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 3i9v_1_3 DATA FIRST_RESID 1 DATA SEQUENCE MVRVKVNDRI VEVPPGTSVM DAVFHAGYDV PLFCSEKHLS PIGACRMCLV DATA SEQUENCE RIGLPXXXXX XXXXXXXXXX XXIQWQPKLA ASCVTAVADG MVVDTLSDVV DATA SEQUENCE REAQAGMVEF TLLNHPLDCP TCDKGGACEL QDRTVEYGLY EKYXXXXXXE DATA SEQUENCE LPVYTRFEFT RRHVDKHHPL SPFVILDRER CIHCKRCVRY FEEVPGDEVL DATA SEQUENCE DFIERGVHTF IGTMDFGLPS GFSGNITDIC PVGALLDLTA RFRARNWEME DATA SEQUENCE ETPTTCALCP VGCGITADTR SGELLRIRAR EVPEVNEIWI CDAGRFGHEW DATA SEQUENCE ADQNRLKTPL VRKEGRLVEA TWEEAFLALK EGLKEARGEE VGLYLAHDAT DATA SEQUENCE LEEGLLASEL AKALKTPHLD FQGRTAAPAS LFPPASLEDL LQADFALVLG DATA SEQUENCE DPTEEAPILH LRLSEFVRDL KPPHRYNHGT PFADLQIKER MPRRTDKMAL DATA SEQUENCE FAPYRAPLMK WAAIHEVHRP GEEREILLAL LGDKEGSEMV AKAKEAWEKA DATA SEQUENCE KNPVLILGAG VLQDTVAAER ARLLAERKGA KVLAMTPAAN ARGLEAMGVL DATA SEQUENCE PGAKGASWDE PGALYAYYGF VPPEEALKGK RFVVMHLSHL HPLAERYAHV DATA SEQUENCE VLPAPTFYEK RGHLVNLEGR VLPLSPAPIE NGEAEGALQV LALLAEALGV DATA SEQUENCE RPPFRLHLEA QKALKARKVP EAMGRLSFRL KELRPKERKG AFYLRPTMWK DATA SEQUENCE AHQAVGKAQE AARAELWAHP ETARAEALPE GAQVAVETPF GRVEARVVHR DATA SEQUENCE EDVPKGHLYL SALGPAAGLR VEGRVLV 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 0.000 176.279 176.300 -0.035 0.000 1.140 1 M CA 0.000 55.264 55.300 -0.059 0.000 0.988 1 M CB 0.000 32.559 32.600 -0.069 0.000 1.302 2 V N 1.065 120.961 119.914 -0.030 0.000 2.667 2 V HA 0.566 4.672 4.120 -0.024 0.000 0.308 2 V C -0.514 175.581 176.094 0.002 0.000 1.048 2 V CA -0.617 61.676 62.300 -0.012 0.000 0.928 2 V CB 2.015 33.834 31.823 -0.006 0.000 1.004 2 V HN 0.720 nan 8.190 nan 0.000 0.444 3 R N 2.457 122.961 120.500 0.005 0.000 2.202 3 R HA 0.638 4.963 4.340 -0.024 0.000 0.334 3 R C -1.194 175.117 176.300 0.018 0.000 1.036 3 R CA -0.011 56.096 56.100 0.013 0.000 0.878 3 R CB 1.020 31.323 30.300 0.005 0.000 1.067 3 R HN 0.559 nan 8.270 nan 0.000 0.457 4 V N 4.383 124.317 119.914 0.033 0.000 2.769 4 V HA 0.422 4.528 4.120 -0.024 0.000 0.312 4 V C -0.636 175.477 176.094 0.032 0.000 1.061 4 V CA -0.884 61.437 62.300 0.034 0.000 0.931 4 V CB 2.034 33.890 31.823 0.054 0.000 1.010 4 V HN 0.670 nan 8.190 nan 0.000 0.433 5 K N 3.068 123.478 120.400 0.017 0.000 2.483 5 K HA 0.571 4.877 4.320 -0.024 0.000 0.256 5 K C -0.186 176.411 176.600 -0.005 0.000 0.961 5 K CA -0.434 55.858 56.287 0.009 0.000 0.873 5 K CB 1.691 34.189 32.500 -0.003 0.000 1.107 5 K HN 0.436 nan 8.250 nan 0.000 0.432 6 V N 3.543 123.443 119.914 -0.023 0.000 2.233 6 V HA -0.199 3.907 4.120 -0.024 0.000 0.174 6 V C 1.710 177.708 176.094 -0.160 0.000 0.888 6 V CA 0.949 63.187 62.300 -0.104 0.000 1.161 6 V CB -0.282 31.451 31.823 -0.151 0.000 0.717 6 V HN 0.831 nan 8.190 nan 0.000 0.460 7 N N 1.063 119.559 118.700 -0.341 0.000 2.272 7 N HA -0.038 4.687 4.740 -0.024 0.000 0.195 7 N C 1.055 176.504 175.510 -0.102 0.000 1.048 7 N CA 1.580 54.465 53.050 -0.275 0.000 0.912 7 N CB -0.327 37.859 38.487 -0.502 0.000 1.096 7 N HN 0.796 nan 8.380 nan 0.000 0.471 8 D N -0.726 119.643 120.400 -0.052 0.000 2.501 8 D HA 0.153 4.778 4.640 -0.024 0.000 0.224 8 D C 0.136 176.466 176.300 0.049 0.000 1.202 8 D CA -0.142 53.871 54.000 0.021 0.000 0.829 8 D CB 0.294 41.123 40.800 0.048 0.000 1.023 8 D HN -0.027 nan 8.370 nan 0.000 0.499 9 R N 0.358 120.890 120.500 0.054 0.000 2.561 9 R HA 0.622 4.948 4.340 -0.024 0.000 0.297 9 R C -1.224 175.108 176.300 0.053 0.000 0.969 9 R CA -0.731 55.418 56.100 0.082 0.000 0.879 9 R CB 1.363 31.769 30.300 0.176 0.000 1.178 9 R HN 0.028 nan 8.270 nan 0.000 0.445 10 I N 4.024 124.620 120.570 0.044 0.000 2.460 10 I HA 0.495 4.650 4.170 -0.024 0.000 0.298 10 I C -0.590 175.560 176.117 0.054 0.000 0.989 10 I CA -1.024 60.300 61.300 0.040 0.000 1.173 10 I CB 2.045 40.061 38.000 0.026 0.000 1.338 10 I HN 0.233 nan 8.210 nan 0.000 0.456 11 V N 3.302 123.261 119.914 0.074 0.000 2.971 11 V HA 0.408 4.513 4.120 -0.024 0.000 0.309 11 V C -0.462 175.699 176.094 0.113 0.000 1.130 11 V CA -0.996 61.374 62.300 0.116 0.000 0.964 11 V CB 2.016 33.965 31.823 0.210 0.000 1.029 11 V HN 0.558 nan 8.190 nan 0.000 0.427 12 E N 1.255 121.524 120.200 0.115 0.000 2.349 12 E HA 0.702 5.038 4.350 -0.024 0.000 0.265 12 E C -0.879 175.748 176.600 0.044 0.000 1.064 12 E CA -0.198 56.239 56.400 0.062 0.000 0.886 12 E CB 2.225 31.948 29.700 0.037 0.000 1.036 12 E HN 0.551 nan 8.360 nan 0.000 0.413 13 V N 3.567 123.458 119.914 -0.038 0.000 2.915 13 V HA 0.164 4.270 4.120 -0.024 0.000 0.273 13 V C -2.657 173.354 176.094 -0.138 0.000 1.538 13 V CA -1.460 60.765 62.300 -0.125 0.000 0.946 13 V CB 2.440 34.246 31.823 -0.028 0.000 1.183 13 V HN 0.489 nan 8.190 nan 0.000 0.446 14 P HA 0.207 nan 4.420 nan 0.000 0.268 14 P C -2.163 175.064 177.300 -0.122 0.000 1.208 14 P CA -0.656 62.284 63.100 -0.267 0.000 0.777 14 P CB 0.224 31.556 31.700 -0.612 0.000 0.875 15 P HA -0.214 nan 4.420 nan 0.000 0.215 15 P C 1.573 178.886 177.300 0.021 0.000 1.163 15 P CA 2.150 65.239 63.100 -0.017 0.000 0.894 15 P CB -0.799 30.895 31.700 -0.010 0.000 0.791 16 G N -0.746 108.080 108.800 0.044 0.000 2.708 16 G HA2 -0.086 3.859 3.960 -0.024 0.000 0.210 16 G HA3 -0.086 3.859 3.960 -0.024 0.000 0.210 16 G C 0.396 175.362 174.900 0.110 0.000 1.141 16 G CA 0.222 45.372 45.100 0.084 0.000 0.788 16 G HN 0.262 nan 8.290 nan 0.000 0.531 17 T N 0.809 115.435 114.554 0.121 0.000 2.928 17 T HA 0.270 4.606 4.350 -0.024 0.000 0.305 17 T C 0.777 175.549 174.700 0.120 0.000 1.035 17 T CA 0.046 62.254 62.100 0.180 0.000 1.145 17 T CB 1.288 70.299 68.868 0.238 0.000 0.963 17 T HN 0.191 nan 8.240 nan 0.000 0.545 18 S N 2.304 118.064 115.700 0.099 0.000 2.549 18 S HA 0.068 4.524 4.470 -0.024 0.000 0.279 18 S C 1.555 176.197 174.600 0.069 0.000 1.321 18 S CA -0.891 57.351 58.200 0.070 0.000 1.054 18 S CB 0.409 63.643 63.200 0.057 0.000 0.899 18 S HN 0.484 nan 8.310 nan 0.000 0.497 19 V N 6.422 126.372 119.914 0.061 0.000 2.546 19 V HA -0.233 3.872 4.120 -0.024 0.000 0.254 19 V C 2.262 178.385 176.094 0.048 0.000 1.076 19 V CA 2.495 64.826 62.300 0.053 0.000 1.087 19 V CB -0.930 30.915 31.823 0.036 0.000 0.674 19 V HN 1.001 nan 8.190 nan 0.000 0.470 20 M N -0.396 119.240 119.600 0.061 0.000 2.132 20 M HA -0.160 4.306 4.480 -0.024 0.000 0.263 20 M C 1.856 178.223 176.300 0.112 0.000 1.065 20 M CA 1.973 57.333 55.300 0.100 0.000 1.122 20 M CB -0.280 32.410 32.600 0.148 0.000 1.365 20 M HN 0.300 nan 8.290 nan 0.000 0.411 21 D N 0.339 120.756 120.400 0.029 0.000 2.149 21 D HA -0.060 4.565 4.640 -0.024 0.000 0.201 21 D C 1.966 178.317 176.300 0.086 0.000 0.972 21 D CA 1.499 55.453 54.000 -0.076 0.000 0.835 21 D CB -0.079 40.478 40.800 -0.404 0.000 0.966 21 D HN 0.529 nan 8.370 nan 0.000 0.476 22 A N 0.995 123.896 122.820 0.136 0.000 1.902 22 A HA -0.114 4.191 4.320 -0.024 0.000 0.217 22 A C 2.543 180.226 177.584 0.164 0.000 1.181 22 A CA 0.895 53.057 52.037 0.208 0.000 0.623 22 A CB -0.752 18.338 19.000 0.151 0.000 0.818 22 A HN 0.094 nan 8.150 nan 0.000 0.443 23 V N -1.185 118.764 119.914 0.058 0.000 2.233 23 V HA -0.263 3.842 4.120 -0.024 0.000 0.247 23 V C 2.303 178.363 176.094 -0.056 0.000 1.050 23 V CA 2.342 64.622 62.300 -0.033 0.000 1.010 23 V CB -0.874 30.860 31.823 -0.148 0.000 0.637 23 V HN 0.593 nan 8.190 nan 0.000 0.444 24 F N -0.307 119.524 119.950 -0.197 0.000 2.202 24 F HA -0.202 4.311 4.527 -0.025 0.000 0.301 24 F C 2.393 178.038 175.800 -0.259 0.000 1.082 24 F CA 2.064 59.824 58.000 -0.401 0.000 1.313 24 F CB -0.605 37.787 39.000 -1.012 0.000 1.024 24 F HN 0.300 nan 8.300 nan 0.000 0.495 25 H N -0.218 118.859 119.070 0.010 0.000 2.457 25 H HA 0.019 4.560 4.556 -0.024 0.000 0.294 25 H C 1.985 177.403 175.328 0.151 0.000 1.064 25 H CA 1.175 57.344 56.048 0.203 0.000 1.330 25 H CB -0.104 29.863 29.762 0.343 0.000 1.395 25 H HN 0.108 nan 8.280 nan 0.000 0.541 26 A N -0.731 122.139 122.820 0.084 0.000 2.238 26 A HA 0.317 4.622 4.320 -0.024 0.000 0.208 26 A C 1.725 179.328 177.584 0.031 0.000 1.177 26 A CA 0.747 52.823 52.037 0.064 0.000 0.804 26 A CB -0.666 18.456 19.000 0.204 0.000 0.823 26 A HN 0.719 nan 8.150 nan 0.000 0.482 27 G N -2.281 106.506 108.800 -0.022 0.000 2.165 27 G HA2 -0.250 3.696 3.960 -0.024 0.000 0.226 27 G HA3 -0.250 3.696 3.960 -0.024 0.000 0.226 27 G C -0.104 174.594 174.900 -0.338 0.000 1.035 27 G CA 0.353 45.364 45.100 -0.148 0.000 0.744 27 G HN 0.416 nan 8.290 nan 0.000 0.501 28 Y N 0.578 120.781 120.300 -0.161 0.000 2.853 28 Y HA 0.694 5.229 4.550 -0.025 0.000 0.332 28 Y C 0.674 176.294 175.900 -0.467 0.000 1.229 28 Y CA 0.078 58.041 58.100 -0.228 0.000 1.177 28 Y CB 1.091 39.432 38.460 -0.199 0.000 1.435 28 Y HN 0.348 nan 8.280 nan 0.000 0.659 29 D N -0.989 119.228 120.400 -0.305 0.000 2.653 29 D HA 0.493 5.118 4.640 -0.024 0.000 0.258 29 D C -1.780 174.323 176.300 -0.330 0.000 1.252 29 D CA -0.569 53.110 54.000 -0.536 0.000 0.777 29 D CB 1.731 42.500 40.800 -0.053 0.000 1.339 29 D HN 0.512 nan 8.370 nan 0.000 0.422 30 V N -0.461 119.291 119.914 -0.271 0.000 2.963 30 V HA 0.396 4.501 4.120 -0.024 0.000 0.272 30 V C -2.982 172.945 176.094 -0.278 0.000 1.559 30 V CA -1.215 60.889 62.300 -0.326 0.000 0.959 30 V CB 2.158 33.809 31.823 -0.286 0.000 1.202 30 V HN 0.496 nan 8.190 nan 0.000 0.447 31 P HA 0.275 nan 4.420 nan 0.000 0.266 31 P C -1.079 176.069 177.300 -0.254 0.000 1.193 31 P CA 0.133 62.917 63.100 -0.527 0.000 0.770 31 P CB 0.271 31.524 31.700 -0.745 0.000 0.836 32 L N 3.978 125.088 121.223 -0.188 0.000 2.811 32 L HA 0.189 4.515 4.340 -0.024 0.000 0.251 32 L C -1.118 175.860 176.870 0.179 0.000 0.971 32 L CA -0.130 54.740 54.840 0.050 0.000 0.990 32 L CB 0.533 42.731 42.059 0.232 0.000 1.320 32 L HN 0.256 nan 8.230 nan 0.000 0.473 33 F N 1.886 121.876 119.950 0.067 0.000 2.479 33 F HA 0.079 4.590 4.527 -0.027 0.000 0.280 33 F C 2.292 178.128 175.800 0.059 0.000 0.982 33 F CA 1.071 59.109 58.000 0.063 0.000 1.276 33 F CB -0.482 38.559 39.000 0.068 0.000 1.137 33 F HN 0.681 nan 8.300 nan 0.000 0.660 34 C N -0.688 118.773 119.300 0.268 0.000 2.514 34 C HA 0.258 4.703 4.460 -0.024 0.000 0.271 34 C C 1.141 176.209 174.990 0.130 0.000 1.399 34 C CA -0.497 58.628 59.018 0.179 0.000 1.765 34 C CB -1.554 26.283 27.740 0.162 0.000 1.893 34 C HN 0.146 nan 8.230 nan 0.000 0.531 35 S N 1.322 117.092 115.700 0.117 0.000 2.586 35 S HA 0.599 5.054 4.470 -0.024 0.000 0.274 35 S C -0.590 174.026 174.600 0.026 0.000 1.281 35 S CA 0.091 58.339 58.200 0.081 0.000 1.035 35 S CB 1.356 64.612 63.200 0.093 0.000 0.962 35 S HN 0.669 nan 8.310 nan 0.000 0.512 36 E N 1.036 121.239 120.200 0.005 0.000 2.356 36 E HA 0.294 4.629 4.350 -0.024 0.000 0.275 36 E C -1.331 175.213 176.600 -0.095 0.000 0.904 36 E CA -0.779 55.580 56.400 -0.067 0.000 0.757 36 E CB 0.900 30.604 29.700 0.007 0.000 1.232 36 E HN 0.429 nan 8.360 nan 0.000 0.442 37 K N 2.412 122.671 120.400 -0.236 0.000 2.550 37 K HA -0.022 4.283 4.320 -0.024 0.000 0.280 37 K C -0.370 176.186 176.600 -0.074 0.000 0.987 37 K CA 0.959 57.079 56.287 -0.279 0.000 1.048 37 K CB -0.178 32.093 32.500 -0.381 0.000 0.879 37 K HN 0.767 nan 8.250 nan 0.000 0.491 38 H N -1.451 117.649 119.070 0.051 0.000 3.211 38 H HA -0.189 4.353 4.556 -0.024 0.000 0.240 38 H C -0.519 174.945 175.328 0.227 0.000 1.148 38 H CA 0.671 56.817 56.048 0.163 0.000 1.160 38 H CB -1.296 28.620 29.762 0.256 0.000 1.232 38 H HN 0.357 nan 8.280 nan 0.000 0.321 39 L N 0.471 121.837 121.223 0.238 0.000 2.319 39 L HA 0.422 4.748 4.340 -0.024 0.000 0.267 39 L C 0.559 177.506 176.870 0.129 0.000 1.011 39 L CA -0.755 54.208 54.840 0.205 0.000 0.818 39 L CB 1.674 43.855 42.059 0.202 0.000 1.316 39 L HN 0.195 nan 8.230 nan 0.000 0.432 40 S N 1.620 117.386 115.700 0.110 0.000 2.544 40 S HA 0.188 4.643 4.470 -0.024 0.000 0.290 40 S C -2.375 172.274 174.600 0.081 0.000 1.276 40 S CA -0.929 57.320 58.200 0.081 0.000 1.075 40 S CB -0.048 63.193 63.200 0.067 0.000 0.849 40 S HN 0.325 nan 8.310 nan 0.000 0.494 41 P HA 0.526 nan 4.420 nan 0.000 0.285 41 P C -0.886 176.453 177.300 0.065 0.000 1.259 41 P CA -0.599 62.544 63.100 0.071 0.000 0.794 41 P CB 0.638 32.379 31.700 0.068 0.000 0.940 42 I N -0.134 120.477 120.570 0.068 0.000 2.722 42 I HA 0.535 4.691 4.170 -0.024 0.000 0.295 42 I C 0.381 176.532 176.117 0.057 0.000 1.161 42 I CA -1.014 60.320 61.300 0.057 0.000 1.032 42 I CB 1.807 39.842 38.000 0.059 0.000 1.244 42 I HN 0.247 nan 8.210 nan 0.000 0.421 43 G N 2.545 111.371 108.800 0.042 0.000 2.444 43 G HA2 0.537 4.483 3.960 -0.024 0.000 0.303 43 G HA3 0.537 4.483 3.960 -0.024 0.000 0.303 43 G C 0.271 175.191 174.900 0.033 0.000 1.032 43 G CA 0.303 45.426 45.100 0.037 0.000 1.137 43 G HN 1.022 nan 8.290 nan 0.000 0.430 44 A N 1.863 124.713 122.820 0.049 0.000 1.933 44 A HA 0.095 4.400 4.320 -0.024 0.000 0.198 44 A C 2.250 179.864 177.584 0.052 0.000 1.617 44 A CA 1.115 53.176 52.037 0.040 0.000 1.039 44 A CB -0.401 18.631 19.000 0.052 0.000 1.066 44 A HN 1.157 nan 8.150 nan 0.000 0.484 45 C N -0.930 118.426 119.300 0.094 0.000 2.464 45 C HA 0.312 4.758 4.460 -0.024 0.000 0.278 45 C C 1.234 176.272 174.990 0.080 0.000 1.375 45 C CA 0.419 59.516 59.018 0.132 0.000 1.761 45 C CB -1.056 26.830 27.740 0.245 0.000 1.944 45 C HN 0.575 nan 8.230 nan 0.000 0.509 46 R N -0.707 119.818 120.500 0.041 0.000 3.423 46 R HA -0.157 4.169 4.340 -0.024 0.000 0.271 46 R C 0.594 176.879 176.300 -0.025 0.000 1.093 46 R CA 0.968 57.073 56.100 0.009 0.000 0.730 46 R CB -1.944 28.364 30.300 0.013 0.000 1.190 46 R HN 0.542 nan 8.270 nan 0.000 0.437 47 M N -0.836 118.726 119.600 -0.064 0.000 2.657 47 M HA 0.023 4.489 4.480 -0.024 0.000 0.262 47 M C 1.918 178.106 176.300 -0.186 0.000 1.213 47 M CA 1.191 56.389 55.300 -0.170 0.000 1.182 47 M CB -0.052 32.366 32.600 -0.303 0.000 1.303 47 M HN 0.459 nan 8.290 nan 0.000 0.501 48 C N 1.770 121.001 119.300 -0.115 0.000 2.289 48 C HA 0.458 4.904 4.460 -0.024 0.000 0.391 48 C C 0.715 175.649 174.990 -0.093 0.000 1.304 48 C CA -1.138 57.819 59.018 -0.102 0.000 1.679 48 C CB -2.364 25.366 27.740 -0.017 0.000 1.885 48 C HN 0.190 nan 8.230 nan 0.000 0.587 49 L N 2.068 123.225 121.223 -0.111 0.000 2.380 49 L HA 0.544 4.870 4.340 -0.024 0.000 0.273 49 L C 0.512 177.317 176.870 -0.108 0.000 1.138 49 L CA 0.046 54.832 54.840 -0.091 0.000 0.832 49 L CB 0.948 42.955 42.059 -0.087 0.000 1.124 49 L HN 0.458 nan 8.230 nan 0.000 0.454 50 V N 1.153 121.013 119.914 -0.090 0.000 3.164 50 V HA 0.631 4.736 4.120 -0.024 0.000 0.313 50 V C -0.466 175.562 176.094 -0.111 0.000 1.188 50 V CA -1.182 61.055 62.300 -0.104 0.000 1.058 50 V CB 1.960 33.735 31.823 -0.081 0.000 1.110 50 V HN 0.777 nan 8.190 nan 0.000 0.453 51 R N 0.219 120.626 120.500 -0.154 0.000 2.514 51 R HA 0.756 5.082 4.340 -0.024 0.000 0.301 51 R C -1.548 174.743 176.300 -0.016 0.000 0.962 51 R CA -0.705 55.268 56.100 -0.210 0.000 0.882 51 R CB 1.476 31.457 30.300 -0.532 0.000 1.143 51 R HN 0.852 nan 8.270 nan 0.000 0.452 52 I N 2.811 123.479 120.570 0.164 0.000 2.436 52 I HA 0.376 4.531 4.170 -0.024 0.000 0.289 52 I C 0.114 176.528 176.117 0.497 0.000 1.010 52 I CA -0.692 60.797 61.300 0.315 0.000 1.098 52 I CB 2.208 40.293 38.000 0.142 0.000 1.266 52 I HN 0.734 nan 8.210 nan 0.000 0.434 53 G N 5.505 114.519 108.800 0.357 0.000 2.416 53 G HA2 0.596 4.542 3.960 -0.024 0.000 0.329 53 G HA3 0.596 4.542 3.960 -0.024 0.000 0.329 53 G C -0.732 174.102 174.900 -0.110 0.000 1.173 53 G CA -0.153 44.873 45.100 -0.124 0.000 0.929 53 G HN 0.468 nan 8.290 nan 0.000 0.475 54 L N 2.337 123.489 121.223 -0.117 0.000 3.556 54 L HA 0.411 4.736 4.340 -0.024 0.000 0.346 54 L C -2.276 174.551 176.870 -0.072 0.000 1.340 54 L CA -0.655 54.146 54.840 -0.066 0.000 0.962 54 L CB 0.821 42.871 42.059 -0.015 0.000 1.384 54 L HN 0.585 nan 8.230 nan 0.000 0.615 74 Q N 5.125 124.714 119.800 -0.353 0.000 2.771 74 Q HA 0.298 4.624 4.340 -0.024 0.000 0.247 74 Q C -1.400 174.542 176.000 -0.098 0.000 0.986 74 Q CA -0.591 55.101 55.803 -0.185 0.000 0.713 74 Q CB 1.351 30.036 28.738 -0.089 0.000 1.241 74 Q HN 0.605 nan 8.270 nan 0.000 0.488 75 W N 3.220 124.512 121.300 -0.014 0.000 2.385 75 W HA -0.050 4.598 4.660 -0.021 0.000 0.336 75 W C 0.885 177.396 176.519 -0.014 0.000 1.351 75 W CA -0.369 56.967 57.345 -0.016 0.000 1.295 75 W CB 0.539 29.990 29.460 -0.016 0.000 1.239 75 W HN 0.241 nan 8.180 nan 0.000 0.565 76 Q N 4.259 124.234 119.800 0.292 0.000 2.394 76 Q HA 0.004 4.330 4.340 -0.024 0.000 0.248 76 Q C -1.303 174.766 176.000 0.116 0.000 0.992 76 Q CA -0.897 54.995 55.803 0.149 0.000 0.888 76 Q CB 0.348 29.153 28.738 0.112 0.000 1.257 76 Q HN 0.305 nan 8.270 nan 0.000 0.462 77 P HA -0.105 nan 4.420 nan 0.000 0.217 77 P C -0.292 177.014 177.300 0.010 0.000 1.154 77 P CA 1.398 64.522 63.100 0.040 0.000 0.841 77 P CB 0.293 32.011 31.700 0.030 0.000 0.788 78 K N -0.358 120.047 120.400 0.007 0.000 2.166 78 K HA 0.506 4.811 4.320 -0.024 0.000 0.245 78 K C -0.452 176.136 176.600 -0.021 0.000 0.967 78 K CA -1.020 55.260 56.287 -0.012 0.000 0.863 78 K CB 1.119 33.613 32.500 -0.010 0.000 1.107 78 K HN -0.153 nan 8.250 nan 0.000 0.436 79 L N 1.527 122.726 121.223 -0.040 0.000 2.380 79 L HA 0.282 4.608 4.340 -0.024 0.000 0.273 79 L C 0.161 177.012 176.870 -0.033 0.000 1.138 79 L CA -0.417 54.391 54.840 -0.053 0.000 0.832 79 L CB 1.072 43.086 42.059 -0.075 0.000 1.124 79 L HN 0.807 nan 8.230 nan 0.000 0.454 80 A N 2.726 125.529 122.820 -0.028 0.000 2.306 80 A HA 0.740 5.046 4.320 -0.024 0.000 0.314 80 A C 0.084 177.657 177.584 -0.018 0.000 1.164 80 A CA -0.572 51.458 52.037 -0.012 0.000 0.822 80 A CB 1.070 20.073 19.000 0.005 0.000 1.130 80 A HN 0.777 nan 8.150 nan 0.000 0.496 81 A N 2.040 124.855 122.820 -0.008 0.000 2.475 81 A HA 0.424 4.730 4.320 -0.024 0.000 0.293 81 A C 1.435 179.024 177.584 0.008 0.000 1.252 81 A CA 0.308 52.344 52.037 -0.003 0.000 0.920 81 A CB -0.600 18.404 19.000 0.007 0.000 1.125 81 A HN 1.821 nan 8.150 nan 0.000 0.528 82 S N 1.586 117.286 115.700 0.001 0.000 2.440 82 S HA -0.225 4.231 4.470 -0.024 0.000 0.238 82 S C 1.741 176.364 174.600 0.040 0.000 1.010 82 S CA 1.532 59.740 58.200 0.014 0.000 0.972 82 S CB -1.293 61.905 63.200 -0.004 0.000 0.774 82 S HN 1.399 nan 8.310 nan 0.000 0.501 83 C N 0.792 120.122 119.300 0.050 0.000 2.514 83 C HA 0.432 4.877 4.460 -0.024 0.000 0.271 83 C C 1.932 176.959 174.990 0.061 0.000 1.399 83 C CA 0.120 59.181 59.018 0.071 0.000 1.765 83 C CB -1.350 26.443 27.740 0.087 0.000 1.893 83 C HN 0.648 nan 8.230 nan 0.000 0.531 84 V N -1.903 118.039 119.914 0.047 0.000 3.346 84 V HA 0.325 4.430 4.120 -0.024 0.000 0.309 84 V C 0.181 176.297 176.094 0.037 0.000 1.457 84 V CA 0.229 62.555 62.300 0.043 0.000 1.069 84 V CB -0.908 30.938 31.823 0.038 0.000 0.944 84 V HN 0.415 nan 8.190 nan 0.000 0.449 85 T N 2.941 117.517 114.554 0.037 0.000 2.767 85 T HA 0.779 5.115 4.350 -0.024 0.000 0.288 85 T C 0.507 175.232 174.700 0.041 0.000 0.963 85 T CA 0.506 62.627 62.100 0.034 0.000 1.019 85 T CB 1.465 70.351 68.868 0.030 0.000 0.923 85 T HN 0.736 nan 8.240 nan 0.000 0.468 86 A N 2.868 125.712 122.820 0.040 0.000 2.327 86 A HA 0.617 4.922 4.320 -0.024 0.000 0.255 86 A C 0.508 178.118 177.584 0.043 0.000 1.099 86 A CA -0.670 51.394 52.037 0.044 0.000 0.801 86 A CB 0.108 19.131 19.000 0.039 0.000 1.062 86 A HN 0.933 nan 8.150 nan 0.000 0.496 87 V N -1.453 118.488 119.914 0.046 0.000 2.427 87 V HA 0.785 4.890 4.120 -0.024 0.000 0.286 87 V C 0.273 176.384 176.094 0.029 0.000 1.034 87 V CA -0.273 62.052 62.300 0.041 0.000 0.893 87 V CB 0.498 32.351 31.823 0.051 0.000 0.982 87 V HN 1.430 nan 8.190 nan 0.000 0.452 88 A N 3.021 125.855 122.820 0.023 0.000 2.294 88 A HA 0.562 4.868 4.320 -0.024 0.000 0.330 88 A C 0.007 177.595 177.584 0.008 0.000 1.133 88 A CA -0.654 51.391 52.037 0.013 0.000 0.836 88 A CB 0.777 19.783 19.000 0.010 0.000 1.190 88 A HN 0.932 nan 8.150 nan 0.000 0.492 89 D N 0.650 121.051 120.400 0.002 0.000 2.488 89 D HA 0.325 4.951 4.640 -0.024 0.000 0.238 89 D C 1.190 177.485 176.300 -0.008 0.000 1.138 89 D CA 2.114 56.112 54.000 -0.003 0.000 0.873 89 D CB 0.447 41.244 40.800 -0.006 0.000 1.183 89 D HN 1.228 nan 8.370 nan 0.000 0.458 90 G N 3.444 112.239 108.800 -0.009 0.000 2.359 90 G HA2 -0.260 3.685 3.960 -0.024 0.000 0.298 90 G HA3 -0.260 3.685 3.960 -0.024 0.000 0.298 90 G C 0.108 174.992 174.900 -0.026 0.000 1.030 90 G CA 0.717 45.805 45.100 -0.019 0.000 1.149 90 G HN 0.550 nan 8.290 nan 0.000 0.512 91 M N 0.681 120.274 119.600 -0.013 0.000 2.456 91 M HA 0.720 5.185 4.480 -0.024 0.000 0.324 91 M C -0.438 175.860 176.300 -0.005 0.000 1.124 91 M CA -0.885 54.408 55.300 -0.010 0.000 0.959 91 M CB 2.176 34.783 32.600 0.012 0.000 1.692 91 M HN 0.022 nan 8.290 nan 0.000 0.444 92 V N 4.426 124.334 119.914 -0.011 0.000 2.547 92 V HA 0.626 4.731 4.120 -0.024 0.000 0.299 92 V C -0.702 175.474 176.094 0.137 0.000 1.040 92 V CA -0.681 61.633 62.300 0.024 0.000 0.913 92 V CB 1.732 33.516 31.823 -0.066 0.000 0.992 92 V HN 0.721 nan 8.190 nan 0.000 0.449 93 V N 2.753 122.737 119.914 0.117 0.000 2.447 93 V HA 0.372 4.477 4.120 -0.024 0.000 0.292 93 V C -0.812 175.302 176.094 0.033 0.000 1.021 93 V CA -0.618 61.734 62.300 0.087 0.000 0.850 93 V CB 1.625 33.451 31.823 0.005 0.000 1.005 93 V HN 0.990 nan 8.190 nan 0.000 0.426 94 D N 3.105 123.518 120.400 0.022 0.000 2.274 94 D HA 0.440 5.065 4.640 -0.024 0.000 0.239 94 D C 0.963 177.170 176.300 -0.155 0.000 1.104 94 D CA 0.126 54.071 54.000 -0.091 0.000 0.840 94 D CB 2.088 42.791 40.800 -0.160 0.000 1.100 94 D HN 0.644 nan 8.370 nan 0.000 0.477 95 T N 0.961 115.415 114.554 -0.166 0.000 3.085 95 T HA 0.164 4.500 4.350 -0.024 0.000 0.264 95 T C 1.001 175.650 174.700 -0.087 0.000 1.019 95 T CA -0.190 61.825 62.100 -0.143 0.000 0.910 95 T CB -0.134 68.638 68.868 -0.159 0.000 1.059 95 T HN 0.329 nan 8.240 nan 0.000 0.542 96 L N 0.600 121.774 121.223 -0.082 0.000 2.749 96 L HA 0.451 4.777 4.340 -0.024 0.000 0.242 96 L C 1.083 177.939 176.870 -0.023 0.000 1.103 96 L CA -0.106 54.719 54.840 -0.026 0.000 0.906 96 L CB 0.204 42.259 42.059 -0.008 0.000 1.228 96 L HN 0.066 nan 8.230 nan 0.000 0.517 97 S N 0.826 116.484 115.700 -0.070 0.000 2.554 97 S HA -0.110 4.346 4.470 -0.024 0.000 0.290 97 S C 0.929 175.514 174.600 -0.025 0.000 1.309 97 S CA -0.131 58.026 58.200 -0.072 0.000 1.047 97 S CB 0.382 63.484 63.200 -0.165 0.000 0.828 97 S HN 0.251 nan 8.310 nan 0.000 0.509 98 D N 1.746 122.156 120.400 0.016 0.000 2.271 98 D HA -0.104 4.522 4.640 -0.024 0.000 0.207 98 D C 1.783 178.082 176.300 -0.002 0.000 0.983 98 D CA 0.835 54.889 54.000 0.091 0.000 0.878 98 D CB -0.023 40.845 40.800 0.113 0.000 0.920 98 D HN 0.292 nan 8.370 nan 0.000 0.479 99 V N 0.176 120.044 119.914 -0.075 0.000 2.346 99 V HA -0.164 3.942 4.120 -0.024 0.000 0.244 99 V C 2.606 178.611 176.094 -0.148 0.000 1.037 99 V CA 0.732 62.955 62.300 -0.128 0.000 1.029 99 V CB -0.309 31.416 31.823 -0.163 0.000 0.663 99 V HN 0.029 nan 8.190 nan 0.000 0.454 100 V N 0.094 119.923 119.914 -0.142 0.000 2.214 100 V HA -0.289 3.816 4.120 -0.024 0.000 0.245 100 V C 2.614 178.643 176.094 -0.109 0.000 1.047 100 V CA 2.316 64.538 62.300 -0.131 0.000 0.998 100 V CB -0.751 30.998 31.823 -0.123 0.000 0.633 100 V HN 0.425 nan 8.190 nan 0.000 0.446 101 R N -0.457 120.019 120.500 -0.040 0.000 2.117 101 R HA -0.245 4.081 4.340 -0.024 0.000 0.243 101 R C 2.378 178.592 176.300 -0.144 0.000 1.143 101 R CA 1.913 58.031 56.100 0.030 0.000 0.968 101 R CB -0.370 30.050 30.300 0.200 0.000 0.863 101 R HN 0.735 nan 8.270 nan 0.000 0.444 102 E N 0.494 120.442 120.200 -0.420 0.000 2.077 102 E HA -0.179 4.156 4.350 -0.024 0.000 0.193 102 E C 1.896 178.207 176.600 -0.482 0.000 0.989 102 E CA 1.180 57.014 56.400 -0.944 0.000 0.800 102 E CB -0.039 29.164 29.700 -0.828 0.000 0.746 102 E HN 0.337 nan 8.360 nan 0.000 0.452 103 A N 0.845 123.492 122.820 -0.289 0.000 1.877 103 A HA -0.251 4.054 4.320 -0.024 0.000 0.216 103 A C 2.131 179.612 177.584 -0.171 0.000 1.186 103 A CA 1.721 53.642 52.037 -0.195 0.000 0.620 103 A CB -0.640 18.275 19.000 -0.142 0.000 0.822 103 A HN 0.365 nan 8.150 nan 0.000 0.443 104 Q N -0.633 119.073 119.800 -0.157 0.000 1.956 104 Q HA -0.195 4.130 4.340 -0.024 0.000 0.208 104 Q C 2.463 178.397 176.000 -0.110 0.000 0.998 104 Q CA 1.767 57.489 55.803 -0.135 0.000 0.855 104 Q CB -0.506 28.164 28.738 -0.113 0.000 0.928 104 Q HN 0.660 nan 8.270 nan 0.000 0.418 105 A N 0.837 123.608 122.820 -0.081 0.000 1.997 105 A HA -0.228 4.078 4.320 -0.024 0.000 0.221 105 A C 2.224 179.719 177.584 -0.149 0.000 1.172 105 A CA 1.967 53.969 52.037 -0.057 0.000 0.645 105 A CB -1.345 17.656 19.000 0.002 0.000 0.813 105 A HN 0.559 nan 8.150 nan 0.000 0.454 106 G N -1.541 107.113 108.800 -0.243 0.000 2.402 106 G HA2 -0.130 3.816 3.960 -0.024 0.000 0.216 106 G HA3 -0.130 3.816 3.960 -0.024 0.000 0.216 106 G C 1.439 176.067 174.900 -0.453 0.000 1.162 106 G CA 1.312 46.173 45.100 -0.397 0.000 0.777 106 G HN 0.412 nan 8.290 nan 0.000 0.539 107 M N 0.433 119.918 119.600 -0.191 0.000 2.319 107 M HA 0.135 4.601 4.480 -0.024 0.000 0.265 107 M C 2.369 178.673 176.300 0.007 0.000 1.068 107 M CA 0.607 55.900 55.300 -0.012 0.000 1.118 107 M CB -0.080 32.520 32.600 0.001 0.000 1.395 107 M HN 0.040 nan 8.290 nan 0.000 0.435 108 V N -0.248 119.639 119.914 -0.044 0.000 2.548 108 V HA -0.212 3.894 4.120 -0.024 0.000 0.249 108 V C 2.205 178.317 176.094 0.030 0.000 1.055 108 V CA 1.910 64.227 62.300 0.028 0.000 1.065 108 V CB -0.717 31.127 31.823 0.035 0.000 0.681 108 V HN 0.597 nan 8.190 nan 0.000 0.462 109 E N -0.171 119.982 120.200 -0.079 0.000 2.112 109 E HA -0.182 4.154 4.350 -0.024 0.000 0.190 109 E C 2.060 178.650 176.600 -0.017 0.000 0.979 109 E CA 1.146 57.492 56.400 -0.090 0.000 0.814 109 E CB -0.173 29.398 29.700 -0.215 0.000 0.762 109 E HN 0.475 nan 8.360 nan 0.000 0.460 110 F N 1.473 121.431 119.950 0.013 0.000 2.216 110 F HA -0.111 4.405 4.527 -0.017 0.000 0.300 110 F C 2.427 178.226 175.800 -0.002 0.000 1.085 110 F CA 1.432 59.425 58.000 -0.012 0.000 1.326 110 F CB -0.974 38.017 39.000 -0.015 0.000 1.027 110 F HN 0.066 nan 8.300 nan 0.000 0.497 111 T N 0.589 115.281 114.554 0.231 0.000 2.639 111 T HA -0.123 4.213 4.350 -0.024 0.000 0.261 111 T C 2.153 176.932 174.700 0.133 0.000 1.053 111 T CA 1.091 63.309 62.100 0.197 0.000 1.158 111 T CB -0.650 68.387 68.868 0.283 0.000 0.863 111 T HN 0.146 nan 8.240 nan 0.000 0.413 112 L N 1.147 122.426 121.223 0.093 0.000 2.633 112 L HA 0.034 4.359 4.340 -0.024 0.000 0.235 112 L C 2.262 179.170 176.870 0.063 0.000 1.163 112 L CA 0.137 55.014 54.840 0.061 0.000 0.859 112 L CB -0.669 41.416 42.059 0.044 0.000 0.973 112 L HN 0.212 nan 8.230 nan 0.000 0.451 113 L N 0.293 121.517 121.223 0.002 0.000 1.989 113 L HA -0.205 4.120 4.340 -0.024 0.000 0.211 113 L C 1.948 178.622 176.870 -0.326 0.000 1.071 113 L CA 1.882 56.598 54.840 -0.207 0.000 0.749 113 L CB -0.237 41.675 42.059 -0.245 0.000 0.890 113 L HN 0.302 nan 8.230 nan 0.000 0.431 114 N N -2.070 116.537 118.700 -0.154 0.000 2.236 114 N HA 0.010 4.736 4.740 -0.024 0.000 0.196 114 N C -0.243 175.296 175.510 0.049 0.000 1.114 114 N CA -0.001 52.993 53.050 -0.093 0.000 0.859 114 N CB -0.132 38.307 38.487 -0.081 0.000 0.982 114 N HN 0.441 nan 8.380 nan 0.000 0.493 115 H N 1.704 120.781 119.070 0.013 0.000 2.757 115 H HA 0.072 4.613 4.556 -0.024 0.000 0.370 115 H C -1.023 174.349 175.328 0.074 0.000 1.172 115 H CA -0.488 55.591 56.048 0.053 0.000 1.426 115 H CB 1.269 31.064 29.762 0.055 0.000 1.438 115 H HN 0.003 nan 8.280 nan 0.000 0.612 116 P HA 0.003 nan 4.420 nan 0.000 0.220 116 P C -0.370 177.006 177.300 0.126 0.000 1.154 116 P CA 0.679 63.804 63.100 0.041 0.000 0.830 116 P CB 1.228 32.897 31.700 -0.052 0.000 0.803 117 L N -0.306 121.024 121.223 0.178 0.000 3.266 117 L HA -0.081 4.245 4.340 -0.024 0.000 0.514 117 L C -0.430 176.511 176.870 0.118 0.000 1.298 117 L CA -0.089 54.842 54.840 0.150 0.000 0.913 117 L CB -1.806 40.326 42.059 0.121 0.000 1.885 117 L HN -0.010 nan 8.230 nan 0.000 0.735 118 D N -1.519 118.960 120.400 0.132 0.000 2.433 118 D HA 0.178 4.803 4.640 -0.024 0.000 0.211 118 D C 1.654 178.015 176.300 0.102 0.000 1.114 118 D CA 0.295 54.359 54.000 0.106 0.000 0.837 118 D CB 0.232 41.096 40.800 0.106 0.000 0.984 118 D HN 0.479 nan 8.370 nan 0.000 0.505 119 C N 1.829 121.197 119.300 0.113 0.000 2.369 119 C HA -0.190 4.255 4.460 -0.024 0.000 0.273 119 C C -0.138 174.907 174.990 0.091 0.000 1.172 119 C CA 0.953 60.036 59.018 0.107 0.000 1.791 119 C CB -1.438 26.360 27.740 0.096 0.000 2.086 119 C HN 0.374 nan 8.230 nan 0.000 0.459 120 P HA -0.058 nan 4.420 nan 0.000 0.216 120 P C 1.582 178.889 177.300 0.012 0.000 1.153 120 P CA 1.795 64.927 63.100 0.052 0.000 0.844 120 P CB -0.311 31.409 31.700 0.035 0.000 0.787 121 T N -1.347 113.212 114.554 0.009 0.000 3.014 121 T HA 0.002 4.338 4.350 -0.024 0.000 0.263 121 T C 0.836 175.533 174.700 -0.005 0.000 1.078 121 T CA 0.110 62.189 62.100 -0.035 0.000 1.135 121 T CB -0.617 68.257 68.868 0.010 0.000 0.895 121 T HN 0.125 nan 8.240 nan 0.000 0.480 122 C N 2.659 121.997 119.300 0.064 0.000 2.653 122 C HA 0.139 4.585 4.460 -0.024 0.000 0.421 122 C C 1.672 176.717 174.990 0.093 0.000 1.334 122 C CA -0.585 58.499 59.018 0.111 0.000 1.885 122 C CB -0.258 27.556 27.740 0.124 0.000 2.645 122 C HN 0.405 nan 8.230 nan 0.000 0.601 123 D N 1.875 122.361 120.400 0.142 0.000 2.363 123 D HA 0.004 4.630 4.640 -0.024 0.000 0.220 123 D C 1.631 177.977 176.300 0.077 0.000 0.994 123 D CA 0.717 54.786 54.000 0.114 0.000 0.890 123 D CB 0.068 40.995 40.800 0.211 0.000 0.906 123 D HN 0.508 nan 8.370 nan 0.000 0.530 124 K N 0.390 120.846 120.400 0.093 0.000 2.505 124 K HA 0.100 4.405 4.320 -0.024 0.000 0.192 124 K C 1.230 177.890 176.600 0.101 0.000 1.025 124 K CA 0.108 56.448 56.287 0.088 0.000 1.086 124 K CB -0.453 32.104 32.500 0.096 0.000 0.840 124 K HN 0.161 nan 8.250 nan 0.000 0.514 125 G N 0.622 109.486 108.800 0.107 0.000 2.607 125 G HA2 -0.363 3.583 3.960 -0.024 0.000 0.664 125 G HA3 -0.363 3.583 3.960 -0.024 0.000 0.664 125 G C 0.975 176.025 174.900 0.249 0.000 1.264 125 G CA 0.865 46.074 45.100 0.182 0.000 0.906 125 G HN 0.407 nan 8.290 nan 0.000 0.599 126 G N -0.487 108.538 108.800 0.376 0.000 2.985 126 G HA2 0.473 4.418 3.960 -0.024 0.000 0.209 126 G HA3 0.473 4.418 3.960 -0.024 0.000 0.209 126 G C 1.035 176.052 174.900 0.195 0.000 1.165 126 G CA 1.123 46.408 45.100 0.308 0.000 0.776 126 G HN 1.501 nan 8.290 nan 0.000 0.541 127 A N -0.190 122.726 122.820 0.160 0.000 2.577 127 A HA 0.407 4.713 4.320 -0.024 0.000 0.280 127 A C 0.535 178.171 177.584 0.086 0.000 1.331 127 A CA -0.350 51.751 52.037 0.107 0.000 0.935 127 A CB -0.638 18.410 19.000 0.080 0.000 1.082 127 A HN 0.385 nan 8.150 nan 0.000 0.525 128 C N 0.936 120.293 119.300 0.095 0.000 2.239 128 C HA 0.416 4.861 4.460 -0.024 0.000 0.323 128 C C 1.326 176.367 174.990 0.085 0.000 1.205 128 C CA -0.450 58.615 59.018 0.077 0.000 1.584 128 C CB -0.782 27.006 27.740 0.081 0.000 2.201 128 C HN 0.763 nan 8.230 nan 0.000 0.475 129 E N 2.551 122.801 120.200 0.083 0.000 2.169 129 E HA -0.307 4.029 4.350 -0.024 0.000 0.202 129 E C 1.649 178.382 176.600 0.222 0.000 1.016 129 E CA 1.411 57.904 56.400 0.155 0.000 0.817 129 E CB -0.171 29.623 29.700 0.158 0.000 0.736 129 E HN 0.823 nan 8.360 nan 0.000 0.462 130 L N 1.289 122.539 121.223 0.046 0.000 2.046 130 L HA -0.202 4.124 4.340 -0.024 0.000 0.208 130 L C 2.349 179.307 176.870 0.146 0.000 1.077 130 L CA 1.799 56.667 54.840 0.046 0.000 0.747 130 L CB -0.353 41.584 42.059 -0.203 0.000 0.896 130 L HN 0.047 nan 8.230 nan 0.000 0.432 131 Q N -0.544 119.305 119.800 0.082 0.000 2.061 131 Q HA -0.236 4.089 4.340 -0.024 0.000 0.204 131 Q C 1.816 177.880 176.000 0.108 0.000 0.984 131 Q CA 2.070 57.921 55.803 0.081 0.000 0.846 131 Q CB -0.134 28.649 28.738 0.076 0.000 0.902 131 Q HN 0.596 nan 8.270 nan 0.000 0.421 132 D N -0.268 120.210 120.400 0.130 0.000 2.117 132 D HA -0.116 4.509 4.640 -0.024 0.000 0.198 132 D C 1.787 178.176 176.300 0.149 0.000 0.982 132 D CA 0.964 55.038 54.000 0.122 0.000 0.828 132 D CB -0.096 40.781 40.800 0.128 0.000 0.967 132 D HN -0.016 nan 8.370 nan 0.000 0.464 133 R N -0.300 120.344 120.500 0.240 0.000 2.189 133 R HA 0.068 4.394 4.340 -0.024 0.000 0.218 133 R C 1.979 178.421 176.300 0.236 0.000 1.074 133 R CA 0.940 57.212 56.100 0.287 0.000 0.991 133 R CB -0.285 30.188 30.300 0.289 0.000 0.883 133 R HN 0.079 nan 8.270 nan 0.000 0.457 134 T N -1.101 113.565 114.554 0.185 0.000 2.978 134 T HA -0.004 4.331 4.350 -0.024 0.000 0.262 134 T C 1.533 176.289 174.700 0.093 0.000 1.063 134 T CA 0.931 63.113 62.100 0.138 0.000 1.140 134 T CB 0.083 69.019 68.868 0.113 0.000 0.886 134 T HN 0.010 nan 8.240 nan 0.000 0.470 135 V N 0.859 120.814 119.914 0.069 0.000 3.052 135 V HA 0.059 4.164 4.120 -0.024 0.000 0.254 135 V C 2.051 178.130 176.094 -0.025 0.000 1.100 135 V CA 1.158 63.477 62.300 0.032 0.000 1.112 135 V CB -0.097 31.743 31.823 0.028 0.000 0.738 135 V HN 0.458 nan 8.190 nan 0.000 0.469 136 E N -0.687 119.476 120.200 -0.061 0.000 2.021 136 E HA -0.109 4.226 4.350 -0.024 0.000 0.189 136 E C 1.363 177.747 176.600 -0.360 0.000 0.980 136 E CA 1.523 57.754 56.400 -0.281 0.000 0.803 136 E CB -0.042 29.397 29.700 -0.434 0.000 0.766 136 E HN 0.745 nan 8.360 nan 0.000 0.449 137 Y N -0.365 119.940 120.300 0.009 0.000 2.481 137 Y HA 0.309 4.844 4.550 -0.026 0.000 0.247 137 Y C 1.004 176.908 175.900 0.006 0.000 1.151 137 Y CA -0.321 57.778 58.100 -0.002 0.000 1.238 137 Y CB 1.129 39.568 38.460 -0.035 0.000 1.179 137 Y HN -0.022 nan 8.280 nan 0.000 0.524 138 G N -0.374 108.503 108.800 0.128 0.000 2.671 138 G HA2 0.461 4.406 3.960 -0.024 0.000 0.275 138 G HA3 0.461 4.406 3.960 -0.024 0.000 0.275 138 G C -0.291 174.652 174.900 0.071 0.000 1.368 138 G CA -0.853 44.301 45.100 0.090 0.000 1.044 138 G HN 0.179 nan 8.290 nan 0.000 0.543 139 L N -0.125 121.130 121.223 0.054 0.000 3.677 139 L HA -0.201 4.124 4.340 -0.024 0.000 0.593 139 L C -0.519 176.364 176.870 0.023 0.000 1.057 139 L CA -0.182 54.669 54.840 0.018 0.000 0.993 139 L CB -1.085 40.963 42.059 -0.019 0.000 1.143 139 L HN 0.622 nan 8.230 nan 0.000 0.745 140 Y N 3.000 123.246 120.300 -0.091 0.000 2.309 140 Y HA 0.233 4.765 4.550 -0.030 0.000 0.327 140 Y C 0.839 176.653 175.900 -0.143 0.000 1.172 140 Y CA -0.322 57.721 58.100 -0.095 0.000 1.280 140 Y CB 0.868 39.277 38.460 -0.085 0.000 1.234 140 Y HN 0.359 nan 8.280 nan 0.000 0.512 141 E N 6.149 125.912 120.200 -0.728 0.000 2.001 141 E HA 0.142 4.478 4.350 -0.024 0.000 0.279 141 E C -1.001 174.995 176.600 -1.007 0.000 1.045 141 E CA -0.704 55.257 56.400 -0.731 0.000 0.833 141 E CB 0.195 29.588 29.700 -0.511 0.000 1.077 141 E HN 0.557 nan 8.360 nan 0.000 0.397 142 K N 3.140 123.105 120.400 -0.725 0.000 2.258 142 K HA 0.303 4.608 4.320 -0.024 0.000 0.284 142 K C -0.928 175.385 176.600 -0.478 0.000 1.051 142 K CA -0.198 55.824 56.287 -0.441 0.000 0.923 142 K CB 0.884 33.307 32.500 -0.129 0.000 1.046 142 K HN 0.322 nan 8.250 nan 0.000 0.474 151 L N 5.654 126.859 121.223 -0.030 0.000 2.806 151 L HA -0.008 4.318 4.340 -0.024 0.000 0.282 151 L C -1.927 174.900 176.870 -0.071 0.000 1.166 151 L CA -0.392 54.427 54.840 -0.036 0.000 0.969 151 L CB -0.298 41.753 42.059 -0.014 0.000 1.304 151 L HN 0.201 nan 8.230 nan 0.000 0.474 152 P HA 0.158 nan 4.420 nan 0.000 0.278 152 P C -0.738 176.440 177.300 -0.203 0.000 1.238 152 P CA -0.365 62.610 63.100 -0.207 0.000 0.794 152 P CB 1.426 32.923 31.700 -0.339 0.000 0.955 153 V N 3.598 123.410 119.914 -0.171 0.000 2.370 153 V HA 0.089 4.195 4.120 -0.024 0.000 0.279 153 V C 0.568 176.616 176.094 -0.077 0.000 1.029 153 V CA -0.038 62.215 62.300 -0.077 0.000 0.870 153 V CB 0.627 32.434 31.823 -0.026 0.000 0.984 153 V HN 0.505 nan 8.190 nan 0.000 0.451 154 Y N 2.687 122.994 120.300 0.012 0.000 2.343 154 Y HA 0.129 4.674 4.550 -0.009 0.000 0.294 154 Y C 1.594 177.514 175.900 0.034 0.000 1.122 154 Y CA 1.020 59.132 58.100 0.019 0.000 1.173 154 Y CB 0.508 38.980 38.460 0.020 0.000 1.077 154 Y HN 0.540 nan 8.280 nan 0.000 0.542 155 T N 0.431 115.111 114.554 0.209 0.000 2.841 155 T HA 0.327 4.662 4.350 -0.024 0.000 0.285 155 T C 0.578 175.353 174.700 0.126 0.000 0.991 155 T CA -0.644 61.553 62.100 0.162 0.000 0.966 155 T CB 0.925 69.891 68.868 0.164 0.000 0.962 155 T HN 0.067 nan 8.240 nan 0.000 0.438 156 R N 2.865 123.446 120.500 0.136 0.000 2.075 156 R HA 0.116 4.442 4.340 -0.024 0.000 0.220 156 R C 0.660 177.059 176.300 0.165 0.000 1.118 156 R CA 0.207 56.381 56.100 0.123 0.000 0.986 156 R CB -0.339 30.034 30.300 0.120 0.000 0.884 156 R HN 0.602 nan 8.270 nan 0.000 0.439 157 F N 4.332 124.343 119.950 0.102 0.000 2.571 157 F HA -0.079 4.430 4.527 -0.030 0.000 0.390 157 F C 0.595 176.435 175.800 0.066 0.000 1.043 157 F CA 0.226 58.324 58.000 0.162 0.000 1.164 157 F CB 0.353 39.469 39.000 0.193 0.000 1.049 157 F HN 0.110 nan 8.300 nan 0.000 0.552 158 E N 5.649 125.522 120.200 -0.546 0.000 3.646 158 E HA 0.230 4.565 4.350 -0.024 0.000 0.211 158 E C -1.175 174.839 176.600 -0.976 0.000 1.034 158 E CA -0.357 55.688 56.400 -0.592 0.000 1.341 158 E CB -0.006 29.433 29.700 -0.435 0.000 1.202 158 E HN 0.417 nan 8.360 nan 0.000 0.447 159 F N 0.105 119.534 119.950 -0.868 0.000 2.732 159 F HA 0.419 4.935 4.527 -0.019 0.000 0.394 159 F C 0.729 176.433 175.800 -0.160 0.000 1.194 159 F CA -1.288 56.379 58.000 -0.555 0.000 1.127 159 F CB 1.045 39.618 39.000 -0.711 0.000 1.470 159 F HN -0.237 nan 8.300 nan 0.000 0.505 160 T N 2.099 116.784 114.554 0.219 0.000 2.737 160 T HA 0.319 4.655 4.350 -0.024 0.000 0.296 160 T C 0.195 175.012 174.700 0.196 0.000 0.922 160 T CA -0.500 61.699 62.100 0.165 0.000 1.079 160 T CB 0.048 68.980 68.868 0.107 0.000 0.892 160 T HN 0.281 nan 8.240 nan 0.000 0.514 161 R N 1.703 122.282 120.500 0.132 0.000 2.863 161 R HA 0.230 4.556 4.340 -0.024 0.000 0.273 161 R C 0.875 177.041 176.300 -0.224 0.000 1.057 161 R CA -0.591 55.548 56.100 0.065 0.000 1.191 161 R CB 0.493 30.848 30.300 0.093 0.000 1.104 161 R HN 0.469 nan 8.270 nan 0.000 0.519 162 R N 1.418 121.854 120.500 -0.108 0.000 2.401 162 R HA 0.017 4.342 4.340 -0.024 0.000 0.299 162 R C -0.820 175.443 176.300 -0.062 0.000 1.064 162 R CA 0.182 56.237 56.100 -0.074 0.000 1.000 162 R CB 0.245 30.557 30.300 0.020 0.000 0.973 162 R HN 0.599 nan 8.270 nan 0.000 0.438 163 H N 3.208 122.320 119.070 0.071 0.000 2.551 163 H HA 0.336 4.877 4.556 -0.025 0.000 0.321 163 H C -0.011 175.318 175.328 0.002 0.000 1.028 163 H CA -0.904 55.166 56.048 0.035 0.000 1.215 163 H CB 1.496 31.282 29.762 0.041 0.000 1.414 163 H HN 0.485 nan 8.280 nan 0.000 0.480 164 V N -0.449 119.518 119.914 0.088 0.000 3.109 164 V HA 0.349 4.455 4.120 -0.024 0.000 0.311 164 V C -0.359 175.675 176.094 -0.100 0.000 1.389 164 V CA -1.274 61.006 62.300 -0.033 0.000 1.034 164 V CB 1.438 33.203 31.823 -0.096 0.000 1.105 164 V HN 0.667 nan 8.190 nan 0.000 0.477 165 D N 0.698 120.988 120.400 -0.184 0.000 2.493 165 D HA 0.276 4.902 4.640 -0.024 0.000 0.240 165 D C -0.297 175.873 176.300 -0.217 0.000 1.142 165 D CA 0.770 54.642 54.000 -0.214 0.000 0.872 165 D CB 0.425 41.055 40.800 -0.285 0.000 1.173 165 D HN 0.736 nan 8.370 nan 0.000 0.467 166 K N 1.309 121.516 120.400 -0.322 0.000 2.443 166 K HA 0.270 4.575 4.320 -0.024 0.000 0.251 166 K C -0.813 175.369 176.600 -0.696 0.000 0.972 166 K CA -1.117 54.919 56.287 -0.418 0.000 0.833 166 K CB 0.979 33.244 32.500 -0.392 0.000 1.317 166 K HN 0.828 nan 8.250 nan 0.000 0.441 167 H N -0.941 118.158 119.070 0.047 0.000 2.506 167 H HA -0.251 4.290 4.556 -0.025 0.000 0.323 167 H C -1.333 174.033 175.328 0.063 0.000 1.076 167 H CA 1.229 57.299 56.048 0.037 0.000 1.108 167 H CB -2.307 27.458 29.762 0.005 0.000 1.569 167 H HN 0.576 nan 8.280 nan 0.000 0.399 168 H N 1.145 120.223 119.070 0.013 0.000 2.587 168 H HA 0.423 4.965 4.556 -0.024 0.000 0.325 168 H C -2.717 172.625 175.328 0.024 0.000 1.012 168 H CA -2.583 53.474 56.048 0.015 0.000 1.213 168 H CB 1.674 31.420 29.762 -0.026 0.000 1.431 168 H HN 0.243 nan 8.280 nan 0.000 0.492 169 P HA -0.022 nan 4.420 nan 0.000 0.271 169 P C 0.532 177.752 177.300 -0.132 0.000 1.226 169 P CA 0.004 63.017 63.100 -0.146 0.000 0.765 169 P CB 1.600 33.189 31.700 -0.184 0.000 0.835 170 L N 1.623 122.896 121.223 0.083 0.000 2.270 170 L HA 0.023 4.349 4.340 -0.024 0.000 0.210 170 L C 1.419 178.337 176.870 0.082 0.000 1.104 170 L CA 1.039 55.969 54.840 0.150 0.000 0.804 170 L CB -0.197 41.968 42.059 0.178 0.000 0.937 170 L HN 0.534 nan 8.230 nan 0.000 0.450 171 S N -2.045 113.666 115.700 0.017 0.000 2.643 171 S HA 0.372 4.828 4.470 -0.024 0.000 0.270 171 S C -2.502 172.004 174.600 -0.157 0.000 1.166 171 S CA -0.909 57.276 58.200 -0.024 0.000 0.815 171 S CB 1.403 64.644 63.200 0.067 0.000 1.139 171 S HN -0.203 nan 8.310 nan 0.000 0.472 172 P HA 0.226 nan 4.420 nan 0.000 0.252 172 P C 0.014 176.857 177.300 -0.760 0.000 1.265 172 P CA 0.509 63.262 63.100 -0.578 0.000 0.775 172 P CB -0.596 30.625 31.700 -0.798 0.000 1.128 173 F N -1.800 117.991 119.950 -0.264 0.000 2.831 173 F HA 0.196 4.708 4.527 -0.025 0.000 0.334 173 F C 0.631 176.315 175.800 -0.194 0.000 1.071 173 F CA -0.154 57.566 58.000 -0.467 0.000 1.172 173 F CB 1.051 39.276 39.000 -1.290 0.000 1.054 173 F HN -0.372 nan 8.300 nan 0.000 0.572 174 V N 2.123 122.075 119.914 0.064 0.000 2.612 174 V HA 0.392 4.498 4.120 -0.024 0.000 0.301 174 V C -1.046 175.101 176.094 0.089 0.000 1.059 174 V CA -0.925 61.453 62.300 0.130 0.000 0.886 174 V CB 2.813 34.737 31.823 0.169 0.000 1.007 174 V HN 0.053 nan 8.190 nan 0.000 0.426 175 I N 5.556 126.182 120.570 0.093 0.000 2.474 175 I HA 0.632 4.788 4.170 -0.024 0.000 0.294 175 I C -1.353 174.827 176.117 0.104 0.000 1.005 175 I CA -0.968 60.378 61.300 0.076 0.000 1.113 175 I CB 1.783 39.803 38.000 0.033 0.000 1.289 175 I HN 0.602 nan 8.210 nan 0.000 0.436 176 L N 7.942 129.244 121.223 0.133 0.000 2.298 176 L HA 0.515 4.841 4.340 -0.024 0.000 0.284 176 L C -1.023 175.891 176.870 0.074 0.000 1.013 176 L CA 0.013 54.920 54.840 0.112 0.000 0.824 176 L CB 1.173 43.313 42.059 0.134 0.000 1.221 176 L HN 0.487 nan 8.230 nan 0.000 0.418 177 D N 4.212 124.639 120.400 0.047 0.000 2.373 177 D HA 0.275 4.900 4.640 -0.024 0.000 0.227 177 D C 0.677 176.968 176.300 -0.015 0.000 1.091 177 D CA -0.222 53.784 54.000 0.010 0.000 0.840 177 D CB 1.353 42.170 40.800 0.029 0.000 1.060 177 D HN 0.644 nan 8.370 nan 0.000 0.502 178 R N 2.130 122.605 120.500 -0.043 0.000 2.127 178 R HA 0.014 4.339 4.340 -0.024 0.000 0.217 178 R C 1.695 177.978 176.300 -0.029 0.000 1.074 178 R CA 0.492 56.572 56.100 -0.034 0.000 0.991 178 R CB 0.440 30.696 30.300 -0.073 0.000 0.895 178 R HN 0.504 nan 8.270 nan 0.000 0.450 179 E N 0.641 120.813 120.200 -0.047 0.000 2.130 179 E HA -0.212 4.124 4.350 -0.024 0.000 0.196 179 E C 1.874 178.392 176.600 -0.137 0.000 0.998 179 E CA 1.228 57.599 56.400 -0.049 0.000 0.806 179 E CB 0.056 29.736 29.700 -0.034 0.000 0.738 179 E HN 0.276 nan 8.360 nan 0.000 0.459 180 R N -0.043 120.358 120.500 -0.166 0.000 2.200 180 R HA 0.059 4.384 4.340 -0.024 0.000 0.208 180 R C 1.187 177.443 176.300 -0.072 0.000 1.033 180 R CA -0.089 55.838 56.100 -0.289 0.000 1.000 180 R CB -0.292 29.924 30.300 -0.138 0.000 0.906 180 R HN 0.118 nan 8.270 nan 0.000 0.462 181 C N 2.597 121.876 119.300 -0.035 0.000 2.538 181 C HA 0.004 4.450 4.460 -0.024 0.000 0.408 181 C C 1.817 176.823 174.990 0.027 0.000 1.421 181 C CA -0.304 58.697 59.018 -0.030 0.000 1.642 181 C CB -0.601 27.077 27.740 -0.104 0.000 2.553 181 C HN 0.601 nan 8.230 nan 0.000 0.604 182 I N 2.158 122.771 120.570 0.072 0.000 3.914 182 I HA 0.346 4.501 4.170 -0.024 0.000 0.333 182 I C 0.536 176.828 176.117 0.291 0.000 1.449 182 I CA -0.323 61.090 61.300 0.189 0.000 1.135 182 I CB -0.869 37.160 38.000 0.048 0.000 1.073 182 I HN 0.931 nan 8.210 nan 0.000 0.401 183 H N 0.034 119.207 119.070 0.171 0.000 2.822 183 H HA -0.203 4.338 4.556 -0.025 0.000 0.295 183 H C 1.360 176.789 175.328 0.167 0.000 1.151 183 H CA 0.692 56.857 56.048 0.195 0.000 1.151 183 H CB -2.429 27.325 29.762 -0.014 0.000 1.343 183 H HN 0.879 nan 8.280 nan 0.000 0.382 184 C N -0.841 118.608 119.300 0.248 0.000 2.946 184 C HA 0.184 4.630 4.460 -0.024 0.000 0.257 184 C C 1.835 177.009 174.990 0.306 0.000 1.644 184 C CA 0.291 59.439 59.018 0.217 0.000 1.918 184 C CB 0.550 28.382 27.740 0.154 0.000 2.002 184 C HN 0.702 nan 8.230 nan 0.000 0.635 185 K N -1.122 119.425 120.400 0.246 0.000 2.483 185 K HA 0.213 4.518 4.320 -0.024 0.000 0.206 185 K C 2.195 178.899 176.600 0.173 0.000 1.086 185 K CA -0.264 56.200 56.287 0.295 0.000 1.052 185 K CB -0.090 32.585 32.500 0.292 0.000 0.904 185 K HN 0.598 nan 8.250 nan 0.000 0.557 186 R N 0.266 120.845 120.500 0.132 0.000 2.190 186 R HA -0.307 4.018 4.340 -0.024 0.000 0.255 186 R C 2.436 178.779 176.300 0.072 0.000 1.143 186 R CA 2.544 58.700 56.100 0.093 0.000 0.965 186 R CB -0.919 29.415 30.300 0.057 0.000 0.889 186 R HN 0.486 nan 8.270 nan 0.000 0.448 187 C N -0.913 118.398 119.300 0.018 0.000 2.541 187 C HA 0.031 4.476 4.460 -0.024 0.000 0.282 187 C C 2.689 177.677 174.990 -0.004 0.000 1.263 187 C CA 0.430 59.421 59.018 -0.046 0.000 1.709 187 C CB -1.388 26.293 27.740 -0.099 0.000 2.097 187 C HN 0.443 nan 8.230 nan 0.000 0.480 188 V N 1.706 121.614 119.914 -0.010 0.000 2.407 188 V HA -0.177 3.928 4.120 -0.024 0.000 0.248 188 V C 2.781 178.937 176.094 0.104 0.000 1.055 188 V CA 2.465 64.790 62.300 0.042 0.000 1.049 188 V CB -1.127 30.653 31.823 -0.073 0.000 0.662 188 V HN 0.617 nan 8.190 nan 0.000 0.455 189 R N -0.852 119.716 120.500 0.114 0.000 2.097 189 R HA -0.218 4.108 4.340 -0.024 0.000 0.236 189 R C 2.348 178.717 176.300 0.114 0.000 1.135 189 R CA 2.551 58.724 56.100 0.121 0.000 0.934 189 R CB -0.924 29.459 30.300 0.137 0.000 0.846 189 R HN 0.781 nan 8.270 nan 0.000 0.431 190 Y N 0.195 120.485 120.300 -0.017 0.000 2.081 190 Y HA -0.290 4.245 4.550 -0.024 0.000 0.280 190 Y C 1.826 177.695 175.900 -0.052 0.000 1.163 190 Y CA 1.751 59.794 58.100 -0.094 0.000 1.135 190 Y CB -0.666 37.680 38.460 -0.190 0.000 0.970 190 Y HN 0.019 nan 8.280 nan 0.000 0.498 191 F N 1.224 120.993 119.950 -0.302 0.000 2.087 191 F HA -0.251 4.261 4.527 -0.024 0.000 0.299 191 F C 2.571 178.216 175.800 -0.257 0.000 1.100 191 F CA 2.044 59.822 58.000 -0.369 0.000 1.226 191 F CB -1.285 37.643 39.000 -0.119 0.000 0.983 191 F HN 0.425 nan 8.300 nan 0.000 0.479 192 E N 0.043 120.279 120.200 0.059 0.000 2.106 192 E HA -0.183 4.152 4.350 -0.024 0.000 0.192 192 E C 1.790 178.377 176.600 -0.022 0.000 0.984 192 E CA 1.904 58.320 56.400 0.027 0.000 0.806 192 E CB -0.471 29.252 29.700 0.038 0.000 0.750 192 E HN 0.499 nan 8.360 nan 0.000 0.458 193 E N -0.422 119.738 120.200 -0.067 0.000 2.099 193 E HA 0.036 4.371 4.350 -0.024 0.000 0.191 193 E C 1.981 178.498 176.600 -0.138 0.000 0.962 193 E CA 0.836 57.188 56.400 -0.079 0.000 0.826 193 E CB 0.332 30.020 29.700 -0.020 0.000 0.788 193 E HN 0.126 nan 8.360 nan 0.000 0.461 194 V N 1.449 121.198 119.914 -0.276 0.000 2.326 194 V HA -0.047 4.059 4.120 -0.024 0.000 0.237 194 V C -1.176 174.741 176.094 -0.296 0.000 1.044 194 V CA 1.261 63.344 62.300 -0.362 0.000 1.035 194 V CB -0.777 30.679 31.823 -0.611 0.000 0.675 194 V HN 0.197 nan 8.190 nan 0.000 0.470 195 P HA 0.109 nan 4.420 nan 0.000 0.222 195 P C 0.919 178.326 177.300 0.178 0.000 1.157 195 P CA 1.774 64.751 63.100 -0.204 0.000 0.816 195 P CB 0.229 31.797 31.700 -0.219 0.000 0.813 196 G N 0.391 109.254 108.800 0.104 0.000 2.392 196 G HA2 -0.104 3.841 3.960 -0.024 0.000 0.215 196 G HA3 -0.104 3.841 3.960 -0.024 0.000 0.215 196 G C -0.810 174.154 174.900 0.106 0.000 1.097 196 G CA -0.441 44.799 45.100 0.234 0.000 0.840 196 G HN 0.271 nan 8.290 nan 0.000 0.492 197 D N 0.700 121.086 120.400 -0.023 0.000 2.363 197 D HA 0.211 4.837 4.640 -0.024 0.000 0.258 197 D C 0.294 176.426 176.300 -0.281 0.000 1.259 197 D CA -0.409 53.494 54.000 -0.161 0.000 0.921 197 D CB 0.735 41.381 40.800 -0.256 0.000 1.201 197 D HN 0.501 nan 8.370 nan 0.000 0.524 198 E N 0.873 120.987 120.200 -0.144 0.000 2.323 198 E HA 0.042 4.378 4.350 -0.024 0.000 0.313 198 E C 1.260 177.754 176.600 -0.177 0.000 1.236 198 E CA -0.036 56.302 56.400 -0.104 0.000 1.333 198 E CB 0.223 29.902 29.700 -0.034 0.000 1.138 198 E HN 0.212 nan 8.360 nan 0.000 0.492 199 V N -0.320 119.381 119.914 -0.354 0.000 3.177 199 V HA 0.305 4.411 4.120 -0.024 0.000 0.342 199 V C -0.158 175.841 176.094 -0.158 0.000 1.379 199 V CA -0.438 61.664 62.300 -0.330 0.000 1.191 199 V CB -0.361 31.159 31.823 -0.505 0.000 1.167 199 V HN 0.197 nan 8.190 nan 0.000 0.471 200 L N 0.771 121.987 121.223 -0.012 0.000 2.565 200 L HA 0.879 5.204 4.340 -0.024 0.000 0.261 200 L C -1.592 175.261 176.870 -0.028 0.000 0.932 200 L CA 0.110 54.982 54.840 0.053 0.000 0.878 200 L CB 2.046 44.268 42.059 0.271 0.000 1.333 200 L HN 0.330 nan 8.230 nan 0.000 0.409 201 D N 1.398 121.722 120.400 -0.126 0.000 2.665 201 D HA 0.456 5.082 4.640 -0.024 0.000 0.287 201 D C -1.052 175.077 176.300 -0.284 0.000 1.266 201 D CA -0.195 53.694 54.000 -0.185 0.000 0.830 201 D CB 1.370 42.138 40.800 -0.053 0.000 1.356 201 D HN 0.108 nan 8.370 nan 0.000 0.437 202 F N 0.727 120.649 119.950 -0.048 0.000 2.375 202 F HA 0.315 4.827 4.527 -0.024 0.000 0.313 202 F C 1.439 177.099 175.800 -0.234 0.000 1.176 202 F CA -0.426 57.503 58.000 -0.118 0.000 1.142 202 F CB 0.388 39.362 39.000 -0.044 0.000 1.275 202 F HN 0.188 nan 8.300 nan 0.000 0.544 203 I N -0.645 119.774 120.570 -0.252 0.000 4.987 203 I HA 0.129 4.284 4.170 -0.024 0.000 0.240 203 I C 1.170 177.129 176.117 -0.264 0.000 0.946 203 I CA 0.022 61.057 61.300 -0.441 0.000 2.026 203 I CB -1.099 36.273 38.000 -1.046 0.000 1.509 203 I HN 0.510 nan 8.210 nan 0.000 0.472 204 E N 1.914 121.929 120.200 -0.308 0.000 4.556 204 E HA 0.172 4.508 4.350 -0.024 0.000 0.530 204 E C 0.090 176.684 176.600 -0.010 0.000 1.427 204 E CA -0.158 56.208 56.400 -0.057 0.000 3.438 204 E CB 0.359 30.105 29.700 0.076 0.000 1.625 204 E HN 0.364 nan 8.360 nan 0.000 0.559 205 R N -2.029 118.496 120.500 0.042 0.000 2.870 205 R HA 0.590 4.915 4.340 -0.024 0.000 0.262 205 R C 0.287 176.591 176.300 0.007 0.000 1.112 205 R CA -0.370 55.731 56.100 0.002 0.000 0.976 205 R CB 0.466 30.753 30.300 -0.022 0.000 1.261 205 R HN 0.646 nan 8.270 nan 0.000 0.453 206 G N -0.189 108.568 108.800 -0.072 0.000 2.528 206 G HA2 -0.324 3.622 3.960 -0.024 0.000 0.262 206 G HA3 -0.324 3.622 3.960 -0.024 0.000 0.262 206 G C 0.682 175.458 174.900 -0.206 0.000 1.200 206 G CA 0.494 45.515 45.100 -0.131 0.000 0.951 206 G HN 1.339 nan 8.290 nan 0.000 0.566 207 V N -1.786 117.945 119.914 -0.305 0.000 3.510 207 V HA 0.199 4.305 4.120 -0.024 0.000 0.270 207 V C 1.823 177.790 176.094 -0.212 0.000 1.201 207 V CA 2.205 64.314 62.300 -0.319 0.000 1.166 207 V CB -0.508 31.095 31.823 -0.366 0.000 0.825 207 V HN 0.681 nan 8.190 nan 0.000 0.484 208 H N 0.689 119.778 119.070 0.031 0.000 2.595 208 H HA 0.201 4.743 4.556 -0.024 0.000 0.265 208 H C 1.634 177.105 175.328 0.239 0.000 0.953 208 H CA 0.744 56.867 56.048 0.126 0.000 1.197 208 H CB 0.274 30.096 29.762 0.101 0.000 1.438 208 H HN 0.619 nan 8.280 nan 0.000 0.531 209 T N 0.520 115.226 114.554 0.253 0.000 2.903 209 T HA 0.261 4.597 4.350 -0.024 0.000 0.314 209 T C -0.012 174.987 174.700 0.498 0.000 1.078 209 T CA -0.260 61.977 62.100 0.228 0.000 1.114 209 T CB 0.193 69.119 68.868 0.097 0.000 0.987 209 T HN 0.219 nan 8.240 nan 0.000 0.548 210 F N 0.886 121.041 119.950 0.343 0.000 2.713 210 F HA 0.669 5.181 4.527 -0.025 0.000 0.311 210 F C -1.317 174.587 175.800 0.174 0.000 1.141 210 F CA -1.814 56.330 58.000 0.241 0.000 0.939 210 F CB 0.748 39.820 39.000 0.120 0.000 1.325 210 F HN 0.417 nan 8.300 nan 0.000 0.453 211 I N 1.762 122.479 120.570 0.245 0.000 2.519 211 I HA 0.658 4.814 4.170 -0.024 0.000 0.287 211 I C 0.535 176.760 176.117 0.180 0.000 1.047 211 I CA 0.229 61.519 61.300 -0.015 0.000 1.381 211 I CB 0.779 38.702 38.000 -0.129 0.000 1.417 211 I HN 0.960 nan 8.210 nan 0.000 0.540 212 G N 3.529 112.356 108.800 0.045 0.000 2.608 212 G HA2 0.535 4.481 3.960 -0.024 0.000 0.291 212 G HA3 0.535 4.481 3.960 -0.024 0.000 0.291 212 G C -1.430 173.470 174.900 0.000 0.000 1.425 212 G CA -0.258 44.902 45.100 0.101 0.000 0.787 212 G HN 0.532 nan 8.290 nan 0.000 0.484 213 T N -0.788 113.755 114.554 -0.018 0.000 2.883 213 T HA 0.585 4.921 4.350 -0.024 0.000 0.296 213 T C 0.252 174.776 174.700 -0.293 0.000 1.117 213 T CA -0.595 61.420 62.100 -0.140 0.000 1.006 213 T CB 1.678 70.464 68.868 -0.137 0.000 1.191 213 T HN 0.318 nan 8.240 nan 0.000 0.508 214 M N 0.918 120.231 119.600 -0.478 0.000 2.251 214 M HA 0.246 4.712 4.480 -0.024 0.000 0.308 214 M C -0.496 175.139 176.300 -1.109 0.000 0.967 214 M CA 0.346 55.196 55.300 -0.749 0.000 1.103 214 M CB 0.209 32.645 32.600 -0.273 0.000 1.815 214 M HN 0.563 nan 8.290 nan 0.000 0.623 215 D N 0.984 120.984 120.400 -0.668 0.000 2.631 215 D HA 0.154 4.779 4.640 -0.024 0.000 0.227 215 D C 0.781 176.856 176.300 -0.375 0.000 1.146 215 D CA -0.116 53.629 54.000 -0.424 0.000 1.009 215 D CB -0.172 40.481 40.800 -0.245 0.000 1.057 215 D HN 0.021 nan 8.370 nan 0.000 0.509 216 F N 0.975 120.925 119.950 0.001 0.000 2.085 216 F HA -0.226 4.286 4.527 -0.025 0.000 0.299 216 F C 2.753 178.559 175.800 0.010 0.000 1.096 216 F CA 1.272 59.282 58.000 0.016 0.000 1.227 216 F CB -0.866 38.142 39.000 0.014 0.000 0.983 216 F HN 0.387 nan 8.300 nan 0.000 0.482 217 G N 0.069 108.957 108.800 0.147 0.000 2.485 217 G HA2 -0.180 3.765 3.960 -0.024 0.000 0.221 217 G HA3 -0.180 3.765 3.960 -0.024 0.000 0.221 217 G C 0.799 175.738 174.900 0.064 0.000 1.115 217 G CA 0.727 45.878 45.100 0.085 0.000 0.751 217 G HN 0.372 nan 8.290 nan 0.000 0.567 218 L N -0.886 120.350 121.223 0.022 0.000 3.472 218 L HA -0.116 4.209 4.340 -0.024 0.000 0.596 218 L C -0.792 176.070 176.870 -0.013 0.000 1.310 218 L CA 0.217 55.062 54.840 0.007 0.000 0.966 218 L CB -1.561 40.565 42.059 0.111 0.000 1.626 218 L HN 0.199 nan 8.230 nan 0.000 0.865 219 P HA -0.211 nan 4.420 nan 0.000 0.212 219 P C 1.088 178.354 177.300 -0.056 0.000 1.128 219 P CA 2.124 65.186 63.100 -0.064 0.000 0.961 219 P CB 0.028 31.660 31.700 -0.113 0.000 0.782 220 S N -0.998 114.630 115.700 -0.120 0.000 2.540 220 S HA 0.044 4.500 4.470 -0.024 0.000 0.272 220 S C 1.274 175.837 174.600 -0.063 0.000 1.357 220 S CA 0.245 58.399 58.200 -0.077 0.000 1.011 220 S CB -0.006 63.167 63.200 -0.044 0.000 0.852 220 S HN 0.336 nan 8.310 nan 0.000 0.535 221 G N 0.282 108.928 108.800 -0.256 0.000 3.448 221 G HA2 0.441 4.386 3.960 -0.024 0.000 0.261 221 G HA3 0.441 4.386 3.960 -0.024 0.000 0.261 221 G C -0.195 174.283 174.900 -0.704 0.000 1.173 221 G CA -0.363 44.462 45.100 -0.459 0.000 0.835 221 G HN 0.614 nan 8.290 nan 0.000 0.534 222 F N 0.623 120.604 119.950 0.052 0.000 2.810 222 F HA 0.195 4.708 4.527 -0.025 0.000 0.353 222 F C 1.731 177.726 175.800 0.325 0.000 1.227 222 F CA -0.611 57.460 58.000 0.119 0.000 1.210 222 F CB 0.645 39.646 39.000 0.002 0.000 1.039 222 F HN 0.136 nan 8.300 nan 0.000 0.509 223 S N -1.335 114.637 115.700 0.454 0.000 2.558 223 S HA 0.085 4.541 4.470 -0.024 0.000 0.217 223 S C 2.035 176.889 174.600 0.423 0.000 0.975 223 S CA 0.703 59.240 58.200 0.561 0.000 0.912 223 S CB -0.187 63.310 63.200 0.496 0.000 0.776 223 S HN 0.366 nan 8.310 nan 0.000 0.526 224 G N 1.687 110.758 108.800 0.451 0.000 2.623 224 G HA2 -0.034 3.911 3.960 -0.024 0.000 0.214 224 G HA3 -0.034 3.911 3.960 -0.024 0.000 0.214 224 G C 1.345 176.366 174.900 0.203 0.000 1.138 224 G CA 0.097 45.477 45.100 0.468 0.000 0.794 224 G HN 0.495 nan 8.290 nan 0.000 0.535 225 N N 1.189 119.989 118.700 0.166 0.000 2.244 225 N HA -0.089 4.636 4.740 -0.024 0.000 0.183 225 N C 2.346 177.767 175.510 -0.149 0.000 1.016 225 N CA 1.044 54.120 53.050 0.043 0.000 0.866 225 N CB -0.274 38.250 38.487 0.062 0.000 0.980 225 N HN 0.632 nan 8.380 nan 0.000 0.430 226 I N -1.869 118.571 120.570 -0.216 0.000 2.567 226 I HA -0.141 4.014 4.170 -0.024 0.000 0.257 226 I C 1.562 177.636 176.117 -0.072 0.000 1.184 226 I CA 1.112 62.272 61.300 -0.232 0.000 1.451 226 I CB -0.817 37.045 38.000 -0.230 0.000 1.089 226 I HN -0.140 nan 8.210 nan 0.000 0.441 227 T N 1.372 115.935 114.554 0.015 0.000 2.788 227 T HA -0.138 4.197 4.350 -0.024 0.000 0.268 227 T C 1.313 176.021 174.700 0.013 0.000 1.044 227 T CA 2.051 64.184 62.100 0.055 0.000 1.139 227 T CB -0.292 68.651 68.868 0.124 0.000 0.867 227 T HN 0.482 nan 8.240 nan 0.000 0.454 228 D N 0.126 120.516 120.400 -0.017 0.000 2.333 228 D HA 0.187 4.812 4.640 -0.024 0.000 0.208 228 D C 1.846 178.112 176.300 -0.058 0.000 0.984 228 D CA 0.311 54.288 54.000 -0.039 0.000 0.873 228 D CB 0.009 40.773 40.800 -0.060 0.000 0.935 228 D HN 0.419 nan 8.370 nan 0.000 0.521 229 I N -0.067 120.465 120.570 -0.064 0.000 2.385 229 I HA -0.042 4.114 4.170 -0.024 0.000 0.244 229 I C 1.145 177.239 176.117 -0.038 0.000 1.089 229 I CA -0.085 61.177 61.300 -0.063 0.000 1.410 229 I CB -0.185 37.775 38.000 -0.066 0.000 1.117 229 I HN -0.061 nan 8.210 nan 0.000 0.429 230 C N 5.449 124.729 119.300 -0.033 0.000 2.106 230 C HA -0.049 4.396 4.460 -0.024 0.000 0.402 230 C C -0.296 174.684 174.990 -0.018 0.000 1.548 230 C CA -1.000 58.007 59.018 -0.018 0.000 1.432 230 C CB -0.234 27.503 27.740 -0.005 0.000 2.584 230 C HN 0.304 nan 8.230 nan 0.000 0.604 231 P HA -0.035 nan 4.420 nan 0.000 0.226 231 P C 0.544 177.803 177.300 -0.070 0.000 1.153 231 P CA 1.535 64.597 63.100 -0.063 0.000 0.777 231 P CB -0.254 31.363 31.700 -0.139 0.000 0.794 232 V N -4.441 115.450 119.914 -0.037 0.000 3.271 232 V HA 0.851 4.957 4.120 -0.024 0.000 0.305 232 V C 0.815 176.938 176.094 0.048 0.000 1.303 232 V CA -0.450 61.859 62.300 0.016 0.000 1.038 232 V CB 0.383 32.243 31.823 0.062 0.000 1.197 232 V HN -0.125 nan 8.190 nan 0.000 0.478 233 G N -1.096 107.752 108.800 0.080 0.000 4.178 233 G HA2 0.560 4.505 3.960 -0.024 0.000 0.287 233 G HA3 0.560 4.505 3.960 -0.024 0.000 0.287 233 G C 0.557 175.498 174.900 0.067 0.000 1.293 233 G CA 0.582 45.730 45.100 0.080 0.000 1.393 233 G HN 1.235 nan 8.290 nan 0.000 0.623 234 A N 0.630 123.479 122.820 0.047 0.000 1.850 234 A HA 0.349 4.655 4.320 -0.024 0.000 0.212 234 A C 1.102 178.716 177.584 0.051 0.000 1.208 234 A CA 0.489 52.547 52.037 0.034 0.000 0.609 234 A CB -0.101 18.906 19.000 0.013 0.000 0.860 234 A HN 0.383 nan 8.150 nan 0.000 0.448 235 L N 1.533 122.786 121.223 0.049 0.000 2.272 235 L HA 0.437 4.763 4.340 -0.024 0.000 0.284 235 L C -1.130 175.790 176.870 0.084 0.000 1.045 235 L CA -0.108 54.772 54.840 0.067 0.000 0.842 235 L CB 0.684 42.772 42.059 0.050 0.000 1.224 235 L HN 0.272 nan 8.230 nan 0.000 0.430 236 L N 2.093 123.379 121.223 0.105 0.000 2.342 236 L HA 0.390 4.715 4.340 -0.024 0.000 0.271 236 L C 0.101 177.071 176.870 0.167 0.000 1.008 236 L CA -0.829 54.083 54.840 0.120 0.000 0.818 236 L CB 2.304 44.427 42.059 0.107 0.000 1.296 236 L HN 0.390 nan 8.230 nan 0.000 0.427 237 D N 2.282 122.802 120.400 0.201 0.000 2.356 237 D HA -0.034 4.591 4.640 -0.024 0.000 0.272 237 D C 0.740 177.196 176.300 0.260 0.000 1.337 237 D CA -0.029 54.160 54.000 0.315 0.000 0.970 237 D CB 0.986 41.945 40.800 0.265 0.000 1.092 237 D HN 0.292 nan 8.370 nan 0.000 0.516 238 L N 4.214 125.582 121.223 0.242 0.000 2.275 238 L HA -0.084 4.241 4.340 -0.024 0.000 0.215 238 L C 2.159 179.123 176.870 0.157 0.000 1.119 238 L CA 1.468 56.382 54.840 0.124 0.000 0.790 238 L CB -1.126 40.958 42.059 0.041 0.000 0.919 238 L HN 0.445 nan 8.230 nan 0.000 0.443 239 T N -1.003 113.748 114.554 0.328 0.000 2.897 239 T HA -0.065 4.271 4.350 -0.024 0.000 0.271 239 T C 1.133 176.006 174.700 0.289 0.000 1.084 239 T CA 1.181 63.505 62.100 0.372 0.000 1.123 239 T CB -0.113 69.160 68.868 0.674 0.000 0.865 239 T HN 0.481 nan 8.240 nan 0.000 0.496 240 A N 0.361 123.314 122.820 0.221 0.000 2.594 240 A HA 0.413 4.718 4.320 -0.024 0.000 0.292 240 A C 0.558 178.205 177.584 0.105 0.000 1.026 240 A CA -0.552 51.568 52.037 0.138 0.000 0.983 240 A CB 0.019 19.078 19.000 0.098 0.000 1.233 240 A HN 0.405 nan 8.150 nan 0.000 0.519 241 R N 0.152 120.699 120.500 0.079 0.000 2.623 241 R HA 0.201 4.527 4.340 -0.024 0.000 0.271 241 R C -0.679 175.717 176.300 0.160 0.000 1.043 241 R CA -0.081 56.045 56.100 0.043 0.000 1.083 241 R CB -0.096 30.107 30.300 -0.161 0.000 0.974 241 R HN 0.329 nan 8.270 nan 0.000 0.436 242 F N 2.682 122.628 119.950 -0.006 0.000 2.866 242 F HA -0.260 4.253 4.527 -0.024 0.000 0.254 242 F C 0.597 176.376 175.800 -0.036 0.000 1.009 242 F CA 0.615 58.601 58.000 -0.024 0.000 0.907 242 F CB -0.970 38.019 39.000 -0.019 0.000 0.859 242 F HN 0.765 nan 8.300 nan 0.000 0.842 243 R N -0.257 120.307 120.500 0.107 0.000 2.167 243 R HA 0.716 5.042 4.340 -0.024 0.000 0.195 243 R C 0.838 177.106 176.300 -0.052 0.000 1.027 243 R CA 1.076 57.189 56.100 0.021 0.000 1.114 243 R CB 0.368 30.670 30.300 0.003 0.000 1.075 243 R HN 0.338 nan 8.270 nan 0.000 0.538 244 A N 1.005 123.764 122.820 -0.101 0.000 2.586 244 A HA 0.614 4.920 4.320 -0.024 0.000 0.291 244 A C -1.230 176.175 177.584 -0.298 0.000 1.062 244 A CA -0.860 51.060 52.037 -0.194 0.000 0.666 244 A CB 1.192 20.079 19.000 -0.189 0.000 1.281 244 A HN -0.064 nan 8.150 nan 0.000 0.421 245 R N 1.340 121.527 120.500 -0.520 0.000 2.539 245 R HA 0.259 4.585 4.340 -0.024 0.000 0.275 245 R C 0.954 176.762 176.300 -0.819 0.000 1.077 245 R CA -0.567 55.032 56.100 -0.834 0.000 1.097 245 R CB 0.051 29.374 30.300 -1.629 0.000 1.018 245 R HN 0.843 nan 8.270 nan 0.000 0.483 246 N N 1.347 119.740 118.700 -0.511 0.000 2.184 246 N HA -0.218 4.508 4.740 -0.024 0.000 0.190 246 N C 1.496 176.943 175.510 -0.105 0.000 1.011 246 N CA 2.046 54.975 53.050 -0.201 0.000 0.867 246 N CB -0.086 38.393 38.487 -0.014 0.000 0.993 246 N HN 0.681 nan 8.380 nan 0.000 0.433 247 W N 1.556 122.853 121.300 -0.004 0.000 2.518 247 W HA 0.149 4.795 4.660 -0.023 0.000 0.273 247 W C 1.571 178.083 176.519 -0.011 0.000 1.247 247 W CA 0.041 57.382 57.345 -0.007 0.000 1.288 247 W CB -0.563 28.894 29.460 -0.004 0.000 1.107 247 W HN -0.080 nan 8.180 nan 0.000 0.586 248 E N 0.926 120.918 120.200 -0.347 0.000 2.204 248 E HA -0.081 4.255 4.350 -0.024 0.000 0.194 248 E C 1.065 177.602 176.600 -0.105 0.000 0.989 248 E CA 0.592 56.877 56.400 -0.192 0.000 0.824 248 E CB -0.242 29.252 29.700 -0.343 0.000 0.756 248 E HN 0.262 nan 8.360 nan 0.000 0.477 249 M N 1.735 121.261 119.600 -0.123 0.000 2.217 249 M HA 0.057 4.522 4.480 -0.024 0.000 0.352 249 M C 0.265 176.540 176.300 -0.043 0.000 1.376 249 M CA 0.419 55.667 55.300 -0.087 0.000 1.107 249 M CB 0.414 32.956 32.600 -0.097 0.000 1.723 249 M HN -0.046 nan 8.290 nan 0.000 0.461 250 E N 3.167 123.340 120.200 -0.044 0.000 2.289 250 E HA 0.136 4.472 4.350 -0.024 0.000 0.278 250 E C -1.013 175.561 176.600 -0.043 0.000 1.032 250 E CA -0.239 56.142 56.400 -0.031 0.000 0.854 250 E CB 0.821 30.502 29.700 -0.031 0.000 1.046 250 E HN 0.580 nan 8.360 nan 0.000 0.409 251 E N 3.009 123.191 120.200 -0.029 0.000 2.133 251 E HA 0.238 4.573 4.350 -0.024 0.000 0.274 251 E C -1.221 175.361 176.600 -0.030 0.000 0.930 251 E CA -0.524 55.855 56.400 -0.035 0.000 0.770 251 E CB 1.858 31.545 29.700 -0.021 0.000 1.104 251 E HN 0.339 nan 8.360 nan 0.000 0.403 252 T N 4.745 119.274 114.554 -0.041 0.000 2.874 252 T HA 0.277 4.612 4.350 -0.024 0.000 0.321 252 T C -2.386 172.307 174.700 -0.013 0.000 1.075 252 T CA -1.738 60.345 62.100 -0.028 0.000 0.966 252 T CB 0.644 69.488 68.868 -0.040 0.000 1.001 252 T HN 0.255 nan 8.240 nan 0.000 0.476 253 P HA 0.285 nan 4.420 nan 0.000 0.276 253 P C -0.158 177.164 177.300 0.036 0.000 1.243 253 P CA 0.183 63.293 63.100 0.017 0.000 0.768 253 P CB 1.322 33.032 31.700 0.016 0.000 0.856 254 T N 1.569 116.159 114.554 0.060 0.000 2.606 254 T HA 0.464 4.799 4.350 -0.024 0.000 0.280 254 T C -1.004 173.762 174.700 0.110 0.000 1.074 254 T CA -0.144 62.009 62.100 0.089 0.000 1.140 254 T CB 0.781 69.715 68.868 0.110 0.000 1.631 254 T HN 0.283 nan 8.240 nan 0.000 0.464 255 T N 0.739 115.382 114.554 0.148 0.000 2.907 255 T HA 0.538 4.874 4.350 -0.024 0.000 0.292 255 T C -0.918 173.910 174.700 0.214 0.000 1.043 255 T CA -0.418 61.764 62.100 0.135 0.000 1.003 255 T CB 1.230 70.151 68.868 0.088 0.000 1.084 255 T HN 0.787 nan 8.240 nan 0.000 0.483 256 C N 2.555 121.953 119.300 0.164 0.000 2.285 256 C HA 0.729 5.174 4.460 -0.024 0.000 0.335 256 C C 1.380 176.296 174.990 -0.123 0.000 1.267 256 C CA -0.386 58.736 59.018 0.173 0.000 1.762 256 C CB -1.369 26.481 27.740 0.184 0.000 2.365 256 C HN 1.002 nan 8.230 nan 0.000 0.527 257 A N 5.142 127.601 122.820 -0.602 0.000 2.387 257 A HA 0.256 4.561 4.320 -0.024 0.000 0.234 257 A C 1.510 178.694 177.584 -0.668 0.000 1.253 257 A CA 0.012 51.608 52.037 -0.735 0.000 0.894 257 A CB -0.238 18.197 19.000 -0.941 0.000 0.963 257 A HN 0.920 nan 8.150 nan 0.000 0.508 258 L N -0.068 120.857 121.223 -0.496 0.000 2.642 258 L HA -0.056 4.270 4.340 -0.024 0.000 0.236 258 L C 1.024 177.859 176.870 -0.059 0.000 1.169 258 L CA 0.577 55.308 54.840 -0.181 0.000 0.851 258 L CB -0.678 41.357 42.059 -0.040 0.000 0.968 258 L HN 0.830 nan 8.230 nan 0.000 0.453 259 C N -5.921 113.328 119.300 -0.085 0.000 3.233 259 C HA 0.291 4.737 4.460 -0.024 0.000 0.358 259 C C -2.061 172.902 174.990 -0.045 0.000 1.461 259 C CA -0.971 58.024 59.018 -0.038 0.000 1.180 259 C CB 0.614 28.330 27.740 -0.041 0.000 1.604 259 C HN -0.146 nan 8.230 nan 0.000 0.437 260 P HA -0.018 nan 4.420 nan 0.000 0.225 260 P C 1.742 179.032 177.300 -0.016 0.000 1.156 260 P CA 2.245 65.334 63.100 -0.019 0.000 0.787 260 P CB -0.098 31.600 31.700 -0.004 0.000 0.802 261 V N -2.821 117.088 119.914 -0.008 0.000 2.358 261 V HA 0.068 4.174 4.120 -0.024 0.000 0.246 261 V C 1.446 177.541 176.094 0.002 0.000 1.047 261 V CA 1.350 63.653 62.300 0.005 0.000 1.035 261 V CB -2.124 29.713 31.823 0.023 0.000 0.658 261 V HN 0.289 nan 8.190 nan 0.000 0.452 262 G N 0.261 109.055 108.800 -0.009 0.000 2.353 262 G HA2 -0.226 3.720 3.960 -0.024 0.000 0.294 262 G HA3 -0.226 3.720 3.960 -0.024 0.000 0.294 262 G C -0.058 174.854 174.900 0.020 0.000 1.077 262 G CA -0.068 45.027 45.100 -0.008 0.000 1.098 262 G HN 0.942 nan 8.290 nan 0.000 0.511 263 C N 0.562 119.882 119.300 0.034 0.000 2.637 263 C HA 0.606 5.051 4.460 -0.024 0.000 0.418 263 C C 1.693 176.716 174.990 0.054 0.000 1.319 263 C CA -0.033 59.013 59.018 0.046 0.000 1.949 263 C CB 0.381 28.159 27.740 0.062 0.000 2.639 263 C HN 1.134 nan 8.230 nan 0.000 0.594 264 G N 3.103 111.927 108.800 0.040 0.000 2.340 264 G HA2 0.454 4.400 3.960 -0.024 0.000 0.245 264 G HA3 0.454 4.400 3.960 -0.024 0.000 0.245 264 G C -0.331 174.596 174.900 0.044 0.000 1.294 264 G CA -0.101 45.024 45.100 0.041 0.000 0.896 264 G HN 0.895 nan 8.290 nan 0.000 0.522 265 I N -1.327 119.280 120.570 0.063 0.000 3.239 265 I HA 0.763 4.918 4.170 -0.024 0.000 0.314 265 I C -0.534 175.603 176.117 0.033 0.000 1.126 265 I CA -1.098 60.236 61.300 0.056 0.000 0.973 265 I CB 2.489 40.556 38.000 0.112 0.000 1.252 265 I HN 0.253 nan 8.210 nan 0.000 0.463 266 T N 2.137 116.693 114.554 0.002 0.000 2.812 266 T HA 0.688 5.023 4.350 -0.024 0.000 0.282 266 T C -0.504 174.158 174.700 -0.063 0.000 0.990 266 T CA -0.460 61.626 62.100 -0.023 0.000 0.960 266 T CB 1.507 70.356 68.868 -0.032 0.000 0.948 266 T HN 0.791 nan 8.240 nan 0.000 0.438 267 A N 3.402 126.172 122.820 -0.083 0.000 2.249 267 A HA 0.607 4.912 4.320 -0.024 0.000 0.314 267 A C -0.527 176.963 177.584 -0.157 0.000 1.290 267 A CA -0.760 51.177 52.037 -0.167 0.000 0.893 267 A CB 0.297 19.181 19.000 -0.194 0.000 1.165 267 A HN 0.697 nan 8.150 nan 0.000 0.530 268 D N 2.781 123.070 120.400 -0.184 0.000 2.274 268 D HA 0.513 5.138 4.640 -0.024 0.000 0.239 268 D C -0.185 176.013 176.300 -0.171 0.000 1.104 268 D CA 0.395 54.304 54.000 -0.151 0.000 0.840 268 D CB 1.602 42.321 40.800 -0.135 0.000 1.100 268 D HN 0.551 nan 8.370 nan 0.000 0.477 269 T N -0.332 114.142 114.554 -0.134 0.000 2.912 269 T HA 0.602 4.937 4.350 -0.024 0.000 0.299 269 T C -0.288 174.355 174.700 -0.095 0.000 1.052 269 T CA -1.130 60.894 62.100 -0.127 0.000 0.996 269 T CB 2.442 71.234 68.868 -0.127 0.000 1.070 269 T HN 0.304 nan 8.240 nan 0.000 0.465 270 R N 1.596 122.043 120.500 -0.089 0.000 2.507 270 R HA 0.501 4.827 4.340 -0.024 0.000 0.298 270 R C -0.793 175.473 176.300 -0.058 0.000 1.087 270 R CA -0.365 55.693 56.100 -0.069 0.000 0.917 270 R CB 0.660 30.914 30.300 -0.076 0.000 1.173 270 R HN 0.898 nan 8.270 nan 0.000 0.472 271 S N 2.566 118.238 115.700 -0.047 0.000 3.929 271 S HA -0.141 4.315 4.470 -0.024 0.000 0.351 271 S C 0.876 175.451 174.600 -0.042 0.000 1.021 271 S CA 1.120 59.297 58.200 -0.038 0.000 1.049 271 S CB -1.369 61.812 63.200 -0.031 0.000 0.872 271 S HN 1.271 nan 8.310 nan 0.000 0.479 272 G N 0.295 109.066 108.800 -0.050 0.000 2.304 272 G HA2 -0.335 3.611 3.960 -0.024 0.000 0.252 272 G HA3 -0.335 3.611 3.960 -0.024 0.000 0.252 272 G C -0.246 174.612 174.900 -0.070 0.000 1.014 272 G CA 0.710 45.778 45.100 -0.054 0.000 0.619 272 G HN 1.042 nan 8.290 nan 0.000 0.525 273 E N 0.756 120.913 120.200 -0.072 0.000 2.242 273 E HA 0.673 5.008 4.350 -0.024 0.000 0.275 273 E C -0.430 176.095 176.600 -0.124 0.000 1.002 273 E CA -1.243 55.107 56.400 -0.084 0.000 0.841 273 E CB 2.009 31.674 29.700 -0.059 0.000 1.109 273 E HN 0.123 nan 8.360 nan 0.000 0.394 274 L N 4.024 125.151 121.223 -0.160 0.000 2.283 274 L HA 0.059 4.384 4.340 -0.024 0.000 0.287 274 L C 0.131 176.834 176.870 -0.279 0.000 1.073 274 L CA -0.245 54.442 54.840 -0.255 0.000 0.822 274 L CB 0.580 42.438 42.059 -0.335 0.000 1.186 274 L HN 0.760 nan 8.230 nan 0.000 0.436 275 L N 4.466 125.522 121.223 -0.277 0.000 2.130 275 L HA 0.260 4.586 4.340 -0.024 0.000 0.200 275 L C 0.961 177.635 176.870 -0.326 0.000 1.075 275 L CA 1.011 55.716 54.840 -0.224 0.000 0.768 275 L CB -0.674 41.293 42.059 -0.152 0.000 0.933 275 L HN 0.719 nan 8.230 nan 0.000 0.451 276 R N -0.664 119.600 120.500 -0.392 0.000 2.604 276 R HA 0.348 4.673 4.340 -0.024 0.000 0.261 276 R C -1.826 174.288 176.300 -0.310 0.000 1.080 276 R CA -0.591 55.308 56.100 -0.335 0.000 0.917 276 R CB 1.727 31.951 30.300 -0.127 0.000 1.252 276 R HN -0.145 nan 8.270 nan 0.000 0.456 277 I N 3.881 124.310 120.570 -0.235 0.000 2.437 277 I HA 0.534 4.690 4.170 -0.024 0.000 0.298 277 I C 0.247 176.287 176.117 -0.128 0.000 0.984 277 I CA -0.583 60.621 61.300 -0.160 0.000 1.214 277 I CB 1.638 39.588 38.000 -0.082 0.000 1.365 277 I HN 0.689 nan 8.210 nan 0.000 0.469 278 R N 3.245 123.689 120.500 -0.094 0.000 2.869 278 R HA 0.826 5.151 4.340 -0.024 0.000 0.263 278 R C -0.957 175.314 176.300 -0.048 0.000 1.066 278 R CA -1.038 55.016 56.100 -0.076 0.000 0.960 278 R CB 1.714 31.974 30.300 -0.066 0.000 1.221 278 R HN 0.626 nan 8.270 nan 0.000 0.474 279 A N 1.178 123.969 122.820 -0.048 0.000 2.301 279 A HA 0.472 4.778 4.320 -0.024 0.000 0.312 279 A C -0.448 177.105 177.584 -0.052 0.000 1.182 279 A CA -0.475 51.539 52.037 -0.039 0.000 0.826 279 A CB 0.674 19.644 19.000 -0.050 0.000 1.134 279 A HN 0.621 nan 8.150 nan 0.000 0.501 280 R N 1.882 122.362 120.500 -0.034 0.000 2.295 280 R HA 0.278 4.604 4.340 -0.024 0.000 0.324 280 R C -0.155 176.115 176.300 -0.049 0.000 0.968 280 R CA -0.371 55.708 56.100 -0.034 0.000 0.837 280 R CB 0.780 31.075 30.300 -0.007 0.000 1.133 280 R HN 0.921 nan 8.270 nan 0.000 0.450 281 E N 2.961 123.121 120.200 -0.068 0.000 2.452 281 E HA 0.024 4.360 4.350 -0.024 0.000 0.261 281 E C -1.122 175.456 176.600 -0.037 0.000 0.987 281 E CA 0.133 56.488 56.400 -0.076 0.000 0.926 281 E CB 0.927 30.583 29.700 -0.074 0.000 0.934 281 E HN 0.348 nan 8.360 nan 0.000 0.452 282 V N 6.945 126.839 119.914 -0.033 0.000 3.333 282 V HA 0.182 4.287 4.120 -0.024 0.000 0.288 282 V C -2.246 173.845 176.094 -0.005 0.000 0.895 282 V CA -1.013 61.281 62.300 -0.009 0.000 1.226 282 V CB 1.430 33.252 31.823 -0.002 0.000 0.873 282 V HN 0.748 nan 8.190 nan 0.000 0.492 283 P HA -0.185 nan 4.420 nan 0.000 0.217 283 P C 1.273 178.587 177.300 0.023 0.000 1.148 283 P CA 1.716 64.833 63.100 0.028 0.000 0.828 283 P CB 0.344 32.080 31.700 0.060 0.000 0.783 284 E N -0.038 120.174 120.200 0.019 0.000 2.058 284 E HA -0.110 4.226 4.350 -0.024 0.000 0.194 284 E C 1.990 178.599 176.600 0.014 0.000 0.997 284 E CA 0.868 57.279 56.400 0.018 0.000 0.801 284 E CB -1.355 28.353 29.700 0.015 0.000 0.746 284 E HN 0.236 nan 8.360 nan 0.000 0.450 285 V N 2.309 122.229 119.914 0.011 0.000 5.409 285 V HA 0.025 4.130 4.120 -0.024 0.000 0.160 285 V C 0.298 176.400 176.094 0.013 0.000 1.399 285 V CA 0.217 62.525 62.300 0.012 0.000 1.277 285 V CB 0.155 31.986 31.823 0.014 0.000 1.731 285 V HN 0.335 nan 8.190 nan 0.000 0.376 286 N N 0.572 119.283 118.700 0.019 0.000 2.453 286 N HA 0.030 4.756 4.740 -0.024 0.000 0.253 286 N C 0.218 175.711 175.510 -0.027 0.000 1.252 286 N CA 0.278 53.345 53.050 0.029 0.000 0.917 286 N CB 1.680 40.200 38.487 0.054 0.000 1.117 286 N HN 0.656 nan 8.380 nan 0.000 0.442 287 E N 0.755 120.901 120.200 -0.090 0.000 2.033 287 E HA 0.130 4.465 4.350 -0.024 0.000 0.194 287 E C 0.878 177.296 176.600 -0.304 0.000 0.960 287 E CA 0.975 57.240 56.400 -0.224 0.000 0.842 287 E CB 0.054 29.454 29.700 -0.501 0.000 0.816 287 E HN 0.808 nan 8.360 nan 0.000 0.468 288 I N -3.092 117.078 120.570 -0.667 0.000 3.817 288 I HA 0.372 4.527 4.170 -0.024 0.000 0.322 288 I C -1.121 174.577 176.117 -0.699 0.000 1.512 288 I CA -0.601 60.306 61.300 -0.656 0.000 1.066 288 I CB 0.126 37.677 38.000 -0.749 0.000 1.336 288 I HN 0.011 nan 8.210 nan 0.000 0.539 289 W N 1.630 122.903 121.300 -0.045 0.000 2.573 289 W HA 0.736 5.382 4.660 -0.025 0.000 0.326 289 W C -0.370 176.157 176.519 0.013 0.000 1.049 289 W CA -1.002 56.330 57.345 -0.022 0.000 1.220 289 W CB 1.813 31.262 29.460 -0.019 0.000 1.373 289 W HN -0.191 nan 8.180 nan 0.000 0.507 290 I N 3.015 123.762 120.570 0.296 0.000 2.797 290 I HA 0.335 4.491 4.170 -0.024 0.000 0.307 290 I C 0.354 176.620 176.117 0.248 0.000 1.033 290 I CA -1.456 59.956 61.300 0.188 0.000 1.071 290 I CB 1.276 39.325 38.000 0.082 0.000 1.255 290 I HN 0.656 nan 8.210 nan 0.000 0.445 291 C N 2.308 121.710 119.300 0.169 0.000 2.351 291 C HA 0.457 4.903 4.460 -0.024 0.000 0.359 291 C C 1.504 176.426 174.990 -0.113 0.000 1.193 291 C CA -0.477 58.593 59.018 0.088 0.000 2.270 291 C CB 1.325 29.059 27.740 -0.009 0.000 2.369 291 C HN 0.813 nan 8.230 nan 0.000 0.553 292 D N 1.336 121.599 120.400 -0.228 0.000 2.149 292 D HA -0.087 4.538 4.640 -0.024 0.000 0.198 292 D C 2.248 178.239 176.300 -0.516 0.000 0.990 292 D CA 2.159 56.060 54.000 -0.166 0.000 0.839 292 D CB -0.357 40.381 40.800 -0.103 0.000 0.948 292 D HN 0.845 nan 8.370 nan 0.000 0.460 293 A N 0.742 122.920 122.820 -1.069 0.000 1.898 293 A HA 0.018 4.324 4.320 -0.024 0.000 0.216 293 A C 2.402 179.794 177.584 -0.320 0.000 1.181 293 A CA 1.843 53.145 52.037 -1.224 0.000 0.620 293 A CB -1.009 17.288 19.000 -1.171 0.000 0.819 293 A HN 0.290 nan 8.150 nan 0.000 0.442 294 G N -0.604 108.070 108.800 -0.209 0.000 2.485 294 G HA2 -0.255 3.690 3.960 -0.024 0.000 0.221 294 G HA3 -0.255 3.690 3.960 -0.024 0.000 0.221 294 G C 1.690 176.628 174.900 0.063 0.000 1.115 294 G CA 1.219 46.320 45.100 0.002 0.000 0.751 294 G HN 0.584 nan 8.290 nan 0.000 0.567 295 R N -1.488 118.973 120.500 -0.064 0.000 2.342 295 R HA 0.260 4.586 4.340 -0.024 0.000 0.204 295 R C 1.020 177.189 176.300 -0.217 0.000 0.882 295 R CA 0.015 56.006 56.100 -0.182 0.000 1.041 295 R CB 0.187 30.233 30.300 -0.423 0.000 1.188 295 R HN 0.302 nan 8.270 nan 0.000 0.598 296 F N 0.019 120.026 119.950 0.094 0.000 2.682 296 F HA 0.424 4.937 4.527 -0.025 0.000 0.308 296 F C 1.085 176.952 175.800 0.113 0.000 1.093 296 F CA -0.050 58.001 58.000 0.084 0.000 1.244 296 F CB 1.345 40.255 39.000 -0.149 0.000 1.052 296 F HN 0.033 nan 8.300 nan 0.000 0.573 297 G N -0.314 108.742 108.800 0.427 0.000 3.727 297 G HA2 0.321 4.266 3.960 -0.024 0.000 0.301 297 G HA3 0.321 4.266 3.960 -0.024 0.000 0.301 297 G C 0.012 175.230 174.900 0.529 0.000 1.128 297 G CA -0.116 45.298 45.100 0.524 0.000 1.545 297 G HN 0.521 nan 8.290 nan 0.000 0.555 298 H N -2.378 116.909 119.070 0.362 0.000 3.622 298 H HA 0.231 4.773 4.556 -0.024 0.000 0.259 298 H C 1.513 176.801 175.328 -0.068 0.000 1.145 298 H CA 0.014 56.089 56.048 0.045 0.000 1.178 298 H CB 0.147 29.846 29.762 -0.104 0.000 1.542 298 H HN 0.211 nan 8.280 nan 0.000 0.586 299 E N 1.663 121.897 120.200 0.056 0.000 2.164 299 E HA -0.217 4.119 4.350 -0.024 0.000 0.206 299 E C 1.323 178.037 176.600 0.190 0.000 1.032 299 E CA 1.928 58.421 56.400 0.155 0.000 0.832 299 E CB -0.334 29.454 29.700 0.147 0.000 0.742 299 E HN 0.867 nan 8.360 nan 0.000 0.460 300 W N -0.372 121.043 121.300 0.193 0.000 2.737 300 W HA 0.417 5.063 4.660 -0.024 0.000 0.262 300 W C 1.610 178.340 176.519 0.351 0.000 1.282 300 W CA 0.585 58.067 57.345 0.228 0.000 1.386 300 W CB -0.510 29.059 29.460 0.182 0.000 1.099 300 W HN -0.028 nan 8.180 nan 0.000 0.621 301 A N 1.848 124.105 122.820 -0.937 0.000 2.208 301 A HA -0.113 4.193 4.320 -0.024 0.000 0.209 301 A C 1.583 179.001 177.584 -0.276 0.000 1.161 301 A CA 1.566 53.100 52.037 -0.838 0.000 0.782 301 A CB -0.668 17.680 19.000 -1.086 0.000 0.816 301 A HN 0.386 nan 8.150 nan 0.000 0.477 302 D N -2.507 117.803 120.400 -0.151 0.000 2.500 302 D HA 0.051 4.677 4.640 -0.024 0.000 0.217 302 D C 1.364 177.657 176.300 -0.011 0.000 1.159 302 D CA 0.226 54.176 54.000 -0.083 0.000 0.828 302 D CB -0.006 40.737 40.800 -0.095 0.000 1.039 302 D HN 0.204 nan 8.370 nan 0.000 0.512 303 Q N 0.657 120.488 119.800 0.052 0.000 2.225 303 Q HA 0.236 4.561 4.340 -0.024 0.000 0.193 303 Q C -0.233 175.819 176.000 0.086 0.000 0.990 303 Q CA 0.991 56.845 55.803 0.085 0.000 0.841 303 Q CB 0.108 28.926 28.738 0.133 0.000 0.941 303 Q HN 0.013 nan 8.270 nan 0.000 0.516 304 N N 0.840 119.632 118.700 0.153 0.000 2.443 304 N HA 0.394 5.119 4.740 -0.024 0.000 0.269 304 N C -1.419 174.111 175.510 0.034 0.000 0.985 304 N CA -0.208 52.915 53.050 0.122 0.000 0.921 304 N CB 1.528 40.117 38.487 0.170 0.000 1.195 304 N HN 0.106 nan 8.380 nan 0.000 0.492 305 R N 1.647 122.106 120.500 -0.068 0.000 2.643 305 R HA 0.339 4.664 4.340 -0.024 0.000 0.269 305 R C -1.368 174.881 176.300 -0.084 0.000 1.037 305 R CA -0.860 55.108 56.100 -0.221 0.000 0.894 305 R CB 1.630 31.739 30.300 -0.317 0.000 1.238 305 R HN 0.422 nan 8.270 nan 0.000 0.459 306 L N 3.675 124.858 121.223 -0.068 0.000 2.369 306 L HA 0.307 4.632 4.340 -0.024 0.000 0.279 306 L C -0.005 176.875 176.870 0.017 0.000 1.108 306 L CA 0.735 55.577 54.840 0.003 0.000 0.852 306 L CB 0.681 42.762 42.059 0.037 0.000 1.169 306 L HN 0.678 nan 8.230 nan 0.000 0.452 307 K N 2.622 123.042 120.400 0.032 0.000 2.360 307 K HA 0.188 4.494 4.320 -0.024 0.000 0.196 307 K C 0.142 176.797 176.600 0.091 0.000 1.049 307 K CA 0.640 56.959 56.287 0.053 0.000 1.049 307 K CB 0.395 32.917 32.500 0.038 0.000 0.881 307 K HN 0.819 nan 8.250 nan 0.000 0.542 308 T N -0.616 113.981 114.554 0.071 0.000 2.901 308 T HA 0.392 4.728 4.350 -0.024 0.000 0.293 308 T C -3.079 171.616 174.700 -0.008 0.000 1.084 308 T CA -2.490 59.650 62.100 0.065 0.000 1.008 308 T CB 2.330 71.223 68.868 0.041 0.000 1.170 308 T HN -0.265 nan 8.240 nan 0.000 0.509 309 P HA 0.335 nan 4.420 nan 0.000 0.276 309 P C -0.660 176.551 177.300 -0.149 0.000 1.235 309 P CA -0.416 62.514 63.100 -0.284 0.000 0.772 309 P CB 0.645 31.907 31.700 -0.729 0.000 0.871 310 L N 3.308 124.478 121.223 -0.089 0.000 2.344 310 L HA 0.680 5.005 4.340 -0.024 0.000 0.272 310 L C 0.412 177.265 176.870 -0.027 0.000 1.035 310 L CA -0.943 53.874 54.840 -0.038 0.000 0.807 310 L CB 1.977 44.033 42.059 -0.005 0.000 1.237 310 L HN 0.176 nan 8.230 nan 0.000 0.442 311 V N 2.598 122.512 119.914 0.000 0.000 3.049 311 V HA 0.452 4.557 4.120 -0.024 0.000 0.309 311 V C -0.795 175.327 176.094 0.047 0.000 1.148 311 V CA -0.737 61.582 62.300 0.031 0.000 0.990 311 V CB 2.647 34.489 31.823 0.031 0.000 1.039 311 V HN 0.825 nan 8.190 nan 0.000 0.430 312 R N 3.533 124.080 120.500 0.079 0.000 2.308 312 R HA 0.453 4.778 4.340 -0.024 0.000 0.305 312 R C -0.081 176.257 176.300 0.064 0.000 1.053 312 R CA -0.170 55.978 56.100 0.080 0.000 0.957 312 R CB 1.294 31.670 30.300 0.127 0.000 1.022 312 R HN 0.790 nan 8.270 nan 0.000 0.461 313 K N 1.330 121.758 120.400 0.046 0.000 2.758 313 K HA 0.200 4.506 4.320 -0.024 0.000 0.247 313 K C -0.332 176.286 176.600 0.030 0.000 1.155 313 K CA 0.401 56.708 56.287 0.033 0.000 1.011 313 K CB 0.542 33.057 32.500 0.025 0.000 1.633 313 K HN 0.426 nan 8.250 nan 0.000 0.438 314 E N 1.019 121.234 120.200 0.025 0.000 2.282 314 E HA 0.235 4.570 4.350 -0.024 0.000 0.247 314 E C -0.108 176.504 176.600 0.021 0.000 1.113 314 E CA 0.183 56.595 56.400 0.020 0.000 1.095 314 E CB 0.368 30.076 29.700 0.015 0.000 1.328 314 E HN 0.714 nan 8.360 nan 0.000 0.463 315 G N 3.161 111.977 108.800 0.026 0.000 2.175 315 G HA2 -0.351 3.595 3.960 -0.024 0.000 0.265 315 G HA3 -0.351 3.595 3.960 -0.024 0.000 0.265 315 G C 0.423 175.338 174.900 0.025 0.000 0.979 315 G CA 1.198 46.312 45.100 0.024 0.000 0.663 315 G HN 0.483 nan 8.290 nan 0.000 0.533 316 R N -1.475 119.043 120.500 0.030 0.000 2.817 316 R HA 0.823 5.148 4.340 -0.024 0.000 0.268 316 R C -0.700 175.620 176.300 0.034 0.000 1.027 316 R CA -1.314 54.804 56.100 0.029 0.000 0.928 316 R CB 0.976 31.290 30.300 0.024 0.000 1.228 316 R HN 0.054 nan 8.270 nan 0.000 0.469 317 L N 1.168 122.410 121.223 0.031 0.000 2.360 317 L HA 0.682 5.008 4.340 -0.024 0.000 0.271 317 L C 0.013 176.898 176.870 0.024 0.000 1.057 317 L CA -0.941 53.917 54.840 0.030 0.000 0.803 317 L CB 1.217 43.293 42.059 0.028 0.000 1.207 317 L HN 0.539 nan 8.230 nan 0.000 0.445 318 V N -0.296 119.630 119.914 0.021 0.000 3.159 318 V HA 0.331 4.437 4.120 -0.024 0.000 0.308 318 V C -0.241 175.859 176.094 0.010 0.000 1.190 318 V CA -1.135 61.175 62.300 0.017 0.000 1.037 318 V CB 2.320 34.153 31.823 0.018 0.000 1.060 318 V HN 0.693 nan 8.190 nan 0.000 0.437 319 E N 1.356 121.563 120.200 0.010 0.000 2.465 319 E HA 0.424 4.760 4.350 -0.024 0.000 0.260 319 E C -0.161 176.440 176.600 0.003 0.000 0.980 319 E CA 0.351 56.755 56.400 0.006 0.000 0.927 319 E CB 0.793 30.503 29.700 0.016 0.000 0.934 319 E HN 0.873 nan 8.360 nan 0.000 0.459 320 A N 3.207 126.018 122.820 -0.015 0.000 2.520 320 A HA 0.426 4.732 4.320 -0.024 0.000 0.298 320 A C -0.148 177.421 177.584 -0.025 0.000 1.051 320 A CA -0.858 51.171 52.037 -0.013 0.000 0.690 320 A CB 1.492 20.480 19.000 -0.020 0.000 1.281 320 A HN 0.493 nan 8.150 nan 0.000 0.402 321 T N 0.618 115.188 114.554 0.027 0.000 2.734 321 T HA 0.060 4.396 4.350 -0.024 0.000 0.314 321 T C 0.801 175.541 174.700 0.066 0.000 1.057 321 T CA 0.607 62.757 62.100 0.083 0.000 1.047 321 T CB 0.192 69.132 68.868 0.120 0.000 0.991 321 T HN 0.657 nan 8.240 nan 0.000 0.540 322 W N 0.331 121.675 121.300 0.074 0.000 2.525 322 W HA -0.021 4.625 4.660 -0.024 0.000 0.259 322 W C 2.237 178.829 176.519 0.121 0.000 1.253 322 W CA 0.261 57.659 57.345 0.088 0.000 1.262 322 W CB -0.111 29.383 29.460 0.056 0.000 1.122 322 W HN 0.689 nan 8.180 nan 0.000 0.607 323 E N 0.199 120.569 120.200 0.283 0.000 2.033 323 E HA -0.138 4.198 4.350 -0.024 0.000 0.189 323 E C 1.756 178.470 176.600 0.189 0.000 0.979 323 E CA 1.240 57.783 56.400 0.238 0.000 0.802 323 E CB -0.674 29.127 29.700 0.169 0.000 0.763 323 E HN 0.454 nan 8.360 nan 0.000 0.449 324 E N 0.926 121.197 120.200 0.118 0.000 2.265 324 E HA -0.095 4.241 4.350 -0.024 0.000 0.196 324 E C 1.725 178.358 176.600 0.056 0.000 0.996 324 E CA 0.892 57.332 56.400 0.068 0.000 0.832 324 E CB -0.001 29.724 29.700 0.043 0.000 0.756 324 E HN 0.151 nan 8.360 nan 0.000 0.491 325 A N 0.407 123.266 122.820 0.064 0.000 2.095 325 A HA 0.012 4.317 4.320 -0.024 0.000 0.212 325 A C 1.702 179.373 177.584 0.146 0.000 1.162 325 A CA -0.053 52.004 52.037 0.033 0.000 0.753 325 A CB -0.213 18.708 19.000 -0.132 0.000 0.840 325 A HN 0.272 nan 8.150 nan 0.000 0.468 326 F N 0.794 120.786 119.950 0.069 0.000 2.293 326 F HA 0.050 4.563 4.527 -0.024 0.000 0.297 326 F C 1.647 177.483 175.800 0.060 0.000 1.089 326 F CA 0.920 58.978 58.000 0.096 0.000 1.377 326 F CB -0.267 38.812 39.000 0.132 0.000 1.051 326 F HN 0.124 nan 8.300 nan 0.000 0.511 327 L N 0.015 121.165 121.223 -0.122 0.000 2.007 327 L HA -0.101 4.225 4.340 -0.024 0.000 0.205 327 L C 2.788 179.560 176.870 -0.163 0.000 1.073 327 L CA 1.216 55.917 54.840 -0.232 0.000 0.744 327 L CB -1.411 40.588 42.059 -0.100 0.000 0.898 327 L HN 0.125 nan 8.230 nan 0.000 0.435 328 A N -0.218 122.570 122.820 -0.054 0.000 2.084 328 A HA -0.233 4.073 4.320 -0.024 0.000 0.221 328 A C 2.186 179.782 177.584 0.021 0.000 1.161 328 A CA 1.753 53.783 52.037 -0.012 0.000 0.653 328 A CB -0.605 18.421 19.000 0.043 0.000 0.802 328 A HN 0.396 nan 8.150 nan 0.000 0.457 329 L N -1.394 119.843 121.223 0.023 0.000 2.307 329 L HA 0.122 4.447 4.340 -0.024 0.000 0.211 329 L C 2.075 178.882 176.870 -0.104 0.000 1.099 329 L CA 1.459 56.362 54.840 0.104 0.000 0.816 329 L CB -0.166 42.010 42.059 0.195 0.000 0.952 329 L HN 0.221 nan 8.230 nan 0.000 0.455 330 K N -0.533 119.717 120.400 -0.250 0.000 2.211 330 K HA -0.188 4.118 4.320 -0.024 0.000 0.203 330 K C 1.865 178.293 176.600 -0.286 0.000 1.050 330 K CA 1.179 57.282 56.287 -0.305 0.000 0.945 330 K CB 0.127 32.377 32.500 -0.416 0.000 0.732 330 K HN 0.268 nan 8.250 nan 0.000 0.451 331 E N 0.449 120.482 120.200 -0.278 0.000 2.006 331 E HA -0.104 4.231 4.350 -0.024 0.000 0.192 331 E C 1.865 178.199 176.600 -0.444 0.000 0.993 331 E CA 1.781 58.010 56.400 -0.285 0.000 0.808 331 E CB -0.678 28.899 29.700 -0.206 0.000 0.764 331 E HN 0.221 nan 8.360 nan 0.000 0.449 332 G N -0.075 108.290 108.800 -0.725 0.000 2.537 332 G HA2 -0.164 3.782 3.960 -0.024 0.000 0.220 332 G HA3 -0.164 3.782 3.960 -0.024 0.000 0.220 332 G C 1.226 175.432 174.900 -1.157 0.000 1.111 332 G CA 1.033 45.327 45.100 -1.345 0.000 0.748 332 G HN 0.318 nan 8.290 nan 0.000 0.564 333 L N -1.135 119.634 121.223 -0.756 0.000 2.920 333 L HA 0.291 4.616 4.340 -0.024 0.000 0.257 333 L C 2.248 178.866 176.870 -0.421 0.000 1.150 333 L CA -0.031 54.458 54.840 -0.584 0.000 0.959 333 L CB 0.248 42.116 42.059 -0.318 0.000 1.321 333 L HN 0.094 nan 8.230 nan 0.000 0.555 334 K N 1.186 121.382 120.400 -0.341 0.000 2.147 334 K HA -0.116 4.189 4.320 -0.024 0.000 0.205 334 K C 0.555 177.026 176.600 -0.215 0.000 1.049 334 K CA 1.115 57.263 56.287 -0.232 0.000 0.936 334 K CB 0.307 32.692 32.500 -0.192 0.000 0.722 334 K HN 0.168 nan 8.250 nan 0.000 0.446 335 E N 0.870 120.911 120.200 -0.265 0.000 2.368 335 E HA 0.179 4.514 4.350 -0.024 0.000 0.283 335 E C -1.085 175.371 176.600 -0.240 0.000 1.476 335 E CA -0.070 56.221 56.400 -0.182 0.000 1.786 335 E CB 0.859 30.491 29.700 -0.113 0.000 1.518 335 E HN 0.301 nan 8.360 nan 0.000 0.456 336 A N 2.072 124.731 122.820 -0.269 0.000 2.427 336 A HA 0.532 4.837 4.320 -0.024 0.000 0.298 336 A C -0.351 177.206 177.584 -0.043 0.000 1.036 336 A CA -1.072 50.817 52.037 -0.246 0.000 0.701 336 A CB 1.434 19.997 19.000 -0.730 0.000 1.250 336 A HN 0.196 nan 8.150 nan 0.000 0.412 337 R N 1.745 122.296 120.500 0.084 0.000 2.410 337 R HA 0.434 4.760 4.340 -0.024 0.000 0.288 337 R C 0.795 177.146 176.300 0.084 0.000 1.051 337 R CA -0.288 55.853 56.100 0.069 0.000 1.021 337 R CB 0.063 30.410 30.300 0.079 0.000 1.032 337 R HN 0.919 nan 8.270 nan 0.000 0.481 338 G N 0.832 109.662 108.800 0.050 0.000 2.653 338 G HA2 -0.218 3.727 3.960 -0.024 0.000 0.212 338 G HA3 -0.218 3.727 3.960 -0.024 0.000 0.212 338 G C 0.789 175.723 174.900 0.058 0.000 1.138 338 G CA 0.104 45.234 45.100 0.049 0.000 0.782 338 G HN 0.720 nan 8.290 nan 0.000 0.535 339 E N 0.162 120.403 120.200 0.068 0.000 2.498 339 E HA 0.032 4.367 4.350 -0.024 0.000 0.203 339 E C 0.997 177.658 176.600 0.101 0.000 1.013 339 E CA -0.026 56.399 56.400 0.042 0.000 0.927 339 E CB 0.264 29.977 29.700 0.021 0.000 1.012 339 E HN 0.289 nan 8.360 nan 0.000 0.482 340 E N 0.511 120.823 120.200 0.187 0.000 2.444 340 E HA 0.108 4.444 4.350 -0.024 0.000 0.191 340 E C 0.038 176.837 176.600 0.331 0.000 1.041 340 E CA -0.077 56.491 56.400 0.280 0.000 0.883 340 E CB 0.999 30.863 29.700 0.273 0.000 1.024 340 E HN -0.003 nan 8.360 nan 0.000 0.470 341 V N 0.592 120.668 119.914 0.269 0.000 2.509 341 V HA 0.523 4.629 4.120 -0.024 0.000 0.284 341 V C 0.724 176.920 176.094 0.168 0.000 1.047 341 V CA -0.695 61.731 62.300 0.210 0.000 0.952 341 V CB 1.599 33.502 31.823 0.133 0.000 0.988 341 V HN 0.107 nan 8.190 nan 0.000 0.469 342 G N 4.096 112.896 108.800 0.000 0.000 2.379 342 G HA2 0.687 4.632 3.960 -0.024 0.000 0.327 342 G HA3 0.687 4.632 3.960 -0.024 0.000 0.327 342 G C -1.056 173.558 174.900 -0.477 0.000 1.145 342 G CA -0.606 44.280 45.100 -0.357 0.000 0.905 342 G HN 0.616 nan 8.290 nan 0.000 0.466 343 L N 2.442 123.333 121.223 -0.552 0.000 2.401 343 L HA 0.358 4.683 4.340 -0.024 0.000 0.263 343 L C -1.250 175.559 176.870 -0.101 0.000 1.004 343 L CA -0.626 54.103 54.840 -0.185 0.000 0.881 343 L CB 1.032 43.099 42.059 0.013 0.000 1.219 343 L HN 0.553 nan 8.230 nan 0.000 0.441 344 Y N 3.650 124.047 120.300 0.162 0.000 2.326 344 Y HA 0.556 5.092 4.550 -0.024 0.000 0.331 344 Y C 0.081 176.213 175.900 0.387 0.000 0.962 344 Y CA -0.937 57.302 58.100 0.232 0.000 1.167 344 Y CB 1.710 40.198 38.460 0.047 0.000 1.148 344 Y HN 0.364 nan 8.280 nan 0.000 0.463 345 L N 2.424 124.024 121.223 0.629 0.000 2.376 345 L HA 0.855 5.181 4.340 -0.024 0.000 0.267 345 L C 0.427 177.556 176.870 0.433 0.000 1.035 345 L CA -1.168 53.982 54.840 0.516 0.000 0.800 345 L CB 0.975 43.253 42.059 0.365 0.000 1.290 345 L HN 0.653 nan 8.230 nan 0.000 0.462 346 A N -1.079 121.912 122.820 0.285 0.000 2.246 346 A HA 0.259 4.564 4.320 -0.024 0.000 0.291 346 A C 0.815 178.396 177.584 -0.006 0.000 1.103 346 A CA 0.077 52.143 52.037 0.048 0.000 0.844 346 A CB 0.022 19.105 19.000 0.138 0.000 1.136 346 A HN 0.993 nan 8.150 nan 0.000 0.500 347 H N -1.527 117.421 119.070 -0.203 0.000 2.457 347 H HA -0.016 4.526 4.556 -0.024 0.000 0.294 347 H C 0.289 175.535 175.328 -0.137 0.000 1.064 347 H CA 1.391 57.349 56.048 -0.150 0.000 1.330 347 H CB -0.134 29.500 29.762 -0.213 0.000 1.395 347 H HN 0.604 nan 8.280 nan 0.000 0.541 348 D N 0.773 120.746 120.400 -0.711 0.000 2.491 348 D HA 0.283 4.908 4.640 -0.024 0.000 0.228 348 D C 0.314 176.466 176.300 -0.246 0.000 1.183 348 D CA -0.205 53.438 54.000 -0.596 0.000 0.827 348 D CB 0.034 40.390 40.800 -0.740 0.000 0.989 348 D HN 0.592 nan 8.370 nan 0.000 0.494 349 A N 0.687 123.415 122.820 -0.153 0.000 2.407 349 A HA 0.487 4.793 4.320 -0.024 0.000 0.248 349 A C 0.962 178.497 177.584 -0.081 0.000 1.082 349 A CA -0.232 51.773 52.037 -0.054 0.000 0.785 349 A CB 0.098 19.102 19.000 0.006 0.000 1.020 349 A HN 0.394 nan 8.150 nan 0.000 0.489 350 T N -0.005 114.523 114.554 -0.044 0.000 2.868 350 T HA 0.263 4.598 4.350 -0.024 0.000 0.292 350 T C 0.974 175.632 174.700 -0.070 0.000 1.028 350 T CA -0.259 61.810 62.100 -0.050 0.000 1.059 350 T CB 0.433 69.281 68.868 -0.034 0.000 0.991 350 T HN 0.537 nan 8.240 nan 0.000 0.531 351 L N 0.925 122.115 121.223 -0.054 0.000 2.265 351 L HA 0.061 4.387 4.340 -0.024 0.000 0.215 351 L C 2.273 179.088 176.870 -0.091 0.000 1.117 351 L CA 1.719 56.523 54.840 -0.060 0.000 0.782 351 L CB -0.883 41.178 42.059 0.004 0.000 0.914 351 L HN 0.810 nan 8.230 nan 0.000 0.441 352 E N -0.890 119.251 120.200 -0.100 0.000 2.102 352 E HA -0.084 4.251 4.350 -0.024 0.000 0.190 352 E C 1.997 178.443 176.600 -0.257 0.000 0.971 352 E CA 0.788 57.083 56.400 -0.174 0.000 0.821 352 E CB -0.109 29.531 29.700 -0.099 0.000 0.777 352 E HN 0.466 nan 8.360 nan 0.000 0.460 353 E N 0.117 120.228 120.200 -0.148 0.000 2.265 353 E HA -0.094 4.242 4.350 -0.024 0.000 0.196 353 E C 1.844 178.378 176.600 -0.112 0.000 0.996 353 E CA 0.915 57.247 56.400 -0.113 0.000 0.832 353 E CB -0.062 29.630 29.700 -0.014 0.000 0.756 353 E HN 0.337 nan 8.360 nan 0.000 0.491 354 G N 0.542 109.270 108.800 -0.121 0.000 2.662 354 G HA2 -0.105 3.840 3.960 -0.024 0.000 0.212 354 G HA3 -0.105 3.840 3.960 -0.024 0.000 0.212 354 G C 1.421 176.249 174.900 -0.120 0.000 1.141 354 G CA -0.127 44.918 45.100 -0.091 0.000 0.797 354 G HN 0.101 nan 8.290 nan 0.000 0.531 355 L N 0.435 121.533 121.223 -0.209 0.000 2.095 355 L HA 0.253 4.578 4.340 -0.024 0.000 0.204 355 L C 2.410 179.107 176.870 -0.287 0.000 1.080 355 L CA 1.207 55.917 54.840 -0.216 0.000 0.759 355 L CB -0.580 41.339 42.059 -0.234 0.000 0.914 355 L HN 0.158 nan 8.230 nan 0.000 0.439 356 L N 0.366 121.230 121.223 -0.599 0.000 2.017 356 L HA -0.046 4.279 4.340 -0.024 0.000 0.208 356 L C 2.472 179.278 176.870 -0.108 0.000 1.073 356 L CA 2.203 56.766 54.840 -0.462 0.000 0.745 356 L CB -1.254 40.486 42.059 -0.532 0.000 0.894 356 L HN 0.250 nan 8.230 nan 0.000 0.432 357 A N -1.456 121.301 122.820 -0.106 0.000 2.019 357 A HA -0.214 4.092 4.320 -0.024 0.000 0.219 357 A C 2.530 180.126 177.584 0.021 0.000 1.164 357 A CA 1.841 53.865 52.037 -0.022 0.000 0.644 357 A CB -1.033 17.979 19.000 0.020 0.000 0.805 357 A HN 0.599 nan 8.150 nan 0.000 0.449 358 S N -0.782 114.927 115.700 0.014 0.000 2.371 358 S HA -0.128 4.327 4.470 -0.024 0.000 0.224 358 S C 1.872 176.508 174.600 0.060 0.000 1.029 358 S CA 1.428 59.656 58.200 0.045 0.000 0.978 358 S CB -0.278 62.943 63.200 0.034 0.000 0.833 358 S HN 0.544 nan 8.310 nan 0.000 0.466 359 E N 1.117 121.364 120.200 0.079 0.000 2.076 359 E HA -0.013 4.322 4.350 -0.024 0.000 0.190 359 E C 2.090 178.741 176.600 0.085 0.000 0.979 359 E CA 0.653 57.119 56.400 0.110 0.000 0.807 359 E CB -0.786 29.039 29.700 0.208 0.000 0.761 359 E HN 0.506 nan 8.360 nan 0.000 0.454 360 L N 1.041 122.309 121.223 0.075 0.000 2.042 360 L HA -0.107 4.218 4.340 -0.024 0.000 0.210 360 L C 2.015 178.909 176.870 0.040 0.000 1.076 360 L CA 2.244 57.115 54.840 0.051 0.000 0.749 360 L CB -0.557 41.516 42.059 0.025 0.000 0.893 360 L HN 0.045 nan 8.230 nan 0.000 0.432 361 A N -1.513 121.331 122.820 0.041 0.000 2.178 361 A HA -0.044 4.262 4.320 -0.024 0.000 0.211 361 A C 2.318 179.925 177.584 0.038 0.000 1.157 361 A CA 0.996 53.056 52.037 0.038 0.000 0.780 361 A CB -0.382 18.646 19.000 0.047 0.000 0.828 361 A HN 0.502 nan 8.150 nan 0.000 0.476 362 K N -0.100 120.327 120.400 0.044 0.000 2.029 362 K HA 0.117 4.422 4.320 -0.024 0.000 0.205 362 K C 2.248 178.867 176.600 0.033 0.000 1.042 362 K CA 0.916 57.228 56.287 0.041 0.000 0.949 362 K CB -0.291 32.238 32.500 0.049 0.000 0.740 362 K HN 0.266 nan 8.250 nan 0.000 0.442 363 A N 1.591 124.433 122.820 0.035 0.000 1.851 363 A HA -0.152 4.153 4.320 -0.024 0.000 0.216 363 A C 1.429 179.027 177.584 0.024 0.000 1.195 363 A CA 1.222 53.276 52.037 0.028 0.000 0.622 363 A CB -0.747 18.270 19.000 0.029 0.000 0.831 363 A HN 0.408 nan 8.150 nan 0.000 0.444 364 L N 1.525 122.764 121.223 0.026 0.000 2.388 364 L HA 0.131 4.457 4.340 -0.024 0.000 0.252 364 L C -0.191 176.691 176.870 0.020 0.000 1.357 364 L CA -0.059 54.795 54.840 0.024 0.000 1.214 364 L CB -1.038 41.038 42.059 0.028 0.000 1.392 364 L HN 0.201 nan 8.230 nan 0.000 0.432 365 K N 2.302 122.711 120.400 0.015 0.000 2.272 365 K HA -0.060 4.245 4.320 -0.024 0.000 0.259 365 K C 0.314 176.908 176.600 -0.010 0.000 1.280 365 K CA 0.566 56.857 56.287 0.006 0.000 1.275 365 K CB -0.496 32.007 32.500 0.006 0.000 0.800 365 K HN 0.579 nan 8.250 nan 0.000 0.484 366 T N 1.894 116.433 114.554 -0.025 0.000 2.906 366 T HA 0.427 4.762 4.350 -0.024 0.000 0.295 366 T C -1.983 172.643 174.700 -0.122 0.000 1.061 366 T CA -1.941 60.107 62.100 -0.087 0.000 1.000 366 T CB 1.521 70.359 68.868 -0.049 0.000 1.103 366 T HN 0.286 nan 8.240 nan 0.000 0.486 367 P HA 0.171 nan 4.420 nan 0.000 0.232 367 P C -0.367 176.876 177.300 -0.095 0.000 1.170 367 P CA 0.441 63.432 63.100 -0.182 0.000 0.824 367 P CB -0.015 31.554 31.700 -0.218 0.000 0.896 368 H N 1.404 120.531 119.070 0.096 0.000 2.724 368 H HA 0.618 5.160 4.556 -0.024 0.000 0.278 368 H C 0.053 175.451 175.328 0.115 0.000 1.159 368 H CA -1.315 54.823 56.048 0.149 0.000 1.254 368 H CB -0.331 29.550 29.762 0.197 0.000 1.412 368 H HN 0.034 nan 8.280 nan 0.000 0.488 369 L N 0.513 121.901 121.223 0.276 0.000 2.438 369 L HA 0.807 5.133 4.340 -0.024 0.000 0.270 369 L C -1.636 175.461 176.870 0.378 0.000 0.972 369 L CA -0.727 54.257 54.840 0.241 0.000 0.831 369 L CB 2.446 44.595 42.059 0.149 0.000 1.273 369 L HN 0.441 nan 8.230 nan 0.000 0.405 370 D N 2.558 123.288 120.400 0.550 0.000 2.664 370 D HA 0.673 5.299 4.640 -0.024 0.000 0.292 370 D C -1.617 175.002 176.300 0.533 0.000 1.214 370 D CA -0.129 54.168 54.000 0.495 0.000 0.932 370 D CB 2.324 43.393 40.800 0.448 0.000 1.420 370 D HN 0.514 nan 8.370 nan 0.000 0.471 371 F N -0.470 119.625 119.950 0.242 0.000 2.565 371 F HA 0.425 4.938 4.527 -0.024 0.000 0.313 371 F C 1.283 176.864 175.800 -0.366 0.000 1.091 371 F CA -0.857 57.172 58.000 0.048 0.000 0.915 371 F CB 1.324 40.329 39.000 0.008 0.000 1.208 371 F HN 0.376 nan 8.300 nan 0.000 0.453 372 Q N 1.812 121.309 119.800 -0.504 0.000 2.268 372 Q HA -0.178 4.147 4.340 -0.024 0.000 0.213 372 Q C 1.463 176.449 176.000 -1.691 0.000 0.995 372 Q CA 2.498 57.522 55.803 -1.299 0.000 0.901 372 Q CB -0.390 27.546 28.738 -1.336 0.000 0.921 372 Q HN 1.150 nan 8.270 nan 0.000 0.421 373 G N -0.381 107.828 108.800 -0.986 0.000 3.192 373 G HA2 0.035 3.981 3.960 -0.024 0.000 0.239 373 G HA3 0.035 3.981 3.960 -0.024 0.000 0.239 373 G C 0.048 174.587 174.900 -0.601 0.000 1.084 373 G CA -0.538 44.072 45.100 -0.816 0.000 0.784 373 G HN 0.153 nan 8.290 nan 0.000 0.540 374 R N 1.979 121.894 120.500 -0.974 0.000 2.478 374 R HA -0.002 4.324 4.340 -0.024 0.000 0.281 374 R C -0.127 176.156 176.300 -0.029 0.000 0.939 374 R CA 1.079 56.744 56.100 -0.725 0.000 1.120 374 R CB 0.044 29.739 30.300 -1.009 0.000 0.885 374 R HN 0.227 nan 8.270 nan 0.000 0.415 375 T N 1.415 116.003 114.554 0.056 0.000 2.867 375 T HA 0.449 4.785 4.350 -0.024 0.000 0.282 375 T C 1.378 176.152 174.700 0.124 0.000 1.000 375 T CA -0.438 61.737 62.100 0.126 0.000 1.042 375 T CB 1.941 70.888 68.868 0.131 0.000 0.973 375 T HN 0.607 nan 8.240 nan 0.000 0.465 376 A N 2.388 125.279 122.820 0.118 0.000 1.884 376 A HA 0.250 4.556 4.320 -0.024 0.000 0.219 376 A C 1.623 179.264 177.584 0.095 0.000 1.197 376 A CA 1.370 53.462 52.037 0.093 0.000 0.637 376 A CB -1.198 17.848 19.000 0.078 0.000 0.827 376 A HN 1.407 nan 8.150 nan 0.000 0.450 377 A N 0.288 123.176 122.820 0.113 0.000 2.252 377 A HA 0.589 4.894 4.320 -0.024 0.000 0.309 377 A C -2.690 174.992 177.584 0.164 0.000 1.285 377 A CA -1.735 50.376 52.037 0.122 0.000 0.900 377 A CB 0.044 19.132 19.000 0.146 0.000 1.157 377 A HN 0.202 nan 8.150 nan 0.000 0.536 378 P HA 0.103 nan 4.420 nan 0.000 0.264 378 P C 0.854 178.294 177.300 0.233 0.000 1.193 378 P CA 0.516 63.718 63.100 0.171 0.000 0.763 378 P CB 1.028 32.795 31.700 0.112 0.000 0.810 379 A N 3.096 126.078 122.820 0.271 0.000 2.070 379 A HA -0.124 4.181 4.320 -0.024 0.000 0.220 379 A C 1.980 179.756 177.584 0.321 0.000 1.159 379 A CA 1.503 53.738 52.037 0.329 0.000 0.656 379 A CB -1.055 18.074 19.000 0.215 0.000 0.800 379 A HN 0.483 nan 8.150 nan 0.000 0.453 380 S N 0.035 115.849 115.700 0.190 0.000 2.555 380 S HA 0.012 4.467 4.470 -0.024 0.000 0.230 380 S C 1.623 176.176 174.600 -0.078 0.000 0.978 380 S CA 0.215 58.450 58.200 0.059 0.000 0.934 380 S CB -0.210 62.980 63.200 -0.018 0.000 0.766 380 S HN 0.437 nan 8.310 nan 0.000 0.533 381 L N 0.732 121.889 121.223 -0.110 0.000 2.012 381 L HA -0.005 4.320 4.340 -0.024 0.000 0.210 381 L C 0.329 176.945 176.870 -0.423 0.000 1.073 381 L CA 1.711 56.298 54.840 -0.421 0.000 0.748 381 L CB -1.032 40.504 42.059 -0.871 0.000 0.891 381 L HN 0.266 nan 8.230 nan 0.000 0.431 382 F N 0.305 120.252 119.950 -0.005 0.000 2.377 382 F HA 0.362 4.875 4.527 -0.024 0.000 0.328 382 F C -1.665 174.142 175.800 0.011 0.000 1.094 382 F CA -2.987 55.020 58.000 0.012 0.000 1.093 382 F CB -0.634 38.385 39.000 0.031 0.000 1.214 382 F HN -0.046 nan 8.300 nan 0.000 0.518 383 P HA 0.183 nan 4.420 nan 0.000 0.276 383 P C -2.697 174.680 177.300 0.127 0.000 1.264 383 P CA -1.341 61.834 63.100 0.126 0.000 0.769 383 P CB 0.410 32.170 31.700 0.101 0.000 0.840 384 P HA 0.121 nan 4.420 nan 0.000 0.268 384 P C -0.407 176.928 177.300 0.058 0.000 1.205 384 P CA 0.377 63.526 63.100 0.081 0.000 0.771 384 P CB 0.441 32.189 31.700 0.079 0.000 0.858 385 A N 2.423 125.266 122.820 0.039 0.000 2.330 385 A HA 0.543 4.848 4.320 -0.024 0.000 0.327 385 A C 0.165 177.756 177.584 0.011 0.000 1.155 385 A CA -0.462 51.588 52.037 0.023 0.000 0.803 385 A CB 0.788 19.795 19.000 0.011 0.000 1.208 385 A HN 0.430 nan 8.150 nan 0.000 0.477 386 S N 1.499 117.205 115.700 0.010 0.000 2.565 386 S HA 0.302 4.757 4.470 -0.024 0.000 0.274 386 S C 1.124 175.721 174.600 -0.005 0.000 1.309 386 S CA -0.672 57.532 58.200 0.007 0.000 1.043 386 S CB 0.075 63.282 63.200 0.012 0.000 0.939 386 S HN 0.555 nan 8.310 nan 0.000 0.504 387 L N 4.127 125.347 121.223 -0.005 0.000 2.137 387 L HA -0.086 4.239 4.340 -0.024 0.000 0.213 387 L C 2.460 179.326 176.870 -0.006 0.000 1.085 387 L CA 1.971 56.804 54.840 -0.012 0.000 0.760 387 L CB -1.305 40.754 42.059 0.000 0.000 0.893 387 L HN 0.852 nan 8.230 nan 0.000 0.434 388 E N -0.081 120.123 120.200 0.007 0.000 2.049 388 E HA -0.247 4.088 4.350 -0.024 0.000 0.198 388 E C 1.835 178.443 176.600 0.013 0.000 1.007 388 E CA 1.797 58.206 56.400 0.015 0.000 0.809 388 E CB -0.103 29.607 29.700 0.016 0.000 0.749 388 E HN 0.454 nan 8.360 nan 0.000 0.450 389 D N -0.092 120.310 120.400 0.003 0.000 2.158 389 D HA -0.190 4.435 4.640 -0.024 0.000 0.197 389 D C 1.959 178.246 176.300 -0.022 0.000 0.995 389 D CA 0.929 54.928 54.000 -0.001 0.000 0.846 389 D CB -0.405 40.392 40.800 -0.005 0.000 0.941 389 D HN 0.202 nan 8.370 nan 0.000 0.456 390 L N 0.635 121.819 121.223 -0.064 0.000 2.046 390 L HA -0.119 4.206 4.340 -0.024 0.000 0.208 390 L C 2.171 178.971 176.870 -0.116 0.000 1.077 390 L CA 1.378 56.107 54.840 -0.185 0.000 0.747 390 L CB -0.501 41.432 42.059 -0.210 0.000 0.896 390 L HN 0.030 nan 8.230 nan 0.000 0.432 391 L N -1.044 120.215 121.223 0.060 0.000 2.141 391 L HA -0.187 4.139 4.340 -0.024 0.000 0.209 391 L C 2.421 179.445 176.870 0.258 0.000 1.094 391 L CA 1.153 56.133 54.840 0.233 0.000 0.763 391 L CB -0.491 41.645 42.059 0.129 0.000 0.908 391 L HN 0.450 nan 8.230 nan 0.000 0.437 392 Q N -0.253 119.631 119.800 0.140 0.000 2.424 392 Q HA 0.155 4.480 4.340 -0.024 0.000 0.204 392 Q C 0.956 177.035 176.000 0.131 0.000 0.933 392 Q CA 0.160 56.028 55.803 0.108 0.000 0.929 392 Q CB 0.265 29.036 28.738 0.055 0.000 1.037 392 Q HN 0.427 nan 8.270 nan 0.000 0.511 393 A N 1.483 124.402 122.820 0.165 0.000 2.366 393 A HA 0.004 4.310 4.320 -0.024 0.000 0.250 393 A C 0.327 178.086 177.584 0.292 0.000 1.099 393 A CA 0.023 52.153 52.037 0.155 0.000 0.794 393 A CB 0.323 19.336 19.000 0.020 0.000 1.056 393 A HN 0.055 nan 8.150 nan 0.000 0.499 394 D N -1.334 119.188 120.400 0.204 0.000 2.566 394 D HA 0.174 4.799 4.640 -0.024 0.000 0.253 394 D C -0.314 176.181 176.300 0.325 0.000 0.992 394 D CA 0.983 55.102 54.000 0.198 0.000 0.940 394 D CB 0.064 40.924 40.800 0.099 0.000 1.095 394 D HN 0.373 nan 8.370 nan 0.000 0.480 395 F N 0.692 120.713 119.950 0.118 0.000 2.546 395 F HA 0.588 5.100 4.527 -0.024 0.000 0.320 395 F C -1.234 174.661 175.800 0.158 0.000 1.076 395 F CA -1.303 56.789 58.000 0.153 0.000 0.928 395 F CB 1.864 40.899 39.000 0.059 0.000 1.189 395 F HN -0.159 nan 8.300 nan 0.000 0.465 396 A N 5.935 128.389 122.820 -0.608 0.000 2.360 396 A HA 0.592 4.898 4.320 -0.024 0.000 0.309 396 A C -1.928 175.416 177.584 -0.400 0.000 1.311 396 A CA -0.540 51.265 52.037 -0.386 0.000 0.805 396 A CB 0.404 19.206 19.000 -0.331 0.000 1.144 396 A HN 0.656 nan 8.150 nan 0.000 0.486 397 L N 4.211 125.469 121.223 0.057 0.000 2.261 397 L HA 0.603 4.929 4.340 -0.024 0.000 0.289 397 L C -0.809 176.099 176.870 0.064 0.000 1.059 397 L CA 0.047 55.006 54.840 0.198 0.000 0.816 397 L CB 1.108 43.453 42.059 0.476 0.000 1.191 397 L HN 0.372 nan 8.230 nan 0.000 0.431 398 V N 6.487 126.399 119.914 -0.003 0.000 2.487 398 V HA 0.492 4.598 4.120 -0.024 0.000 0.298 398 V C -0.731 175.386 176.094 0.037 0.000 1.028 398 V CA -0.574 61.716 62.300 -0.017 0.000 0.860 398 V CB 1.720 33.500 31.823 -0.072 0.000 0.991 398 V HN 0.466 nan 8.190 nan 0.000 0.427 399 L N 4.690 125.948 121.223 0.059 0.000 2.388 399 L HA 0.970 5.296 4.340 -0.024 0.000 0.267 399 L C 0.418 177.339 176.870 0.085 0.000 0.995 399 L CA 0.280 55.190 54.840 0.116 0.000 0.864 399 L CB 1.236 43.352 42.059 0.096 0.000 1.216 399 L HN 1.002 nan 8.230 nan 0.000 0.430 400 G N 1.353 110.211 108.800 0.097 0.000 2.347 400 G HA2 0.161 4.106 3.960 -0.024 0.000 0.477 400 G HA3 0.161 4.106 3.960 -0.024 0.000 0.477 400 G C -1.910 172.999 174.900 0.014 0.000 1.349 400 G CA -0.969 44.178 45.100 0.078 0.000 1.000 400 G HN 0.339 nan 8.290 nan 0.000 0.605 401 D N 0.776 121.188 120.400 0.020 0.000 2.472 401 D HA 0.584 5.210 4.640 -0.024 0.000 0.234 401 D C -1.025 175.287 176.300 0.021 0.000 1.088 401 D CA -2.164 51.826 54.000 -0.018 0.000 0.882 401 D CB 1.799 42.594 40.800 -0.008 0.000 1.037 401 D HN -0.015 nan 8.370 nan 0.000 0.520 402 P HA -0.181 nan 4.420 nan 0.000 0.218 402 P C 1.253 178.612 177.300 0.099 0.000 1.152 402 P CA 1.362 64.478 63.100 0.028 0.000 0.857 402 P CB 0.245 31.939 31.700 -0.010 0.000 0.787 403 T N -0.610 114.023 114.554 0.132 0.000 2.699 403 T HA -0.179 4.157 4.350 -0.024 0.000 0.268 403 T C 1.462 176.223 174.700 0.102 0.000 1.036 403 T CA 1.452 63.691 62.100 0.231 0.000 1.147 403 T CB -0.433 68.566 68.868 0.217 0.000 0.862 403 T HN 0.273 nan 8.240 nan 0.000 0.446 404 E N 0.370 120.613 120.200 0.071 0.000 2.244 404 E HA 0.076 4.412 4.350 -0.024 0.000 0.196 404 E C 2.294 178.893 176.600 -0.003 0.000 0.939 404 E CA 0.388 56.804 56.400 0.025 0.000 0.884 404 E CB 0.009 29.753 29.700 0.073 0.000 0.850 404 E HN 0.609 nan 8.360 nan 0.000 0.481 405 E N 1.268 121.479 120.200 0.018 0.000 2.014 405 E HA 0.054 4.390 4.350 -0.024 0.000 0.190 405 E C 0.640 177.239 176.600 -0.001 0.000 0.980 405 E CA 0.859 57.259 56.400 -0.001 0.000 0.807 405 E CB 0.197 29.902 29.700 0.010 0.000 0.770 405 E HN 0.012 nan 8.360 nan 0.000 0.451 406 A N 1.489 124.323 122.820 0.023 0.000 3.105 406 A HA 0.324 4.629 4.320 -0.024 0.000 0.336 406 A C -2.161 175.475 177.584 0.087 0.000 1.042 406 A CA -1.280 50.777 52.037 0.034 0.000 0.851 406 A CB 0.438 19.451 19.000 0.020 0.000 1.068 406 A HN -0.074 nan 8.150 nan 0.000 0.477 407 P HA -0.230 nan 4.420 nan 0.000 0.217 407 P C 1.387 178.922 177.300 0.391 0.000 1.158 407 P CA 1.083 64.347 63.100 0.273 0.000 0.887 407 P CB 0.187 31.980 31.700 0.156 0.000 0.792 408 I N -1.369 119.343 120.570 0.237 0.000 2.423 408 I HA -0.183 3.972 4.170 -0.024 0.000 0.254 408 I C 2.119 178.274 176.117 0.064 0.000 1.151 408 I CA 1.081 62.452 61.300 0.119 0.000 1.421 408 I CB -1.117 36.946 38.000 0.104 0.000 1.079 408 I HN -0.085 nan 8.210 nan 0.000 0.431 409 L N -0.958 120.316 121.223 0.085 0.000 2.261 409 L HA -0.280 4.045 4.340 -0.024 0.000 0.216 409 L C 2.426 179.338 176.870 0.071 0.000 1.114 409 L CA 1.328 56.197 54.840 0.049 0.000 0.777 409 L CB -0.846 41.226 42.059 0.023 0.000 0.910 409 L HN 0.397 nan 8.230 nan 0.000 0.440 410 H N 0.348 119.420 119.070 0.004 0.000 2.352 410 H HA -0.172 4.369 4.556 -0.024 0.000 0.299 410 H C 2.184 177.472 175.328 -0.067 0.000 1.097 410 H CA 1.562 57.599 56.048 -0.018 0.000 1.311 410 H CB 0.207 30.001 29.762 0.053 0.000 1.377 410 H HN 0.248 nan 8.280 nan 0.000 0.504 411 L N -0.326 120.900 121.223 0.004 0.000 2.375 411 L HA 0.016 4.342 4.340 -0.024 0.000 0.215 411 L C 2.077 178.954 176.870 0.011 0.000 1.108 411 L CA 0.170 54.955 54.840 -0.090 0.000 0.830 411 L CB -0.051 41.812 42.059 -0.327 0.000 0.959 411 L HN 0.219 nan 8.230 nan 0.000 0.457 412 R N 0.298 120.820 120.500 0.037 0.000 2.200 412 R HA 0.096 4.421 4.340 -0.024 0.000 0.208 412 R C 2.025 178.382 176.300 0.094 0.000 1.033 412 R CA 0.699 56.830 56.100 0.051 0.000 1.000 412 R CB -0.471 29.843 30.300 0.023 0.000 0.906 412 R HN 0.360 nan 8.270 nan 0.000 0.462 413 L N 0.209 121.500 121.223 0.114 0.000 2.270 413 L HA 0.037 4.362 4.340 -0.024 0.000 0.210 413 L C 2.343 179.360 176.870 0.246 0.000 1.104 413 L CA 0.728 55.689 54.840 0.201 0.000 0.804 413 L CB -0.280 41.865 42.059 0.143 0.000 0.937 413 L HN 0.114 nan 8.230 nan 0.000 0.450 414 S N -0.224 115.609 115.700 0.222 0.000 2.402 414 S HA -0.158 4.297 4.470 -0.024 0.000 0.229 414 S C 1.799 176.308 174.600 -0.151 0.000 1.021 414 S CA 1.235 59.402 58.200 -0.056 0.000 0.974 414 S CB 0.016 63.280 63.200 0.108 0.000 0.800 414 S HN 0.443 nan 8.310 nan 0.000 0.484 415 E N -0.545 119.650 120.200 -0.007 0.000 2.122 415 E HA -0.028 4.307 4.350 -0.024 0.000 0.190 415 E C 1.717 178.330 176.600 0.022 0.000 0.977 415 E CA 0.794 57.196 56.400 0.003 0.000 0.820 415 E CB -0.248 29.486 29.700 0.057 0.000 0.770 415 E HN 0.672 nan 8.360 nan 0.000 0.462 416 F N 1.573 121.482 119.950 -0.068 0.000 2.146 416 F HA -0.166 4.346 4.527 -0.024 0.000 0.298 416 F C 2.096 177.840 175.800 -0.094 0.000 1.096 416 F CA 0.872 58.835 58.000 -0.063 0.000 1.275 416 F CB -0.235 38.739 39.000 -0.044 0.000 1.008 416 F HN -0.241 nan 8.300 nan 0.000 0.480 417 V N 1.046 120.834 119.914 -0.210 0.000 2.407 417 V HA -0.270 3.836 4.120 -0.024 0.000 0.248 417 V C 2.342 178.218 176.094 -0.364 0.000 1.055 417 V CA 2.127 64.217 62.300 -0.351 0.000 1.049 417 V CB -0.569 31.043 31.823 -0.351 0.000 0.662 417 V HN 0.297 nan 8.190 nan 0.000 0.455 418 R N -0.911 119.407 120.500 -0.303 0.000 2.313 418 R HA 0.009 4.334 4.340 -0.024 0.000 0.199 418 R C 0.936 177.125 176.300 -0.185 0.000 0.958 418 R CA 0.642 56.600 56.100 -0.237 0.000 1.047 418 R CB -0.071 30.111 30.300 -0.195 0.000 0.955 418 R HN 0.479 nan 8.270 nan 0.000 0.481 419 D N -0.937 119.329 120.400 -0.224 0.000 2.911 419 D HA -0.145 4.481 4.640 -0.024 0.000 0.199 419 D C -0.668 175.574 176.300 -0.097 0.000 1.041 419 D CA 0.641 54.530 54.000 -0.185 0.000 1.013 419 D CB -0.740 39.969 40.800 -0.151 0.000 1.093 419 D HN 0.116 nan 8.370 nan 0.000 0.431 420 L N -0.047 121.136 121.223 -0.067 0.000 2.514 420 L HA 0.116 4.441 4.340 -0.024 0.000 0.280 420 L C 0.890 177.765 176.870 0.008 0.000 1.223 420 L CA 0.936 55.767 54.840 -0.014 0.000 0.864 420 L CB 0.353 42.420 42.059 0.013 0.000 1.118 420 L HN -0.020 nan 8.230 nan 0.000 0.494 421 K N 2.571 122.975 120.400 0.008 0.000 2.443 421 K HA 0.432 4.738 4.320 -0.024 0.000 0.251 421 K C -2.486 174.110 176.600 -0.007 0.000 0.972 421 K CA -1.841 54.451 56.287 0.008 0.000 0.833 421 K CB 1.669 34.165 32.500 -0.007 0.000 1.317 421 K HN 0.236 nan 8.250 nan 0.000 0.441 422 P HA -0.059 nan 4.420 nan 0.000 0.255 422 P C -2.259 174.988 177.300 -0.089 0.000 1.161 422 P CA -0.397 62.695 63.100 -0.014 0.000 0.768 422 P CB -0.334 31.358 31.700 -0.012 0.000 0.746 423 P HA 0.029 nan 4.420 nan 0.000 0.271 423 P C -0.154 177.056 177.300 -0.150 0.000 1.244 423 P CA 0.112 63.154 63.100 -0.096 0.000 0.793 423 P CB 0.588 32.309 31.700 0.034 0.000 0.984 424 H N 0.440 119.544 119.070 0.056 0.000 2.607 424 H HA 0.261 4.802 4.556 -0.024 0.000 0.367 424 H C 0.683 175.995 175.328 -0.026 0.000 1.181 424 H CA 0.150 56.169 56.048 -0.049 0.000 1.402 424 H CB 0.832 30.481 29.762 -0.189 0.000 1.474 424 H HN 0.248 nan 8.280 nan 0.000 0.596 425 R N 2.209 122.717 120.500 0.014 0.000 2.265 425 R HA 0.185 4.510 4.340 -0.024 0.000 0.328 425 R C -0.678 175.580 176.300 -0.070 0.000 0.969 425 R CA -0.489 55.631 56.100 0.034 0.000 0.832 425 R CB 0.501 30.821 30.300 0.033 0.000 1.139 425 R HN 0.465 nan 8.270 nan 0.000 0.457 426 Y N 1.089 121.319 120.300 -0.116 0.000 2.378 426 Y HA 0.086 4.622 4.550 -0.024 0.000 0.351 426 Y C 1.731 177.697 175.900 0.111 0.000 1.351 426 Y CA -0.586 57.465 58.100 -0.081 0.000 1.616 426 Y CB 0.341 38.693 38.460 -0.182 0.000 1.622 426 Y HN 0.473 nan 8.280 nan 0.000 0.568 427 N N -0.127 118.956 118.700 0.638 0.000 2.244 427 N HA -0.158 4.568 4.740 -0.024 0.000 0.183 427 N C 1.136 176.820 175.510 0.289 0.000 1.016 427 N CA 1.344 54.621 53.050 0.378 0.000 0.866 427 N CB -0.280 38.345 38.487 0.230 0.000 0.980 427 N HN 0.639 nan 8.380 nan 0.000 0.430 428 H N -1.583 117.606 119.070 0.198 0.000 2.519 428 H HA 0.399 4.941 4.556 -0.024 0.000 0.289 428 H C 1.122 176.521 175.328 0.119 0.000 1.040 428 H CA 0.483 56.590 56.048 0.098 0.000 1.165 428 H CB -0.551 29.190 29.762 -0.035 0.000 1.462 428 H HN 0.133 nan 8.280 nan 0.000 0.555 429 G N 1.168 109.909 108.800 -0.098 0.000 2.498 429 G HA2 -0.310 3.635 3.960 -0.024 0.000 0.251 429 G HA3 -0.310 3.635 3.960 -0.024 0.000 0.251 429 G C -0.290 174.544 174.900 -0.111 0.000 1.170 429 G CA -0.132 44.935 45.100 -0.055 0.000 0.944 429 G HN 0.512 nan 8.290 nan 0.000 0.567 430 T N 5.116 119.641 114.554 -0.048 0.000 2.905 430 T HA 0.416 4.752 4.350 -0.024 0.000 0.299 430 T C -1.708 172.932 174.700 -0.100 0.000 1.024 430 T CA 0.571 62.631 62.100 -0.066 0.000 1.151 430 T CB 0.825 69.624 68.868 -0.115 0.000 0.987 430 T HN 0.637 nan 8.240 nan 0.000 0.535 431 P HA 0.016 nan 4.420 nan 0.000 0.266 431 P C 0.243 177.607 177.300 0.107 0.000 1.193 431 P CA -0.129 62.884 63.100 -0.144 0.000 0.770 431 P CB 0.464 32.090 31.700 -0.122 0.000 0.836 432 F N 1.099 120.952 119.950 -0.162 0.000 2.473 432 F HA 0.210 4.722 4.527 -0.025 0.000 0.294 432 F C 1.573 177.323 175.800 -0.083 0.000 1.103 432 F CA 0.354 58.273 58.000 -0.135 0.000 1.442 432 F CB -0.488 38.410 39.000 -0.169 0.000 1.097 432 F HN 0.292 nan 8.300 nan 0.000 0.547 433 A N 0.130 123.027 122.820 0.128 0.000 2.943 433 A HA 0.319 4.624 4.320 -0.024 0.000 0.327 433 A C -1.038 176.577 177.584 0.051 0.000 1.141 433 A CA -0.506 51.579 52.037 0.081 0.000 0.773 433 A CB -0.261 18.796 19.000 0.096 0.000 1.143 433 A HN -0.059 nan 8.150 nan 0.000 0.463 434 D N 2.515 122.941 120.400 0.042 0.000 2.344 434 D HA 0.127 4.752 4.640 -0.024 0.000 0.253 434 D C 1.065 177.404 176.300 0.065 0.000 1.255 434 D CA -0.369 53.665 54.000 0.056 0.000 0.894 434 D CB 0.672 41.501 40.800 0.048 0.000 1.067 434 D HN 0.296 nan 8.370 nan 0.000 0.492 435 L N 3.526 124.793 121.223 0.074 0.000 2.353 435 L HA -0.146 4.180 4.340 -0.024 0.000 0.220 435 L C 2.023 178.927 176.870 0.056 0.000 1.133 435 L CA 1.267 56.146 54.840 0.064 0.000 0.798 435 L CB -0.733 41.366 42.059 0.068 0.000 0.922 435 L HN 0.664 nan 8.230 nan 0.000 0.445 436 Q N 0.244 120.080 119.800 0.061 0.000 2.224 436 Q HA -0.124 4.201 4.340 -0.024 0.000 0.203 436 Q C 0.599 176.620 176.000 0.035 0.000 0.970 436 Q CA 0.614 56.445 55.803 0.046 0.000 0.865 436 Q CB 0.143 28.910 28.738 0.048 0.000 0.922 436 Q HN 0.434 nan 8.270 nan 0.000 0.445 437 I N 3.016 123.614 120.570 0.046 0.000 2.308 437 I HA 0.143 4.299 4.170 -0.024 0.000 0.293 437 I C -0.257 175.881 176.117 0.036 0.000 1.078 437 I CA -0.414 60.911 61.300 0.043 0.000 1.292 437 I CB 0.704 38.745 38.000 0.069 0.000 1.423 437 I HN -0.149 nan 8.210 nan 0.000 0.493 438 K N 5.721 126.132 120.400 0.019 0.000 2.118 438 K HA 0.278 4.583 4.320 -0.024 0.000 0.267 438 K C -0.092 176.518 176.600 0.015 0.000 0.991 438 K CA -0.573 55.724 56.287 0.017 0.000 0.916 438 K CB 1.432 33.936 32.500 0.005 0.000 1.041 438 K HN 0.561 nan 8.250 nan 0.000 0.455 439 E N 1.631 121.846 120.200 0.024 0.000 2.344 439 E HA 0.014 4.350 4.350 -0.024 0.000 0.270 439 E C -0.476 176.130 176.600 0.011 0.000 1.021 439 E CA -0.089 56.328 56.400 0.027 0.000 0.887 439 E CB 0.352 30.078 29.700 0.044 0.000 0.997 439 E HN 0.444 nan 8.360 nan 0.000 0.429 440 R N 2.541 123.043 120.500 0.003 0.000 3.656 440 R HA -0.159 4.166 4.340 -0.024 0.000 0.297 440 R C -0.479 175.803 176.300 -0.031 0.000 1.166 440 R CA 0.607 56.701 56.100 -0.010 0.000 0.799 440 R CB -1.831 28.470 30.300 0.003 0.000 1.285 440 R HN 0.714 nan 8.270 nan 0.000 0.477 441 M N 1.652 121.224 119.600 -0.047 0.000 2.252 441 M HA 0.095 4.561 4.480 -0.024 0.000 0.329 441 M C -1.225 175.018 176.300 -0.095 0.000 1.101 441 M CA -0.680 54.579 55.300 -0.068 0.000 1.117 441 M CB 0.109 32.659 32.600 -0.084 0.000 1.563 441 M HN 0.007 nan 8.290 nan 0.000 0.445 442 P HA 0.141 nan 4.420 nan 0.000 0.271 442 P C -1.339 175.864 177.300 -0.161 0.000 1.218 442 P CA 0.076 63.114 63.100 -0.103 0.000 0.780 442 P CB 0.514 32.168 31.700 -0.078 0.000 0.901 443 R N 2.550 122.936 120.500 -0.189 0.000 2.387 443 R HA 0.410 4.735 4.340 -0.024 0.000 0.314 443 R C 0.295 176.478 176.300 -0.196 0.000 0.958 443 R CA -0.812 55.117 56.100 -0.285 0.000 0.846 443 R CB 1.759 31.786 30.300 -0.454 0.000 1.147 443 R HN 0.444 nan 8.270 nan 0.000 0.447 444 R N 1.389 121.768 120.500 -0.201 0.000 2.242 444 R HA 0.059 4.384 4.340 -0.024 0.000 0.334 444 R C 0.889 177.141 176.300 -0.079 0.000 1.071 444 R CA 0.022 56.043 56.100 -0.132 0.000 0.922 444 R CB 0.792 30.998 30.300 -0.157 0.000 1.023 444 R HN 0.719 nan 8.270 nan 0.000 0.458 445 T N -2.363 112.176 114.554 -0.026 0.000 3.129 445 T HA -0.060 4.275 4.350 -0.024 0.000 0.251 445 T C 0.927 175.656 174.700 0.048 0.000 1.117 445 T CA 0.324 62.437 62.100 0.021 0.000 1.034 445 T CB 0.024 68.910 68.868 0.029 0.000 0.968 445 T HN 0.584 nan 8.240 nan 0.000 0.526 446 D N 0.591 121.017 120.400 0.044 0.000 2.349 446 D HA 0.047 4.672 4.640 -0.024 0.000 0.214 446 D C 1.587 177.993 176.300 0.176 0.000 1.063 446 D CA -0.028 54.035 54.000 0.105 0.000 0.847 446 D CB 0.014 40.857 40.800 0.072 0.000 0.933 446 D HN 0.299 nan 8.370 nan 0.000 0.513 447 K N -0.251 120.191 120.400 0.070 0.000 2.361 447 K HA 0.126 4.431 4.320 -0.024 0.000 0.196 447 K C 0.948 177.479 176.600 -0.116 0.000 1.039 447 K CA 0.098 56.407 56.287 0.036 0.000 1.001 447 K CB 0.440 32.828 32.500 -0.188 0.000 0.795 447 K HN 0.235 nan 8.250 nan 0.000 0.495 448 M N -1.114 118.392 119.600 -0.158 0.000 2.618 448 M HA 0.540 5.006 4.480 -0.024 0.000 0.281 448 M C -2.144 174.014 176.300 -0.237 0.000 1.267 448 M CA -0.740 54.312 55.300 -0.414 0.000 0.845 448 M CB 2.429 34.952 32.600 -0.128 0.000 1.732 448 M HN -0.148 nan 8.290 nan 0.000 0.461 449 A N 3.025 125.681 122.820 -0.274 0.000 2.427 449 A HA 0.759 5.064 4.320 -0.024 0.000 0.298 449 A C -2.050 175.358 177.584 -0.293 0.000 1.036 449 A CA -0.692 51.248 52.037 -0.162 0.000 0.701 449 A CB 1.878 20.912 19.000 0.056 0.000 1.250 449 A HN 0.778 nan 8.150 nan 0.000 0.412 450 L N 2.320 123.305 121.223 -0.396 0.000 2.346 450 L HA 0.783 5.108 4.340 -0.024 0.000 0.276 450 L C -1.879 174.712 176.870 -0.465 0.000 1.006 450 L CA -0.422 54.227 54.840 -0.318 0.000 0.817 450 L CB 1.421 43.371 42.059 -0.182 0.000 1.272 450 L HN 0.678 nan 8.230 nan 0.000 0.421 451 F N 3.100 123.072 119.950 0.037 0.000 2.539 451 F HA 0.727 5.239 4.527 -0.024 0.000 0.328 451 F C 0.116 176.022 175.800 0.177 0.000 1.148 451 F CA -0.715 57.331 58.000 0.077 0.000 0.940 451 F CB 1.974 40.955 39.000 -0.033 0.000 1.194 451 F HN 0.513 nan 8.300 nan 0.000 0.438 452 A N 4.337 127.432 122.820 0.458 0.000 2.574 452 A HA 0.715 5.020 4.320 -0.024 0.000 0.297 452 A C -2.442 175.062 177.584 -0.133 0.000 1.062 452 A CA -1.443 50.708 52.037 0.190 0.000 0.686 452 A CB 1.737 20.644 19.000 -0.156 0.000 1.285 452 A HN 0.347 nan 8.150 nan 0.000 0.403 453 P HA -0.034 nan 4.420 nan 0.000 0.234 453 P C -0.382 177.102 177.300 0.305 0.000 1.162 453 P CA 1.664 64.645 63.100 -0.199 0.000 0.759 453 P CB -0.759 30.839 31.700 -0.169 0.000 0.813 454 Y N -4.317 115.994 120.300 0.018 0.000 2.788 454 Y HA 0.438 4.973 4.550 -0.024 0.000 0.335 454 Y C 0.004 175.958 175.900 0.090 0.000 1.287 454 Y CA -1.845 56.320 58.100 0.109 0.000 1.068 454 Y CB 0.532 39.100 38.460 0.180 0.000 1.340 454 Y HN -0.471 nan 8.280 nan 0.000 0.449 455 R N 2.206 122.788 120.500 0.138 0.000 2.824 455 R HA 0.446 4.772 4.340 -0.024 0.000 0.240 455 R C -0.519 175.716 176.300 -0.108 0.000 1.548 455 R CA 0.479 56.591 56.100 0.019 0.000 1.119 455 R CB -0.636 29.698 30.300 0.056 0.000 1.189 455 R HN 0.790 nan 8.270 nan 0.000 0.596 456 A N 5.749 128.375 122.820 -0.323 0.000 2.462 456 A HA 0.230 4.536 4.320 -0.024 0.000 0.243 456 A C -1.490 175.968 177.584 -0.209 0.000 1.076 456 A CA -1.284 50.524 52.037 -0.383 0.000 0.773 456 A CB 0.327 19.071 19.000 -0.427 0.000 1.010 456 A HN 0.508 nan 8.150 nan 0.000 0.493 457 P HA -0.237 nan 4.420 nan 0.000 0.212 457 P C 1.016 178.102 177.300 -0.357 0.000 1.128 457 P CA 1.631 64.627 63.100 -0.174 0.000 0.961 457 P CB -0.133 31.529 31.700 -0.064 0.000 0.782 458 L N -2.465 118.489 121.223 -0.448 0.000 2.633 458 L HA 0.043 4.368 4.340 -0.024 0.000 0.235 458 L C 2.482 179.118 176.870 -0.389 0.000 1.163 458 L CA 1.011 55.481 54.840 -0.617 0.000 0.859 458 L CB -1.119 40.601 42.059 -0.566 0.000 0.973 458 L HN -0.030 nan 8.230 nan 0.000 0.451 459 M N -0.618 118.802 119.600 -0.299 0.000 2.446 459 M HA -0.212 4.254 4.480 -0.024 0.000 0.263 459 M C 2.141 178.259 176.300 -0.303 0.000 1.066 459 M CA 1.208 56.365 55.300 -0.239 0.000 1.087 459 M CB 0.101 32.605 32.600 -0.161 0.000 1.406 459 M HN 0.102 nan 8.290 nan 0.000 0.459 460 K N 0.152 120.362 120.400 -0.317 0.000 2.002 460 K HA -0.149 4.157 4.320 -0.024 0.000 0.209 460 K C 0.802 177.361 176.600 -0.068 0.000 1.048 460 K CA 1.495 57.637 56.287 -0.243 0.000 0.930 460 K CB -0.283 32.049 32.500 -0.281 0.000 0.714 460 K HN 0.412 nan 8.250 nan 0.000 0.438 461 W N 0.861 122.076 121.300 -0.141 0.000 3.446 461 W HA 0.354 4.999 4.660 -0.024 0.000 0.298 461 W C -0.417 176.032 176.519 -0.116 0.000 1.299 461 W CA -0.373 56.902 57.345 -0.117 0.000 1.686 461 W CB -1.533 27.864 29.460 -0.106 0.000 1.046 461 W HN 0.014 nan 8.180 nan 0.000 0.746 462 A N -0.268 122.564 122.820 0.020 0.000 2.353 462 A HA 0.723 5.029 4.320 -0.024 0.000 0.299 462 A C 0.849 178.414 177.584 -0.031 0.000 1.089 462 A CA 0.038 52.065 52.037 -0.016 0.000 0.736 462 A CB 1.127 20.086 19.000 -0.068 0.000 1.195 462 A HN 0.050 nan 8.150 nan 0.000 0.447 463 A N 3.168 126.018 122.820 0.050 0.000 1.825 463 A HA 0.119 4.424 4.320 -0.024 0.000 0.214 463 A C 1.044 178.759 177.584 0.219 0.000 1.206 463 A CA 1.004 53.106 52.037 0.108 0.000 0.609 463 A CB -0.505 18.561 19.000 0.109 0.000 0.851 463 A HN 0.859 nan 8.150 nan 0.000 0.445 464 I N 2.846 123.511 120.570 0.159 0.000 2.593 464 I HA 0.084 4.239 4.170 -0.024 0.000 0.304 464 I C -0.122 176.001 176.117 0.010 0.000 1.176 464 I CA 0.607 61.977 61.300 0.118 0.000 1.533 464 I CB -1.873 36.209 38.000 0.138 0.000 1.492 464 I HN 0.539 nan 8.210 nan 0.000 0.704 465 H N 3.801 122.806 119.070 -0.109 0.000 2.679 465 H HA 0.749 5.291 4.556 -0.024 0.000 0.360 465 H C -1.429 173.910 175.328 0.018 0.000 1.105 465 H CA -1.121 54.828 56.048 -0.165 0.000 1.196 465 H CB 2.599 32.298 29.762 -0.104 0.000 1.636 465 H HN 0.553 nan 8.280 nan 0.000 0.531 466 E N 2.958 123.208 120.200 0.084 0.000 2.291 466 E HA 0.356 4.691 4.350 -0.024 0.000 0.276 466 E C -1.552 175.241 176.600 0.322 0.000 0.896 466 E CA -0.777 55.749 56.400 0.209 0.000 0.774 466 E CB 2.272 32.188 29.700 0.361 0.000 1.227 466 E HN 0.438 nan 8.360 nan 0.000 0.413 467 V N 5.931 125.955 119.914 0.183 0.000 2.370 467 V HA 0.186 4.291 4.120 -0.024 0.000 0.257 467 V C 0.166 176.370 176.094 0.183 0.000 1.064 467 V CA -0.010 62.399 62.300 0.181 0.000 0.975 467 V CB -0.964 30.933 31.823 0.124 0.000 1.067 467 V HN 0.697 nan 8.190 nan 0.000 0.485 468 H N 4.404 123.539 119.070 0.108 0.000 2.497 468 H HA 0.808 5.349 4.556 -0.024 0.000 0.331 468 H C 0.224 175.613 175.328 0.102 0.000 1.457 468 H CA -1.256 54.829 56.048 0.063 0.000 1.459 468 H CB 0.771 30.535 29.762 0.004 0.000 1.728 468 H HN 0.558 nan 8.280 nan 0.000 0.691 469 R N -0.798 119.737 120.500 0.059 0.000 2.758 469 R HA 0.459 4.785 4.340 -0.024 0.000 0.265 469 R C -2.904 173.384 176.300 -0.020 0.000 1.016 469 R CA -2.238 53.887 56.100 0.042 0.000 1.040 469 R CB 0.256 30.664 30.300 0.179 0.000 1.152 469 R HN 0.372 nan 8.270 nan 0.000 0.503 470 P HA -0.086 nan 4.420 nan 0.000 0.267 470 P C 0.182 177.414 177.300 -0.113 0.000 1.195 470 P CA 1.037 63.941 63.100 -0.326 0.000 0.773 470 P CB 0.223 31.661 31.700 -0.437 0.000 0.837 471 G N 1.625 110.387 108.800 -0.064 0.000 2.385 471 G HA2 -0.297 3.649 3.960 -0.024 0.000 0.284 471 G HA3 -0.297 3.649 3.960 -0.024 0.000 0.284 471 G C 0.555 175.474 174.900 0.031 0.000 0.899 471 G CA 0.824 45.938 45.100 0.023 0.000 1.204 471 G HN 0.720 nan 8.290 nan 0.000 0.486 472 E N -0.872 119.374 120.200 0.075 0.000 2.606 472 E HA 0.040 4.376 4.350 -0.024 0.000 0.224 472 E C 2.174 178.726 176.600 -0.079 0.000 0.930 472 E CA 0.399 56.820 56.400 0.034 0.000 1.125 472 E CB 0.127 29.900 29.700 0.122 0.000 1.123 472 E HN 0.586 nan 8.360 nan 0.000 0.522 473 E N 2.059 122.193 120.200 -0.110 0.000 2.118 473 E HA -0.302 4.034 4.350 -0.024 0.000 0.195 473 E C 1.859 178.374 176.600 -0.143 0.000 0.992 473 E CA 1.316 57.586 56.400 -0.216 0.000 0.804 473 E CB -0.584 29.040 29.700 -0.127 0.000 0.741 473 E HN 0.362 nan 8.360 nan 0.000 0.458 474 R N 1.412 121.869 120.500 -0.073 0.000 2.140 474 R HA -0.216 4.110 4.340 -0.024 0.000 0.250 474 R C 1.894 178.148 176.300 -0.077 0.000 1.150 474 R CA 2.058 58.125 56.100 -0.054 0.000 0.966 474 R CB -0.617 29.667 30.300 -0.026 0.000 0.869 474 R HN 0.300 nan 8.270 nan 0.000 0.445 475 E N 0.560 120.703 120.200 -0.096 0.000 2.086 475 E HA -0.026 4.309 4.350 -0.024 0.000 0.190 475 E C 2.125 178.633 176.600 -0.154 0.000 0.975 475 E CA 0.831 57.169 56.400 -0.103 0.000 0.813 475 E CB -0.090 29.558 29.700 -0.086 0.000 0.768 475 E HN 0.252 nan 8.360 nan 0.000 0.457 476 I N 1.049 121.480 120.570 -0.232 0.000 2.208 476 I HA -0.289 3.866 4.170 -0.024 0.000 0.245 476 I C 2.111 178.071 176.117 -0.261 0.000 1.097 476 I CA 1.119 62.218 61.300 -0.336 0.000 1.363 476 I CB -0.214 37.437 38.000 -0.582 0.000 1.051 476 I HN 0.055 nan 8.210 nan 0.000 0.413 477 L N -0.541 120.558 121.223 -0.206 0.000 2.131 477 L HA -0.185 4.141 4.340 -0.024 0.000 0.210 477 L C 2.343 179.139 176.870 -0.123 0.000 1.092 477 L CA 1.458 56.204 54.840 -0.156 0.000 0.759 477 L CB -0.651 41.342 42.059 -0.111 0.000 0.903 477 L HN 0.247 nan 8.230 nan 0.000 0.435 478 L N -0.928 120.233 121.223 -0.104 0.000 2.017 478 L HA -0.216 4.109 4.340 -0.024 0.000 0.208 478 L C 2.634 179.455 176.870 -0.081 0.000 1.073 478 L CA 1.425 56.218 54.840 -0.077 0.000 0.745 478 L CB -0.318 41.703 42.059 -0.065 0.000 0.894 478 L HN 0.274 nan 8.230 nan 0.000 0.432 479 A N 0.024 122.784 122.820 -0.100 0.000 1.883 479 A HA -0.235 4.070 4.320 -0.024 0.000 0.217 479 A C 2.161 179.694 177.584 -0.084 0.000 1.186 479 A CA 1.902 53.885 52.037 -0.090 0.000 0.624 479 A CB -0.925 18.008 19.000 -0.113 0.000 0.822 479 A HN 0.503 nan 8.150 nan 0.000 0.444 480 L N -0.950 120.204 121.223 -0.115 0.000 2.131 480 L HA -0.187 4.138 4.340 -0.024 0.000 0.210 480 L C 2.590 179.394 176.870 -0.111 0.000 1.092 480 L CA 0.933 55.699 54.840 -0.124 0.000 0.759 480 L CB -0.574 41.367 42.059 -0.198 0.000 0.903 480 L HN 0.385 nan 8.230 nan 0.000 0.435 481 L N -0.292 120.874 121.223 -0.097 0.000 1.989 481 L HA -0.134 4.192 4.340 -0.024 0.000 0.211 481 L C 1.320 178.174 176.870 -0.025 0.000 1.071 481 L CA 1.545 56.351 54.840 -0.057 0.000 0.749 481 L CB -0.446 41.586 42.059 -0.045 0.000 0.890 481 L HN 0.501 nan 8.230 nan 0.000 0.431 482 G N -1.320 107.463 108.800 -0.029 0.000 2.244 482 G HA2 -0.120 3.825 3.960 -0.024 0.000 0.163 482 G HA3 -0.120 3.825 3.960 -0.024 0.000 0.163 482 G C -0.201 174.690 174.900 -0.014 0.000 1.064 482 G CA -0.099 44.993 45.100 -0.014 0.000 0.757 482 G HN 0.271 nan 8.290 nan 0.000 0.484 483 D N -0.312 120.074 120.400 -0.023 0.000 2.503 483 D HA 0.224 4.850 4.640 -0.024 0.000 0.218 483 D C 1.052 177.338 176.300 -0.024 0.000 1.183 483 D CA 0.331 54.319 54.000 -0.020 0.000 0.827 483 D CB 1.136 41.924 40.800 -0.020 0.000 1.034 483 D HN 0.282 nan 8.370 nan 0.000 0.510 484 K N 0.308 120.690 120.400 -0.030 0.000 2.228 484 K HA 0.315 4.621 4.320 -0.024 0.000 0.261 484 K C -1.228 175.353 176.600 -0.031 0.000 0.941 484 K CA -0.484 55.784 56.287 -0.032 0.000 0.792 484 K CB 2.022 34.497 32.500 -0.041 0.000 1.495 484 K HN -0.128 nan 8.250 nan 0.000 0.387 485 E N 0.550 120.729 120.200 -0.034 0.000 2.235 485 E HA 0.449 4.785 4.350 -0.024 0.000 0.252 485 E C -0.685 175.890 176.600 -0.041 0.000 0.886 485 E CA -0.464 55.918 56.400 -0.031 0.000 0.767 485 E CB 1.134 30.821 29.700 -0.022 0.000 1.205 485 E HN 0.678 nan 8.360 nan 0.000 0.421 486 G N 2.026 110.797 108.800 -0.049 0.000 2.522 486 G HA2 0.307 4.252 3.960 -0.024 0.000 0.304 486 G HA3 0.307 4.252 3.960 -0.024 0.000 0.304 486 G C 0.199 175.076 174.900 -0.038 0.000 1.210 486 G CA -0.244 44.816 45.100 -0.066 0.000 0.960 486 G HN 0.584 nan 8.290 nan 0.000 0.497 487 S N -0.865 114.812 115.700 -0.039 0.000 2.611 487 S HA 0.009 4.464 4.470 -0.024 0.000 0.252 487 S C 1.193 175.801 174.600 0.013 0.000 1.369 487 S CA 0.733 58.927 58.200 -0.010 0.000 0.975 487 S CB 0.513 63.711 63.200 -0.003 0.000 0.937 487 S HN 0.692 nan 8.310 nan 0.000 0.584 488 E N 0.056 120.268 120.200 0.020 0.000 2.049 488 E HA -0.175 4.160 4.350 -0.024 0.000 0.198 488 E C 2.182 178.817 176.600 0.059 0.000 1.007 488 E CA 1.558 57.976 56.400 0.030 0.000 0.809 488 E CB -0.283 29.431 29.700 0.023 0.000 0.749 488 E HN 0.557 nan 8.360 nan 0.000 0.450 489 M N 0.509 120.156 119.600 0.078 0.000 2.106 489 M HA -0.147 4.318 4.480 -0.024 0.000 0.259 489 M C 2.442 178.876 176.300 0.223 0.000 1.068 489 M CA 1.186 56.570 55.300 0.140 0.000 1.100 489 M CB -0.748 31.948 32.600 0.160 0.000 1.351 489 M HN 0.038 nan 8.290 nan 0.000 0.404 490 V N -0.179 119.844 119.914 0.183 0.000 2.970 490 V HA -0.124 3.982 4.120 -0.024 0.000 0.260 490 V C 2.535 178.683 176.094 0.089 0.000 1.100 490 V CA 1.334 63.721 62.300 0.145 0.000 1.122 490 V CB -1.345 30.430 31.823 -0.079 0.000 0.721 490 V HN 0.445 nan 8.190 nan 0.000 0.483 491 A N 0.304 123.164 122.820 0.067 0.000 1.878 491 A HA -0.071 4.235 4.320 -0.024 0.000 0.213 491 A C 2.264 179.883 177.584 0.058 0.000 1.192 491 A CA 1.073 53.138 52.037 0.046 0.000 0.619 491 A CB -0.273 18.744 19.000 0.028 0.000 0.837 491 A HN 0.475 nan 8.150 nan 0.000 0.446 492 K N 0.202 120.645 120.400 0.072 0.000 2.152 492 K HA -0.076 4.229 4.320 -0.024 0.000 0.206 492 K C 2.127 178.770 176.600 0.072 0.000 1.048 492 K CA 1.146 57.472 56.287 0.066 0.000 0.933 492 K CB -0.276 32.271 32.500 0.078 0.000 0.721 492 K HN 0.436 nan 8.250 nan 0.000 0.447 493 A N 1.791 124.689 122.820 0.131 0.000 1.898 493 A HA -0.143 4.162 4.320 -0.024 0.000 0.214 493 A C 2.074 179.728 177.584 0.116 0.000 1.183 493 A CA 1.244 53.386 52.037 0.175 0.000 0.622 493 A CB -0.273 18.931 19.000 0.340 0.000 0.824 493 A HN 0.197 nan 8.150 nan 0.000 0.444 494 K N -0.015 120.441 120.400 0.094 0.000 2.032 494 K HA -0.228 4.078 4.320 -0.024 0.000 0.209 494 K C 2.037 178.677 176.600 0.066 0.000 1.048 494 K CA 1.817 58.145 56.287 0.068 0.000 0.927 494 K CB -0.222 32.299 32.500 0.035 0.000 0.712 494 K HN 0.583 nan 8.250 nan 0.000 0.441 495 E N -0.342 119.875 120.200 0.028 0.000 2.204 495 E HA -0.197 4.139 4.350 -0.024 0.000 0.195 495 E C 1.621 178.185 176.600 -0.060 0.000 0.990 495 E CA 0.978 57.378 56.400 0.000 0.000 0.821 495 E CB -0.051 29.648 29.700 -0.001 0.000 0.750 495 E HN 0.459 nan 8.360 nan 0.000 0.477 496 A N 1.353 124.087 122.820 -0.144 0.000 1.874 496 A HA -0.146 4.160 4.320 -0.024 0.000 0.214 496 A C 1.977 179.232 177.584 -0.549 0.000 1.189 496 A CA 0.929 52.718 52.037 -0.414 0.000 0.615 496 A CB -1.105 17.499 19.000 -0.661 0.000 0.830 496 A HN 0.688 nan 8.150 nan 0.000 0.443 497 W N 1.334 122.295 121.300 -0.564 0.000 2.425 497 W HA -0.105 4.541 4.660 -0.024 0.000 0.277 497 W C 1.545 177.984 176.519 -0.132 0.000 1.231 497 W CA 1.742 58.922 57.345 -0.274 0.000 1.248 497 W CB -0.101 29.324 29.460 -0.058 0.000 1.117 497 W HN 0.408 nan 8.180 nan 0.000 0.568 498 E N 0.759 121.026 120.200 0.112 0.000 2.005 498 E HA -0.235 4.100 4.350 -0.024 0.000 0.198 498 E C 1.887 178.455 176.600 -0.053 0.000 1.010 498 E CA 1.658 58.092 56.400 0.055 0.000 0.825 498 E CB -0.768 28.958 29.700 0.043 0.000 0.769 498 E HN 0.325 nan 8.360 nan 0.000 0.456 499 K N 0.678 121.027 120.400 -0.084 0.000 2.504 499 K HA 0.090 4.395 4.320 -0.024 0.000 0.195 499 K C 0.740 177.270 176.600 -0.117 0.000 1.036 499 K CA 0.187 56.422 56.287 -0.086 0.000 0.984 499 K CB 0.028 32.484 32.500 -0.072 0.000 0.788 499 K HN 0.008 nan 8.250 nan 0.000 0.488 500 A N 1.777 124.482 122.820 -0.191 0.000 2.520 500 A HA 0.010 4.315 4.320 -0.024 0.000 0.245 500 A C 0.522 177.994 177.584 -0.187 0.000 1.072 500 A CA 0.015 51.929 52.037 -0.204 0.000 0.761 500 A CB 0.362 19.158 19.000 -0.340 0.000 1.004 500 A HN 0.115 nan 8.150 nan 0.000 0.499 501 K N 1.244 121.577 120.400 -0.112 0.000 2.202 501 K HA 0.138 4.444 4.320 -0.024 0.000 0.201 501 K C 0.193 176.737 176.600 -0.095 0.000 1.051 501 K CA 0.848 57.084 56.287 -0.084 0.000 0.977 501 K CB 0.339 32.815 32.500 -0.040 0.000 0.792 501 K HN 0.532 nan 8.250 nan 0.000 0.469 502 N N 0.701 119.345 118.700 -0.094 0.000 2.785 502 N HA 0.168 4.894 4.740 -0.024 0.000 0.224 502 N C -2.974 172.477 175.510 -0.098 0.000 1.448 502 N CA -0.889 52.106 53.050 -0.092 0.000 0.748 502 N CB 1.754 40.220 38.487 -0.036 0.000 1.385 502 N HN 0.001 nan 8.380 nan 0.000 0.538 503 P HA 0.398 nan 4.420 nan 0.000 0.279 503 P C -0.534 176.680 177.300 -0.144 0.000 1.276 503 P CA -0.401 62.570 63.100 -0.214 0.000 0.801 503 P CB 1.962 33.294 31.700 -0.613 0.000 1.127 504 V N 0.596 120.507 119.914 -0.005 0.000 2.841 504 V HA 0.299 4.405 4.120 -0.024 0.000 0.310 504 V C -0.301 175.930 176.094 0.228 0.000 1.090 504 V CA -0.786 61.560 62.300 0.076 0.000 0.930 504 V CB 2.082 33.885 31.823 -0.033 0.000 1.014 504 V HN 0.394 nan 8.190 nan 0.000 0.425 505 L N 5.309 126.679 121.223 0.245 0.000 2.307 505 L HA 0.690 5.015 4.340 -0.024 0.000 0.284 505 L C -0.704 176.176 176.870 0.017 0.000 1.023 505 L CA 0.191 55.145 54.840 0.191 0.000 0.810 505 L CB 1.118 43.284 42.059 0.180 0.000 1.231 505 L HN 0.527 nan 8.230 nan 0.000 0.423 506 I N 6.371 126.931 120.570 -0.016 0.000 2.465 506 I HA 0.553 4.708 4.170 -0.024 0.000 0.291 506 I C -1.313 174.763 176.117 -0.067 0.000 1.014 506 I CA -0.854 60.408 61.300 -0.064 0.000 1.093 506 I CB 1.775 39.737 38.000 -0.064 0.000 1.267 506 I HN 0.453 nan 8.210 nan 0.000 0.431 507 L N 3.328 124.492 121.223 -0.098 0.000 2.612 507 L HA 0.861 5.187 4.340 -0.024 0.000 0.256 507 L C -0.143 176.685 176.870 -0.071 0.000 0.949 507 L CA -0.333 54.459 54.840 -0.079 0.000 0.867 507 L CB 1.257 43.244 42.059 -0.121 0.000 1.417 507 L HN 0.601 nan 8.230 nan 0.000 0.414 508 G N -0.157 108.635 108.800 -0.014 0.000 2.482 508 G HA2 0.565 4.510 3.960 -0.024 0.000 0.184 508 G HA3 0.565 4.510 3.960 -0.024 0.000 0.184 508 G C 0.587 175.510 174.900 0.037 0.000 1.331 508 G CA 0.777 45.880 45.100 0.005 0.000 0.668 508 G HN 0.928 nan 8.290 nan 0.000 0.631 509 A N 0.641 123.504 122.820 0.073 0.000 2.109 509 A HA 0.483 4.789 4.320 -0.024 0.000 0.220 509 A C 2.574 180.233 177.584 0.125 0.000 1.613 509 A CA 1.803 53.899 52.037 0.099 0.000 0.620 509 A CB -1.253 17.832 19.000 0.141 0.000 1.212 509 A HN 0.882 nan 8.150 nan 0.000 0.508 510 G N -0.586 108.319 108.800 0.174 0.000 2.469 510 G HA2 -0.139 3.807 3.960 -0.024 0.000 0.220 510 G HA3 -0.139 3.807 3.960 -0.024 0.000 0.220 510 G C 1.433 176.395 174.900 0.103 0.000 1.136 510 G CA 1.456 46.650 45.100 0.156 0.000 0.759 510 G HN 0.313 nan 8.290 nan 0.000 0.562 511 V N 0.110 120.073 119.914 0.082 0.000 2.307 511 V HA -0.045 4.061 4.120 -0.024 0.000 0.245 511 V C 2.591 178.739 176.094 0.089 0.000 1.045 511 V CA 1.245 63.581 62.300 0.060 0.000 1.024 511 V CB -0.217 31.618 31.823 0.021 0.000 0.651 511 V HN 0.283 nan 8.190 nan 0.000 0.449 512 L N -0.762 120.514 121.223 0.088 0.000 2.509 512 L HA 0.089 4.415 4.340 -0.024 0.000 0.222 512 L C 1.974 178.918 176.870 0.123 0.000 1.123 512 L CA 1.303 56.216 54.840 0.122 0.000 0.856 512 L CB -0.306 41.810 42.059 0.095 0.000 0.985 512 L HN 0.303 nan 8.230 nan 0.000 0.456 513 Q N -0.991 118.874 119.800 0.109 0.000 2.319 513 Q HA 0.069 4.394 4.340 -0.024 0.000 0.209 513 Q C -0.391 175.665 176.000 0.094 0.000 0.884 513 Q CA 0.115 55.982 55.803 0.107 0.000 0.938 513 Q CB 0.459 29.264 28.738 0.112 0.000 1.098 513 Q HN 0.352 nan 8.270 nan 0.000 0.517 514 D N -1.640 118.813 120.400 0.088 0.000 2.440 514 D HA 0.188 4.814 4.640 -0.024 0.000 0.252 514 D C 0.312 176.649 176.300 0.062 0.000 1.180 514 D CA -0.117 53.925 54.000 0.069 0.000 0.894 514 D CB 1.175 42.012 40.800 0.063 0.000 1.111 514 D HN -0.134 nan 8.370 nan 0.000 0.544 515 T N 2.029 116.615 114.554 0.053 0.000 2.685 515 T HA -0.183 4.153 4.350 -0.024 0.000 0.268 515 T C 1.859 176.580 174.700 0.035 0.000 1.034 515 T CA 1.751 63.878 62.100 0.045 0.000 1.149 515 T CB -0.033 68.854 68.868 0.032 0.000 0.860 515 T HN 0.363 nan 8.240 nan 0.000 0.449 516 V N 1.693 121.623 119.914 0.026 0.000 2.214 516 V HA -0.264 3.842 4.120 -0.024 0.000 0.247 516 V C 2.805 178.908 176.094 0.015 0.000 1.051 516 V CA 2.091 64.399 62.300 0.014 0.000 1.003 516 V CB -1.475 30.352 31.823 0.006 0.000 0.635 516 V HN 0.577 nan 8.190 nan 0.000 0.447 517 A N 0.187 123.018 122.820 0.017 0.000 1.849 517 A HA -0.215 4.090 4.320 -0.024 0.000 0.217 517 A C 2.459 180.073 177.584 0.050 0.000 1.202 517 A CA 2.913 54.958 52.037 0.014 0.000 0.629 517 A CB -1.325 17.680 19.000 0.008 0.000 0.834 517 A HN 0.750 nan 8.150 nan 0.000 0.447 518 A N -0.649 122.225 122.820 0.091 0.000 1.997 518 A HA -0.257 4.049 4.320 -0.024 0.000 0.221 518 A C 1.953 179.628 177.584 0.151 0.000 1.172 518 A CA 2.574 54.721 52.037 0.183 0.000 0.645 518 A CB -0.518 18.606 19.000 0.207 0.000 0.813 518 A HN 0.646 nan 8.150 nan 0.000 0.454 519 E N 0.121 120.359 120.200 0.062 0.000 2.076 519 E HA -0.105 4.231 4.350 -0.024 0.000 0.190 519 E C 2.115 178.727 176.600 0.018 0.000 0.979 519 E CA 1.356 57.765 56.400 0.014 0.000 0.807 519 E CB -0.279 29.421 29.700 -0.000 0.000 0.761 519 E HN 0.647 nan 8.360 nan 0.000 0.454 520 R N 0.350 120.862 120.500 0.019 0.000 2.092 520 R HA 0.028 4.354 4.340 -0.024 0.000 0.231 520 R C 2.440 178.752 176.300 0.019 0.000 1.119 520 R CA 1.100 57.202 56.100 0.004 0.000 0.970 520 R CB -0.560 29.728 30.300 -0.019 0.000 0.864 520 R HN 0.210 nan 8.270 nan 0.000 0.440 521 A N 1.858 124.715 122.820 0.062 0.000 1.859 521 A HA -0.234 4.071 4.320 -0.024 0.000 0.217 521 A C 2.170 179.878 177.584 0.206 0.000 1.198 521 A CA 1.632 53.735 52.037 0.110 0.000 0.629 521 A CB -0.632 18.477 19.000 0.182 0.000 0.830 521 A HN 0.223 nan 8.150 nan 0.000 0.446 522 R N -0.508 120.168 120.500 0.292 0.000 2.193 522 R HA -0.039 4.286 4.340 -0.024 0.000 0.229 522 R C 1.978 178.331 176.300 0.089 0.000 1.110 522 R CA 1.110 57.322 56.100 0.187 0.000 0.988 522 R CB -0.357 29.802 30.300 -0.236 0.000 0.871 522 R HN 0.623 nan 8.270 nan 0.000 0.458 523 L N 0.428 121.684 121.223 0.056 0.000 2.007 523 L HA -0.181 4.145 4.340 -0.024 0.000 0.205 523 L C 2.348 179.256 176.870 0.063 0.000 1.073 523 L CA 0.837 55.700 54.840 0.038 0.000 0.744 523 L CB -0.415 41.652 42.059 0.015 0.000 0.898 523 L HN 0.224 nan 8.230 nan 0.000 0.435 524 L N 0.688 121.933 121.223 0.036 0.000 2.021 524 L HA -0.243 4.083 4.340 -0.024 0.000 0.215 524 L C 2.342 179.320 176.870 0.180 0.000 1.074 524 L CA 2.372 57.228 54.840 0.025 0.000 0.760 524 L CB -0.815 41.141 42.059 -0.172 0.000 0.889 524 L HN 0.254 nan 8.230 nan 0.000 0.433 525 A N -2.020 120.920 122.820 0.200 0.000 2.238 525 A HA -0.020 4.285 4.320 -0.024 0.000 0.208 525 A C 2.087 179.815 177.584 0.239 0.000 1.177 525 A CA 0.789 53.027 52.037 0.334 0.000 0.804 525 A CB -0.424 18.770 19.000 0.323 0.000 0.823 525 A HN 0.616 nan 8.150 nan 0.000 0.482 526 E N -0.241 120.058 120.200 0.166 0.000 2.075 526 E HA -0.060 4.276 4.350 -0.024 0.000 0.190 526 E C 2.160 178.825 176.600 0.109 0.000 0.969 526 E CA 0.281 56.748 56.400 0.112 0.000 0.815 526 E CB -0.024 29.716 29.700 0.066 0.000 0.776 526 E HN 0.541 nan 8.360 nan 0.000 0.457 527 R N 1.277 121.848 120.500 0.118 0.000 2.097 527 R HA -0.089 4.237 4.340 -0.024 0.000 0.236 527 R C 1.386 177.760 176.300 0.123 0.000 1.135 527 R CA 1.039 57.205 56.100 0.109 0.000 0.934 527 R CB -0.252 30.116 30.300 0.113 0.000 0.846 527 R HN -0.121 nan 8.270 nan 0.000 0.431 528 K N 1.143 121.657 120.400 0.189 0.000 2.312 528 K HA 0.088 4.394 4.320 -0.024 0.000 0.287 528 K C -0.240 176.433 176.600 0.121 0.000 1.062 528 K CA -0.131 56.242 56.287 0.142 0.000 0.934 528 K CB 1.321 33.923 32.500 0.170 0.000 1.027 528 K HN 0.213 nan 8.250 nan 0.000 0.478 529 G N 3.182 112.018 108.800 0.060 0.000 2.764 529 G HA2 0.297 4.242 3.960 -0.024 0.000 0.278 529 G HA3 0.297 4.242 3.960 -0.024 0.000 0.278 529 G C -0.417 174.511 174.900 0.047 0.000 0.686 529 G CA -0.137 44.996 45.100 0.055 0.000 2.105 529 G HN 0.631 nan 8.290 nan 0.000 0.562 530 A N 2.259 125.136 122.820 0.095 0.000 2.401 530 A HA 0.790 5.096 4.320 -0.024 0.000 0.310 530 A C 0.152 177.819 177.584 0.138 0.000 1.075 530 A CA -0.895 51.196 52.037 0.090 0.000 0.746 530 A CB 1.821 20.866 19.000 0.075 0.000 1.277 530 A HN 0.467 nan 8.150 nan 0.000 0.425 531 K N 0.227 120.688 120.400 0.102 0.000 2.109 531 K HA 0.693 4.998 4.320 -0.024 0.000 0.243 531 K C -0.808 175.855 176.600 0.106 0.000 1.006 531 K CA -0.631 55.718 56.287 0.103 0.000 0.917 531 K CB 1.472 34.011 32.500 0.065 0.000 1.081 531 K HN 0.392 nan 8.250 nan 0.000 0.468 532 V N 1.583 121.549 119.914 0.085 0.000 2.864 532 V HA 0.365 4.470 4.120 -0.024 0.000 0.314 532 V C -0.594 175.482 176.094 -0.030 0.000 1.073 532 V CA -0.988 61.319 62.300 0.012 0.000 0.956 532 V CB 1.771 33.554 31.823 -0.067 0.000 1.023 532 V HN 0.532 nan 8.190 nan 0.000 0.435 533 L N 3.226 124.404 121.223 -0.075 0.000 2.324 533 L HA 0.628 4.953 4.340 -0.024 0.000 0.274 533 L C 0.319 177.120 176.870 -0.115 0.000 1.012 533 L CA -0.524 54.273 54.840 -0.071 0.000 0.859 533 L CB 1.455 43.479 42.059 -0.058 0.000 1.224 533 L HN 0.791 nan 8.230 nan 0.000 0.429 534 A N 5.164 127.917 122.820 -0.112 0.000 2.415 534 A HA 0.457 4.762 4.320 -0.024 0.000 0.309 534 A C 0.551 178.108 177.584 -0.045 0.000 1.356 534 A CA -0.392 51.572 52.037 -0.121 0.000 0.998 534 A CB -0.073 18.873 19.000 -0.090 0.000 1.145 534 A HN 0.800 nan 8.150 nan 0.000 0.545 535 M N 3.695 123.269 119.600 -0.043 0.000 3.709 535 M HA 0.045 4.510 4.480 -0.024 0.000 0.197 535 M C 0.858 177.156 176.300 -0.003 0.000 1.511 535 M CA -0.002 55.289 55.300 -0.016 0.000 1.688 535 M CB -1.115 31.477 32.600 -0.012 0.000 1.109 535 M HN 0.756 nan 8.290 nan 0.000 0.561 536 T N -1.046 113.515 114.554 0.012 0.000 2.933 536 T HA 0.062 4.398 4.350 -0.024 0.000 0.306 536 T C -1.417 173.288 174.700 0.010 0.000 1.045 536 T CA -1.188 60.931 62.100 0.033 0.000 1.143 536 T CB 0.215 69.123 68.868 0.067 0.000 1.003 536 T HN 0.353 nan 8.240 nan 0.000 0.540 537 P HA 0.128 nan 4.420 nan 0.000 0.230 537 P C 0.257 177.508 177.300 -0.082 0.000 1.158 537 P CA 0.318 63.376 63.100 -0.069 0.000 0.769 537 P CB -0.026 31.616 31.700 -0.095 0.000 0.807 538 A N -0.211 122.615 122.820 0.010 0.000 2.276 538 A HA 0.608 4.913 4.320 -0.024 0.000 0.316 538 A C 1.533 179.172 177.584 0.092 0.000 1.229 538 A CA -0.035 52.058 52.037 0.093 0.000 0.851 538 A CB 0.928 20.072 19.000 0.239 0.000 1.165 538 A HN 0.085 nan 8.150 nan 0.000 0.513 539 A N 2.598 125.510 122.820 0.154 0.000 1.841 539 A HA -0.164 4.141 4.320 -0.024 0.000 0.216 539 A C 1.653 179.181 177.584 -0.094 0.000 1.199 539 A CA 2.059 54.085 52.037 -0.019 0.000 0.621 539 A CB -0.530 18.369 19.000 -0.168 0.000 0.835 539 A HN 0.784 nan 8.150 nan 0.000 0.445 540 N N 0.149 118.750 118.700 -0.166 0.000 2.413 540 N HA 0.256 4.982 4.740 -0.024 0.000 0.207 540 N C 1.191 176.574 175.510 -0.212 0.000 1.206 540 N CA 0.774 53.718 53.050 -0.177 0.000 0.832 540 N CB -0.364 37.998 38.487 -0.209 0.000 1.037 540 N HN 0.386 nan 8.380 nan 0.000 0.467 541 A N 0.875 123.615 122.820 -0.133 0.000 1.859 541 A HA -0.240 4.065 4.320 -0.024 0.000 0.218 541 A C 2.197 179.746 177.584 -0.058 0.000 1.209 541 A CA 1.776 53.764 52.037 -0.083 0.000 0.639 541 A CB -0.612 18.454 19.000 0.109 0.000 0.835 541 A HN 0.406 nan 8.150 nan 0.000 0.450 542 R N -0.194 120.315 120.500 0.014 0.000 2.193 542 R HA -0.046 4.280 4.340 -0.024 0.000 0.229 542 R C 1.902 178.228 176.300 0.043 0.000 1.110 542 R CA 1.743 57.891 56.100 0.079 0.000 0.988 542 R CB -0.788 29.566 30.300 0.089 0.000 0.871 542 R HN 0.479 nan 8.270 nan 0.000 0.458 543 G N -0.625 108.139 108.800 -0.061 0.000 2.490 543 G HA2 -0.037 3.909 3.960 -0.024 0.000 0.211 543 G HA3 -0.037 3.909 3.960 -0.024 0.000 0.211 543 G C 1.329 176.126 174.900 -0.172 0.000 1.159 543 G CA 0.101 45.139 45.100 -0.102 0.000 0.819 543 G HN 0.236 nan 8.290 nan 0.000 0.539 544 L N 0.516 121.567 121.223 -0.286 0.000 2.012 544 L HA -0.112 4.214 4.340 -0.024 0.000 0.210 544 L C 2.864 179.612 176.870 -0.204 0.000 1.073 544 L CA 1.450 56.068 54.840 -0.370 0.000 0.748 544 L CB -0.477 41.075 42.059 -0.844 0.000 0.891 544 L HN 0.301 nan 8.230 nan 0.000 0.431 545 E N 0.065 120.200 120.200 -0.108 0.000 2.160 545 E HA -0.239 4.097 4.350 -0.024 0.000 0.195 545 E C 2.136 178.813 176.600 0.129 0.000 0.991 545 E CA 1.174 57.679 56.400 0.175 0.000 0.810 545 E CB -0.178 29.711 29.700 0.315 0.000 0.742 545 E HN 0.521 nan 8.360 nan 0.000 0.466 546 A N 0.439 123.185 122.820 -0.123 0.000 2.168 546 A HA -0.072 4.233 4.320 -0.024 0.000 0.215 546 A C 1.860 179.130 177.584 -0.523 0.000 1.152 546 A CA 0.824 52.408 52.037 -0.755 0.000 0.716 546 A CB 0.017 18.678 19.000 -0.564 0.000 0.794 546 A HN 0.104 nan 8.150 nan 0.000 0.465 547 M N -1.774 117.689 119.600 -0.229 0.000 2.382 547 M HA 0.192 4.658 4.480 -0.024 0.000 0.247 547 M C 1.293 177.564 176.300 -0.047 0.000 1.104 547 M CA 0.835 56.052 55.300 -0.139 0.000 1.030 547 M CB -0.465 32.066 32.600 -0.114 0.000 1.424 547 M HN 0.740 nan 8.290 nan 0.000 0.486 548 G N 1.029 109.836 108.800 0.011 0.000 2.149 548 G HA2 -0.165 3.780 3.960 -0.024 0.000 0.235 548 G HA3 -0.165 3.780 3.960 -0.024 0.000 0.235 548 G C 0.174 175.153 174.900 0.132 0.000 1.018 548 G CA 0.098 45.256 45.100 0.097 0.000 0.728 548 G HN 0.325 nan 8.290 nan 0.000 0.508 549 V N 0.594 120.601 119.914 0.154 0.000 3.067 549 V HA 0.432 4.537 4.120 -0.024 0.000 0.388 549 V C 0.309 176.636 176.094 0.388 0.000 1.330 549 V CA 0.038 62.482 62.300 0.240 0.000 1.501 549 V CB -0.320 31.627 31.823 0.207 0.000 1.382 549 V HN 0.310 nan 8.190 nan 0.000 0.532 550 L N 2.828 124.228 121.223 0.295 0.000 2.346 550 L HA 0.632 4.957 4.340 -0.024 0.000 0.276 550 L C -2.061 174.939 176.870 0.216 0.000 1.006 550 L CA -2.304 52.701 54.840 0.276 0.000 0.817 550 L CB 1.231 43.436 42.059 0.244 0.000 1.272 550 L HN 0.031 nan 8.230 nan 0.000 0.421 551 P HA 0.127 nan 4.420 nan 0.000 0.269 551 P C -0.062 177.323 177.300 0.143 0.000 1.217 551 P CA -0.107 63.111 63.100 0.197 0.000 0.783 551 P CB 0.727 32.547 31.700 0.201 0.000 0.898 552 G N -0.140 108.730 108.800 0.116 0.000 2.606 552 G HA2 0.398 4.344 3.960 -0.024 0.000 0.262 552 G HA3 0.398 4.344 3.960 -0.024 0.000 0.262 552 G C 1.176 176.117 174.900 0.068 0.000 1.394 552 G CA 0.024 45.170 45.100 0.077 0.000 1.044 552 G HN 0.452 nan 8.290 nan 0.000 0.553 553 A N -0.409 122.439 122.820 0.047 0.000 1.903 553 A HA -0.145 4.160 4.320 -0.024 0.000 0.219 553 A C 2.298 179.912 177.584 0.050 0.000 1.191 553 A CA 2.701 54.763 52.037 0.042 0.000 0.638 553 A CB -0.726 18.292 19.000 0.030 0.000 0.823 553 A HN 0.568 nan 8.150 nan 0.000 0.451 554 K N -1.736 118.691 120.400 0.044 0.000 2.013 554 K HA -0.142 4.164 4.320 -0.024 0.000 0.225 554 K C 1.459 178.122 176.600 0.104 0.000 1.056 554 K CA 2.830 59.159 56.287 0.070 0.000 0.971 554 K CB -0.628 31.908 32.500 0.059 0.000 0.731 554 K HN 0.996 nan 8.250 nan 0.000 0.450 555 G N -2.945 105.938 108.800 0.138 0.000 3.006 555 G HA2 -0.084 3.862 3.960 -0.024 0.000 0.195 555 G HA3 -0.084 3.862 3.960 -0.024 0.000 0.195 555 G C -0.038 174.942 174.900 0.133 0.000 1.034 555 G CA 0.122 45.291 45.100 0.115 0.000 0.807 555 G HN 0.650 nan 8.290 nan 0.000 0.469 556 A N 1.492 124.437 122.820 0.208 0.000 2.532 556 A HA 0.506 4.811 4.320 -0.024 0.000 0.269 556 A C 1.062 178.748 177.584 0.170 0.000 1.079 556 A CA 1.554 53.682 52.037 0.151 0.000 0.800 556 A CB -0.511 18.535 19.000 0.077 0.000 1.000 556 A HN 1.982 nan 8.150 nan 0.000 0.522 557 S N 3.388 119.096 115.700 0.013 0.000 2.745 557 S HA 0.511 4.966 4.470 -0.024 0.000 0.292 557 S C 1.109 175.578 174.600 -0.218 0.000 1.133 557 S CA -0.189 57.991 58.200 -0.034 0.000 0.998 557 S CB 0.533 63.660 63.200 -0.121 0.000 1.087 557 S HN 1.197 nan 8.310 nan 0.000 0.551 558 W N 1.409 122.584 121.300 -0.209 0.000 2.480 558 W HA -0.058 4.587 4.660 -0.024 0.000 0.257 558 W C 0.140 176.601 176.519 -0.097 0.000 1.235 558 W CA 1.501 58.708 57.345 -0.229 0.000 1.218 558 W CB -0.906 28.532 29.460 -0.036 0.000 1.131 558 W HN 0.858 nan 8.180 nan 0.000 0.606 559 D N -0.242 119.748 120.400 -0.683 0.000 2.479 559 D HA 0.018 4.643 4.640 -0.024 0.000 0.221 559 D C -0.250 175.802 176.300 -0.413 0.000 1.104 559 D CA -0.096 53.528 54.000 -0.625 0.000 0.849 559 D CB -0.686 39.517 40.800 -0.995 0.000 1.072 559 D HN 0.150 nan 8.370 nan 0.000 0.502 560 E N 3.078 123.078 120.200 -0.334 0.000 2.052 560 E HA 0.199 4.534 4.350 -0.024 0.000 0.283 560 E C -2.228 174.285 176.600 -0.144 0.000 1.071 560 E CA -2.034 54.240 56.400 -0.211 0.000 0.851 560 E CB 1.260 30.868 29.700 -0.153 0.000 1.066 560 E HN 0.123 nan 8.360 nan 0.000 0.396 561 P HA -0.053 nan 4.420 nan 0.000 0.257 561 P C -0.005 177.261 177.300 -0.056 0.000 1.227 561 P CA 0.349 63.408 63.100 -0.069 0.000 0.981 561 P CB 1.013 32.667 31.700 -0.077 0.000 1.044 562 G N 2.847 111.612 108.800 -0.058 0.000 2.535 562 G HA2 0.363 4.308 3.960 -0.024 0.000 0.200 562 G HA3 0.363 4.308 3.960 -0.024 0.000 0.200 562 G C 0.499 175.285 174.900 -0.190 0.000 1.388 562 G CA 0.481 45.519 45.100 -0.103 0.000 0.720 562 G HN 0.618 nan 8.290 nan 0.000 0.598 563 A N -0.400 122.166 122.820 -0.424 0.000 2.339 563 A HA 0.488 4.793 4.320 -0.024 0.000 0.272 563 A C 1.072 178.585 177.584 -0.120 0.000 1.182 563 A CA 0.661 52.465 52.037 -0.388 0.000 0.819 563 A CB 0.129 18.869 19.000 -0.434 0.000 1.115 563 A HN 0.576 nan 8.150 nan 0.000 0.512 564 L N -3.285 117.882 121.223 -0.094 0.000 2.730 564 L HA 0.356 4.682 4.340 -0.024 0.000 0.236 564 L C -0.807 175.832 176.870 -0.384 0.000 1.061 564 L CA 0.726 55.413 54.840 -0.255 0.000 0.898 564 L CB 0.140 41.978 42.059 -0.368 0.000 1.270 564 L HN 0.610 nan 8.230 nan 0.000 0.500 565 Y N -0.126 120.257 120.300 0.139 0.000 2.331 565 Y HA 0.747 5.283 4.550 -0.024 0.000 0.334 565 Y C 0.002 175.971 175.900 0.115 0.000 0.960 565 Y CA -0.785 57.432 58.100 0.194 0.000 1.130 565 Y CB 1.403 39.993 38.460 0.217 0.000 1.164 565 Y HN -0.018 nan 8.280 nan 0.000 0.458 566 A N 2.356 125.305 122.820 0.215 0.000 2.572 566 A HA 0.648 4.954 4.320 -0.024 0.000 0.295 566 A C -2.376 175.196 177.584 -0.021 0.000 1.072 566 A CA -0.835 51.195 52.037 -0.012 0.000 0.691 566 A CB 1.206 20.076 19.000 -0.216 0.000 1.291 566 A HN 0.662 nan 8.150 nan 0.000 0.404 567 Y N 0.927 121.081 120.300 -0.244 0.000 2.320 567 Y HA 0.689 5.224 4.550 -0.024 0.000 0.334 567 Y C -1.673 174.061 175.900 -0.277 0.000 1.055 567 Y CA -0.628 57.386 58.100 -0.143 0.000 1.143 567 Y CB 0.842 39.269 38.460 -0.056 0.000 1.193 567 Y HN 0.546 nan 8.280 nan 0.000 0.477 568 Y N 3.397 123.256 120.300 -0.736 0.000 2.376 568 Y HA 0.440 4.975 4.550 -0.024 0.000 0.340 568 Y C 0.783 176.193 175.900 -0.816 0.000 0.965 568 Y CA -0.756 56.915 58.100 -0.715 0.000 1.078 568 Y CB 2.539 40.665 38.460 -0.556 0.000 1.193 568 Y HN 0.851 nan 8.280 nan 0.000 0.452 569 G N 2.898 111.560 108.800 -0.230 0.000 3.371 569 G HA2 0.354 4.299 3.960 -0.024 0.000 0.248 569 G HA3 0.354 4.299 3.960 -0.024 0.000 0.248 569 G C -0.434 174.706 174.900 0.401 0.000 1.161 569 G CA 0.158 45.353 45.100 0.158 0.000 0.796 569 G HN 0.492 nan 8.290 nan 0.000 0.539 570 F N -3.021 116.977 119.950 0.079 0.000 3.559 570 F HA 0.644 5.156 4.527 -0.024 0.000 0.329 570 F C -1.432 174.366 175.800 -0.004 0.000 1.128 570 F CA -1.778 56.253 58.000 0.053 0.000 0.859 570 F CB 0.978 40.017 39.000 0.064 0.000 1.590 570 F HN -0.222 nan 8.300 nan 0.000 0.504 571 V N 2.687 122.687 119.914 0.143 0.000 2.313 571 V HA 0.503 4.609 4.120 -0.024 0.000 0.278 571 V C -2.237 173.860 176.094 0.004 0.000 1.017 571 V CA -1.423 60.812 62.300 -0.108 0.000 0.823 571 V CB 0.756 32.527 31.823 -0.087 0.000 1.010 571 V HN 0.578 nan 8.190 nan 0.000 0.443 572 P HA 0.383 nan 4.420 nan 0.000 0.293 572 P C -2.715 174.514 177.300 -0.119 0.000 1.304 572 P CA -1.811 61.247 63.100 -0.071 0.000 0.767 572 P CB -0.206 31.194 31.700 -0.501 0.000 1.247 573 P HA -0.008 nan 4.420 nan 0.000 0.265 573 P C 0.656 177.752 177.300 -0.341 0.000 1.193 573 P CA 0.337 63.252 63.100 -0.308 0.000 0.765 573 P CB 0.536 31.912 31.700 -0.539 0.000 0.823 574 E N 1.850 121.839 120.200 -0.352 0.000 2.273 574 E HA -0.273 4.062 4.350 -0.024 0.000 0.198 574 E C 1.371 177.786 176.600 -0.307 0.000 1.002 574 E CA 1.173 57.332 56.400 -0.402 0.000 0.828 574 E CB 0.070 29.536 29.700 -0.390 0.000 0.747 574 E HN 0.363 nan 8.360 nan 0.000 0.491 575 E N -0.403 119.632 120.200 -0.275 0.000 2.274 575 E HA -0.034 4.302 4.350 -0.024 0.000 0.194 575 E C 1.392 177.888 176.600 -0.174 0.000 0.996 575 E CA 1.037 57.311 56.400 -0.209 0.000 0.840 575 E CB 0.008 29.565 29.700 -0.238 0.000 0.772 575 E HN 0.356 nan 8.360 nan 0.000 0.491 576 A N -0.245 122.453 122.820 -0.204 0.000 2.095 576 A HA 0.089 4.394 4.320 -0.024 0.000 0.212 576 A C 1.668 179.198 177.584 -0.090 0.000 1.162 576 A CA 0.165 52.119 52.037 -0.140 0.000 0.753 576 A CB -0.044 18.868 19.000 -0.147 0.000 0.840 576 A HN 0.204 nan 8.150 nan 0.000 0.468 577 L N 0.046 121.173 121.223 -0.159 0.000 2.022 577 L HA 0.047 4.372 4.340 -0.024 0.000 0.204 577 L C 1.292 178.204 176.870 0.069 0.000 1.076 577 L CA 1.171 55.960 54.840 -0.085 0.000 0.749 577 L CB -1.407 40.540 42.059 -0.186 0.000 0.903 577 L HN 0.380 nan 8.230 nan 0.000 0.439 578 K N 0.310 120.803 120.400 0.156 0.000 2.404 578 K HA 0.043 4.349 4.320 -0.024 0.000 0.271 578 K C 0.903 177.540 176.600 0.061 0.000 1.130 578 K CA 0.898 57.314 56.287 0.215 0.000 1.181 578 K CB -0.050 32.587 32.500 0.228 0.000 0.840 578 K HN 0.516 nan 8.250 nan 0.000 0.483 579 G N 3.963 112.779 108.800 0.028 0.000 3.102 579 G HA2 -0.243 3.702 3.960 -0.024 0.000 0.200 579 G HA3 -0.243 3.702 3.960 -0.024 0.000 0.200 579 G C -0.546 174.359 174.900 0.009 0.000 1.685 579 G CA -0.215 44.888 45.100 0.005 0.000 1.299 579 G HN 0.610 nan 8.290 nan 0.000 0.576 580 K N 1.069 121.479 120.400 0.016 0.000 2.616 580 K HA -0.009 4.297 4.320 -0.024 0.000 0.276 580 K C 1.534 178.168 176.600 0.056 0.000 0.979 580 K CA 0.846 57.141 56.287 0.014 0.000 1.055 580 K CB 0.430 32.967 32.500 0.061 0.000 0.826 580 K HN 0.459 nan 8.250 nan 0.000 0.490 581 R N 0.792 121.283 120.500 -0.016 0.000 2.080 581 R HA 0.036 4.361 4.340 -0.024 0.000 0.222 581 R C 0.238 176.786 176.300 0.412 0.000 1.107 581 R CA 0.761 56.910 56.100 0.081 0.000 0.980 581 R CB 0.129 30.336 30.300 -0.156 0.000 0.879 581 R HN 0.411 nan 8.270 nan 0.000 0.439 582 F N 0.933 121.052 119.950 0.282 0.000 2.547 582 F HA 0.339 4.852 4.527 -0.024 0.000 0.316 582 F C -0.817 175.227 175.800 0.407 0.000 1.121 582 F CA -1.618 56.679 58.000 0.495 0.000 0.911 582 F CB 1.683 41.018 39.000 0.557 0.000 1.179 582 F HN -0.285 nan 8.300 nan 0.000 0.443 583 V N 4.377 124.219 119.914 -0.120 0.000 2.588 583 V HA 0.855 4.960 4.120 -0.024 0.000 0.304 583 V C -1.270 174.586 176.094 -0.396 0.000 1.042 583 V CA -0.947 61.243 62.300 -0.183 0.000 0.877 583 V CB 1.190 32.924 31.823 -0.149 0.000 0.996 583 V HN 0.793 nan 8.190 nan 0.000 0.425 584 V N 2.866 122.687 119.914 -0.156 0.000 2.380 584 V HA 0.628 4.734 4.120 -0.024 0.000 0.286 584 V C -0.244 175.876 176.094 0.043 0.000 1.015 584 V CA -0.646 61.613 62.300 -0.068 0.000 0.834 584 V CB 1.238 33.091 31.823 0.051 0.000 1.009 584 V HN 0.924 nan 8.190 nan 0.000 0.428 585 M N 4.450 124.060 119.600 0.017 0.000 2.113 585 M HA 0.430 4.895 4.480 -0.024 0.000 0.352 585 M C -0.043 176.341 176.300 0.140 0.000 1.170 585 M CA -0.174 55.140 55.300 0.022 0.000 1.053 585 M CB 0.991 33.568 32.600 -0.039 0.000 1.601 585 M HN 0.840 nan 8.290 nan 0.000 0.459 586 H N 4.606 123.694 119.070 0.029 0.000 2.508 586 H HA 0.428 4.970 4.556 -0.024 0.000 0.224 586 H C -0.848 174.574 175.328 0.158 0.000 1.723 586 H CA -0.406 55.744 56.048 0.170 0.000 1.251 586 H CB 0.428 30.423 29.762 0.389 0.000 1.627 586 H HN 0.674 nan 8.280 nan 0.000 0.543 587 L N 0.633 121.918 121.223 0.103 0.000 2.543 587 L HA 0.074 4.400 4.340 -0.024 0.000 0.231 587 L C 1.515 178.424 176.870 0.065 0.000 1.194 587 L CA 0.266 55.157 54.840 0.085 0.000 0.823 587 L CB 1.159 43.289 42.059 0.118 0.000 1.374 587 L HN 0.471 nan 8.230 nan 0.000 0.507 588 S N -2.961 112.840 115.700 0.168 0.000 2.613 588 S HA 0.196 4.652 4.470 -0.024 0.000 0.235 588 S C 0.284 174.966 174.600 0.136 0.000 1.073 588 S CA -0.383 57.920 58.200 0.173 0.000 0.899 588 S CB 0.116 63.492 63.200 0.293 0.000 0.818 588 S HN 0.605 nan 8.310 nan 0.000 0.484 589 H N 0.205 119.355 119.070 0.133 0.000 2.676 589 H HA 0.719 5.261 4.556 -0.024 0.000 0.352 589 H C -1.238 174.147 175.328 0.096 0.000 1.193 589 H CA -0.937 55.187 56.048 0.126 0.000 1.243 589 H CB 1.001 30.857 29.762 0.156 0.000 1.751 589 H HN 0.164 nan 8.280 nan 0.000 0.567 590 L N 2.403 123.748 121.223 0.204 0.000 2.264 590 L HA 0.191 4.516 4.340 -0.024 0.000 0.287 590 L C -0.397 176.552 176.870 0.131 0.000 1.039 590 L CA -0.245 54.679 54.840 0.140 0.000 0.829 590 L CB -0.383 41.732 42.059 0.094 0.000 1.211 590 L HN 0.606 nan 8.230 nan 0.000 0.427 591 H N 6.183 125.281 119.070 0.047 0.000 2.615 591 H HA 0.253 4.794 4.556 -0.024 0.000 0.363 591 H C -1.935 173.392 175.328 -0.003 0.000 1.148 591 H CA -1.788 54.267 56.048 0.012 0.000 1.401 591 H CB 1.645 31.394 29.762 -0.021 0.000 1.461 591 H HN 0.436 nan 8.280 nan 0.000 0.588 592 P HA -0.113 nan 4.420 nan 0.000 0.218 592 P C 1.693 179.093 177.300 0.167 0.000 1.149 592 P CA 0.545 63.785 63.100 0.234 0.000 0.817 592 P CB 0.417 32.212 31.700 0.158 0.000 0.785 593 L N -1.551 119.731 121.223 0.099 0.000 2.622 593 L HA 0.007 4.332 4.340 -0.024 0.000 0.233 593 L C 1.725 178.470 176.870 -0.208 0.000 1.156 593 L CA 1.254 55.932 54.840 -0.269 0.000 0.866 593 L CB -1.159 40.510 42.059 -0.650 0.000 0.980 593 L HN -0.003 nan 8.230 nan 0.000 0.448 594 A N 0.086 122.865 122.820 -0.067 0.000 1.984 594 A HA -0.033 4.272 4.320 -0.024 0.000 0.203 594 A C 1.773 179.361 177.584 0.007 0.000 1.292 594 A CA 0.182 52.190 52.037 -0.050 0.000 0.782 594 A CB -0.055 18.933 19.000 -0.019 0.000 0.924 594 A HN 0.486 nan 8.150 nan 0.000 0.475 595 E N -0.086 120.140 120.200 0.043 0.000 2.533 595 E HA -0.055 4.280 4.350 -0.024 0.000 0.201 595 E C 1.091 177.725 176.600 0.058 0.000 1.097 595 E CA 0.607 57.035 56.400 0.047 0.000 0.887 595 E CB -0.131 29.602 29.700 0.055 0.000 0.855 595 E HN 0.599 nan 8.360 nan 0.000 0.540 596 R N -1.419 119.136 120.500 0.092 0.000 2.635 596 R HA 0.155 4.480 4.340 -0.024 0.000 0.241 596 R C 0.196 176.599 176.300 0.172 0.000 0.941 596 R CA 0.047 56.234 56.100 0.144 0.000 1.014 596 R CB 0.506 30.937 30.300 0.218 0.000 1.517 596 R HN 0.096 nan 8.270 nan 0.000 0.594 597 Y N -0.035 120.181 120.300 -0.140 0.000 2.626 597 Y HA 0.512 5.047 4.550 -0.024 0.000 0.248 597 Y C 0.231 175.928 175.900 -0.338 0.000 1.147 597 Y CA -1.034 56.942 58.100 -0.207 0.000 1.219 597 Y CB 1.155 39.494 38.460 -0.203 0.000 1.279 597 Y HN -0.031 nan 8.280 nan 0.000 0.541 598 A N -1.018 121.711 122.820 -0.152 0.000 2.325 598 A HA 0.557 4.862 4.320 -0.024 0.000 0.333 598 A C -0.154 177.279 177.584 -0.252 0.000 1.155 598 A CA -0.277 51.611 52.037 -0.249 0.000 0.814 598 A CB 0.620 19.547 19.000 -0.122 0.000 1.206 598 A HN 0.535 nan 8.150 nan 0.000 0.482 599 H N 0.323 119.327 119.070 -0.109 0.000 2.460 599 H HA 0.305 4.847 4.556 -0.024 0.000 0.297 599 H C -0.516 174.782 175.328 -0.051 0.000 1.023 599 H CA 0.487 56.492 56.048 -0.072 0.000 1.321 599 H CB 0.872 30.574 29.762 -0.101 0.000 1.455 599 H HN 0.304 nan 8.280 nan 0.000 0.539 600 V N 2.556 122.451 119.914 -0.032 0.000 2.445 600 V HA 0.191 4.297 4.120 -0.024 0.000 0.283 600 V C -0.768 175.319 176.094 -0.013 0.000 1.014 600 V CA -0.719 61.585 62.300 0.008 0.000 0.852 600 V CB 1.795 33.663 31.823 0.076 0.000 1.021 600 V HN 0.006 nan 8.190 nan 0.000 0.435 601 V N 6.240 126.152 119.914 -0.005 0.000 2.465 601 V HA 0.545 4.651 4.120 -0.024 0.000 0.279 601 V C -0.327 175.774 176.094 0.011 0.000 1.045 601 V CA -0.481 61.830 62.300 0.019 0.000 0.938 601 V CB 1.459 33.294 31.823 0.020 0.000 0.986 601 V HN 0.595 nan 8.190 nan 0.000 0.467 602 L N 7.355 128.642 121.223 0.106 0.000 2.381 602 L HA 0.532 4.857 4.340 -0.024 0.000 0.274 602 L C -2.382 174.672 176.870 0.307 0.000 0.988 602 L CA -1.647 53.273 54.840 0.133 0.000 0.824 602 L CB 2.096 44.255 42.059 0.167 0.000 1.263 602 L HN 0.401 nan 8.230 nan 0.000 0.410 603 P HA 0.148 nan 4.420 nan 0.000 0.262 603 P C -0.945 176.521 177.300 0.277 0.000 1.182 603 P CA 0.084 63.316 63.100 0.220 0.000 0.761 603 P CB 0.921 32.756 31.700 0.224 0.000 0.795 604 A N 5.455 128.302 122.820 0.045 0.000 2.413 604 A HA 0.809 5.115 4.320 -0.024 0.000 0.307 604 A C -2.656 174.934 177.584 0.011 0.000 1.087 604 A CA -1.888 50.077 52.037 -0.120 0.000 0.750 604 A CB 1.432 20.027 19.000 -0.675 0.000 1.296 604 A HN 0.349 nan 8.150 nan 0.000 0.423 605 P HA 0.324 nan 4.420 nan 0.000 0.281 605 P C 0.138 177.479 177.300 0.069 0.000 1.249 605 P CA 0.045 63.174 63.100 0.049 0.000 0.810 605 P CB 1.071 32.798 31.700 0.044 0.000 1.008 606 T N -0.729 113.867 114.554 0.070 0.000 2.726 606 T HA 0.135 4.470 4.350 -0.024 0.000 0.294 606 T C 1.286 176.004 174.700 0.030 0.000 1.013 606 T CA -0.363 61.795 62.100 0.097 0.000 0.996 606 T CB -0.178 68.702 68.868 0.021 0.000 1.016 606 T HN 0.431 nan 8.240 nan 0.000 0.529 607 F N -1.106 118.822 119.950 -0.037 0.000 2.365 607 F HA 0.077 4.590 4.527 -0.024 0.000 0.300 607 F C 1.823 177.585 175.800 -0.064 0.000 1.090 607 F CA 0.151 58.093 58.000 -0.097 0.000 1.408 607 F CB -1.062 37.832 39.000 -0.176 0.000 1.060 607 F HN 0.430 nan 8.300 nan 0.000 0.534 608 Y N 2.056 121.874 120.300 -0.803 0.000 2.274 608 Y HA -0.107 4.428 4.550 -0.024 0.000 0.290 608 Y C 1.833 177.581 175.900 -0.253 0.000 1.145 608 Y CA 1.169 58.924 58.100 -0.575 0.000 1.203 608 Y CB -0.781 37.305 38.460 -0.624 0.000 0.984 608 Y HN 0.443 nan 8.280 nan 0.000 0.533 609 E N -0.767 119.408 120.200 -0.041 0.000 2.685 609 E HA 0.203 4.538 4.350 -0.024 0.000 0.208 609 E C 0.067 176.657 176.600 -0.017 0.000 0.996 609 E CA -0.197 56.186 56.400 -0.028 0.000 1.054 609 E CB 0.339 30.020 29.700 -0.032 0.000 1.075 609 E HN 0.168 nan 8.360 nan 0.000 0.460 610 K N 1.305 121.701 120.400 -0.007 0.000 2.502 610 K HA 0.500 4.806 4.320 -0.024 0.000 0.252 610 K C -0.212 176.361 176.600 -0.045 0.000 1.043 610 K CA -0.892 55.391 56.287 -0.007 0.000 0.999 610 K CB 1.422 33.940 32.500 0.030 0.000 1.343 610 K HN -0.008 nan 8.250 nan 0.000 0.513 611 R N -0.532 119.914 120.500 -0.090 0.000 2.563 611 R HA 0.409 4.735 4.340 -0.024 0.000 0.262 611 R C -0.974 175.159 176.300 -0.278 0.000 1.128 611 R CA -0.019 55.961 56.100 -0.199 0.000 0.969 611 R CB 1.408 31.529 30.300 -0.299 0.000 1.251 611 R HN 0.849 nan 8.270 nan 0.000 0.442 612 G N 2.457 111.080 108.800 -0.295 0.000 2.291 612 G HA2 0.095 4.041 3.960 -0.024 0.000 0.249 612 G HA3 0.095 4.041 3.960 -0.024 0.000 0.249 612 G C -1.846 172.906 174.900 -0.248 0.000 1.340 612 G CA -0.753 44.154 45.100 -0.321 0.000 1.017 612 G HN 0.628 nan 8.290 nan 0.000 0.470 613 H N -0.938 118.164 119.070 0.053 0.000 2.771 613 H HA 0.888 5.430 4.556 -0.024 0.000 0.367 613 H C -0.489 174.833 175.328 -0.011 0.000 1.172 613 H CA -0.424 55.639 56.048 0.024 0.000 1.186 613 H CB 1.578 31.358 29.762 0.031 0.000 1.790 613 H HN 0.483 nan 8.280 nan 0.000 0.556 614 L N 0.111 121.406 121.223 0.120 0.000 2.277 614 L HA 0.581 4.906 4.340 -0.024 0.000 0.254 614 L C -0.575 176.301 176.870 0.011 0.000 1.044 614 L CA -0.891 53.962 54.840 0.022 0.000 0.842 614 L CB 2.114 44.164 42.059 -0.014 0.000 1.422 614 L HN 0.327 nan 8.230 nan 0.000 0.422 615 V N 0.512 120.413 119.914 -0.021 0.000 2.638 615 V HA 0.469 4.574 4.120 -0.024 0.000 0.306 615 V C -0.395 175.692 176.094 -0.012 0.000 1.052 615 V CA -0.937 61.355 62.300 -0.012 0.000 0.885 615 V CB 1.701 33.517 31.823 -0.011 0.000 0.999 615 V HN 0.661 nan 8.190 nan 0.000 0.424 616 N N 2.031 120.731 118.700 0.000 0.000 2.424 616 N HA 0.218 4.943 4.740 -0.024 0.000 0.257 616 N C 1.170 176.688 175.510 0.013 0.000 1.250 616 N CA -0.299 52.752 53.050 0.002 0.000 0.946 616 N CB 1.553 40.043 38.487 0.006 0.000 1.175 616 N HN 0.865 nan 8.380 nan 0.000 0.477 617 L N 0.201 121.430 121.223 0.010 0.000 2.642 617 L HA -0.004 4.321 4.340 -0.024 0.000 0.236 617 L C 0.985 177.868 176.870 0.022 0.000 1.169 617 L CA 1.318 56.168 54.840 0.017 0.000 0.851 617 L CB -0.177 41.886 42.059 0.006 0.000 0.968 617 L HN 0.618 nan 8.230 nan 0.000 0.453 618 E N -0.835 119.378 120.200 0.021 0.000 2.526 618 E HA 0.309 4.644 4.350 -0.024 0.000 0.208 618 E C 1.211 177.832 176.600 0.035 0.000 0.997 618 E CA 0.247 56.661 56.400 0.025 0.000 0.961 618 E CB 0.595 30.304 29.700 0.015 0.000 1.030 618 E HN 0.313 nan 8.360 nan 0.000 0.483 619 G N 1.898 110.722 108.800 0.040 0.000 2.141 619 G HA2 -0.341 3.604 3.960 -0.024 0.000 0.242 619 G HA3 -0.341 3.604 3.960 -0.024 0.000 0.242 619 G C 0.110 175.029 174.900 0.031 0.000 0.982 619 G CA 0.165 45.295 45.100 0.049 0.000 0.662 619 G HN 0.301 nan 8.290 nan 0.000 0.527 620 R N 0.389 120.900 120.500 0.018 0.000 2.357 620 R HA 0.530 4.856 4.340 -0.024 0.000 0.296 620 R C 0.810 177.108 176.300 -0.004 0.000 1.052 620 R CA 0.009 56.112 56.100 0.006 0.000 0.988 620 R CB 0.998 31.301 30.300 0.005 0.000 1.025 620 R HN 0.599 nan 8.270 nan 0.000 0.469 621 V N 4.628 124.530 119.914 -0.020 0.000 2.368 621 V HA 0.378 4.484 4.120 -0.024 0.000 0.266 621 V C -0.217 175.847 176.094 -0.050 0.000 1.045 621 V CA -0.579 61.700 62.300 -0.036 0.000 0.899 621 V CB 0.547 32.330 31.823 -0.066 0.000 1.006 621 V HN 0.553 nan 8.190 nan 0.000 0.470 622 L N 7.206 128.423 121.223 -0.010 0.000 2.331 622 L HA 0.670 4.996 4.340 -0.024 0.000 0.275 622 L C -2.235 174.680 176.870 0.075 0.000 1.022 622 L CA -1.949 52.898 54.840 0.012 0.000 0.812 622 L CB 2.582 44.654 42.059 0.023 0.000 1.257 622 L HN 0.422 nan 8.230 nan 0.000 0.435 623 P HA 0.316 nan 4.420 nan 0.000 0.292 623 P C -1.224 176.159 177.300 0.138 0.000 1.283 623 P CA -0.476 62.751 63.100 0.213 0.000 0.835 623 P CB 1.931 33.733 31.700 0.170 0.000 1.017 624 L N 2.025 123.322 121.223 0.123 0.000 2.287 624 L HA 0.349 4.674 4.340 -0.024 0.000 0.287 624 L C 0.447 177.332 176.870 0.026 0.000 1.022 624 L CA -0.222 54.663 54.840 0.075 0.000 0.814 624 L CB 1.439 43.533 42.059 0.058 0.000 1.217 624 L HN 0.380 nan 8.230 nan 0.000 0.420 625 S N 4.442 120.161 115.700 0.032 0.000 2.578 625 S HA 0.573 5.028 4.470 -0.024 0.000 0.301 625 S C -2.532 172.066 174.600 -0.004 0.000 1.091 625 S CA -1.129 57.070 58.200 -0.003 0.000 1.032 625 S CB 2.013 65.217 63.200 0.006 0.000 1.064 625 S HN 0.379 nan 8.310 nan 0.000 0.508 626 P HA 0.332 nan 4.420 nan 0.000 0.291 626 P C -1.204 176.075 177.300 -0.035 0.000 1.340 626 P CA -0.296 62.784 63.100 -0.034 0.000 0.799 626 P CB 0.635 32.304 31.700 -0.050 0.000 0.917 627 A N 6.394 129.190 122.820 -0.039 0.000 2.388 627 A HA 0.426 4.732 4.320 -0.024 0.000 0.257 627 A C -1.816 175.731 177.584 -0.062 0.000 1.095 627 A CA -1.495 50.506 52.037 -0.061 0.000 0.791 627 A CB -0.686 18.256 19.000 -0.096 0.000 1.029 627 A HN 0.344 nan 8.150 nan 0.000 0.489 628 P HA 0.126 nan 4.420 nan 0.000 0.249 628 P C -0.491 176.771 177.300 -0.062 0.000 1.686 628 P CA 0.299 63.367 63.100 -0.054 0.000 0.873 628 P CB -0.621 31.050 31.700 -0.048 0.000 1.828 629 I N -0.791 119.736 120.570 -0.071 0.000 3.021 629 I HA 0.169 4.324 4.170 -0.024 0.000 0.303 629 I C 1.094 177.178 176.117 -0.056 0.000 1.044 629 I CA -0.957 60.295 61.300 -0.080 0.000 1.266 629 I CB 0.520 38.458 38.000 -0.103 0.000 1.447 629 I HN -0.139 nan 8.210 nan 0.000 0.593 630 E N 3.310 123.477 120.200 -0.054 0.000 1.985 630 E HA -0.025 4.311 4.350 -0.024 0.000 0.268 630 E C 0.702 177.285 176.600 -0.028 0.000 1.219 630 E CA -0.051 56.328 56.400 -0.036 0.000 0.942 630 E CB -0.063 29.617 29.700 -0.033 0.000 1.045 630 E HN 0.518 nan 8.360 nan 0.000 0.413 631 N N 3.993 122.685 118.700 -0.014 0.000 2.446 631 N HA -0.015 4.711 4.740 -0.024 0.000 0.179 631 N C 1.135 176.664 175.510 0.031 0.000 1.054 631 N CA 0.622 53.675 53.050 0.005 0.000 0.905 631 N CB -0.210 38.282 38.487 0.008 0.000 0.973 631 N HN 0.469 nan 8.380 nan 0.000 0.448 632 G N 1.754 110.571 108.800 0.028 0.000 2.566 632 G HA2 -0.343 3.602 3.960 -0.024 0.000 0.280 632 G HA3 -0.343 3.602 3.960 -0.024 0.000 0.280 632 G C -0.282 174.668 174.900 0.084 0.000 1.225 632 G CA 0.249 45.381 45.100 0.053 0.000 0.966 632 G HN 0.386 nan 8.290 nan 0.000 0.560 633 E N 1.694 121.980 120.200 0.144 0.000 2.422 633 E HA 0.453 4.789 4.350 -0.024 0.000 0.267 633 E C 0.843 177.639 176.600 0.326 0.000 1.466 633 E CA 0.261 56.795 56.400 0.224 0.000 1.767 633 E CB -0.233 29.669 29.700 0.337 0.000 1.471 633 E HN 0.764 nan 8.360 nan 0.000 0.446 634 A N 1.512 124.454 122.820 0.202 0.000 2.304 634 A HA 0.383 4.689 4.320 -0.024 0.000 0.301 634 A C 0.002 177.669 177.584 0.138 0.000 1.132 634 A CA -0.488 51.699 52.037 0.251 0.000 0.819 634 A CB 0.853 19.953 19.000 0.167 0.000 1.094 634 A HN 0.119 nan 8.150 nan 0.000 0.492 635 E N 0.800 121.130 120.200 0.217 0.000 2.272 635 E HA 0.445 4.780 4.350 -0.024 0.000 0.269 635 E C 0.113 176.850 176.600 0.229 0.000 0.877 635 E CA -0.465 55.963 56.400 0.046 0.000 0.755 635 E CB 1.918 31.431 29.700 -0.312 0.000 1.192 635 E HN 0.863 nan 8.360 nan 0.000 0.422 636 G N 0.789 109.670 108.800 0.135 0.000 2.554 636 G HA2 0.208 4.153 3.960 -0.024 0.000 0.238 636 G HA3 0.208 4.153 3.960 -0.024 0.000 0.238 636 G C 0.980 176.049 174.900 0.282 0.000 1.259 636 G CA 0.302 45.516 45.100 0.189 0.000 0.843 636 G HN 0.520 nan 8.290 nan 0.000 0.582 637 A N 1.536 124.584 122.820 0.380 0.000 2.131 637 A HA -0.084 4.221 4.320 -0.024 0.000 0.220 637 A C 2.252 179.880 177.584 0.073 0.000 1.158 637 A CA 1.566 53.799 52.037 0.327 0.000 0.665 637 A CB -0.296 18.949 19.000 0.408 0.000 0.795 637 A HN 0.731 nan 8.150 nan 0.000 0.460 638 L N -0.869 120.385 121.223 0.051 0.000 2.083 638 L HA -0.149 4.176 4.340 -0.024 0.000 0.209 638 L C 2.363 179.222 176.870 -0.019 0.000 1.083 638 L CA 2.569 57.402 54.840 -0.012 0.000 0.752 638 L CB -0.513 41.545 42.059 -0.001 0.000 0.899 638 L HN 0.489 nan 8.230 nan 0.000 0.433 639 Q N -1.224 118.566 119.800 -0.016 0.000 2.061 639 Q HA -0.073 4.252 4.340 -0.024 0.000 0.195 639 Q C 2.134 178.094 176.000 -0.067 0.000 0.967 639 Q CA 2.018 57.786 55.803 -0.058 0.000 0.829 639 Q CB -0.417 28.258 28.738 -0.105 0.000 0.900 639 Q HN 0.310 nan 8.270 nan 0.000 0.450 640 V N 0.916 120.794 119.914 -0.059 0.000 2.380 640 V HA -0.290 3.815 4.120 -0.024 0.000 0.251 640 V C 2.301 178.300 176.094 -0.158 0.000 1.063 640 V CA 1.740 63.983 62.300 -0.095 0.000 1.055 640 V CB -0.576 31.001 31.823 -0.411 0.000 0.657 640 V HN 0.406 nan 8.190 nan 0.000 0.455 641 L N -0.404 120.693 121.223 -0.209 0.000 2.056 641 L HA -0.138 4.187 4.340 -0.024 0.000 0.207 641 L C 2.669 179.478 176.870 -0.101 0.000 1.078 641 L CA 1.599 56.295 54.840 -0.239 0.000 0.749 641 L CB -0.681 41.241 42.059 -0.228 0.000 0.901 641 L HN 0.390 nan 8.230 nan 0.000 0.433 642 A N -0.512 122.274 122.820 -0.056 0.000 2.019 642 A HA -0.210 4.095 4.320 -0.024 0.000 0.219 642 A C 2.110 179.681 177.584 -0.022 0.000 1.164 642 A CA 1.328 53.355 52.037 -0.017 0.000 0.644 642 A CB -0.463 18.532 19.000 -0.009 0.000 0.805 642 A HN 0.343 nan 8.150 nan 0.000 0.449 643 L N -0.915 120.288 121.223 -0.033 0.000 2.240 643 L HA 0.133 4.458 4.340 -0.024 0.000 0.211 643 L C 1.922 178.883 176.870 0.152 0.000 1.106 643 L CA 1.348 56.175 54.840 -0.022 0.000 0.793 643 L CB -0.127 41.927 42.059 -0.007 0.000 0.927 643 L HN 0.507 nan 8.230 nan 0.000 0.446 644 L N -1.987 119.294 121.223 0.097 0.000 2.607 644 L HA 0.358 4.683 4.340 -0.024 0.000 0.228 644 L C 1.757 178.675 176.870 0.080 0.000 1.123 644 L CA 0.702 55.615 54.840 0.121 0.000 0.890 644 L CB -0.062 42.035 42.059 0.062 0.000 1.103 644 L HN 0.119 nan 8.230 nan 0.000 0.468 645 A N -0.481 122.376 122.820 0.061 0.000 2.044 645 A HA 0.025 4.331 4.320 -0.024 0.000 0.213 645 A C 2.034 179.661 177.584 0.072 0.000 1.169 645 A CA 0.498 52.565 52.037 0.049 0.000 0.724 645 A CB -0.107 18.913 19.000 0.033 0.000 0.840 645 A HN 0.496 nan 8.150 nan 0.000 0.463 646 E N 0.145 120.413 120.200 0.113 0.000 2.028 646 E HA -0.102 4.233 4.350 -0.024 0.000 0.191 646 E C 1.991 178.680 176.600 0.147 0.000 0.988 646 E CA 0.947 57.437 56.400 0.150 0.000 0.799 646 E CB -0.219 29.625 29.700 0.240 0.000 0.755 646 E HN 0.534 nan 8.360 nan 0.000 0.447 647 A N 0.537 123.471 122.820 0.190 0.000 2.277 647 A HA -0.066 4.239 4.320 -0.024 0.000 0.208 647 A C 1.569 179.153 177.584 0.001 0.000 1.202 647 A CA 0.750 52.817 52.037 0.051 0.000 0.762 647 A CB -0.207 18.811 19.000 0.030 0.000 0.770 647 A HN 0.179 nan 8.150 nan 0.000 0.487 648 L N -2.893 118.346 121.223 0.026 0.000 3.135 648 L HA 0.336 4.661 4.340 -0.024 0.000 0.279 648 L C 1.416 178.290 176.870 0.006 0.000 1.200 648 L CA 0.451 55.292 54.840 0.002 0.000 1.016 648 L CB 0.388 42.458 42.059 0.018 0.000 1.391 648 L HN 0.548 nan 8.230 nan 0.000 0.588 649 G N 0.277 109.087 108.800 0.016 0.000 2.992 649 G HA2 -0.245 3.701 3.960 -0.024 0.000 0.229 649 G HA3 -0.245 3.701 3.960 -0.024 0.000 0.229 649 G C 0.060 174.973 174.900 0.023 0.000 1.969 649 G CA -0.187 44.921 45.100 0.014 0.000 1.603 649 G HN -0.118 nan 8.290 nan 0.000 0.573 650 V N 3.688 123.615 119.914 0.021 0.000 2.673 650 V HA 0.428 4.533 4.120 -0.024 0.000 0.303 650 V C 1.170 177.280 176.094 0.026 0.000 1.046 650 V CA 0.855 63.168 62.300 0.021 0.000 1.126 650 V CB 0.902 32.737 31.823 0.020 0.000 0.934 650 V HN 0.989 nan 8.190 nan 0.000 0.487 651 R N 7.108 127.620 120.500 0.019 0.000 2.347 651 R HA 0.429 4.755 4.340 -0.024 0.000 0.304 651 R C -2.426 173.882 176.300 0.014 0.000 1.072 651 R CA -1.239 54.871 56.100 0.017 0.000 0.980 651 R CB -0.323 29.981 30.300 0.007 0.000 0.986 651 R HN 0.504 nan 8.270 nan 0.000 0.448 652 P HA 0.128 nan 4.420 nan 0.000 0.270 652 P C -2.157 175.148 177.300 0.008 0.000 1.223 652 P CA -1.450 61.679 63.100 0.048 0.000 0.785 652 P CB 0.574 32.318 31.700 0.073 0.000 0.923 653 P HA 0.212 nan 4.420 nan 0.000 0.251 653 P C -0.474 176.563 177.300 -0.438 0.000 1.223 653 P CA 0.614 63.569 63.100 -0.242 0.000 0.796 653 P CB 0.132 31.625 31.700 -0.345 0.000 1.068 654 F N -0.786 119.146 119.950 -0.029 0.000 2.493 654 F HA 0.466 4.978 4.527 -0.024 0.000 0.329 654 F C 1.508 177.285 175.800 -0.038 0.000 1.126 654 F CA -0.658 57.322 58.000 -0.033 0.000 0.937 654 F CB 2.062 41.044 39.000 -0.030 0.000 1.146 654 F HN -0.388 nan 8.300 nan 0.000 0.442 655 R N 1.764 122.332 120.500 0.113 0.000 2.055 655 R HA 0.461 4.786 4.340 -0.024 0.000 0.190 655 R C -0.301 176.031 176.300 0.053 0.000 1.443 655 R CA 0.015 56.144 56.100 0.048 0.000 1.188 655 R CB 0.201 30.501 30.300 0.000 0.000 1.068 655 R HN 0.602 nan 8.270 nan 0.000 0.475 656 L N -3.209 118.046 121.223 0.054 0.000 2.211 656 L HA 0.484 4.809 4.340 -0.024 0.000 0.259 656 L C 1.316 178.243 176.870 0.095 0.000 1.031 656 L CA -0.823 54.053 54.840 0.060 0.000 0.877 656 L CB 0.636 42.716 42.059 0.035 0.000 1.457 656 L HN 0.051 nan 8.230 nan 0.000 0.466 657 H N 0.033 119.106 119.070 0.004 0.000 2.357 657 H HA -0.073 4.468 4.556 -0.024 0.000 0.301 657 H C 1.878 177.211 175.328 0.007 0.000 1.082 657 H CA 2.383 58.428 56.048 -0.005 0.000 1.342 657 H CB 0.448 30.189 29.762 -0.034 0.000 1.389 657 H HN 0.685 nan 8.280 nan 0.000 0.511 658 L N 1.068 122.260 121.223 -0.050 0.000 1.990 658 L HA -0.205 4.121 4.340 -0.024 0.000 0.213 658 L C 2.512 179.314 176.870 -0.113 0.000 1.072 658 L CA 1.816 56.597 54.840 -0.099 0.000 0.755 658 L CB -0.161 41.892 42.059 -0.011 0.000 0.889 658 L HN 0.334 nan 8.230 nan 0.000 0.432 659 E N -0.192 119.973 120.200 -0.057 0.000 2.107 659 E HA -0.143 4.193 4.350 -0.024 0.000 0.191 659 E C 2.175 178.758 176.600 -0.027 0.000 0.982 659 E CA 1.095 57.466 56.400 -0.049 0.000 0.809 659 E CB -0.358 29.315 29.700 -0.045 0.000 0.756 659 E HN 0.602 nan 8.360 nan 0.000 0.459 660 A N 1.943 124.792 122.820 0.048 0.000 1.978 660 A HA -0.218 4.087 4.320 -0.024 0.000 0.220 660 A C 2.146 179.780 177.584 0.084 0.000 1.170 660 A CA 1.248 53.424 52.037 0.231 0.000 0.636 660 A CB -0.356 18.778 19.000 0.223 0.000 0.810 660 A HN 0.072 nan 8.150 nan 0.000 0.448 661 Q N -0.049 119.686 119.800 -0.108 0.000 2.181 661 Q HA -0.170 4.155 4.340 -0.024 0.000 0.205 661 Q C 1.902 177.890 176.000 -0.021 0.000 0.980 661 Q CA 1.599 57.331 55.803 -0.117 0.000 0.862 661 Q CB -0.319 28.286 28.738 -0.221 0.000 0.905 661 Q HN 0.712 nan 8.270 nan 0.000 0.429 662 K N -0.147 120.239 120.400 -0.023 0.000 2.097 662 K HA -0.028 4.277 4.320 -0.024 0.000 0.205 662 K C 1.997 178.600 176.600 0.004 0.000 1.050 662 K CA 0.920 57.197 56.287 -0.017 0.000 0.938 662 K CB 0.000 32.475 32.500 -0.043 0.000 0.718 662 K HN 0.123 nan 8.250 nan 0.000 0.442 663 A N 1.280 124.121 122.820 0.036 0.000 1.898 663 A HA -0.111 4.194 4.320 -0.024 0.000 0.216 663 A C 2.081 179.728 177.584 0.106 0.000 1.181 663 A CA 1.102 53.187 52.037 0.080 0.000 0.620 663 A CB -0.488 18.634 19.000 0.204 0.000 0.819 663 A HN 0.149 nan 8.150 nan 0.000 0.442 664 L N -0.717 120.571 121.223 0.109 0.000 2.027 664 L HA -0.153 4.173 4.340 -0.024 0.000 0.206 664 L C 2.594 179.490 176.870 0.043 0.000 1.074 664 L CA 1.798 56.679 54.840 0.069 0.000 0.745 664 L CB -0.339 41.764 42.059 0.073 0.000 0.898 664 L HN 0.408 nan 8.230 nan 0.000 0.433 665 K N 0.134 120.557 120.400 0.039 0.000 2.360 665 K HA -0.161 4.145 4.320 -0.024 0.000 0.201 665 K C 1.932 178.542 176.600 0.017 0.000 1.046 665 K CA 0.970 57.272 56.287 0.024 0.000 0.945 665 K CB 0.073 32.584 32.500 0.018 0.000 0.750 665 K HN 0.309 nan 8.250 nan 0.000 0.464 666 A N 1.189 124.020 122.820 0.018 0.000 1.854 666 A HA -0.061 4.244 4.320 -0.024 0.000 0.214 666 A C 1.924 179.517 177.584 0.015 0.000 1.192 666 A CA 0.846 52.891 52.037 0.012 0.000 0.611 666 A CB -0.336 18.669 19.000 0.009 0.000 0.832 666 A HN 0.234 nan 8.150 nan 0.000 0.442 667 R N -0.479 120.033 120.500 0.019 0.000 2.293 667 R HA -0.051 4.274 4.340 -0.024 0.000 0.219 667 R C -0.402 175.902 176.300 0.006 0.000 1.091 667 R CA 0.982 57.088 56.100 0.010 0.000 1.004 667 R CB -0.288 30.011 30.300 -0.002 0.000 0.865 667 R HN 0.539 nan 8.270 nan 0.000 0.469 668 K N -0.079 120.327 120.400 0.010 0.000 3.335 668 K HA -0.103 4.203 4.320 -0.024 0.000 0.271 668 K C -0.862 175.742 176.600 0.007 0.000 1.105 668 K CA 0.303 56.596 56.287 0.011 0.000 0.799 668 K CB -1.625 30.884 32.500 0.015 0.000 1.309 668 K HN 0.041 nan 8.250 nan 0.000 0.469 669 V N 1.931 121.847 119.914 0.003 0.000 2.407 669 V HA 0.388 4.493 4.120 -0.024 0.000 0.278 669 V C -1.587 174.505 176.094 -0.004 0.000 1.037 669 V CA -1.761 60.538 62.300 -0.003 0.000 0.900 669 V CB 0.877 32.695 31.823 -0.007 0.000 0.983 669 V HN 0.218 nan 8.190 nan 0.000 0.459 670 P HA 0.084 nan 4.420 nan 0.000 0.269 670 P C 0.010 177.283 177.300 -0.045 0.000 1.211 670 P CA 0.019 63.109 63.100 -0.016 0.000 0.781 670 P CB 0.564 32.258 31.700 -0.010 0.000 0.877 671 E N 0.125 120.297 120.200 -0.046 0.000 2.569 671 E HA 0.177 4.513 4.350 -0.024 0.000 0.258 671 E C 0.392 176.917 176.600 -0.124 0.000 1.390 671 E CA -0.112 56.241 56.400 -0.078 0.000 1.049 671 E CB 0.100 29.775 29.700 -0.042 0.000 1.009 671 E HN 0.579 nan 8.360 nan 0.000 0.580 672 A N 0.678 123.404 122.820 -0.157 0.000 2.531 672 A HA 0.057 4.362 4.320 -0.024 0.000 0.236 672 A C 0.932 178.472 177.584 -0.074 0.000 1.062 672 A CA 0.255 52.202 52.037 -0.151 0.000 0.760 672 A CB 0.022 18.955 19.000 -0.113 0.000 0.995 672 A HN 0.698 nan 8.150 nan 0.000 0.501 673 M N -0.773 118.793 119.600 -0.058 0.000 2.925 673 M HA -0.173 4.292 4.480 -0.024 0.000 0.187 673 M C 0.869 177.158 176.300 -0.019 0.000 0.634 673 M CA 1.565 56.849 55.300 -0.027 0.000 0.714 673 M CB -2.466 30.125 32.600 -0.014 0.000 2.568 673 M HN 1.206 nan 8.290 nan 0.000 0.281 674 G N 0.951 109.735 108.800 -0.027 0.000 2.476 674 G HA2 0.516 4.462 3.960 -0.024 0.000 0.269 674 G HA3 0.516 4.462 3.960 -0.024 0.000 0.269 674 G C -0.015 174.881 174.900 -0.006 0.000 1.195 674 G CA -0.462 44.630 45.100 -0.013 0.000 0.843 674 G HN 0.374 nan 8.290 nan 0.000 0.545 675 R N 0.294 120.799 120.500 0.008 0.000 2.368 675 R HA 0.371 4.696 4.340 -0.024 0.000 0.302 675 R C -0.618 175.699 176.300 0.029 0.000 1.002 675 R CA -0.761 55.351 56.100 0.020 0.000 0.929 675 R CB 1.728 32.044 30.300 0.027 0.000 1.073 675 R HN 0.316 nan 8.270 nan 0.000 0.464 676 L N 3.427 124.674 121.223 0.040 0.000 2.295 676 L HA 0.334 4.659 4.340 -0.024 0.000 0.281 676 L C -0.500 176.431 176.870 0.101 0.000 1.018 676 L CA -0.187 54.685 54.840 0.054 0.000 0.841 676 L CB 1.396 43.474 42.059 0.032 0.000 1.218 676 L HN 0.741 nan 8.230 nan 0.000 0.424 677 S N 4.861 120.625 115.700 0.106 0.000 2.523 677 S HA 0.560 5.015 4.470 -0.024 0.000 0.275 677 S C -0.712 174.022 174.600 0.223 0.000 1.281 677 S CA -0.467 57.813 58.200 0.133 0.000 1.050 677 S CB 0.913 64.166 63.200 0.089 0.000 0.937 677 S HN 0.562 nan 8.310 nan 0.000 0.492 678 F N 2.871 122.842 119.950 0.035 0.000 3.240 678 F HA 0.434 4.946 4.527 -0.024 0.000 0.370 678 F C -0.660 175.163 175.800 0.038 0.000 1.271 678 F CA -0.604 57.416 58.000 0.034 0.000 1.224 678 F CB 0.902 39.922 39.000 0.033 0.000 1.624 678 F HN 0.700 nan 8.300 nan 0.000 0.658 679 R N 3.869 124.128 120.500 -0.403 0.000 2.549 679 R HA 0.858 5.184 4.340 -0.024 0.000 0.259 679 R C -1.548 174.362 176.300 -0.650 0.000 1.095 679 R CA -1.255 54.582 56.100 -0.438 0.000 1.148 679 R CB 1.860 32.041 30.300 -0.199 0.000 1.181 679 R HN 0.778 nan 8.270 nan 0.000 0.571 680 L N 0.756 121.727 121.223 -0.420 0.000 2.949 680 L HA 0.263 4.588 4.340 -0.024 0.000 0.258 680 L C -1.628 175.130 176.870 -0.187 0.000 0.941 680 L CA -0.392 54.253 54.840 -0.325 0.000 1.053 680 L CB 1.235 43.052 42.059 -0.403 0.000 1.550 680 L HN 0.473 nan 8.230 nan 0.000 0.493 681 K N 5.433 125.758 120.400 -0.126 0.000 2.334 681 K HA 0.540 4.846 4.320 -0.024 0.000 0.265 681 K C -1.275 175.294 176.600 -0.052 0.000 1.039 681 K CA -0.409 55.819 56.287 -0.097 0.000 0.920 681 K CB 1.391 33.839 32.500 -0.087 0.000 1.160 681 K HN 0.679 nan 8.250 nan 0.000 0.451 682 E N 2.607 122.782 120.200 -0.042 0.000 2.745 682 E HA 0.266 4.602 4.350 -0.024 0.000 0.306 682 E C -1.364 175.238 176.600 0.003 0.000 1.090 682 E CA -1.006 55.389 56.400 -0.008 0.000 0.893 682 E CB 0.501 30.209 29.700 0.014 0.000 1.205 682 E HN 0.373 nan 8.360 nan 0.000 0.438 683 L N -0.772 120.458 121.223 0.012 0.000 2.543 683 L HA 0.671 4.997 4.340 -0.024 0.000 0.265 683 L C -0.978 175.910 176.870 0.031 0.000 0.945 683 L CA -1.247 53.608 54.840 0.025 0.000 0.869 683 L CB 2.015 44.083 42.059 0.016 0.000 1.294 683 L HN 0.600 nan 8.230 nan 0.000 0.405 684 R N 1.958 122.483 120.500 0.042 0.000 2.233 684 R HA 0.558 4.883 4.340 -0.024 0.000 0.334 684 R C -2.718 173.603 176.300 0.035 0.000 1.037 684 R CA -1.511 54.612 56.100 0.038 0.000 0.920 684 R CB 1.034 31.362 30.300 0.046 0.000 1.137 684 R HN 0.444 nan 8.270 nan 0.000 0.492 685 P HA 0.252 nan 4.420 nan 0.000 0.276 685 P C -0.959 176.350 177.300 0.015 0.000 1.261 685 P CA -0.512 62.602 63.100 0.025 0.000 0.800 685 P CB 1.219 32.931 31.700 0.020 0.000 1.066 686 K N -0.238 120.170 120.400 0.013 0.000 2.568 686 K HA 0.197 4.502 4.320 -0.024 0.000 0.273 686 K C -0.463 176.140 176.600 0.006 0.000 0.951 686 K CA -0.674 55.613 56.287 -0.000 0.000 0.854 686 K CB 2.081 34.570 32.500 -0.018 0.000 1.424 686 K HN 0.585 nan 8.250 nan 0.000 0.427 687 E N 2.612 122.812 120.200 -0.001 0.000 2.371 687 E HA 0.292 4.627 4.350 -0.024 0.000 0.257 687 E C -0.687 175.920 176.600 0.011 0.000 1.134 687 E CA -0.711 55.692 56.400 0.005 0.000 0.919 687 E CB 0.882 30.582 29.700 -0.001 0.000 1.025 687 E HN 0.179 nan 8.360 nan 0.000 0.438 688 R N 1.787 122.297 120.500 0.017 0.000 2.388 688 R HA 0.146 4.471 4.340 -0.024 0.000 0.314 688 R C -0.653 175.661 176.300 0.023 0.000 0.959 688 R CA -0.717 55.401 56.100 0.029 0.000 0.851 688 R CB 1.256 31.581 30.300 0.042 0.000 1.168 688 R HN 0.653 nan 8.270 nan 0.000 0.472 689 K N 1.072 121.490 120.400 0.030 0.000 2.449 689 K HA 0.143 4.449 4.320 -0.024 0.000 0.237 689 K C 0.486 177.110 176.600 0.040 0.000 1.265 689 K CA -0.164 56.141 56.287 0.030 0.000 1.193 689 K CB -0.141 32.379 32.500 0.033 0.000 1.515 689 K HN 0.551 nan 8.250 nan 0.000 0.259 690 G N 1.105 109.911 108.800 0.011 0.000 2.526 690 G HA2 0.208 4.154 3.960 -0.024 0.000 0.293 690 G HA3 0.208 4.154 3.960 -0.024 0.000 0.293 690 G C 0.532 175.399 174.900 -0.054 0.000 0.882 690 G CA -0.061 45.022 45.100 -0.028 0.000 1.656 690 G HN 0.624 nan 8.290 nan 0.000 0.474 691 A N 3.098 125.917 122.820 -0.003 0.000 1.971 691 A HA 0.647 4.953 4.320 -0.024 0.000 0.200 691 A C 0.267 177.738 177.584 -0.187 0.000 1.658 691 A CA 0.089 52.084 52.037 -0.070 0.000 0.962 691 A CB 0.503 19.514 19.000 0.018 0.000 1.053 691 A HN 0.445 nan 8.150 nan 0.000 0.533 692 F N -1.356 118.622 119.950 0.046 0.000 2.470 692 F HA 0.614 5.127 4.527 -0.024 0.000 0.329 692 F C -0.505 175.398 175.800 0.172 0.000 1.072 692 F CA -0.680 57.373 58.000 0.087 0.000 0.989 692 F CB 1.552 40.590 39.000 0.063 0.000 1.193 692 F HN 0.230 nan 8.300 nan 0.000 0.481 693 Y N 2.930 123.404 120.300 0.291 0.000 2.376 693 Y HA 0.508 5.043 4.550 -0.024 0.000 0.340 693 Y C -1.020 174.977 175.900 0.163 0.000 0.965 693 Y CA -1.476 56.769 58.100 0.241 0.000 1.078 693 Y CB 1.203 39.906 38.460 0.405 0.000 1.193 693 Y HN 0.385 nan 8.280 nan 0.000 0.452 694 L N 7.568 128.480 121.223 -0.519 0.000 2.387 694 L HA 0.338 4.663 4.340 -0.024 0.000 0.267 694 L C 0.656 176.994 176.870 -0.886 0.000 1.197 694 L CA -0.230 54.281 54.840 -0.550 0.000 1.070 694 L CB -0.149 41.664 42.059 -0.411 0.000 1.349 694 L HN 0.516 nan 8.230 nan 0.000 0.422 695 R N 5.522 125.592 120.500 -0.717 0.000 2.473 695 R HA 0.076 4.401 4.340 -0.024 0.000 0.315 695 R C -2.152 173.884 176.300 -0.440 0.000 0.972 695 R CA -1.128 54.602 56.100 -0.616 0.000 1.047 695 R CB 0.501 30.396 30.300 -0.676 0.000 0.932 695 R HN 0.217 nan 8.270 nan 0.000 0.411 696 P HA -0.001 nan 4.420 nan 0.000 0.267 696 P C -0.716 176.500 177.300 -0.140 0.000 1.205 696 P CA 0.173 63.160 63.100 -0.187 0.000 0.765 696 P CB 1.003 32.654 31.700 -0.083 0.000 0.828 697 T N -0.224 114.247 114.554 -0.139 0.000 2.930 697 T HA 0.408 4.743 4.350 -0.024 0.000 0.290 697 T C 1.103 175.757 174.700 -0.077 0.000 1.052 697 T CA -0.914 61.132 62.100 -0.090 0.000 1.017 697 T CB 1.695 70.508 68.868 -0.091 0.000 1.137 697 T HN 0.299 nan 8.240 nan 0.000 0.511 698 M N -0.230 119.324 119.600 -0.076 0.000 2.115 698 M HA 0.224 4.690 4.480 -0.024 0.000 0.261 698 M C -0.255 175.930 176.300 -0.192 0.000 1.079 698 M CA 0.702 55.895 55.300 -0.179 0.000 1.143 698 M CB 0.042 32.456 32.600 -0.310 0.000 1.332 698 M HN 0.670 nan 8.290 nan 0.000 0.421 699 W N 3.185 124.423 121.300 -0.103 0.000 2.295 699 W HA 0.033 4.678 4.660 -0.025 0.000 0.335 699 W C 0.114 176.534 176.519 -0.165 0.000 1.351 699 W CA -0.258 57.017 57.345 -0.117 0.000 1.273 699 W CB 0.100 29.502 29.460 -0.096 0.000 1.214 699 W HN 0.012 nan 8.180 nan 0.000 0.563 700 K N 2.107 122.516 120.400 0.015 0.000 2.098 700 K HA 0.413 4.719 4.320 -0.024 0.000 0.261 700 K C 0.876 177.327 176.600 -0.248 0.000 0.987 700 K CA -0.127 56.062 56.287 -0.162 0.000 0.916 700 K CB 1.134 33.475 32.500 -0.265 0.000 1.039 700 K HN 0.424 nan 8.250 nan 0.000 0.455 701 A N 1.766 124.465 122.820 -0.202 0.000 2.015 701 A HA -0.132 4.174 4.320 -0.024 0.000 0.219 701 A C 1.157 178.608 177.584 -0.223 0.000 1.163 701 A CA 1.325 53.264 52.037 -0.163 0.000 0.646 701 A CB -0.792 18.147 19.000 -0.102 0.000 0.806 701 A HN 0.817 nan 8.150 nan 0.000 0.448 702 H N -0.997 117.865 119.070 -0.346 0.000 2.566 702 H HA 0.240 4.782 4.556 -0.024 0.000 0.280 702 H C 0.672 175.569 175.328 -0.718 0.000 1.042 702 H CA 0.692 56.408 56.048 -0.553 0.000 1.168 702 H CB -0.302 28.972 29.762 -0.814 0.000 1.340 702 H HN 0.625 nan 8.280 nan 0.000 0.597 703 Q N 0.334 119.759 119.800 -0.625 0.000 2.247 703 Q HA 0.304 4.630 4.340 -0.024 0.000 0.211 703 Q C 1.126 177.094 176.000 -0.054 0.000 0.861 703 Q CA 0.145 55.794 55.803 -0.256 0.000 0.949 703 Q CB 0.859 29.590 28.738 -0.011 0.000 1.115 703 Q HN 0.471 nan 8.270 nan 0.000 0.507 704 A N 1.269 124.017 122.820 -0.120 0.000 2.358 704 A HA 0.201 4.506 4.320 -0.024 0.000 0.232 704 A C 0.194 177.756 177.584 -0.037 0.000 1.498 704 A CA 0.132 52.107 52.037 -0.103 0.000 1.400 704 A CB -0.674 18.256 19.000 -0.117 0.000 0.852 704 A HN 0.058 nan 8.150 nan 0.000 0.605 705 V N -0.982 118.957 119.914 0.042 0.000 2.435 705 V HA 0.708 4.814 4.120 -0.024 0.000 0.290 705 V C 1.353 177.477 176.094 0.050 0.000 1.030 705 V CA 0.003 62.353 62.300 0.084 0.000 0.881 705 V CB 0.364 32.309 31.823 0.203 0.000 0.983 705 V HN 1.098 nan 8.190 nan 0.000 0.445 706 G N 4.437 113.246 108.800 0.014 0.000 3.879 706 G HA2 -0.294 3.652 3.960 -0.024 0.000 0.318 706 G HA3 -0.294 3.652 3.960 -0.024 0.000 0.318 706 G C 0.994 175.847 174.900 -0.078 0.000 1.344 706 G CA 0.748 45.839 45.100 -0.014 0.000 1.024 706 G HN 0.589 nan 8.290 nan 0.000 0.681 707 K N 0.899 121.243 120.400 -0.094 0.000 2.244 707 K HA 0.455 4.761 4.320 -0.024 0.000 0.200 707 K C 2.701 179.137 176.600 -0.274 0.000 1.052 707 K CA 1.011 57.150 56.287 -0.247 0.000 0.980 707 K CB -0.104 32.212 32.500 -0.307 0.000 0.838 707 K HN 0.686 nan 8.250 nan 0.000 0.481 708 A N 1.780 124.571 122.820 -0.049 0.000 2.239 708 A HA -0.115 4.191 4.320 -0.024 0.000 0.209 708 A C 2.008 179.453 177.584 -0.232 0.000 1.171 708 A CA 0.683 52.658 52.037 -0.103 0.000 0.768 708 A CB -0.372 18.617 19.000 -0.019 0.000 0.790 708 A HN 0.323 nan 8.150 nan 0.000 0.478 709 Q N -0.299 119.400 119.800 -0.168 0.000 2.002 709 Q HA -0.210 4.115 4.340 -0.024 0.000 0.204 709 Q C 1.773 177.663 176.000 -0.184 0.000 0.988 709 Q CA 1.869 57.584 55.803 -0.146 0.000 0.843 709 Q CB -0.076 28.592 28.738 -0.117 0.000 0.908 709 Q HN 0.609 nan 8.270 nan 0.000 0.420 710 E N -0.821 119.255 120.200 -0.206 0.000 2.216 710 E HA -0.054 4.281 4.350 -0.024 0.000 0.192 710 E C 1.513 177.974 176.600 -0.232 0.000 0.988 710 E CA 0.830 57.117 56.400 -0.189 0.000 0.834 710 E CB 0.153 29.753 29.700 -0.168 0.000 0.772 710 E HN 0.410 nan 8.360 nan 0.000 0.479 711 A N 0.381 122.989 122.820 -0.354 0.000 2.123 711 A HA 0.202 4.507 4.320 -0.024 0.000 0.214 711 A C 1.872 179.028 177.584 -0.713 0.000 1.152 711 A CA 1.018 52.743 52.037 -0.520 0.000 0.728 711 A CB 0.181 18.784 19.000 -0.661 0.000 0.814 711 A HN 0.134 nan 8.150 nan 0.000 0.464 712 A N -0.634 121.849 122.820 -0.560 0.000 2.535 712 A HA 0.430 4.735 4.320 -0.024 0.000 0.273 712 A C 0.845 178.321 177.584 -0.181 0.000 1.267 712 A CA -0.353 51.483 52.037 -0.335 0.000 0.940 712 A CB -0.294 18.550 19.000 -0.260 0.000 1.101 712 A HN 0.426 nan 8.150 nan 0.000 0.521 713 R N 0.152 120.550 120.500 -0.170 0.000 2.738 713 R HA 0.496 4.821 4.340 -0.024 0.000 0.268 713 R C 0.412 176.656 176.300 -0.092 0.000 1.062 713 R CA 0.566 56.598 56.100 -0.114 0.000 1.158 713 R CB 0.397 30.638 30.300 -0.099 0.000 1.046 713 R HN 0.306 nan 8.270 nan 0.000 0.493 714 A N 1.951 124.722 122.820 -0.083 0.000 2.271 714 A HA 0.422 4.727 4.320 -0.024 0.000 0.288 714 A C -1.000 176.542 177.584 -0.071 0.000 1.094 714 A CA -0.503 51.480 52.037 -0.091 0.000 0.828 714 A CB 0.710 19.652 19.000 -0.097 0.000 1.091 714 A HN 0.794 nan 8.150 nan 0.000 0.493 715 E N -0.362 119.771 120.200 -0.111 0.000 2.367 715 E HA 0.663 4.999 4.350 -0.024 0.000 0.273 715 E C -1.477 175.047 176.600 -0.126 0.000 0.903 715 E CA -0.577 55.779 56.400 -0.075 0.000 0.764 715 E CB 1.464 31.146 29.700 -0.029 0.000 1.252 715 E HN 0.426 nan 8.360 nan 0.000 0.446 716 L N 2.244 123.494 121.223 0.046 0.000 2.372 716 L HA 0.528 4.854 4.340 -0.024 0.000 0.273 716 L C -1.543 175.535 176.870 0.346 0.000 0.989 716 L CA -0.712 54.199 54.840 0.119 0.000 0.841 716 L CB 0.693 42.840 42.059 0.146 0.000 1.225 716 L HN 0.576 nan 8.230 nan 0.000 0.414 717 W N 4.146 125.533 121.300 0.145 0.000 2.475 717 W HA 0.759 5.404 4.660 -0.024 0.000 0.317 717 W C -0.071 176.493 176.519 0.074 0.000 1.046 717 W CA -1.214 56.213 57.345 0.137 0.000 1.215 717 W CB 1.605 31.189 29.460 0.205 0.000 1.335 717 W HN 0.498 nan 8.180 nan 0.000 0.471 718 A N 1.821 124.801 122.820 0.267 0.000 2.572 718 A HA 0.469 4.774 4.320 -0.024 0.000 0.295 718 A C -1.501 176.133 177.584 0.083 0.000 1.072 718 A CA -0.938 51.166 52.037 0.112 0.000 0.691 718 A CB 1.007 20.041 19.000 0.056 0.000 1.291 718 A HN 0.646 nan 8.150 nan 0.000 0.404 719 H N 2.159 121.202 119.070 -0.045 0.000 3.034 719 H HA 0.229 4.770 4.556 -0.024 0.000 0.324 719 H C -1.830 173.420 175.328 -0.131 0.000 1.015 719 H CA -0.361 55.643 56.048 -0.073 0.000 1.429 719 H CB 0.881 30.587 29.762 -0.094 0.000 1.429 719 H HN 0.297 nan 8.280 nan 0.000 0.585 720 P HA -0.225 nan 4.420 nan 0.000 0.218 720 P C 0.618 177.638 177.300 -0.467 0.000 1.147 720 P CA 1.752 64.413 63.100 -0.731 0.000 0.827 720 P CB 0.272 31.561 31.700 -0.686 0.000 0.778 721 E N -1.088 118.961 120.200 -0.251 0.000 2.011 721 E HA -0.118 4.217 4.350 -0.024 0.000 0.191 721 E C 2.170 178.748 176.600 -0.038 0.000 0.980 721 E CA 1.880 58.253 56.400 -0.044 0.000 0.814 721 E CB -1.007 28.763 29.700 0.118 0.000 0.775 721 E HN 0.315 nan 8.360 nan 0.000 0.454 722 T N 0.191 114.756 114.554 0.019 0.000 2.778 722 T HA -0.170 4.165 4.350 -0.024 0.000 0.269 722 T C 2.071 176.749 174.700 -0.036 0.000 1.050 722 T CA 1.318 63.404 62.100 -0.022 0.000 1.137 722 T CB -0.378 68.466 68.868 -0.039 0.000 0.860 722 T HN 0.184 nan 8.240 nan 0.000 0.468 723 A N 2.220 125.005 122.820 -0.058 0.000 1.849 723 A HA -0.128 4.178 4.320 -0.024 0.000 0.217 723 A C 2.530 180.102 177.584 -0.020 0.000 1.202 723 A CA 1.986 54.004 52.037 -0.032 0.000 0.629 723 A CB -0.922 18.025 19.000 -0.088 0.000 0.834 723 A HN 0.545 nan 8.150 nan 0.000 0.447 724 R N -0.574 119.879 120.500 -0.079 0.000 2.276 724 R HA 0.096 4.421 4.340 -0.024 0.000 0.203 724 R C 2.069 178.356 176.300 -0.022 0.000 1.017 724 R CA 0.899 56.978 56.100 -0.035 0.000 1.010 724 R CB -0.280 29.978 30.300 -0.070 0.000 0.900 724 R HN 0.496 nan 8.270 nan 0.000 0.469 725 A N 0.451 123.253 122.820 -0.030 0.000 1.930 725 A HA -0.124 4.182 4.320 -0.024 0.000 0.217 725 A C 1.519 179.097 177.584 -0.011 0.000 1.175 725 A CA 1.083 53.107 52.037 -0.021 0.000 0.627 725 A CB -0.065 18.919 19.000 -0.026 0.000 0.815 725 A HN 0.383 nan 8.150 nan 0.000 0.443 726 E N -0.810 119.387 120.200 -0.005 0.000 2.423 726 E HA 0.457 4.792 4.350 -0.024 0.000 0.198 726 E C 0.073 176.685 176.600 0.021 0.000 1.038 726 E CA 0.246 56.649 56.400 0.006 0.000 1.011 726 E CB -0.246 29.455 29.700 0.002 0.000 1.118 726 E HN 0.674 nan 8.360 nan 0.000 0.451 727 A N 0.815 123.646 122.820 0.020 0.000 2.475 727 A HA -0.184 4.121 4.320 -0.024 0.000 0.295 727 A C -0.454 177.156 177.584 0.042 0.000 1.457 727 A CA 0.659 52.712 52.037 0.027 0.000 0.734 727 A CB -1.975 17.038 19.000 0.021 0.000 1.118 727 A HN 0.367 nan 8.150 nan 0.000 0.400 728 L N 0.544 121.804 121.223 0.060 0.000 2.490 728 L HA 0.377 4.702 4.340 -0.024 0.000 0.256 728 L C -2.352 174.594 176.870 0.127 0.000 1.089 728 L CA -1.907 52.984 54.840 0.084 0.000 0.916 728 L CB 1.753 43.870 42.059 0.097 0.000 1.188 728 L HN 0.179 nan 8.230 nan 0.000 0.476 729 P HA -0.042 nan 4.420 nan 0.000 0.268 729 P C 0.724 178.008 177.300 -0.027 0.000 1.208 729 P CA -0.057 63.081 63.100 0.064 0.000 0.777 729 P CB 0.830 32.542 31.700 0.021 0.000 0.875 730 E N 0.960 121.046 120.200 -0.190 0.000 2.331 730 E HA -0.092 4.243 4.350 -0.024 0.000 0.199 730 E C 0.412 176.858 176.600 -0.258 0.000 1.008 730 E CA 0.800 56.875 56.400 -0.542 0.000 0.843 730 E CB -0.338 29.004 29.700 -0.596 0.000 0.761 730 E HN 0.628 nan 8.360 nan 0.000 0.507 731 G N -0.006 108.718 108.800 -0.128 0.000 3.829 731 G HA2 0.572 4.517 3.960 -0.024 0.000 0.289 731 G HA3 0.572 4.517 3.960 -0.024 0.000 0.289 731 G C -1.107 173.768 174.900 -0.042 0.000 1.274 731 G CA 0.090 45.144 45.100 -0.076 0.000 0.698 731 G HN 0.243 nan 8.290 nan 0.000 0.488 732 A N 0.857 123.662 122.820 -0.025 0.000 2.435 732 A HA 0.797 5.102 4.320 -0.024 0.000 0.304 732 A C -0.418 177.165 177.584 -0.001 0.000 1.064 732 A CA -0.670 51.361 52.037 -0.010 0.000 0.727 732 A CB 1.661 20.662 19.000 0.000 0.000 1.284 732 A HN 0.210 nan 8.150 nan 0.000 0.415 733 Q N 1.704 121.501 119.800 -0.004 0.000 2.566 733 Q HA 0.285 4.610 4.340 -0.024 0.000 0.221 733 Q C -0.564 175.436 176.000 0.001 0.000 1.195 733 Q CA -0.024 55.776 55.803 -0.005 0.000 0.967 733 Q CB 0.848 29.578 28.738 -0.014 0.000 1.337 733 Q HN 0.489 nan 8.270 nan 0.000 0.553 734 V N 1.538 121.459 119.914 0.011 0.000 2.583 734 V HA 0.393 4.498 4.120 -0.024 0.000 0.287 734 V C 0.343 176.442 176.094 0.008 0.000 1.051 734 V CA -0.513 61.798 62.300 0.019 0.000 1.010 734 V CB 1.416 33.263 31.823 0.040 0.000 0.988 734 V HN 0.678 nan 8.190 nan 0.000 0.478 735 A N 5.127 127.950 122.820 0.005 0.000 2.310 735 A HA 0.776 5.082 4.320 -0.024 0.000 0.299 735 A C -0.638 176.941 177.584 -0.009 0.000 1.147 735 A CA -0.374 51.658 52.037 -0.008 0.000 0.818 735 A CB 0.970 19.963 19.000 -0.010 0.000 1.096 735 A HN 0.681 nan 8.150 nan 0.000 0.495 736 V N 1.695 121.586 119.914 -0.039 0.000 2.841 736 V HA 0.475 4.581 4.120 -0.024 0.000 0.310 736 V C -0.441 175.574 176.094 -0.131 0.000 1.090 736 V CA -0.585 61.668 62.300 -0.079 0.000 0.930 736 V CB 1.961 33.721 31.823 -0.104 0.000 1.014 736 V HN 1.033 nan 8.190 nan 0.000 0.425 737 E N 1.819 121.919 120.200 -0.166 0.000 2.176 737 E HA 0.745 5.081 4.350 -0.024 0.000 0.267 737 E C -0.981 175.481 176.600 -0.230 0.000 0.893 737 E CA -0.257 56.050 56.400 -0.155 0.000 0.761 737 E CB 1.830 31.476 29.700 -0.090 0.000 1.133 737 E HN 0.827 nan 8.360 nan 0.000 0.409 738 T N 3.299 117.742 114.554 -0.184 0.000 2.887 738 T HA 0.290 4.625 4.350 -0.024 0.000 0.292 738 T C -2.146 172.481 174.700 -0.122 0.000 1.087 738 T CA -1.583 60.422 62.100 -0.159 0.000 1.009 738 T CB 1.342 70.145 68.868 -0.107 0.000 1.203 738 T HN 0.257 nan 8.240 nan 0.000 0.518 739 P HA -0.034 nan 4.420 nan 0.000 0.219 739 P C 0.446 177.444 177.300 -0.504 0.000 1.144 739 P CA 1.191 64.087 63.100 -0.339 0.000 0.806 739 P CB -0.092 31.353 31.700 -0.424 0.000 0.771 740 F N -1.905 117.972 119.950 -0.123 0.000 2.695 740 F HA 0.418 4.931 4.527 -0.024 0.000 0.303 740 F C 1.504 177.242 175.800 -0.104 0.000 1.091 740 F CA 0.648 58.587 58.000 -0.101 0.000 1.300 740 F CB 0.250 39.208 39.000 -0.070 0.000 1.071 740 F HN -0.110 nan 8.300 nan 0.000 0.578 741 G N 0.578 109.378 108.800 -0.001 0.000 2.340 741 G HA2 0.017 3.963 3.960 -0.024 0.000 0.527 741 G HA3 0.017 3.963 3.960 -0.024 0.000 0.527 741 G C -1.482 173.389 174.900 -0.048 0.000 1.381 741 G CA -1.292 43.787 45.100 -0.035 0.000 1.001 741 G HN 0.077 nan 8.290 nan 0.000 0.626 742 R N -0.006 120.466 120.500 -0.046 0.000 2.221 742 R HA 0.605 4.930 4.340 -0.024 0.000 0.327 742 R C -0.725 175.551 176.300 -0.041 0.000 1.033 742 R CA -0.352 55.717 56.100 -0.051 0.000 0.887 742 R CB 0.804 31.079 30.300 -0.042 0.000 1.057 742 R HN 0.584 nan 8.270 nan 0.000 0.455 743 V N 5.018 124.899 119.914 -0.056 0.000 2.638 743 V HA 0.207 4.313 4.120 -0.024 0.000 0.306 743 V C 0.060 176.123 176.094 -0.050 0.000 1.052 743 V CA -1.036 61.232 62.300 -0.053 0.000 0.885 743 V CB 1.617 33.401 31.823 -0.066 0.000 0.999 743 V HN 0.837 nan 8.190 nan 0.000 0.424 744 E N 3.938 124.113 120.200 -0.042 0.000 2.374 744 E HA 0.702 5.038 4.350 -0.024 0.000 0.260 744 E C -0.461 176.117 176.600 -0.036 0.000 1.101 744 E CA -0.384 55.996 56.400 -0.033 0.000 0.907 744 E CB 2.099 31.782 29.700 -0.028 0.000 1.014 744 E HN 0.971 nan 8.360 nan 0.000 0.427 745 A N 2.225 125.032 122.820 -0.022 0.000 2.555 745 A HA 0.415 4.721 4.320 -0.024 0.000 0.297 745 A C -0.654 176.933 177.584 0.006 0.000 1.060 745 A CA -0.895 51.132 52.037 -0.017 0.000 0.710 745 A CB 0.898 19.886 19.000 -0.020 0.000 1.282 745 A HN 0.759 nan 8.150 nan 0.000 0.399 746 R N 0.745 121.251 120.500 0.011 0.000 2.594 746 R HA 0.578 4.903 4.340 -0.024 0.000 0.272 746 R C -0.316 176.026 176.300 0.070 0.000 1.074 746 R CA -0.355 55.761 56.100 0.028 0.000 1.105 746 R CB 1.034 31.349 30.300 0.025 0.000 1.008 746 R HN 0.982 nan 8.270 nan 0.000 0.472 747 V N 3.631 123.583 119.914 0.063 0.000 2.417 747 V HA 0.550 4.656 4.120 -0.024 0.000 0.291 747 V C -0.870 175.268 176.094 0.074 0.000 1.024 747 V CA -0.628 61.732 62.300 0.101 0.000 0.861 747 V CB 1.676 33.546 31.823 0.078 0.000 0.985 747 V HN 0.653 nan 8.190 nan 0.000 0.436 748 V N 6.440 126.458 119.914 0.173 0.000 2.604 748 V HA 0.512 4.617 4.120 -0.024 0.000 0.305 748 V C -0.376 175.773 176.094 0.093 0.000 1.043 748 V CA -0.692 61.644 62.300 0.060 0.000 0.888 748 V CB 1.831 33.691 31.823 0.061 0.000 0.995 748 V HN 0.999 nan 8.190 nan 0.000 0.429 749 H N 4.352 123.392 119.070 -0.049 0.000 2.620 749 H HA 0.583 5.124 4.556 -0.024 0.000 0.313 749 H C -0.223 175.021 175.328 -0.140 0.000 1.075 749 H CA -0.548 55.450 56.048 -0.085 0.000 1.397 749 H CB 0.839 30.540 29.762 -0.102 0.000 1.446 749 H HN 0.423 nan 8.280 nan 0.000 0.493 750 R N 2.753 123.255 120.500 0.003 0.000 2.518 750 R HA 0.064 4.389 4.340 -0.024 0.000 0.296 750 R C 0.036 176.346 176.300 0.016 0.000 1.080 750 R CA -0.503 55.562 56.100 -0.060 0.000 0.922 750 R CB 1.630 31.823 30.300 -0.178 0.000 1.184 750 R HN 0.763 nan 8.270 nan 0.000 0.445 751 E N 1.338 121.545 120.200 0.012 0.000 2.510 751 E HA -0.163 4.173 4.350 -0.024 0.000 0.202 751 E C 0.591 177.303 176.600 0.186 0.000 1.072 751 E CA 1.000 57.476 56.400 0.127 0.000 0.883 751 E CB 0.269 30.011 29.700 0.069 0.000 0.818 751 E HN 0.546 nan 8.360 nan 0.000 0.548 752 D N -0.330 120.151 120.400 0.135 0.000 2.379 752 D HA -0.025 4.600 4.640 -0.024 0.000 0.208 752 D C 0.510 176.939 176.300 0.215 0.000 1.065 752 D CA 0.026 54.119 54.000 0.155 0.000 0.848 752 D CB 0.252 41.140 40.800 0.146 0.000 0.949 752 D HN -0.110 nan 8.370 nan 0.000 0.509 753 V N 3.684 123.733 119.914 0.226 0.000 2.508 753 V HA 0.170 4.275 4.120 -0.024 0.000 0.281 753 V C -1.955 174.173 176.094 0.057 0.000 1.041 753 V CA -1.321 61.114 62.300 0.225 0.000 1.016 753 V CB 0.863 32.788 31.823 0.171 0.000 0.984 753 V HN 0.056 nan 8.190 nan 0.000 0.478 754 P HA 0.026 nan 4.420 nan 0.000 0.262 754 P C -0.333 176.766 177.300 -0.334 0.000 1.182 754 P CA -0.256 62.761 63.100 -0.139 0.000 0.761 754 P CB 0.551 32.231 31.700 -0.033 0.000 0.795 755 K N 2.546 122.727 120.400 -0.365 0.000 2.489 755 K HA 0.235 4.541 4.320 -0.024 0.000 0.278 755 K C 1.427 177.734 176.600 -0.488 0.000 1.000 755 K CA 1.439 57.513 56.287 -0.356 0.000 1.012 755 K CB -0.736 31.566 32.500 -0.331 0.000 0.903 755 K HN 0.765 nan 8.250 nan 0.000 0.485 756 G N 2.623 111.237 108.800 -0.311 0.000 2.179 756 G HA2 -0.290 3.655 3.960 -0.024 0.000 0.257 756 G HA3 -0.290 3.655 3.960 -0.024 0.000 0.257 756 G C -0.462 174.299 174.900 -0.231 0.000 1.010 756 G CA 0.746 45.693 45.100 -0.255 0.000 0.736 756 G HN 0.813 nan 8.290 nan 0.000 0.513 757 H N -1.876 117.070 119.070 -0.206 0.000 2.771 757 H HA 0.745 5.287 4.556 -0.024 0.000 0.367 757 H C -0.548 174.577 175.328 -0.339 0.000 1.172 757 H CA -1.328 54.550 56.048 -0.285 0.000 1.186 757 H CB 1.669 31.247 29.762 -0.306 0.000 1.790 757 H HN 0.108 nan 8.280 nan 0.000 0.556 758 L N 1.869 122.954 121.223 -0.230 0.000 2.381 758 L HA 0.265 4.590 4.340 -0.024 0.000 0.274 758 L C -1.150 175.762 176.870 0.070 0.000 0.988 758 L CA -0.374 54.370 54.840 -0.160 0.000 0.824 758 L CB 1.042 42.959 42.059 -0.237 0.000 1.263 758 L HN 0.583 nan 8.230 nan 0.000 0.410 759 Y N 3.777 124.180 120.300 0.172 0.000 2.383 759 Y HA 0.451 4.986 4.550 -0.024 0.000 0.344 759 Y C -0.122 175.734 175.900 -0.073 0.000 0.986 759 Y CA -0.783 57.369 58.100 0.086 0.000 1.175 759 Y CB 1.531 40.014 38.460 0.038 0.000 1.152 759 Y HN 0.401 nan 8.280 nan 0.000 0.511 760 L N 3.074 124.361 121.223 0.106 0.000 2.309 760 L HA 0.350 4.675 4.340 -0.024 0.000 0.282 760 L C 0.258 176.969 176.870 -0.263 0.000 1.036 760 L CA -0.118 54.680 54.840 -0.070 0.000 0.806 760 L CB 1.756 43.798 42.059 -0.029 0.000 1.220 760 L HN 0.458 nan 8.230 nan 0.000 0.429 761 S N 3.853 119.368 115.700 -0.309 0.000 2.519 761 S HA 0.305 4.760 4.470 -0.024 0.000 0.310 761 S C 0.476 174.918 174.600 -0.264 0.000 1.201 761 S CA -0.245 57.758 58.200 -0.329 0.000 1.179 761 S CB -0.370 62.676 63.200 -0.257 0.000 1.104 761 S HN 0.750 nan 8.310 nan 0.000 0.527 762 A N 6.523 129.161 122.820 -0.302 0.000 3.026 762 A HA 0.292 4.597 4.320 -0.024 0.000 0.272 762 A C 0.917 178.357 177.584 -0.239 0.000 1.782 762 A CA -0.266 51.598 52.037 -0.290 0.000 1.451 762 A CB -0.588 18.203 19.000 -0.348 0.000 1.081 762 A HN 0.936 nan 8.150 nan 0.000 0.611 763 L N 1.395 122.500 121.223 -0.196 0.000 2.693 763 L HA 0.142 4.468 4.340 -0.024 0.000 0.242 763 L C 1.381 178.152 176.870 -0.165 0.000 1.157 763 L CA 0.244 54.991 54.840 -0.155 0.000 0.929 763 L CB -0.460 41.526 42.059 -0.122 0.000 1.103 763 L HN 0.686 nan 8.230 nan 0.000 0.430 764 G N -0.260 108.412 108.800 -0.214 0.000 3.262 764 G HA2 0.434 4.379 3.960 -0.024 0.000 0.229 764 G HA3 0.434 4.379 3.960 -0.024 0.000 0.229 764 G C -2.339 172.367 174.900 -0.323 0.000 1.280 764 G CA -0.352 44.601 45.100 -0.245 0.000 0.951 764 G HN -0.120 nan 8.290 nan 0.000 0.589 765 P HA 0.320 nan 4.420 nan 0.000 0.254 765 P C -0.035 177.026 177.300 -0.399 0.000 1.620 765 P CA 0.186 63.009 63.100 -0.462 0.000 1.050 765 P CB 0.919 32.218 31.700 -0.669 0.000 1.539 766 A N -0.385 122.221 122.820 -0.358 0.000 2.701 766 A HA 0.647 4.953 4.320 -0.024 0.000 0.297 766 A C 0.842 178.225 177.584 -0.334 0.000 1.197 766 A CA -0.424 51.417 52.037 -0.326 0.000 0.963 766 A CB -0.174 18.355 19.000 -0.785 0.000 1.175 766 A HN 0.266 nan 8.150 nan 0.000 0.531 767 A N -1.045 121.617 122.820 -0.264 0.000 2.304 767 A HA 0.568 4.874 4.320 -0.024 0.000 0.271 767 A C 1.364 178.830 177.584 -0.198 0.000 1.091 767 A CA 0.284 52.159 52.037 -0.269 0.000 0.812 767 A CB -0.204 18.658 19.000 -0.231 0.000 1.056 767 A HN 1.961 nan 8.150 nan 0.000 0.489 768 G N -0.588 108.042 108.800 -0.284 0.000 2.246 768 G HA2 -0.159 3.786 3.960 -0.024 0.000 0.273 768 G HA3 -0.159 3.786 3.960 -0.024 0.000 0.273 768 G C -0.256 174.663 174.900 0.032 0.000 1.055 768 G CA 0.565 45.619 45.100 -0.078 0.000 0.851 768 G HN 0.733 nan 8.290 nan 0.000 0.500 769 L N -0.733 120.428 121.223 -0.104 0.000 2.342 769 L HA 0.670 4.996 4.340 -0.024 0.000 0.271 769 L C 0.677 177.627 176.870 0.134 0.000 1.008 769 L CA -1.183 53.683 54.840 0.043 0.000 0.818 769 L CB 1.670 43.733 42.059 0.006 0.000 1.296 769 L HN 0.156 nan 8.230 nan 0.000 0.427 770 R N 2.170 122.784 120.500 0.190 0.000 2.338 770 R HA 0.763 5.088 4.340 -0.024 0.000 0.317 770 R C -1.251 175.141 176.300 0.154 0.000 0.968 770 R CA -0.630 55.594 56.100 0.206 0.000 0.849 770 R CB 1.873 32.269 30.300 0.159 0.000 1.128 770 R HN 0.333 nan 8.270 nan 0.000 0.448 771 V N -0.067 119.956 119.914 0.183 0.000 3.232 771 V HA 0.342 4.447 4.120 -0.024 0.000 0.303 771 V C -0.368 175.849 176.094 0.205 0.000 1.311 771 V CA -1.314 61.080 62.300 0.156 0.000 1.061 771 V CB 2.203 34.118 31.823 0.152 0.000 1.085 771 V HN 0.574 nan 8.190 nan 0.000 0.447 772 E N 0.668 120.952 120.200 0.140 0.000 2.322 772 E HA 0.798 5.133 4.350 -0.024 0.000 0.257 772 E C 0.282 176.984 176.600 0.171 0.000 1.155 772 E CA 0.546 57.054 56.400 0.180 0.000 0.936 772 E CB 1.517 31.266 29.700 0.082 0.000 1.130 772 E HN 1.300 nan 8.360 nan 0.000 0.465 773 G N -0.129 108.809 108.800 0.230 0.000 2.361 773 G HA2 0.325 4.270 3.960 -0.024 0.000 0.305 773 G HA3 0.325 4.270 3.960 -0.024 0.000 0.305 773 G C -1.291 173.815 174.900 0.344 0.000 1.367 773 G CA -0.599 44.535 45.100 0.056 0.000 0.951 773 G HN 0.546 nan 8.290 nan 0.000 0.615 774 R N -1.612 118.985 120.500 0.161 0.000 2.747 774 R HA 0.684 5.010 4.340 -0.024 0.000 0.272 774 R C -1.663 174.732 176.300 0.158 0.000 1.032 774 R CA -0.668 55.599 56.100 0.277 0.000 0.896 774 R CB 0.751 31.148 30.300 0.162 0.000 1.253 774 R HN 1.019 nan 8.270 nan 0.000 0.461 775 V N 3.046 123.061 119.914 0.169 0.000 2.334 775 V HA 0.297 4.402 4.120 -0.024 0.000 0.267 775 V C 0.703 176.832 176.094 0.059 0.000 1.040 775 V CA -0.739 61.625 62.300 0.106 0.000 0.866 775 V CB 0.622 32.515 31.823 0.118 0.000 1.019 775 V HN 0.435 nan 8.190 nan 0.000 0.468 776 L N 5.769 127.012 121.223 0.033 0.000 2.461 776 L HA 0.515 4.841 4.340 -0.024 0.000 0.272 776 L C 0.033 176.915 176.870 0.019 0.000 1.197 776 L CA -0.117 54.735 54.840 0.019 0.000 0.836 776 L CB 0.309 42.371 42.059 0.005 0.000 1.105 776 L HN 0.345 nan 8.230 nan 0.000 0.477 777 V N 0.000 119.923 119.914 0.016 0.000 2.409 777 V HA 0.000 4.105 4.120 -0.024 0.000 0.244 777 V CA 0.000 62.308 62.300 0.014 0.000 1.235 777 V CB 0.000 31.832 31.823 0.016 0.000 1.184 777 V HN 0.000 nan 8.190 nan 0.000 0.556