64.924 62.300 -0.073 0.000 1.022 62 V CB -0.637 31.136 31.823 -0.082 0.000 0.640 62 V HN 0.555 nan 8.190 nan 0.000 0.445 63 Q N -0.443 119.315 119.800 -0.069 0.000 2.197 63 Q HA -0.187 4.152 4.340 -0.001 0.000 0.207 63 Q C 2.077 178.045 176.000 -0.053 0.000 0.984 63 Q CA 2.129 57.895 55.803 -0.061 0.000 0.869 63 Q CB -0.278 28.427 28.738 -0.055 0.000 0.906 63 Q HN 0.620 nan 8.270 nan 0.000 0.426 64 V N 1.095 120.976 119.914 -0.054 0.000 2.878 64 V HA -0.156 3.963 4.120 -0.001 0.000 0.250 64 V C 2.292 178.360 176.094 -0.043 0.000 1.075 64 V CA 1.212 63.484 62.300 -0.047 0.000 1.096 64 V CB -0.656 31.136 31.823 -0.052 0.000 0.724 64 V HN 0.440 nan 8.190 nan 0.000 0.467 65 I N -1.405 119.137 120.570 -0.046 0.000 2.500 65 I HA -0.036 4.133 4.170 -0.001 0.000 0.252 65 I C 2.175 178.271 176.117 -0.034 0.000 1.142 65 I CA 1.321 62.598 61.300 -0.038 0.000 1.451 65 I CB -0.526 37.451 38.000 -0.039 0.000 1.093 65 I HN 0.242 nan 8.210 nan 0.000 0.430 66 E N 1.555 121.731 120.200 -0.041 0.000 2.077 66 E HA -0.228 4.122 4.350 -0.001 0.000 0.193 66 E C 2.010 178.590 176.600 -0.033 0.000 0.989 66 E CA 1.282 57.658 56.400 -0.040 0.000 0.800 66 E CB -0.235 29.436 29.700 -0.049 0.000 0.746 66 E HN 0.657 nan 8.360 nan 0.000 0.452 67 Q N 0.027 119.809 119.800 -0.031 0.000 2.561 67 Q HA -0.126 4.213 4.340 -0.001 0.000 0.217 67 Q C 1.647 177.635 176.000 -0.021 0.000 0.980 67 Q CA 0.663 56.451 55.803 -0.025 0.000 0.927 67 Q CB 0.188 28.912 28.738 -0.024 0.000 0.980 67 Q HN 0.286 nan 8.270 nan 0.000 0.525 68 Q N -1.202 118.586 119.800 -0.021 0.000 2.391 68 Q HA 0.136 4.476 4.340 -0.001 0.000 0.243 68 Q C 1.742 177.735 176.000 -0.012 0.000 0.874 68 Q CA 0.194 55.988 55.803 -0.015 0.000 0.950 68 Q CB 0.426 29.156 28.738 -0.014 0.000 1.103 68 Q HN 0.347 nan 8.270 nan 0.000 0.544 69 M N 0.839 120.427 119.600 -0.019 0.000 2.394 69 M HA 0.005 4.485 4.480 -0.001 0.000 0.264 69 M C 0.286 176.561 176.300 -0.042 0.000 1.073 69 M CA 0.460 55.745 55.300 -0.025 0.000 1.111 69 M CB -0.877 31.704 32.600 -0.032 0.000 1.401 69 M HN -0.020 nan 8.290 nan 0.000 0.448 70 N N 1.630 120.309 118.700 -0.034 0.000 2.412 70 N HA 0.167 4.907 4.740 -0.001 0.000 0.258 70 N C 0.917 176.410 175.510 -0.028 0.000 1.236 70 N CA 1.105 54.135 53.050 -0.034 0.000 0.882 70 N CB 0.200 38.673 38.487 -0.023 0.000 1.066 70 N HN 0.497 nan 8.380 nan 0.000 0.465 71 G N 2.012 110.791 108.800 -0.035 0.000 2.291 71 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.271 71 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.271 71 G C -0.095 174.797 174.900 -0.012 0.000 1.099 71 G CA -0.358 44.729 45.100 -0.022 0.000 0.919 71 G HN 0.550 nan 8.290 nan 0.000 0.496 72 I N 0.156 120.707 120.570 -0.031 0.000 2.498 72 I HA 0.237 4.407 4.170 -0.001 0.000 0.301 72 I C 0.042 176.179 176.117 0.034 0.000 0.984 72 I CA -1.049 60.263 61.300 0.020 0.000 1.204 72 I CB 1.084 39.111 38.000 0.044 0.000 1.362 72 I HN -0.006 nan 8.210 nan 0.000 0.471 73 D N 5.852 126.316 120.400 0.107 0.000 2.583 73 D HA -0.061 4.579 4.640 -0.001 0.000 0.232 73 D C 0.626 177.029 176.300 0.172 0.000 1.128 73 D CA 0.884 54.952 54.000 0.114 0.000 0.859 73 D CB 0.020 40.886 40.800 0.110 0.000 1.169 73 D HN 0.504 nan 8.370 nan 0.000 0.481 74 N N 0.127 118.880 118.700 0.089 0.000 2.828 74 N HA -0.243 4.497 4.740 -0.001 0.000 0.248 74 N C 0.148 175.629 175.510 -0.049 0.000 1.044 74 N CA 0.230 53.333 53.050 0.089 0.000 0.851 74 N CB -1.398 37.209 38.487 0.200 0.000 1.136 74 N HN 0.520 nan 8.380 nan 0.000 0.572 75 L N 1.694 122.784 121.223 -0.223 0.000 2.660 75 L HA -0.038 4.301 4.340 -0.001 0.000 0.272 75 L C 1.774 178.468 176.870 -0.293 0.000 1.194 75 L CA 0.438 54.999 54.840 -0.465 0.000 0.945 75 L CB 0.461 42.301 42.059 -0.364 0.000 1.212 75 L HN 0.202 nan 8.230 nan 0.000 0.490 76 R N 5.143 125.412 120.500 -0.384 0.000 2.064 76 R HA 0.082 4.421 4.340 -0.001 0.000 0.221 76 R C -0.656 175.468 176.300 -0.294 0.000 1.136 76 R CA 0.941 56.819 56.100 -0.370 0.000 0.980 76 R CB 0.213 30.155 30.300 -0.598 0.000 0.876 76 R HN 0.757 nan 8.270 nan 0.000 0.437 77 Y N -1.616 118.552 120.300 -0.221 0.000 2.702 77 Y HA 0.481 5.031 4.550 -0.001 0.000 0.336 77 Y C -1.316 174.517 175.900 -0.110 0.000 1.203 77 Y CA -1.735 56.281 58.100 -0.141 0.000 1.072 77 Y CB 1.030 39.422 38.460 -0.113 0.000 1.327 77 Y HN -0.121 nan 8.280 nan 0.000 0.456 78 I N 1.755 122.471 120.570 0.243 0.000 2.465 78 I HA 0.741 4.911 4.170 -0.001 0.000 0.291 78 I C -0.966 175.239 176.117 0.147 0.000 1.014 78 I CA -1.057 60.326 61.300 0.139 0.000 1.093 78 I CB 2.213 40.225 38.000 0.020 0.000 1.267 78 I HN 0.697 nan 8.210 nan 0.000 0.431 79 S N 2.855 118.625 115.700 0.117 0.000 2.774 79 S HA 0.581 5.050 4.470 -0.001 0.000 0.297 79 S C -0.258 174.266 174.600 -0.127 0.000 1.143 79 S CA -0.625 57.583 58.200 0.013 0.000 1.090 79 S CB 1.238 64.591 63.200 0.255 0.000 1.019 79 S HN 0.802 nan 8.310 nan 0.000 0.482 80 S N 1.445 116.987 115.700 -0.264 0.000 2.687 80 S HA 0.713 5.183 4.470 -0.001 0.000 0.283 80 S C -0.466 173.984 174.600 -0.250 0.000 1.170 80 S CA -0.688 57.390 58.200 -0.204 0.000 1.008 80 S CB 1.414 64.508 63.200 -0.176 0.000 1.026 80 S HN 0.866 nan 8.310 nan 0.000 0.541 81 E N 0.302 120.408 120.200 -0.157 0.000 2.294 81 E HA 0.387 4.736 4.350 -0.001 0.000 0.272 81 E C -1.698 174.848 176.600 -0.091 0.000 0.896 81 E CA -0.462 55.857 56.400 -0.135 0.000 0.802 81 E CB 1.731 31.378 29.700 -0.088 0.000 1.267 81 E HN 0.681 nan 8.360 nan 0.000 0.406 82 S N 3.784 119.427 115.700 -0.095 0.000 2.456 82 S HA 0.503 4.972 4.470 -0.001 0.000 0.316 82 S C -0.438 174.133 174.600 -0.047 0.000 1.089 82 S CA -0.962 57.200 58.200 -0.063 0.000 1.101 82 S CB 0.888 64.044 63.200 -0.074 0.000 0.995 82 S HN 0.438 nan 8.310 nan 0.000 0.468 83 N N 0.957 119.645 118.700 -0.021 0.000 2.432 83 N HA 0.311 5.051 4.740 -0.001 0.000 0.292 83 N C 0.753 176.260 175.510 -0.005 0.000 1.193 83 N CA -0.711 52.332 53.050 -0.011 0.000 0.878 83 N CB 1.469 39.958 38.487 0.004 0.000 1.252 83 N HN 0.579 nan 8.380 nan 0.000 0.520 84 S N -1.163 114.534 115.700 -0.005 0.000 2.603 84 S HA 0.003 4.473 4.470 -0.001 0.000 0.220 84 S C 0.253 174.852 174.600 -0.001 0.000 0.967 84 S CA 0.322 58.517 58.200 -0.008 0.000 0.920 84 S CB -0.162 63.030 63.200 -0.012 0.000 0.773 84 S HN 0.377 nan 8.310 nan 0.000 0.529 85 D N 1.726 122.133 120.400 0.012 0.000 2.371 85 D HA 0.242 4.882 4.640 -0.001 0.000 0.221 85 D C 1.639 177.951 176.300 0.020 0.000 0.986 85 D CA 1.063 55.076 54.000 0.021 0.000 0.899 85 D CB -0.471 40.351 40.800 0.036 0.000 0.902 85 D HN 0.581 nan 8.370 nan 0.000 0.530 86 G N 0.059 108.871 108.800 0.019 0.000 2.199 86 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.254 86 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.254 86 G C 0.453 175.398 174.900 0.075 0.000 0.982 86 G CA 0.396 45.521 45.100 0.042 0.000 0.632 86 G HN 0.504 nan 8.290 nan 0.000 0.529 87 S N 0.625 116.355 115.700 0.050 0.000 2.528 87 S HA 0.738 5.207 4.470 -0.001 0.000 0.277 87 S C 0.254 174.872 174.600 0.030 0.000 1.297 87 S CA -0.175 58.053 58.200 0.045 0.000 1.052 87 S CB 1.993 65.218 63.200 0.042 0.000 0.917 87 S HN 0.780 nan 8.310 nan 0.000 0.492 88 M N 3.005 122.619 119.600 0.024 0.000 2.598 88 M HA 0.590 5.069 4.480 -0.001 0.000 0.317 88 M C -1.193 175.103 176.300 -0.007 0.000 1.179 88 M CA -0.093 55.207 55.300 -0.001 0.000 0.936 88 M CB 1.950 34.545 32.600 -0.008 0.000 1.713 88 M HN 0.968 nan 8.290 nan 0.000 0.460 89 T N 5.588 120.129 114.554 -0.021 0.000 3.829 89 T HA 0.471 4.821 4.350 -0.001 0.000 0.332 89 T C -1.274 173.407 174.700 -0.031 0.000 0.845 89 T CA -0.642 61.448 62.100 -0.017 0.000 1.010 89 T CB -0.087 68.780 68.868 -0.002 0.000 1.051 89 T HN 0.654 nan 8.240 nan 0.000 0.465 90 I N 2.383 122.935 120.570 -0.030 0.000 2.385 90 I HA 0.815 4.985 4.170 -0.001 0.000 0.294 90 I C -0.162 175.952 176.117 -0.005 0.000 0.988 90 I CA -0.220 61.059 61.300 -0.034 0.000 1.265 90 I CB 1.789 39.764 38.000 -0.041 0.000 1.388 90 I HN 0.417 nan 8.210 nan 0.000 0.480 91 T N 5.661 120.220 114.554 0.009 0.000 2.786 91 T HA 0.555 4.904 4.350 -0.001 0.000 0.283 91 T C -0.363 174.371 174.700 0.056 0.000 0.992 91 T CA -0.538 61.587 62.100 0.042 0.000 0.954 91 T CB 1.297 70.202 68.868 0.061 0.000 0.934 91 T HN 0.457 nan 8.240 nan 0.000 0.440 92 V N 4.021 123.966 119.914 0.052 0.000 2.311 92 V HA 0.328 4.447 4.120 -0.001 0.000 0.275 92 V C 0.461 176.556 176.094 0.003 0.000 1.022 92 V CA -0.717 61.581 62.300 -0.004 0.000 0.830 92 V CB 0.793 32.616 31.823 -0.001 0.000 1.012 92 V HN 0.946 nan 8.190 nan 0.000 0.452 93 T N 6.212 120.689 114.554 -0.129 0.000 2.743 93 T HA 0.577 4.927 4.350 -0.001 0.000 0.293 93 T C -0.215 174.283 174.700 -0.337 0.000 0.945 93 T CA 0.103 62.084 62.100 -0.197 0.000 1.030 93 T CB 0.276 68.866 68.868 -0.462 0.000 0.912 93 T HN 0.275 nan 8.240 nan 0.000 0.483 94 F N 1.214 121.042 119.950 -0.203 0.000 2.403 94 F HA 0.526 5.052 4.527 -0.001 0.000 0.326 94 F C 1.012 176.710 175.800 -0.171 0.000 1.099 94 F CA -1.345 56.558 58.000 -0.162 0.000 1.036 94 F CB 0.618 39.560 39.000 -0.097 0.000 1.336 94 F HN 0.342 nan 8.300 nan 0.000 0.497 95 E N 0.047 120.302 120.200 0.093 0.000 2.373 95 E HA 0.084 4.434 4.350 -0.001 0.000 0.263 95 E C 0.304 176.930 176.600 0.043 0.000 1.073 95 E CA -0.079 56.337 56.400 0.027 0.000 0.894 95 E CB 0.602 30.325 29.700 0.039 0.000 1.008 95 E HN 0.329 nan 8.360 nan 0.000 0.420 96 Q N 1.651 121.472 119.800 0.035 0.000 2.624 96 Q HA -0.038 4.301 4.340 -0.001 0.000 0.219 96 Q C 0.191 176.208 176.000 0.028 0.000 0.973 96 Q CA 1.047 56.871 55.803 0.034 0.000 0.983 96 Q CB -0.004 28.764 28.738 0.052 0.000 0.992 96 Q HN 0.608 nan 8.270 nan 0.000 0.574 97 G N -0.491 108.324 108.800 0.025 0.000 4.250 97 G HA2 -0.029 3.931 3.960 -0.001 0.000 0.242 97 G HA3 -0.029 3.931 3.960 -0.001 0.000 0.242 97 G C 0.150 175.049 174.900 -0.001 0.000 1.075 97 G CA 0.120 45.226 45.100 0.010 0.000 0.846 97 G HN 0.251 nan 8.290 nan 0.000 0.445 98 T N -0.389 114.166 114.554 0.002 0.000 2.904 98 T HA 0.388 4.737 4.350 -0.001 0.000 0.290 98 T C -0.457 174.195 174.700 -0.081 0.000 1.018 98 T CA -0.316 61.769 62.100 -0.024 0.000 1.075 98 T CB 1.577 70.451 68.868 0.011 0.000 0.986 98 T HN -0.028 nan 8.240 nan 0.000 0.523 99 D N 3.550 123.892 120.400 -0.097 0.000 2.358 99 D HA 0.259 4.898 4.640 -0.001 0.000 0.258 99 D C -1.590 174.600 176.300 -0.183 0.000 1.223 99 D CA -2.229 51.704 54.000 -0.112 0.000 0.886 99 D CB 1.473 42.221 40.800 -0.085 0.000 1.120 99 D HN 0.282 nan 8.370 nan 0.000 0.482 100 P HA -0.083 nan 4.420 nan 0.000 0.220 100 P C 0.626 177.805 177.300 -0.202 0.000 1.148 100 P CA 0.700 63.670 63.100 -0.216 0.000 0.803 100 P CB 0.392 32.011 31.700 -0.136 0.000 0.782 101 D N -0.160 120.155 120.400 -0.142 0.000 2.077 101 D HA -0.129 4.510 4.640 -0.001 0.000 0.196 101 D C 1.894 178.117 176.300 -0.129 0.000 0.986 101 D CA 1.260 55.192 54.000 -0.114 0.000 0.829 101 D CB -0.795 39.959 40.800 -0.078 0.000 0.983 101 D HN 0.214 nan 8.370 nan 0.000 0.453 102 I N 0.179 120.671 120.570 -0.129 0.000 2.335 102 I HA -0.154 4.016 4.170 -0.001 0.000 0.251 102 I C 2.279 178.287 176.117 -0.182 0.000 1.129 102 I CA 1.410 62.639 61.300 -0.119 0.000 1.402 102 I CB -0.868 37.078 38.000 -0.089 0.000 1.069 102 I HN -0.118 nan 8.210 nan 0.000 0.424 103 A N 0.430 123.045 122.820 -0.341 0.000 1.883 103 A HA -0.314 4.005 4.320 -0.001 0.000 0.217 103 A C 2.492 179.869 177.584 -0.346 0.000 1.186 103 A CA 2.338 53.979 52.037 -0.659 0.000 0.624 103 A CB -0.989 17.282 19.000 -1.214 0.000 0.822 103 A HN 0.706 nan 8.150 nan 0.000 0.444 104 Q N -0.290 119.370 119.800 -0.233 0.000 1.990 104 Q HA -0.135 4.205 4.340 -0.001 0.000 0.200 104 Q C 1.974 177.936 176.000 -0.063 0.000 0.980 104 Q CA 2.221 57.957 55.803 -0.111 0.000 0.832 104 Q CB -0.322 28.360 28.738 -0.093 0.000 0.897 104 Q HN 0.356 nan 8.270 nan 0.000 0.427 105 V N 1.399 121.273 119.914 -0.067 0.000 2.363 105 V HA -0.359 3.760 4.120 -0.001 0.000 0.254 105 V C 2.375 178.457 176.094 -0.020 0.000 1.074 105 V CA 2.382 64.658 62.300 -0.040 0.000 1.069 105 V CB -0.777 31.020 31.823 -0.042 0.000 0.659 105 V HN 0.463 nan 8.190 nan 0.000 0.455 106 Q N -0.765 119.024 119.800 -0.018 0.000 1.990 106 Q HA -0.143 4.196 4.340 -0.001 0.000 0.200 106 Q C 2.430 178.461 176.000 0.051 0.000 0.980 106 Q CA 1.826 57.645 55.803 0.026 0.000 0.832 106 Q CB -0.391 28.384 28.738 0.061 0.000 0.897 106 Q HN 0.535 nan 8.270 nan 0.000 0.427 107 V N 1.587 121.549 119.914 0.080 0.000 2.250 107 V HA -0.376 3.744 4.120 -0.001 0.000 0.250 107 V C 2.340 178.455 176.094 0.035 0.000 1.060 107 V CA 2.120 64.470 62.300 0.083 0.000 1.030 107 V CB -0.756 31.129 31.823 0.103 0.000 0.643 107 V HN 0.435 nan 8.190 nan 0.000 0.445 108 Q N -0.328 119.481 119.800 0.016 0.000 2.029 108 Q HA -0.284 4.056 4.340 -0.001 0.000 0.209 108 Q C 2.241 178.243 176.000 0.004 0.000 0.999 108 Q CA 2.009 57.814 55.803 0.003 0.000 0.857 108 Q CB -0.445 28.289 28.738 -0.007 0.000 0.926 108 Q HN 0.663 nan 8.270 nan 0.000 0.415 109 N N 0.344 119.048 118.700 0.006 0.000 2.192 109 N HA -0.156 4.583 4.740 -0.001 0.000 0.188 109 N C 1.519 177.033 175.510 0.006 0.000 1.013 109 N CA 1.066 54.119 53.050 0.005 0.000 0.863 109 N CB -0.107 38.385 38.487 0.007 0.000 0.990 109 N HN 0.187 nan 8.380 nan 0.000 0.430 110 K N 0.967 121.374 120.400 0.012 0.000 2.062 110 K HA 0.063 4.383 4.320 -0.001 0.000 0.205 110 K C 2.215 178.815 176.600 0.000 0.000 1.051 110 K CA 0.128 56.420 56.287 0.008 0.000 0.941 110 K CB -0.548 31.962 32.500 0.015 0.000 0.719 110 K HN 0.220 nan 8.250 nan 0.000 0.440 111 L N 1.468 122.690 121.223 -0.000 0.000 2.079 111 L HA -0.227 4.113 4.340 -0.001 0.000 0.210 111 L C 1.779 178.642 176.870 -0.011 0.000 1.081 111 L CA 1.289 56.124 54.840 -0.008 0.000 0.752 111 L CB -0.329 41.725 42.059 -0.008 0.000 0.896 111 L HN 0.268 nan 8.230 nan 0.000 0.433 112 Q N -0.474 119.321 119.800 -0.008 0.000 2.576 112 Q HA -0.109 4.231 4.340 -0.001 0.000 0.219 112 Q C 1.173 177.168 176.000 -0.010 0.000 0.976 112 Q CA 0.543 56.341 55.803 -0.009 0.000 0.977 112 Q CB 0.065 28.799 28.738 -0.007 0.000 0.988 112 Q HN 0.559 nan 8.270 nan 0.000 0.555 113 L N -2.835 118.381 121.223 -0.011 0.000 3.154 113 L HA 0.256 4.595 4.340 -0.001 0.000 0.280 113 L C 1.573 178.433 176.870 -0.016 0.000 1.134 113 L CA 0.354 55.187 54.840 -0.012 0.000 1.037 113 L CB 0.264 42.318 42.059 -0.008 0.000 1.571 113 L HN 0.113 nan 8.230 nan 0.000 0.576 114 A N -0.504 122.304 122.820 -0.020 0.000 2.044 114 A HA 0.030 4.350 4.320 -0.001 0.000 0.213 114 A C 2.049 179.613 177.584 -0.034 0.000 1.169 114 A CA 1.320 53.341 52.037 -0.027 0.000 0.724 114 A CB -0.386 18.597 19.000 -0.029 0.000 0.840 114 A HN 0.220 nan 8.150 nan 0.000 0.463 115 T N 1.640 116.176 114.554 -0.031 0.000 2.624 115 T HA -0.122 4.227 4.350 -0.001 0.000 0.268 115 T C -0.389 174.289 174.700 -0.038 0.000 1.041 115 T CA 2.167 64.246 62.100 -0.036 0.000 1.159 115 T CB -1.318 67.533 68.868 -0.028 0.000 0.863 115 T HN 0.368 nan 8.240 nan 0.000 0.434 116 P HA 0.043 nan 4.420 nan 0.000 0.226 116 P C 0.979 178.260 177.300 -0.032 0.000 1.146 116 P CA 0.827 63.911 63.100 -0.027 0.000 0.773 116 P CB -0.307 31.382 31.700 -0.019 0.000 0.772 117 L N -2.481 118.719 121.223 -0.038 0.000 2.592 117 L HA 0.127 4.467 4.340 -0.001 0.000 0.227 117 L C 1.007 177.839 176.870 -0.062 0.000 1.127 117 L CA -0.122 54.693 54.840 -0.043 0.000 0.884 117 L CB -0.331 41.705 42.059 -0.039 0.000 1.065 117 L HN -0.014 nan 8.230 nan 0.000 0.457 118 L N 0.380 121.559 121.223 -0.074 0.000 2.421 118 L HA 0.337 4.676 4.340 -0.001 0.000 0.263 118 L C -1.978 174.818 176.870 -0.123 0.000 1.122 118 L CA -2.021 52.750 54.840 -0.114 0.000 0.804 118 L CB 0.436 42.426 42.059 -0.115 0.000 1.150 118 L HN -0.230 nan 8.230 nan 0.000 0.457 119 P HA -0.034 nan 4.420 nan 0.000 0.264 119 P C -0.129 177.122 177.300 -0.082 0.000 1.183 119 P CA 0.180 63.178 63.100 -0.169 0.000 0.763 119 P CB 0.396 31.847 31.700 -0.415 0.000 0.807 120 Q N 1.730 121.518 119.800 -0.019 0.000 2.242 120 Q HA -0.269 4.070 4.340 -0.001 0.000 0.211 120 Q C 1.601 177.613 176.000 0.021 0.000 0.992 120 Q CA 1.529 57.334 55.803 0.004 0.000 0.889 120 Q CB -0.254 28.496 28.738 0.021 0.000 0.913 120 Q HN 0.543 nan 8.270 nan 0.000 0.422 121 E N 0.426 120.662 120.200 0.061 0.000 2.017 121 E HA -0.144 4.206 4.350 -0.001 0.000 0.193 121 E C 2.302 178.941 176.600 0.065 0.000 0.997 121 E CA 1.257 57.725 56.400 0.114 0.000 0.804 121 E CB -0.776 29.108 29.700 0.307 0.000 0.757 121 E HN 0.214 nan 8.360 nan 0.000 0.448 122 V N 2.392 122.305 119.914 -0.000 0.000 2.282 122 V HA -0.307 3.813 4.120 -0.001 0.000 0.249 122 V C 2.567 178.646 176.094 -0.024 0.000 1.057 122 V CA 2.213 64.494 62.300 -0.032 0.000 1.032 122 V CB -0.831 30.907 31.823 -0.141 0.000 0.645 122 V HN 0.294 nan 8.190 nan 0.000 0.447 123 Q N -0.377 119.403 119.800 -0.035 0.000 2.268 123 Q HA -0.268 4.071 4.340 -0.001 0.000 0.210 123 Q C 2.376 178.371 176.000 -0.009 0.000 0.988 123 Q CA 1.713 57.502 55.803 -0.024 0.000 0.883 123 Q CB -0.311 28.413 28.738 -0.024 0.000 0.911 123 Q HN 0.667 nan 8.270 nan 0.000 0.430 124 R N 0.628 121.129 120.500 0.002 0.000 2.056 124 R HA -0.100 4.240 4.340 -0.001 0.000 0.227 124 R C 2.361 178.662 176.300 0.002 0.000 1.149 124 R CA 1.116 57.220 56.100 0.007 0.000 0.937 124 R CB -0.368 29.944 30.300 0.019 0.000 0.835 124 R HN 0.275 nan 8.270 nan 0.000 0.430 125 Q N 0.130 119.934 119.800 0.008 0.000 2.065 125 Q HA -0.158 4.181 4.340 -0.001 0.000 0.213 125 Q C 0.415 176.408 176.000 -0.011 0.000 1.012 125 Q CA 1.626 57.429 55.803 0.000 0.000 0.876 125 Q CB -0.288 28.459 28.738 0.015 0.000 0.954 125 Q HN 0.612 nan 8.270 nan 0.000 0.413 126 G N 0.589 109.382 108.800 -0.011 0.000 3.380 126 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.685 126 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.685 126 G C -0.547 174.344 174.900 -0.016 0.000 1.136 126 G CA -0.481 44.610 45.100 -0.015 0.000 1.011 126 G HN 0.197 nan 8.290 nan 0.000 0.471 127 I N 2.399 122.958 120.570 -0.018 0.000 2.441 127 I HA 0.298 4.468 4.170 -0.001 0.000 0.287 127 I C 1.138 177.244 176.117 -0.019 0.000 1.049 127 I CA -0.399 60.890 61.300 -0.018 0.000 1.381 127 I CB 0.742 38.729 38.000 -0.022 0.000 1.409 127 I HN 0.391 nan 8.210 nan 0.000 0.523 128 R N 5.321 125.810 120.500 -0.019 0.000 2.265 128 R HA 0.557 4.896 4.340 -0.001 0.000 0.314 128 R C -0.949 175.339 176.300 -0.021 0.000 1.053 128 R CA -0.678 55.408 56.100 -0.024 0.000 0.931 128 R CB 1.238 31.520 30.300 -0.030 0.000 1.024 128 R HN 0.365 nan 8.270 nan 0.000 0.457 129 V N 2.721 122.622 119.914 -0.021 0.000 2.417 129 V HA 0.462 4.581 4.120 -0.001 0.000 0.291 129 V C -0.012 176.066 176.094 -0.026 0.000 1.024 129 V CA -0.240 62.050 62.300 -0.017 0.000 0.861 129 V CB 1.798 33.613 31.823 -0.013 0.000 0.985 129 V HN 0.873 nan 8.190 nan 0.000 0.436 130 T N 4.315 118.854 114.554 -0.025 0.000 2.885 130 T HA 0.356 4.706 4.350 -0.001 0.000 0.322 130 T C -1.044 173.638 174.700 -0.030 0.000 1.387 130 T CA -0.822 61.256 62.100 -0.036 0.000 1.041 130 T CB 1.442 70.279 68.868 -0.050 0.000 1.287 130 T HN 0.616 nan 8.240 nan 0.000 0.491 131 K N 2.589 122.966 120.400 -0.038 0.000 2.278 131 K HA 0.513 4.832 4.320 -0.001 0.000 0.289 131 K C 0.314 176.896 176.600 -0.030 0.000 1.080 131 K CA -0.315 55.951 56.287 -0.035 0.000 0.934 131 K CB 0.519 32.993 32.500 -0.044 0.000 1.093 131 K HN 0.642 nan 8.250 nan 0.000 0.459 132 A N 3.207 126.017 122.820 -0.017 0.000 2.524 132 A HA 0.204 4.523 4.320 -0.001 0.000 0.250 132 A C 0.017 177.581 177.584 -0.032 0.000 1.078 132 A CA -0.217 51.808 52.037 -0.021 0.000 0.761 132 A CB 0.263 19.262 19.000 -0.000 0.000 1.012 132 A HN 0.460 nan 8.150 nan 0.000 0.500 133 V N 3.490 123.370 119.914 -0.057 0.000 2.735 133 V HA 0.306 4.426 4.120 -0.001 0.000 0.310 133 V C 0.648 176.667 176.094 -0.126 0.000 1.061 133 V CA -0.661 61.596 62.300 -0.072 0.000 0.913 133 V CB 2.045 33.831 31.823 -0.063 0.000 1.005 133 V HN 1.027 nan 8.190 nan 0.000 0.428 134 K N 1.196 121.521 120.400 -0.126 0.000 2.379 134 K HA 0.180 4.499 4.320 -0.001 0.000 0.194 134 K C 0.390 176.840 176.600 -0.250 0.000 1.031 134 K CA 0.034 56.205 56.287 -0.193 0.000 1.037 134 K CB 0.137 32.539 32.500 -0.164 0.000 0.824 134 K HN 0.492 nan 8.250 nan 0.000 0.516 135 N N 0.432 119.037 118.700 -0.159 0.000 2.513 135 N HA 0.233 4.973 4.740 -0.001 0.000 0.274 135 N C -1.141 174.298 175.510 -0.120 0.000 1.189 135 N CA -0.057 52.965 53.050 -0.047 0.000 0.975 135 N CB 0.456 38.982 38.487 0.065 0.000 1.157 135 N HN -0.114 nan 8.380 nan 0.000 0.465 136 F N 1.765 121.903 119.950 0.312 0.000 2.449 136 F HA 0.327 4.853 4.527 -0.001 0.000 0.342 136 F C 1.380 177.405 175.800 0.374 0.000 1.127 136 F CA -0.733 57.467 58.000 0.333 0.000 0.975 136 F CB 1.525 40.757 39.000 0.388 0.000 1.146 136 F HN 0.326 nan 8.300 nan 0.000 0.444 137 L N 4.227 125.722 121.223 0.454 0.000 1.976 137 L HA -0.022 4.318 4.340 -0.001 0.000 0.209 137 L C 0.385 177.456 176.870 0.334 0.000 1.071 137 L CA 1.255 56.288 54.840 0.321 0.000 0.746 137 L CB 0.058 42.246 42.059 0.216 0.000 0.890 137 L HN 0.651 nan 8.230 nan 0.000 0.432 138 M N -1.859 117.935 119.600 0.323 0.000 2.605 138 M HA 0.249 4.729 4.480 -0.001 0.000 0.281 138 M C -1.973 174.407 176.300 0.134 0.000 1.166 138 M CA -0.622 54.851 55.300 0.288 0.000 0.875 138 M CB 1.450 34.137 32.600 0.144 0.000 1.732 138 M HN -0.298 nan 8.290 nan 0.000 0.504 139 V N 2.742 122.656 119.914 -0.000 0.000 2.364 139 V HA 0.430 4.549 4.120 -0.001 0.000 0.272 139 V C -0.072 175.867 176.094 -0.258 0.000 1.036 139 V CA -0.644 61.492 62.300 -0.273 0.000 0.880 139 V CB 1.238 32.659 31.823 -0.671 0.000 0.991 139 V HN 0.621 nan 8.190 nan 0.000 0.460 140 V N 5.568 125.342 119.914 -0.233 0.000 2.368 140 V HA 0.625 4.745 4.120 -0.001 0.000 0.266 140 V C 0.873 176.748 176.094 -0.364 0.000 1.045 140 V CA 0.209 62.305 62.300 -0.339 0.000 0.899 140 V CB 0.927 32.604 31.823 -0.243 0.000 1.006 140 V HN 0.962 nan 8.190 nan 0.000 0.470 141 G N 3.595 112.121 108.800 -0.458 0.000 2.735 141 G HA2 0.738 4.698 3.960 -0.001 0.000 0.301 141 G HA3 0.738 4.698 3.960 -0.001 0.000 0.301 141 G C -1.405 173.331 174.900 -0.275 0.000 1.279 141 G CA -0.662 44.250 45.100 -0.313 0.000 1.019 141 G HN 0.521 nan 8.290 nan 0.000 0.497 142 V N -0.359 119.474 119.914 -0.134 0.000 2.817 142 V HA 0.485 4.605 4.120 -0.001 0.000 0.303 142 V C -0.554 175.523 176.094 -0.028 0.000 1.151 142 V CA -0.506 61.734 62.300 -0.099 0.000 0.929 142 V CB 1.902 33.694 31.823 -0.053 0.000 1.030 142 V HN 0.669 nan 8.190 nan 0.000 0.427 143 V N 2.545 122.449 119.914 -0.016 0.000 2.919 143 V HA 0.651 4.771 4.120 -0.001 0.000 0.316 143 V C 0.222 176.321 176.094 0.009 0.000 1.077 143 V CA -0.823 61.504 62.300 0.044 0.000 0.977 143 V CB 2.365 34.273 31.823 0.141 0.000 1.039 143 V HN 0.957 nan 8.190 nan 0.000 0.441 144 S N -0.321 115.388 115.700 0.014 0.000 2.411 144 S HA 0.152 4.622 4.470 -0.001 0.000 0.294 144 S C 0.816 175.420 174.600 0.008 0.000 1.115 144 S CA 0.236 58.434 58.200 -0.004 0.000 1.071 144 S CB 1.055 64.252 63.200 -0.005 0.000 0.967 144 S HN 0.909 nan 8.310 nan 0.000 0.488 145 T N 1.967 116.521 114.554 0.000 0.000 3.055 145 T HA -0.024 4.325 4.350 -0.001 0.000 0.265 145 T C 0.403 175.106 174.700 0.005 0.000 1.111 145 T CA 1.353 63.458 62.100 0.009 0.000 1.118 145 T CB -0.291 68.580 68.868 0.005 0.000 0.909 145 T HN 0.705 nan 8.240 nan 0.000 0.501 146 D N -0.021 120.378 120.400 -0.001 0.000 2.818 146 D HA 0.408 5.047 4.640 -0.001 0.000 0.250 146 D C 1.552 177.853 176.300 0.002 0.000 1.496 146 D CA 0.831 54.831 54.000 0.000 0.000 1.192 146 D CB -0.408 40.391 40.800 -0.003 0.000 0.963 146 D HN 0.353 nan 8.370 nan 0.000 0.259 147 G N -0.572 108.229 108.800 0.001 0.000 4.260 147 G HA2 -0.009 3.951 3.960 -0.001 0.000 0.204 147 G HA3 -0.009 3.951 3.960 -0.001 0.000 0.204 147 G C 0.908 175.812 174.900 0.006 0.000 0.952 147 G CA 0.393 45.496 45.100 0.005 0.000 0.815 147 G HN 0.164 nan 8.290 nan 0.000 0.465 148 S N 1.045 116.746 115.700 0.001 0.000 2.400 148 S HA 0.085 4.554 4.470 -0.001 0.000 0.232 148 S C 1.154 175.758 174.600 0.008 0.000 1.025 148 S CA 0.862 59.064 58.200 0.003 0.000 0.993 148 S CB -0.148 63.047 63.200 -0.007 0.000 0.808 148 S HN 0.381 nan 8.310 nan 0.000 0.478 149 M N 0.709 120.309 119.600 0.000 0.000 2.598 149 M HA 0.484 4.964 4.480 -0.001 0.000 0.317 149 M C 0.068 176.377 176.300 0.015 0.000 1.179 149 M CA -0.251 55.053 55.300 0.006 0.000 0.936 149 M CB 1.252 33.836 32.600 -0.026 0.000 1.713 149 M HN -0.015 nan 8.290 nan 0.000 0.460 150 T N -0.371 114.201 114.554 0.029 0.000 2.889 150 T HA 0.363 4.712 4.350 -0.001 0.000 0.278 150 T C 1.057 175.767 174.700 0.018 0.000 0.995 150 T CA -0.444 61.674 62.100 0.030 0.000 0.966 150 T CB 1.184 70.083 68.868 0.052 0.000 1.237 150 T HN 0.719 nan 8.240 nan 0.000 0.591 151 K N 0.110 120.520 120.400 0.017 0.000 2.286 151 K HA -0.132 4.188 4.320 -0.001 0.000 0.203 151 K C 1.688 178.280 176.600 -0.013 0.000 1.045 151 K CA 1.825 58.114 56.287 0.004 0.000 0.935 151 K CB 0.057 32.563 32.500 0.009 0.000 0.737 151 K HN 0.600 nan 8.250 nan 0.000 0.460 152 E N -0.321 119.874 120.200 -0.008 0.000 2.330 152 E HA -0.034 4.316 4.350 -0.001 0.000 0.200 152 E C 1.231 177.774 176.600 -0.094 0.000 0.922 152 E CA 0.066 56.432 56.400 -0.057 0.000 0.935 152 E CB 0.249 29.944 29.700 -0.009 0.000 0.917 152 E HN 0.197 nan 8.360 nan 0.000 0.491 153 D N 1.624 122.022 120.400 -0.004 0.000 2.084 153 D HA -0.124 4.515 4.640 -0.001 0.000 0.194 153 D C 2.149 178.431 176.300 -0.030 0.000 0.990 153 D CA 1.003 55.014 54.000 0.019 0.000 0.826 153 D CB -0.080 40.763 40.800 0.072 0.000 0.971 153 D HN 0.118 nan 8.370 nan 0.000 0.453 154 L N 0.631 121.842 121.223 -0.021 0.000 2.005 154 L HA -0.166 4.173 4.340 -0.001 0.000 0.207 154 L C 2.671 179.555 176.870 0.024 0.000 1.072 154 L CA 1.119 55.961 54.840 0.003 0.000 0.744 154 L CB -0.721 41.332 42.059 -0.009 0.000 0.895 154 L HN 0.006 nan 8.230 nan 0.000 0.433 155 S N 0.819 116.498 115.700 -0.034 0.000 2.380 155 S HA -0.246 4.223 4.470 -0.001 0.000 0.229 155 S C 1.713 176.231 174.600 -0.137 0.000 1.050 155 S CA 2.114 60.274 58.200 -0.068 0.000 1.100 155 S CB -0.445 62.705 63.200 -0.084 0.000 0.984 155 S HN 0.467 nan 8.310 nan 0.000 0.434 156 N N -0.040 118.496 118.700 -0.273 0.000 2.626 156 N HA -0.014 4.725 4.740 -0.001 0.000 0.193 156 N C 0.906 176.247 175.510 -0.281 0.000 1.213 156 N CA 0.667 53.447 53.050 -0.450 0.000 0.914 156 N CB -0.315 37.475 38.487 -1.161 0.000 0.994 156 N HN 0.741 nan 8.380 nan 0.000 0.447 157 Y N 1.147 121.309 120.300 -0.231 0.000 2.422 157 Y HA 0.162 4.712 4.550 -0.001 0.000 0.291 157 Y C 2.114 177.949 175.900 -0.108 0.000 1.144 157 Y CA 0.316 58.339 58.100 -0.128 0.000 1.208 157 Y CB -0.093 38.319 38.460 -0.080 0.000 1.195 157 Y HN -0.031 nan 8.280 nan 0.000 0.535 158 I N -1.491 119.007 120.570 -0.120 0.000 2.315 158 I HA -0.099 4.071 4.170 -0.001 0.000 0.248 158 I C 1.391 177.345 176.117 -0.272 0.000 1.117 158 I CA 1.285 62.453 61.300 -0.220 0.000 1.404 158 I CB -1.027 36.918 38.000 -0.091 0.000 1.071 158 I HN 0.025 nan 8.210 nan 0.000 0.419 159 V N 2.044 121.824 119.914 -0.223 0.000 3.444 159 V HA -0.079 4.040 4.120 -0.001 0.000 0.271 159 V C 1.813 177.783 176.094 -0.207 0.000 1.188 159 V CA 1.573 63.746 62.300 -0.212 0.000 1.168 159 V CB -1.063 30.664 31.823 -0.160 0.000 0.810 159 V HN 0.765 nan 8.190 nan 0.000 0.500 160 S N -2.808 112.742 115.700 -0.249 0.000 2.684 160 S HA 0.187 4.657 4.470 -0.001 0.000 0.268 160 S C 1.172 175.620 174.600 -0.253 0.000 1.075 160 S CA -0.275 57.801 58.200 -0.207 0.000 1.184 160 S CB 0.122 63.232 63.200 -0.149 0.000 1.129 160 S HN 0.467 nan 8.310 nan 0.000 0.630 161 N N 1.383 119.846 118.700 -0.396 0.000 2.419 161 N HA 0.361 5.100 4.740 -0.001 0.000 0.216 161 N C 1.414 176.748 175.510 -0.294 0.000 1.118 161 N CA 1.142 53.951 53.050 -0.401 0.000 0.850 161 N CB 0.811 38.853 38.487 -0.741 0.000 1.292 161 N HN 0.631 nan 8.380 nan 0.000 0.467 162 I N -1.989 118.392 120.570 -0.315 0.000 4.312 162 I HA 0.190 4.359 4.170 -0.001 0.000 0.324 162 I C 2.120 178.100 176.117 -0.228 0.000 1.298 162 I CA 0.086 61.257 61.300 -0.214 0.000 1.231 162 I CB 0.254 38.149 38.000 -0.175 0.000 1.152 162 I HN -0.156 nan 8.210 nan 0.000 0.421 163 Q N 1.880 121.506 119.800 -0.291 0.000 2.002 163 Q HA -0.257 4.083 4.340 -0.001 0.000 0.204 163 Q C 1.533 177.311 176.000 -0.370 0.000 0.988 163 Q CA 2.787 58.345 55.803 -0.409 0.000 0.843 163 Q CB -0.071 28.393 28.738 -0.457 0.000 0.908 163 Q HN 0.522 nan 8.270 nan 0.000 0.420 164 D N -0.002 120.250 120.400 -0.247 0.000 2.123 164 D HA -0.130 4.510 4.640 -0.001 0.000 0.196 164 D C -0.945 175.293 176.300 -0.103 0.000 0.992 164 D CA 1.410 55.322 54.000 -0.147 0.000 0.833 164 D CB -1.243 39.499 40.800 -0.096 0.000 0.954 164 D HN 0.398 nan 8.370 nan 0.000 0.455 165 P HA -0.030 nan 4.420 nan 0.000 0.219 165 P C 1.583 178.848 177.300 -0.058 0.000 1.150 165 P CA 0.703 63.766 63.100 -0.062 0.000 0.814 165 P CB 0.100 31.767 31.700 -0.055 0.000 0.787 166 L N -0.426 120.738 121.223 -0.098 0.000 2.044 166 L HA -0.099 4.240 4.340 -0.001 0.000 0.205 166 L C 2.482 179.335 176.870 -0.028 0.000 1.075 166 L CA 1.987 56.783 54.840 -0.073 0.000 0.747 166 L CB -1.316 40.670 42.059 -0.122 0.000 0.903 166 L HN 0.103 nan 8.230 nan 0.000 0.435 167 S N -0.068 115.595 115.700 -0.060 0.000 2.465 167 S HA -0.179 4.291 4.470 -0.001 0.000 0.241 167 S C 1.808 176.470 174.600 0.103 0.000 1.000 167 S CA 0.949 59.218 58.200 0.115 0.000 0.964 167 S CB -0.221 63.084 63.200 0.175 0.000 0.763 167 S HN 0.444 nan 8.310 nan 0.000 0.512 168 R N 0.156 120.680 120.500 0.041 0.000 2.476 168 R HA 0.200 4.540 4.340 -0.001 0.000 0.276 168 R C 0.262 176.577 176.300 0.025 0.000 0.941 168 R CA 0.248 56.368 56.100 0.035 0.000 1.088 168 R CB 0.586 30.899 30.300 0.021 0.000 1.216 168 R HN 0.397 nan 8.270 nan 0.000 0.533 169 T N 1.223 115.790 114.554 0.022 0.000 2.884 169 T HA 0.141 4.491 4.350 -0.001 0.000 0.298 169 T C -0.015 174.702 174.700 0.028 0.000 0.998 169 T CA -0.359 61.753 62.100 0.020 0.000 1.124 169 T CB 0.628 69.505 68.868 0.014 0.000 0.931 169 T HN -0.060 nan 8.240 nan 0.000 0.531 170 K N 3.317 123.730 120.400 0.022 0.000 2.504 170 K HA 0.318 4.638 4.320 -0.001 0.000 0.278 170 K C 1.450 178.067 176.600 0.029 0.000 1.025 170 K CA 1.358 57.659 56.287 0.023 0.000 1.093 170 K CB -0.050 32.460 32.500 0.016 0.000 0.873 170 K HN 0.931 nan 8.250 nan 0.000 0.483 171 G N 1.160 109.979 108.800 0.032 0.000 2.284 171 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.216 171 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.216 171 G C 0.004 174.935 174.900 0.052 0.000 1.009 171 G CA -0.197 44.926 45.100 0.038 0.000 0.625 171 G HN 0.449 nan 8.290 nan 0.000 0.501 172 V N 2.393 122.343 119.914 0.060 0.000 2.479 172 V HA 0.531 4.650 4.120 -0.001 0.000 0.281 172 V C 1.531 177.675 176.094 0.084 0.000 1.031 172 V CA 1.030 63.381 62.300 0.084 0.000 1.038 172 V CB 0.751 32.630 31.823 0.094 0.000 0.981 172 V HN 0.700 nan 8.190 nan 0.000 0.478 173 G N 3.605 112.456 108.800 0.085 0.000 3.223 173 G HA2 0.147 4.107 3.960 -0.001 0.000 0.198 173 G HA3 0.147 4.107 3.960 -0.001 0.000 0.198 173 G C -0.323 174.603 174.900 0.044 0.000 1.980 173 G CA -0.279 44.852 45.100 0.052 0.000 0.828 173 G HN 0.615 nan 8.290 nan 0.000 0.680 174 D N 0.292 120.695 120.400 0.005 0.000 2.390 174 D HA 0.431 5.071 4.640 -0.001 0.000 0.249 174 D C -0.073 176.253 176.300 0.044 0.000 1.144 174 D CA -0.034 53.924 54.000 -0.070 0.000 0.880 174 D CB 0.449 41.208 40.800 -0.069 0.000 1.182 174 D HN 0.173 nan 8.370 nan 0.000 0.451 175 F N 0.489 120.463 119.950 0.040 0.000 2.572 175 F HA 0.685 5.211 4.527 -0.001 0.000 0.342 175 F C -0.656 175.139 175.800 -0.009 0.000 1.064 175 F CA -0.977 57.038 58.000 0.026 0.000 1.008 175 F CB 1.287 40.272 39.000 -0.025 0.000 1.303 175 F HN 0.045 nan 8.300 nan 0.000 0.492 176 Q N 2.142 122.120 119.800 0.296 0.000 2.418 176 Q HA 0.297 4.637 4.340 -0.001 0.000 0.240 176 Q C -1.961 173.824 176.000 -0.358 0.000 0.859 176 Q CA -0.391 55.401 55.803 -0.020 0.000 0.916 176 Q CB 2.609 31.292 28.738 -0.091 0.000 1.448 176 Q HN 0.779 nan 8.270 nan 0.000 0.439 177 V N 4.142 123.913 119.914 -0.238 0.000 2.546 177 V HA 0.386 4.506 4.120 -0.001 0.000 0.284 177 V C 0.182 176.026 176.094 -0.416 0.000 1.050 177 V CA -0.102 62.016 62.300 -0.304 0.000 0.981 177 V CB 0.498 32.242 31.823 -0.132 0.000 0.990 177 V HN 0.603 nan 8.190 nan 0.000 0.474 178 F N 3.857 123.740 119.950 -0.111 0.000 2.541 178 F HA 0.644 5.171 4.527 -0.001 0.000 0.351 178 F C 1.043 176.812 175.800 -0.051 0.000 1.209 178 F CA 0.382 58.333 58.000 -0.081 0.000 1.277 178 F CB 0.531 39.529 39.000 -0.003 0.000 1.632 178 F HN 0.853 nan 8.300 nan 0.000 0.619 179 G N 0.491 109.332 108.800 0.069 0.000 2.351 179 G HA2 0.262 4.222 3.960 -0.001 0.000 0.353 179 G HA3 0.262 4.222 3.960 -0.001 0.000 0.353 179 G C -1.136 173.730 174.900 -0.056 0.000 1.358 179 G CA -0.608 44.492 45.100 -0.000 0.000 0.995 179 G HN 0.537 nan 8.290 nan 0.000 0.611 180 S N -1.120 114.516 115.700 -0.107 0.000 2.776 180 S HA 0.820 5.290 4.470 -0.001 0.000 0.306 180 S C 0.103 174.616 174.600 -0.146 0.000 1.114 180 S CA -0.224 57.906 58.200 -0.117 0.000 0.973 180 S CB 2.048 65.161 63.200 -0.146 0.000 1.250 180 S HN 1.004 nan 8.310 nan 0.000 0.549 181 Q N -1.031 118.701 119.800 -0.114 0.000 2.169 181 Q HA 0.401 4.741 4.340 -0.001 0.000 0.234 181 Q C -1.277 174.681 176.000 -0.070 0.000 0.980 181 Q CA -0.838 54.895 55.803 -0.117 0.000 0.941 181 Q CB 0.805 29.513 28.738 -0.049 0.000 1.199 181 Q HN 0.761 nan 8.270 nan 0.000 0.496 182 Y N 0.159 120.462 120.300 0.005 0.000 2.397 182 Y HA 0.134 4.684 4.550 -0.001 0.000 0.335 182 Y C -0.049 175.922 175.900 0.118 0.000 1.213 182 Y CA 0.003 58.139 58.100 0.059 0.000 1.391 182 Y CB 1.184 39.701 38.460 0.095 0.000 1.293 182 Y HN 0.452 nan 8.280 nan 0.000 0.557 183 S N 3.177 119.121 115.700 0.406 0.000 2.536 183 S HA 0.284 4.754 4.470 -0.001 0.000 0.271 183 S C -0.873 173.888 174.600 0.267 0.000 1.134 183 S CA -1.031 57.408 58.200 0.399 0.000 0.897 183 S CB 1.502 64.861 63.200 0.265 0.000 1.094 183 S HN 0.441 nan 8.310 nan 0.000 0.473 184 M N 3.359 123.040 119.600 0.135 0.000 2.685 184 M HA 0.192 4.671 4.480 -0.001 0.000 0.316 184 M C -0.132 175.963 176.300 -0.341 0.000 1.523 184 M CA 0.291 55.314 55.300 -0.461 0.000 1.472 184 M CB -0.995 30.819 32.600 -1.310 0.000 1.525 184 M HN 0.399 nan 8.290 nan 0.000 0.471 185 R N 4.496 124.827 120.500 -0.281 0.000 2.202 185 R HA 0.485 4.824 4.340 -0.001 0.000 0.334 185 R C -0.267 175.570 176.300 -0.772 0.000 1.036 185 R CA -0.299 55.491 56.100 -0.517 0.000 0.878 185 R CB 0.509 30.540 30.300 -0.447 0.000 1.067 185 R HN 0.691 nan 8.270 nan 0.000 0.457 186 I N -0.164 119.942 120.570 -0.774 0.000 2.382 186 I HA 0.456 4.625 4.170 -0.001 0.000 0.286 186 I C -0.983 174.826 176.117 -0.514 0.000 1.002 186 I CA -1.101 59.861 61.300 -0.564 0.000 1.135 186 I CB 1.133 38.942 38.000 -0.319 0.000 1.288 186 I HN 0.357 nan 8.210 nan 0.000 0.448 187 W N 6.847 128.136 121.300 -0.019 0.000 2.311 187 W HA 0.565 5.225 4.660 -0.001 0.000 0.317 187 W C -0.161 176.364 176.519 0.010 0.000 1.065 187 W CA -0.710 56.631 57.345 -0.007 0.000 1.364 187 W CB 0.734 30.181 29.460 -0.023 0.000 1.233 187 W HN 0.337 nan 8.180 nan 0.000 0.409 188 L N 3.387 124.743 121.223 0.222 0.000 2.483 188 L HA 0.081 4.420 4.340 -0.001 0.000 0.275 188 L C 0.280 177.256 176.870 0.177 0.000 1.220 188 L CA 0.445 55.404 54.840 0.199 0.000 0.833 188 L CB 0.370 42.594 42.059 0.275 0.000 1.102 188 L HN 0.334 nan 8.230 nan 0.000 0.490 189 D N 1.948 122.381 120.400 0.055 0.000 2.549 189 D HA 0.294 4.934 4.640 -0.001 0.000 0.251 189 D C -1.981 174.176 176.300 -0.238 0.000 1.153 189 D CA -2.033 51.908 54.000 -0.098 0.000 0.861 189 D CB 2.215 42.982 40.800 -0.055 0.000 1.207 189 D HN 0.043 nan 8.370 nan 0.000 0.543 190 P HA -0.069 nan 4.420 nan 0.000 0.216 190 P C 0.994 178.123 177.300 -0.286 0.000 1.153 190 P CA 1.357 64.020 63.100 -0.729 0.000 0.848 190 P CB 0.276 31.165 31.700 -1.352 0.000 0.787 191 A N 0.494 123.167 122.820 -0.244 0.000 1.858 191 A HA -0.215 4.105 4.320 -0.001 0.000 0.216 191 A C 2.023 179.567 177.584 -0.067 0.000 1.190 191 A CA 1.742 53.694 52.037 -0.142 0.000 0.617 191 A CB -1.296 17.633 19.000 -0.120 0.000 0.827 191 A HN 0.124 nan 8.150 nan 0.000 0.443 192 K N -0.498 119.887 120.400 -0.025 0.000 2.585 192 K HA 0.015 4.334 4.320 -0.001 0.000 0.194 192 K C 1.410 178.109 176.600 0.164 0.000 1.037 192 K CA 0.544 56.887 56.287 0.094 0.000 0.964 192 K CB -0.305 32.230 32.500 0.058 0.000 0.787 192 K HN 0.494 nan 8.250 nan 0.000 0.488 193 L N -0.041 121.225 121.223 0.072 0.000 2.189 193 L HA -0.068 4.271 4.340 -0.001 0.000 0.199 193 L C 1.896 178.826 176.870 0.100 0.000 1.074 193 L CA 0.455 55.357 54.840 0.105 0.000 0.783 193 L CB -0.289 41.827 42.059 0.095 0.000 0.955 193 L HN 0.073 nan 8.230 nan 0.000 0.460 194 N N 0.308 118.998 118.700 -0.016 0.000 2.094 194 N HA -0.180 4.559 4.740 -0.001 0.000 0.191 194 N C 1.849 177.304 175.510 -0.090 0.000 1.023 194 N CA 1.786 54.764 53.050 -0.119 0.000 0.857 194 N CB -0.304 37.981 38.487 -0.336 0.000 1.013 194 N HN 0.303 nan 8.380 nan 0.000 0.426 195 S N -1.161 114.493 115.700 -0.077 0.000 2.641 195 S HA -0.067 4.402 4.470 -0.001 0.000 0.239 195 S C 0.561 174.854 174.600 -0.511 0.000 0.972 195 S CA 0.613 58.664 58.200 -0.249 0.000 0.954 195 S CB -0.402 62.647 63.200 -0.251 0.000 0.767 195 S HN 0.418 nan 8.310 nan 0.000 0.539 196 Y N -0.008 120.264 120.300 -0.047 0.000 2.795 196 Y HA 0.323 4.872 4.550 -0.001 0.000 0.274 196 Y C 0.740 176.627 175.900 -0.021 0.000 1.035 196 Y CA -0.769 57.314 58.100 -0.028 0.000 1.252 196 Y CB -0.112 38.337 38.460 -0.019 0.000 1.399 196 Y HN 0.181 nan 8.280 nan 0.000 0.579 197 Q N -0.235 119.620 119.800 0.091 0.000 2.416 197 Q HA -0.212 4.128 4.340 -0.001 0.000 0.235 197 Q C -0.366 175.683 176.000 0.082 0.000 0.773 197 Q CA 0.711 56.547 55.803 0.056 0.000 1.286 197 Q CB -1.987 26.770 28.738 0.033 0.000 1.556 197 Q HN 0.426 nan 8.270 nan 0.000 0.650 198 L N 0.777 122.067 121.223 0.111 0.000 2.371 198 L HA 0.328 4.667 4.340 -0.001 0.000 0.272 198 L C 0.747 177.681 176.870 0.106 0.000 1.124 198 L CA 0.250 55.145 54.840 0.091 0.000 0.816 198 L CB 1.223 43.323 42.059 0.068 0.000 1.129 198 L HN -0.040 nan 8.230 nan 0.000 0.448 199 T N 2.564 117.176 114.554 0.097 0.000 2.895 199 T HA 0.327 4.677 4.350 -0.001 0.000 0.283 199 T C -1.764 173.000 174.700 0.107 0.000 1.014 199 T CA -1.974 60.201 62.100 0.124 0.000 1.037 199 T CB 1.691 70.622 68.868 0.105 0.000 1.006 199 T HN 0.306 nan 8.240 nan 0.000 0.468 200 P HA -0.080 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 1.259 64.415 63.100 0.094 0.000 0.849 200 P CB -0.126 31.615 31.700 0.067 0.000 0.787 201 G N 0.107 108.931 108.800 0.041 0.000 2.446 201 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.217 201 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.217 201 G C 1.170 176.079 174.900 0.015 0.000 1.168 201 G CA 1.107 46.220 45.100 0.022 0.000 0.771 201 G HN 0.193 nan 8.290 nan 0.000 0.551 202 D N 0.278 120.692 120.400 0.024 0.000 2.190 202 D HA -0.109 4.531 4.640 -0.001 0.000 0.200 202 D C 2.702 179.004 176.300 0.003 0.000 0.992 202 D CA 0.863 54.871 54.000 0.015 0.000 0.854 202 D CB -0.410 40.403 40.800 0.022 0.000 0.936 202 D HN 0.272 nan 8.370 nan 0.000 0.462 203 V N 1.160 121.076 119.914 0.004 0.000 2.358 203 V HA -0.223 3.897 4.120 -0.001 0.000 0.246 203 V C 2.663 178.744 176.094 -0.022 0.000 1.047 203 V CA 1.950 64.243 62.300 -0.010 0.000 1.035 203 V CB -0.706 31.114 31.823 -0.005 0.000 0.658 203 V HN 0.292 nan 8.190 nan 0.000 0.452 204 S N 1.374 117.059 115.700 -0.025 0.000 2.357 204 S HA -0.182 4.288 4.470 -0.001 0.000 0.221 204 S C 2.207 176.788 174.600 -0.031 0.000 1.031 204 S CA 1.443 59.618 58.200 -0.041 0.000 0.982 204 S CB -0.821 62.349 63.200 -0.049 0.000 0.853 204 S HN 0.698 nan 8.310 nan 0.000 0.458 205 S N 3.033 118.721 115.700 -0.019 0.000 2.402 205 S HA -0.083 4.386 4.470 -0.001 0.000 0.233 205 S C 2.053 176.644 174.600 -0.014 0.000 1.030 205 S CA 1.139 59.331 58.200 -0.013 0.000 1.003 205 S CB -1.150 62.047 63.200 -0.005 0.000 0.813 205 S HN 0.873 nan 8.310 nan 0.000 0.477 206 A N 2.401 125.213 122.820 -0.014 0.000 1.855 206 A HA 0.128 4.448 4.320 -0.001 0.000 0.215 206 A C 2.254 179.830 177.584 -0.013 0.000 1.191 206 A CA 1.366 53.395 52.037 -0.014 0.000 0.613 206 A CB -0.891 18.099 19.000 -0.016 0.000 0.829 206 A HN 0.555 nan 8.150 nan 0.000 0.442 207 I N -0.182 120.383 120.570 -0.009 0.000 2.194 207 I HA -0.353 3.816 4.170 -0.001 0.000 0.246 207 I C 2.357 178.472 176.117 -0.003 0.000 1.093 207 I CA 1.672 62.978 61.300 0.009 0.000 1.355 207 I CB -0.657 37.347 38.000 0.007 0.000 1.046 207 I HN 0.442 nan 8.210 nan 0.000 0.413 208 Q N 0.328 120.116 119.800 -0.020 0.000 2.541 208 Q HA -0.011 4.329 4.340 -0.001 0.000 0.215 208 Q C 1.709 177.700 176.000 -0.014 0.000 0.977 208 Q CA 0.923 56.712 55.803 -0.022 0.000 0.934 208 Q CB 0.059 28.780 28.738 -0.028 0.000 0.988 208 Q HN 0.632 nan 8.270 nan 0.000 0.521 209 A N -0.530 122.282 122.820 -0.014 0.000 2.340 209 A HA 0.095 4.415 4.320 -0.001 0.000 0.213 209 A C 1.370 178.941 177.584 -0.022 0.000 1.299 209 A CA -0.095 51.932 52.037 -0.015 0.000 0.994 209 A CB 0.606 19.597 19.000 -0.014 0.000 1.132 209 A HN 0.157 nan 8.150 nan 0.000 0.519 210 Q N -0.729 119.055 119.800 -0.027 0.000 2.217 210 Q HA 0.155 4.495 4.340 -0.001 0.000 0.217 210 Q C -0.266 175.692 176.000 -0.069 0.000 0.844 210 Q CA -0.089 55.685 55.803 -0.047 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 0.789 119.466 118.700 -0.039 0.000 2.918 211 N HA 0.226 4.965 4.740 -0.001 0.000 0.270 211 N C -1.761 173.749 175.510 -0.000 0.000 1.536 211 N CA -0.053 52.976 53.050 -0.035 0.000 0.877 211 N CB 0.832 39.350 38.487 0.052 0.000 1.190 211 N HN -0.194 nan 8.380 nan 0.000 0.492 212 V N 0.765 120.670 119.914 -0.015 0.000 3.007 212 V HA 0.473 4.592 4.120 -0.001 0.000 0.311 212 V C -0.542 175.551 176.094 -0.002 0.000 1.120 212 V CA -0.937 61.362 62.300 -0.002 0.000 0.980 212 V CB 2.403 34.222 31.823 -0.006 0.000 1.033 212 V HN 0.237 nan 8.190 nan 0.000 0.429 213 Q N 3.299 123.103 119.800 0.007 0.000 2.431 213 Q HA 0.470 4.810 4.340 -0.001 0.000 0.249 213 Q C -0.745 175.257 176.000 0.003 0.000 1.025 213 Q CA -0.409 55.397 55.803 0.005 0.000 0.835 213 Q CB 1.935 30.680 28.738 0.012 0.000 1.207 213 Q HN 0.788 nan 8.270 nan 0.000 0.490 214 I N -0.746 119.823 120.570 -0.002 0.000 2.566 214 I HA 0.339 4.508 4.170 -0.001 0.000 0.303 214 I C 0.458 176.574 176.117 -0.002 0.000 0.983 214 I CA -0.445 60.854 61.300 -0.002 0.000 1.235 214 I CB 1.472 39.469 38.000 -0.005 0.000 1.386 214 I HN 0.275 nan 8.210 nan 0.000 0.494 215 S N 2.974 118.674 115.700 -0.001 0.000 3.530 215 S HA 0.387 4.856 4.470 -0.001 0.000 0.279 215 S C 0.107 174.706 174.600 -0.002 0.000 1.280 215 S CA -0.540 57.660 58.200 -0.001 0.000 0.946 215 S CB -1.389 61.811 63.200 0.001 0.000 1.501 215 S HN 0.800 nan 8.310 nan 0.000 0.498 216 S N 2.494 118.192 115.700 -0.003 0.000 2.537 216 S HA 0.642 5.112 4.470 -0.001 0.000 0.275 216 S C 1.087 175.685 174.600 -0.003 0.000 1.272 216 S CA -0.514 57.684 58.200 -0.004 0.000 1.050 216 S CB 1.073 64.270 63.200 -0.006 0.000 0.961 216 S HN 0.726 nan 8.310 nan 0.000 0.496 217 G N 1.645 110.443 108.800 -0.003 0.000 2.519 217 G HA2 0.374 4.333 3.960 -0.001 0.000 0.161 217 G HA3 0.374 4.333 3.960 -0.001 0.000 0.161 217 G C -0.141 174.757 174.900 -0.003 0.000 1.671 217 G CA 0.063 45.161 45.100 -0.003 0.000 1.028 217 G HN 0.989 nan 8.290 nan 0.000 0.486 218 Q N -1.757 118.041 119.800 -0.003 0.000 2.472 218 Q HA 0.514 4.854 4.340 -0.001 0.000 0.281 218 Q C -1.453 174.545 176.000 -0.003 0.000 0.997 218 Q CA -0.924 54.877 55.803 -0.003 0.000 0.828 218 Q CB 1.391 30.128 28.738 -0.003 0.000 1.443 218 Q HN 0.345 nan 8.270 nan 0.000 0.390 219 L N 1.798 123.019 121.223 -0.003 0.000 2.418 219 L HA 0.429 4.768 4.340 -0.001 0.000 0.274 219 L C 1.159 178.027 176.870 -0.003 0.000 1.135 219 L CA 1.035 55.873 54.840 -0.003 0.000 0.870 219 L CB 0.325 42.382 42.059 -0.004 0.000 1.154 219 L HN 1.143 nan 8.230 nan 0.000 0.462 220 G N 2.269 111.067 108.800 -0.003 0.000 2.143 220 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.249 220 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.249 220 G C 0.568 175.466 174.900 -0.002 0.000 0.981 220 G CA -0.136 44.963 45.100 -0.002 0.000 0.665 220 G HN 0.994 nan 8.290 nan 0.000 0.528 221 G N -0.684 108.115 108.800 -0.002 0.000 2.614 221 G HA2 0.485 4.444 3.960 -0.001 0.000 0.239 221 G HA3 0.485 4.444 3.960 -0.001 0.000 0.239 221 G C 0.493 175.392 174.900 -0.002 0.000 1.240 221 G CA -0.334 44.765 45.100 -0.002 0.000 0.842 221 G HN 0.677 nan 8.290 nan 0.000 0.584 222 L N 1.329 122.551 121.223 -0.002 0.000 2.375 222 L HA 0.283 4.623 4.340 -0.001 0.000 0.271 222 L C -1.484 175.386 176.870 -0.001 0.000 1.107 222 L CA -1.501 53.338 54.840 -0.001 0.000 0.806 222 L CB 0.863 42.921 42.059 -0.001 0.000 1.146 222 L HN 0.381 nan 8.230 nan 0.000 0.447 223 P HA 0.410 nan 4.420 nan 0.000 0.275 223 P C -0.977 176.322 177.300 -0.001 0.000 1.228 223 P CA -0.379 62.720 63.100 -0.001 0.000 0.786 223 P CB 1.109 32.808 31.700 -0.001 0.000 0.927 224 A N 1.592 124.411 122.820 -0.001 0.000 2.346 224 A HA 0.632 4.951 4.320 -0.001 0.000 0.313 224 A C -0.613 176.970 177.584 -0.001 0.000 1.140 224 A CA -0.716 51.320 52.037 -0.001 0.000 0.826 224 A CB 0.971 19.970 19.000 -0.002 0.000 1.332 224 A HN 0.361 nan 8.150 nan 0.000 0.457 225 V N 1.698 121.612 119.914 -0.001 0.000 2.607 225 V HA 0.153 4.272 4.120 -0.001 0.000 0.289 225 V C 0.539 176.632 176.094 -0.001 0.000 1.053 225 V CA -0.603 61.696 62.300 -0.001 0.000 0.996 225 V CB 1.170 32.992 31.823 -0.002 0.000 0.995 225 V HN 0.835 nan 8.190 nan 0.000 0.476 226 K N 2.984 123.384 120.400 -0.001 0.000 2.504 226 K HA 0.166 4.486 4.320 -0.001 0.000 0.278 226 K C 1.286 177.885 176.600 -0.001 0.000 1.025 226 K CA 1.101 57.387 56.287 -0.001 0.000 1.093 226 K CB -0.003 32.496 32.500 -0.001 0.000 0.873 226 K HN 1.147 nan 8.250 nan 0.000 0.483 227 G N 1.750 110.550 108.800 -0.001 0.000 2.241 227 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.244 227 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.244 227 G C 0.155 175.054 174.900 -0.002 0.000 0.998 227 G CA -0.283 44.816 45.100 -0.001 0.000 0.621 227 G HN 0.563 nan 8.290 nan 0.000 0.519 228 Q N 0.712 120.511 119.800 -0.002 0.000 2.269 228 Q HA 0.185 4.524 4.340 -0.001 0.000 0.300 228 Q C 1.083 177.081 176.000 -0.002 0.000 1.070 228 Q CA 1.033 56.834 55.803 -0.002 0.000 0.957 228 Q CB 0.517 29.254 28.738 -0.002 0.000 1.131 228 Q HN 0.749 nan 8.270 nan 0.000 0.377 229 Q N 2.869 122.668 119.800 -0.002 0.000 2.140 229 Q HA 0.222 4.561 4.340 -0.001 0.000 0.227 229 Q C -0.253 175.745 176.000 -0.002 0.000 0.798 229 Q CA -0.145 55.657 55.803 -0.002 0.000 0.987 229 Q CB 0.850 29.587 28.738 -0.002 0.000 1.161 229 Q HN 0.525 nan 8.270 nan 0.000 0.480 230 L N 1.091 122.313 121.223 -0.002 0.000 2.307 230 L HA 0.583 4.922 4.340 -0.001 0.000 0.284 230 L C -1.126 175.742 176.870 -0.003 0.000 1.023 230 L CA -0.487 54.351 54.840 -0.002 0.000 0.810 230 L CB 1.164 43.221 42.059 -0.003 0.000 1.231 230 L HN -0.127 nan 8.230 nan 0.000 0.423 231 N N 4.202 122.901 118.700 -0.003 0.000 2.430 231 N HA 0.832 5.571 4.740 -0.001 0.000 0.290 231 N C -1.733 173.775 175.510 -0.003 0.000 1.063 231 N CA 0.030 53.078 53.050 -0.003 0.000 0.883 231 N CB 2.196 40.681 38.487 -0.002 0.000 1.465 231 N HN 0.960 nan 8.380 nan 0.000 0.493 232 A N 1.551 124.369 122.820 -0.003 0.000 2.574 232 A HA 0.575 4.895 4.320 -0.001 0.000 0.297 232 A C -0.735 176.847 177.584 -0.004 0.000 1.062 232 A CA -0.747 51.288 52.037 -0.003 0.000 0.686 232 A CB 0.709 19.707 19.000 -0.004 0.000 1.285 232 A HN 0.660 nan 8.150 nan 0.000 0.403 233 T N 0.873 115.425 114.554 -0.004 0.000 2.727 233 T HA 0.473 4.823 4.350 -0.001 0.000 0.295 233 T C 0.492 175.189 174.700 -0.004 0.000 0.915 233 T CA -0.234 61.864 62.100 -0.004 0.000 1.066 233 T CB -0.524 68.342 68.868 -0.003 0.000 0.891 233 T HN 1.231 nan 8.240 nan 0.000 0.516 234 I N 3.633 124.200 120.570 -0.005 0.000 2.533 234 I HA 0.430 4.600 4.170 -0.001 0.000 0.284 234 I C 0.036 176.149 176.117 -0.006 0.000 1.109 234 I CA -0.738 60.559 61.300 -0.005 0.000 1.412 234 I CB 0.246 38.242 38.000 -0.005 0.000 1.396 234 I HN 0.802 nan 8.210 nan 0.000 0.543 235 I N 5.654 126.220 120.570 -0.007 0.000 2.378 235 I HA 0.826 4.996 4.170 -0.001 0.000 0.291 235 I C 0.119 176.230 176.117 -0.010 0.000 0.992 235 I CA -0.280 61.015 61.300 -0.008 0.000 1.154 235 I CB 1.564 39.560 38.000 -0.007 0.000 1.315 235 I HN 0.775 nan 8.210 nan 0.000 0.448 236 G N 5.948 114.742 108.800 -0.010 0.000 3.407 236 G HA2 0.295 4.254 3.960 -0.001 0.000 0.187 236 G HA3 0.295 4.254 3.960 -0.001 0.000 0.187 236 G C -0.537 174.353 174.900 -0.016 0.000 1.262 236 G CA -0.698 44.394 45.100 -0.013 0.000 0.808 236 G HN 0.536 nan 8.290 nan 0.000 0.687 237 K N 1.135 121.525 120.400 -0.018 0.000 2.550 237 K HA 0.193 4.512 4.320 -0.001 0.000 0.280 237 K C 0.120 176.708 176.600 -0.020 0.000 0.987 237 K CA 0.506 56.779 56.287 -0.023 0.000 1.048 237 K CB 0.582 33.069 32.500 -0.022 0.000 0.879 237 K HN 0.596 nan 8.250 nan 0.000 0.491 238 T N 1.483 116.020 114.554 -0.027 0.000 2.883 238 T HA 0.377 4.726 4.350 -0.001 0.000 0.296 238 T C -0.502 174.181 174.700 -0.029 0.000 1.117 238 T CA -0.945 61.142 62.100 -0.021 0.000 1.006 238 T CB 1.280 70.136 68.868 -0.019 0.000 1.191 238 T HN 0.510 nan 8.240 nan 0.000 0.508 239 R N 2.113 122.610 120.500 -0.005 0.000 2.347 239 R HA 0.372 4.711 4.340 -0.001 0.000 0.304 239 R C -0.003 176.284 176.300 -0.022 0.000 1.072 239 R CA -0.365 55.741 56.100 0.011 0.000 0.980 239 R CB 0.234 30.579 30.300 0.075 0.000 0.986 239 R HN 0.543 nan 8.270 nan 0.000 0.448 240 L N 3.726 124.867 121.223 -0.137 0.000 2.453 240 L HA -0.010 4.329 4.340 -0.001 0.000 0.272 240 L C 1.233 178.051 176.870 -0.087 0.000 1.182 240 L CA 0.169 54.831 54.840 -0.296 0.000 0.858 240 L CB 0.388 41.954 42.059 -0.822 0.000 1.120 240 L HN 0.662 nan 8.230 nan 0.000 0.474 241 Q N 0.930 120.727 119.800 -0.005 0.000 2.525 241 Q HA 0.069 4.409 4.340 -0.001 0.000 0.203 241 Q C 0.739 176.848 176.000 0.182 0.000 0.947 241 Q CA 0.169 56.092 55.803 0.201 0.000 0.881 241 Q CB 0.153 28.978 28.738 0.145 0.000 1.049 241 Q HN 0.741 nan 8.270 nan 0.000 0.600 242 T N 0.174 114.767 114.554 0.065 0.000 2.926 242 T HA 0.189 4.539 4.350 -0.001 0.000 0.307 242 T C 1.120 175.872 174.700 0.086 0.000 1.059 242 T CA 0.380 62.514 62.100 0.057 0.000 1.122 242 T CB 1.045 69.923 68.868 0.016 0.000 0.972 242 T HN 0.345 nan 8.240 nan 0.000 0.545 243 A N 3.729 126.591 122.820 0.071 0.000 1.986 243 A HA -0.110 4.210 4.320 -0.001 0.000 0.220 243 A C 2.111 179.759 177.584 0.106 0.000 1.171 243 A CA 1.972 54.062 52.037 0.089 0.000 0.640 243 A CB -0.575 18.420 19.000 -0.009 0.000 0.811 243 A HN 0.982 nan 8.150 nan 0.000 0.451 244 E N -0.347 119.875 120.200 0.037 0.000 2.077 244 E HA -0.236 4.114 4.350 -0.001 0.000 0.193 244 E C 2.129 178.712 176.600 -0.029 0.000 0.989 244 E CA 1.339 57.742 56.400 0.006 0.000 0.800 244 E CB -0.270 29.424 29.700 -0.010 0.000 0.746 244 E HN 0.785 nan 8.360 nan 0.000 0.452 245 Q N -0.194 119.549 119.800 -0.095 0.000 2.291 245 Q HA -0.121 4.219 4.340 -0.001 0.000 0.206 245 Q C 1.513 177.334 176.000 -0.298 0.000 0.976 245 Q CA 0.985 56.657 55.803 -0.218 0.000 0.875 245 Q CB -0.125 28.420 28.738 -0.321 0.000 0.927 245 Q HN 0.295 nan 8.270 nan 0.000 0.450 246 F N 0.377 120.258 119.950 -0.115 0.000 2.780 246 F HA 0.006 4.533 4.527 -0.000 0.000 0.299 246 F C 1.749 177.486 175.800 -0.105 0.000 1.146 246 F CA 0.517 58.439 58.000 -0.130 0.000 1.428 246 F CB 0.308 39.196 39.000 -0.187 0.000 1.115 246 F HN 0.070 nan 8.300 nan 0.000 0.583 247 E N -0.188 120.040 120.200 0.047 0.000 2.140 247 E HA -0.053 4.296 4.350 -0.001 0.000 0.191 247 E C 0.903 177.489 176.600 -0.023 0.000 0.973 247 E CA 0.460 56.865 56.400 0.009 0.000 0.829 247 E CB -0.065 29.637 29.700 0.003 0.000 0.781 247 E HN 0.240 nan 8.360 nan 0.000 0.466 248 N N 1.387 120.061 118.700 -0.044 0.000 2.413 248 N HA 0.063 4.803 4.740 -0.001 0.000 0.207 248 N C -0.118 175.357 175.510 -0.059 0.000 1.206 248 N CA 0.248 53.267 53.050 -0.052 0.000 0.832 248 N CB -0.213 38.239 38.487 -0.058 0.000 1.037 248 N HN 0.276 nan 8.380 nan 0.000 0.467 249 I N -1.495 119.043 120.570 -0.055 0.000 2.371 249 I HA 0.235 4.405 4.170 -0.001 0.000 0.290 249 I C -0.264 175.825 176.117 -0.046 0.000 1.028 249 I CA -0.707 60.561 61.300 -0.053 0.000 1.345 249 I CB 0.659 38.635 38.000 -0.041 0.000 1.407 249 I HN -0.257 nan 8.210 nan 0.000 0.501 250 L N 6.838 128.035 121.223 -0.043 0.000 2.325 250 L HA 0.237 4.577 4.340 -0.001 0.000 0.284 250 L C 1.121 177.970 176.870 -0.035 0.000 1.089 250 L CA -0.321 54.496 54.840 -0.038 0.000 0.836 250 L CB 0.881 42.922 42.059 -0.029 0.000 1.184 250 L HN 0.759 nan 8.230 nan 0.000 0.444 251 L N 2.348 123.544 121.223 -0.045 0.000 2.049 251 L HA 0.073 4.413 4.340 -0.001 0.000 0.203 251 L C 0.788 177.647 176.870 -0.019 0.000 1.074 251 L CA 1.237 56.054 54.840 -0.037 0.000 0.749 251 L CB -0.274 41.749 42.059 -0.060 0.000 0.907 251 L HN 0.582 nan 8.230 nan 0.000 0.439 252 K N -0.506 119.885 120.400 -0.014 0.000 2.542 252 K HA 0.448 4.768 4.320 -0.001 0.000 0.259 252 K C -1.424 175.187 176.600 0.018 0.000 0.932 252 K CA -0.547 55.745 56.287 0.008 0.000 0.820 252 K CB 3.370 35.885 32.500 0.026 0.000 1.345 252 K HN -0.269 nan 8.250 nan 0.000 0.432 253 V N 2.527 122.451 119.914 0.017 0.000 2.509 253 V HA 0.226 4.345 4.120 -0.001 0.000 0.284 253 V C 0.062 176.174 176.094 0.030 0.000 1.047 253 V CA -0.897 61.415 62.300 0.020 0.000 0.952 253 V CB 1.224 33.053 31.823 0.010 0.000 0.988 253 V HN 0.631 nan 8.190 nan 0.000 0.469 254 N N 4.758 123.480 118.700 0.036 0.000 2.524 254 N HA 0.344 5.084 4.740 -0.001 0.000 0.283 254 N C -2.306 173.216 175.510 0.019 0.000 1.142 254 N CA -1.792 51.278 53.050 0.034 0.000 0.984 254 N CB 1.242 39.755 38.487 0.044 0.000 1.155 254 N HN 0.381 nan 8.380 nan 0.000 0.467 255 P HA 0.145 nan 4.420 nan 0.000 0.249 255 P C -0.792 176.510 177.300 0.003 0.000 1.686 255 P CA 0.360 63.464 63.100 0.006 0.000 0.873 255 P CB -0.258 31.444 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 0.128 4.767 4.640 -0.001 0.000 0.292 256 D C 0.872 177.174 176.300 0.005 0.000 1.652 256 D CA 0.095 54.097 54.000 0.003 0.000 0.803 256 D CB -0.323 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 1.542 110.345 108.800 0.006 0.000 3.400 257 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.209 257 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.209 257 G C 0.511 175.416 174.900 0.010 0.000 1.411 257 G CA 0.344 45.447 45.100 0.006 0.000 0.917 257 G HN 1.128 nan 8.290 nan 0.000 0.570 258 S N 0.834 116.544 115.700 0.015 0.000 2.587 258 S HA 0.577 5.046 4.470 -0.001 0.000 0.260 258 S C -0.047 174.569 174.600 0.027 0.000 1.353 258 S CA 0.963 59.177 58.200 0.022 0.000 0.995 258 S CB 1.238 64.458 63.200 0.033 0.000 0.912 258 S HN 0.904 nan 8.310 nan 0.000 0.568 259 Q N -0.114 119.702 119.800 0.027 0.000 2.359 259 Q HA 0.553 4.893 4.340 -0.001 0.000 0.274 259 Q C -1.492 174.518 176.000 0.017 0.000 1.074 259 Q CA -0.905 54.910 55.803 0.020 0.000 0.810 259 Q CB 2.294 31.033 28.738 0.002 0.000 1.342 259 Q HN 0.587 nan 8.270 nan 0.000 0.427 260 V N 2.605 122.524 119.914 0.008 0.000 2.488 260 V HA 0.342 4.462 4.120 -0.001 0.000 0.277 260 V C 0.334 176.362 176.094 -0.110 0.000 1.046 260 V CA -0.104 62.154 62.300 -0.070 0.000 0.986 260 V CB 0.605 32.368 31.823 -0.101 0.000 0.989 260 V HN 0.653 nan 8.190 nan 0.000 0.475 261 R N 2.736 123.149 120.500 -0.144 0.000 3.024 261 R HA 0.484 4.824 4.340 -0.001 0.000 0.224 261 R C 0.790 177.011 176.300 -0.132 0.000 1.490 261 R CA -1.024 55.011 56.100 -0.107 0.000 1.057 261 R CB 0.421 30.679 30.300 -0.071 0.000 1.723 261 R HN 0.429 nan 8.270 nan 0.000 0.520 262 L N 1.613 122.786 121.223 -0.084 0.000 2.127 262 L HA -0.006 4.333 4.340 -0.001 0.000 0.203 262 L C 1.726 178.555 176.870 -0.069 0.000 1.080 262 L CA 1.832 56.630 54.840 -0.070 0.000 0.768 262 L CB -0.653 41.389 42.059 -0.028 0.000 0.924 262 L HN 0.540 nan 8.230 nan 0.000 0.444 263 K N -0.002 120.366 120.400 -0.053 0.000 2.113 263 K HA -0.202 4.118 4.320 -0.001 0.000 0.208 263 K C 1.350 177.920 176.600 -0.050 0.000 1.047 263 K CA 1.783 58.050 56.287 -0.034 0.000 0.928 263 K CB -0.288 32.198 32.500 -0.023 0.000 0.716 263 K HN 0.362 nan 8.250 nan 0.000 0.446 264 D N 0.297 120.635 120.400 -0.103 0.000 2.312 264 D HA -0.059 4.581 4.640 -0.001 0.000 0.211 264 D C 1.681 177.873 176.300 -0.180 0.000 0.964 264 D CA 0.773 54.692 54.000 -0.134 0.000 0.877 264 D CB 0.201 40.858 40.800 -0.238 0.000 0.924 264 D HN 0.084 nan 8.370 nan 0.000 0.515 265 V N -0.413 119.396 119.914 -0.176 0.000 3.455 265 V HA 0.438 4.557 4.120 -0.001 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 0.456 32.182 31.823 -0.161 0.000 0.850 265 V HN 0.228 nan 8.190 nan 0.000 0.461 266 A N -0.728 122.079 122.820 -0.021 0.000 2.602 266 A HA 0.679 4.998 4.320 -0.001 0.000 0.290 266 A C -1.820 175.789 177.584 0.042 0.000 1.114 266 A CA -0.492 51.563 52.037 0.030 0.000 0.683 266 A CB 1.265 20.284 19.000 0.032 0.000 1.281 266 A HN 0.104 nan 8.150 nan 0.000 0.416 267 D N -0.817 119.646 120.400 0.106 0.000 2.423 267 D HA 0.663 5.303 4.640 -0.001 0.000 0.255 267 D C -0.570 175.776 176.300 0.075 0.000 1.174 267 D CA 0.159 54.232 54.000 0.121 0.000 1.008 267 D CB 1.592 42.520 40.800 0.214 0.000 1.101 267 D HN 0.335 nan 8.370 nan 0.000 0.516 268 V N -0.942 119.010 119.914 0.063 0.000 3.087 268 V HA 0.872 4.991 4.120 -0.001 0.000 0.306 268 V C -0.091 176.010 176.094 0.012 0.000 1.187 268 V CA -0.465 61.823 62.300 -0.020 0.000 0.999 268 V CB 2.120 33.929 31.823 -0.024 0.000 1.049 268 V HN 0.763 nan 8.190 nan 0.000 0.431 269 G N 2.077 110.847 108.800 -0.049 0.000 2.368 269 G HA2 0.294 4.253 3.960 -0.001 0.000 0.301 269 G HA3 0.294 4.253 3.960 -0.001 0.000 0.301 269 G C -1.538 173.343 174.900 -0.032 0.000 1.640 269 G CA -1.053 44.040 45.100 -0.012 0.000 0.941 269 G HN 0.715 nan 8.290 nan 0.000 0.695 270 L N 1.701 122.890 121.223 -0.056 0.000 2.584 270 L HA 0.416 4.756 4.340 -0.001 0.000 0.272 270 L C 1.426 178.353 176.870 0.096 0.000 1.195 270 L CA 1.062 55.866 54.840 -0.060 0.000 0.920 270 L CB 0.279 42.176 42.059 -0.270 0.000 1.173 270 L HN 0.888 nan 8.230 nan 0.000 0.489 271 G N 2.096 111.030 108.800 0.223 0.000 3.364 271 G HA2 0.739 4.699 3.960 -0.001 0.000 0.191 271 G HA3 0.739 4.699 3.960 -0.001 0.000 0.191 271 G C -0.383 174.709 174.900 0.320 0.000 1.352 271 G CA 0.189 45.520 45.100 0.385 0.000 0.758 271 G HN 0.748 nan 8.290 nan 0.000 0.730 272 G N -1.811 107.075 108.800 0.144 0.000 2.708 272 G HA2 0.468 4.427 3.960 -0.001 0.000 0.289 272 G HA3 0.468 4.427 3.960 -0.001 0.000 0.289 272 G C -0.088 174.752 174.900 -0.100 0.000 1.416 272 G CA -0.134 44.899 45.100 -0.111 0.000 0.829 272 G HN 0.376 nan 8.290 nan 0.000 0.480 273 Q N -0.813 118.892 119.800 -0.159 0.000 2.123 273 Q HA 0.106 4.445 4.340 -0.001 0.000 0.196 273 Q C -0.450 175.440 176.000 -0.183 0.000 0.958 273 Q CA 1.042 56.686 55.803 -0.266 0.000 0.841 273 Q CB 0.296 28.934 28.738 -0.165 0.000 0.915 273 Q HN 0.545 nan 8.270 nan 0.000 0.455 274 D N -0.899 119.422 120.400 -0.132 0.000 2.549 274 D HA 0.167 4.806 4.640 -0.001 0.000 0.251 274 D C -1.065 175.196 176.300 -0.064 0.000 1.153 274 D CA -0.372 53.612 54.000 -0.026 0.000 0.861 274 D CB 0.908 41.706 40.800 -0.004 0.000 1.207 274 D HN 0.038 nan 8.370 nan 0.000 0.543 275 Y N 0.810 121.136 120.300 0.043 0.000 2.495 275 Y HA 0.064 4.614 4.550 -0.001 0.000 0.293 275 Y C 1.998 177.928 175.900 0.050 0.000 1.186 275 Y CA -0.119 58.014 58.100 0.054 0.000 1.266 275 Y CB 0.100 38.599 38.460 0.066 0.000 1.101 275 Y HN 0.363 nan 8.280 nan 0.000 0.517 276 S N -0.409 115.385 115.700 0.157 0.000 2.339 276 S HA 0.017 4.487 4.470 -0.001 0.000 0.213 276 S C 0.798 175.470 174.600 0.120 0.000 1.033 276 S CA 0.189 58.468 58.200 0.132 0.000 0.950 276 S CB -0.626 62.649 63.200 0.125 0.000 0.893 276 S HN 0.241 nan 8.310 nan 0.000 0.492 277 I N 3.768 124.415 120.570 0.128 0.000 2.453 277 I HA 0.169 4.338 4.170 -0.001 0.000 0.300 277 I C -0.753 175.434 176.117 0.117 0.000 1.159 277 I CA -0.235 61.165 61.300 0.167 0.000 1.379 277 I CB -0.860 37.271 38.000 0.217 0.000 1.460 277 I HN 0.191 nan 8.210 nan 0.000 0.601 278 N N 5.240 123.983 118.700 0.072 0.000 2.456 278 N HA 0.697 5.436 4.740 -0.001 0.000 0.288 278 N C -0.444 175.030 175.510 -0.061 0.000 1.059 278 N CA -0.425 52.635 53.050 0.015 0.000 0.946 278 N CB 1.990 40.481 38.487 0.008 0.000 1.150 278 N HN 0.586 nan 8.380 nan 0.000 0.479 279 A N 1.316 124.071 122.820 -0.107 0.000 2.401 279 A HA 0.708 5.028 4.320 -0.001 0.000 0.310 279 A C -1.071 176.330 177.584 -0.305 0.000 1.075 279 A CA -0.642 51.214 52.037 -0.301 0.000 0.746 279 A CB 1.251 20.080 19.000 -0.284 0.000 1.277 279 A HN 0.610 nan 8.150 nan 0.000 0.425 280 Q N 0.670 120.179 119.800 -0.485 0.000 2.269 280 Q HA 0.336 4.675 4.340 -0.001 0.000 0.263 280 Q C -1.834 173.974 176.000 -0.321 0.000 0.983 280 Q CA -0.320 55.305 55.803 -0.297 0.000 0.777 280 Q CB 2.607 31.224 28.738 -0.202 0.000 1.273 280 Q HN 0.650 nan 8.270 nan 0.000 0.440 281 F N 3.857 123.671 119.950 -0.228 0.000 2.335 281 F HA 0.300 4.826 4.527 -0.001 0.000 0.365 281 F C 0.209 176.005 175.800 -0.006 0.000 1.122 281 F CA -0.090 57.893 58.000 -0.027 0.000 1.151 281 F CB -0.093 39.014 39.000 0.178 0.000 1.282 281 F HN 0.817 nan 8.300 nan 0.000 0.513 282 N N 4.034 122.430 118.700 -0.507 0.000 2.818 282 N HA -0.200 4.540 4.740 -0.001 0.000 0.250 282 N C 0.840 176.206 175.510 -0.240 0.000 1.108 282 N CA 0.410 53.179 53.050 -0.468 0.000 0.745 282 N CB -1.178 36.880 38.487 -0.715 0.000 1.104 282 N HN 1.152 nan 8.380 nan 0.000 0.557 283 G N -0.480 108.217 108.800 -0.172 0.000 3.586 283 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.212 283 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.212 283 G C 0.113 174.963 174.900 -0.083 0.000 1.411 283 G CA 0.289 45.322 45.100 -0.112 0.000 0.898 283 G HN 1.263 nan 8.290 nan 0.000 0.575 284 S N 3.204 118.863 115.700 -0.067 0.000 2.546 284 S HA 0.464 4.934 4.470 -0.001 0.000 0.290 284 S C -2.069 172.526 174.600 -0.008 0.000 1.262 284 S CA -0.099 58.085 58.200 -0.026 0.000 1.083 284 S CB 0.899 64.097 63.200 -0.004 0.000 0.859 284 S HN 0.480 nan 8.310 nan 0.000 0.495 285 P HA 0.252 nan 4.420 nan 0.000 0.261 285 P C -0.248 177.062 177.300 0.016 0.000 1.165 285 P CA 0.537 63.628 63.100 -0.015 0.000 0.759 285 P CB 0.225 31.921 31.700 -0.008 0.000 0.772 286 A N 2.452 125.279 122.820 0.013 0.000 2.529 286 A HA 0.850 5.170 4.320 -0.001 0.000 0.296 286 A C -0.894 176.725 177.584 0.058 0.000 1.205 286 A CA -0.143 51.930 52.037 0.061 0.000 0.671 286 A CB 1.419 20.514 19.000 0.158 0.000 1.301 286 A HN 0.535 nan 8.150 nan 0.000 0.450 287 S N -1.207 114.560 115.700 0.111 0.000 2.558 287 S HA 0.774 5.244 4.470 -0.001 0.000 0.277 287 S C -0.472 174.217 174.600 0.149 0.000 1.143 287 S CA 0.302 58.601 58.200 0.164 0.000 0.865 287 S CB 0.981 64.236 63.200 0.092 0.000 1.102 287 S HN 2.523 nan 8.310 nan 0.000 0.454 288 G N 1.110 110.040 108.800 0.215 0.000 2.687 288 G HA2 0.674 4.633 3.960 -0.001 0.000 0.291 288 G HA3 0.674 4.633 3.960 -0.001 0.000 0.291 288 G C -1.270 173.630 174.900 0.001 0.000 1.420 288 G CA -0.992 44.124 45.100 0.028 0.000 0.796 288 G HN 0.964 nan 8.290 nan 0.000 0.485 289 I N 0.445 120.928 120.570 -0.146 0.000 2.428 289 I HA 0.581 4.751 4.170 -0.001 0.000 0.296 289 I C 0.518 176.470 176.117 -0.275 0.000 0.985 289 I CA -0.887 60.275 61.300 -0.230 0.000 1.260 289 I CB 1.910 39.782 38.000 -0.212 0.000 1.389 289 I HN 0.505 nan 8.210 nan 0.000 0.484 290 A N 7.817 130.374 122.820 -0.439 0.000 2.249 290 A HA 0.673 4.993 4.320 -0.001 0.000 0.314 290 A C -0.160 177.386 177.584 -0.065 0.000 1.290 290 A CA -0.603 51.131 52.037 -0.505 0.000 0.893 290 A CB 0.205 18.465 19.000 -1.234 0.000 1.165 290 A HN 0.749 nan 8.150 nan 0.000 0.530 291 I N -0.732 119.913 120.570 0.125 0.000 2.577 291 I HA 0.652 4.822 4.170 -0.001 0.000 0.305 291 I C -0.535 175.831 176.117 0.415 0.000 0.986 291 I CA -0.803 60.660 61.300 0.271 0.000 1.189 291 I CB 1.798 39.898 38.000 0.167 0.000 1.355 291 I HN 0.448 nan 8.210 nan 0.000 0.476 292 K N 4.929 125.506 120.400 0.294 0.000 2.324 292 K HA 0.525 4.844 4.320 -0.001 0.000 0.253 292 K C -0.939 175.739 176.600 0.130 0.000 0.932 292 K CA -0.865 55.538 56.287 0.194 0.000 0.799 292 K CB 2.782 35.320 32.500 0.064 0.000 1.154 292 K HN 0.569 nan 8.250 nan 0.000 0.425 293 L N 2.410 123.701 121.223 0.113 0.000 2.525 293 L HA 0.016 4.356 4.340 -0.001 0.000 0.278 293 L C 0.382 177.283 176.870 0.051 0.000 1.218 293 L CA 0.010 54.899 54.840 0.083 0.000 0.878 293 L CB 0.576 42.684 42.059 0.081 0.000 1.127 293 L HN 0.771 nan 8.230 nan 0.000 0.492 294 A N 2.511 125.357 122.820 0.043 0.000 2.371 294 A HA 0.370 4.690 4.320 -0.001 0.000 0.257 294 A C 0.422 178.014 177.584 0.013 0.000 1.089 294 A CA -0.377 51.674 52.037 0.023 0.000 0.794 294 A CB 0.164 19.177 19.000 0.022 0.000 1.029 294 A HN 0.768 nan 8.150 nan 0.000 0.488 295 T N 0.223 114.776 114.554 -0.002 0.000 2.849 295 T HA 0.393 4.743 4.350 -0.001 0.000 0.289 295 T C 0.934 175.630 174.700 -0.007 0.000 1.010 295 T CA 0.367 62.461 62.100 -0.009 0.000 1.161 295 T CB -0.299 68.553 68.868 -0.025 0.000 0.989 295 T HN 2.390 nan 8.240 nan 0.000 0.523 296 G N 1.737 110.535 108.800 -0.004 0.000 2.387 296 G HA2 0.347 4.306 3.960 -0.001 0.000 0.270 296 G HA3 0.347 4.306 3.960 -0.001 0.000 0.270 296 G C -0.008 174.894 174.900 0.004 0.000 0.957 296 G CA -0.223 44.874 45.100 -0.005 0.000 1.352 296 G HN 1.811 nan 8.290 nan 0.000 0.457 297 A N 1.322 124.151 122.820 0.015 0.000 2.594 297 A HA 0.769 5.089 4.320 -0.001 0.000 0.295 297 A C -0.362 177.240 177.584 0.029 0.000 1.071 297 A CA -0.581 51.468 52.037 0.021 0.000 0.685 297 A CB 1.390 20.405 19.000 0.026 0.000 1.285 297 A HN 0.810 nan 8.150 nan 0.000 0.405 298 N N 1.069 119.786 118.700 0.027 0.000 2.408 298 N HA 0.436 5.176 4.740 -0.001 0.000 0.257 298 N C 1.170 176.703 175.510 0.039 0.000 1.064 298 N CA 0.470 53.539 53.050 0.031 0.000 0.952 298 N CB 1.528 40.029 38.487 0.023 0.000 1.093 298 N HN 0.761 nan 8.380 nan 0.000 0.490 299 A N 5.200 128.051 122.820 0.050 0.000 1.859 299 A HA -0.207 4.112 4.320 -0.001 0.000 0.218 299 A C 2.159 179.768 177.584 0.042 0.000 1.209 299 A CA 1.436 53.508 52.037 0.058 0.000 0.639 299 A CB -0.942 18.102 19.000 0.074 0.000 0.835 299 A HN 0.770 nan 8.150 nan 0.000 0.450 300 L N -0.773 120.469 121.223 0.033 0.000 1.978 300 L HA -0.296 4.043 4.340 -0.001 0.000 0.218 300 L C 2.431 179.309 176.870 0.012 0.000 1.075 300 L CA 1.950 56.801 54.840 0.018 0.000 0.767 300 L CB -1.019 41.049 42.059 0.014 0.000 0.890 300 L HN 0.367 nan 8.230 nan 0.000 0.434 301 D N -0.643 119.766 120.400 0.015 0.000 2.133 301 D HA -0.173 4.466 4.640 -0.001 0.000 0.195 301 D C 2.151 178.461 176.300 0.015 0.000 0.997 301 D CA 1.842 55.849 54.000 0.012 0.000 0.840 301 D CB -0.189 40.619 40.800 0.013 0.000 0.947 301 D HN 0.314 nan 8.370 nan 0.000 0.452 302 T N 0.378 114.946 114.554 0.025 0.000 2.668 302 T HA -0.100 4.250 4.350 -0.001 0.000 0.262 302 T C 1.975 176.693 174.700 0.030 0.000 1.045 302 T CA 1.725 63.844 62.100 0.032 0.000 1.152 302 T CB -0.386 68.509 68.868 0.046 0.000 0.864 302 T HN 0.200 nan 8.240 nan 0.000 0.419 303 A N 1.701 124.538 122.820 0.028 0.000 1.948 303 A HA -0.206 4.114 4.320 -0.001 0.000 0.220 303 A C 2.205 179.786 177.584 -0.005 0.000 1.177 303 A CA 1.900 53.947 52.037 0.017 0.000 0.636 303 A CB -0.501 18.500 19.000 0.001 0.000 0.815 303 A HN 0.522 nan 8.150 nan 0.000 0.449 304 K N -0.420 119.973 120.400 -0.010 0.000 2.002 304 K HA -0.057 4.263 4.320 -0.001 0.000 0.209 304 K C 2.361 178.957 176.600 -0.006 0.000 1.048 304 K CA 1.234 57.510 56.287 -0.019 0.000 0.930 304 K CB -0.369 32.121 32.500 -0.016 0.000 0.714 304 K HN 0.432 nan 8.250 nan 0.000 0.438 305 A N 2.079 124.902 122.820 0.004 0.000 1.933 305 A HA -0.107 4.213 4.320 -0.001 0.000 0.218 305 A C 1.980 179.572 177.584 0.015 0.000 1.175 305 A CA 1.295 53.337 52.037 0.008 0.000 0.628 305 A CB -0.716 18.291 19.000 0.011 0.000 0.814 305 A HN 0.511 nan 8.150 nan 0.000 0.444 306 I N -3.911 116.674 120.570 0.025 0.000 3.752 306 I HA 0.323 4.493 4.170 -0.001 0.000 0.313 306 I C 1.342 177.495 176.117 0.061 0.000 1.304 306 I CA 0.383 61.705 61.300 0.036 0.000 1.171 306 I CB -0.065 37.962 38.000 0.045 0.000 1.038 306 I HN 0.204 nan 8.210 nan 0.000 0.427 307 R N 0.370 120.896 120.500 0.043 0.000 2.243 307 R HA 0.180 4.520 4.340 -0.001 0.000 0.193 307 R C 2.043 178.368 176.300 0.041 0.000 0.933 307 R CA 0.444 56.581 56.100 0.061 0.000 1.105 307 R CB 0.131 30.419 30.300 -0.021 0.000 1.169 307 R HN 0.381 nan 8.270 nan 0.000 0.599 308 Q N -0.569 119.238 119.800 0.011 0.000 2.230 308 Q HA -0.086 4.254 4.340 -0.001 0.000 0.202 308 Q C 1.651 177.650 176.000 -0.001 0.000 0.963 308 Q CA 1.638 57.441 55.803 -0.000 0.000 0.866 308 Q CB 0.076 28.809 28.738 -0.008 0.000 0.931 308 Q HN 0.194 nan 8.270 nan 0.000 0.452 309 T N 1.534 116.092 114.554 0.006 0.000 2.746 309 T HA -0.090 4.259 4.350 -0.001 0.000 0.267 309 T C 1.367 176.063 174.700 -0.006 0.000 1.039 309 T CA 0.856 62.956 62.100 0.000 0.000 1.142 309 T CB -0.130 68.739 68.868 0.002 0.000 0.866 309 T HN 0.426 nan 8.240 nan 0.000 0.444 310 I N -1.355 119.219 120.570 0.006 0.000 3.771 310 I HA 0.609 4.778 4.170 -0.001 0.000 0.327 310 I C 0.951 177.068 176.117 -0.000 0.000 1.435 310 I CA -0.315 60.984 61.300 -0.002 0.000 1.259 310 I CB -0.127 37.871 38.000 -0.002 0.000 1.292 310 I HN 0.096 nan 8.210 nan 0.000 0.429 311 A N 1.280 124.087 122.820 -0.021 0.000 2.530 311 A HA 0.262 4.582 4.320 -0.001 0.000 0.214 311 A C 1.230 178.759 177.584 -0.091 0.000 1.352 311 A CA -0.144 51.869 52.037 -0.041 0.000 1.035 311 A CB 0.046 19.033 19.000 -0.022 0.000 1.296 311 A HN 0.409 nan 8.150 nan 0.000 0.563 312 N N 0.119 118.766 118.700 -0.088 0.000 2.373 312 N HA 0.167 4.907 4.740 -0.001 0.000 0.181 312 N C 1.179 176.560 175.510 -0.215 0.000 1.082 312 N CA 0.563 53.531 53.050 -0.137 0.000 0.885 312 N CB 0.093 38.548 38.487 -0.054 0.000 0.977 312 N HN 0.443 nan 8.380 nan 0.000 0.462 313 L N 0.236 121.387 121.223 -0.121 0.000 2.513 313 L HA 0.182 4.522 4.340 -0.001 0.000 0.222 313 L C 1.669 178.487 176.870 -0.087 0.000 1.096 313 L CA 0.363 55.171 54.840 -0.054 0.000 0.857 313 L CB 0.059 42.128 42.059 0.017 0.000 1.026 313 L HN 0.108 nan 8.230 nan 0.000 0.469 314 E N 0.801 120.925 120.200 -0.126 0.000 2.106 314 E HA -0.169 4.180 4.350 -0.001 0.000 0.192 314 E C -0.677 175.827 176.600 -0.160 0.000 0.984 314 E CA 0.866 57.208 56.400 -0.096 0.000 0.806 314 E CB -0.660 28.996 29.700 -0.073 0.000 0.750 314 E HN 0.408 nan 8.360 nan 0.000 0.458 315 P HA -0.154 nan 4.420 nan 0.000 0.223 315 P C 0.257 177.401 177.300 -0.261 0.000 1.144 315 P CA 1.244 64.090 63.100 -0.425 0.000 0.783 315 P CB -0.075 31.157 31.700 -0.780 0.000 0.771 316 F N -2.655 117.318 119.950 0.040 0.000 2.735 316 F HA 0.322 4.848 4.527 -0.001 0.000 0.304 316 F C 0.867 176.720 175.800 0.088 0.000 1.119 316 F CA -0.707 57.326 58.000 0.055 0.000 1.280 316 F CB -0.122 38.910 39.000 0.053 0.000 0.994 316 F HN -0.239 nan 8.300 nan 0.000 0.520 317 M N 1.267 120.973 119.600 0.176 0.000 2.318 317 M HA 0.396 4.875 4.480 -0.001 0.000 0.347 317 M C -2.300 174.003 176.300 0.005 0.000 1.175 317 M CA -1.877 53.483 55.300 0.100 0.000 1.075 317 M CB 0.591 33.213 32.600 0.037 0.000 1.614 317 M HN -0.214 nan 8.290 nan 0.000 0.456 318 P HA -0.032 nan 4.420 nan 0.000 0.269 318 P C -0.960 176.297 177.300 -0.073 0.000 1.211 318 P CA -0.081 62.970 63.100 -0.081 0.000 0.781 318 P CB 0.392 31.996 31.700 -0.160 0.000 0.877 319 Q N 1.065 120.841 119.800 -0.041 0.000 2.423 319 Q HA 0.439 4.779 4.340 -0.001 0.000 0.235 319 Q C 0.888 176.865 176.000 -0.039 0.000 1.100 319 Q CA 0.376 56.160 55.803 -0.032 0.000 0.908 319 Q CB 0.405 29.135 28.738 -0.013 0.000 1.312 319 Q HN 0.850 nan 8.270 nan 0.000 0.497 320 G N 1.907 110.677 108.800 -0.050 0.000 3.784 320 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.220 320 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.220 320 G C -0.078 174.786 174.900 -0.060 0.000 0.895 320 G CA -0.007 45.066 45.100 -0.045 0.000 0.939 320 G HN 0.487 nan 8.290 nan 0.000 0.708 321 M N -1.061 118.490 119.600 -0.081 0.000 2.619 321 M HA 0.895 5.374 4.480 -0.001 0.000 0.297 321 M C -1.220 175.041 176.300 -0.066 0.000 1.229 321 M CA -1.045 54.200 55.300 -0.091 0.000 0.860 321 M CB 2.557 35.053 32.600 -0.174 0.000 1.741 321 M HN -0.069 nan 8.290 nan 0.000 0.462 322 K N 1.657 122.023 120.400 -0.057 0.000 2.553 322 K HA 0.526 4.846 4.320 -0.001 0.000 0.250 322 K C -1.861 174.686 176.600 -0.089 0.000 0.953 322 K CA -0.668 55.589 56.287 -0.049 0.000 0.800 322 K CB 2.548 35.039 32.500 -0.014 0.000 1.243 322 K HN 0.757 nan 8.250 nan 0.000 0.435 323 V N 4.289 124.139 119.914 -0.106 0.000 2.529 323 V HA 0.150 4.269 4.120 -0.001 0.000 0.292 323 V C -0.011 175.909 176.094 -0.290 0.000 1.028 323 V CA -0.111 62.067 62.300 -0.204 0.000 1.074 323 V CB 0.989 32.704 31.823 -0.180 0.000 0.958 323 V HN 0.463 nan 8.190 nan 0.000 0.481 324 V N 5.039 124.661 119.914 -0.486 0.000 3.040 324 V HA 0.490 4.609 4.120 -0.001 0.000 0.312 324 V C -1.261 174.366 176.094 -0.779 0.000 1.115 324 V CA -0.849 61.130 62.300 -0.535 0.000 0.998 324 V CB 2.288 33.688 31.823 -0.706 0.000 1.042 324 V HN 0.706 nan 8.190 nan 0.000 0.433 325 Y N 2.011 122.120 120.300 -0.317 0.000 2.748 325 Y HA 0.388 4.937 4.550 -0.001 0.000 0.359 325 Y C -1.992 173.761 175.900 -0.245 0.000 1.030 325 Y CA -2.164 55.785 58.100 -0.252 0.000 1.169 325 Y CB 0.966 39.336 38.460 -0.150 0.000 1.127 325 Y HN 0.474 nan 8.280 nan 0.000 0.644 326 P HA -0.154 nan 4.420 nan 0.000 0.226 326 P C -0.696 176.659 177.300 0.093 0.000 1.146 326 P CA 1.527 64.573 63.100 -0.091 0.000 0.773 326 P CB 0.159 31.620 31.700 -0.399 0.000 0.772 327 Y N -0.670 119.542 120.300 -0.147 0.000 2.299 327 Y HA 0.443 4.992 4.550 -0.001 0.000 0.318 327 Y C -1.963 173.927 175.900 -0.016 0.000 1.205 327 Y CA -1.217 56.841 58.100 -0.070 0.000 1.106 327 Y CB 1.207 39.551 38.460 -0.193 0.000 1.246 327 Y HN -0.344 nan 8.280 nan 0.000 0.415 328 D N 3.657 123.851 120.400 -0.343 0.000 2.602 328 D HA 0.274 4.913 4.640 -0.001 0.000 0.245 328 D C -0.007 176.112 176.300 -0.300 0.000 1.325 328 D CA -0.157 53.709 54.000 -0.224 0.000 0.952 328 D CB 2.427 43.161 40.800 -0.111 0.000 1.317 328 D HN 0.650 nan 8.370 nan 0.000 0.577 329 T N 1.319 115.746 114.554 -0.213 0.000 3.014 329 T HA -0.064 4.286 4.350 -0.001 0.000 0.263 329 T C 1.717 176.424 174.700 0.012 0.000 1.078 329 T CA 1.021 63.071 62.100 -0.083 0.000 1.135 329 T CB 0.160 69.074 68.868 0.077 0.000 0.895 329 T HN 0.398 nan 8.240 nan 0.000 0.480 330 T N 2.215 116.777 114.554 0.012 0.000 2.778 330 T HA -0.086 4.264 4.350 -0.001 0.000 0.269 330 T C -0.958 173.758 174.700 0.026 0.000 1.050 330 T CA 1.097 63.213 62.100 0.027 0.000 1.137 330 T CB -0.795 68.078 68.868 0.008 0.000 0.860 330 T HN 0.342 nan 8.240 nan 0.000 0.468 331 P HA -0.037 nan 4.420 nan 0.000 0.215 331 P C 1.666 179.042 177.300 0.127 0.000 1.157 331 P CA 0.661 63.782 63.100 0.036 0.000 0.868 331 P CB -0.217 31.477 31.700 -0.009 0.000 0.788 332 V N -0.385 119.634 119.914 0.176 0.000 2.380 332 V HA -0.240 3.880 4.120 -0.001 0.000 0.251 332 V C 2.476 178.670 176.094 0.167 0.000 1.063 332 V CA 1.781 64.254 62.300 0.289 0.000 1.055 332 V CB -1.292 30.709 31.823 0.298 0.000 0.657 332 V HN -0.027 nan 8.190 nan 0.000 0.455 333 V N 0.106 120.089 119.914 0.115 0.000 2.233 333 V HA -0.289 3.830 4.120 -0.001 0.000 0.247 333 V C 2.532 178.654 176.094 0.046 0.000 1.050 333 V CA 2.600 64.940 62.300 0.067 0.000 1.010 333 V CB -0.850 31.008 31.823 0.059 0.000 0.637 333 V HN 0.612 nan 8.190 nan 0.000 0.444 334 S N 0.202 115.937 115.700 0.058 0.000 2.368 334 S HA -0.160 4.310 4.470 -0.001 0.000 0.225 334 S C 2.212 176.861 174.600 0.083 0.000 1.030 334 S CA 1.352 59.585 58.200 0.056 0.000 0.999 334 S CB -0.614 62.611 63.200 0.042 0.000 0.844 334 S HN 0.654 nan 8.310 nan 0.000 0.459 335 A N 2.260 125.150 122.820 0.117 0.000 1.865 335 A HA -0.166 4.154 4.320 -0.001 0.000 0.217 335 A C 2.443 180.040 177.584 0.022 0.000 1.191 335 A CA 2.315 54.434 52.037 0.137 0.000 0.623 335 A CB -1.217 18.000 19.000 0.361 0.000 0.826 335 A HN 0.643 nan 8.150 nan 0.000 0.444 336 S N 0.548 116.231 115.700 -0.029 0.000 2.368 336 S HA -0.152 4.318 4.470 -0.001 0.000 0.225 336 S C 1.691 176.249 174.600 -0.070 0.000 1.030 336 S CA 1.410 59.549 58.200 -0.102 0.000 0.999 336 S CB -0.838 62.300 63.200 -0.104 0.000 0.844 336 S HN 1.055 nan 8.310 nan 0.000 0.459 337 I N -0.304 120.242 120.570 -0.040 0.000 3.812 337 I HA 0.367 4.536 4.170 -0.001 0.000 0.320 337 I C 1.774 177.901 176.117 0.016 0.000 1.276 337 I CA 0.308 61.581 61.300 -0.045 0.000 1.164 337 I CB -0.387 37.576 38.000 -0.061 0.000 1.009 337 I HN 0.282 nan 8.210 nan 0.000 0.431 338 H N 0.987 120.037 119.070 -0.033 0.000 2.431 338 H HA 0.131 4.686 4.556 -0.001 0.000 0.295 338 H C 1.798 177.116 175.328 -0.017 0.000 1.038 338 H CA 1.511 57.550 56.048 -0.016 0.000 1.360 338 H CB 0.264 30.024 29.762 -0.003 0.000 1.433 338 H HN 0.414 nan 8.280 nan 0.000 0.536 339 E N -0.054 120.122 120.200 -0.041 0.000 2.158 339 E HA -0.086 4.263 4.350 -0.001 0.000 0.191 339 E C 2.145 178.704 176.600 -0.067 0.000 0.982 339 E CA 0.822 57.173 56.400 -0.083 0.000 0.823 339 E CB 0.136 29.818 29.700 -0.029 0.000 0.766 339 E HN 0.312 nan 8.360 nan 0.000 0.468 340 V N 1.008 120.902 119.914 -0.034 0.000 2.759 340 V HA -0.153 3.966 4.120 -0.001 0.000 0.256 340 V C 1.996 178.085 176.094 -0.009 0.000 1.080 340 V CA 1.051 63.367 62.300 0.026 0.000 1.101 340 V CB 0.113 31.929 31.823 -0.013 0.000 0.698 340 V HN 0.055 nan 8.190 nan 0.000 0.477 341 V N -0.594 119.275 119.914 -0.076 0.000 2.725 341 V HA -0.091 4.029 4.120 -0.001 0.000 0.247 341 V C 2.341 178.357 176.094 -0.131 0.000 1.058 341 V CA 1.643 63.892 62.300 -0.085 0.000 1.080 341 V CB -0.383 31.383 31.823 -0.095 0.000 0.713 341 V HN 0.484 nan 8.190 nan 0.000 0.465 342 K N 0.308 120.573 120.400 -0.224 0.000 1.985 342 K HA -0.235 4.084 4.320 -0.001 0.000 0.210 342 K C 2.378 178.929 176.600 -0.082 0.000 1.047 342 K CA 2.218 58.392 56.287 -0.189 0.000 0.932 342 K CB -0.570 31.801 32.500 -0.215 0.000 0.716 342 K HN 0.442 nan 8.250 nan 0.000 0.439 343 T N 2.139 116.662 114.554 -0.052 0.000 2.699 343 T HA -0.181 4.168 4.350 -0.001 0.000 0.268 343 T C 1.903 176.597 174.700 -0.010 0.000 1.036 343 T CA 1.330 63.420 62.100 -0.018 0.000 1.147 343 T CB -0.258 68.615 68.868 0.008 0.000 0.862 343 T HN 0.236 nan 8.240 nan 0.000 0.446 344 L N 0.871 122.094 121.223 -0.000 0.000 1.978 344 L HA -0.061 4.278 4.340 -0.001 0.000 0.218 344 L C 2.711 179.582 176.870 0.002 0.000 1.075 344 L CA 2.781 57.629 54.840 0.013 0.000 0.767 344 L CB -1.745 40.330 42.059 0.026 0.000 0.890 344 L HN 0.513 nan 8.230 nan 0.000 0.434 345 G N -0.697 108.094 108.800 -0.014 0.000 2.440 345 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.218 345 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.218 345 G C 1.369 176.259 174.900 -0.017 0.000 1.154 345 G CA 0.780 45.869 45.100 -0.017 0.000 0.767 345 G HN 0.607 nan 8.290 nan 0.000 0.552 346 E N 0.644 120.832 120.200 -0.020 0.000 2.118 346 E HA -0.095 4.254 4.350 -0.001 0.000 0.195 346 E C 2.923 179.519 176.600 -0.007 0.000 0.992 346 E CA 0.784 57.175 56.400 -0.016 0.000 0.804 346 E CB -0.216 29.473 29.700 -0.018 0.000 0.741 346 E HN 0.435 nan 8.360 nan 0.000 0.458 347 A N 1.788 124.604 122.820 -0.007 0.000 1.877 347 A HA -0.180 4.139 4.320 -0.001 0.000 0.216 347 A C 2.325 179.919 177.584 0.016 0.000 1.186 347 A CA 1.495 53.528 52.037 -0.007 0.000 0.620 347 A CB -0.752 18.239 19.000 -0.015 0.000 0.822 347 A HN 0.404 nan 8.150 nan 0.000 0.443 348 I N -1.995 118.590 120.570 0.025 0.000 2.493 348 I HA -0.150 4.020 4.170 -0.001 0.000 0.254 348 I C 2.063 178.224 176.117 0.073 0.000 1.160 348 I CA 1.234 62.565 61.300 0.051 0.000 1.445 348 I CB -0.121 37.907 38.000 0.045 0.000 1.086 348 I HN 0.276 nan 8.210 nan 0.000 0.433 349 L N 0.418 121.662 121.223 0.036 0.000 1.994 349 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 349 L C 2.669 179.601 176.870 0.103 0.000 1.071 349 L CA 1.594 56.456 54.840 0.036 0.000 0.745 349 L CB -0.473 41.579 42.059 -0.012 0.000 0.892 349 L HN 0.344 nan 8.230 nan 0.000 0.431 350 L N -1.299 119.962 121.223 0.064 0.000 2.079 350 L HA -0.226 4.114 4.340 -0.001 0.000 0.210 350 L C 2.516 179.439 176.870 0.089 0.000 1.081 350 L CA 0.936 55.814 54.840 0.064 0.000 0.752 350 L CB -0.725 41.349 42.059 0.026 0.000 0.896 350 L HN 0.123 nan 8.230 nan 0.000 0.433 351 V N 0.006 119.974 119.914 0.091 0.000 2.261 351 V HA -0.334 3.786 4.120 -0.001 0.000 0.246 351 V C 2.310 178.474 176.094 0.117 0.000 1.047 351 V CA 2.119 64.475 62.300 0.093 0.000 1.015 351 V CB -0.607 31.266 31.823 0.082 0.000 0.642 351 V HN 0.364 nan 8.190 nan 0.000 0.446 352 F N 0.244 120.196 119.950 0.003 0.000 2.115 352 F HA -0.272 4.254 4.527 -0.001 0.000 0.300 352 F C 2.043 177.843 175.800 0.001 0.000 1.092 352 F CA 1.916 59.909 58.000 -0.012 0.000 1.245 352 F CB -0.183 38.792 39.000 -0.042 0.000 0.995 352 F HN 0.052 nan 8.300 nan 0.000 0.481 353 L N -0.850 120.497 121.223 0.206 0.000 2.072 353 L HA -0.176 4.164 4.340 -0.001 0.000 0.205 353 L C 2.398 179.296 176.870 0.045 0.000 1.079 353 L CA 0.815 55.721 54.840 0.110 0.000 0.752 353 L CB -0.801 41.336 42.059 0.130 0.000 0.906 353 L HN 0.039 nan 8.230 nan 0.000 0.436 354 V N -0.013 119.936 119.914 0.058 0.000 2.295 354 V HA -0.318 3.802 4.120 -0.001 0.000 0.246 354 V C 2.524 178.692 176.094 0.123 0.000 1.049 354 V CA 1.873 64.227 62.300 0.090 0.000 1.024 354 V CB -0.397 31.502 31.823 0.127 0.000 0.648 354 V HN 0.406 nan 8.190 nan 0.000 0.447 355 M N -1.559 118.060 119.600 0.031 0.000 2.279 355 M HA -0.213 4.267 4.480 -0.001 0.000 0.264 355 M C 2.210 178.443 176.300 -0.111 0.000 1.062 355 M CA 2.042 57.327 55.300 -0.026 0.000 1.099 355 M CB -0.532 31.994 32.600 -0.124 0.000 1.394 355 M HN 0.459 nan 8.290 nan 0.000 0.426 356 Y N 0.930 121.031 120.300 -0.332 0.000 2.314 356 Y HA -0.097 4.453 4.550 -0.001 0.000 0.293 356 Y C 2.133 177.877 175.900 -0.260 0.000 1.129 356 Y CA 1.100 58.975 58.100 -0.374 0.000 1.201 356 Y CB 0.024 38.215 38.460 -0.449 0.000 0.999 356 Y HN 0.081 nan 8.280 nan 0.000 0.541 357 L N -0.950 120.224 121.223 -0.081 0.000 2.079 357 L HA -0.275 4.065 4.340 -0.001 0.000 0.210 357 L C 1.628 178.199 176.870 -0.499 0.000 1.081 357 L CA 1.887 56.557 54.840 -0.283 0.000 0.752 357 L CB -0.417 41.358 42.059 -0.472 0.000 0.896 357 L HN 0.294 nan 8.230 nan 0.000 0.433 358 F N -0.964 118.858 119.950 -0.212 0.000 2.317 358 F HA -0.035 4.492 4.527 -0.001 0.000 0.290 358 F C 2.256 177.882 175.800 -0.291 0.000 1.075 358 F CA 0.506 58.400 58.000 -0.175 0.000 1.380 358 F CB -0.069 38.834 39.000 -0.161 0.000 1.093 358 F HN -0.100 nan 8.300 nan 0.000 0.524 359 L N -0.619 120.496 121.223 -0.180 0.000 2.209 359 L HA -0.032 4.308 4.340 -0.001 0.000 0.207 359 L C 0.307 176.878 176.870 -0.497 0.000 1.094 359 L CA 0.459 55.131 54.840 -0.279 0.000 0.790 359 L CB -0.827 41.088 42.059 -0.241 0.000 0.932 359 L HN 0.174 nan 8.230 nan 0.000 0.447 360 Q N 1.165 120.448 119.800 -0.862 0.000 2.453 360 Q HA -0.245 4.094 4.340 -0.001 0.000 0.330 360 Q C -0.468 175.050 176.000 -0.804 0.000 1.417 360 Q CA 0.488 55.520 55.803 -1.285 0.000 0.902 360 Q CB -1.692 26.199 28.738 -1.412 0.000 1.154 360 Q HN 0.541 nan 8.270 nan 0.000 0.395 361 N N -1.159 117.100 118.700 -0.735 0.000 4.430 361 N HA 0.103 4.843 4.740 -0.001 0.000 0.181 361 N C -0.616 174.930 175.510 0.060 0.000 1.061 361 N CA -0.514 52.442 53.050 -0.157 0.000 1.089 361 N CB 0.104 38.525 38.487 -0.111 0.000 1.586 361 N HN 0.018 nan 8.380 nan 0.000 0.881 362 F N 2.087 122.177 119.950 0.234 0.000 2.154 362 F HA -0.043 4.484 4.527 -0.001 0.000 0.301 362 F C 2.228 178.130 175.800 0.169 0.000 1.087 362 F CA 1.467 59.638 58.000 0.284 0.000 1.274 362 F CB 0.201 39.371 39.000 0.283 0.000 1.009 362 F HN 0.517 nan 8.300 nan 0.000 0.485 363 R N -0.634 120.033 120.500 0.279 0.000 2.075 363 R HA -0.108 4.232 4.340 -0.001 0.000 0.232 363 R C 2.389 178.747 176.300 0.097 0.000 1.126 363 R CA 1.230 57.436 56.100 0.178 0.000 0.963 363 R CB -0.655 29.726 30.300 0.133 0.000 0.858 363 R HN 0.294 nan 8.270 nan 0.000 0.435 364 A N -0.221 122.619 122.820 0.034 0.000 1.874 364 A HA -0.111 4.209 4.320 -0.001 0.000 0.214 364 A C 2.115 179.661 177.584 -0.063 0.000 1.189 364 A CA 1.642 53.663 52.037 -0.028 0.000 0.615 364 A CB -0.760 18.195 19.000 -0.075 0.000 0.830 364 A HN 0.289 nan 8.150 nan 0.000 0.443 365 T N -0.450 114.030 114.554 -0.123 0.000 3.098 365 T HA -0.002 4.347 4.350 -0.001 0.000 0.266 365 T C 1.482 176.106 174.700 -0.126 0.000 1.145 365 T CA 0.941 62.914 62.100 -0.213 0.000 1.092 365 T CB -0.476 68.155 68.868 -0.395 0.000 0.908 365 T HN 0.278 nan 8.240 nan 0.000 0.526 366 L N 1.231 122.464 121.223 0.017 0.000 2.307 366 L HA 0.107 4.447 4.340 -0.001 0.000 0.211 366 L C 2.048 178.981 176.870 0.105 0.000 1.099 366 L CA 1.048 55.970 54.840 0.136 0.000 0.816 366 L CB -0.514 41.672 42.059 0.211 0.000 0.952 366 L HN 0.365 nan 8.230 nan 0.000 0.455 367 I N -0.156 120.444 120.570 0.049 0.000 2.233 367 I HA -0.096 4.073 4.170 -0.001 0.000 0.243 367 I C -0.324 175.792 176.117 -0.002 0.000 1.093 367 I CA 0.818 62.130 61.300 0.021 0.000 1.380 367 I CB -2.948 35.047 38.000 -0.009 0.000 1.067 367 I HN 0.152 nan 8.210 nan 0.000 0.413 368 P HA -0.047 nan 4.420 nan 0.000 0.220 368 P C 1.771 179.083 177.300 0.021 0.000 1.148 368 P CA 1.494 64.584 63.100 -0.016 0.000 0.803 368 P CB -0.136 31.541 31.700 -0.038 0.000 0.782 369 T N 0.010 114.601 114.554 0.061 0.000 2.777 369 T HA -0.090 4.259 4.350 -0.001 0.000 0.266 369 T C 1.703 176.464 174.700 0.102 0.000 1.040 369 T CA 0.657 62.830 62.100 0.123 0.000 1.141 369 T CB -0.771 68.240 68.868 0.239 0.000 0.868 369 T HN 0.013 nan 8.240 nan 0.000 0.444 370 I N 1.746 122.372 120.570 0.093 0.000 2.399 370 I HA -0.204 3.966 4.170 -0.001 0.000 0.254 370 I C 2.541 178.688 176.117 0.050 0.000 1.146 370 I CA 1.076 62.432 61.300 0.093 0.000 1.412 370 I CB -1.023 37.022 38.000 0.074 0.000 1.076 370 I HN 0.184 nan 8.210 nan 0.000 0.432 371 A N -0.274 122.556 122.820 0.018 0.000 1.968 371 A HA -0.104 4.216 4.320 -0.001 0.000 0.217 371 A C 2.399 179.999 177.584 0.026 0.000 1.169 371 A CA 1.226 53.262 52.037 -0.001 0.000 0.638 371 A CB -0.703 18.285 19.000 -0.020 0.000 0.812 371 A HN 0.261 nan 8.150 nan 0.000 0.446 372 V N 0.849 120.791 119.914 0.047 0.000 2.231 372 V HA -0.228 3.892 4.120 -0.001 0.000 0.248 372 V C 0.020 176.153 176.094 0.065 0.000 1.054 372 V CA 2.826 65.159 62.300 0.056 0.000 1.015 372 V CB -1.619 30.245 31.823 0.068 0.000 0.638 372 V HN 0.392 nan 8.190 nan 0.000 0.444 373 P HA -0.114 nan 4.420 nan 0.000 0.215 373 P C 1.901 179.251 177.300 0.084 0.000 1.157 373 P CA 1.489 64.641 63.100 0.086 0.000 0.868 373 P CB -0.176 31.579 31.700 0.093 0.000 0.788 374 V N -0.492 119.464 119.914 0.070 0.000 2.287 374 V HA -0.221 3.899 4.120 -0.001 0.000 0.248 374 V C 2.480 178.600 176.094 0.043 0.000 1.053 374 V CA 1.945 64.277 62.300 0.054 0.000 1.027 374 V CB -1.399 30.434 31.823 0.018 0.000 0.646 374 V HN -0.034 nan 8.190 nan 0.000 0.447 375 V N -0.272 119.659 119.914 0.029 0.000 2.244 375 V HA -0.213 3.907 4.120 -0.001 0.000 0.244 375 V C 2.337 178.448 176.094 0.028 0.000 1.042 375 V CA 1.967 64.275 62.300 0.015 0.000 1.006 375 V CB -0.604 31.217 31.823 -0.003 0.000 0.641 375 V HN 0.400 nan 8.190 nan 0.000 0.446 376 L N -0.501 120.753 121.223 0.051 0.000 1.990 376 L HA -0.218 4.121 4.340 -0.001 0.000 0.213 376 L C 2.589 179.597 176.870 0.230 0.000 1.072 376 L CA 1.414 56.302 54.840 0.080 0.000 0.755 376 L CB -0.749 41.390 42.059 0.133 0.000 0.889 376 L HN 0.298 nan 8.230 nan 0.000 0.432 377 L N -0.007 121.365 121.223 0.249 0.000 2.013 377 L HA -0.195 4.144 4.340 -0.001 0.000 0.212 377 L C 2.682 179.686 176.870 0.224 0.000 1.073 377 L CA 2.325 57.328 54.840 0.272 0.000 0.753 377 L CB -1.972 40.169 42.059 0.136 0.000 0.890 377 L HN 0.370 nan 8.230 nan 0.000 0.432 378 G N -1.347 107.528 108.800 0.125 0.000 2.432 378 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.219 378 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.219 378 G C 1.584 176.520 174.900 0.061 0.000 1.135 378 G CA 1.154 46.303 45.100 0.082 0.000 0.767 378 G HN 0.351 nan 8.290 nan 0.000 0.550 379 T N 0.871 115.432 114.554 0.012 0.000 2.821 379 T HA -0.028 4.322 4.350 -0.001 0.000 0.267 379 T C 2.003 176.639 174.700 -0.107 0.000 1.046 379 T CA 0.695 62.738 62.100 -0.094 0.000 1.139 379 T CB -0.311 68.432 68.868 -0.209 0.000 0.871 379 T HN 0.273 nan 8.240 nan 0.000 0.454 380 F N 1.615 121.562 119.950 -0.004 0.000 2.161 380 F HA -0.007 4.520 4.527 -0.001 0.000 0.300 380 F C 2.699 178.512 175.800 0.021 0.000 1.089 380 F CA 0.978 58.981 58.000 0.006 0.000 1.282 380 F CB -0.792 38.211 39.000 0.005 0.000 1.010 380 F HN 0.232 nan 8.300 nan 0.000 0.485 381 G N -0.252 108.666 108.800 0.196 0.000 2.440 381 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.218 381 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.218 381 G C 1.775 176.733 174.900 0.097 0.000 1.154 381 G CA 1.210 46.382 45.100 0.119 0.000 0.767 381 G HN 0.249 nan 8.290 nan 0.000 0.552 382 V N 0.990 120.959 119.914 0.092 0.000 2.270 382 V HA -0.128 3.992 4.120 -0.001 0.000 0.245 382 V C 2.950 179.167 176.094 0.206 0.000 1.043 382 V CA 1.605 63.992 62.300 0.145 0.000 1.014 382 V CB -0.507 31.378 31.823 0.103 0.000 0.645 382 V HN 0.363 nan 8.190 nan 0.000 0.447 383 L N 0.284 121.562 121.223 0.092 0.000 2.013 383 L HA -0.245 4.095 4.340 -0.001 0.000 0.212 383 L C 2.766 179.788 176.870 0.252 0.000 1.073 383 L CA 1.860 56.778 54.840 0.129 0.000 0.753 383 L CB -0.999 41.097 42.059 0.063 0.000 0.890 383 L HN 0.371 nan 8.230 nan 0.000 0.432 384 A N 0.085 123.012 122.820 0.178 0.000 1.892 384 A HA -0.245 4.074 4.320 -0.001 0.000 0.218 384 A C 2.556 180.190 177.584 0.083 0.000 1.188 384 A CA 2.129 54.246 52.037 0.133 0.000 0.631 384 A CB -0.896 18.166 19.000 0.103 0.000 0.822 384 A HN 0.434 nan 8.150 nan 0.000 0.447 385 A N -1.406 121.427 122.820 0.022 0.000 1.902 385 A HA 0.022 4.341 4.320 -0.001 0.000 0.217 385 A C 1.390 178.825 177.584 -0.249 0.000 1.181 385 A CA 1.311 53.242 52.037 -0.176 0.000 0.623 385 A CB -0.598 18.195 19.000 -0.346 0.000 0.818 385 A HN 0.491 nan 8.150 nan 0.000 0.443 386 F N 0.232 120.265 119.950 0.137 0.000 2.798 386 F HA 0.407 4.933 4.527 -0.001 0.000 0.291 386 F C 1.569 177.527 175.800 0.264 0.000 1.174 386 F CA 0.027 58.152 58.000 0.209 0.000 1.392 386 F CB -0.314 38.849 39.000 0.271 0.000 0.966 386 F HN 0.278 nan 8.300 nan 0.000 0.509 387 G N 0.586 109.532 108.800 0.243 0.000 2.395 387 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.300 387 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.300 387 G C -0.048 174.907 174.900 0.091 0.000 0.998 387 G CA 0.002 45.179 45.100 0.128 0.000 1.046 387 G HN 0.283 nan 8.290 nan 0.000 0.513 388 F N 0.309 120.310 119.950 0.085 0.000 2.411 388 F HA 0.713 5.239 4.527 -0.001 0.000 0.324 388 F C 1.094 176.919 175.800 0.042 0.000 1.086 388 F CA 0.080 58.114 58.000 0.056 0.000 1.028 388 F CB 1.716 40.744 39.000 0.046 0.000 1.284 388 F HN 0.331 nan 8.300 nan 0.000 0.501 389 S N 0.313 116.136 115.700 0.205 0.000 2.715 389 S HA 0.667 5.137 4.470 -0.001 0.000 0.307 389 S C -0.765 173.909 174.600 0.123 0.000 1.119 389 S CA -0.946 57.328 58.200 0.124 0.000 0.937 389 S CB 1.369 64.601 63.200 0.052 0.000 1.150 389 S HN 0.397 nan 8.310 nan 0.000 0.521 390 I N 2.706 123.333 120.570 0.095 0.000 2.322 390 I HA 0.287 4.457 4.170 -0.001 0.000 0.292 390 I C -0.365 175.745 176.117 -0.012 0.000 1.060 390 I CA -0.387 60.957 61.300 0.075 0.000 1.309 390 I CB -0.196 37.878 38.000 0.123 0.000 1.415 390 I HN 0.523 nan 8.210 nan 0.000 0.492 391 N N 3.294 121.944 118.700 -0.083 0.000 2.381 391 N HA 0.200 4.939 4.740 -0.001 0.000 0.294 391 N C 0.807 176.112 175.510 -0.342 0.000 1.216 391 N CA -0.594 52.345 53.050 -0.185 0.000 0.803 391 N CB 1.561 39.954 38.487 -0.158 0.000 1.372 391 N HN 0.379 nan 8.380 nan 0.000 0.500 392 T N 0.095 114.334 114.554 -0.526 0.000 2.881 392 T HA 0.050 4.399 4.350 -0.001 0.000 0.270 392 T C 1.645 175.665 174.700 -1.133 0.000 1.068 392 T CA 1.261 62.872 62.100 -0.817 0.000 1.131 392 T CB -0.116 68.188 68.868 -0.940 0.000 0.871 392 T HN 0.321 nan 8.240 nan 0.000 0.479 393 L N -0.306 120.517 121.223 -0.667 0.000 2.071 393 L HA 0.042 4.382 4.340 -0.001 0.000 0.201 393 L C 2.989 179.532 176.870 -0.545 0.000 1.076 393 L CA 1.183 55.736 54.840 -0.478 0.000 0.755 393 L CB -1.157 40.788 42.059 -0.190 0.000 0.915 393 L HN 0.145 nan 8.230 nan 0.000 0.445 394 T N 0.068 114.384 114.554 -0.396 0.000 2.685 394 T HA -0.234 4.115 4.350 -0.001 0.000 0.268 394 T C 1.968 176.493 174.700 -0.292 0.000 1.034 394 T CA 1.545 63.448 62.100 -0.328 0.000 1.149 394 T CB -0.099 68.667 68.868 -0.169 0.000 0.860 394 T HN 0.110 nan 8.240 nan 0.000 0.449 395 M N -0.157 119.290 119.600 -0.255 0.000 2.175 395 M HA 0.085 4.565 4.480 -0.001 0.000 0.264 395 M C 2.087 178.391 176.300 0.007 0.000 1.063 395 M CA 1.248 56.465 55.300 -0.139 0.000 1.119 395 M CB -1.291 31.231 32.600 -0.130 0.000 1.377 395 M HN 0.380 nan 8.290 nan 0.000 0.415 396 F N 0.213 120.095 119.950 -0.114 0.000 2.192 396 F HA -0.222 4.305 4.527 -0.001 0.000 0.301 396 F C 2.433 178.222 175.800 -0.019 0.000 1.079 396 F CA 0.610 58.602 58.000 -0.013 0.000 1.303 396 F CB -0.712 38.362 39.000 0.124 0.000 1.024 396 F HN 0.285 nan 8.300 nan 0.000 0.494 397 G N 0.430 109.215 108.800 -0.025 0.000 2.421 397 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.216 397 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.216 397 G C 1.552 176.429 174.900 -0.040 0.000 1.171 397 G CA 0.786 45.843 45.100 -0.071 0.000 0.775 397 G HN 0.224 nan 8.290 nan 0.000 0.543 398 M N 0.220 119.770 119.600 -0.082 0.000 2.229 398 M HA 0.004 4.484 4.480 -0.001 0.000 0.264 398 M C 2.603 178.904 176.300 0.002 0.000 1.063 398 M CA 0.659 55.914 55.300 -0.076 0.000 1.114 398 M CB -0.412 32.110 32.600 -0.129 0.000 1.387 398 M HN 0.093 nan 8.290 nan 0.000 0.420 399 V N 1.263 121.204 119.914 0.045 0.000 2.270 399 V HA -0.237 3.882 4.120 -0.001 0.000 0.245 399 V C 2.428 178.546 176.094 0.040 0.000 1.043 399 V CA 1.607 63.935 62.300 0.048 0.000 1.014 399 V CB -0.672 31.194 31.823 0.072 0.000 0.645 399 V HN 0.451 nan 8.190 nan 0.000 0.447 400 L N 0.174 121.449 121.223 0.087 0.000 2.079 400 L HA -0.209 4.130 4.340 -0.001 0.000 0.210 400 L C 2.609 179.593 176.870 0.190 0.000 1.081 400 L CA 1.713 56.644 54.840 0.151 0.000 0.752 400 L CB -0.714 41.489 42.059 0.240 0.000 0.896 400 L HN 0.400 nan 8.230 nan 0.000 0.433 401 A N 0.420 123.296 122.820 0.093 0.000 2.067 401 A HA -0.103 4.217 4.320 -0.001 0.000 0.217 401 A C 2.001 179.626 177.584 0.068 0.000 1.156 401 A CA 1.056 53.129 52.037 0.059 0.000 0.683 401 A CB -0.518 18.468 19.000 -0.024 0.000 0.808 401 A HN 0.484 nan 8.150 nan 0.000 0.455 402 I N -1.987 118.620 120.570 0.061 0.000 2.700 402 I HA 0.041 4.211 4.170 -0.001 0.000 0.261 402 I C 1.790 177.957 176.117 0.083 0.000 1.219 402 I CA 1.201 62.535 61.300 0.056 0.000 1.463 402 I CB -1.014 37.011 38.000 0.042 0.000 1.092 402 I HN 0.046 nan 8.210 nan 0.000 0.452 403 G N 0.296 109.181 108.800 0.143 0.000 2.887 403 G HA2 0.277 4.237 3.960 -0.001 0.000 0.211 403 G HA3 0.277 4.237 3.960 -0.001 0.000 0.211 403 G C 1.397 176.446 174.900 0.248 0.000 1.152 403 G CA 0.103 45.338 45.100 0.226 0.000 0.769 403 G HN 0.420 nan 8.290 nan 0.000 0.541 404 L N -0.039 121.292 121.223 0.180 0.000 2.349 404 L HA 0.189 4.528 4.340 -0.001 0.000 0.200 404 L C 2.531 179.418 176.870 0.029 0.000 1.064 404 L CA 0.220 55.104 54.840 0.073 0.000 0.821 404 L CB -0.423 41.662 42.059 0.043 0.000 1.027 404 L HN 0.238 nan 8.230 nan 0.000 0.476 405 L N -1.812 119.427 121.223 0.028 0.000 2.261 405 L HA -0.086 4.254 4.340 -0.001 0.000 0.216 405 L C 2.139 179.010 176.870 0.001 0.000 1.114 405 L CA 1.442 56.284 54.840 0.004 0.000 0.777 405 L CB -1.196 40.864 42.059 0.002 0.000 0.910 405 L HN -0.092 nan 8.230 nan 0.000 0.440 406 V N 0.407 120.330 119.914 0.015 0.000 2.548 406 V HA -0.184 3.935 4.120 -0.001 0.000 0.249 406 V C 2.224 178.307 176.094 -0.018 0.000 1.055 406 V CA 1.662 63.964 62.300 0.004 0.000 1.065 406 V CB -0.590 31.245 31.823 0.020 0.000 0.681 406 V HN 0.453 nan 8.190 nan 0.000 0.462 407 D N 0.517 120.907 120.400 -0.017 0.000 2.160 407 D HA -0.228 4.412 4.640 -0.001 0.000 0.189 407 D C 1.841 178.109 176.300 -0.052 0.000 1.003 407 D CA 1.962 55.937 54.000 -0.041 0.000 0.846 407 D CB -0.452 40.323 40.800 -0.042 0.000 0.949 407 D HN 0.408 nan 8.370 nan 0.000 0.446 408 D N 0.028 120.402 120.400 -0.044 0.000 2.106 408 D HA -0.135 4.505 4.640 -0.001 0.000 0.191 408 D C 2.009 178.277 176.300 -0.053 0.000 0.997 408 D CA 1.815 55.787 54.000 -0.046 0.000 0.834 408 D CB -0.549 40.228 40.800 -0.039 0.000 0.956 408 D HN 0.200 nan 8.370 nan 0.000 0.448 409 A N 0.993 123.782 122.820 -0.051 0.000 1.903 409 A HA -0.231 4.089 4.320 -0.001 0.000 0.219 409 A C 2.342 179.888 177.584 -0.063 0.000 1.191 409 A CA 2.163 54.167 52.037 -0.056 0.000 0.638 409 A CB -1.073 17.898 19.000 -0.047 0.000 0.823 409 A HN 0.491 nan 8.150 nan 0.000 0.451 410 I N -3.013 117.516 120.570 -0.068 0.000 2.286 410 I HA -0.081 4.088 4.170 -0.001 0.000 0.245 410 I C 1.990 178.048 176.117 -0.099 0.000 1.104 410 I CA 1.368 62.615 61.300 -0.087 0.000 1.397 410 I CB -0.871 37.068 38.000 -0.102 0.000 1.072 410 I HN 0.042 nan 8.210 nan 0.000 0.417 411 V N 1.775 121.631 119.914 -0.097 0.000 2.439 411 V HA -0.254 3.866 4.120 -0.001 0.000 0.253 411 V C 2.685 178.727 176.094 -0.087 0.000 1.074 411 V CA 2.041 64.279 62.300 -0.103 0.000 1.076 411 V CB -0.482 31.285 31.823 -0.093 0.000 0.664 411 V HN 0.426 nan 8.190 nan 0.000 0.461 412 V N -1.106 118.766 119.914 -0.071 0.000 2.407 412 V HA -0.141 3.979 4.120 -0.001 0.000 0.245 412 V C 2.310 178.368 176.094 -0.060 0.000 1.041 412 V CA 1.488 63.753 62.300 -0.058 0.000 1.040 412 V CB -0.039 31.754 31.823 -0.051 0.000 0.671 412 V HN 0.384 nan 8.190 nan 0.000 0.455 413 V N 0.765 120.639 119.914 -0.067 0.000 2.255 413 V HA -0.333 3.786 4.120 -0.001 0.000 0.247 413 V C 2.537 178.587 176.094 -0.073 0.000 1.051 413 V CA 2.599 64.859 62.300 -0.067 0.000 1.018 413 V CB -0.662 31.117 31.823 -0.073 0.000 0.641 413 V HN 0.782 nan 8.190 nan 0.000 0.445 414 E N 1.031 121.178 120.200 -0.088 0.000 2.038 414 E HA -0.319 4.031 4.350 -0.001 0.000 0.195 414 E C 1.874 178.427 176.600 -0.078 0.000 1.000 414 E CA 2.294 58.639 56.400 -0.092 0.000 0.803 414 E CB -0.539 29.091 29.700 -0.117 0.000 0.750 414 E HN 0.647 nan 8.360 nan 0.000 0.448 415 N N -1.144 117.509 118.700 -0.078 0.000 2.635 415 N HA -0.079 4.660 4.740 -0.001 0.000 0.191 415 N C 0.858 176.344 175.510 -0.041 0.000 1.155 415 N CA 0.658 53.670 53.050 -0.063 0.000 0.927 415 N CB 0.310 38.759 38.487 -0.065 0.000 0.976 415 N HN 0.088 nan 8.380 nan 0.000 0.448 416 V N -0.399 119.488 119.914 -0.045 0.000 3.471 416 V HA 0.064 4.183 4.120 -0.001 0.000 0.258 416 V C 1.469 177.537 176.094 -0.043 0.000 1.192 416 V CA 0.817 63.096 62.300 -0.035 0.000 1.116 416 V CB 0.115 31.919 31.823 -0.032 0.000 0.792 416 V HN 0.308 nan 8.190 nan 0.000 0.459 417 E N -0.162 120.005 120.200 -0.054 0.000 2.276 417 E HA 0.028 4.378 4.350 -0.001 0.000 0.193 417 E C 2.169 178.726 176.600 -0.072 0.000 0.983 417 E CA -0.020 56.341 56.400 -0.066 0.000 0.861 417 E CB 0.155 29.810 29.700 -0.074 0.000 0.817 417 E HN 0.453 nan 8.360 nan 0.000 0.485 418 R N 0.840 121.306 120.500 -0.056 0.000 2.082 418 R HA -0.121 4.218 4.340 -0.001 0.000 0.234 418 R C 2.439 178.712 176.300 -0.045 0.000 1.136 418 R CA 1.460 57.535 56.100 -0.041 0.000 0.935 418 R CB -0.379 29.909 30.300 -0.019 0.000 0.842 418 R HN 0.014 nan 8.270 nan 0.000 0.430 419 V N 1.123 121.020 119.914 -0.029 0.000 2.343 419 V HA -0.261 3.858 4.120 -0.001 0.000 0.247 419 V C 2.314 178.385 176.094 -0.038 0.000 1.051 419 V CA 1.685 63.973 62.300 -0.020 0.000 1.036 419 V CB -0.388 31.430 31.823 -0.008 0.000 0.654 419 V HN 0.390 nan 8.190 nan 0.000 0.451 420 M N -0.953 118.618 119.600 -0.049 0.000 2.557 420 M HA -0.022 4.458 4.480 -0.001 0.000 0.259 420 M C 1.862 178.111 176.300 -0.086 0.000 1.086 420 M CA 1.325 56.592 55.300 -0.054 0.000 1.096 420 M CB -0.276 32.295 32.600 -0.048 0.000 1.424 420 M HN 0.492 nan 8.290 nan 0.000 0.488 421 A N 0.296 123.038 122.820 -0.131 0.000 2.051 421 A HA 0.030 4.350 4.320 -0.001 0.000 0.218 421 A C 1.724 179.164 177.584 -0.239 0.000 1.575 421 A CA 0.224 52.116 52.037 -0.241 0.000 0.700 421 A CB -0.487 18.281 19.000 -0.388 0.000 1.245 421 A HN 0.319 nan 8.150 nan 0.000 0.536 422 E N 0.257 120.331 120.200 -0.211 0.000 2.169 422 E HA -0.251 4.099 4.350 -0.001 0.000 0.202 422 E C 1.386 177.991 176.600 0.009 0.000 1.016 422 E CA 1.828 58.214 56.400 -0.023 0.000 0.817 422 E CB -0.145 29.606 29.700 0.084 0.000 0.736 422 E HN 0.743 nan 8.360 nan 0.000 0.462 423 E N -1.091 119.101 120.200 -0.014 0.000 2.539 423 E HA 0.164 4.513 4.350 -0.001 0.000 0.215 423 E C 0.354 176.947 176.600 -0.011 0.000 0.965 423 E CA 0.201 56.600 56.400 -0.000 0.000 1.019 423 E CB 1.212 30.916 29.700 0.006 0.000 1.059 423 E HN 0.206 nan 8.360 nan 0.000 0.496 424 G N 2.790 111.571 108.800 -0.032 0.000 2.274 424 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.251 424 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.251 424 G C -0.452 174.439 174.900 -0.016 0.000 0.836 424 G CA 0.446 45.528 45.100 -0.030 0.000 1.246 424 G HN 0.183 nan 8.290 nan 0.000 0.355 425 L N 0.976 122.188 121.223 -0.017 0.000 2.327 425 L HA 0.765 5.104 4.340 -0.001 0.000 0.258 425 L C 1.134 177.999 176.870 -0.009 0.000 1.024 425 L CA -0.635 54.199 54.840 -0.009 0.000 0.825 425 L CB 2.002 44.057 42.059 -0.007 0.000 1.386 425 L HN 0.744 nan 8.230 nan 0.000 0.417 426 S N 1.274 116.972 115.700 -0.004 0.000 2.568 426 S HA 0.168 4.637 4.470 -0.001 0.000 0.282 426 S C -2.006 172.592 174.600 -0.002 0.000 1.338 426 S CA -0.749 57.450 58.200 -0.002 0.000 1.045 426 S CB 0.967 64.168 63.200 0.002 0.000 0.873 426 S HN 0.445 nan 8.310 nan 0.000 0.516 427 P HA -0.200 nan 4.420 nan 0.000 0.215 427 P C 1.706 179.007 177.300 0.001 0.000 1.163 427 P CA 1.550 64.649 63.100 -0.001 0.000 0.894 427 P CB -0.039 31.664 31.700 0.004 0.000 0.791 428 R N 0.474 120.977 120.500 0.005 0.000 2.080 428 R HA -0.186 4.153 4.340 -0.001 0.000 0.236 428 R C 2.090 178.393 176.300 0.004 0.000 1.137 428 R CA 1.985 58.089 56.100 0.006 0.000 0.943 428 R CB -0.680 29.624 30.300 0.007 0.000 0.846 428 R HN 0.178 nan 8.270 nan 0.000 0.431 429 E N -0.340 119.862 120.200 0.003 0.000 2.208 429 E HA -0.116 4.233 4.350 -0.001 0.000 0.193 429 E C 1.895 178.497 176.600 0.002 0.000 0.988 429 E CA 0.773 57.175 56.400 0.003 0.000 0.828 429 E CB 0.017 29.718 29.700 0.002 0.000 0.763 429 E HN 0.536 nan 8.360 nan 0.000 0.478 430 A N 1.675 124.495 122.820 -0.001 0.000 1.898 430 A HA -0.072 4.248 4.320 -0.001 0.000 0.216 430 A C 2.369 179.951 177.584 -0.003 0.000 1.181 430 A CA 1.503 53.537 52.037 -0.004 0.000 0.620 430 A CB -0.509 18.484 19.000 -0.012 0.000 0.819 430 A HN 0.282 nan 8.150 nan 0.000 0.442 431 A N -0.083 122.736 122.820 -0.002 0.000 1.834 431 A HA -0.189 4.130 4.320 -0.001 0.000 0.216 431 A C 2.178 179.765 177.584 0.006 0.000 1.203 431 A CA 1.683 53.720 52.037 -0.001 0.000 0.621 431 A CB -0.709 18.291 19.000 0.001 0.000 0.841 431 A HN 0.505 nan 8.150 nan 0.000 0.446 432 R N -0.652 119.853 120.500 0.009 0.000 2.159 432 R HA -0.237 4.103 4.340 -0.001 0.000 0.249 432 R C 2.379 178.687 176.300 0.013 0.000 1.136 432 R CA 2.033 58.141 56.100 0.013 0.000 0.951 432 R CB -0.395 29.912 30.300 0.010 0.000 0.876 432 R HN 0.418 nan 8.270 nan 0.000 0.440 433 K N 0.334 120.740 120.400 0.011 0.000 1.980 433 K HA -0.170 4.150 4.320 -0.001 0.000 0.223 433 K C 2.135 178.747 176.600 0.019 0.000 1.052 433 K CA 2.340 58.636 56.287 0.014 0.000 0.974 433 K CB -0.539 31.968 32.500 0.012 0.000 0.734 433 K HN 0.268 nan 8.250 nan 0.000 0.447 434 S N 1.108 116.817 115.700 0.015 0.000 2.400 434 S HA -0.174 4.296 4.470 -0.001 0.000 0.232 434 S C 2.024 176.636 174.600 0.020 0.000 1.025 434 S CA 1.272 59.483 58.200 0.018 0.000 0.993 434 S CB -0.246 62.955 63.200 0.001 0.000 0.808 434 S HN 0.178 nan 8.310 nan 0.000 0.478 435 M N 2.001 121.610 119.600 0.016 0.000 2.106 435 M HA -0.052 4.428 4.480 -0.001 0.000 0.259 435 M C 2.468 178.783 176.300 0.026 0.000 1.068 435 M CA 1.711 57.022 55.300 0.019 0.000 1.100 435 M CB -2.244 30.369 32.600 0.022 0.000 1.351 435 M HN 0.521 nan 8.290 nan 0.000 0.404 436 G N -0.694 108.123 108.800 0.027 0.000 2.408 436 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.217 436 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.217 436 G C 1.478 176.402 174.900 0.041 0.000 1.150 436 G CA 0.430 45.547 45.100 0.029 0.000 0.776 436 G HN 0.578 nan 8.290 nan 0.000 0.542 437 Q N -0.083 119.749 119.800 0.054 0.000 2.119 437 Q HA 0.002 4.342 4.340 -0.001 0.000 0.201 437 Q C 2.439 178.511 176.000 0.120 0.000 0.972 437 Q CA 1.378 57.239 55.803 0.097 0.000 0.847 437 Q CB -0.182 28.631 28.738 0.124 0.000 0.903 437 Q HN 0.810 nan 8.270 nan 0.000 0.433 438 I N -3.239 117.374 120.570 0.072 0.000 4.057 438 I HA 0.101 4.271 4.170 -0.001 0.000 0.334 438 I C 1.854 177.998 176.117 0.046 0.000 1.308 438 I CA 0.011 61.343 61.300 0.054 0.000 1.125 438 I CB 0.008 38.012 38.000 0.006 0.000 1.034 438 I HN -0.030 nan 8.210 nan 0.000 0.401 439 Q N 2.222 122.049 119.800 0.045 0.000 2.561 439 Q HA -0.042 4.298 4.340 -0.001 0.000 0.217 439 Q C 1.779 177.814 176.000 0.059 0.000 0.980 439 Q CA 1.253 57.080 55.803 0.039 0.000 0.927 439 Q CB -0.028 28.729 28.738 0.032 0.000 0.980 439 Q HN 0.735 nan 8.270 nan 0.000 0.525 440 G N -1.237 107.614 108.800 0.085 0.000 2.709 440 G HA2 0.099 4.058 3.960 -0.001 0.000 0.208 440 G HA3 0.099 4.058 3.960 -0.001 0.000 0.208 440 G C 1.167 176.168 174.900 0.169 0.000 1.129 440 G CA 0.453 45.642 45.100 0.147 0.000 0.793 440 G HN 0.367 nan 8.290 nan 0.000 0.524 441 A N 0.845 123.720 122.820 0.091 0.000 1.898 441 A HA 0.269 4.589 4.320 -0.001 0.000 0.214 441 A C 2.320 179.930 177.584 0.044 0.000 1.183 441 A CA 0.659 52.732 52.037 0.059 0.000 0.622 441 A CB -0.355 18.643 19.000 -0.003 0.000 0.824 441 A HN 0.281 nan 8.150 nan 0.000 0.444 442 L N -0.419 120.819 121.223 0.025 0.000 1.956 442 L HA -0.206 4.133 4.340 -0.001 0.000 0.216 442 L C 2.513 179.390 176.870 0.011 0.000 1.073 442 L CA 1.627 56.470 54.840 0.005 0.000 0.762 442 L CB -1.021 41.037 42.059 -0.002 0.000 0.889 442 L HN 0.221 nan 8.230 nan 0.000 0.433 443 V N 0.433 120.359 119.914 0.019 0.000 2.392 443 V HA -0.251 3.868 4.120 -0.001 0.000 0.249 443 V C 2.588 178.681 176.094 -0.002 0.000 1.059 443 V CA 1.949 64.248 62.300 -0.002 0.000 1.051 443 V CB -1.362 30.454 31.823 -0.011 0.000 0.658 443 V HN 0.629 nan 8.190 nan 0.000 0.455 444 G N 1.215 110.056 108.800 0.068 0.000 2.639 444 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.216 444 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.216 444 G C 1.468 176.396 174.900 0.047 0.000 1.267 444 G CA 1.552 46.725 45.100 0.122 0.000 0.801 444 G HN 0.603 nan 8.290 nan 0.000 0.592 445 I N -0.314 120.276 120.570 0.035 0.000 2.208 445 I HA -0.059 4.110 4.170 -0.001 0.000 0.245 445 I C 2.937 179.052 176.117 -0.004 0.000 1.097 445 I CA 1.757 63.060 61.300 0.005 0.000 1.363 445 I CB -1.033 36.958 38.000 -0.016 0.000 1.051 445 I HN 0.227 nan 8.210 nan 0.000 0.413 446 A N 1.877 124.692 122.820 -0.008 0.000 1.873 446 A HA -0.235 4.085 4.320 -0.001 0.000 0.218 446 A C 2.477 180.055 177.584 -0.010 0.000 1.193 446 A CA 2.382 54.412 52.037 -0.011 0.000 0.629 446 A CB -0.791 18.198 19.000 -0.018 0.000 0.826 446 A HN 0.492 nan 8.150 nan 0.000 0.447 447 M N -0.420 119.165 119.600 -0.025 0.000 2.082 447 M HA -0.183 4.297 4.480 -0.001 0.000 0.258 447 M C 2.265 178.552 176.300 -0.023 0.000 1.071 447 M CA 2.115 57.391 55.300 -0.041 0.000 1.103 447 M CB -1.064 31.480 32.600 -0.093 0.000 1.307 447 M HN 0.329 nan 8.290 nan 0.000 0.409 448 V N 0.665 120.569 119.914 -0.016 0.000 2.220 448 V HA -0.317 3.802 4.120 -0.001 0.000 0.246 448 V C 2.497 178.598 176.094 0.012 0.000 1.049 448 V CA 1.953 64.247 62.300 -0.010 0.000 1.003 448 V CB -1.095 30.726 31.823 -0.004 0.000 0.634 448 V HN 0.434 nan 8.190 nan 0.000 0.444 449 L N -0.003 121.243 121.223 0.038 0.000 1.971 449 L HA -0.229 4.111 4.340 -0.001 0.000 0.215 449 L C 2.801 179.805 176.870 0.224 0.000 1.072 449 L CA 2.042 56.960 54.840 0.130 0.000 0.758 449 L CB -0.888 41.247 42.059 0.128 0.000 0.889 449 L HN 0.328 nan 8.230 nan 0.000 0.433 450 S N -0.725 115.054 115.700 0.132 0.000 2.393 450 S HA -0.349 4.121 4.470 -0.001 0.000 0.234 450 S C 2.023 176.699 174.600 0.127 0.000 1.064 450 S CA 1.744 60.013 58.200 0.116 0.000 1.088 450 S CB -0.287 62.936 63.200 0.039 0.000 0.939 450 S HN 0.529 nan 8.310 nan 0.000 0.448 451 A N 0.174 123.032 122.820 0.062 0.000 1.929 451 A HA 0.015 4.335 4.320 -0.001 0.000 0.216 451 A C 2.223 179.806 177.584 -0.001 0.000 1.176 451 A CA 1.460 53.511 52.037 0.025 0.000 0.628 451 A CB -0.623 18.371 19.000 -0.010 0.000 0.816 451 A HN 0.427 nan 8.150 nan 0.000 0.444 452 V N -1.518 118.363 119.914 -0.055 0.000 2.594 452 V HA -0.198 3.922 4.120 -0.001 0.000 0.253 452 V C 1.873 177.764 176.094 -0.337 0.000 1.069 452 V CA 1.607 63.763 62.300 -0.240 0.000 1.082 452 V CB -0.981 30.593 31.823 -0.415 0.000 0.680 452 V HN 0.578 nan 8.190 nan 0.000 0.469 453 F N -1.359 118.574 119.950 -0.029 0.000 2.727 453 F HA 0.254 4.781 4.527 -0.001 0.000 0.302 453 F C 1.829 177.640 175.800 0.017 0.000 1.097 453 F CA 0.234 58.221 58.000 -0.022 0.000 1.330 453 F CB -0.071 38.927 39.000 -0.004 0.000 1.084 453 F HN 0.028 nan 8.300 nan 0.000 0.578 454 L N 0.611 121.928 121.223 0.157 0.000 2.023 454 L HA -0.093 4.246 4.340 -0.001 0.000 0.205 454 L C -0.218 176.797 176.870 0.242 0.000 1.073 454 L CA 1.578 56.521 54.840 0.172 0.000 0.745 454 L CB -1.542 40.584 42.059 0.112 0.000 0.900 454 L HN 0.066 nan 8.230 nan 0.000 0.435 455 P HA -0.193 nan 4.420 nan 0.000 0.215 455 P C 1.819 179.366 177.300 0.412 0.000 1.157 455 P CA 1.506 64.740 63.100 0.224 0.000 0.863 455 P CB -0.158 31.625 31.700 0.138 0.000 0.787 456 M N -0.917 118.811 119.600 0.214 0.000 2.153 456 M HA -0.249 4.230 4.480 -0.001 0.000 0.253 456 M C 2.075 178.604 176.300 0.382 0.000 1.081 456 M CA 2.623 57.998 55.300 0.126 0.000 1.076 456 M CB -1.768 30.666 32.600 -0.277 0.000 1.350 456 M HN -0.161 nan 8.290 nan 0.000 0.401 457 A N 0.050 123.070 122.820 0.334 0.000 2.024 457 A HA -0.072 4.248 4.320 -0.001 0.000 0.220 457 A C 1.778 179.466 177.584 0.174 0.000 1.164 457 A CA 1.472 53.652 52.037 0.238 0.000 0.643 457 A CB -1.028 18.045 19.000 0.122 0.000 0.806 457 A HN 0.576 nan 8.150 nan 0.000 0.451 458 F N -1.737 118.320 119.950 0.179 0.000 2.615 458 F HA 0.237 4.764 4.527 -0.001 0.000 0.297 458 F C 0.614 176.450 175.800 0.059 0.000 1.124 458 F CA -0.235 57.814 58.000 0.081 0.000 1.451 458 F CB -0.243 38.752 39.000 -0.009 0.000 1.103 458 F HN 0.053 nan 8.300 nan 0.000 0.569 459 F N 0.009 120.110 119.950 0.251 0.000 2.490 459 F HA 0.409 4.936 4.527 -0.001 0.000 0.336 459 F C 1.228 177.124 175.800 0.160 0.000 1.178 459 F CA 0.078 58.200 58.000 0.204 0.000 1.301 459 F CB -0.002 39.153 39.000 0.258 0.000 1.175 459 F HN -0.125 nan 8.300 nan 0.000 0.593 460 G N -0.537 108.436 108.800 0.289 0.000 2.938 460 G HA2 0.594 4.554 3.960 -0.001 0.000 0.258 460 G HA3 0.594 4.554 3.960 -0.001 0.000 0.258 460 G C -0.229 174.765 174.900 0.158 0.000 1.356 460 G CA -0.368 44.836 45.100 0.174 0.000 1.052 460 G HN 1.161 nan 8.290 nan 0.000 0.550 461 G N -1.557 107.309 108.800 0.110 0.000 2.829 461 G HA2 0.119 4.079 3.960 -0.001 0.000 0.628 461 G HA3 0.119 4.079 3.960 -0.001 0.000 0.628 461 G C 1.258 176.199 174.900 0.069 0.000 1.412 461 G CA 0.666 45.823 45.100 0.095 0.000 0.864 461 G HN 1.922 nan 8.290 nan 0.000 0.544 462 S N -1.457 114.290 115.700 0.078 0.000 2.400 462 S HA -0.175 4.295 4.470 -0.001 0.000 0.232 462 S C 2.347 176.958 174.600 0.018 0.000 1.025 462 S CA 2.755 61.002 58.200 0.078 0.000 0.993 462 S CB -0.557 62.729 63.200 0.144 0.000 0.808 462 S HN 1.888 nan 8.310 nan 0.000 0.478 463 T N 1.479 116.016 114.554 -0.030 0.000 2.737 463 T HA 0.029 4.379 4.350 -0.001 0.000 0.265 463 T C 1.979 176.393 174.700 -0.476 0.000 1.038 463 T CA 1.810 63.717 62.100 -0.321 0.000 1.144 463 T CB -1.308 67.361 68.868 -0.332 0.000 0.866 463 T HN 0.593 nan 8.240 nan 0.000 0.434 464 G N 0.747 109.467 108.800 -0.133 0.000 2.469 464 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.220 464 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.220 464 G C 1.719 176.690 174.900 0.118 0.000 1.136 464 G CA 1.207 46.382 45.100 0.124 0.000 0.759 464 G HN 0.495 nan 8.290 nan 0.000 0.562 465 V N 1.769 121.714 119.914 0.051 0.000 2.255 465 V HA -0.225 3.894 4.120 -0.001 0.000 0.247 465 V C 2.718 178.876 176.094 0.106 0.000 1.051 465 V CA 1.953 64.296 62.300 0.071 0.000 1.018 465 V CB -0.462 31.387 31.823 0.042 0.000 0.641 465 V HN 0.630 nan 8.190 nan 0.000 0.445 466 I N -1.711 118.886 120.570 0.044 0.000 2.315 466 I HA -0.249 3.920 4.170 -0.001 0.000 0.248 466 I C 2.433 178.732 176.117 0.304 0.000 1.117 466 I CA 1.711 63.079 61.300 0.113 0.000 1.404 466 I CB -0.488 37.512 38.000 -0.001 0.000 1.071 466 I HN 0.316 nan 8.210 nan 0.000 0.419 467 Y N 1.332 121.738 120.300 0.178 0.000 2.081 467 Y HA -0.273 4.277 4.550 -0.001 0.000 0.280 467 Y C 2.952 179.020 175.900 0.280 0.000 1.163 467 Y CA 1.418 59.642 58.100 0.205 0.000 1.135 467 Y CB -0.339 38.186 38.460 0.108 0.000 0.970 467 Y HN 0.112 nan 8.280 nan 0.000 0.498 468 R N -0.070 120.670 120.500 0.400 0.000 2.117 468 R HA -0.243 4.097 4.340 -0.001 0.000 0.243 468 R C 2.206 178.681 176.300 0.292 0.000 1.143 468 R CA 1.590 57.882 56.100 0.320 0.000 0.968 468 R CB -0.306 30.181 30.300 0.312 0.000 0.863 468 R HN 0.315 nan 8.270 nan 0.000 0.444 469 Q N -0.123 119.867 119.800 0.317 0.000 2.029 469 Q HA -0.184 4.156 4.340 -0.001 0.000 0.209 469 Q C 1.785 177.732 176.000 -0.088 0.000 0.999 469 Q CA 1.985 57.869 55.803 0.135 0.000 0.857 469 Q CB -0.464 28.278 28.738 0.005 0.000 0.926 469 Q HN 0.306 nan 8.270 nan 0.000 0.415 470 F N -0.293 119.686 119.950 0.048 0.000 2.269 470 F HA -0.142 4.384 4.527 -0.001 0.000 0.301 470 F C 2.474 178.184 175.800 -0.149 0.000 1.082 470 F CA 0.962 58.939 58.000 -0.038 0.000 1.360 470 F CB -0.499 38.546 39.000 0.074 0.000 1.041 470 F HN -0.041 nan 8.300 nan 0.000 0.512 471 S N 0.865 116.638 115.700 0.122 0.000 2.354 471 S HA -0.172 4.298 4.470 -0.001 0.000 0.219 471 S C 2.250 176.749 174.600 -0.169 0.000 1.035 471 S CA 1.680 59.894 58.200 0.023 0.000 1.037 471 S CB -0.476 62.770 63.200 0.077 0.000 0.956 471 S HN 0.379 nan 8.310 nan 0.000 0.428 472 I N 1.237 121.606 120.570 -0.336 0.000 2.286 472 I HA -0.106 4.063 4.170 -0.001 0.000 0.248 472 I C 1.956 177.860 176.117 -0.353 0.000 1.115 472 I CA 1.517 62.549 61.300 -0.448 0.000 1.392 472 I CB -2.526 35.009 38.000 -0.775 0.000 1.065 472 I HN 0.179 nan 8.210 nan 0.000 0.418 473 T N 3.008 117.348 114.554 -0.356 0.000 2.588 473 T HA -0.044 4.305 4.350 -0.001 0.000 0.261 473 T C 2.222 176.764 174.700 -0.263 0.000 1.069 473 T CA 2.290 64.203 62.100 -0.310 0.000 1.172 473 T CB -0.388 68.294 68.868 -0.311 0.000 0.863 473 T HN 0.359 nan 8.240 nan 0.000 0.408 474 I N 0.900 121.285 120.570 -0.308 0.000 2.252 474 I HA -0.118 4.052 4.170 -0.001 0.000 0.245 474 I C 2.591 178.560 176.117 -0.247 0.000 1.102 474 I CA 0.825 61.909 61.300 -0.359 0.000 1.385 474 I CB -0.699 36.828 38.000 -0.788 0.000 1.064 474 I HN 0.074 nan 8.210 nan 0.000 0.414 475 V N 1.321 121.113 119.914 -0.203 0.000 2.287 475 V HA -0.291 3.829 4.120 -0.001 0.000 0.248 475 V C 2.727 178.768 176.094 -0.088 0.000 1.053 475 V CA 2.500 64.746 62.300 -0.090 0.000 1.027 475 V CB -0.804 30.988 31.823 -0.050 0.000 0.646 475 V HN 0.619 nan 8.190 nan 0.000 0.447 476 S N 0.401 116.030 115.700 -0.118 0.000 2.436 476 S HA 0.001 4.471 4.470 -0.001 0.000 0.228 476 S C 2.036 176.589 174.600 -0.079 0.000 1.014 476 S CA 1.031 59.180 58.200 -0.084 0.000 0.950 476 S CB -0.243 62.906 63.200 -0.085 0.000 0.784 476 S HN 0.541 nan 8.310 nan 0.000 0.504 477 A N 2.917 125.672 122.820 -0.108 0.000 1.858 477 A HA 0.007 4.327 4.320 -0.001 0.000 0.216 477 A C 2.369 179.917 177.584 -0.061 0.000 1.190 477 A CA 1.897 53.880 52.037 -0.089 0.000 0.617 477 A CB -0.766 18.169 19.000 -0.109 0.000 0.827 477 A HN 0.487 nan 8.150 nan 0.000 0.443 478 M N -0.213 119.350 119.600 -0.062 0.000 2.108 478 M HA -0.138 4.341 4.480 -0.001 0.000 0.261 478 M C 2.460 178.741 176.300 -0.032 0.000 1.066 478 M CA 1.552 56.828 55.300 -0.039 0.000 1.107 478 M CB -1.770 30.814 32.600 -0.026 0.000 1.356 478 M HN 0.504 nan 8.290 nan 0.000 0.406 479 A N 0.543 123.344 122.820 -0.032 0.000 1.835 479 A HA -0.141 4.178 4.320 -0.001 0.000 0.215 479 A C 2.329 179.897 177.584 -0.026 0.000 1.199 479 A CA 1.502 53.525 52.037 -0.024 0.000 0.615 479 A CB -1.091 17.898 19.000 -0.018 0.000 0.838 479 A HN 0.458 nan 8.150 nan 0.000 0.444 480 L N 0.065 121.272 121.223 -0.026 0.000 2.043 480 L HA -0.259 4.081 4.340 -0.001 0.000 0.212 480 L C 2.945 179.793 176.870 -0.037 0.000 1.075 480 L CA 1.699 56.522 54.840 -0.028 0.000 0.752 480 L CB -0.621 41.425 42.059 -0.021 0.000 0.891 480 L HN 0.598 nan 8.230 nan 0.000 0.432 481 S N -0.437 115.242 115.700 -0.035 0.000 2.378 481 S HA -0.268 4.202 4.470 -0.001 0.000 0.229 481 S C 2.003 176.578 174.600 -0.041 0.000 1.052 481 S CA 2.100 60.279 58.200 -0.035 0.000 1.084 481 S CB -0.549 62.634 63.200 -0.030 0.000 0.950 481 S HN 0.260 nan 8.310 nan 0.000 0.440 482 V N 1.843 121.735 119.914 -0.037 0.000 2.453 482 V HA 0.010 4.130 4.120 -0.001 0.000 0.247 482 V C 2.257 178.323 176.094 -0.047 0.000 1.048 482 V CA 1.734 64.012 62.300 -0.037 0.000 1.049 482 V CB -0.556 31.250 31.823 -0.028 0.000 0.672 482 V HN 0.755 nan 8.190 nan 0.000 0.457 483 I N -1.224 119.316 120.570 -0.051 0.000 2.439 483 I HA -0.079 4.091 4.170 -0.001 0.000 0.251 483 I C 2.093 178.146 176.117 -0.106 0.000 1.139 483 I CA 1.854 63.114 61.300 -0.067 0.000 1.438 483 I CB -0.278 37.688 38.000 -0.058 0.000 1.085 483 I HN 0.094 nan 8.210 nan 0.000 0.427 484 V N 1.903 121.757 119.914 -0.099 0.000 2.427 484 V HA -0.161 3.958 4.120 -0.001 0.000 0.248 484 V C 2.861 178.874 176.094 -0.134 0.000 1.051 484 V CA 1.791 64.014 62.300 -0.129 0.000 1.048 484 V CB -1.179 30.586 31.823 -0.097 0.000 0.666 484 V HN 0.625 nan 8.190 nan 0.000 0.456 485 A N -1.043 121.720 122.820 -0.096 0.000 2.206 485 A HA 0.146 4.465 4.320 -0.001 0.000 0.211 485 A C 2.014 179.554 177.584 -0.073 0.000 1.158 485 A CA 0.820 52.807 52.037 -0.082 0.000 0.761 485 A CB -0.215 18.749 19.000 -0.060 0.000 0.801 485 A HN 0.522 nan 8.150 nan 0.000 0.473 486 L N -1.419 119.757 121.223 -0.077 0.000 2.575 486 L HA 0.254 4.593 4.340 -0.001 0.000 0.228 486 L C 1.825 178.655 176.870 -0.066 0.000 1.075 486 L CA 0.372 55.186 54.840 -0.044 0.000 0.867 486 L CB 0.058 42.106 42.059 -0.018 0.000 1.097 486 L HN 0.332 nan 8.230 nan 0.000 0.485 487 I N -1.299 119.147 120.570 -0.207 0.000 3.445 487 I HA -0.065 4.105 4.170 -0.001 0.000 0.288 487 I C 1.956 177.799 176.117 -0.457 0.000 1.198 487 I CA 0.528 61.534 61.300 -0.490 0.000 1.417 487 I CB 0.706 38.238 38.000 -0.780 0.000 1.205 487 I HN 0.149 nan 8.210 nan 0.000 0.448 488 L N 0.309 121.324 121.223 -0.347 0.000 2.356 488 L HA -0.039 4.301 4.340 -0.001 0.000 0.193 488 L C 2.711 179.412 176.870 -0.282 0.000 1.087 488 L CA 1.375 55.987 54.840 -0.380 0.000 0.817 488 L CB -0.130 41.662 42.059 -0.445 0.000 1.035 488 L HN 0.242 nan 8.230 nan 0.000 0.482 489 T N -0.514 113.915 114.554 -0.209 0.000 2.788 489 T HA -0.056 4.293 4.350 -0.001 0.000 0.268 489 T C -0.572 174.069 174.700 -0.098 0.000 1.044 489 T CA 1.029 63.041 62.100 -0.148 0.000 1.139 489 T CB -0.955 67.846 68.868 -0.111 0.000 0.867 489 T HN 0.097 nan 8.240 nan 0.000 0.454 490 P HA 0.055 nan 4.420 nan 0.000 0.214 490 P C 1.798 179.080 177.300 -0.031 0.000 1.163 490 P CA 1.737 64.814 63.100 -0.038 0.000 0.883 490 P CB -0.502 31.191 31.700 -0.011 0.000 0.788 491 A N -0.802 121.996 122.820 -0.036 0.000 1.978 491 A HA -0.186 4.133 4.320 -0.001 0.000 0.220 491 A C 2.225 179.793 177.584 -0.026 0.000 1.170 491 A CA 1.550 53.576 52.037 -0.018 0.000 0.636 491 A CB -1.739 17.253 19.000 -0.014 0.000 0.810 491 A HN 0.122 nan 8.150 nan 0.000 0.448 492 L N -1.145 120.032 121.223 -0.076 0.000 2.093 492 L HA -0.214 4.126 4.340 -0.001 0.000 0.208 492 L C 2.685 179.556 176.870 0.002 0.000 1.085 492 L CA 1.063 55.880 54.840 -0.038 0.000 0.755 492 L CB -0.655 41.347 42.059 -0.095 0.000 0.904 492 L HN 0.476 nan 8.230 nan 0.000 0.435 493 C N -0.009 119.281 119.300 -0.017 0.000 2.413 493 C HA -0.189 4.271 4.460 -0.001 0.000 0.276 493 C C 2.935 177.929 174.990 0.006 0.000 1.248 493 C CA 0.917 59.930 59.018 -0.008 0.000 1.742 493 C CB -1.079 26.649 27.740 -0.020 0.000 2.017 493 C HN 0.605 nan 8.230 nan 0.000 0.481 494 A N -0.152 122.674 122.820 0.010 0.000 2.239 494 A HA 0.011 4.331 4.320 -0.001 0.000 0.209 494 A C 1.860 179.463 177.584 0.032 0.000 1.171 494 A CA 1.896 53.943 52.037 0.017 0.000 0.768 494 A CB -0.496 18.514 19.000 0.017 0.000 0.790 494 A HN 0.738 nan 8.150 nan 0.000 0.478 495 T N -6.226 108.355 114.554 0.045 0.000 3.046 495 T HA 0.326 4.676 4.350 -0.001 0.000 0.270 495 T C 1.054 175.798 174.700 0.072 0.000 0.920 495 T CA 0.205 62.344 62.100 0.064 0.000 0.874 495 T CB -0.099 68.825 68.868 0.094 0.000 1.214 495 T HN 0.222 nan 8.240 nan 0.000 0.536 496 M N 0.732 120.372 119.600 0.067 0.000 2.300 496 M HA 0.468 4.948 4.480 -0.001 0.000 0.313 496 M C -0.364 175.969 176.300 0.054 0.000 0.988 496 M CA -0.038 55.307 55.300 0.075 0.000 1.012 496 M CB 1.031 33.691 32.600 0.099 0.000 1.586 496 M HN 0.100 nan 8.290 nan 0.000 0.562 497 L N 1.928 123.172 121.223 0.034 0.000 2.276 497 L HA 0.312 4.652 4.340 -0.001 0.000 0.286 497 L C 0.201 177.080 176.870 0.016 0.000 1.061 497 L CA -0.361 54.489 54.840 0.017 0.000 0.807 497 L CB 1.074 43.133 42.059 0.000 0.000 1.177 497 L HN 0.061 nan 8.230 nan 0.000 0.429 498 K N 4.669 125.077 120.400 0.014 0.000 2.379 498 K HA 0.206 4.526 4.320 -0.001 0.000 0.284 498 K C -2.209 174.391 176.600 0.001 0.000 1.044 498 K CA -1.566 54.729 56.287 0.013 0.000 0.974 498 K CB 0.409 32.919 32.500 0.017 0.000 0.962 498 K HN 0.259 nan 8.250 nan 0.000 0.474 499 P HA 0.039 nan 4.420 nan 0.000 0.269 499 P C -0.465 176.830 177.300 -0.009 0.000 1.209 499 P CA 0.004 63.102 63.100 -0.004 0.000 0.776 499 P CB 0.395 32.096 31.700 0.002 0.000 0.876 500 I N -2.495 118.063 120.570 -0.020 0.000 2.865 500 I HA 0.549 4.718 4.170 -0.001 0.000 0.302 500 I C -0.506 175.595 176.117 -0.027 0.000 1.140 500 I CA -1.287 59.998 61.300 -0.025 0.000 1.021 500 I CB 2.590 40.565 38.000 -0.042 0.000 1.233 500 I HN 0.187 nan 8.210 nan 0.000 0.427 501 E N 2.794 122.982 120.200 -0.020 0.000 2.318 501 E HA 0.327 4.676 4.350 -0.001 0.000 0.265 501 E C -0.886 175.697 176.600 -0.029 0.000 1.069 501 E CA -0.936 55.455 56.400 -0.015 0.000 0.893 501 E CB 1.067 30.767 29.700 0.000 0.000 1.076 501 E HN 0.442 nan 8.360 nan 0.000 0.414 502 K N 0.262 120.650 120.400 -0.020 0.000 2.469 502 K HA 0.142 4.461 4.320 -0.001 0.000 0.274 502 K C 0.913 177.513 176.600 0.001 0.000 0.983 502 K CA 0.833 57.105 56.287 -0.025 0.000 0.974 502 K CB 0.181 32.684 32.500 0.004 0.000 0.913 502 K HN 0.834 nan 8.250 nan 0.000 0.493 503 G N 1.980 110.782 108.800 0.002 0.000 2.199 503 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.254 503 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.254 503 G C 0.210 175.185 174.900 0.124 0.000 0.982 503 G CA 0.257 45.440 45.100 0.139 0.000 0.632 503 G HN 0.717 nan 8.290 nan 0.000 0.529 504 D N 0.887 121.279 120.400 -0.014 0.000 2.368 504 D HA 0.156 4.796 4.640 -0.001 0.000 0.250 504 D C 0.926 177.183 176.300 -0.072 0.000 1.142 504 D CA 0.013 54.000 54.000 -0.021 0.000 0.925 504 D CB -0.526 40.242 40.800 -0.053 0.000 0.896 504 D HN 0.704 nan 8.370 nan 0.000 0.525 505 H N -0.038 119.022 119.070 -0.017 0.000 3.232 505 H HA 0.055 4.610 4.556 -0.001 0.000 0.276 505 H C 1.835 176.922 175.328 -0.402 0.000 0.882 505 H CA 1.058 57.054 56.048 -0.085 0.000 1.415 505 H CB 0.027 29.852 29.762 0.104 0.000 1.405 505 H HN 0.233 nan 8.280 nan 0.000 0.543 506 G N 3.230 111.919 108.800 -0.186 0.000 2.280 506 G HA2 -0.439 3.521 3.960 -0.001 0.000 0.282 506 G HA3 -0.439 3.521 3.960 -0.001 0.000 0.282 506 G C 0.128 174.841 174.900 -0.312 0.000 1.000 506 G CA 0.746 45.696 45.100 -0.250 0.000 0.751 506 G HN 0.956 nan 8.290 nan 0.000 0.515 507 E N -2.012 118.026 120.200 -0.270 0.000 2.332 507 E HA -0.271 4.079 4.350 -0.001 0.000 0.162 507 E C 0.600 177.136 176.600 -0.106 0.000 1.637 507 E CA 0.600 56.921 56.400 -0.133 0.000 0.654 507 E CB -1.342 28.327 29.700 -0.051 0.000 1.072 507 E HN 0.882 nan 8.360 nan 0.000 0.336 508 H N 0.450 119.556 119.070 0.059 0.000 2.568 508 H HA 0.005 4.560 4.556 -0.001 0.000 0.281 508 H C 0.107 175.474 175.328 0.066 0.000 1.028 508 H CA 0.870 56.950 56.048 0.054 0.000 1.199 508 H CB 0.178 29.969 29.762 0.048 0.000 1.352 508 H HN 0.145 nan 8.280 nan 0.000 0.605 509 K N 0.789 121.278 120.400 0.149 0.000 2.527 509 K HA 0.513 4.833 4.320 -0.001 0.000 0.240 509 K C -0.192 176.477 176.600 0.116 0.000 0.989 509 K CA -0.378 55.985 56.287 0.127 0.000 0.985 509 K CB 1.999 34.565 32.500 0.111 0.000 1.221 509 K HN 0.292 nan 8.250 nan 0.000 0.458 510 G N 0.469 109.346 108.800 0.128 0.000 2.428 510 G HA2 0.431 4.391 3.960 -0.001 0.000 0.304 510 G HA3 0.431 4.391 3.960 -0.001 0.000 0.304 510 G C -0.143 174.837 174.900 0.133 0.000 1.303 510 G CA -0.384 44.799 45.100 0.139 0.000 0.825 510 G HN 0.473 nan 8.290 nan 0.000 0.484 511 G N -0.604 108.270 108.800 0.123 0.000 3.078 511 G HA2 0.318 4.278 3.960 -0.001 0.000 0.163 511 G HA3 0.318 4.278 3.960 -0.001 0.000 0.163 511 G C 1.330 176.311 174.900 0.135 0.000 1.894 511 G CA 0.989 46.151 45.100 0.103 0.000 0.951 511 G HN 0.858 nan 8.290 nan 0.000 0.446 512 F N 0.568 120.480 119.950 -0.063 0.000 2.095 512 F HA -0.032 4.494 4.527 -0.001 0.000 0.298 512 F C 2.505 178.398 175.800 0.155 0.000 1.104 512 F CA 1.788 59.776 58.000 -0.020 0.000 1.232 512 F CB -0.508 38.369 39.000 -0.205 0.000 0.987 512 F HN 0.188 nan 8.300 nan 0.000 0.475 513 F N 0.807 120.740 119.950 -0.029 0.000 2.192 513 F HA -0.182 4.345 4.527 -0.001 0.000 0.301 513 F C 2.664 178.417 175.800 -0.079 0.000 1.079 513 F CA 0.534 58.449 58.000 -0.141 0.000 1.303 513 F CB -1.237 37.785 39.000 0.037 0.000 1.024 513 F HN 0.194 nan 8.300 nan 0.000 0.494 514 G N 0.751 109.656 108.800 0.175 0.000 2.545 514 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.217 514 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.217 514 G C 1.432 176.410 174.900 0.131 0.000 1.218 514 G CA 0.763 45.952 45.100 0.149 0.000 0.787 514 G HN 0.612 nan 8.290 nan 0.000 0.571 515 W N 0.693 121.981 121.300 -0.020 0.000 2.304 515 W HA -0.235 4.424 4.660 -0.001 0.000 0.315 515 W C 2.068 178.582 176.519 -0.008 0.000 1.233 515 W CA 1.737 59.075 57.345 -0.012 0.000 1.261 515 W CB -0.729 28.721 29.460 -0.016 0.000 1.150 515 W HN 0.192 nan 8.180 nan 0.000 0.494 516 F N 2.801 122.508 119.950 -0.405 0.000 2.051 516 F HA -0.249 4.278 4.527 -0.001 0.000 0.296 516 F C 2.361 177.975 175.800 -0.309 0.000 1.122 516 F CA 2.568 60.274 58.000 -0.489 0.000 1.201 516 F CB -1.228 37.490 39.000 -0.469 0.000 0.978 516 F HN -0.188 nan 8.300 nan 0.000 0.472 517 N N 0.679 119.250 118.700 -0.214 0.000 2.137 517 N HA -0.209 4.531 4.740 -0.001 0.000 0.190 517 N C 1.916 177.330 175.510 -0.159 0.000 1.017 517 N CA 1.740 54.661 53.050 -0.213 0.000 0.859 517 N CB -0.437 37.988 38.487 -0.105 0.000 1.002 517 N HN 0.418 nan 8.380 nan 0.000 0.428 518 R N 0.262 120.690 120.500 -0.120 0.000 2.075 518 R HA 0.045 4.385 4.340 -0.001 0.000 0.232 518 R C 2.289 178.439 176.300 -0.251 0.000 1.126 518 R CA 0.766 56.822 56.100 -0.075 0.000 0.963 518 R CB -0.299 29.976 30.300 -0.042 0.000 0.858 518 R HN 0.188 nan 8.270 nan 0.000 0.435 519 M N 0.095 119.387 119.600 -0.514 0.000 2.149 519 M HA -0.174 4.306 4.480 -0.001 0.000 0.261 519 M C 1.599 177.691 176.300 -0.347 0.000 1.064 519 M CA 1.787 56.725 55.300 -0.603 0.000 1.102 519 M CB -0.224 31.802 32.600 -0.957 0.000 1.369 519 M HN 0.128 nan 8.290 nan 0.000 0.408 520 F N 0.548 120.169 119.950 -0.547 0.000 2.188 520 F HA 0.093 4.620 4.527 -0.001 0.000 0.289 520 F C 1.710 177.348 175.800 -0.271 0.000 1.082 520 F CA 0.837 58.578 58.000 -0.433 0.000 1.282 520 F CB -0.265 38.373 39.000 -0.603 0.000 1.060 520 F HN -0.023 nan 8.300 nan 0.000 0.493 521 L N -0.173 120.984 121.223 -0.110 0.000 2.821 521 L HA -0.050 4.289 4.340 -0.001 0.000 0.254 521 L C 1.146 177.954 176.870 -0.104 0.000 1.151 521 L CA 0.330 55.098 54.840 -0.120 0.000 0.937 521 L CB -0.778 41.312 42.059 0.051 0.000 1.141 521 L HN 0.177 nan 8.230 nan 0.000 0.425 522 S N -2.402 113.217 115.700 -0.135 0.000 3.056 522 S HA -0.071 4.399 4.470 -0.001 0.000 0.255 522 S C 1.792 176.356 174.600 -0.060 0.000 1.079 522 S CA 0.462 58.669 58.200 0.011 0.000 0.810 522 S CB 0.495 63.674 63.200 -0.035 0.000 0.810 522 S HN 0.352 nan 8.310 nan 0.000 0.477 523 T N 2.811 117.250 114.554 -0.192 0.000 2.915 523 T HA -0.096 4.254 4.350 -0.001 0.000 0.269 523 T C 2.017 176.579 174.700 -0.229 0.000 1.071 523 T CA 2.156 64.150 62.100 -0.176 0.000 1.132 523 T CB -0.698 68.056 68.868 -0.189 0.000 0.878 523 T HN 0.622 nan 8.240 nan 0.000 0.479 524 T N -1.291 112.993 114.554 -0.450 0.000 2.833 524 T HA -0.155 4.195 4.350 -0.001 0.000 0.269 524 T C 1.571 176.160 174.700 -0.185 0.000 1.054 524 T CA 1.742 63.608 62.100 -0.391 0.000 1.135 524 T CB -0.736 67.806 68.868 -0.544 0.000 0.869 524 T HN 0.650 nan 8.240 nan 0.000 0.466 525 H N 1.050 120.067 119.070 -0.089 0.000 2.357 525 H HA 0.204 4.759 4.556 -0.001 0.000 0.301 525 H C 2.759 178.070 175.328 -0.028 0.000 1.082 525 H CA 0.964 56.976 56.048 -0.060 0.000 1.342 525 H CB -0.609 29.111 29.762 -0.070 0.000 1.389 525 H HN 0.493 nan 8.280 nan 0.000 0.511 526 G N 0.168 109.035 108.800 0.112 0.000 2.440 526 G HA2 -0.371 3.589 3.960 -0.001 0.000 0.218 526 G HA3 -0.371 3.589 3.960 -0.001 0.000 0.218 526 G C 1.544 176.539 174.900 0.159 0.000 1.154 526 G CA 1.093 46.255 45.100 0.102 0.000 0.767 526 G HN 0.465 nan 8.290 nan 0.000 0.552 527 Y N 1.666 121.993 120.300 0.044 0.000 2.207 527 Y HA -0.114 4.435 4.550 -0.001 0.000 0.287 527 Y C 2.606 178.556 175.900 0.083 0.000 1.156 527 Y CA 1.969 60.130 58.100 0.101 0.000 1.182 527 Y CB -0.324 38.075 38.460 -0.102 0.000 0.979 527 Y HN 0.401 nan 8.280 nan 0.000 0.521 528 E N 0.135 120.230 120.200 -0.175 0.000 2.012 528 E HA -0.261 4.089 4.350 -0.001 0.000 0.197 528 E C 2.262 178.777 176.600 -0.142 0.000 1.007 528 E CA 1.616 57.876 56.400 -0.235 0.000 0.816 528 E CB -0.274 29.376 29.700 -0.082 0.000 0.762 528 E HN 0.473 nan 8.360 nan 0.000 0.451 529 R N 0.227 120.698 120.500 -0.047 0.000 2.140 529 R HA -0.195 4.145 4.340 -0.001 0.000 0.250 529 R C 2.487 178.761 176.300 -0.043 0.000 1.150 529 R CA 1.381 57.461 56.100 -0.034 0.000 0.966 529 R CB -0.769 29.529 30.300 -0.003 0.000 0.869 529 R HN 0.263 nan 8.270 nan 0.000 0.445 530 G N 0.522 109.321 108.800 -0.002 0.000 2.480 530 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.216 530 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.216 530 G C 1.494 176.356 174.900 -0.063 0.000 1.200 530 G CA 1.084 46.187 45.100 0.004 0.000 0.782 530 G HN 0.163 nan 8.290 nan 0.000 0.554 531 V N 1.858 121.724 119.914 -0.080 0.000 2.287 531 V HA -0.180 3.939 4.120 -0.001 0.000 0.248 531 V C 3.382 179.360 176.094 -0.193 0.000 1.053 531 V CA 2.171 64.372 62.300 -0.165 0.000 1.027 531 V CB -1.177 30.453 31.823 -0.321 0.000 0.646 531 V HN 0.503 nan 8.190 nan 0.000 0.447 532 A N -0.438 122.281 122.820 -0.169 0.000 1.917 532 A HA -0.301 4.019 4.320 -0.001 0.000 0.219 532 A C 2.566 180.056 177.584 -0.157 0.000 1.182 532 A CA 2.615 54.564 52.037 -0.146 0.000 0.633 532 A CB -0.895 18.038 19.000 -0.111 0.000 0.819 532 A HN 0.517 nan 8.150 nan 0.000 0.448 533 S N -0.108 115.511 115.700 -0.134 0.000 2.344 533 S HA -0.177 4.293 4.470 -0.001 0.000 0.217 533 S C 2.071 176.568 174.600 -0.172 0.000 1.033 533 S CA 1.576 59.718 58.200 -0.097 0.000 1.017 533 S CB -0.654 62.533 63.200 -0.023 0.000 0.941 533 S HN 0.828 nan 8.310 nan 0.000 0.430 534 I N 0.095 120.463 120.570 -0.337 0.000 2.335 534 I HA -0.112 4.058 4.170 -0.001 0.000 0.251 534 I C 2.026 177.858 176.117 -0.475 0.000 1.129 534 I CA 1.550 62.451 61.300 -0.666 0.000 1.402 534 I CB -0.383 36.849 38.000 -1.280 0.000 1.069 534 I HN 0.309 nan 8.210 nan 0.000 0.424 535 L N 0.734 121.747 121.223 -0.351 0.000 2.265 535 L HA -0.140 4.199 4.340 -0.001 0.000 0.215 535 L C 2.550 179.267 176.870 -0.256 0.000 1.117 535 L CA 1.395 56.075 54.840 -0.268 0.000 0.782 535 L CB -0.429 41.509 42.059 -0.201 0.000 0.914 535 L HN 0.304 nan 8.230 nan 0.000 0.441 536 K N -1.133 119.073 120.400 -0.324 0.000 2.166 536 K HA 0.009 4.329 4.320 -0.001 0.000 0.201 536 K C 0.118 176.417 176.600 -0.501 0.000 1.052 536 K CA 0.626 56.650 56.287 -0.438 0.000 0.969 536 K CB 0.133 32.279 32.500 -0.591 0.000 0.761 536 K HN 0.368 nan 8.250 nan 0.000 0.459 537 H N 0.436 119.430 119.070 -0.125 0.000 2.556 537 H HA 0.264 4.820 4.556 -0.001 0.000 0.240 537 H C 0.433 175.718 175.328 -0.070 0.000 1.543 537 H CA -0.441 55.571 56.048 -0.060 0.000 1.287 537 H CB 0.723 30.490 29.762 0.009 0.000 1.529 537 H HN 0.038 nan 8.280 nan 0.000 0.553 538 R N 1.377 121.867 120.500 -0.017 0.000 2.048 538 R HA 0.023 4.363 4.340 -0.001 0.000 0.224 538 R C 2.333 178.670 176.300 0.061 0.000 1.163 538 R CA 0.939 57.009 56.100 -0.051 0.000 0.956 538 R CB -0.287 29.957 30.300 -0.093 0.000 0.849 538 R HN 0.505 nan 8.270 nan 0.000 0.435 539 A N 2.514 125.369 122.820 0.058 0.000 1.944 539 A HA -0.207 4.113 4.320 -0.001 0.000 0.222 539 A C -0.316 177.336 177.584 0.112 0.000 1.237 539 A CA 2.179 54.261 52.037 0.075 0.000 0.668 539 A CB -1.826 17.209 19.000 0.057 0.000 0.830 539 A HN 0.279 nan 8.150 nan 0.000 0.471 540 P HA -0.188 nan 4.420 nan 0.000 0.215 540 P C 1.164 178.521 177.300 0.096 0.000 1.157 540 P CA 1.670 64.827 63.100 0.096 0.000 0.868 540 P CB -0.337 31.416 31.700 0.089 0.000 0.788 541 Y N -0.172 120.130 120.300 0.003 0.000 2.163 541 Y HA -0.108 4.442 4.550 -0.001 0.000 0.288 541 Y C 2.622 178.703 175.900 0.302 0.000 1.136 541 Y CA 0.299 58.411 58.100 0.019 0.000 1.147 541 Y CB -1.039 37.149 38.460 -0.452 0.000 0.987 541 Y HN -0.234 nan 8.280 nan 0.000 0.509 542 L N 0.045 121.454 121.223 0.310 0.000 2.270 542 L HA -0.255 4.085 4.340 -0.001 0.000 0.217 542 L C 1.941 179.021 176.870 0.350 0.000 1.107 542 L CA 1.678 56.698 54.840 0.299 0.000 0.772 542 L CB -1.407 40.735 42.059 0.139 0.000 0.902 542 L HN 0.412 nan 8.230 nan 0.000 0.439 543 L N -0.557 120.825 121.223 0.266 0.000 2.034 543 L HA -0.124 4.215 4.340 -0.001 0.000 0.203 543 L C 2.492 179.477 176.870 0.192 0.000 1.074 543 L CA 0.961 55.914 54.840 0.189 0.000 0.748 543 L CB -0.412 41.710 42.059 0.106 0.000 0.905 543 L HN 0.193 nan 8.230 nan 0.000 0.439 544 I N -1.946 118.752 120.570 0.213 0.000 2.567 544 I HA -0.320 3.849 4.170 -0.001 0.000 0.257 544 I C 2.579 178.774 176.117 0.130 0.000 1.184 544 I CA 1.350 62.746 61.300 0.160 0.000 1.451 544 I CB -0.337 37.759 38.000 0.160 0.000 1.089 544 I HN 0.223 nan 8.210 nan 0.000 0.441 545 Y N 1.961 122.326 120.300 0.109 0.000 2.114 545 Y HA -0.192 4.357 4.550 -0.001 0.000 0.284 545 Y C 2.372 178.266 175.900 -0.010 0.000 1.143 545 Y CA 2.370 60.404 58.100 -0.109 0.000 1.135 545 Y CB -0.691 37.842 38.460 0.123 0.000 0.980 545 Y HN 0.002 nan 8.280 nan 0.000 0.499 546 V N -0.377 119.594 119.914 0.096 0.000 2.380 546 V HA -0.352 3.768 4.120 -0.001 0.000 0.251 546 V C 2.396 178.424 176.094 -0.110 0.000 1.063 546 V CA 1.694 63.976 62.300 -0.030 0.000 1.055 546 V CB -1.015 30.872 31.823 0.105 0.000 0.657 546 V HN 0.418 nan 8.190 nan 0.000 0.455 547 V N 0.646 120.521 119.914 -0.065 0.000 2.220 547 V HA -0.290 3.829 4.120 -0.001 0.000 0.246 547 V C 2.306 178.320 176.094 -0.132 0.000 1.049 547 V CA 2.653 64.905 62.300 -0.080 0.000 1.003 547 V CB -0.572 31.222 31.823 -0.048 0.000 0.634 547 V HN 0.678 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 -0.163 4.006 4.170 -0.001 0.000 0.251 548 I C 2.264 178.256 176.117 -0.209 0.000 1.133 548 I CA 1.640 62.831 61.300 -0.180 0.000 1.413 548 I CB -0.494 37.384 38.000 -0.204 0.000 1.073 548 I HN 0.118 nan 8.210 nan 0.000 0.424 549 V N 2.142 121.855 119.914 -0.335 0.000 2.380 549 V HA -0.335 3.785 4.120 -0.001 0.000 0.251 549 V C 3.105 179.110 176.094 -0.148 0.000 1.063 549 V CA 2.192 64.305 62.300 -0.312 0.000 1.055 549 V CB -1.208 30.352 31.823 -0.439 0.000 0.657 549 V HN 0.687 nan 8.190 nan 0.000 0.455 550 A N 0.197 122.950 122.820 -0.111 0.000 1.873 550 A HA -0.066 4.254 4.320 -0.001 0.000 0.215 550 A C 2.452 180.055 177.584 0.033 0.000 1.186 550 A CA 1.763 53.781 52.037 -0.032 0.000 0.616 550 A CB -1.266 17.708 19.000 -0.043 0.000 0.823 550 A HN 0.539 nan 8.150 nan 0.000 0.442 551 G N -0.727 108.064 108.800 -0.016 0.000 2.475 551 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.220 551 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.220 551 G C 1.598 176.584 174.900 0.142 0.000 1.125 551 G CA 1.305 46.429 45.100 0.040 0.000 0.755 551 G HN 0.482 nan 8.290 nan 0.000 0.565 552 M N 0.817 120.453 119.600 0.060 0.000 2.081 552 M HA 0.034 4.514 4.480 -0.001 0.000 0.261 552 M C 2.514 178.890 176.300 0.128 0.000 1.075 552 M CA 1.459 56.803 55.300 0.073 0.000 1.133 552 M CB -0.230 32.359 32.600 -0.019 0.000 1.330 552 M HN 0.357 nan 8.290 nan 0.000 0.414 553 I N -1.985 118.630 120.570 0.075 0.000 3.241 553 I HA -0.199 3.971 4.170 -0.001 0.000 0.280 553 I C 2.019 178.237 176.117 0.169 0.000 1.320 553 I CA 0.531 61.869 61.300 0.064 0.000 1.413 553 I CB -0.993 37.007 38.000 -0.000 0.000 1.060 553 I HN 0.597 nan 8.210 nan 0.000 0.500 554 W N 1.965 123.280 121.300 0.025 0.000 2.783 554 W HA 0.008 4.668 4.660 -0.001 0.000 0.287 554 W C 2.261 178.814 176.519 0.057 0.000 1.085 554 W CA 0.248 57.611 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 -0.017 nan 8.180 nan 0.000 0.548 555 M N 0.793 120.537 119.600 0.240 0.000 2.089 555 M HA -0.258 4.221 4.480 -0.001 0.000 0.257 555 M C 2.233 178.527 176.300 -0.009 0.000 1.071 555 M CA 1.869 57.220 55.300 0.085 0.000 1.096 555 M CB -2.029 30.674 32.600 0.171 0.000 1.330 555 M HN 0.085 nan 8.290 nan 0.000 0.403 556 F N 0.698 120.620 119.950 -0.046 0.000 2.091 556 F HA -0.264 4.263 4.527 -0.001 0.000 0.299 556 F C 2.601 178.338 175.800 -0.106 0.000 1.103 556 F CA 2.079 60.053 58.000 -0.044 0.000 1.228 556 F CB -0.260 38.728 39.000 -0.020 0.000 0.984 556 F HN 0.149 nan 8.300 nan 0.000 0.477 557 T N -0.188 114.444 114.554 0.130 0.000 3.160 557 T HA 0.025 4.375 4.350 -0.001 0.000 0.257 557 T C 1.281 175.860 174.700 -0.202 0.000 1.147 557 T CA 0.440 62.537 62.100 -0.005 0.000 1.064 557 T CB -0.312 68.516 68.868 -0.067 0.000 0.949 557 T HN 0.207 nan 8.240 nan 0.000 0.526 558 R N 1.185 121.509 120.500 -0.294 0.000 2.700 558 R HA 0.354 4.694 4.340 -0.001 0.000 0.399 558 R C -0.295 175.859 176.300 -0.242 0.000 1.115 558 R CA -0.145 55.760 56.100 -0.327 0.000 1.058 558 R CB 0.367 30.355 30.300 -0.519 0.000 1.389 558 R HN 0.514 nan 8.270 nan 0.000 0.582 559 I N -2.391 118.030 120.570 -0.249 0.000 2.608 559 I HA 0.605 4.775 4.170 -0.001 0.000 0.295 559 I C -2.731 173.235 176.117 -0.253 0.000 1.049 559 I CA -2.872 58.268 61.300 -0.266 0.000 1.063 559 I CB 2.179 39.960 38.000 -0.366 0.000 1.248 559 I HN -0.176 nan 8.210 nan 0.000 0.424 560 P HA 0.063 nan 4.420 nan 0.000 0.263 560 P C -0.259 176.938 177.300 -0.170 0.000 1.195 560 P CA 0.135 63.139 63.100 -0.159 0.000 0.762 560 P CB 0.499 32.123 31.700 -0.128 0.000 0.799 561 T N 1.874 116.353 114.554 -0.125 0.000 2.832 561 T HA 0.588 4.938 4.350 -0.001 0.000 0.296 561 T C -0.147 174.521 174.700 -0.053 0.000 0.968 561 T CA -0.097 61.948 62.100 -0.092 0.000 1.107 561 T CB -0.037 68.793 68.868 -0.064 0.000 0.916 561 T HN 0.439 nan 8.240 nan 0.000 0.517 562 A N 3.858 126.670 122.820 -0.012 0.000 2.525 562 A HA 0.840 5.160 4.320 -0.001 0.000 0.291 562 A C -0.499 177.176 177.584 0.152 0.000 1.268 562 A CA -0.779 51.286 52.037 0.047 0.000 0.712 562 A CB 0.856 19.873 19.000 0.028 0.000 1.320 562 A HN 0.819 nan 8.150 nan 0.000 0.456 563 F N -0.895 119.061 119.950 0.009 0.000 2.199 563 F HA 0.635 5.161 4.527 -0.001 0.000 0.244 563 F C -0.462 175.402 175.800 0.107 0.000 1.027 563 F CA 0.106 58.122 58.000 0.028 0.000 1.207 563 F CB 0.131 39.127 39.000 -0.006 0.000 1.500 563 F HN 0.347 nan 8.300 nan 0.000 0.622 564 L N 1.382 122.643 121.223 0.063 0.000 2.354 564 L HA 0.478 4.817 4.340 -0.001 0.000 0.269 564 L C -2.464 174.478 176.870 0.120 0.000 1.005 564 L CA -2.068 52.798 54.840 0.044 0.000 0.819 564 L CB 1.764 43.833 42.059 0.016 0.000 1.311 564 L HN -0.008 nan 8.230 nan 0.000 0.423 565 P HA 0.095 nan 4.420 nan 0.000 0.271 565 P C -1.158 176.190 177.300 0.079 0.000 1.220 565 P CA -0.396 62.726 63.100 0.036 0.000 0.768 565 P CB 0.342 32.011 31.700 -0.052 0.000 0.848 566 D N 2.530 122.964 120.400 0.058 0.000 2.449 566 D HA 0.046 4.686 4.640 -0.001 0.000 0.236 566 D C 0.271 176.741 176.300 0.285 0.000 1.149 566 D CA 0.836 54.935 54.000 0.166 0.000 0.878 566 D CB 0.455 41.161 40.800 -0.157 0.000 1.198 566 D HN 0.381 nan 8.370 nan 0.000 0.446 567 E N 0.942 121.438 120.200 0.493 0.000 2.274 567 E HA 0.056 4.405 4.350 -0.001 0.000 0.269 567 E C -1.161 175.636 176.600 0.329 0.000 0.891 567 E CA -0.709 55.914 56.400 0.372 0.000 0.784 567 E CB 2.069 31.895 29.700 0.211 0.000 1.225 567 E HN 0.295 nan 8.360 nan 0.000 0.412 568 D N 2.690 123.276 120.400 0.310 0.000 2.426 568 D HA -0.072 4.568 4.640 -0.001 0.000 0.261 568 D C -0.158 176.394 176.300 0.420 0.000 1.245 568 D CA 0.984 55.116 54.000 0.220 0.000 0.917 568 D CB 0.619 41.602 40.800 0.305 0.000 1.123 568 D HN 0.431 nan 8.370 nan 0.000 0.508 569 Q N 1.971 121.987 119.800 0.360 0.000 2.165 569 Q HA 0.271 4.611 4.340 -0.001 0.000 0.245 569 Q C 0.969 177.140 176.000 0.285 0.000 0.841 569 Q CA -0.120 55.978 55.803 0.492 0.000 1.078 569 Q CB 0.645 29.571 28.738 0.312 0.000 1.169 569 Q HN 0.752 nan 8.270 nan 0.000 0.475 570 G N 0.453 109.268 108.800 0.025 0.000 2.321 570 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.287 570 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.287 570 G C -0.183 174.628 174.900 -0.149 0.000 1.018 570 G CA 0.615 45.531 45.100 -0.307 0.000 0.855 570 G HN 0.278 nan 8.290 nan 0.000 0.507 571 V N -0.349 119.536 119.914 -0.049 0.000 3.048 571 V HA 0.826 4.946 4.120 -0.001 0.000 0.303 571 V C -0.145 175.926 176.094 -0.038 0.000 1.214 571 V CA -0.813 61.468 62.300 -0.031 0.000 0.984 571 V CB 2.460 34.302 31.823 0.032 0.000 1.054 571 V HN 0.470 nan 8.190 nan 0.000 0.430 572 L N 2.672 123.824 121.223 -0.118 0.000 2.465 572 L HA 0.716 5.056 4.340 -0.001 0.000 0.257 572 L C -2.021 174.701 176.870 -0.247 0.000 0.988 572 L CA -0.403 54.394 54.840 -0.071 0.000 0.827 572 L CB 2.637 44.697 42.059 0.003 0.000 1.397 572 L HN 0.588 nan 8.230 nan 0.000 0.410 573 F N 1.896 121.936 119.950 0.149 0.000 2.520 573 F HA 0.743 5.270 4.527 -0.001 0.000 0.322 573 F C 0.207 175.843 175.800 -0.274 0.000 1.103 573 F CA -0.537 57.463 58.000 -0.000 0.000 0.926 573 F CB 2.192 41.369 39.000 0.295 0.000 1.154 573 F HN 0.388 nan 8.300 nan 0.000 0.453 574 A N 3.213 125.986 122.820 -0.078 0.000 2.340 574 A HA 0.580 4.899 4.320 -0.001 0.000 0.297 574 A C -0.971 176.500 177.584 -0.188 0.000 1.195 574 A CA -0.627 51.322 52.037 -0.148 0.000 0.769 574 A CB 0.707 19.697 19.000 -0.016 0.000 1.163 574 A HN 0.757 nan 8.150 nan 0.000 0.472 575 Q N 1.627 121.296 119.800 -0.217 0.000 2.340 575 Q HA 0.463 4.803 4.340 -0.001 0.000 0.259 575 Q C -0.845 175.104 176.000 -0.085 0.000 0.964 575 Q CA -0.478 55.264 55.803 -0.102 0.000 0.900 575 Q CB 2.156 30.924 28.738 0.050 0.000 1.228 575 Q HN 0.544 nan 8.270 nan 0.000 0.449 576 V N 3.238 123.070 119.914 -0.136 0.000 2.407 576 V HA 0.137 4.257 4.120 -0.001 0.000 0.278 576 V C -0.146 175.886 176.094 -0.103 0.000 1.037 576 V CA -0.441 61.752 62.300 -0.179 0.000 0.900 576 V CB 1.434 33.108 31.823 -0.247 0.000 0.983 576 V HN 0.654 nan 8.190 nan 0.000 0.459 577 Q N 3.177 122.930 119.800 -0.078 0.000 2.788 577 Q HA 0.298 4.638 4.340 -0.001 0.000 0.261 577 Q C -0.076 175.896 176.000 -0.047 0.000 1.029 577 Q CA 0.012 55.799 55.803 -0.027 0.000 0.848 577 Q CB 0.974 29.740 28.738 0.046 0.000 1.185 577 Q HN 0.820 nan 8.270 nan 0.000 0.482 578 T N 3.056 117.568 114.554 -0.070 0.000 2.900 578 T HA 0.270 4.620 4.350 -0.001 0.000 0.307 578 T C -2.249 172.436 174.700 -0.026 0.000 1.065 578 T CA -1.107 60.954 62.100 -0.066 0.000 1.105 578 T CB 0.440 69.263 68.868 -0.076 0.000 0.979 578 T HN 0.384 nan 8.240 nan 0.000 0.544 579 P HA 0.088 nan 4.420 nan 0.000 0.269 579 P C -2.519 174.792 177.300 0.019 0.000 1.205 579 P CA -0.905 62.199 63.100 0.007 0.000 0.780 579 P CB -0.447 31.260 31.700 0.011 0.000 0.858 580 P HA 0.031 nan 4.420 nan 0.000 0.265 580 P C 1.010 178.341 177.300 0.053 0.000 1.193 580 P CA 1.331 64.456 63.100 0.042 0.000 0.765 580 P CB 0.001 31.733 31.700 0.053 0.000 0.823 581 G N 1.804 110.632 108.800 0.048 0.000 2.189 581 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.267 581 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.267 581 G C 0.520 175.453 174.900 0.055 0.000 0.975 581 G CA 0.307 45.440 45.100 0.055 0.000 0.644 581 G HN 0.587 nan 8.290 nan 0.000 0.537 582 S N 0.325 116.050 115.700 0.042 0.000 2.569 582 S HA 0.475 4.945 4.470 -0.001 0.000 0.274 582 S C 1.014 175.630 174.600 0.028 0.000 1.353 582 S CA 0.306 58.525 58.200 0.032 0.000 1.023 582 S CB 1.167 64.376 63.200 0.014 0.000 0.876 582 S HN 1.577 nan 8.310 nan 0.000 0.540 583 S N 1.034 116.748 115.700 0.024 0.000 2.592 583 S HA 0.475 4.944 4.470 -0.001 0.000 0.271 583 S C 1.239 175.846 174.600 0.011 0.000 1.326 583 S CA -0.404 57.809 58.200 0.022 0.000 1.024 583 S CB 1.016 64.229 63.200 0.021 0.000 0.921 583 S HN 0.806 nan 8.310 nan 0.000 0.527 584 A N 1.592 124.422 122.820 0.016 0.000 1.978 584 A HA -0.090 4.230 4.320 -0.001 0.000 0.220 584 A C 1.992 179.576 177.584 0.001 0.000 1.170 584 A CA 1.611 53.657 52.037 0.014 0.000 0.636 584 A CB -0.882 18.136 19.000 0.029 0.000 0.810 584 A HN 0.964 nan 8.150 nan 0.000 0.448 585 E N -1.169 119.031 120.200 0.000 0.000 2.358 585 E HA -0.092 4.258 4.350 -0.001 0.000 0.195 585 E C 2.136 178.727 176.600 -0.015 0.000 1.010 585 E CA 0.630 57.025 56.400 -0.007 0.000 0.856 585 E CB -0.046 29.651 29.700 -0.005 0.000 0.795 585 E HN 0.648 nan 8.360 nan 0.000 0.504 586 R N 0.530 121.021 120.500 -0.014 0.000 2.100 586 R HA -0.040 4.300 4.340 -0.001 0.000 0.220 586 R C 2.022 178.294 176.300 -0.046 0.000 1.091 586 R CA 1.364 57.451 56.100 -0.021 0.000 0.986 586 R CB 0.047 30.341 30.300 -0.009 0.000 0.888 586 R HN -0.006 nan 8.270 nan 0.000 0.444 587 T N 0.929 115.453 114.554 -0.049 0.000 2.701 587 T HA -0.116 4.234 4.350 -0.001 0.000 0.263 587 T C 1.652 176.294 174.700 -0.096 0.000 1.040 587 T CA 0.820 62.873 62.100 -0.079 0.000 1.147 587 T CB -0.180 68.652 68.868 -0.060 0.000 0.865 587 T HN 0.208 nan 8.240 nan 0.000 0.426 588 Q N 0.560 120.320 119.800 -0.067 0.000 2.268 588 Q HA -0.117 4.222 4.340 -0.001 0.000 0.210 588 Q C 2.391 178.345 176.000 -0.078 0.000 0.988 588 Q CA 1.041 56.802 55.803 -0.070 0.000 0.883 588 Q CB -0.541 28.170 28.738 -0.045 0.000 0.911 588 Q HN 0.400 nan 8.270 nan 0.000 0.430 589 V N -0.499 119.372 119.914 -0.073 0.000 2.346 589 V HA -0.186 3.934 4.120 -0.001 0.000 0.244 589 V C 2.403 178.432 176.094 -0.107 0.000 1.037 589 V CA 1.289 63.552 62.300 -0.063 0.000 1.029 589 V CB -0.471 31.331 31.823 -0.036 0.000 0.663 589 V HN 0.101 nan 8.190 nan 0.000 0.454 590 V N 0.123 119.928 119.914 -0.181 0.000 2.490 590 V HA -0.184 3.936 4.120 -0.001 0.000 0.250 590 V C 2.318 178.186 176.094 -0.375 0.000 1.061 590 V CA 1.713 63.791 62.300 -0.369 0.000 1.064 590 V CB -0.679 30.870 31.823 -0.457 0.000 0.670 590 V HN 0.449 nan 8.190 nan 0.000 0.461 591 V N -0.122 119.641 119.914 -0.251 0.000 2.871 591 V HA -0.118 4.001 4.120 -0.001 0.000 0.256 591 V C 2.064 178.071 176.094 -0.145 0.000 1.082 591 V CA 1.514 63.687 62.300 -0.213 0.000 1.105 591 V CB -0.615 31.107 31.823 -0.168 0.000 0.713 591 V HN 0.499 nan 8.190 nan 0.000 0.473 592 D N 0.781 121.115 120.400 -0.110 0.000 2.194 592 D HA -0.076 4.563 4.640 -0.001 0.000 0.204 592 D C 2.451 178.744 176.300 -0.012 0.000 0.964 592 D CA 1.583 55.548 54.000 -0.059 0.000 0.846 592 D CB -0.058 40.715 40.800 -0.044 0.000 0.962 592 D HN 0.591 nan 8.370 nan 0.000 0.490 593 S N 0.136 115.835 115.700 -0.002 0.000 2.423 593 S HA -0.122 4.348 4.470 -0.001 0.000 0.231 593 S C 1.991 176.693 174.600 0.171 0.000 1.014 593 S CA 0.574 58.845 58.200 0.118 0.000 0.965 593 S CB -0.190 63.146 63.200 0.228 0.000 0.785 593 S HN 0.066 nan 8.310 nan 0.000 0.495 594 M N 2.045 121.672 119.600 0.045 0.000 2.180 594 M HA -0.079 4.400 4.480 -0.001 0.000 0.260 594 M C 2.497 178.895 176.300 0.164 0.000 1.071 594 M CA 1.674 57.045 55.300 0.118 0.000 1.096 594 M CB -1.355 31.227 32.600 -0.029 0.000 1.276 594 M HN 0.365 nan 8.290 nan 0.000 0.426 595 R N 0.169 120.706 120.500 0.061 0.000 2.134 595 R HA -0.221 4.119 4.340 -0.001 0.000 0.248 595 R C 2.136 178.467 176.300 0.053 0.000 1.143 595 R CA 2.044 58.163 56.100 0.031 0.000 0.957 595 R CB -0.496 29.791 30.300 -0.022 0.000 0.867 595 R HN 0.569 nan 8.270 nan 0.000 0.441 596 E N -0.425 119.825 120.200 0.084 0.000 2.013 596 E HA -0.272 4.078 4.350 -0.001 0.000 0.202 596 E C 1.859 178.530 176.600 0.118 0.000 1.018 596 E CA 1.688 58.145 56.400 0.094 0.000 0.834 596 E CB -0.430 29.347 29.700 0.127 0.000 0.770 596 E HN 0.338 nan 8.360 nan 0.000 0.459 597 Y N 1.332 121.681 120.300 0.082 0.000 2.228 597 Y HA -0.249 4.301 4.550 -0.001 0.000 0.285 597 Y C 1.746 177.637 175.900 -0.015 0.000 1.178 597 Y CA 1.431 59.547 58.100 0.027 0.000 1.202 597 Y CB -0.038 38.488 38.460 0.109 0.000 0.974 597 Y HN -0.018 nan 8.280 nan 0.000 0.527 598 L N -1.654 119.571 121.223 0.004 0.000 2.194 598 L HA -0.061 4.278 4.340 -0.001 0.000 0.197 598 L C 2.282 179.093 176.870 -0.097 0.000 1.106 598 L CA 0.474 55.264 54.840 -0.083 0.000 0.785 598 L CB -0.859 41.227 42.059 0.044 0.000 0.960 598 L HN 0.026 nan 8.230 nan 0.000 0.465 599 L N -0.060 121.134 121.223 -0.049 0.000 2.263 599 L HA -0.222 4.118 4.340 -0.001 0.000 0.216 599 L C 2.204 179.032 176.870 -0.070 0.000 1.111 599 L CA 1.394 56.197 54.840 -0.062 0.000 0.773 599 L CB -0.158 41.865 42.059 -0.061 0.000 0.906 599 L HN 0.369 nan 8.230 nan 0.000 0.439 600 E N -1.612 118.544 120.200 -0.073 0.000 2.290 600 E HA -0.029 4.321 4.350 -0.001 0.000 0.199 600 E C 1.860 178.399 176.600 -0.101 0.000 0.912 600 E CA 0.109 56.468 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 0.330 nan 8.360 nan 0.000 0.487 601 K N 1.014 121.310 120.400 -0.173 0.000 2.102 601 K HA 0.056 4.375 4.320 -0.001 0.000 0.208 601 K C 0.542 177.006 176.600 -0.228 0.000 1.027 601 K CA 0.491 56.642 56.287 -0.227 0.000 0.958 601 K CB 0.184 32.460 32.500 -0.372 0.000 0.819 601 K HN -0.149 nan 8.250 nan 0.000 0.453 602 E N 1.738 121.757 120.200 -0.303 0.000 2.467 602 E HA -0.023 4.326 4.350 -0.001 0.000 0.321 602 E C 0.598 177.115 176.600 -0.139 0.000 1.388 602 E CA -0.113 56.157 56.400 -0.216 0.000 1.508 602 E CB 0.060 29.615 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 -0.151 4.319 4.470 -0.001 0.000 0.224 603 S C 1.956 176.516 174.600 -0.066 0.000 0.996 603 S CA 0.585 58.736 58.200 -0.082 0.000 0.927 603 S CB -0.032 63.127 63.200 -0.070 0.000 0.774 603 S HN 0.355 nan 8.310 nan 0.000 0.524 604 S N 2.468 118.130 115.700 -0.063 0.000 2.399 604 S HA -0.116 4.353 4.470 -0.001 0.000 0.231 604 S C 1.956 176.527 174.600 -0.048 0.000 1.022 604 S CA 1.215 59.387 58.200 -0.047 0.000 0.983 604 S CB -0.768 62.410 63.200 -0.038 0.000 0.803 604 S HN 0.774 nan 8.310 nan 0.000 0.480 605 S N 1.099 116.764 115.700 -0.058 0.000 2.541 605 S HA 0.303 4.772 4.470 -0.001 0.000 0.219 605 S C 0.730 175.287 174.600 -0.071 0.000 1.025 605 S CA 0.053 58.217 58.200 -0.059 0.000 0.917 605 S CB -0.988 62.182 63.200 -0.050 0.000 0.859 605 S HN 0.283 nan 8.310 nan 0.000 0.584 606 V N 2.612 122.485 119.914 -0.068 0.000 2.901 606 V HA 0.275 4.395 4.120 -0.001 0.000 0.307 606 V C 1.489 177.550 176.094 -0.055 0.000 1.084 606 V CA 0.768 63.032 62.300 -0.059 0.000 1.184 606 V CB 1.272 33.063 31.823 -0.053 0.000 0.941 606 V HN 0.679 nan 8.190 nan 0.000 0.493 607 S N 1.237 116.913 115.700 -0.041 0.000 2.741 607 S HA 0.214 4.684 4.470 -0.001 0.000 0.245 607 S C 0.463 175.055 174.600 -0.012 0.000 1.083 607 S CA 0.497 58.678 58.200 -0.031 0.000 0.873 607 S CB 0.366 63.546 63.200 -0.034 0.000 0.814 607 S HN 1.212 nan 8.310 nan 0.000 0.476 608 S N 0.258 115.969 115.700 0.018 0.000 2.537 608 S HA 0.696 5.166 4.470 -0.001 0.000 0.271 608 S C -1.529 173.117 174.600 0.076 0.000 1.148 608 S CA -0.654 57.560 58.200 0.023 0.000 0.868 608 S CB 1.681 64.968 63.200 0.144 0.000 1.115 608 S HN 0.232 nan 8.310 nan 0.000 0.461 609 V N 3.009 122.938 119.914 0.025 0.000 2.407 609 V HA 0.548 4.668 4.120 -0.001 0.000 0.291 609 V C -1.086 175.104 176.094 0.160 0.000 1.018 609 V CA -0.537 61.822 62.300 0.097 0.000 0.842 609 V CB 0.990 32.830 31.823 0.029 0.000 0.996 609 V HN 0.892 nan 8.190 nan 0.000 0.426 610 F N 4.586 124.639 119.950 0.172 0.000 2.332 610 F HA 0.608 5.135 4.527 -0.001 0.000 0.368 610 F C 0.480 176.356 175.800 0.126 0.000 1.110 610 F CA -0.058 58.064 58.000 0.203 0.000 1.087 610 F CB 1.312 40.470 39.000 0.263 0.000 1.235 610 F HN 0.541 nan 8.300 nan 0.000 0.470 611 T N 5.248 119.612 114.554 -0.318 0.000 2.867 611 T HA 0.721 5.071 4.350 -0.001 0.000 0.282 611 T C -1.227 173.218 174.700 -0.425 0.000 1.000 611 T CA -0.450 61.500 62.100 -0.249 0.000 1.042 611 T CB 1.132 69.885 68.868 -0.191 0.000 0.973 611 T HN 0.388 nan 8.240 nan 0.000 0.465 612 V N 3.488 123.258 119.914 -0.240 0.000 2.709 612 V HA 0.665 4.784 4.120 -0.001 0.000 0.308 612 V C 0.131 176.181 176.094 -0.074 0.000 1.062 612 V CA -0.823 61.345 62.300 -0.221 0.000 0.901 612 V CB 2.197 33.867 31.823 -0.255 0.000 1.003 612 V HN 1.076 nan 8.190 nan 0.000 0.425 613 T N 2.222 116.757 114.554 -0.032 0.000 2.863 613 T HA 0.624 4.974 4.350 -0.001 0.000 0.285 613 T C 0.818 175.567 174.700 0.082 0.000 1.009 613 T CA 0.925 63.027 62.100 0.004 0.000 0.989 613 T CB 1.213 70.064 68.868 -0.029 0.000 1.004 613 T HN 1.636 nan 8.240 nan 0.000 0.455 614 G N 3.254 112.104 108.800 0.084 0.000 2.268 614 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.240 614 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.240 614 G C -0.047 174.974 174.900 0.202 0.000 1.010 614 G CA 0.286 45.459 45.100 0.123 0.000 0.618 614 G HN 0.819 nan 8.290 nan 0.000 0.516 615 F N 1.650 121.657 119.950 0.095 0.000 2.470 615 F HA 0.812 5.339 4.527 -0.001 0.000 0.329 615 F C -0.230 175.621 175.800 0.086 0.000 1.072 615 F CA -1.080 57.010 58.000 0.149 0.000 0.989 615 F CB 1.987 41.176 39.000 0.316 0.000 1.193 615 F HN 0.176 nan 8.300 nan 0.000 0.481 616 N N 2.600 120.687 118.700 -1.021 0.000 2.710 616 N HA 0.265 5.004 4.740 -0.001 0.000 0.257 616 N C -0.232 174.843 175.510 -0.724 0.000 1.327 616 N CA -0.638 52.008 53.050 -0.672 0.000 0.861 616 N CB 0.906 39.236 38.487 -0.263 0.000 1.532 616 N HN 0.584 nan 8.380 nan 0.000 0.499 617 F N 0.184 119.961 119.950 -0.289 0.000 2.293 617 F HA 0.162 4.689 4.527 -0.001 0.000 0.300 617 F C 1.237 176.963 175.800 -0.123 0.000 1.086 617 F CA 0.549 58.460 58.000 -0.148 0.000 1.375 617 F CB 0.352 39.324 39.000 -0.048 0.000 1.045 617 F HN 0.408 nan 8.300 nan 0.000 0.516 618 A N 0.928 123.788 122.820 0.067 0.000 2.540 618 A HA 0.565 4.885 4.320 -0.001 0.000 0.340 618 A C 0.476 178.047 177.584 -0.021 0.000 1.424 618 A CA 0.154 52.211 52.037 0.032 0.000 0.940 618 A CB -0.637 18.396 19.000 0.056 0.000 1.149 618 A HN 0.465 nan 8.150 nan 0.000 0.505 619 G N 1.130 109.913 108.800 -0.028 0.000 2.888 619 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.441 619 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.441 619 G C -0.008 174.857 174.900 -0.058 0.000 1.461 619 G CA 0.001 45.086 45.100 -0.024 0.000 0.897 619 G HN 1.215 nan 8.290 nan 0.000 0.547 620 R N 0.754 121.254 120.500 -0.000 0.000 2.564 620 R HA 0.533 4.873 4.340 -0.001 0.000 0.282 620 R C 0.679 177.009 176.300 0.050 0.000 1.573 620 R CA 0.220 56.343 56.100 0.037 0.000 1.588 620 R CB -0.103 30.270 30.300 0.122 0.000 1.154 620 R HN 1.143 nan 8.270 nan 0.000 0.606 621 G N 0.445 109.262 108.800 0.029 0.000 2.491 621 G HA2 0.121 4.081 3.960 -0.001 0.000 0.327 621 G HA3 0.121 4.081 3.960 -0.001 0.000 0.327 621 G C 0.214 175.140 174.900 0.042 0.000 1.189 621 G CA -0.471 44.650 45.100 0.034 0.000 0.956 621 G HN 0.553 nan 8.290 nan 0.000 0.491 622 Q N -0.406 119.419 119.800 0.042 0.000 2.369 622 Q HA -0.061 4.279 4.340 -0.001 0.000 0.206 622 Q C 2.015 178.028 176.000 0.022 0.000 0.963 622 Q CA 1.214 57.042 55.803 0.041 0.000 0.894 622 Q CB 0.165 28.930 28.738 0.044 0.000 0.965 622 Q HN 0.560 nan 8.270 nan 0.000 0.475 623 S N -0.410 115.299 115.700 0.014 0.000 2.622 623 S HA 0.146 4.615 4.470 -0.001 0.000 0.236 623 S C 0.350 174.938 174.600 -0.020 0.000 0.956 623 S CA -0.517 57.681 58.200 -0.003 0.000 0.971 623 S CB 0.207 63.410 63.200 0.005 0.000 0.782 623 S HN 0.161 nan 8.310 nan 0.000 0.468 624 S N -0.164 115.526 115.700 -0.017 0.000 2.513 624 S HA 0.879 5.348 4.470 -0.001 0.000 0.299 624 S C 0.025 174.596 174.600 -0.048 0.000 1.087 624 S CA -0.577 57.601 58.200 -0.037 0.000 1.012 624 S CB 1.512 64.690 63.200 -0.036 0.000 1.044 624 S HN 0.470 nan 8.310 nan 0.000 0.485 625 G N 1.429 110.180 108.800 -0.082 0.000 2.788 625 G HA2 0.789 4.748 3.960 -0.001 0.000 0.293 625 G HA3 0.789 4.748 3.960 -0.001 0.000 0.293 625 G C -1.260 173.569 174.900 -0.118 0.000 1.305 625 G CA -0.918 44.123 45.100 -0.099 0.000 1.005 625 G HN 0.621 nan 8.290 nan 0.000 0.496 626 M N -0.670 118.853 119.600 -0.127 0.000 2.603 626 M HA 0.623 5.103 4.480 -0.001 0.000 0.275 626 M C -1.486 174.722 176.300 -0.154 0.000 1.226 626 M CA -0.713 54.485 55.300 -0.171 0.000 0.870 626 M CB 2.041 34.564 32.600 -0.128 0.000 1.716 626 M HN 1.036 nan 8.290 nan 0.000 0.482 627 A N 2.246 124.944 122.820 -0.203 0.000 2.497 627 A HA 0.726 5.046 4.320 -0.001 0.000 0.280 627 A C -1.847 175.660 177.584 -0.128 0.000 1.065 627 A CA -0.468 51.517 52.037 -0.085 0.000 0.781 627 A CB 0.499 19.471 19.000 -0.047 0.000 1.289 627 A HN 0.578 nan 8.150 nan 0.000 0.415 628 F N 3.223 123.248 119.950 0.124 0.000 2.406 628 F HA 0.358 4.885 4.527 -0.001 0.000 0.358 628 F C 0.392 176.274 175.800 0.136 0.000 1.161 628 F CA -0.218 57.835 58.000 0.089 0.000 1.185 628 F CB 0.688 39.742 39.000 0.090 0.000 1.421 628 F HN 0.441 nan 8.300 nan 0.000 0.576 629 I N 4.044 124.701 120.570 0.146 0.000 2.241 629 I HA 0.153 4.323 4.170 -0.001 0.000 0.294 629 I C 0.181 176.350 176.117 0.086 0.000 1.145 629 I CA -0.281 61.086 61.300 0.111 0.000 1.261 629 I CB -0.123 37.905 38.000 0.046 0.000 1.475 629 I HN 0.361 nan 8.210 nan 0.000 0.533 630 M N 5.565 125.243 119.600 0.130 0.000 2.252 630 M HA 0.285 4.765 4.480 -0.001 0.000 0.333 630 M C -0.106 176.176 176.300 -0.031 0.000 1.111 630 M CA 0.501 55.820 55.300 0.032 0.000 1.140 630 M CB 0.690 33.317 32.600 0.045 0.000 1.538 630 M HN 0.473 nan 8.290 nan 0.000 0.448 631 L N 1.631 122.788 121.223 -0.110 0.000 2.303 631 L HA 0.494 4.834 4.340 -0.001 0.000 0.266 631 L C 0.327 177.077 176.870 -0.199 0.000 1.011 631 L CA -1.145 53.610 54.840 -0.142 0.000 0.818 631 L CB 1.455 43.415 42.059 -0.165 0.000 1.326 631 L HN 0.598 nan 8.230 nan 0.000 0.435 632 K N 0.987 121.283 120.400 -0.173 0.000 2.319 632 K HA 0.230 4.550 4.320 -0.001 0.000 0.265 632 K C -2.283 174.130 176.600 -0.312 0.000 1.000 632 K CA -1.489 54.687 56.287 -0.186 0.000 0.943 632 K CB 0.072 32.501 32.500 -0.117 0.000 0.950 632 K HN 0.238 nan 8.250 nan 0.000 0.485 633 P HA -0.145 nan 4.420 nan 0.000 0.270 633 P C -0.138 176.928 177.300 -0.390 0.000 1.216 633 P CA 0.252 63.048 63.100 -0.506 0.000 0.788 633 P CB 0.222 31.782 31.700 -0.233 0.000 0.883 634 W N 0.219 121.520 121.300 0.002 0.000 2.392 634 W HA -0.056 4.604 4.660 -0.001 0.000 0.279 634 W C 1.772 178.298 176.519 0.012 0.000 1.225 634 W CA 0.801 58.153 57.345 0.011 0.000 1.233 634 W CB -1.257 28.215 29.460 0.020 0.000 1.122 634 W HN 0.441 nan 8.180 nan 0.000 0.561 635 E N 0.921 121.238 120.200 0.195 0.000 2.051 635 E HA -0.125 4.225 4.350 -0.001 0.000 0.189 635 E C 1.590 178.224 176.600 0.057 0.000 0.979 635 E CA 1.073 57.545 56.400 0.121 0.000 0.803 635 E CB -0.397 29.363 29.700 0.100 0.000 0.761 635 E HN 0.412 nan 8.360 nan 0.000 0.451 636 E N 0.776 120.983 120.200 0.013 0.000 2.515 636 E HA -0.049 4.301 4.350 -0.001 0.000 0.201 636 E C 0.183 176.778 176.600 -0.008 0.000 1.071 636 E CA 0.322 56.716 56.400 -0.010 0.000 0.880 636 E CB 0.054 29.730 29.700 -0.041 0.000 0.828 636 E HN 0.046 nan 8.360 nan 0.000 0.540 637 R N 0.715 121.223 120.500 0.013 0.000 2.494 637 R HA 0.153 4.493 4.340 -0.001 0.000 0.305 637 R C -1.701 174.631 176.300 0.052 0.000 0.959 637 R CA -1.847 54.267 56.100 0.023 0.000 0.864 637 R CB 1.242 31.556 30.300 0.023 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 0.255 177.595 177.300 0.066 0.000 1.185 638 P CA 1.155 64.284 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 -3.826 105.016 108.800 0.069 0.000 2.348 639 G HA2 0.370 4.330 3.960 -0.001 0.000 0.606 639 G HA3 0.370 4.330 3.960 -0.001 0.000 0.606 639 G C 0.363 175.310 174.900 0.078 0.000 1.466 639 G CA -0.005 45.147 45.100 0.087 0.000 0.950 639 G HN 0.482 nan 8.290 nan 0.000 0.657 640 G N 0.279 109.135 108.800 0.093 0.000 3.078 640 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.227 640 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.227 640 G C 1.200 176.148 174.900 0.081 0.000 1.306 640 G CA 1.673 46.825 45.100 0.087 0.000 0.841 640 G HN 1.286 nan 8.290 nan 0.000 0.530 641 E N 0.483 120.721 120.200 0.063 0.000 2.122 641 E HA 0.073 4.423 4.350 -0.001 0.000 0.190 641 E C 1.160 177.789 176.600 0.048 0.000 0.977 641 E CA 0.929 57.358 56.400 0.049 0.000 0.820 641 E CB -0.032 29.687 29.700 0.032 0.000 0.770 641 E HN 0.484 nan 8.360 nan 0.000 0.462 642 N N 0.903 119.634 118.700 0.052 0.000 2.376 642 N HA 0.022 4.761 4.740 -0.001 0.000 0.249 642 N C -0.788 174.759 175.510 0.061 0.000 1.140 642 N CA -0.041 53.033 53.050 0.039 0.000 0.870 642 N CB 0.763 39.264 38.487 0.025 0.000 1.124 642 N HN 0.024 nan 8.380 nan 0.000 0.505 643 S N -1.421 114.336 115.700 0.094 0.000 2.584 643 S HA 0.202 4.671 4.470 -0.001 0.000 0.273 643 S C 1.484 176.118 174.600 0.055 0.000 1.311 643 S CA -0.793 57.482 58.200 0.125 0.000 1.034 643 S CB 1.366 64.698 63.200 0.220 0.000 0.939 643 S HN -0.057 nan 8.310 nan 0.000 0.513 644 V N 1.728 121.608 119.914 -0.057 0.000 2.568 644 V HA -0.140 3.979 4.120 -0.001 0.000 0.253 644 V C 1.582 177.567 176.094 -0.183 0.000 1.072 644 V CA 1.688 63.879 62.300 -0.180 0.000 1.084 644 V CB -1.394 30.232 31.823 -0.329 0.000 0.676 644 V HN 0.903 nan 8.190 nan 0.000 0.469 645 F N -0.132 119.890 119.950 0.120 0.000 2.802 645 F HA 0.073 4.600 4.527 -0.001 0.000 0.300 645 F C 2.257 178.116 175.800 0.099 0.000 1.168 645 F CA 0.673 58.744 58.000 0.117 0.000 1.433 645 F CB -0.075 38.992 39.000 0.110 0.000 1.115 645 F HN 0.189 nan 8.300 nan 0.000 0.582 646 E N -0.209 120.111 120.200 0.199 0.000 2.372 646 E HA 0.056 4.406 4.350 -0.001 0.000 0.201 646 E C 2.215 178.868 176.600 0.089 0.000 0.938 646 E CA 0.061 56.544 56.400 0.138 0.000 0.944 646 E CB 0.082 29.850 29.700 0.114 0.000 0.937 646 E HN 0.392 nan 8.360 nan 0.000 0.495 647 L N 1.105 122.365 121.223 0.061 0.000 2.079 647 L HA -0.220 4.119 4.340 -0.001 0.000 0.210 647 L C 2.579 179.489 176.870 0.067 0.000 1.081 647 L CA 1.250 56.113 54.840 0.038 0.000 0.752 647 L CB -0.424 41.644 42.059 0.016 0.000 0.896 647 L HN 0.135 nan 8.230 nan 0.000 0.433 648 A N 0.197 123.078 122.820 0.102 0.000 1.877 648 A HA -0.249 4.070 4.320 -0.001 0.000 0.216 648 A C 2.267 179.926 177.584 0.125 0.000 1.186 648 A CA 1.873 53.995 52.037 0.141 0.000 0.620 648 A CB -0.393 18.734 19.000 0.211 0.000 0.822 648 A HN 0.336 nan 8.150 nan 0.000 0.443 649 K N -0.476 120.002 120.400 0.130 0.000 2.044 649 K HA -0.210 4.110 4.320 -0.001 0.000 0.210 649 K C 2.319 178.965 176.600 0.077 0.000 1.049 649 K CA 1.880 58.234 56.287 0.110 0.000 0.927 649 K CB -0.236 32.328 32.500 0.107 0.000 0.713 649 K HN 0.472 nan 8.250 nan 0.000 0.443 650 R N 0.487 121.029 120.500 0.069 0.000 2.060 650 R HA -0.018 4.321 4.340 -0.001 0.000 0.225 650 R C 2.559 178.867 176.300 0.014 0.000 1.155 650 R CA 1.101 57.249 56.100 0.081 0.000 0.930 650 R CB -0.681 29.677 30.300 0.096 0.000 0.829 650 R HN 0.167 nan 8.270 nan 0.000 0.433 651 A N 1.585 124.383 122.820 -0.037 0.000 1.896 651 A HA -0.278 4.042 4.320 -0.001 0.000 0.220 651 A C 2.201 179.290 177.584 -0.825 0.000 1.206 651 A CA 1.664 53.392 52.037 -0.513 0.000 0.647 651 A CB -0.587 18.223 19.000 -0.316 0.000 0.828 651 A HN 0.295 nan 8.150 nan 0.000 0.455 652 Q N -1.595 118.064 119.800 -0.236 0.000 1.993 652 Q HA -0.215 4.125 4.340 -0.001 0.000 0.202 652 Q C 2.156 178.166 176.000 0.017 0.000 0.984 652 Q CA 1.979 57.778 55.803 -0.006 0.000 0.837 652 Q CB -0.576 28.260 28.738 0.164 0.000 0.902 652 Q HN 0.714 nan 8.270 nan 0.000 0.423 653 M N 0.132 119.747 119.600 0.025 0.000 2.159 653 M HA -0.172 4.308 4.480 -0.001 0.000 0.263 653 M C 1.980 178.299 176.300 0.031 0.000 1.063 653 M CA 1.630 56.958 55.300 0.047 0.000 1.110 653 M CB -0.488 32.133 32.600 0.035 0.000 1.374 653 M HN 0.281 nan 8.290 nan 0.000 0.411 654 H N -0.858 118.108 119.070 -0.173 0.000 2.462 654 H HA -0.081 4.474 4.556 -0.001 0.000 0.292 654 H C 0.627 175.868 175.328 -0.145 0.000 1.049 654 H CA 1.108 57.003 56.048 -0.256 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 0.352 120.274 119.950 -0.047 0.000 2.795 655 F HA -0.013 4.513 4.527 -0.001 0.000 0.303 655 F C 1.740 177.521 175.800 -0.032 0.000 1.186 655 F CA -0.335 57.673 58.000 0.014 0.000 1.415 655 F CB -1.398 37.638 39.000 0.061 0.000 1.106 655 F HN 0.128 nan 8.300 nan 0.000 0.558 656 F N 0.738 120.655 119.950 -0.055 0.000 2.365 656 F HA -0.104 4.423 4.527 -0.001 0.000 0.300 656 F C 1.825 177.524 175.800 -0.169 0.000 1.090 656 F CA 0.114 58.060 58.000 -0.089 0.000 1.408 656 F CB -0.383 38.556 39.000 -0.102 0.000 1.060 656 F HN -0.030 nan 8.300 nan 0.000 0.534 657 S N -0.084 115.399 115.700 -0.362 0.000 2.618 657 S HA 0.146 4.616 4.470 -0.001 0.000 0.254 657 S C -0.168 174.073 174.600 -0.599 0.000 1.284 657 S CA -0.216 57.587 58.200 -0.662 0.000 0.975 657 S CB -0.413 62.160 63.200 -1.046 0.000 1.022 657 S HN 0.319 nan 8.310 nan 0.000 0.571 658 F N -0.668 119.175 119.950 -0.179 0.000 2.267 658 F HA -0.149 4.378 4.527 -0.001 0.000 0.352 658 F C 1.374 177.055 175.800 -0.199 0.000 1.111 658 F CA 0.350 58.250 58.000 -0.167 0.000 1.207 658 F CB -2.095 36.800 39.000 -0.175 0.000 1.743 658 F HN 0.872 nan 8.300 nan 0.000 0.776 659 K N 0.830 121.190 120.400 -0.067 0.000 2.031 659 K HA -0.340 3.980 4.320 -0.001 0.000 0.228 659 K C 0.573 177.113 176.600 -0.099 0.000 1.050 659 K CA 2.542 58.761 56.287 -0.113 0.000 0.980 659 K CB -0.051 32.410 32.500 -0.065 0.000 0.738 659 K HN 0.601 nan 8.250 nan 0.000 0.451 660 D N -0.651 119.723 120.400 -0.043 0.000 2.414 660 D HA 0.502 5.142 4.640 -0.001 0.000 0.232 660 D C -1.900 174.376 176.300 -0.039 0.000 1.070 660 D CA -0.149 53.827 54.000 -0.041 0.000 0.839 660 D CB 1.531 42.317 40.800 -0.024 0.000 1.079 660 D HN 0.439 nan 8.370 nan 0.000 0.521 661 A N 4.479 127.262 122.820 -0.061 0.000 2.458 661 A HA 0.205 4.524 4.320 -0.001 0.000 0.304 661 A C -0.377 177.121 177.584 -0.143 0.000 1.026 661 A CA -0.646 51.325 52.037 -0.109 0.000 1.021 661 A CB 0.531 19.435 19.000 -0.161 0.000 1.479 661 A HN 0.382 nan 8.150 nan 0.000 0.385 662 M N 3.021 122.562 119.600 -0.098 0.000 3.722 662 M HA 0.083 4.563 4.480 -0.001 0.000 0.183 662 M C 0.588 176.773 176.300 -0.191 0.000 1.485 662 M CA 0.242 55.495 55.300 -0.078 0.000 1.685 662 M CB -1.398 31.295 32.600 0.155 0.000 1.198 662 M HN 0.695 nan 8.290 nan 0.000 0.494 663 V N -0.561 119.127 119.914 -0.375 0.000 2.439 663 V HA 0.411 4.530 4.120 -0.001 0.000 0.271 663 V C -0.302 175.546 176.094 -0.411 0.000 1.040 663 V CA -0.354 61.706 62.300 -0.400 0.000 1.002 663 V CB -0.643 30.790 31.823 -0.650 0.000 1.000 663 V HN 0.299 nan 8.190 nan 0.000 0.477 664 F N 2.366 122.331 119.950 0.025 0.000 2.611 664 F HA 0.870 5.397 4.527 -0.001 0.000 0.324 664 F C 0.328 176.130 175.800 0.003 0.000 1.061 664 F CA -0.659 57.408 58.000 0.112 0.000 0.954 664 F CB 2.331 41.400 39.000 0.114 0.000 1.301 664 F HN 0.745 nan 8.300 nan 0.000 0.482 665 A N 2.520 125.505 122.820 0.275 0.000 2.357 665 A HA 0.782 5.101 4.320 -0.001 0.000 0.295 665 A C -1.441 176.230 177.584 0.145 0.000 1.121 665 A CA -0.476 51.614 52.037 0.088 0.000 0.742 665 A CB 0.216 19.348 19.000 0.219 0.000 1.181 665 A HN 0.694 nan 8.150 nan 0.000 0.454 666 F N 0.523 120.657 119.950 0.305 0.000 2.603 666 F HA 0.914 5.440 4.527 -0.001 0.000 0.317 666 F C 0.138 176.117 175.800 0.298 0.000 1.066 666 F CA -1.267 56.892 58.000 0.265 0.000 0.941 666 F CB 1.849 40.973 39.000 0.207 0.000 1.291 666 F HN 0.632 nan 8.300 nan 0.000 0.472 667 A N 1.749 124.889 122.820 0.534 0.000 2.325 667 A HA 0.874 5.194 4.320 -0.001 0.000 0.333 667 A C -2.903 174.919 177.584 0.397 0.000 1.155 667 A CA -2.142 50.130 52.037 0.392 0.000 0.814 667 A CB 0.865 19.920 19.000 0.091 0.000 1.206 667 A HN 0.540 nan 8.150 nan 0.000 0.482 668 P HA 0.376 nan 4.420 nan 0.000 0.274 668 P C -2.609 174.844 177.300 0.254 0.000 1.231 668 P CA -1.150 62.154 63.100 0.340 0.000 0.790 668 P CB -0.022 31.953 31.700 0.458 0.000 0.951 669 P HA 0.033 nan 4.420 nan 0.000 0.274 669 P C 1.156 178.552 177.300 0.160 0.000 1.231 669 P CA 0.017 63.220 63.100 0.171 0.000 0.790 669 P CB 0.360 32.130 31.700 0.116 0.000 0.951 670 S N 1.702 117.496 115.700 0.156 0.000 2.426 670 S HA -0.163 4.307 4.470 -0.001 0.000 0.259 670 S C 0.751 175.333 174.600 -0.029 0.000 1.096 670 S CA 1.664 59.932 58.200 0.114 0.000 1.219 670 S CB -0.682 62.576 63.200 0.097 0.000 1.124 670 S HN 0.292 nan 8.310 nan 0.000 0.436 671 V N 3.635 123.445 119.914 -0.173 0.000 2.372 671 V HA 0.199 4.318 4.120 -0.001 0.000 0.261 671 V C 1.231 177.312 176.094 -0.022 0.000 1.055 671 V CA -0.069 62.072 62.300 -0.265 0.000 0.930 671 V CB 0.828 32.465 31.823 -0.309 0.000 1.031 671 V HN 0.483 nan 8.190 nan 0.000 0.479 672 L N 3.961 125.221 121.223 0.062 0.000 2.012 672 L HA -0.186 4.153 4.340 -0.001 0.000 0.210 672 L C 2.462 179.378 176.870 0.076 0.000 1.073 672 L CA 1.983 56.897 54.840 0.123 0.000 0.748 672 L CB -0.298 41.879 42.059 0.196 0.000 0.891 672 L HN 0.823 nan 8.230 nan 0.000 0.431 673 E N -0.114 120.122 120.200 0.060 0.000 2.515 673 E HA -0.163 4.186 4.350 -0.001 0.000 0.201 673 E C 1.851 178.454 176.600 0.005 0.000 1.071 673 E CA 0.384 56.803 56.400 0.031 0.000 0.880 673 E CB -0.073 29.649 29.700 0.038 0.000 0.828 673 E HN 0.430 nan 8.360 nan 0.000 0.540 674 L N 0.665 121.893 121.223 0.008 0.000 2.554 674 L HA 0.223 4.563 4.340 -0.001 0.000 0.226 674 L C 0.908 177.761 176.870 -0.029 0.000 1.137 674 L CA 1.193 56.036 54.840 0.004 0.000 0.863 674 L CB -0.515 41.566 42.059 0.037 0.000 0.985 674 L HN 0.409 nan 8.230 nan 0.000 0.451 675 G N -0.751 108.015 108.800 -0.056 0.000 2.368 675 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.302 675 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.302 675 G C -0.139 174.658 174.900 -0.171 0.000 1.329 675 G CA -0.523 44.498 45.100 -0.132 0.000 0.935 675 G HN -0.064 nan 8.290 nan 0.000 0.590 676 N N -0.140 118.358 118.700 -0.336 0.000 2.250 676 N HA 0.412 5.152 4.740 -0.001 0.000 0.190 676 N C 0.501 175.795 175.510 -0.360 0.000 1.116 676 N CA 0.944 53.726 53.050 -0.447 0.000 0.881 676 N CB 1.363 39.229 38.487 -1.034 0.000 1.006 676 N HN 1.072 nan 8.380 nan 0.000 0.491 677 A N 0.353 122.925 122.820 -0.413 0.000 2.375 677 A HA 0.431 4.750 4.320 -0.001 0.000 0.295 677 A C 0.105 177.557 177.584 -0.219 0.000 1.066 677 A CA -0.492 51.260 52.037 -0.475 0.000 0.722 677 A CB 1.143 19.454 19.000 -1.148 0.000 1.206 677 A HN -0.020 nan 8.150 nan 0.000 0.435 678 T N 1.369 115.903 114.554 -0.033 0.000 2.795 678 T HA 0.530 4.880 4.350 -0.001 0.000 0.314 678 T C 1.026 175.714 174.700 -0.021 0.000 1.069 678 T CA 1.889 64.014 62.100 0.042 0.000 1.071 678 T CB 0.270 69.246 68.868 0.179 0.000 0.988 678 T HN 2.620 nan 8.240 nan 0.000 0.543 679 G N 1.731 110.545 108.800 0.023 0.000 2.358 679 G HA2 0.152 4.112 3.960 -0.001 0.000 0.198 679 G HA3 0.152 4.112 3.960 -0.001 0.000 0.198 679 G C -0.769 174.168 174.900 0.062 0.000 1.220 679 G CA -0.184 44.927 45.100 0.018 0.000 1.187 679 G HN 1.371 nan 8.290 nan 0.000 0.544 680 F N -0.257 119.705 119.950 0.020 0.000 2.631 680 F HA 0.892 5.418 4.527 -0.001 0.000 0.328 680 F C -0.932 174.890 175.800 0.037 0.000 1.067 680 F CA -1.319 56.720 58.000 0.066 0.000 0.969 680 F CB 1.873 41.006 39.000 0.222 0.000 1.332 680 F HN 0.424 nan 8.300 nan 0.000 0.490 681 D N 1.293 121.873 120.400 0.300 0.000 2.649 681 D HA 0.659 5.299 4.640 -0.001 0.000 0.249 681 D C -1.295 174.952 176.300 -0.089 0.000 1.112 681 D CA -0.047 53.933 54.000 -0.033 0.000 0.850 681 D CB 2.278 42.937 40.800 -0.234 0.000 1.399 681 D HN 0.611 nan 8.370 nan 0.000 0.503 682 L N 2.401 123.428 121.223 -0.327 0.000 2.354 682 L HA 0.618 4.958 4.340 -0.001 0.000 0.264 682 L C -1.086 175.462 176.870 -0.537 0.000 1.008 682 L CA -0.783 53.768 54.840 -0.481 0.000 0.819 682 L CB 1.847 43.739 42.059 -0.279 0.000 1.339 682 L HN 0.375 nan 8.230 nan 0.000 0.420 683 F N 3.262 123.012 119.950 -0.334 0.000 2.716 683 F HA 0.383 4.910 4.527 -0.001 0.000 0.354 683 F C -0.507 175.232 175.800 -0.102 0.000 1.168 683 F CA -0.886 56.946 58.000 -0.281 0.000 1.045 683 F CB 1.299 39.966 39.000 -0.556 0.000 1.311 683 F HN 0.099 nan 8.300 nan 0.000 0.477 684 L N 4.678 125.989 121.223 0.146 0.000 2.369 684 L HA 0.276 4.616 4.340 -0.001 0.000 0.279 684 L C -0.346 176.609 176.870 0.141 0.000 1.108 684 L CA -0.059 54.859 54.840 0.130 0.000 0.852 684 L CB 0.196 42.305 42.059 0.085 0.000 1.169 684 L HN 0.580 nan 8.230 nan 0.000 0.452 685 Q N 1.856 121.735 119.800 0.132 0.000 2.342 685 Q HA 0.354 4.694 4.340 -0.001 0.000 0.267 685 Q C -1.143 174.902 176.000 0.077 0.000 1.038 685 Q CA -1.162 54.707 55.803 0.110 0.000 0.832 685 Q CB 2.367 31.172 28.738 0.113 0.000 1.323 685 Q HN 0.402 nan 8.270 nan 0.000 0.448 686 D N 1.485 121.919 120.400 0.057 0.000 2.455 686 D HA -0.021 4.618 4.640 -0.001 0.000 0.241 686 D C 0.226 176.550 176.300 0.040 0.000 1.138 686 D CA 0.910 54.935 54.000 0.042 0.000 0.877 686 D CB 0.904 41.722 40.800 0.030 0.000 1.187 686 D HN 0.546 nan 8.370 nan 0.000 0.451 687 Q N 1.075 120.897 119.800 0.036 0.000 2.497 687 Q HA 0.187 4.526 4.340 -0.001 0.000 0.201 687 Q C 1.262 177.278 176.000 0.026 0.000 0.724 687 Q CA -0.073 55.750 55.803 0.034 0.000 0.923 687 Q CB 0.086 28.849 28.738 0.042 0.000 1.302 687 Q HN 0.413 nan 8.270 nan 0.000 0.484 688 A N 0.881 123.716 122.820 0.025 0.000 2.239 688 A HA 0.325 4.644 4.320 -0.001 0.000 0.209 688 A C 1.135 178.729 177.584 0.017 0.000 1.171 688 A CA 1.037 53.086 52.037 0.020 0.000 0.768 688 A CB -0.648 18.363 19.000 0.019 0.000 0.790 688 A HN 0.482 nan 8.150 nan 0.000 0.478 689 G N -0.573 108.238 108.800 0.019 0.000 2.417 689 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.291 689 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.291 689 G C 0.344 175.254 174.900 0.018 0.000 1.094 689 G CA 0.127 45.238 45.100 0.017 0.000 1.146 689 G HN 0.694 nan 8.290 nan 0.000 0.519 690 V N 0.466 120.393 119.914 0.021 0.000 2.326 690 V HA 0.836 4.956 4.120 -0.001 0.000 0.164 690 V C 1.761 177.869 176.094 0.024 0.000 0.987 690 V CA 1.039 63.351 62.300 0.020 0.000 1.308 690 V CB -0.489 31.345 31.823 0.019 0.000 0.794 690 V HN 1.689 nan 8.190 nan 0.000 0.448 691 G N -2.881 105.935 108.800 0.028 0.000 2.720 691 G HA2 0.429 4.388 3.960 -0.001 0.000 0.295 691 G HA3 0.429 4.388 3.960 -0.001 0.000 0.295 691 G C -0.370 174.564 174.900 0.056 0.000 1.437 691 G CA 0.044 45.170 45.100 0.043 0.000 0.886 691 G HN 0.571 nan 8.290 nan 0.000 0.509 692 H N -0.212 118.855 119.070 -0.005 0.000 2.541 692 H HA -0.024 4.531 4.556 -0.001 0.000 0.289 692 H C 1.767 177.092 175.328 -0.005 0.000 1.054 692 H CA 2.235 58.278 56.048 -0.008 0.000 1.250 692 H CB 0.514 30.269 29.762 -0.012 0.000 1.369 692 H HN 0.426 nan 8.280 nan 0.000 0.578 693 E N -0.431 119.675 120.200 -0.158 0.000 2.216 693 E HA -0.007 4.343 4.350 -0.001 0.000 0.192 693 E C 2.194 178.718 176.600 -0.128 0.000 0.973 693 E CA 0.603 56.884 56.400 -0.198 0.000 0.851 693 E CB 0.279 29.928 29.700 -0.086 0.000 0.804 693 E HN 0.412 nan 8.360 nan 0.000 0.477 694 V N 1.831 121.704 119.914 -0.068 0.000 2.283 694 V HA -0.237 3.883 4.120 -0.001 0.000 0.243 694 V C 2.515 178.590 176.094 -0.032 0.000 1.039 694 V CA 1.699 63.977 62.300 -0.037 0.000 1.016 694 V CB -0.689 31.127 31.823 -0.011 0.000 0.650 694 V HN 0.274 nan 8.190 nan 0.000 0.449 695 L N -0.868 120.340 121.223 -0.025 0.000 2.362 695 L HA -0.014 4.325 4.340 -0.001 0.000 0.219 695 L C 2.113 178.966 176.870 -0.027 0.000 1.134 695 L CA 1.445 56.283 54.840 -0.002 0.000 0.807 695 L CB -1.327 40.747 42.059 0.025 0.000 0.927 695 L HN 0.184 nan 8.230 nan 0.000 0.447 696 L N -0.782 120.380 121.223 -0.102 0.000 2.131 696 L HA -0.156 4.183 4.340 -0.001 0.000 0.210 696 L C 2.654 179.485 176.870 -0.066 0.000 1.092 696 L CA 1.081 55.840 54.840 -0.136 0.000 0.759 696 L CB -0.189 41.693 42.059 -0.296 0.000 0.903 696 L HN 0.443 nan 8.230 nan 0.000 0.435 697 Q N -0.676 119.095 119.800 -0.048 0.000 2.123 697 Q HA -0.115 4.224 4.340 -0.001 0.000 0.199 697 Q C 2.332 178.345 176.000 0.022 0.000 0.966 697 Q CA 1.353 57.147 55.803 -0.015 0.000 0.845 697 Q CB -0.292 28.436 28.738 -0.016 0.000 0.907 697 Q HN 0.603 nan 8.270 nan 0.000 0.439 698 A N 1.739 124.578 122.820 0.032 0.000 1.892 698 A HA -0.269 4.051 4.320 -0.001 0.000 0.218 698 A C 2.171 179.835 177.584 0.134 0.000 1.188 698 A CA 1.751 53.837 52.037 0.083 0.000 0.631 698 A CB -0.561 18.489 19.000 0.082 0.000 0.822 698 A HN 0.311 nan 8.150 nan 0.000 0.447 699 R N -0.434 120.114 120.500 0.079 0.000 2.096 699 R HA -0.175 4.165 4.340 -0.001 0.000 0.240 699 R C 2.006 178.380 176.300 0.124 0.000 1.139 699 R CA 1.644 57.788 56.100 0.073 0.000 0.952 699 R CB -0.522 29.796 30.300 0.028 0.000 0.854 699 R HN 0.556 nan 8.270 nan 0.000 0.436 700 N N 0.803 119.555 118.700 0.086 0.000 2.080 700 N HA -0.123 4.616 4.740 -0.001 0.000 0.189 700 N C 1.547 177.117 175.510 0.100 0.000 1.036 700 N CA 1.264 54.364 53.050 0.082 0.000 0.846 700 N CB -0.166 38.347 38.487 0.043 0.000 1.015 700 N HN 0.249 nan 8.380 nan 0.000 0.423 701 K N -0.091 120.361 120.400 0.086 0.000 2.209 701 K HA -0.094 4.226 4.320 -0.001 0.000 0.204 701 K C 1.928 178.574 176.600 0.076 0.000 1.048 701 K CA 0.571 56.893 56.287 0.059 0.000 0.940 701 K CB -0.229 32.288 32.500 0.028 0.000 0.729 701 K HN 0.135 nan 8.250 nan 0.000 0.451 702 F N 1.280 121.232 119.950 0.004 0.000 2.060 702 F HA -0.217 4.309 4.527 -0.001 0.000 0.295 702 F C 1.906 177.724 175.800 0.030 0.000 1.120 702 F CA 1.049 59.053 58.000 0.006 0.000 1.205 702 F CB -0.070 38.936 39.000 0.011 0.000 0.986 702 F HN -0.150 nan 8.300 nan 0.000 0.470 703 L N -0.167 121.281 121.223 0.375 0.000 2.187 703 L HA -0.276 4.063 4.340 -0.001 0.000 0.213 703 L C 2.362 179.329 176.870 0.163 0.000 1.100 703 L CA 1.244 56.241 54.840 0.262 0.000 0.765 703 L CB -0.880 41.296 42.059 0.194 0.000 0.904 703 L HN 0.249 nan 8.230 nan 0.000 0.437 704 M N -0.794 118.876 119.600 0.116 0.000 2.255 704 M HA -0.276 4.204 4.480 -0.001 0.000 0.260 704 M C 2.316 178.642 176.300 0.043 0.000 1.069 704 M CA 2.151 57.491 55.300 0.067 0.000 1.089 704 M CB -0.899 31.724 32.600 0.038 0.000 1.269 704 M HN 0.216 nan 8.290 nan 0.000 0.434 705 L N -0.742 120.478 121.223 -0.004 0.000 2.141 705 L HA -0.131 4.209 4.340 -0.001 0.000 0.209 705 L C 2.583 179.443 176.870 -0.016 0.000 1.094 705 L CA 0.921 55.732 54.840 -0.047 0.000 0.763 705 L CB -0.927 41.046 42.059 -0.143 0.000 0.908 705 L HN 0.319 nan 8.230 nan 0.000 0.437 706 A N 0.143 122.987 122.820 0.041 0.000 2.015 706 A HA -0.049 4.270 4.320 -0.001 0.000 0.219 706 A C 2.491 180.159 177.584 0.141 0.000 1.163 706 A CA 1.540 53.656 52.037 0.132 0.000 0.646 706 A CB -0.470 18.725 19.000 0.325 0.000 0.806 706 A HN 0.381 nan 8.150 nan 0.000 0.448 707 A N -0.940 121.958 122.820 0.130 0.000 2.021 707 A HA -0.030 4.290 4.320 -0.001 0.000 0.216 707 A C 2.067 179.706 177.584 0.092 0.000 1.163 707 A CA 1.242 53.356 52.037 0.129 0.000 0.676 707 A CB -0.275 18.805 19.000 0.134 0.000 0.818 707 A HN 0.626 nan 8.150 nan 0.000 0.453 708 Q N -0.211 119.627 119.800 0.063 0.000 2.089 708 Q HA -0.026 4.314 4.340 -0.001 0.000 0.195 708 Q C 0.556 176.576 176.000 0.032 0.000 0.963 708 Q CA 0.178 56.005 55.803 0.040 0.000 0.834 708 Q CB -0.161 28.589 28.738 0.020 0.000 0.906 708 Q HN 0.569 nan 8.270 nan 0.000 0.452 709 N N 1.965 120.678 118.700 0.023 0.000 2.365 709 N HA -0.055 4.684 4.740 -0.001 0.000 0.265 709 N C -2.119 173.412 175.510 0.035 0.000 1.288 709 N CA -0.574 52.484 53.050 0.013 0.000 0.869 709 N CB 0.928 39.411 38.487 -0.007 0.000 1.071 709 N HN -0.034 nan 8.380 nan 0.000 0.480 710 P HA 0.102 nan 4.420 nan 0.000 0.247 710 P C 0.121 177.445 177.300 0.040 0.000 1.225 710 P CA 0.282 63.403 63.100 0.034 0.000 0.768 710 P CB 0.288 32.001 31.700 0.021 0.000 1.020 711 A N -0.653 122.193 122.820 0.042 0.000 2.014 711 A HA 0.244 4.563 4.320 -0.001 0.000 0.210 711 A C 0.944 178.578 177.584 0.082 0.000 1.188 711 A CA 0.391 52.455 52.037 0.044 0.000 0.731 711 A CB -0.446 18.565 19.000 0.019 0.000 0.858 711 A HN 0.220 nan 8.150 nan 0.000 0.464 712 L N -1.790 119.500 121.223 0.112 0.000 2.313 712 L HA 0.782 5.122 4.340 -0.001 0.000 0.268 712 L C -0.530 176.452 176.870 0.187 0.000 1.010 712 L CA -1.140 53.811 54.840 0.185 0.000 0.814 712 L CB 1.451 43.663 42.059 0.254 0.000 1.304 712 L HN 0.464 nan 8.230 nan 0.000 0.441 713 Q N -0.589 119.338 119.800 0.213 0.000 2.648 713 Q HA 0.549 4.889 4.340 -0.001 0.000 0.300 713 Q C -0.502 175.610 176.000 0.187 0.000 0.954 713 Q CA -1.054 54.869 55.803 0.199 0.000 0.757 713 Q CB 1.592 30.440 28.738 0.185 0.000 1.482 713 Q HN 0.507 nan 8.270 nan 0.000 0.437 714 R N -1.056 119.575 120.500 0.219 0.000 3.847 714 R HA -0.124 4.215 4.340 -0.001 0.000 0.304 714 R C -0.665 175.541 176.300 -0.156 0.000 1.203 714 R CA 0.963 57.138 56.100 0.126 0.000 0.835 714 R CB -2.295 28.096 30.300 0.152 0.000 1.253 714 R HN 0.457 nan 8.270 nan 0.000 0.516 715 V N 2.351 122.267 119.914 0.004 0.000 2.415 715 V HA -0.050 4.069 4.120 -0.001 0.000 0.252 715 V C 1.352 177.360 176.094 -0.142 0.000 1.043 715 V CA 0.671 62.961 62.300 -0.017 0.000 1.149 715 V CB -0.301 31.636 31.823 0.190 0.000 1.143 715 V HN 0.187 nan 8.190 nan 0.000 0.478 716 R N 5.847 126.145 120.500 -0.337 0.000 2.541 716 R HA 0.580 4.920 4.340 -0.001 0.000 0.263 716 R C -2.473 173.752 176.300 -0.126 0.000 1.112 716 R CA -1.493 54.419 56.100 -0.313 0.000 1.170 716 R CB 0.417 30.478 30.300 -0.399 0.000 1.167 716 R HN 0.377 nan 8.270 nan 0.000 0.582 717 P HA 0.377 nan 4.420 nan 0.000 0.296 717 P C -1.557 175.744 177.300 0.002 0.000 1.297 717 P CA -0.975 62.111 63.100 -0.022 0.000 0.947 717 P CB 1.088 32.800 31.700 0.020 0.000 1.366 718 N N -1.016 117.697 118.700 0.020 0.000 2.296 718 N HA 0.551 5.290 4.740 -0.001 0.000 0.294 718 N C -0.756 174.777 175.510 0.037 0.000 1.033 718 N CA 0.174 53.246 53.050 0.037 0.000 0.839 718 N CB 1.184 39.700 38.487 0.048 0.000 1.395 718 N HN 0.770 nan 8.380 nan 0.000 0.479 719 G N 2.836 111.657 108.800 0.035 0.000 3.038 719 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.241 719 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.241 719 G C 0.567 175.490 174.900 0.038 0.000 0.968 719 G CA -0.079 45.040 45.100 0.030 0.000 0.949 719 G HN 0.500 nan 8.290 nan 0.000 0.394 720 M N 1.842 121.465 119.600 0.040 0.000 1.712 720 M HA 0.487 4.967 4.480 -0.001 0.000 0.155 720 M C 1.428 177.750 176.300 0.036 0.000 1.239 720 M CA 0.572 55.897 55.300 0.041 0.000 0.705 720 M CB -1.525 31.099 32.600 0.040 0.000 1.049 720 M HN 1.451 nan 8.290 nan 0.000 0.336 721 S N 0.090 115.805 115.700 0.024 0.000 2.700 721 S HA 0.063 4.533 4.470 -0.001 0.000 0.250 721 S C -0.182 174.432 174.600 0.022 0.000 1.355 721 S CA -0.230 57.975 58.200 0.008 0.000 0.970 721 S CB -0.263 62.925 63.200 -0.021 0.000 0.975 721 S HN 0.660 nan 8.310 nan 0.000 0.563 722 D N 1.137 121.538 120.400 0.001 0.000 2.255 722 D HA 0.405 5.045 4.640 -0.001 0.000 0.249 722 D C -0.069 176.266 176.300 0.058 0.000 1.078 722 D CA -0.115 53.908 54.000 0.038 0.000 0.896 722 D CB 0.583 41.404 40.800 0.034 0.000 1.194 722 D HN 0.521 nan 8.370 nan 0.000 0.429 723 E N 1.177 121.436 120.200 0.098 0.000 2.250 723 E HA 0.364 4.713 4.350 -0.001 0.000 0.269 723 E C -2.278 174.419 176.600 0.161 0.000 1.018 723 E CA -1.986 54.482 56.400 0.113 0.000 0.873 723 E CB 1.263 30.994 29.700 0.051 0.000 1.134 723 E HN 0.098 nan 8.360 nan 0.000 0.403 724 P HA 0.093 nan 4.420 nan 0.000 0.281 724 P C -1.127 175.910 177.300 -0.437 0.000 1.252 724 P CA 0.136 63.071 63.100 -0.276 0.000 0.778 724 P CB 0.710 32.246 31.700 -0.272 0.000 0.895 725 Q N 1.583 120.994 119.800 -0.647 0.000 2.587 725 Q HA 0.515 4.854 4.340 -0.001 0.000 0.293 725 Q C -0.729 174.842 176.000 -0.715 0.000 1.083 725 Q CA -0.603 54.932 55.803 -0.447 0.000 0.792 725 Q CB 1.401 30.009 28.738 -0.217 0.000 1.484 725 Q HN 0.343 nan 8.270 nan 0.000 0.446 726 Y N -0.267 119.787 120.300 -0.409 0.000 3.203 726 Y HA 0.619 5.169 4.550 -0.001 0.000 0.326 726 Y C -0.082 175.704 175.900 -0.190 0.000 1.438 726 Y CA -0.653 57.261 58.100 -0.309 0.000 0.937 726 Y CB 1.147 39.455 38.460 -0.252 0.000 1.296 726 Y HN 0.324 nan 8.280 nan 0.000 0.766 727 K N -0.578 119.869 120.400 0.077 0.000 2.680 727 K HA 0.517 4.836 4.320 -0.001 0.000 0.295 727 K C -1.835 174.762 176.600 -0.004 0.000 1.052 727 K CA -0.616 55.675 56.287 0.007 0.000 0.863 727 K CB 1.718 34.222 32.500 0.006 0.000 1.549 727 K HN 0.421 nan 8.250 nan 0.000 0.391 728 L N 2.039 123.257 121.223 -0.009 0.000 2.869 728 L HA 0.184 4.523 4.340 -0.001 0.000 0.320 728 L C -0.809 176.074 176.870 0.022 0.000 1.306 728 L CA -0.188 54.655 54.840 0.004 0.000 0.731 728 L CB 1.254 43.299 42.059 -0.022 0.000 1.123 728 L HN 0.542 nan 8.230 nan 0.000 0.553 729 E N 3.160 123.372 120.200 0.020 0.000 2.652 729 E HA 0.063 4.413 4.350 -0.001 0.000 0.255 729 E C -0.298 176.313 176.600 0.018 0.000 0.952 729 E CA 0.737 57.146 56.400 0.015 0.000 0.947 729 E CB 0.517 30.226 29.700 0.014 0.000 0.912 729 E HN 0.368 nan 8.360 nan 0.000 0.489 730 I N -0.105 120.471 120.570 0.009 0.000 2.563 730 I HA 0.316 4.485 4.170 -0.001 0.000 0.285 730 I C -1.140 174.977 176.117 -0.000 0.000 1.123 730 I CA -1.205 60.096 61.300 0.003 0.000 1.059 730 I CB 1.623 39.622 38.000 -0.001 0.000 1.229 730 I HN 0.092 nan 8.210 nan 0.000 0.442 731 D N 5.355 125.752 120.400 -0.004 0.000 2.308 731 D HA 0.155 4.795 4.640 -0.001 0.000 0.251 731 D C 0.527 176.830 176.300 0.006 0.000 1.127 731 D CA -0.012 53.986 54.000 -0.003 0.000 0.876 731 D CB 1.458 42.251 40.800 -0.011 0.000 1.176 731 D HN 0.441 nan 8.370 nan 0.000 0.446 732 D N 1.823 122.228 120.400 0.008 0.000 2.390 732 D HA -0.076 4.563 4.640 -0.001 0.000 0.235 732 D C 1.073 177.385 176.300 0.021 0.000 1.040 732 D CA 0.552 54.561 54.000 0.015 0.000 0.923 732 D CB 0.279 41.086 40.800 0.012 0.000 0.886 732 D HN 0.552 nan 8.370 nan 0.000 0.532 733 E N 0.781 120.990 120.200 0.015 0.000 2.021 733 E HA -0.005 4.345 4.350 -0.001 0.000 0.191 733 E C 1.748 178.366 176.600 0.030 0.000 0.971 733 E CA 0.363 56.770 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 0.076 nan 8.360 nan 0.000 0.460 734 K N 0.956 121.362 120.400 0.010 0.000 2.211 734 K HA -0.138 4.182 4.320 -0.001 0.000 0.204 734 K C 2.090 178.830 176.600 0.234 0.000 1.047 734 K CA 0.894 57.193 56.287 0.019 0.000 0.935 734 K CB -0.171 32.217 32.500 -0.187 0.000 0.728 734 K HN 0.101 nan 8.250 nan 0.000 0.452 735 A N 1.722 124.645 122.820 0.172 0.000 1.835 735 A HA -0.179 4.140 4.320 -0.001 0.000 0.215 735 A C 2.137 179.782 177.584 0.102 0.000 1.199 735 A CA 2.183 54.310 52.037 0.150 0.000 0.615 735 A CB -0.802 18.234 19.000 0.060 0.000 0.838 735 A HN 0.384 nan 8.150 nan 0.000 0.444 736 S N -0.075 115.666 115.700 0.068 0.000 2.603 736 S HA 0.323 4.792 4.470 -0.001 0.000 0.229 736 S C 1.611 176.249 174.600 0.063 0.000 0.972 736 S CA 0.864 59.093 58.200 0.049 0.000 0.935 736 S CB -0.375 62.844 63.200 0.032 0.000 0.769 736 S HN 0.795 nan 8.310 nan 0.000 0.536 737 A N 2.398 125.280 122.820 0.104 0.000 1.832 737 A HA 0.295 4.614 4.320 -0.001 0.000 0.214 737 A C 1.778 179.432 177.584 0.117 0.000 1.204 737 A CA 0.784 52.888 52.037 0.111 0.000 0.606 737 A CB -0.664 18.418 19.000 0.137 0.000 0.849 737 A HN 0.539 nan 8.150 nan 0.000 0.445 738 L N 0.236 121.559 121.223 0.167 0.000 2.805 738 L HA 0.270 4.610 4.340 -0.001 0.000 0.237 738 L C 0.947 177.825 176.870 0.014 0.000 1.252 738 L CA 0.205 55.099 54.840 0.090 0.000 1.064 738 L CB -0.733 41.380 42.059 0.090 0.000 1.361 738 L HN 0.649 nan 8.230 nan 0.000 0.474 739 G N 0.715 109.529 108.800 0.024 0.000 2.462 739 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.283 739 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.283 739 G C -0.491 174.399 174.900 -0.018 0.000 1.043 739 G CA -0.154 44.949 45.100 0.005 0.000 1.300 739 G HN 0.160 nan 8.290 nan 0.000 0.518 740 V N 2.010 121.915 119.914 -0.016 0.000 2.568 740 V HA 0.522 4.642 4.120 -0.001 0.000 0.276 740 V C 0.769 176.856 176.094 -0.011 0.000 1.002 740 V CA -0.308 61.973 62.300 -0.032 0.000 0.879 740 V CB 1.220 32.991 31.823 -0.086 0.000 1.040 740 V HN 1.219 nan 8.190 nan 0.000 0.457 741 S N 4.970 120.668 115.700 -0.003 0.000 2.617 741 S HA 0.460 4.930 4.470 -0.001 0.000 0.255 741 S C 0.470 175.071 174.600 0.002 0.000 1.318 741 S CA -0.465 57.737 58.200 0.003 0.000 0.978 741 S CB 0.661 63.865 63.200 0.006 0.000 0.961 741 S HN 0.530 nan 8.310 nan 0.000 0.582 742 L N 0.706 121.933 121.223 0.006 0.000 2.888 742 L HA 0.324 4.663 4.340 -0.001 0.000 0.237 742 L C 1.385 178.262 176.870 0.011 0.000 1.288 742 L CA -0.032 54.813 54.840 0.008 0.000 1.110 742 L CB -0.762 41.303 42.059 0.009 0.000 1.441 742 L HN 0.923 nan 8.230 nan 0.000 0.474 743 A N -1.486 121.341 122.820 0.012 0.000 2.211 743 A HA 0.106 4.426 4.320 -0.001 0.000 0.208 743 A C 1.321 178.917 177.584 0.019 0.000 1.250 743 A CA 0.088 52.133 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 0.276 nan 8.150 nan 0.000 0.490 744 D N 0.435 120.846 120.400 0.019 0.000 2.527 744 D HA 0.031 4.670 4.640 -0.001 0.000 0.249 744 D C 1.981 178.306 176.300 0.042 0.000 1.029 744 D CA 1.274 55.291 54.000 0.030 0.000 0.951 744 D CB -0.466 40.349 40.800 0.026 0.000 1.093 744 D HN 0.464 nan 8.370 nan 0.000 0.464 745 I N -0.178 120.407 120.570 0.025 0.000 2.530 745 I HA -0.194 3.976 4.170 -0.001 0.000 0.257 745 I C 1.142 177.294 176.117 0.059 0.000 1.179 745 I CA 1.176 62.493 61.300 0.029 0.000 1.440 745 I CB -0.498 37.470 38.000 -0.052 0.000 1.087 745 I HN -0.173 nan 8.210 nan 0.000 0.440 746 N N 1.937 120.661 118.700 0.040 0.000 2.148 746 N HA -0.095 4.644 4.740 -0.001 0.000 0.186 746 N C 1.590 177.126 175.510 0.044 0.000 1.031 746 N CA 1.798 54.871 53.050 0.039 0.000 0.848 746 N CB -0.388 38.113 38.487 0.024 0.000 1.005 746 N HN 0.526 nan 8.380 nan 0.000 0.427 747 S N -1.515 114.207 115.700 0.037 0.000 2.602 747 S HA 0.231 4.700 4.470 -0.001 0.000 0.246 747 S C 0.901 175.519 174.600 0.030 0.000 1.009 747 S CA -0.206 58.011 58.200 0.029 0.000 1.052 747 S CB 0.283 63.495 63.200 0.020 0.000 0.778 747 S HN 0.201 nan 8.310 nan 0.000 0.455 748 T N -0.158 114.427 114.554 0.053 0.000 2.964 748 T HA 0.194 4.544 4.350 -0.001 0.000 0.250 748 T C 1.387 176.094 174.700 0.012 0.000 0.982 748 T CA 0.536 62.661 62.100 0.043 0.000 0.959 748 T CB -0.033 68.898 68.868 0.105 0.000 1.141 748 T HN 0.228 nan 8.240 nan 0.000 0.494 749 V N 2.557 122.538 119.914 0.112 0.000 2.453 749 V HA -0.060 4.060 4.120 -0.001 0.000 0.247 749 V C 2.850 179.035 176.094 0.151 0.000 1.048 749 V CA 2.003 64.412 62.300 0.181 0.000 1.049 749 V CB -0.707 31.257 31.823 0.235 0.000 0.672 749 V HN 0.647 nan 8.190 nan 0.000 0.457 750 S N 2.175 117.914 115.700 0.066 0.000 2.348 750 S HA -0.156 4.314 4.470 -0.001 0.000 0.221 750 S C 1.866 176.474 174.600 0.014 0.000 1.033 750 S CA 1.717 59.942 58.200 0.042 0.000 1.010 750 S CB -0.783 62.429 63.200 0.020 0.000 0.891 750 S HN 0.740 nan 8.310 nan 0.000 0.442 751 I N -1.186 119.365 120.570 -0.032 0.000 3.749 751 I HA 0.570 4.740 4.170 -0.001 0.000 0.314 751 I C 1.395 177.420 176.117 -0.153 0.000 1.278 751 I CA 0.219 61.485 61.300 -0.057 0.000 1.158 751 I CB -0.193 37.778 38.000 -0.048 0.000 1.018 751 I HN 0.339 nan 8.210 nan 0.000 0.435 752 A N 0.373 123.027 122.820 -0.277 0.000 1.997 752 A HA 0.215 4.535 4.320 -0.001 0.000 0.198 752 A C 1.469 178.702 177.584 -0.585 0.000 1.449 752 A CA -0.109 51.538 52.037 -0.651 0.000 0.908 752 A CB -0.601 17.581 19.000 -1.362 0.000 0.984 752 A HN 0.579 nan 8.150 nan 0.000 0.487 753 W N 0.426 121.543 121.300 -0.304 0.000 2.539 753 W HA 0.279 4.939 4.660 -0.001 0.000 0.281 753 W C 2.184 178.652 176.519 -0.084 0.000 1.220 753 W CA 0.934 58.165 57.345 -0.189 0.000 1.332 753 W CB -0.195 29.139 29.460 -0.209 0.000 1.095 753 W HN 0.383 nan 8.180 nan 0.000 0.571 754 G N -0.412 108.473 108.800 0.142 0.000 2.568 754 G HA2 0.385 4.344 3.960 -0.001 0.000 0.212 754 G HA3 0.385 4.344 3.960 -0.001 0.000 0.212 754 G C 0.274 175.238 174.900 0.107 0.000 1.821 754 G CA 1.163 46.330 45.100 0.112 0.000 0.904 754 G HN 0.138 nan 8.290 nan 0.000 0.566 755 S N -3.055 112.710 115.700 0.109 0.000 2.715 755 S HA 0.598 5.067 4.470 -0.001 0.000 0.284 755 S C -1.115 173.555 174.600 0.118 0.000 1.216 755 S CA 0.296 58.584 58.200 0.146 0.000 0.970 755 S CB 1.270 64.639 63.200 0.282 0.000 1.273 755 S HN 1.262 nan 8.310 nan 0.000 0.509 756 S N 0.006 115.784 115.700 0.130 0.000 2.511 756 S HA 0.352 4.822 4.470 -0.001 0.000 0.283 756 S C -1.820 172.654 174.600 -0.210 0.000 1.078 756 S CA -0.599 57.601 58.200 0.001 0.000 0.994 756 S CB 0.272 63.452 63.200 -0.035 0.000 1.171 756 S HN 1.071 nan 8.310 nan 0.000 0.444 757 Y N 5.950 126.001 120.300 -0.416 0.000 2.677 757 Y HA 0.316 4.866 4.550 -0.001 0.000 0.335 757 Y C 0.777 176.485 175.900 -0.321 0.000 1.162 757 Y CA 0.878 58.597 58.100 -0.636 0.000 1.483 757 Y CB 0.440 38.646 38.460 -0.422 0.000 1.209 757 Y HN 0.468 nan 8.280 nan 0.000 0.528 758 V N 4.293 123.747 119.914 -0.767 0.000 2.735 758 V HA 0.200 4.319 4.120 -0.001 0.000 0.234 758 V C 0.016 175.783 176.094 -0.545 0.000 1.121 758 V CA 0.309 62.323 62.300 -0.476 0.000 1.160 758 V CB -0.198 31.439 31.823 -0.310 0.000 0.908 758 V HN 0.612 nan 8.190 nan 0.000 0.495 759 N N -0.742 117.605 118.700 -0.589 0.000 2.571 759 N HA 0.471 5.210 4.740 -0.001 0.000 0.273 759 N C -1.612 173.749 175.510 -0.249 0.000 1.340 759 N CA -0.635 52.220 53.050 -0.325 0.000 0.789 759 N CB 1.537 39.975 38.487 -0.082 0.000 1.514 759 N HN 0.096 nan 8.380 nan 0.000 0.499 760 D N 0.034 120.421 120.400 -0.022 0.000 2.294 760 D HA 0.519 5.159 4.640 -0.001 0.000 0.250 760 D C -0.725 175.726 176.300 0.252 0.000 1.058 760 D CA 0.138 54.197 54.000 0.098 0.000 0.950 760 D CB 0.851 41.706 40.800 0.091 0.000 1.158 760 D HN 0.399 nan 8.370 nan 0.000 0.453 761 F N -0.714 119.283 119.950 0.078 0.000 2.615 761 F HA 0.426 4.953 4.527 -0.001 0.000 0.312 761 F C -0.762 175.097 175.800 0.097 0.000 1.119 761 F CA -1.346 56.729 58.000 0.125 0.000 0.979 761 F CB 0.401 39.550 39.000 0.249 0.000 1.266 761 F HN 0.190 nan 8.300 nan 0.000 0.444 762 I N 1.376 122.011 120.570 0.107 0.000 2.588 762 I HA 0.458 4.627 4.170 -0.001 0.000 0.283 762 I C -0.828 175.326 176.117 0.062 0.000 1.119 762 I CA 0.143 61.446 61.300 0.006 0.000 1.419 762 I CB 1.037 39.067 38.000 0.050 0.000 1.394 762 I HN 0.706 nan 8.210 nan 0.000 0.562 763 D N 5.796 126.173 120.400 -0.039 0.000 2.323 763 D HA 0.256 4.896 4.640 -0.001 0.000 0.242 763 D C -0.079 176.243 176.300 0.036 0.000 1.347 763 D CA -0.619 53.413 54.000 0.053 0.000 0.988 763 D CB 0.694 41.513 40.800 0.031 0.000 1.314 763 D HN 0.654 nan 8.370 nan 0.000 0.564 764 R N 2.510 123.039 120.500 0.050 0.000 3.525 764 R HA -0.160 4.180 4.340 -0.001 0.000 0.276 764 R C 1.065 177.369 176.300 0.006 0.000 1.116 764 R CA 1.027 57.147 56.100 0.032 0.000 0.745 764 R CB -1.632 28.696 30.300 0.048 0.000 1.185 764 R HN 0.867 nan 8.270 nan 0.000 0.454 765 G N -0.343 108.457 108.800 -0.001 0.000 2.179 765 G HA2 -0.390 3.570 3.960 -0.001 0.000 0.260 765 G HA3 -0.390 3.570 3.960 -0.001 0.000 0.260 765 G C 0.073 174.955 174.900 -0.031 0.000 0.977 765 G CA 0.435 45.526 45.100 -0.015 0.000 0.641 765 G HN 0.456 nan 8.290 nan 0.000 0.533 766 R N 0.615 121.087 120.500 -0.047 0.000 2.337 766 R HA 0.549 4.889 4.340 -0.001 0.000 0.319 766 R C 0.431 176.657 176.300 -0.123 0.000 0.954 766 R CA -0.646 55.412 56.100 -0.069 0.000 0.840 766 R CB 1.107 31.369 30.300 -0.064 0.000 1.164 766 R HN 0.102 nan 8.270 nan 0.000 0.472 767 V N 5.710 125.562 119.914 -0.102 0.000 2.625 767 V HA -0.094 4.025 4.120 -0.001 0.000 0.305 767 V C 0.410 176.396 176.094 -0.179 0.000 1.055 767 V CA 0.985 63.208 62.300 -0.129 0.000 1.209 767 V CB 0.064 31.858 31.823 -0.049 0.000 0.877 767 V HN 0.824 nan 8.190 nan 0.000 0.489 768 K N 4.815 125.003 120.400 -0.353 0.000 2.054 768 K HA 0.732 5.052 4.320 -0.001 0.000 0.248 768 K C -0.880 175.639 176.600 -0.135 0.000 1.019 768 K CA -1.247 54.861 56.287 -0.298 0.000 0.855 768 K CB 1.797 34.023 32.500 -0.457 0.000 1.473 768 K HN 0.449 nan 8.250 nan 0.000 0.483 769 R N 0.935 121.512 120.500 0.129 0.000 2.686 769 R HA 0.388 4.728 4.340 -0.001 0.000 0.286 769 R C -0.799 175.751 176.300 0.417 0.000 0.969 769 R CA -0.942 55.354 56.100 0.326 0.000 0.898 769 R CB 1.941 32.575 30.300 0.558 0.000 1.183 769 R HN 0.430 nan 8.270 nan 0.000 0.456 770 V N 0.040 120.005 119.914 0.086 0.000 2.407 770 V HA 0.519 4.639 4.120 -0.001 0.000 0.278 770 V C -1.056 174.888 176.094 -0.251 0.000 1.037 770 V CA -0.511 61.702 62.300 -0.145 0.000 0.900 770 V CB 0.604 32.196 31.823 -0.385 0.000 0.983 770 V HN 0.593 nan 8.190 nan 0.000 0.459 771 Y N 3.841 124.007 120.300 -0.225 0.000 2.429 771 Y HA 0.662 5.212 4.550 -0.001 0.000 0.342 771 Y C -0.038 175.696 175.900 -0.277 0.000 1.004 771 Y CA -0.850 57.138 58.100 -0.187 0.000 1.075 771 Y CB 2.367 40.760 38.460 -0.111 0.000 1.214 771 Y HN 0.636 nan 8.280 nan 0.000 0.455 772 L N 4.443 125.620 121.223 -0.077 0.000 2.313 772 L HA 0.425 4.765 4.340 -0.001 0.000 0.273 772 L C -0.799 176.035 176.870 -0.059 0.000 1.028 772 L CA -0.213 54.556 54.840 -0.117 0.000 0.871 772 L CB 0.639 42.635 42.059 -0.104 0.000 1.242 772 L HN 0.618 nan 8.230 nan 0.000 0.434 773 Q N 1.466 121.210 119.800 -0.093 0.000 2.348 773 Q HA 0.493 4.833 4.340 -0.001 0.000 0.271 773 Q C 0.141 176.235 176.000 0.156 0.000 1.067 773 Q CA -0.785 55.051 55.803 0.054 0.000 0.839 773 Q CB 2.619 31.483 28.738 0.209 0.000 1.354 773 Q HN 0.659 nan 8.270 nan 0.000 0.447 774 G N 0.815 109.678 108.800 0.105 0.000 2.606 774 G HA2 0.152 4.112 3.960 -0.001 0.000 0.252 774 G HA3 0.152 4.112 3.960 -0.001 0.000 0.252 774 G C -0.360 174.722 174.900 0.304 0.000 1.206 774 G CA -0.319 44.926 45.100 0.242 0.000 0.861 774 G HN 0.536 nan 8.290 nan 0.000 0.561 775 R N 1.632 122.288 120.500 0.260 0.000 2.538 775 R HA 0.043 4.382 4.340 -0.001 0.000 0.282 775 R C -1.339 174.945 176.300 -0.027 0.000 1.009 775 R CA -0.847 55.309 56.100 0.093 0.000 1.063 775 R CB 0.613 30.920 30.300 0.012 0.000 0.945 775 R HN 0.216 nan 8.270 nan 0.000 0.414 776 P HA -0.180 nan 4.420 nan 0.000 0.218 776 P C -0.034 177.194 177.300 -0.119 0.000 1.146 776 P CA 1.180 64.159 63.100 -0.201 0.000 0.813 776 P CB 0.219 31.701 31.700 -0.365 0.000 0.778 777 D N -0.016 120.315 120.400 -0.115 0.000 2.084 777 D HA -0.074 4.565 4.640 -0.001 0.000 0.196 777 D C 1.115 177.381 176.300 -0.055 0.000 0.985 777 D CA 1.234 55.184 54.000 -0.083 0.000 0.826 777 D CB -0.813 39.934 40.800 -0.089 0.000 0.978 777 D HN 0.091 nan 8.370 nan 0.000 0.456 778 A N 0.216 122.995 122.820 -0.068 0.000 3.000 778 A HA 0.479 4.799 4.320 -0.001 0.000 0.315 778 A C 0.808 178.376 177.584 -0.026 0.000 1.434 778 A CA -0.263 51.731 52.037 -0.070 0.000 1.108 778 A CB 0.013 18.884 19.000 -0.216 0.000 1.171 778 A HN 0.067 nan 8.150 nan 0.000 0.524 779 R N 1.281 121.781 120.500 -0.001 0.000 2.333 779 R HA 0.071 4.411 4.340 -0.001 0.000 0.082 779 R C 0.106 176.516 176.300 0.183 0.000 0.528 779 R CA 0.473 56.548 56.100 -0.041 0.000 0.877 779 R CB -0.524 29.730 30.300 -0.075 0.000 1.050 779 R HN 0.672 nan 8.270 nan 0.000 0.526 780 M N 0.380 120.064 119.600 0.140 0.000 2.313 780 M HA 0.308 4.788 4.480 -0.001 0.000 0.273 780 M C -0.939 175.430 176.300 0.116 0.000 1.049 780 M CA 0.233 55.597 55.300 0.107 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 -1.099 117.696 118.700 0.159 0.000 2.610 781 N HA 0.361 5.101 4.740 -0.001 0.000 0.264 781 N C -2.370 173.214 175.510 0.124 0.000 1.348 781 N CA -1.105 52.020 53.050 0.125 0.000 0.819 781 N CB 1.473 40.026 38.487 0.109 0.000 1.521 781 N HN -0.295 nan 8.380 nan 0.000 0.497 782 P HA -0.083 nan 4.420 nan 0.000 0.214 782 P C 0.374 177.740 177.300 0.109 0.000 1.163 782 P CA 1.367 64.513 63.100 0.077 0.000 0.889 782 P CB 0.336 32.183 31.700 0.245 0.000 0.790 783 D N -0.884 119.592 120.400 0.127 0.000 2.310 783 D HA -0.105 4.535 4.640 -0.001 0.000 0.212 783 D C 0.680 177.070 176.300 0.151 0.000 0.965 783 D CA 0.887 54.959 54.000 0.121 0.000 0.879 783 D CB -0.712 40.143 40.800 0.092 0.000 0.921 783 D HN 0.165 nan 8.370 nan 0.000 0.510 784 D N -0.095 120.424 120.400 0.198 0.000 2.368 784 D HA -0.014 4.625 4.640 -0.001 0.000 0.250 784 D C 1.866 178.435 176.300 0.449 0.000 1.142 784 D CA 0.061 54.204 54.000 0.239 0.000 0.925 784 D CB -0.112 40.821 40.800 0.221 0.000 0.896 784 D HN 0.290 nan 8.370 nan 0.000 0.525 785 L N 0.258 121.723 121.223 0.403 0.000 2.068 785 L HA -0.125 4.215 4.340 -0.001 0.000 0.204 785 L C 2.468 179.464 176.870 0.211 0.000 1.076 785 L CA 0.999 56.086 54.840 0.411 0.000 0.753 785 L CB -0.437 41.697 42.059 0.125 0.000 0.910 785 L HN 0.059 nan 8.230 nan 0.000 0.439 786 S N -0.193 115.606 115.700 0.164 0.000 2.419 786 S HA -0.212 4.258 4.470 -0.001 0.000 0.235 786 S C 1.793 176.403 174.600 0.017 0.000 1.019 786 S CA 0.952 59.224 58.200 0.120 0.000 0.982 786 S CB -0.479 62.788 63.200 0.110 0.000 0.789 786 S HN 0.359 nan 8.310 nan 0.000 0.490 787 K N -0.049 120.351 120.400 -0.000 0.000 2.360 787 K HA -0.065 4.255 4.320 -0.001 0.000 0.201 787 K C -0.400 176.084 176.600 -0.194 0.000 1.046 787 K CA 0.712 56.927 56.287 -0.120 0.000 0.940 787 K CB -0.147 32.161 32.500 -0.321 0.000 0.748 787 K HN 0.537 nan 8.250 nan 0.000 0.465 788 W N 0.505 121.782 121.300 -0.039 0.000 2.361 788 W HA 0.272 4.932 4.660 -0.001 0.000 0.309 788 W C -0.297 176.312 176.519 0.150 0.000 1.122 788 W CA -0.745 56.612 57.345 0.020 0.000 1.208 788 W CB 0.489 29.823 29.460 -0.209 0.000 1.246 788 W HN -0.127 nan 8.180 nan 0.000 0.490 789 Y N 1.713 122.245 120.300 0.385 0.000 2.468 789 Y HA 0.626 5.176 4.550 -0.001 0.000 0.342 789 Y C -0.009 176.041 175.900 0.250 0.000 1.021 789 Y CA -1.348 56.923 58.100 0.285 0.000 1.079 789 Y CB 1.451 39.992 38.460 0.135 0.000 1.226 789 Y HN -0.011 nan 8.280 nan 0.000 0.460 790 V N 3.518 123.590 119.914 0.264 0.000 2.555 790 V HA 0.494 4.614 4.120 -0.001 0.000 0.302 790 V C -0.263 175.876 176.094 0.076 0.000 1.038 790 V CA -1.396 60.992 62.300 0.147 0.000 0.887 790 V CB 1.678 33.531 31.823 0.049 0.000 0.991 790 V HN 0.789 nan 8.190 nan 0.000 0.434 791 R N 2.511 123.052 120.500 0.069 0.000 2.738 791 R HA 0.285 4.625 4.340 -0.001 0.000 0.268 791 R C -0.493 175.806 176.300 -0.001 0.000 1.062 791 R CA -0.449 55.674 56.100 0.039 0.000 1.158 791 R CB 0.222 30.547 30.300 0.042 0.000 1.046 791 R HN 0.606 nan 8.270 nan 0.000 0.493 792 N N 0.443 119.139 118.700 -0.007 0.000 2.495 792 N HA 0.078 4.818 4.740 -0.001 0.000 0.280 792 N C -0.411 175.096 175.510 -0.006 0.000 1.168 792 N CA -0.688 52.349 53.050 -0.020 0.000 0.978 792 N CB 0.933 39.408 38.487 -0.019 0.000 1.191 792 N HN 0.569 nan 8.380 nan 0.000 0.497 793 D N 0.343 120.740 120.400 -0.006 0.000 2.378 793 D HA -0.021 4.618 4.640 -0.001 0.000 0.227 793 D C 0.538 176.840 176.300 0.004 0.000 1.012 793 D CA 1.078 55.079 54.000 0.002 0.000 0.905 793 D CB 0.275 41.077 40.800 0.003 0.000 0.895 793 D HN 0.473 nan 8.370 nan 0.000 0.532 794 K N -1.904 118.498 120.400 0.004 0.000 2.462 794 K HA 0.343 4.663 4.320 -0.001 0.000 0.201 794 K C 1.348 177.951 176.600 0.006 0.000 1.268 794 K CA 0.539 56.829 56.287 0.006 0.000 0.933 794 K CB 2.018 34.522 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 -0.137 3.822 3.960 -0.001 0.000 0.206 795 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.206 795 G C -0.262 174.642 174.900 0.005 0.000 1.086 795 G CA -0.540 44.564 45.100 0.006 0.000 0.894 795 G HN 0.133 nan 8.290 nan 0.000 0.412 796 E N 0.809 121.010 120.200 0.003 0.000 2.470 796 E HA 0.423 4.773 4.350 -0.001 0.000 0.258 796 E C 0.235 176.839 176.600 0.007 0.000 1.295 796 E CA 0.197 56.598 56.400 0.003 0.000 1.032 796 E CB 0.248 29.951 29.700 0.006 0.000 0.980 796 E HN 0.190 nan 8.360 nan 0.000 0.500 797 M N 0.539 120.150 119.600 0.019 0.000 2.598 797 M HA 0.433 4.913 4.480 -0.001 0.000 0.317 797 M C -0.624 175.729 176.300 0.089 0.000 1.201 797 M CA -0.895 54.446 55.300 0.067 0.000 0.971 797 M CB 1.596 34.228 32.600 0.054 0.000 1.657 797 M HN 0.172 nan 8.290 nan 0.000 0.470 798 V N 2.866 122.844 119.914 0.107 0.000 2.577 798 V HA 0.437 4.556 4.120 -0.001 0.000 0.303 798 V C -2.300 173.720 176.094 -0.123 0.000 1.042 798 V CA -1.430 60.774 62.300 -0.160 0.000 0.872 798 V CB 2.459 33.937 31.823 -0.576 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 0.104 177.390 177.300 -0.023 0.000 1.282 799 P CA -0.238 62.606 63.100 -0.427 0.000 0.788 799 P CB 0.754 32.377 31.700 -0.127 0.000 1.139 800 F N -0.945 118.945 119.950 -0.100 0.000 2.727 800 F HA 0.068 4.595 4.527 -0.001 0.000 0.302 800 F C 1.687 177.561 175.800 0.124 0.000 1.097 800 F CA 0.412 58.464 58.000 0.086 0.000 1.330 800 F CB -0.535 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 -0.001 0.000 0.195 801 N C 1.649 177.202 175.510 0.071 0.000 1.083 801 N CA 1.695 54.838 53.050 0.156 0.000 0.875 801 N CB -0.976 37.592 38.487 0.134 0.000 1.067 801 N HN 0.110 nan 8.380 nan 0.000 0.428 802 A N -0.798 122.003 122.820 -0.032 0.000 2.503 802 A HA 0.318 4.637 4.320 -0.001 0.000 0.263 802 A C -0.164 176.964 177.584 -0.759 0.000 1.360 802 A CA -0.102 51.723 52.037 -0.353 0.000 0.969 802 A CB -0.968 17.763 19.000 -0.449 0.000 1.000 802 A HN 0.330 nan 8.150 nan 0.000 0.530 803 F N -1.467 118.445 119.950 -0.063 0.000 2.901 803 F HA 0.549 5.075 4.527 -0.001 0.000 0.329 803 F C 0.421 176.101 175.800 -0.200 0.000 1.185 803 F CA 0.291 58.208 58.000 -0.140 0.000 1.114 803 F CB 0.591 39.472 39.000 -0.200 0.000 1.199 803 F HN 0.283 nan 8.300 nan 0.000 0.513 804 A N 0.112 122.947 122.820 0.025 0.000 2.596 804 A HA 0.540 4.859 4.320 -0.001 0.000 0.305 804 A C -1.100 176.550 177.584 0.111 0.000 1.032 804 A CA -0.391 51.682 52.037 0.060 0.000 0.776 804 A CB 0.769 19.832 19.000 0.105 0.000 1.253 804 A HN -0.028 nan 8.150 nan 0.000 0.402 805 T N 0.279 114.882 114.554 0.083 0.000 2.924 805 T HA 0.809 5.159 4.350 -0.001 0.000 0.291 805 T C 0.009 174.757 174.700 0.080 0.000 1.045 805 T CA 0.204 62.350 62.100 0.076 0.000 1.015 805 T CB 1.658 70.551 68.868 0.042 0.000 1.103 805 T HN 2.046 nan 8.240 nan 0.000 0.496 806 G N 2.969 111.822 108.800 0.089 0.000 2.683 806 G HA2 0.579 4.539 3.960 -0.001 0.000 0.299 806 G HA3 0.579 4.539 3.960 -0.001 0.000 0.299 806 G C -0.551 174.430 174.900 0.134 0.000 1.432 806 G CA -0.624 44.539 45.100 0.106 0.000 0.978 806 G HN 0.733 nan 8.290 nan 0.000 0.513 807 K N 0.639 121.112 120.400 0.122 0.000 2.385 807 K HA 0.525 4.845 4.320 -0.001 0.000 0.274 807 K C -0.985 175.718 176.600 0.172 0.000 0.981 807 K CA -0.904 55.457 56.287 0.123 0.000 1.400 807 K CB 1.452 33.993 32.500 0.067 0.000 2.019 807 K HN 0.473 nan 8.250 nan 0.000 0.855 808 W N 1.394 122.587 121.300 -0.177 0.000 3.698 808 W HA 0.220 4.879 4.660 -0.001 0.000 0.315 808 W C -1.522 174.800 176.519 -0.327 0.000 1.129 808 W CA -0.092 57.045 57.345 -0.346 0.000 1.299 808 W CB 1.135 30.382 29.460 -0.355 0.000 1.181 808 W HN 0.627 nan 8.180 nan 0.000 0.423 809 E N 2.181 122.062 120.200 -0.531 0.000 2.440 809 E HA 0.482 4.831 4.350 -0.001 0.000 0.263 809 E C -1.752 174.490 176.600 -0.597 0.000 0.938 809 E CA -1.024 55.148 56.400 -0.381 0.000 0.831 809 E CB 2.778 32.375 29.700 -0.171 0.000 1.456 809 E HN 0.245 nan 8.360 nan 0.000 0.427 810 Y N -0.384 119.840 120.300 -0.126 0.000 2.331 810 Y HA 0.451 5.001 4.550 -0.001 0.000 0.334 810 Y C 0.594 176.455 175.900 -0.064 0.000 0.960 810 Y CA -0.645 57.394 58.100 -0.102 0.000 1.130 810 Y CB 2.030 40.472 38.460 -0.030 0.000 1.164 810 Y HN 0.641 nan 8.280 nan 0.000 0.458 811 G N 1.133 109.985 108.800 0.085 0.000 3.329 811 G HA2 0.545 4.505 3.960 -0.001 0.000 0.180 811 G HA3 0.545 4.505 3.960 -0.001 0.000 0.180 811 G C -0.817 174.125 174.900 0.070 0.000 1.640 811 G CA -0.373 44.752 45.100 0.042 0.000 1.018 811 G HN 0.666 nan 8.290 nan 0.000 0.581 812 S N -0.989 114.729 115.700 0.031 0.000 2.546 812 S HA 0.343 4.812 4.470 -0.001 0.000 0.303 812 S C -2.481 172.122 174.600 0.005 0.000 1.067 812 S CA -0.711 57.511 58.200 0.038 0.000 0.944 812 S CB 1.886 65.102 63.200 0.027 0.000 1.155 812 S HN 0.185 nan 8.310 nan 0.000 0.449 813 P HA -0.068 nan 4.420 nan 0.000 0.214 813 P C -0.207 177.090 177.300 -0.006 0.000 1.163 813 P CA 1.477 64.583 63.100 0.009 0.000 0.889 813 P CB 0.108 31.820 31.700 0.019 0.000 0.790 814 K N -0.721 119.673 120.400 -0.010 0.000 2.468 814 K HA 0.479 4.799 4.320 -0.001 0.000 0.252 814 K C -0.974 175.593 176.600 -0.054 0.000 0.932 814 K CA -0.607 55.661 56.287 -0.032 0.000 0.794 814 K CB 2.241 34.727 32.500 -0.024 0.000 1.241 814 K HN -0.100 nan 8.250 nan 0.000 0.428 815 L N 3.026 124.192 121.223 -0.096 0.000 2.298 815 L HA 0.352 4.692 4.340 -0.001 0.000 0.284 815 L C -0.225 176.545 176.870 -0.167 0.000 1.013 815 L CA -0.529 54.230 54.840 -0.135 0.000 0.824 815 L CB 1.415 43.364 42.059 -0.184 0.000 1.221 815 L HN 0.543 nan 8.230 nan 0.000 0.418 816 E N 3.838 123.919 120.200 -0.197 0.000 2.214 816 E HA 0.588 4.938 4.350 -0.001 0.000 0.274 816 E C -0.881 175.419 176.600 -0.501 0.000 0.977 816 E CA -0.799 55.380 56.400 -0.369 0.000 0.827 816 E CB 2.128 31.607 29.700 -0.370 0.000 1.130 816 E HN 0.447 nan 8.360 nan 0.000 0.394 817 R N 1.706 121.768 120.500 -0.730 0.000 2.725 817 R HA 0.441 4.780 4.340 -0.001 0.000 0.277 817 R C -1.407 174.293 176.300 -1.000 0.000 0.987 817 R CA -0.787 54.920 56.100 -0.655 0.000 0.901 817 R CB 1.551 31.648 30.300 -0.337 0.000 1.207 817 R HN 0.506 nan 8.270 nan 0.000 0.463 818 Y N 1.447 121.598 120.300 -0.247 0.000 2.322 818 Y HA 0.266 4.815 4.550 -0.001 0.000 0.324 818 Y C -0.221 175.616 175.900 -0.105 0.000 1.027 818 Y CA -1.120 56.839 58.100 -0.235 0.000 1.179 818 Y CB 1.666 39.912 38.460 -0.358 0.000 1.136 818 Y HN 0.635 nan 8.280 nan 0.000 0.449 819 N N 2.395 121.126 118.700 0.051 0.000 2.780 819 N HA -0.158 4.582 4.740 -0.001 0.000 0.247 819 N C 0.700 176.213 175.510 0.005 0.000 1.076 819 N CA 1.239 54.313 53.050 0.039 0.000 0.688 819 N CB -1.088 37.442 38.487 0.071 0.000 0.957 819 N HN 1.246 nan 8.380 nan 0.000 0.551 820 G N -1.901 106.881 108.800 -0.029 0.000 2.225 820 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.264 820 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.264 820 G C -0.258 174.622 174.900 -0.034 0.000 1.060 820 G CA 0.328 45.406 45.100 -0.036 0.000 0.833 820 G HN 0.742 nan 8.290 nan 0.000 0.498 821 V N -0.188 119.697 119.914 -0.048 0.000 2.924 821 V HA 0.477 4.597 4.120 -0.001 0.000 0.300 821 V C -2.400 173.653 176.094 -0.068 0.000 1.227 821 V CA -1.500 60.779 62.300 -0.034 0.000 0.954 821 V CB 2.867 34.694 31.823 0.007 0.000 1.055 821 V HN 0.088 nan 8.190 nan 0.000 0.429 822 P HA 0.527 nan 4.420 nan 0.000 0.267 822 P C -0.540 176.744 177.300 -0.027 0.000 1.205 822 P CA 0.395 63.455 63.100 -0.067 0.000 0.765 822 P CB 0.957 32.645 31.700 -0.020 0.000 0.828 823 A N 3.088 125.871 122.820 -0.061 0.000 2.524 823 A HA 0.881 5.200 4.320 -0.001 0.000 0.303 823 A C -1.663 175.949 177.584 0.047 0.000 1.195 823 A CA -0.461 51.608 52.037 0.054 0.000 0.651 823 A CB 1.145 20.282 19.000 0.228 0.000 1.323 823 A HN 0.430 nan 8.150 nan 0.000 0.479 824 M N 0.728 120.429 119.600 0.170 0.000 2.284 824 M HA 0.382 4.862 4.480 -0.001 0.000 0.281 824 M C -0.803 175.656 176.300 0.265 0.000 1.083 824 M CA -0.038 55.355 55.300 0.155 0.000 0.965 824 M CB 1.942 34.588 32.600 0.077 0.000 1.717 824 M HN 0.828 nan 8.290 nan 0.000 0.479 825 E N 3.986 124.380 120.200 0.322 0.000 2.392 825 E HA 0.467 4.817 4.350 -0.001 0.000 0.264 825 E C -1.251 175.420 176.600 0.118 0.000 1.024 825 E CA -0.086 56.560 56.400 0.409 0.000 0.903 825 E CB 0.770 30.745 29.700 0.458 0.000 0.963 825 E HN 0.713 nan 8.360 nan 0.000 0.432 826 I N 5.280 125.846 120.570 -0.006 0.000 2.586 826 I HA 0.264 4.433 4.170 -0.001 0.000 0.288 826 I C -1.531 174.460 176.117 -0.209 0.000 1.147 826 I CA -0.716 60.504 61.300 -0.133 0.000 1.047 826 I CB 0.736 38.585 38.000 -0.251 0.000 1.244 826 I HN 0.557 nan 8.210 nan 0.000 0.429 827 L N 6.525 127.570 121.223 -0.296 0.000 2.578 827 L HA 1.005 5.344 4.340 -0.001 0.000 0.259 827 L C 0.417 176.803 176.870 -0.807 0.000 1.082 827 L CA -0.872 53.632 54.840 -0.560 0.000 0.843 827 L CB 1.383 43.184 42.059 -0.431 0.000 1.535 827 L HN 0.821 nan 8.230 nan 0.000 0.510 828 G N -0.334 107.830 108.800 -1.060 0.000 2.378 828 G HA2 0.184 4.144 3.960 -0.001 0.000 0.302 828 G HA3 0.184 4.144 3.960 -0.001 0.000 0.302 828 G C -1.738 172.893 174.900 -0.449 0.000 1.669 828 G CA -0.741 43.931 45.100 -0.713 0.000 0.920 828 G HN 0.454 nan 8.290 nan 0.000 0.697 829 E N 0.865 121.057 120.200 -0.013 0.000 2.250 829 E HA 0.554 4.904 4.350 -0.001 0.000 0.265 829 E C -2.441 174.311 176.600 0.252 0.000 1.033 829 E CA -1.731 54.749 56.400 0.132 0.000 0.888 829 E CB 2.246 32.035 29.700 0.149 0.000 1.151 829 E HN 0.247 nan 8.360 nan 0.000 0.412 830 P HA 0.170 nan 4.420 nan 0.000 0.294 830 P C -1.121 176.257 177.300 0.129 0.000 1.294 830 P CA -0.404 62.803 63.100 0.177 0.000 0.827 830 P CB 1.132 32.909 31.700 0.130 0.000 0.992 831 A N 5.338 128.226 122.820 0.114 0.000 2.547 831 A HA 0.252 4.572 4.320 -0.001 0.000 0.233 831 A C -1.965 175.657 177.584 0.063 0.000 1.067 831 A CA -0.591 51.502 52.037 0.092 0.000 0.763 831 A CB -1.633 17.414 19.000 0.078 0.000 1.007 831 A HN 0.437 nan 8.150 nan 0.000 0.506 832 P HA 0.243 nan 4.420 nan 0.000 0.266 832 P C 1.216 178.526 177.300 0.016 0.000 1.193 832 P CA 1.721 64.842 63.100 0.034 0.000 0.770 832 P CB 0.536 32.263 31.700 0.045 0.000 0.836 833 G N 1.186 109.983 108.800 -0.004 0.000 2.812 833 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.219 833 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.219 833 G C 0.134 175.023 174.900 -0.019 0.000 1.275 833 G CA 0.074 45.167 45.100 -0.011 0.000 0.769 833 G HN 0.497 nan 8.290 nan 0.000 0.527 834 L N 1.491 122.710 121.223 -0.008 0.000 2.475 834 L HA 0.603 4.943 4.340 -0.001 0.000 0.250 834 L C 1.209 178.070 176.870 -0.014 0.000 1.224 834 L CA 0.149 54.982 54.840 -0.012 0.000 0.821 834 L CB 0.904 42.965 42.059 0.002 0.000 1.141 834 L HN 0.688 nan 8.230 nan 0.000 0.494 835 S N -1.857 113.832 115.700 -0.019 0.000 2.671 835 S HA 0.318 4.787 4.470 -0.001 0.000 0.299 835 S C 0.660 175.260 174.600 0.001 0.000 1.116 835 S CA -0.372 57.819 58.200 -0.016 0.000 0.912 835 S CB 1.686 64.861 63.200 -0.041 0.000 1.130 835 S HN 0.528 nan 8.310 nan 0.000 0.501 836 S N 1.260 116.970 115.700 0.017 0.000 2.381 836 S HA -0.121 4.348 4.470 -0.001 0.000 0.230 836 S C 1.990 176.567 174.600 -0.038 0.000 1.052 836 S CA 1.898 60.112 58.200 0.024 0.000 1.068 836 S CB -1.411 61.809 63.200 0.033 0.000 0.918 836 S HN 1.028 nan 8.310 nan 0.000 0.448 837 G N 2.118 110.884 108.800 -0.056 0.000 2.453 837 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.215 837 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.215 837 G C 1.034 175.891 174.900 -0.072 0.000 1.201 837 G CA 1.137 46.185 45.100 -0.086 0.000 0.784 837 G HN 0.395 nan 8.290 nan 0.000 0.545 838 D N 1.011 121.379 120.400 -0.054 0.000 2.172 838 D HA -0.124 4.516 4.640 -0.001 0.000 0.196 838 D C 2.759 179.037 176.300 -0.037 0.000 0.999 838 D CA 1.398 55.372 54.000 -0.044 0.000 0.856 838 D CB -0.447 40.332 40.800 -0.035 0.000 0.934 838 D HN 0.325 nan 8.370 nan 0.000 0.453 839 A N 0.604 123.407 122.820 -0.028 0.000 1.855 839 A HA -0.120 4.199 4.320 -0.001 0.000 0.215 839 A C 2.258 179.779 177.584 -0.105 0.000 1.191 839 A CA 1.345 53.362 52.037 -0.033 0.000 0.613 839 A CB -0.599 18.429 19.000 0.046 0.000 0.829 839 A HN 0.159 nan 8.150 nan 0.000 0.442 840 M N -0.224 119.306 119.600 -0.117 0.000 2.446 840 M HA -0.129 4.351 4.480 -0.001 0.000 0.263 840 M C 2.315 178.630 176.300 0.025 0.000 1.066 840 M CA 0.993 56.242 55.300 -0.085 0.000 1.087 840 M CB -0.439 31.946 32.600 -0.359 0.000 1.406 840 M HN 0.527 nan 8.290 nan 0.000 0.459 841 A N 0.721 123.524 122.820 -0.028 0.000 1.855 841 A HA -0.005 4.314 4.320 -0.001 0.000 0.215 841 A C 2.430 180.001 177.584 -0.021 0.000 1.191 841 A CA 1.780 53.809 52.037 -0.013 0.000 0.613 841 A CB -0.962 18.018 19.000 -0.032 0.000 0.829 841 A HN 0.452 nan 8.150 nan 0.000 0.442 842 A N -0.422 122.371 122.820 -0.044 0.000 1.865 842 A HA -0.085 4.235 4.320 -0.001 0.000 0.217 842 A C 2.239 179.764 177.584 -0.098 0.000 1.191 842 A CA 2.068 54.066 52.037 -0.065 0.000 0.623 842 A CB -1.273 17.694 19.000 -0.055 0.000 0.826 842 A HN 0.468 nan 8.150 nan 0.000 0.444 843 V N 0.234 120.086 119.914 -0.102 0.000 2.278 843 V HA -0.354 3.765 4.120 -0.001 0.000 0.251 843 V C 2.408 178.418 176.094 -0.140 0.000 1.062 843 V CA 2.512 64.743 62.300 -0.114 0.000 1.038 843 V CB -0.968 30.808 31.823 -0.079 0.000 0.646 843 V HN 0.662 nan 8.190 nan 0.000 0.447 844 E N -0.682 119.503 120.200 -0.026 0.000 2.219 844 E HA -0.257 4.092 4.350 -0.001 0.000 0.198 844 E C 2.186 178.701 176.600 -0.142 0.000 0.998 844 E CA 1.505 57.877 56.400 -0.046 0.000 0.818 844 E CB -0.055 29.708 29.700 0.105 0.000 0.741 844 E HN 0.728 nan 8.360 nan 0.000 0.477 845 E N 0.309 120.428 120.200 -0.135 0.000 2.099 845 E HA -0.033 4.316 4.350 -0.001 0.000 0.191 845 E C 2.039 178.519 176.600 -0.201 0.000 0.962 845 E CA 0.452 56.769 56.400 -0.139 0.000 0.826 845 E CB -0.062 29.579 29.700 -0.098 0.000 0.788 845 E HN 0.356 nan 8.360 nan 0.000 0.461 846 I N -0.881 119.530 120.570 -0.265 0.000 3.616 846 I HA 0.019 4.188 4.170 -0.001 0.000 0.306 846 I C 1.144 176.958 176.117 -0.504 0.000 1.232 846 I CA 0.236 61.313 61.300 -0.370 0.000 1.182 846 I CB 0.157 37.891 38.000 -0.444 0.000 1.007 846 I HN -0.167 nan 8.210 nan 0.000 0.479 847 V N 1.006 120.681 119.914 -0.398 0.000 3.431 847 V HA 0.038 4.158 4.120 -0.001 0.000 0.253 847 V C 2.255 178.191 176.094 -0.263 0.000 1.184 847 V CA 0.839 62.908 62.300 -0.385 0.000 1.104 847 V CB -0.082 31.367 31.823 -0.623 0.000 0.799 847 V HN 0.421 nan 8.190 nan 0.000 0.462 848 K N 0.290 120.561 120.400 -0.216 0.000 2.217 848 K HA -0.071 4.248 4.320 -0.001 0.000 0.202 848 K C 1.343 177.878 176.600 -0.109 0.000 1.051 848 K CA 0.805 57.011 56.287 -0.135 0.000 0.952 848 K CB -0.066 32.371 32.500 -0.105 0.000 0.736 848 K HN 0.501 nan 8.250 nan 0.000 0.453 849 Q N 1.070 120.789 119.800 -0.135 0.000 2.283 849 Q HA 0.114 4.454 4.340 -0.001 0.000 0.223 849 Q C -0.475 175.474 176.000 -0.086 0.000 0.918 849 Q CA 0.216 55.955 55.803 -0.107 0.000 0.952 849 Q CB -0.212 28.450 28.738 -0.126 0.000 1.030 849 Q HN 0.248 nan 8.270 nan 0.000 0.452 850 L N 0.429 121.610 121.223 -0.070 0.000 2.354 850 L HA 0.506 4.846 4.340 -0.001 0.000 0.269 850 L C -2.198 174.662 176.870 -0.017 0.000 1.005 850 L CA -2.679 52.143 54.840 -0.031 0.000 0.819 850 L CB 1.233 43.284 42.059 -0.012 0.000 1.311 850 L HN -0.073 nan 8.230 nan 0.000 0.423 851 P HA -0.054 nan 4.420 nan 0.000 0.263 851 P C -0.945 176.358 177.300 0.005 0.000 1.175 851 P CA 0.093 63.193 63.100 0.001 0.000 0.761 851 P CB 0.226 31.930 31.700 0.006 0.000 0.794 852 K N 2.578 122.980 120.400 0.004 0.000 2.054 852 K HA 0.297 4.617 4.320 -0.001 0.000 0.242 852 K C 1.011 177.620 176.600 0.015 0.000 1.157 852 K CA 0.434 56.726 56.287 0.008 0.000 1.079 852 K CB -0.719 31.785 32.500 0.005 0.000 1.331 852 K HN 0.797 nan 8.250 nan 0.000 0.317 853 G N 0.662 109.475 108.800 0.022 0.000 4.080 853 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.219 853 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.219 853 G C -0.228 174.695 174.900 0.037 0.000 0.843 853 G CA -0.613 44.504 45.100 0.027 0.000 0.856 853 G HN 0.262 nan 8.290 nan 0.000 0.616 854 V N 2.893 122.831 119.914 0.040 0.000 2.247 854 V HA 0.647 4.767 4.120 -0.001 0.000 0.262 854 V C 1.213 177.352 176.094 0.075 0.000 1.096 854 V CA 0.080 62.413 62.300 0.055 0.000 0.895 854 V CB 0.304 32.157 31.823 0.050 0.000 1.141 854 V HN 0.434 nan 8.190 nan 0.000 0.478 855 G N 3.229 112.087 108.800 0.097 0.000 2.508 855 G HA2 0.588 4.548 3.960 -0.001 0.000 0.278 855 G HA3 0.588 4.548 3.960 -0.001 0.000 0.278 855 G C -0.784 174.253 174.900 0.229 0.000 1.389 855 G CA -0.352 44.840 45.100 0.154 0.000 1.050 855 G HN 0.775 nan 8.290 nan 0.000 0.522 856 Y N -2.375 117.901 120.300 -0.040 0.000 2.670 856 Y HA 0.684 5.234 4.550 -0.001 0.000 0.334 856 Y C -0.599 175.208 175.900 -0.154 0.000 1.185 856 Y CA -0.726 57.310 58.100 -0.106 0.000 1.053 856 Y CB 1.571 39.922 38.460 -0.181 0.000 1.298 856 Y HN 1.019 nan 8.280 nan 0.000 0.459 857 S N -0.118 115.228 115.700 -0.590 0.000 2.543 857 S HA 0.467 4.936 4.470 -0.001 0.000 0.274 857 S C -1.927 172.276 174.600 -0.662 0.000 1.149 857 S CA -0.939 56.859 58.200 -0.670 0.000 0.866 857 S CB 0.523 63.566 63.200 -0.263 0.000 1.111 857 S HN 0.815 nan 8.310 nan 0.000 0.457 858 W N 1.321 122.392 121.300 -0.381 0.000 2.237 858 W HA 0.659 5.319 4.660 -0.001 0.000 0.335 858 W C 0.801 177.088 176.519 -0.387 0.000 1.230 858 W CA 0.065 57.208 57.345 -0.337 0.000 1.253 858 W CB 1.462 30.812 29.460 -0.184 0.000 1.129 858 W HN 0.754 nan 8.180 nan 0.000 0.590 859 T N 0.321 114.728 114.554 -0.245 0.000 2.868 859 T HA 0.524 4.873 4.350 -0.001 0.000 0.306 859 T C 0.464 175.087 174.700 -0.128 0.000 1.224 859 T CA 0.345 62.203 62.100 -0.404 0.000 1.012 859 T CB 1.187 69.513 68.868 -0.903 0.000 1.221 859 T HN 0.922 nan 8.240 nan 0.000 0.499 860 G N 1.540 110.370 108.800 0.049 0.000 2.602 860 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.310 860 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.310 860 G C 0.957 175.877 174.900 0.033 0.000 1.183 860 G CA 0.746 45.896 45.100 0.083 0.000 0.979 860 G HN 0.824 nan 8.290 nan 0.000 0.545 861 L N 1.805 123.000 121.223 -0.047 0.000 2.376 861 L HA 0.176 4.515 4.340 -0.001 0.000 0.219 861 L C 3.059 179.805 176.870 -0.207 0.000 1.133 861 L CA 2.346 57.110 54.840 -0.128 0.000 0.816 861 L CB -0.161 41.847 42.059 -0.084 0.000 0.933 861 L HN 0.769 nan 8.230 nan 0.000 0.449 862 S N -1.956 113.680 115.700 -0.107 0.000 2.439 862 S HA -0.197 4.272 4.470 -0.001 0.000 0.224 862 S C 2.001 176.469 174.600 -0.219 0.000 1.029 862 S CA 0.328 58.412 58.200 -0.195 0.000 0.946 862 S CB -0.749 62.437 63.200 -0.024 0.000 0.797 862 S HN 0.533 nan 8.310 nan 0.000 0.504 863 Y N 2.204 122.421 120.300 -0.137 0.000 2.256 863 Y HA -0.081 4.468 4.550 -0.001 0.000 0.288 863 Y C 2.342 178.141 175.900 -0.169 0.000 1.155 863 Y CA 1.975 60.031 58.100 -0.074 0.000 1.203 863 Y CB -0.238 38.275 38.460 0.088 0.000 0.980 863 Y HN 0.294 nan 8.280 nan 0.000 0.530 864 E N 0.374 120.508 120.200 -0.111 0.000 2.107 864 E HA -0.174 4.175 4.350 -0.001 0.000 0.191 864 E C 2.111 178.351 176.600 -0.599 0.000 0.982 864 E CA 1.336 57.536 56.400 -0.334 0.000 0.809 864 E CB -0.130 29.258 29.700 -0.520 0.000 0.756 864 E HN 0.661 nan 8.360 nan 0.000 0.459 865 E N -0.070 119.735 120.200 -0.658 0.000 2.072 865 E HA -0.134 4.215 4.350 -0.001 0.000 0.190 865 E C 2.060 178.496 176.600 -0.275 0.000 0.982 865 E CA 0.550 56.684 56.400 -0.444 0.000 0.803 865 E CB 0.058 29.544 29.700 -0.357 0.000 0.755 865 E HN 0.058 nan 8.360 nan 0.000 0.453 866 R N 0.177 120.454 120.500 -0.372 0.000 2.127 866 R HA -0.130 4.210 4.340 -0.001 0.000 0.238 866 R C 2.341 178.494 176.300 -0.244 0.000 1.134 866 R CA 0.716 56.621 56.100 -0.325 0.000 0.975 866 R CB -0.098 29.963 30.300 -0.398 0.000 0.865 866 R HN 0.273 nan 8.270 nan 0.000 0.447 867 L N 0.317 121.377 121.223 -0.273 0.000 1.976 867 L HA -0.184 4.156 4.340 -0.001 0.000 0.209 867 L C 2.532 179.375 176.870 -0.044 0.000 1.071 867 L CA 2.311 57.052 54.840 -0.166 0.000 0.746 867 L CB -1.240 40.735 42.059 -0.140 0.000 0.890 867 L HN 0.288 nan 8.230 nan 0.000 0.432 868 S N -0.700 115.005 115.700 0.009 0.000 2.399 868 S HA -0.117 4.353 4.470 -0.001 0.000 0.231 868 S C 2.035 176.663 174.600 0.046 0.000 1.022 868 S CA 1.096 59.334 58.200 0.063 0.000 0.983 868 S CB -0.862 62.439 63.200 0.168 0.000 0.803 868 S HN 0.450 nan 8.310 nan 0.000 0.480 869 G N 1.727 110.543 108.800 0.026 0.000 2.421 869 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.216 869 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.216 869 G C 1.462 176.378 174.900 0.026 0.000 1.171 869 G CA 0.991 46.109 45.100 0.030 0.000 0.775 869 G HN 0.900 nan 8.290 nan 0.000 0.543 870 S N -0.620 115.078 115.700 -0.004 0.000 2.768 870 S HA 0.308 4.777 4.470 -0.001 0.000 0.246 870 S C 1.293 175.915 174.600 0.038 0.000 1.006 870 S CA 0.151 58.356 58.200 0.008 0.000 1.075 870 S CB 0.337 63.525 63.200 -0.019 0.000 0.786 870 S HN 0.536 nan 8.310 nan 0.000 0.468 871 Q N -0.569 119.251 119.800 0.033 0.000 2.445 871 Q HA 0.342 4.681 4.340 -0.001 0.000 0.257 871 Q C 2.257 178.197 176.000 -0.101 0.000 0.806 871 Q CA 0.491 56.325 55.803 0.052 0.000 0.987 871 Q CB -0.211 28.576 28.738 0.082 0.000 1.248 871 Q HN 0.588 nan 8.270 nan 0.000 0.542 872 A N 2.517 125.243 122.820 -0.156 0.000 1.909 872 A HA -0.227 4.092 4.320 -0.001 0.000 0.221 872 A C -0.702 176.660 177.584 -0.371 0.000 1.223 872 A CA 2.142 53.947 52.037 -0.387 0.000 0.658 872 A CB -1.666 17.324 19.000 -0.017 0.000 0.831 872 A HN 0.223 nan 8.150 nan 0.000 0.462 873 P HA -0.173 nan 4.420 nan 0.000 0.212 873 P C 1.895 179.203 177.300 0.015 0.000 1.178 873 P CA 2.202 65.332 63.100 0.050 0.000 0.915 873 P CB -0.304 31.423 31.700 0.045 0.000 0.788 874 A N -0.288 122.560 122.820 0.047 0.000 1.903 874 A HA -0.236 4.084 4.320 -0.001 0.000 0.219 874 A C 2.253 179.928 177.584 0.150 0.000 1.191 874 A CA 1.675 53.793 52.037 0.136 0.000 0.638 874 A CB -1.791 17.360 19.000 0.252 0.000 0.823 874 A HN 0.118 nan 8.150 nan 0.000 0.451 875 L N -1.428 119.738 121.223 -0.094 0.000 1.934 875 L HA -0.295 4.045 4.340 -0.001 0.000 0.227 875 L C 2.650 179.360 176.870 -0.268 0.000 1.084 875 L CA 2.724 57.272 54.840 -0.487 0.000 0.790 875 L CB -0.974 40.475 42.059 -1.016 0.000 0.896 875 L HN 0.627 nan 8.230 nan 0.000 0.437 876 Y N -0.168 120.046 120.300 -0.144 0.000 2.139 876 Y HA -0.353 4.196 4.550 -0.001 0.000 0.282 876 Y C 2.584 178.426 175.900 -0.096 0.000 1.179 876 Y CA 1.048 59.067 58.100 -0.135 0.000 1.161 876 Y CB -0.900 37.487 38.460 -0.122 0.000 0.970 876 Y HN 0.443 nan 8.280 nan 0.000 0.511 877 A N 1.096 123.965 122.820 0.081 0.000 1.849 877 A HA -0.235 4.084 4.320 -0.001 0.000 0.216 877 A C 2.204 179.801 177.584 0.021 0.000 1.225 877 A CA 2.102 54.158 52.037 0.032 0.000 0.653 877 A CB -1.261 17.757 19.000 0.029 0.000 0.844 877 A HN 0.451 nan 8.150 nan 0.000 0.453 878 L N 0.388 121.636 121.223 0.043 0.000 2.089 878 L HA -0.267 4.073 4.340 -0.001 0.000 0.213 878 L C 2.897 179.777 176.870 0.015 0.000 1.079 878 L CA 2.061 56.923 54.840 0.036 0.000 0.758 878 L CB -1.071 41.034 42.059 0.077 0.000 0.891 878 L HN 0.657 nan 8.230 nan 0.000 0.433 879 S N -0.013 115.687 115.700 -0.000 0.000 2.371 879 S HA -0.114 4.356 4.470 -0.001 0.000 0.224 879 S C 1.974 176.556 174.600 -0.031 0.000 1.029 879 S CA 0.715 58.891 58.200 -0.040 0.000 0.978 879 S CB -0.607 62.530 63.200 -0.105 0.000 0.833 879 S HN 0.304 nan 8.310 nan 0.000 0.466 880 L N 1.204 122.415 121.223 -0.021 0.000 1.989 880 L HA -0.080 4.259 4.340 -0.001 0.000 0.211 880 L C 2.721 179.606 176.870 0.025 0.000 1.071 880 L CA 1.221 56.049 54.840 -0.020 0.000 0.749 880 L CB -0.622 41.406 42.059 -0.051 0.000 0.890 880 L HN 0.309 nan 8.230 nan 0.000 0.431 881 L N -0.389 120.845 121.223 0.018 0.000 2.043 881 L HA -0.253 4.087 4.340 -0.001 0.000 0.212 881 L C 2.525 179.464 176.870 0.115 0.000 1.075 881 L CA 1.752 56.629 54.840 0.061 0.000 0.752 881 L CB -0.234 41.843 42.059 0.029 0.000 0.891 881 L HN 0.102 nan 8.230 nan 0.000 0.432 882 V N -0.695 119.251 119.914 0.053 0.000 2.307 882 V HA -0.250 3.869 4.120 -0.001 0.000 0.245 882 V C 2.608 178.729 176.094 0.044 0.000 1.045 882 V CA 1.456 63.778 62.300 0.035 0.000 1.024 882 V CB -0.089 31.730 31.823 -0.006 0.000 0.651 882 V HN 0.273 nan 8.190 nan 0.000 0.449 883 V N -0.494 119.443 119.914 0.038 0.000 2.392 883 V HA -0.292 3.827 4.120 -0.001 0.000 0.249 883 V C 2.120 178.256 176.094 0.070 0.000 1.059 883 V CA 2.501 64.817 62.300 0.028 0.000 1.051 883 V CB -0.748 31.079 31.823 0.007 0.000 0.658 883 V HN 0.601 nan 8.190 nan 0.000 0.455 884 F N 0.437 120.377 119.950 -0.016 0.000 2.075 884 F HA -0.158 4.368 4.527 -0.001 0.000 0.297 884 F C 2.065 177.882 175.800 0.028 0.000 1.113 884 F CA 1.763 59.777 58.000 0.022 0.000 1.218 884 F CB -0.315 38.712 39.000 0.046 0.000 0.984 884 F HN 0.025 nan 8.300 nan 0.000 0.472 885 L N -0.649 120.627 121.223 0.088 0.000 1.989 885 L HA -0.317 4.022 4.340 -0.001 0.000 0.211 885 L C 2.691 179.464 176.870 -0.162 0.000 1.071 885 L CA 1.572 56.385 54.840 -0.044 0.000 0.749 885 L CB -1.352 40.746 42.059 0.066 0.000 0.890 885 L HN 0.281 nan 8.230 nan 0.000 0.431 886 C N -0.194 119.040 119.300 -0.111 0.000 2.429 886 C HA -0.147 4.313 4.460 -0.001 0.000 0.277 886 C C 2.833 177.685 174.990 -0.230 0.000 1.262 886 C CA 0.499 59.429 59.018 -0.148 0.000 1.733 886 C CB -0.767 26.912 27.740 -0.103 0.000 2.010 886 C HN 0.428 nan 8.230 nan 0.000 0.483 887 L N 0.584 121.680 121.223 -0.212 0.000 2.083 887 L HA -0.163 4.177 4.340 -0.001 0.000 0.209 887 L C 2.825 179.527 176.870 -0.280 0.000 1.083 887 L CA 1.515 56.221 54.840 -0.224 0.000 0.752 887 L CB -0.713 41.297 42.059 -0.082 0.000 0.899 887 L HN 0.379 nan 8.230 nan 0.000 0.433 888 A N 0.047 122.628 122.820 -0.397 0.000 1.845 888 A HA -0.189 4.131 4.320 -0.001 0.000 0.215 888 A C 2.522 179.839 177.584 -0.446 0.000 1.195 888 A CA 1.769 53.479 52.037 -0.545 0.000 0.616 888 A CB -0.843 17.665 19.000 -0.820 0.000 0.832 888 A HN 0.396 nan 8.150 nan 0.000 0.443 889 A N -0.526 122.075 122.820 -0.365 0.000 1.908 889 A HA -0.098 4.221 4.320 -0.001 0.000 0.218 889 A C 2.239 179.666 177.584 -0.262 0.000 1.181 889 A CA 1.593 53.464 52.037 -0.276 0.000 0.627 889 A CB -0.659 18.220 19.000 -0.202 0.000 0.818 889 A HN 0.529 nan 8.150 nan 0.000 0.445 890 L N -1.775 119.245 121.223 -0.337 0.000 1.994 890 L HA -0.152 4.188 4.340 -0.001 0.000 0.208 890 L C 1.417 178.045 176.870 -0.402 0.000 1.071 890 L CA 1.723 56.291 54.840 -0.454 0.000 0.745 890 L CB -0.262 41.350 42.059 -0.746 0.000 0.892 890 L HN 0.608 nan 8.230 nan 0.000 0.431 891 Y N -0.503 119.716 120.300 -0.135 0.000 2.756 891 Y HA 0.121 4.671 4.550 -0.001 0.000 0.300 891 Y C 0.379 176.197 175.900 -0.137 0.000 1.113 891 Y CA -0.690 57.343 58.100 -0.110 0.000 1.291 891 Y CB 0.114 38.523 38.460 -0.086 0.000 1.175 891 Y HN 0.208 nan 8.280 nan 0.000 0.534 892 E N 1.745 121.900 120.200 -0.076 0.000 2.038 892 E HA -0.267 4.082 4.350 -0.001 0.000 0.181 892 E C -0.598 175.904 176.600 -0.163 0.000 1.383 892 E CA 0.865 57.180 56.400 -0.142 0.000 0.677 892 E CB -0.985 28.671 29.700 -0.073 0.000 1.051 892 E HN 0.334 nan 8.360 nan 0.000 0.317 893 S N 0.031 115.567 115.700 -0.274 0.000 2.570 893 S HA 0.625 5.094 4.470 -0.001 0.000 0.270 893 S C -0.481 173.881 174.600 -0.396 0.000 1.149 893 S CA -0.357 57.716 58.200 -0.212 0.000 0.837 893 S CB 0.502 63.693 63.200 -0.015 0.000 1.124 893 S HN 0.337 nan 8.310 nan 0.000 0.465 894 W N 1.275 122.585 121.300 0.018 0.000 2.975 894 W HA 0.248 4.908 4.660 -0.001 0.000 0.316 894 W C 2.118 178.707 176.519 0.116 0.000 1.131 894 W CA 0.036 57.405 57.345 0.039 0.000 1.624 894 W CB 0.249 29.741 29.460 0.053 0.000 1.038 894 W HN 0.638 nan 8.180 nan 0.000 0.571 895 S N 1.423 117.283 115.700 0.265 0.000 2.335 895 S HA -0.162 4.307 4.470 -0.001 0.000 0.217 895 S C 1.853 176.617 174.600 0.273 0.000 1.032 895 S CA 1.485 59.819 58.200 0.224 0.000 0.985 895 S CB -0.733 62.542 63.200 0.125 0.000 0.896 895 S HN 0.393 nan 8.310 nan 0.000 0.445 896 I N 0.475 121.181 120.570 0.227 0.000 2.617 896 I HA 0.102 4.272 4.170 -0.001 0.000 0.256 896 I C -1.453 174.777 176.117 0.187 0.000 1.167 896 I CA 0.299 61.729 61.300 0.217 0.000 1.469 896 I CB -1.589 36.488 38.000 0.128 0.000 1.098 896 I HN 0.115 nan 8.210 nan 0.000 0.436 897 P HA -0.180 nan 4.420 nan 0.000 0.213 897 P C 1.814 179.314 177.300 0.333 0.000 1.170 897 P CA 1.658 64.822 63.100 0.107 0.000 0.898 897 P CB -0.229 31.301 31.700 -0.284 0.000 0.787 898 F N 0.619 120.782 119.950 0.356 0.000 2.250 898 F HA -0.199 4.328 4.527 -0.001 0.000 0.301 898 F C 2.255 178.162 175.800 0.179 0.000 1.077 898 F CA 1.878 60.098 58.000 0.366 0.000 1.348 898 F CB -0.444 38.761 39.000 0.343 0.000 1.040 898 F HN -0.030 nan 8.300 nan 0.000 0.509 899 S N -1.678 114.210 115.700 0.314 0.000 2.425 899 S HA -0.076 4.393 4.470 -0.001 0.000 0.225 899 S C 2.029 176.646 174.600 0.029 0.000 1.024 899 S CA 0.910 59.227 58.200 0.194 0.000 0.951 899 S CB -0.841 62.544 63.200 0.308 0.000 0.796 899 S HN 0.124 nan 8.310 nan 0.000 0.498 900 V N 2.682 122.636 119.914 0.067 0.000 2.261 900 V HA -0.176 3.943 4.120 -0.001 0.000 0.246 900 V C 2.773 178.826 176.094 -0.068 0.000 1.047 900 V CA 2.028 64.335 62.300 0.012 0.000 1.015 900 V CB -0.724 31.132 31.823 0.054 0.000 0.642 900 V HN 0.462 nan 8.190 nan 0.000 0.446 901 M N -0.570 118.989 119.600 -0.068 0.000 2.088 901 M HA -0.239 4.240 4.480 -0.001 0.000 0.256 901 M C 2.227 178.391 176.300 -0.227 0.000 1.071 901 M CA 2.046 57.255 55.300 -0.152 0.000 1.097 901 M CB -1.315 31.133 32.600 -0.253 0.000 1.315 901 M HN 0.294 nan 8.290 nan 0.000 0.406 902 L N -0.786 120.231 121.223 -0.343 0.000 2.349 902 L HA -0.161 4.178 4.340 -0.001 0.000 0.220 902 L C 2.437 179.020 176.870 -0.477 0.000 1.130 902 L CA 0.336 54.877 54.840 -0.498 0.000 0.791 902 L CB -0.720 40.721 42.059 -1.030 0.000 0.918 902 L HN 0.090 nan 8.230 nan 0.000 0.444 903 V N -1.058 118.647 119.914 -0.348 0.000 2.591 903 V HA -0.169 3.951 4.120 -0.001 0.000 0.249 903 V C 2.379 178.430 176.094 -0.071 0.000 1.053 903 V CA 0.868 63.080 62.300 -0.148 0.000 1.068 903 V CB 0.466 32.250 31.823 -0.064 0.000 0.689 903 V HN 0.158 nan 8.190 nan 0.000 0.462 904 V N 0.817 120.673 119.914 -0.097 0.000 2.233 904 V HA -0.253 3.866 4.120 -0.001 0.000 0.252 904 V C 0.106 176.149 176.094 -0.085 0.000 1.063 904 V CA 2.953 65.197 62.300 -0.093 0.000 1.032 904 V CB -1.996 29.758 31.823 -0.115 0.000 0.645 904 V HN 0.507 nan 8.190 nan 0.000 0.446 905 P HA -0.150 nan 4.420 nan 0.000 0.220 905 P C 1.807 179.056 177.300 -0.085 0.000 1.144 905 P CA 1.352 64.391 63.100 -0.102 0.000 0.800 905 P CB -0.096 31.517 31.700 -0.145 0.000 0.772 906 L N -1.228 119.966 121.223 -0.048 0.000 1.994 906 L HA -0.106 4.234 4.340 -0.001 0.000 0.208 906 L C 2.601 179.457 176.870 -0.025 0.000 1.071 906 L CA 2.075 56.892 54.840 -0.039 0.000 0.745 906 L CB -1.619 40.446 42.059 0.009 0.000 0.892 906 L HN 0.079 nan 8.230 nan 0.000 0.431 907 G N -1.029 107.756 108.800 -0.024 0.000 2.509 907 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.218 907 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.218 907 G C 1.528 176.410 174.900 -0.030 0.000 1.124 907 G CA 0.543 45.631 45.100 -0.021 0.000 0.776 907 G HN 0.197 nan 8.290 nan 0.000 0.547 908 V N 2.008 121.894 119.914 -0.047 0.000 2.407 908 V HA -0.117 4.002 4.120 -0.001 0.000 0.245 908 V C 2.755 178.856 176.094 0.011 0.000 1.041 908 V CA 1.542 63.816 62.300 -0.043 0.000 1.040 908 V CB -0.425 31.357 31.823 -0.069 0.000 0.671 908 V HN 0.609 nan 8.190 nan 0.000 0.455 909 I N -0.138 120.437 120.570 0.008 0.000 2.454 909 I HA -0.029 4.140 4.170 -0.001 0.000 0.254 909 I C 2.227 178.373 176.117 0.047 0.000 1.156 909 I CA 1.865 63.186 61.300 0.035 0.000 1.433 909 I CB -1.006 37.000 38.000 0.009 0.000 1.082 909 I HN 0.213 nan 8.210 nan 0.000 0.432 910 G N 0.692 109.514 108.800 0.037 0.000 2.448 910 G HA2 0.045 4.005 3.960 -0.001 0.000 0.218 910 G HA3 0.045 4.005 3.960 -0.001 0.000 0.218 910 G C 1.716 176.656 174.900 0.066 0.000 1.135 910 G CA 0.601 45.731 45.100 0.051 0.000 0.784 910 G HN 0.571 nan 8.290 nan 0.000 0.543 911 A N 0.127 122.986 122.820 0.065 0.000 2.072 911 A HA 0.354 4.674 4.320 -0.001 0.000 0.216 911 A C 2.283 179.995 177.584 0.213 0.000 1.156 911 A CA 0.456 52.551 52.037 0.097 0.000 0.701 911 A CB -0.111 18.889 19.000 0.000 0.000 0.816 911 A HN 0.326 nan 8.150 nan 0.000 0.458 912 L N -0.961 120.366 121.223 0.174 0.000 2.084 912 L HA -0.025 4.314 4.340 -0.001 0.000 0.202 912 L C 2.448 179.364 176.870 0.077 0.000 1.074 912 L CA 0.692 55.629 54.840 0.160 0.000 0.757 912 L CB -0.801 41.337 42.059 0.132 0.000 0.918 912 L HN 0.298 nan 8.230 nan 0.000 0.444 913 L N 0.436 121.703 121.223 0.073 0.000 2.013 913 L HA -0.250 4.090 4.340 -0.001 0.000 0.212 913 L C 2.930 179.825 176.870 0.041 0.000 1.073 913 L CA 1.560 56.432 54.840 0.053 0.000 0.753 913 L CB -0.748 41.344 42.059 0.055 0.000 0.890 913 L HN 0.266 nan 8.230 nan 0.000 0.432 914 A N -0.853 122.000 122.820 0.055 0.000 1.902 914 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 914 A C 2.365 179.967 177.584 0.030 0.000 1.181 914 A CA 2.367 54.430 52.037 0.044 0.000 0.623 914 A CB -1.003 18.031 19.000 0.057 0.000 0.818 914 A HN 0.403 nan 8.150 nan 0.000 0.443 915 T N 0.306 114.889 114.554 0.048 0.000 2.665 915 T HA -0.149 4.201 4.350 -0.001 0.000 0.268 915 T C 2.291 176.950 174.700 -0.068 0.000 1.035 915 T CA 1.947 64.040 62.100 -0.012 0.000 1.151 915 T CB -0.367 68.454 68.868 -0.077 0.000 0.862 915 T HN 0.538 nan 8.240 nan 0.000 0.438 916 S N 1.195 116.857 115.700 -0.063 0.000 2.356 916 S HA 0.005 4.474 4.470 -0.001 0.000 0.223 916 S C 2.114 176.695 174.600 -0.031 0.000 1.032 916 S CA 1.086 59.249 58.200 -0.061 0.000 1.005 916 S CB -0.414 62.762 63.200 -0.040 0.000 0.867 916 S HN 0.404 nan 8.310 nan 0.000 0.449 917 M N 0.445 120.038 119.600 -0.011 0.000 2.260 917 M HA -0.093 4.387 4.480 -0.001 0.000 0.261 917 M C 2.085 178.377 176.300 -0.013 0.000 1.066 917 M CA 1.225 56.523 55.300 -0.004 0.000 1.082 917 M CB -0.198 32.407 32.600 0.007 0.000 1.388 917 M HN 0.125 nan 8.290 nan 0.000 0.419 918 R N -0.141 120.346 120.500 -0.022 0.000 2.468 918 R HA 0.156 4.496 4.340 -0.001 0.000 0.280 918 R C 0.435 176.716 176.300 -0.033 0.000 0.963 918 R CA 0.275 56.358 56.100 -0.028 0.000 1.083 918 R CB 0.271 30.549 30.300 -0.037 0.000 1.200 918 R HN 0.413 nan 8.270 nan 0.000 0.541 919 G N 2.108 110.882 108.800 -0.042 0.000 2.366 919 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.299 919 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.299 919 G C 0.033 174.894 174.900 -0.065 0.000 1.020 919 G CA 0.549 45.617 45.100 -0.053 0.000 1.026 919 G HN 0.242 nan 8.290 nan 0.000 0.512 920 L N -0.610 120.563 121.223 -0.084 0.000 2.891 920 L HA 0.764 5.104 4.340 -0.001 0.000 0.216 920 L C 1.200 177.971 176.870 -0.165 0.000 1.209 920 L CA -0.137 54.645 54.840 -0.096 0.000 0.957 920 L CB 0.900 42.915 42.059 -0.073 0.000 1.876 920 L HN 0.508 nan 8.230 nan 0.000 0.532 921 S N -1.550 114.033 115.700 -0.194 0.000 2.651 921 S HA 0.305 4.775 4.470 -0.001 0.000 0.279 921 S C -0.817 173.551 174.600 -0.387 0.000 1.148 921 S CA -0.866 57.179 58.200 -0.258 0.000 0.837 921 S CB 1.601 64.719 63.200 -0.138 0.000 1.138 921 S HN 0.469 nan 8.310 nan 0.000 0.478 922 N N 2.289 120.738 118.700 -0.419 0.000 2.807 922 N HA 0.258 4.997 4.740 -0.001 0.000 0.259 922 N C -1.088 174.421 175.510 -0.001 0.000 1.149 922 N CA -0.246 52.577 53.050 -0.378 0.000 1.042 922 N CB -0.559 37.686 38.487 -0.404 0.000 1.367 922 N HN 0.748 nan 8.380 nan 0.000 0.516 923 D N -0.749 119.723 120.400 0.119 0.000 2.592 923 D HA 0.113 4.752 4.640 -0.001 0.000 0.259 923 D C 1.639 178.034 176.300 0.159 0.000 1.144 923 D CA -0.707 53.374 54.000 0.135 0.000 1.080 923 D CB 0.093 40.965 40.800 0.119 0.000 1.225 923 D HN -0.019 nan 8.370 nan 0.000 0.619 924 V N -2.237 117.676 119.914 -0.001 0.000 2.453 924 V HA -0.189 3.930 4.120 -0.001 0.000 0.252 924 V C 1.902 177.940 176.094 -0.093 0.000 1.068 924 V CA 1.330 63.559 62.300 -0.119 0.000 1.070 924 V CB -1.248 30.310 31.823 -0.442 0.000 0.664 924 V HN 0.462 nan 8.190 nan 0.000 0.461 925 F N -0.288 119.687 119.950 0.042 0.000 2.293 925 F HA 0.126 4.652 4.527 -0.001 0.000 0.297 925 F C 2.095 177.940 175.800 0.075 0.000 1.089 925 F CA 1.739 59.777 58.000 0.063 0.000 1.377 925 F CB -0.562 38.497 39.000 0.098 0.000 1.051 925 F HN 0.220 nan 8.300 nan 0.000 0.511 926 F N 1.201 121.237 119.950 0.144 0.000 2.234 926 F HA -0.181 4.346 4.527 -0.001 0.000 0.299 926 F C 2.189 178.022 175.800 0.055 0.000 1.087 926 F CA 1.496 59.535 58.000 0.066 0.000 1.340 926 F CB -0.511 38.501 39.000 0.019 0.000 1.031 926 F HN -0.015 nan 8.300 nan 0.000 0.500 927 Q N -0.396 119.432 119.800 0.047 0.000 2.020 927 Q HA -0.122 4.218 4.340 -0.001 0.000 0.198 927 Q C 2.292 178.224 176.000 -0.114 0.000 0.974 927 Q CA 1.765 57.571 55.803 0.004 0.000 0.829 927 Q CB -0.561 28.239 28.738 0.103 0.000 0.894 927 Q HN 0.294 nan 8.270 nan 0.000 0.433 928 V N 1.087 120.917 119.914 -0.141 0.000 2.453 928 V HA -0.263 3.856 4.120 -0.001 0.000 0.252 928 V C 2.116 178.091 176.094 -0.198 0.000 1.068 928 V CA 1.960 64.093 62.300 -0.277 0.000 1.070 928 V CB -1.272 30.193 31.823 -0.597 0.000 0.664 928 V HN 0.545 nan 8.190 nan 0.000 0.461 929 G N -0.504 108.196 108.800 -0.167 0.000 2.424 929 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.214 929 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.214 929 G C 1.561 176.321 174.900 -0.234 0.000 1.202 929 G CA 0.694 45.704 45.100 -0.151 0.000 0.793 929 G HN 0.428 nan 8.290 nan 0.000 0.534 930 L N 0.150 121.134 121.223 -0.398 0.000 2.051 930 L HA -0.130 4.209 4.340 -0.001 0.000 0.214 930 L C 2.990 179.719 176.870 -0.235 0.000 1.076 930 L CA 0.824 55.441 54.840 -0.370 0.000 0.758 930 L CB -0.392 41.398 42.059 -0.448 0.000 0.890 930 L HN 0.217 nan 8.230 nan 0.000 0.433 931 L N -0.849 120.255 121.223 -0.198 0.000 1.955 931 L HA -0.288 4.052 4.340 -0.001 0.000 0.213 931 L C 2.731 179.388 176.870 -0.355 0.000 1.072 931 L CA 2.343 57.002 54.840 -0.302 0.000 0.755 931 L CB -1.105 40.678 42.059 -0.460 0.000 0.888 931 L HN 0.361 nan 8.230 nan 0.000 0.432 932 T N -1.514 112.891 114.554 -0.250 0.000 2.822 932 T HA -0.199 4.150 4.350 -0.001 0.000 0.270 932 T C 1.729 176.378 174.700 -0.084 0.000 1.064 932 T CA 2.103 64.184 62.100 -0.032 0.000 1.131 932 T CB -0.159 68.879 68.868 0.284 0.000 0.858 932 T HN 0.336 nan 8.240 nan 0.000 0.483 933 T N 2.496 116.981 114.554 -0.114 0.000 2.643 933 T HA -0.013 4.336 4.350 -0.001 0.000 0.264 933 T C 1.844 176.465 174.700 -0.132 0.000 1.045 933 T CA 1.622 63.654 62.100 -0.113 0.000 1.155 933 T CB -0.514 68.283 68.868 -0.118 0.000 0.863 933 T HN 0.724 nan 8.240 nan 0.000 0.420 934 I N 0.206 120.682 120.570 -0.158 0.000 2.399 934 I HA -0.074 4.096 4.170 -0.001 0.000 0.254 934 I C 2.335 178.374 176.117 -0.130 0.000 1.146 934 I CA 1.791 63.006 61.300 -0.142 0.000 1.412 934 I CB -0.710 37.199 38.000 -0.151 0.000 1.076 934 I HN 0.246 nan 8.210 nan 0.000 0.432 935 G N 1.722 110.430 108.800 -0.153 0.000 2.394 935 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.214 935 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.214 935 G C 1.636 176.472 174.900 -0.107 0.000 1.176 935 G CA 0.728 45.758 45.100 -0.116 0.000 0.786 935 G HN 0.430 nan 8.290 nan 0.000 0.533 936 L N 1.599 122.734 121.223 -0.146 0.000 2.042 936 L HA -0.147 4.193 4.340 -0.001 0.000 0.210 936 L C 3.375 180.169 176.870 -0.126 0.000 1.076 936 L CA 1.646 56.368 54.840 -0.195 0.000 0.749 936 L CB -0.479 41.419 42.059 -0.268 0.000 0.893 936 L HN 0.406 nan 8.230 nan 0.000 0.432 937 S N 0.136 115.780 115.700 -0.094 0.000 2.345 937 S HA -0.173 4.296 4.470 -0.001 0.000 0.220 937 S C 2.230 176.803 174.600 -0.045 0.000 1.031 937 S CA 0.814 58.979 58.200 -0.059 0.000 0.996 937 S CB -0.763 62.405 63.200 -0.054 0.000 0.882 937 S HN 0.360 nan 8.310 nan 0.000 0.445 938 A N 2.918 125.708 122.820 -0.050 0.000 1.948 938 A HA -0.174 4.146 4.320 -0.001 0.000 0.220 938 A C 2.185 179.756 177.584 -0.022 0.000 1.177 938 A CA 1.938 53.958 52.037 -0.028 0.000 0.636 938 A CB -0.808 18.177 19.000 -0.024 0.000 0.815 938 A HN 0.469 nan 8.150 nan 0.000 0.449 939 K N -0.011 120.363 120.400 -0.043 0.000 2.001 939 K HA -0.247 4.073 4.320 -0.001 0.000 0.214 939 K C 1.764 178.336 176.600 -0.046 0.000 1.050 939 K CA 2.136 58.395 56.287 -0.047 0.000 0.934 939 K CB -0.556 31.895 32.500 -0.082 0.000 0.718 939 K HN 0.435 nan 8.250 nan 0.000 0.443 940 N N 0.708 119.375 118.700 -0.054 0.000 2.061 940 N HA -0.174 4.566 4.740 -0.001 0.000 0.193 940 N C 1.737 177.232 175.510 -0.026 0.000 1.030 940 N CA 1.773 54.796 53.050 -0.045 0.000 0.856 940 N CB -0.611 37.855 38.487 -0.035 0.000 1.023 940 N HN 0.363 nan 8.380 nan 0.000 0.424 941 A N 1.478 124.294 122.820 -0.007 0.000 1.873 941 A HA -0.152 4.168 4.320 -0.001 0.000 0.218 941 A C 2.247 179.824 177.584 -0.012 0.000 1.193 941 A CA 1.727 53.771 52.037 0.011 0.000 0.629 941 A CB -0.918 18.093 19.000 0.018 0.000 0.826 941 A HN 0.516 nan 8.150 nan 0.000 0.447 942 I N -2.539 118.024 120.570 -0.011 0.000 2.676 942 I HA -0.094 4.076 4.170 -0.001 0.000 0.259 942 I C 2.013 178.091 176.117 -0.065 0.000 1.194 942 I CA 1.101 62.384 61.300 -0.028 0.000 1.473 942 I CB -0.243 37.791 38.000 0.058 0.000 1.096 942 I HN 0.259 nan 8.210 nan 0.000 0.443 943 L N 1.305 122.494 121.223 -0.057 0.000 2.079 943 L HA -0.179 4.160 4.340 -0.001 0.000 0.210 943 L C 2.675 179.486 176.870 -0.098 0.000 1.081 943 L CA 2.091 56.880 54.840 -0.085 0.000 0.752 943 L CB -0.306 41.694 42.059 -0.099 0.000 0.896 943 L HN 0.541 nan 8.230 nan 0.000 0.433 944 I N -4.920 115.605 120.570 -0.076 0.000 2.927 944 I HA -0.044 4.125 4.170 -0.001 0.000 0.268 944 I C 2.196 178.243 176.117 -0.117 0.000 1.153 944 I CA 0.499 61.764 61.300 -0.058 0.000 1.459 944 I CB -0.061 37.924 38.000 -0.025 0.000 1.149 944 I HN -0.212 nan 8.210 nan 0.000 0.443 945 V N 2.805 122.612 119.914 -0.179 0.000 2.307 945 V HA -0.240 3.879 4.120 -0.001 0.000 0.245 945 V C 2.727 178.551 176.094 -0.450 0.000 1.045 945 V CA 2.529 64.604 62.300 -0.375 0.000 1.024 945 V CB -0.772 30.924 31.823 -0.212 0.000 0.651 945 V HN 0.724 nan 8.190 nan 0.000 0.449 946 E N -0.471 119.528 120.200 -0.336 0.000 2.347 946 E HA -0.200 4.150 4.350 -0.001 0.000 0.196 946 E C 1.841 178.316 176.600 -0.209 0.000 1.008 946 E CA 1.267 57.417 56.400 -0.417 0.000 0.852 946 E CB -0.514 28.754 29.700 -0.720 0.000 0.783 946 E HN 0.513 nan 8.360 nan 0.000 0.505 947 F N 1.109 120.895 119.950 -0.273 0.000 2.187 947 F HA 0.263 4.789 4.527 -0.001 0.000 0.295 947 F C 2.297 177.995 175.800 -0.170 0.000 1.091 947 F CA 1.000 58.892 58.000 -0.181 0.000 1.308 947 F CB -0.583 38.333 39.000 -0.139 0.000 1.030 947 F HN 0.147 nan 8.300 nan 0.000 0.487 948 A N 0.097 122.816 122.820 -0.169 0.000 1.908 948 A HA -0.266 4.053 4.320 -0.001 0.000 0.218 948 A C 2.157 179.651 177.584 -0.151 0.000 1.181 948 A CA 2.027 53.929 52.037 -0.225 0.000 0.627 948 A CB -0.808 17.923 19.000 -0.448 0.000 0.818 948 A HN 0.343 nan 8.150 nan 0.000 0.445 949 K N 0.246 120.514 120.400 -0.220 0.000 2.074 949 K HA -0.181 4.139 4.320 -0.001 0.000 0.209 949 K C 1.886 178.467 176.600 -0.032 0.000 1.048 949 K CA 2.084 58.356 56.287 -0.024 0.000 0.926 949 K CB -0.242 32.200 32.500 -0.097 0.000 0.713 949 K HN 0.650 nan 8.250 nan 0.000 0.444 950 E N -0.038 120.066 120.200 -0.161 0.000 2.028 950 E HA -0.133 4.217 4.350 -0.001 0.000 0.190 950 E C 2.067 178.540 176.600 -0.212 0.000 0.984 950 E CA 1.294 57.576 56.400 -0.197 0.000 0.800 950 E CB -0.139 29.385 29.700 -0.294 0.000 0.758 950 E HN 0.281 nan 8.360 nan 0.000 0.448 951 L N 0.417 121.453 121.223 -0.311 0.000 2.131 951 L HA -0.207 4.132 4.340 -0.001 0.000 0.210 951 L C 2.586 179.414 176.870 -0.070 0.000 1.092 951 L CA 1.115 55.815 54.840 -0.233 0.000 0.759 951 L CB -0.478 41.421 42.059 -0.267 0.000 0.903 951 L HN 0.222 nan 8.230 nan 0.000 0.435 952 H N 0.653 119.671 119.070 -0.087 0.000 2.326 952 H HA -0.147 4.408 4.556 -0.001 0.000 0.301 952 H C 1.922 177.226 175.328 -0.039 0.000 1.081 952 H CA 1.578 57.610 56.048 -0.027 0.000 1.334 952 H CB 0.148 29.935 29.762 0.042 0.000 1.385 952 H HN 0.276 nan 8.280 nan 0.000 0.504 953 E N -0.170 120.006 120.200 -0.039 0.000 2.515 953 E HA -0.116 4.234 4.350 -0.001 0.000 0.201 953 E C 0.609 177.139 176.600 -0.116 0.000 1.071 953 E CA 0.436 56.781 56.400 -0.091 0.000 0.880 953 E CB 0.154 29.837 29.700 -0.029 0.000 0.828 953 E HN 0.680 nan 8.360 nan 0.000 0.540 954 Q N -0.955 118.769 119.800 -0.127 0.000 2.165 954 Q HA 0.219 4.559 4.340 -0.001 0.000 0.245 954 Q C 0.656 176.589 176.000 -0.112 0.000 0.841 954 Q CA 0.160 55.897 55.803 -0.109 0.000 1.078 954 Q CB 1.565 30.240 28.738 -0.105 0.000 1.169 954 Q HN 0.309 nan 8.270 nan 0.000 0.475 955 G N 0.620 109.329 108.800 -0.151 0.000 2.238 955 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.217 955 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.217 955 G C 0.157 174.986 174.900 -0.118 0.000 0.996 955 G CA -0.572 44.448 45.100 -0.132 0.000 0.632 955 G HN 0.087 nan 8.290 nan 0.000 0.503 956 K N 1.351 121.692 120.400 -0.098 0.000 2.258 956 K HA 0.494 4.814 4.320 -0.001 0.000 0.264 956 K C 0.864 177.482 176.600 0.031 0.000 1.007 956 K CA 0.306 56.576 56.287 -0.029 0.000 0.941 956 K CB 0.979 33.478 32.500 -0.002 0.000 0.966 956 K HN 0.380 nan 8.250 nan 0.000 0.480 957 G N 1.780 110.626 108.800 0.076 0.000 2.420 957 G HA2 0.186 4.145 3.960 -0.001 0.000 0.284 957 G HA3 0.186 4.145 3.960 -0.001 0.000 0.284 957 G C 1.450 176.474 174.900 0.207 0.000 1.177 957 G CA -0.668 44.527 45.100 0.159 0.000 0.841 957 G HN 0.612 nan 8.290 nan 0.000 0.527 958 I N 1.500 122.179 120.570 0.181 0.000 2.182 958 I HA -0.214 3.956 4.170 -0.001 0.000 0.248 958 I C 1.989 178.134 176.117 0.047 0.000 1.073 958 I CA 1.855 63.150 61.300 -0.009 0.000 1.335 958 I CB -1.501 36.341 38.000 -0.263 0.000 1.031 958 I HN 0.222 nan 8.210 nan 0.000 0.420 959 V N 1.818 121.739 119.914 0.012 0.000 2.379 959 V HA -0.195 3.925 4.120 -0.001 0.000 0.245 959 V C 2.736 178.833 176.094 0.004 0.000 1.044 959 V CA 2.047 64.342 62.300 -0.008 0.000 1.036 959 V CB -0.813 30.985 31.823 -0.042 0.000 0.664 959 V HN 0.438 nan 8.190 nan 0.000 0.453 960 E N 0.832 121.042 120.200 0.015 0.000 2.077 960 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 960 E C 2.311 178.926 176.600 0.024 0.000 0.989 960 E CA 1.332 57.738 56.400 0.009 0.000 0.800 960 E CB -0.365 29.340 29.700 0.008 0.000 0.746 960 E HN 0.592 nan 8.360 nan 0.000 0.452 961 A N 1.854 124.710 122.820 0.059 0.000 1.855 961 A HA -0.081 4.239 4.320 -0.001 0.000 0.215 961 A C 2.464 180.079 177.584 0.051 0.000 1.191 961 A CA 1.629 53.701 52.037 0.057 0.000 0.613 961 A CB -0.868 18.201 19.000 0.115 0.000 0.829 961 A HN 0.281 nan 8.150 nan 0.000 0.442 962 A N 0.942 123.812 122.820 0.084 0.000 1.859 962 A HA -0.231 4.089 4.320 -0.001 0.000 0.218 962 A C 2.219 179.807 177.584 0.006 0.000 1.209 962 A CA 2.211 54.286 52.037 0.064 0.000 0.639 962 A CB -1.140 17.928 19.000 0.113 0.000 0.835 962 A HN 1.183 nan 8.150 nan 0.000 0.450 963 I N -2.761 117.795 120.570 -0.022 0.000 2.194 963 I HA -0.245 3.924 4.170 -0.001 0.000 0.246 963 I C 2.090 178.182 176.117 -0.042 0.000 1.093 963 I CA 2.573 63.830 61.300 -0.071 0.000 1.355 963 I CB -0.477 37.475 38.000 -0.079 0.000 1.046 963 I HN 0.431 nan 8.210 nan 0.000 0.413 964 E N 1.043 121.246 120.200 0.006 0.000 2.358 964 E HA -0.069 4.280 4.350 -0.001 0.000 0.195 964 E C 2.191 178.862 176.600 0.119 0.000 1.010 964 E CA 0.805 57.231 56.400 0.043 0.000 0.856 964 E CB 0.122 29.849 29.700 0.045 0.000 0.795 964 E HN 0.711 nan 8.360 nan 0.000 0.504 965 A N 0.471 123.373 122.820 0.137 0.000 1.854 965 A HA -0.157 4.163 4.320 -0.001 0.000 0.214 965 A C 2.457 180.093 177.584 0.086 0.000 1.192 965 A CA 1.067 53.251 52.037 0.245 0.000 0.611 965 A CB -0.890 18.233 19.000 0.204 0.000 0.832 965 A HN 0.439 nan 8.150 nan 0.000 0.442 966 C N -0.885 118.442 119.300 0.045 0.000 2.398 966 C HA -0.132 4.327 4.460 -0.001 0.000 0.279 966 C C 2.777 177.852 174.990 0.142 0.000 1.250 966 C CA 1.357 60.427 59.018 0.087 0.000 1.786 966 C CB -1.431 26.241 27.740 -0.113 0.000 2.018 966 C HN 0.643 nan 8.230 nan 0.000 0.494 967 R N 0.227 120.746 120.500 0.033 0.000 2.056 967 R HA -0.073 4.267 4.340 -0.001 0.000 0.227 967 R C 2.448 178.746 176.300 -0.004 0.000 1.149 967 R CA 1.413 57.522 56.100 0.014 0.000 0.937 967 R CB -0.342 29.952 30.300 -0.010 0.000 0.835 967 R HN 0.387 nan 8.270 nan 0.000 0.430 968 M N 0.511 120.107 119.600 -0.007 0.000 2.110 968 M HA -0.233 4.246 4.480 -0.001 0.000 0.257 968 M C 2.127 178.338 176.300 -0.148 0.000 1.071 968 M CA 1.756 57.011 55.300 -0.076 0.000 1.096 968 M CB -0.890 31.642 32.600 -0.113 0.000 1.300 968 M HN 0.120 nan 8.290 nan 0.000 0.411 969 R N 0.357 120.743 120.500 -0.191 0.000 2.236 969 R HA 0.072 4.411 4.340 -0.001 0.000 0.208 969 R C 2.087 178.307 176.300 -0.133 0.000 1.036 969 R CA 0.333 56.303 56.100 -0.218 0.000 1.001 969 R CB -0.861 29.288 30.300 -0.252 0.000 0.896 969 R HN 0.437 nan 8.270 nan 0.000 0.464 970 L N 1.600 122.777 121.223 -0.077 0.000 2.127 970 L HA -0.220 4.120 4.340 -0.001 0.000 0.211 970 L C 1.765 178.609 176.870 -0.044 0.000 1.089 970 L CA 1.787 56.549 54.840 -0.130 0.000 0.757 970 L CB -0.209 41.740 42.059 -0.184 0.000 0.899 970 L HN 0.139 nan 8.230 nan 0.000 0.434 971 R N 0.298 120.807 120.500 0.016 0.000 2.061 971 R HA -0.099 4.240 4.340 -0.001 0.000 0.230 971 R C -0.271 175.922 176.300 -0.178 0.000 1.140 971 R CA 1.379 57.528 56.100 0.081 0.000 0.940 971 R CB -1.978 28.371 30.300 0.081 0.000 0.839 971 R HN 0.377 nan 8.270 nan 0.000 0.429 972 P HA -0.123 nan 4.420 nan 0.000 0.217 972 P C 1.321 178.487 177.300 -0.224 0.000 1.150 972 P CA 1.123 64.082 63.100 -0.235 0.000 0.832 972 P CB -0.205 31.378 31.700 -0.195 0.000 0.787 973 I N -4.184 116.281 120.570 -0.176 0.000 3.605 973 I HA 0.023 4.192 4.170 -0.001 0.000 0.301 973 I C 0.889 176.923 176.117 -0.138 0.000 1.267 973 I CA 0.656 61.868 61.300 -0.147 0.000 1.236 973 I CB -0.257 37.666 38.000 -0.128 0.000 1.010 973 I HN -0.210 nan 8.210 nan 0.000 0.491 974 V N 0.356 120.159 119.914 -0.186 0.000 3.013 974 V HA 0.039 4.159 4.120 -0.001 0.000 0.238 974 V C 2.231 178.139 176.094 -0.311 0.000 1.161 974 V CA 0.712 62.918 62.300 -0.156 0.000 1.170 974 V CB 0.338 32.150 31.823 -0.019 0.000 0.917 974 V HN 0.319 nan 8.190 nan 0.000 0.478 975 M N -0.030 119.150 119.600 -0.700 0.000 2.255 975 M HA -0.250 4.229 4.480 -0.001 0.000 0.260 975 M C 2.287 178.435 176.300 -0.253 0.000 1.069 975 M CA 2.676 57.536 55.300 -0.733 0.000 1.089 975 M CB -1.012 31.133 32.600 -0.758 0.000 1.269 975 M HN 0.323 nan 8.290 nan 0.000 0.434 976 T N 0.616 115.047 114.554 -0.206 0.000 2.592 976 T HA -0.211 4.139 4.350 -0.001 0.000 0.267 976 T C 1.973 176.662 174.700 -0.019 0.000 1.060 976 T CA 2.180 64.224 62.100 -0.094 0.000 1.167 976 T CB -0.396 68.409 68.868 -0.105 0.000 0.863 976 T HN 0.368 nan 8.240 nan 0.000 0.431 977 S N 0.851 116.532 115.700 -0.032 0.000 2.359 977 S HA -0.030 4.439 4.470 -0.001 0.000 0.223 977 S C 2.050 176.720 174.600 0.117 0.000 1.039 977 S CA 1.081 59.305 58.200 0.040 0.000 1.042 977 S CB -0.553 62.657 63.200 0.017 0.000 0.915 977 S HN 0.347 nan 8.310 nan 0.000 0.439 978 L N 0.998 122.274 121.223 0.088 0.000 2.042 978 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 978 L C 2.784 179.727 176.870 0.123 0.000 1.076 978 L CA 1.227 56.144 54.840 0.129 0.000 0.749 978 L CB -0.813 41.361 42.059 0.192 0.000 0.893 978 L HN 0.351 nan 8.230 nan 0.000 0.432 979 A N -0.255 122.627 122.820 0.104 0.000 1.948 979 A HA -0.295 4.025 4.320 -0.001 0.000 0.220 979 A C 2.112 179.773 177.584 0.129 0.000 1.177 979 A CA 1.868 53.964 52.037 0.098 0.000 0.636 979 A CB -0.729 18.312 19.000 0.068 0.000 0.815 979 A HN 0.428 nan 8.150 nan 0.000 0.449 980 F N 1.248 121.206 119.950 0.014 0.000 2.094 980 F HA -0.052 4.475 4.527 -0.001 0.000 0.291 980 F C 2.127 177.941 175.800 0.024 0.000 1.109 980 F CA 1.568 59.579 58.000 0.018 0.000 1.221 980 F CB -0.278 38.730 39.000 0.013 0.000 1.014 980 F HN 0.260 nan 8.300 nan 0.000 0.473 981 I N -0.691 119.923 120.570 0.073 0.000 2.264 981 I HA -0.281 3.889 4.170 -0.001 0.000 0.248 981 I C 2.290 178.355 176.117 -0.086 0.000 1.111 981 I CA 1.053 62.330 61.300 -0.038 0.000 1.382 981 I CB -1.136 36.915 38.000 0.084 0.000 1.060 981 I HN 0.214 nan 8.210 nan 0.000 0.418 982 L N 1.780 122.987 121.223 -0.026 0.000 2.093 982 L HA -0.038 4.302 4.340 -0.001 0.000 0.208 982 L C 2.568 179.399 176.870 -0.066 0.000 1.085 982 L CA 2.107 56.933 54.840 -0.023 0.000 0.755 982 L CB -1.505 40.570 42.059 0.026 0.000 0.904 982 L HN 0.371 nan 8.230 nan 0.000 0.435 983 G N -1.920 106.820 108.800 -0.101 0.000 2.776 983 G HA2 0.043 4.003 3.960 -0.001 0.000 0.209 983 G HA3 0.043 4.003 3.960 -0.001 0.000 0.209 983 G C 1.378 176.162 174.900 -0.192 0.000 1.145 983 G CA 0.362 45.394 45.100 -0.113 0.000 0.791 983 G HN 0.292 nan 8.290 nan 0.000 0.530 984 V N 0.005 119.765 119.914 -0.256 0.000 3.539 984 V HA -0.039 4.080 4.120 -0.001 0.000 0.262 984 V C 2.672 178.668 176.094 -0.164 0.000 1.381 984 V CA 0.842 62.978 62.300 -0.272 0.000 1.060 984 V CB 0.840 32.383 31.823 -0.468 0.000 0.842 984 V HN 0.261 nan 8.190 nan 0.000 0.445 985 V N -0.830 119.008 119.914 -0.126 0.000 2.453 985 V HA -0.138 3.982 4.120 -0.001 0.000 0.252 985 V C -0.007 176.044 176.094 -0.072 0.000 1.068 985 V CA 1.953 64.202 62.300 -0.086 0.000 1.070 985 V CB -2.451 29.338 31.823 -0.057 0.000 0.664 985 V HN 0.456 nan 8.190 nan 0.000 0.461 986 P HA -0.164 nan 4.420 nan 0.000 0.213 986 P C 2.155 179.432 177.300 -0.038 0.000 1.170 986 P CA 1.731 64.806 63.100 -0.041 0.000 0.902 986 P CB -0.188 31.491 31.700 -0.036 0.000 0.789 987 L N -1.111 120.075 121.223 -0.061 0.000 2.021 987 L HA -0.272 4.067 4.340 -0.001 0.000 0.215 987 L C 2.477 179.324 176.870 -0.038 0.000 1.074 987 L CA 2.016 56.815 54.840 -0.069 0.000 0.760 987 L CB -1.255 40.718 42.059 -0.143 0.000 0.889 987 L HN -0.019 nan 8.230 nan 0.000 0.433 988 A N 0.214 122.976 122.820 -0.097 0.000 1.969 988 A HA -0.082 4.237 4.320 -0.001 0.000 0.218 988 A C 1.864 179.276 177.584 -0.287 0.000 1.169 988 A CA 1.465 53.394 52.037 -0.180 0.000 0.635 988 A CB -0.562 18.350 19.000 -0.146 0.000 0.810 988 A HN 0.617 nan 8.150 nan 0.000 0.445 989 I N -1.728 118.762 120.570 -0.134 0.000 3.877 989 I HA 0.246 4.416 4.170 -0.001 0.000 0.332 989 I C 0.432 176.577 176.117 0.046 0.000 1.525 989 I CA -0.177 61.069 61.300 -0.088 0.000 1.146 989 I CB -0.082 37.885 38.000 -0.054 0.000 1.137 989 I HN 0.153 nan 8.210 nan 0.000 0.424 990 S N 0.897 116.682 115.700 0.140 0.000 2.576 990 S HA 0.229 4.698 4.470 -0.001 0.000 0.272 990 S C 0.389 175.091 174.600 0.171 0.000 1.352 990 S CA -0.105 58.181 58.200 0.142 0.000 1.021 990 S CB 1.223 64.487 63.200 0.108 0.000 0.887 990 S HN 0.434 nan 8.310 nan 0.000 0.542 991 T N 0.936 115.524 114.554 0.058 0.000 2.864 991 T HA 0.588 4.937 4.350 -0.001 0.000 0.299 991 T C 0.385 175.064 174.700 -0.034 0.000 1.011 991 T CA 0.638 62.760 62.100 0.036 0.000 0.975 991 T CB -0.300 68.597 68.868 0.049 0.000 0.962 991 T HN 2.101 nan 8.240 nan 0.000 0.448 992 G N 3.497 112.253 108.800 -0.074 0.000 2.901 992 G HA2 0.323 4.283 3.960 -0.001 0.000 0.654 992 G HA3 0.323 4.283 3.960 -0.001 0.000 0.654 992 G C 0.326 174.988 174.900 -0.397 0.000 1.550 992 G CA -0.064 44.932 45.100 -0.172 0.000 0.978 992 G HN 2.376 nan 8.290 nan 0.000 0.566 993 A N -0.418 121.901 122.820 -0.836 0.000 1.900 993 A HA 0.445 4.764 4.320 -0.001 0.000 0.251 993 A C 2.427 179.739 177.584 -0.454 0.000 1.334 993 A CA 1.729 53.143 52.037 -1.038 0.000 0.728 993 A CB -1.377 16.985 19.000 -1.064 0.000 1.197 993 A HN 3.399 nan 8.150 nan 0.000 0.278 994 G N 0.400 109.008 108.800 -0.320 0.000 2.179 994 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.260 994 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.260 994 G C 1.791 176.635 174.900 -0.095 0.000 0.977 994 G CA 1.604 46.629 45.100 -0.125 0.000 0.641 994 G HN 2.496 nan 8.290 nan 0.000 0.533 995 S N 0.126 115.708 115.700 -0.197 0.000 2.399 995 S HA 0.102 4.571 4.470 -0.001 0.000 0.231 995 S C 2.513 176.811 174.600 -0.505 0.000 1.022 995 S CA 1.651 59.679 58.200 -0.287 0.000 0.983 995 S CB -0.800 62.218 63.200 -0.305 0.000 0.803 995 S HN 1.629 nan 8.310 nan 0.000 0.480 996 G N 1.373 109.967 108.800 -0.343 0.000 2.446 996 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.217 996 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.217 996 G C 1.600 176.361 174.900 -0.232 0.000 1.168 996 G CA 1.082 46.013 45.100 -0.282 0.000 0.771 996 G HN 0.608 nan 8.290 nan 0.000 0.551 997 S N 0.081 115.669 115.700 -0.186 0.000 2.461 997 S HA -0.008 4.461 4.470 -0.001 0.000 0.228 997 S C 2.288 176.646 174.600 -0.402 0.000 1.005 997 S CA 0.614 58.596 58.200 -0.362 0.000 0.942 997 S CB -0.036 63.047 63.200 -0.194 0.000 0.776 997 S HN 0.477 nan 8.310 nan 0.000 0.514 998 Q N 0.363 120.028 119.800 -0.226 0.000 2.167 998 Q HA -0.088 4.251 4.340 -0.001 0.000 0.202 998 Q C 1.564 177.471 176.000 -0.155 0.000 0.970 998 Q CA 1.086 56.680 55.803 -0.349 0.000 0.855 998 Q CB -0.218 28.464 28.738 -0.093 0.000 0.911 998 Q HN 0.740 nan 8.270 nan 0.000 0.438 999 H N -0.396 118.549 119.070 -0.208 0.000 2.428 999 H HA -0.012 4.544 4.556 -0.001 0.000 0.296 999 H C 2.091 177.340 175.328 -0.133 0.000 1.062 999 H CA 0.361 56.325 56.048 -0.141 0.000 1.350 999 H CB 0.263 29.969 29.762 -0.094 0.000 1.403 999 H HN 0.272 nan 8.280 nan 0.000 0.533 1000 A N 1.579 124.359 122.820 -0.066 0.000 1.855 1000 A HA -0.133 4.187 4.320 -0.001 0.000 0.215 1000 A C 2.430 180.051 177.584 0.062 0.000 1.191 1000 A CA 1.550 53.566 52.037 -0.036 0.000 0.613 1000 A CB -0.637 18.250 19.000 -0.188 0.000 0.829 1000 A HN 0.444 nan 8.150 nan 0.000 0.442 1001 I N -2.142 118.430 120.570 0.004 0.000 2.206 1001 I HA 0.071 4.241 4.170 -0.001 0.000 0.239 1001 I C 2.496 178.621 176.117 0.014 0.000 1.078 1001 I CA 1.225 62.572 61.300 0.078 0.000 1.367 1001 I CB -1.406 36.650 38.000 0.092 0.000 1.078 1001 I HN 0.181 nan 8.210 nan 0.000 0.413 1002 G N 1.002 109.756 108.800 -0.076 0.000 2.503 1002 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.221 1002 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.221 1002 G C 1.559 176.434 174.900 -0.043 0.000 1.131 1002 G CA 1.859 46.910 45.100 -0.083 0.000 0.756 1002 G HN 0.440 nan 8.290 nan 0.000 0.572 1003 T N 0.782 115.325 114.554 -0.019 0.000 2.612 1003 T HA 0.024 4.374 4.350 -0.001 0.000 0.259 1003 T C 2.551 177.283 174.700 0.052 0.000 1.065 1003 T CA 1.519 63.617 62.100 -0.002 0.000 1.167 1003 T CB -0.950 67.915 68.868 -0.005 0.000 0.863 1003 T HN 0.346 nan 8.240 nan 0.000 0.407 1004 G N 1.140 110.007 108.800 0.112 0.000 2.505 1004 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.220 1004 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.220 1004 G C 1.728 176.683 174.900 0.092 0.000 1.145 1004 G CA 1.109 46.300 45.100 0.152 0.000 0.761 1004 G HN 0.400 nan 8.290 nan 0.000 0.571 1005 V N 2.201 122.168 119.914 0.089 0.000 2.231 1005 V HA -0.255 3.865 4.120 -0.001 0.000 0.248 1005 V C 2.833 179.039 176.094 0.186 0.000 1.054 1005 V CA 2.132 64.522 62.300 0.150 0.000 1.015 1005 V CB -0.476 31.457 31.823 0.184 0.000 0.638 1005 V HN 0.659 nan 8.190 nan 0.000 0.444 1006 I N -1.241 119.392 120.570 0.105 0.000 2.493 1006 I HA 0.018 4.188 4.170 -0.001 0.000 0.254 1006 I C 2.284 178.461 176.117 0.099 0.000 1.160 1006 I CA 1.635 62.994 61.300 0.099 0.000 1.445 1006 I CB -1.168 36.842 38.000 0.018 0.000 1.086 1006 I HN 0.222 nan 8.210 nan 0.000 0.433 1007 G N 1.745 110.595 108.800 0.083 0.000 2.511 1007 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.216 1007 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.216 1007 G C 1.603 176.550 174.900 0.079 0.000 1.218 1007 G CA 1.081 46.226 45.100 0.076 0.000 0.788 1007 G HN 0.517 nan 8.290 nan 0.000 0.560 1008 G N 0.581 109.425 108.800 0.074 0.000 2.586 1008 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.218 1008 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.218 1008 G C 1.852 176.789 174.900 0.061 0.000 1.216 1008 G CA 1.545 46.675 45.100 0.050 0.000 0.786 1008 G HN 0.234 nan 8.290 nan 0.000 0.583 1009 M N 0.182 119.842 119.600 0.101 0.000 2.103 1009 M HA -0.147 4.333 4.480 -0.001 0.000 0.255 1009 M C 2.810 179.165 176.300 0.092 0.000 1.074 1009 M CA 1.127 56.488 55.300 0.102 0.000 1.090 1009 M CB -1.203 31.542 32.600 0.241 0.000 1.325 1009 M HN 0.146 nan 8.290 nan 0.000 0.403 1010 V N -0.943 119.032 119.914 0.103 0.000 2.255 1010 V HA -0.271 3.848 4.120 -0.001 0.000 0.247 1010 V C 2.283 178.430 176.094 0.088 0.000 1.051 1010 V CA 2.336 64.693 62.300 0.095 0.000 1.018 1010 V CB -0.996 30.881 31.823 0.090 0.000 0.641 1010 V HN 0.494 nan 8.190 nan 0.000 0.445 1011 T N -1.015 113.585 114.554 0.077 0.000 3.160 1011 T HA 0.151 4.500 4.350 -0.001 0.000 0.257 1011 T C 1.151 175.891 174.700 0.066 0.000 1.147 1011 T CA 0.886 63.029 62.100 0.072 0.000 1.064 1011 T CB -0.205 68.694 68.868 0.052 0.000 0.949 1011 T HN 0.483 nan 8.240 nan 0.000 0.526 1012 A N -0.837 122.018 122.820 0.058 0.000 2.470 1012 A HA 0.432 4.751 4.320 -0.001 0.000 0.251 1012 A C 1.725 179.338 177.584 0.049 0.000 1.245 1012 A CA 0.020 52.083 52.037 0.044 0.000 0.932 1012 A CB 0.270 19.275 19.000 0.008 0.000 1.037 1012 A HN 0.441 nan 8.150 nan 0.000 0.522 1013 T N -1.643 112.948 114.554 0.063 0.000 3.330 1013 T HA 0.044 4.393 4.350 -0.001 0.000 0.240 1013 T C 1.761 176.501 174.700 0.066 0.000 0.988 1013 T CA 0.993 63.117 62.100 0.039 0.000 1.253 1013 T CB -0.421 68.465 68.868 0.030 0.000 1.163 1013 T HN -0.057 nan 8.240 nan 0.000 0.382 1014 V N 2.684 122.664 119.914 0.111 0.000 2.313 1014 V HA -0.176 3.943 4.120 -0.001 0.000 0.253 1014 V C 2.411 178.702 176.094 0.329 0.000 1.070 1014 V CA 1.647 64.065 62.300 0.197 0.000 1.057 1014 V CB -0.594 31.344 31.823 0.193 0.000 0.653 1014 V HN 0.376 nan 8.190 nan 0.000 0.450 1015 L N -1.093 120.294 121.223 0.273 0.000 2.145 1015 L HA 0.042 4.382 4.340 -0.001 0.000 0.201 1015 L C 2.677 179.820 176.870 0.455 0.000 1.075 1015 L CA 1.801 56.854 54.840 0.355 0.000 0.773 1015 L CB -1.225 40.931 42.059 0.161 0.000 0.936 1015 L HN 0.383 nan 8.230 nan 0.000 0.451 1016 A N 1.208 124.195 122.820 0.278 0.000 1.873 1016 A HA -0.209 4.111 4.320 -0.001 0.000 0.215 1016 A C 2.068 179.823 177.584 0.285 0.000 1.186 1016 A CA 1.639 53.846 52.037 0.283 0.000 0.616 1016 A CB -0.812 18.275 19.000 0.146 0.000 0.823 1016 A HN 0.538 nan 8.150 nan 0.000 0.442 1017 I N -4.512 116.124 120.570 0.111 0.000 2.761 1017 I HA -0.198 3.972 4.170 -0.001 0.000 0.266 1017 I C 1.797 177.935 176.117 0.036 0.000 1.239 1017 I CA 1.693 62.968 61.300 -0.042 0.000 1.451 1017 I CB -0.376 37.364 38.000 -0.434 0.000 1.096 1017 I HN 0.214 nan 8.210 nan 0.000 0.465 1018 F N -1.049 119.133 119.950 0.387 0.000 2.678 1018 F HA 0.192 4.718 4.527 -0.001 0.000 0.291 1018 F C 1.500 177.319 175.800 0.030 0.000 1.123 1018 F CA -0.061 58.081 58.000 0.237 0.000 1.395 1018 F CB 0.066 39.193 39.000 0.211 0.000 1.121 1018 F HN 0.043 nan 8.300 nan 0.000 0.592 1019 W N -1.300 120.194 121.300 0.322 0.000 2.792 1019 W HA 0.152 4.812 4.660 -0.001 0.000 0.262 1019 W C 1.988 178.706 176.519 0.331 0.000 1.212 1019 W CA 0.176 57.671 57.345 0.250 0.000 1.433 1019 W CB -0.862 28.842 29.460 0.406 0.000 1.004 1019 W HN -0.353 nan 8.180 nan 0.000 0.608 1020 V N 2.139 122.382 119.914 0.549 0.000 2.282 1020 V HA -0.269 3.850 4.120 -0.001 0.000 0.249 1020 V C -0.414 175.869 176.094 0.316 0.000 1.057 1020 V CA 2.060 64.618 62.300 0.430 0.000 1.032 1020 V CB -2.238 29.728 31.823 0.237 0.000 0.645 1020 V HN -0.034 nan 8.190 nan 0.000 0.447 1021 P HA -0.165 nan 4.420 nan 0.000 0.215 1021 P C 2.055 179.410 177.300 0.092 0.000 1.153 1021 P CA 1.415 64.586 63.100 0.118 0.000 0.853 1021 P CB -0.057 31.656 31.700 0.021 0.000 0.788 1022 L N -1.754 119.453 121.223 -0.026 0.000 1.970 1022 L HA -0.217 4.122 4.340 -0.001 0.000 0.212 1022 L C 2.342 179.144 176.870 -0.113 0.000 1.071 1022 L CA 1.902 56.630 54.840 -0.187 0.000 0.751 1022 L CB -0.740 41.061 42.059 -0.430 0.000 0.889 1022 L HN -0.110 nan 8.230 nan 0.000 0.432 1023 F N -1.427 118.573 119.950 0.084 0.000 2.126 1023 F HA -0.327 4.200 4.527 -0.001 0.000 0.299 1023 F C 2.435 178.301 175.800 0.110 0.000 1.096 1023 F CA 1.809 59.859 58.000 0.083 0.000 1.255 1023 F CB -0.780 38.277 39.000 0.095 0.000 0.997 1023 F HN 0.169 nan 8.300 nan 0.000 0.479 1024 Y N 0.810 121.224 120.300 0.189 0.000 2.070 1024 Y HA -0.265 4.284 4.550 -0.001 0.000 0.280 1024 Y C 2.356 178.273 175.900 0.027 0.000 1.148 1024 Y CA 1.589 59.746 58.100 0.094 0.000 1.125 1024 Y CB -0.888 37.602 38.460 0.049 0.000 0.975 1024 Y HN -0.136 nan 8.280 nan 0.000 0.492 1025 V N 0.543 120.414 119.914 -0.073 0.000 2.261 1025 V HA -0.337 3.782 4.120 -0.001 0.000 0.246 1025 V C 2.733 178.732 176.094 -0.159 0.000 1.047 1025 V CA 1.993 64.177 62.300 -0.194 0.000 1.015 1025 V CB -1.767 29.995 31.823 -0.102 0.000 0.642 1025 V HN 0.567 nan 8.190 nan 0.000 0.446 1026 A N -0.258 122.512 122.820 -0.084 0.000 1.892 1026 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 1026 A C 2.407 179.975 177.584 -0.027 0.000 1.188 1026 A CA 2.444 54.448 52.037 -0.054 0.000 0.631 1026 A CB -0.830 18.143 19.000 -0.044 0.000 0.822 1026 A HN 0.339 nan 8.150 nan 0.000 0.447 1027 V N -0.498 119.426 119.914 0.015 0.000 2.358 1027 V HA -0.194 3.926 4.120 -0.001 0.000 0.246 1027 V C 2.811 178.861 176.094 -0.074 0.000 1.047 1027 V CA 2.250 64.564 62.300 0.023 0.000 1.035 1027 V CB -0.730 31.168 31.823 0.125 0.000 0.658 1027 V HN 0.570 nan 8.190 nan 0.000 0.452 1028 S N 0.333 115.921 115.700 -0.187 0.000 2.359 1028 S HA -0.163 4.307 4.470 -0.001 0.000 0.224 1028 S C 1.648 176.143 174.600 -0.175 0.000 1.035 1028 S CA 1.816 59.861 58.200 -0.259 0.000 1.018 1028 S CB -0.476 62.408 63.200 -0.527 0.000 0.876 1028 S HN 0.819 nan 8.310 nan 0.000 0.448 1029 T N 1.359 115.819 114.554 -0.157 0.000 4.029 1029 T HA 0.431 4.781 4.350 -0.001 0.000 0.226 1029 T C 0.036 174.691 174.700 -0.074 0.000 0.838 1029 T CA -0.105 61.931 62.100 -0.107 0.000 0.907 1029 T CB -0.942 67.867 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 -0.070 0.000 2.949 1030 L HA 0.000 4.340 4.340 -0.001 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 -0.058 0.000 0.961 1030 L HN 0.000 nan 8.230 nan 0.000 0.502