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 3okt_1_A DATA FIRST_RESID 36 DATA SEQUENCE PQYSTFHSEN RDWTFNHLTV HRRTGAVYVG AINRVYKLTG NLTIQVAHKT DATA SEQUENCE GPEEDNKAcY PPLIVQPcSE VLTLTNNVNK LLIIDYSENR LLAcGSLYQG DATA SEQUENCE VcKLLRLDDL FILVEPSHKK EHYLSSVNKT GTMYGVIVRS EGEDGKLFIG DATA SEQUENCE TAVDGKQDYF PTLSSRKLPR DPESSAMLDY ELHSDFVSSL IKIPSDTLAL DATA SEQUENCE VSHFDIFYIY GFASGGFVYF LTVQPETPXX XXXXXXXDLF YTSRIVRLcK DATA SEQUENCE DDPKFHSYVS LPFGcTRAGV EYRLLQAAYL AKPGEALAQA FNISSDEDVL DATA SEQUENCE FAIFSKGQKQ YHHPPDDSAL cAFPIRAINL QIKERLQScY HGEGNLELNW DATA SEQUENCE LLGKDVQcTK APVPIDDNFc GLDINQPLGG STPVEGLTLY TTSRDRLTSV DATA SEQUENCE ASYVYNGYSV VFVGTKSGKL KKIRADGPPH GGVQYEMVSV FKDGSPILRD DATA SEQUENCE MAFSINQLYL YVMSERQVTR VPVEScEQYT TcGEcLSSGD PHcGWcALHN DATA SEQUENCE McSRRDKcQR AWEANRFAAS ISQcMSLEVH PNSISVSDHS RLLSLVVNDA DATA SEQUENCE PNLSEGIAcA FGNLTEVEGQ VSGSQVIcIS PGPKDVPVIP LXXDWFGLEL DATA SEQUENCE QLRSKETGKI FVSTEFKFYN cSAHQLcLSc VNSAFRcHWc KYRNLcTHDP DATA SEQUENCE TTcSFQEGRI NVSEDcP 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 36 P HA 0.000 nan 4.420 nan 0.000 0.216 36 P C 0.000 177.070 177.300 -0.383 0.000 1.155 36 P CA 0.000 62.977 63.100 -0.205 0.000 0.800 36 P CB 0.000 31.595 31.700 -0.175 0.000 0.726 37 Q N 0.870 120.510 119.800 -0.267 0.000 2.347 37 Q HA 0.416 4.756 4.340 -0.000 0.000 0.262 37 Q C -0.821 175.080 176.000 -0.165 0.000 0.980 37 Q CA -0.330 55.308 55.803 -0.275 0.000 0.867 37 Q CB 0.376 29.043 28.738 -0.119 0.000 1.242 37 Q HN 0.248 nan 8.270 nan 0.000 0.453 38 Y N 0.557 120.844 120.300 -0.023 0.000 2.314 38 Y HA 0.284 4.834 4.550 -0.000 0.000 0.334 38 Y C 0.990 176.873 175.900 -0.029 0.000 1.266 38 Y CA -0.950 57.131 58.100 -0.032 0.000 1.391 38 Y CB 0.946 39.370 38.460 -0.061 0.000 1.306 38 Y HN 0.427 nan 8.280 nan 0.000 0.558 39 S N 0.972 116.748 115.700 0.128 0.000 2.549 39 S HA 0.146 4.616 4.470 -0.000 0.000 0.286 39 S C 0.005 174.651 174.600 0.077 0.000 1.314 39 S CA -0.163 58.070 58.200 0.056 0.000 1.062 39 S CB 0.608 63.797 63.200 -0.020 0.000 0.865 39 S HN 0.616 nan 8.310 nan 0.000 0.498 40 T N 2.249 116.847 114.554 0.073 0.000 2.900 40 T HA 0.627 4.977 4.350 -0.000 0.000 0.303 40 T C -1.911 172.816 174.700 0.045 0.000 1.142 40 T CA -0.596 61.532 62.100 0.046 0.000 1.007 40 T CB 0.733 69.588 68.868 -0.021 0.000 1.156 40 T HN 0.404 nan 8.240 nan 0.000 0.490 41 F N 4.049 123.907 119.950 -0.155 0.000 2.547 41 F HA 0.593 5.120 4.527 -0.000 0.000 0.316 41 F C -0.632 175.085 175.800 -0.139 0.000 1.121 41 F CA -0.694 57.230 58.000 -0.127 0.000 0.911 41 F CB 1.338 40.288 39.000 -0.083 0.000 1.179 41 F HN 0.620 nan 8.300 nan 0.000 0.443 42 H N 2.770 121.439 119.070 -0.669 0.000 2.479 42 H HA 0.348 4.903 4.556 -0.000 0.000 0.335 42 H C -0.157 174.718 175.328 -0.755 0.000 1.142 42 H CA -0.613 55.116 56.048 -0.533 0.000 1.234 42 H CB 1.821 31.374 29.762 -0.349 0.000 1.503 42 H HN 0.649 nan 8.280 nan 0.000 0.510 43 S N 1.226 116.655 115.700 -0.452 0.000 2.560 43 S HA -0.035 4.435 4.470 -0.000 0.000 0.284 43 S C 0.978 175.476 174.600 -0.170 0.000 1.327 43 S CA -0.550 57.464 58.200 -0.310 0.000 1.055 43 S CB 0.844 63.724 63.200 -0.533 0.000 0.868 43 S HN 0.672 nan 8.310 nan 0.000 0.506 44 E N 1.139 121.357 120.200 0.030 0.000 2.331 44 E HA -0.110 4.240 4.350 -0.000 0.000 0.199 44 E C 0.599 177.033 176.600 -0.276 0.000 1.008 44 E CA 0.661 57.032 56.400 -0.049 0.000 0.843 44 E CB 0.010 29.793 29.700 0.138 0.000 0.761 44 E HN 0.691 nan 8.360 nan 0.000 0.507 45 N N -0.680 117.831 118.700 -0.314 0.000 2.636 45 N HA 0.037 4.777 4.740 -0.000 0.000 0.261 45 N C -0.534 174.806 175.510 -0.283 0.000 1.195 45 N CA -0.444 52.322 53.050 -0.474 0.000 0.902 45 N CB 1.186 39.001 38.487 -1.121 0.000 1.627 45 N HN -0.175 nan 8.380 nan 0.000 0.491 46 R N 0.843 121.203 120.500 -0.232 0.000 2.357 46 R HA 0.010 4.349 4.340 -0.000 0.000 0.202 46 R C -0.355 175.899 176.300 -0.076 0.000 1.047 46 R CA 1.106 57.117 56.100 -0.149 0.000 1.034 46 R CB 0.242 30.465 30.300 -0.129 0.000 0.875 46 R HN 0.460 nan 8.270 nan 0.000 0.473 47 D N -1.531 118.856 120.400 -0.022 0.000 2.479 47 D HA -0.001 4.639 4.640 -0.000 0.000 0.221 47 D C -0.440 176.051 176.300 0.319 0.000 1.104 47 D CA 0.201 54.276 54.000 0.125 0.000 0.849 47 D CB 0.179 41.076 40.800 0.161 0.000 1.072 47 D HN 0.128 nan 8.370 nan 0.000 0.502 48 W N 3.711 124.998 121.300 -0.020 0.000 1.518 48 W HA 0.205 4.865 4.660 -0.000 0.000 0.426 48 W C 0.576 177.103 176.519 0.013 0.000 0.675 48 W CA -1.154 56.209 57.345 0.032 0.000 1.936 48 W CB -1.373 28.139 29.460 0.087 0.000 1.749 48 W HN -0.238 nan 8.180 nan 0.000 0.247 49 T N -1.620 113.037 114.554 0.171 0.000 2.898 49 T HA 0.283 4.633 4.350 -0.000 0.000 0.301 49 T C 0.168 174.992 174.700 0.206 0.000 1.049 49 T CA -0.561 61.562 62.100 0.037 0.000 1.095 49 T CB 1.045 69.921 68.868 0.013 0.000 0.976 49 T HN -0.062 nan 8.240 nan 0.000 0.539 50 F N 1.992 121.996 119.950 0.091 0.000 2.459 50 F HA 0.335 4.862 4.527 -0.000 0.000 0.346 50 F C 1.370 177.179 175.800 0.015 0.000 1.128 50 F CA -1.301 56.756 58.000 0.095 0.000 1.268 50 F CB 0.056 39.111 39.000 0.093 0.000 1.161 50 F HN 0.752 nan 8.300 nan 0.000 0.583 51 N N -0.161 118.652 118.700 0.188 0.000 2.677 51 N HA 0.117 4.857 4.740 -0.000 0.000 0.242 51 N C -0.763 174.540 175.510 -0.345 0.000 1.044 51 N CA -0.274 52.714 53.050 -0.103 0.000 0.934 51 N CB 0.449 38.880 38.487 -0.093 0.000 1.595 51 N HN 0.543 nan 8.380 nan 0.000 0.459 52 H N -0.720 118.423 119.070 0.120 0.000 2.985 52 H HA 0.660 5.216 4.556 -0.000 0.000 0.360 52 H C -1.651 173.713 175.328 0.061 0.000 1.221 52 H CA -0.753 55.353 56.048 0.096 0.000 1.121 52 H CB 2.685 32.486 29.762 0.065 0.000 1.854 52 H HN -0.092 nan 8.280 nan 0.000 0.551 53 L N 0.822 122.173 121.223 0.214 0.000 2.513 53 L HA 0.664 5.004 4.340 -0.000 0.000 0.261 53 L C -1.436 175.504 176.870 0.117 0.000 0.945 53 L CA -0.203 54.701 54.840 0.107 0.000 0.848 53 L CB 2.416 44.515 42.059 0.067 0.000 1.334 53 L HN 0.724 nan 8.230 nan 0.000 0.407 54 T N 2.923 117.530 114.554 0.089 0.000 2.982 54 T HA 0.667 5.017 4.350 -0.000 0.000 0.321 54 T C -1.763 173.007 174.700 0.117 0.000 1.229 54 T CA -0.315 61.854 62.100 0.115 0.000 1.044 54 T CB 1.643 70.566 68.868 0.093 0.000 1.184 54 T HN 0.364 nan 8.240 nan 0.000 0.477 55 V N 4.876 124.870 119.914 0.133 0.000 2.495 55 V HA 0.419 4.538 4.120 -0.000 0.000 0.298 55 V C 0.001 176.250 176.094 0.258 0.000 1.031 55 V CA -0.962 61.413 62.300 0.125 0.000 0.871 55 V CB 1.569 33.437 31.823 0.075 0.000 0.988 55 V HN 0.887 nan 8.190 nan 0.000 0.432 56 H N 5.545 124.748 119.070 0.222 0.000 3.086 56 H HA 0.112 4.668 4.556 -0.000 0.000 0.265 56 H C 1.508 177.012 175.328 0.294 0.000 1.092 56 H CA 0.025 56.262 56.048 0.316 0.000 1.487 56 H CB 0.705 30.646 29.762 0.299 0.000 1.514 56 H HN 0.772 nan 8.280 nan 0.000 0.497 57 R N 3.847 124.543 120.500 0.327 0.000 2.154 57 R HA -0.181 4.159 4.340 -0.000 0.000 0.248 57 R C 1.346 177.798 176.300 0.253 0.000 1.155 57 R CA 1.659 57.876 56.100 0.196 0.000 0.979 57 R CB -0.032 30.239 30.300 -0.048 0.000 0.869 57 R HN 0.462 nan 8.270 nan 0.000 0.452 58 R N 0.072 120.856 120.500 0.474 0.000 2.128 58 R HA 0.040 4.380 4.340 -0.000 0.000 0.211 58 R C 2.273 178.709 176.300 0.226 0.000 1.067 58 R CA 1.475 57.770 56.100 0.325 0.000 1.010 58 R CB 0.075 30.573 30.300 0.330 0.000 0.922 58 R HN 0.514 nan 8.270 nan 0.000 0.457 59 T N -3.296 111.389 114.554 0.219 0.000 3.044 59 T HA 0.161 4.511 4.350 -0.000 0.000 0.255 59 T C 1.588 176.327 174.700 0.065 0.000 1.073 59 T CA 0.791 62.905 62.100 0.023 0.000 1.125 59 T CB 0.582 69.344 68.868 -0.178 0.000 0.908 59 T HN 0.371 nan 8.240 nan 0.000 0.480 60 G N 1.689 110.574 108.800 0.142 0.000 2.205 60 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.261 60 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.261 60 G C 0.409 175.305 174.900 -0.007 0.000 0.980 60 G CA 0.045 45.203 45.100 0.097 0.000 0.632 60 G HN 1.280 nan 8.290 nan 0.000 0.533 61 A N -0.176 122.621 122.820 -0.038 0.000 2.565 61 A HA 0.513 4.832 4.320 -0.000 0.000 0.237 61 A C 0.594 177.954 177.584 -0.374 0.000 1.053 61 A CA 0.940 52.830 52.037 -0.244 0.000 0.755 61 A CB 0.568 19.403 19.000 -0.275 0.000 0.980 61 A HN 1.242 nan 8.150 nan 0.000 0.506 62 V N 3.585 123.157 119.914 -0.569 0.000 2.398 62 V HA 0.364 4.484 4.120 -0.000 0.000 0.286 62 V C -0.990 174.717 176.094 -0.644 0.000 1.026 62 V CA -0.216 61.750 62.300 -0.558 0.000 0.868 62 V CB 0.630 32.070 31.823 -0.639 0.000 0.982 62 V HN 0.708 nan 8.190 nan 0.000 0.443 63 Y N 3.169 123.368 120.300 -0.168 0.000 2.328 63 Y HA 0.631 5.181 4.550 -0.000 0.000 0.336 63 Y C -0.026 175.804 175.900 -0.117 0.000 0.960 63 Y CA -0.884 57.143 58.100 -0.121 0.000 1.134 63 Y CB 2.018 40.428 38.460 -0.084 0.000 1.166 63 Y HN 0.359 nan 8.280 nan 0.000 0.464 64 V N 2.907 122.831 119.914 0.017 0.000 2.384 64 V HA 0.617 4.737 4.120 -0.000 0.000 0.287 64 V C 0.317 176.454 176.094 0.072 0.000 1.020 64 V CA -0.909 61.367 62.300 -0.040 0.000 0.850 64 V CB 1.634 33.296 31.823 -0.268 0.000 0.987 64 V HN 0.956 nan 8.190 nan 0.000 0.436 65 G N 3.463 112.317 108.800 0.090 0.000 2.356 65 G HA2 0.676 4.635 3.960 -0.000 0.000 0.312 65 G HA3 0.676 4.635 3.960 -0.000 0.000 0.312 65 G C -0.216 174.784 174.900 0.167 0.000 1.096 65 G CA 0.201 45.377 45.100 0.127 0.000 0.950 65 G HN 1.076 nan 8.290 nan 0.000 0.428 66 A N 2.825 125.759 122.820 0.191 0.000 2.479 66 A HA 0.748 5.067 4.320 -0.000 0.000 0.296 66 A C 0.048 177.726 177.584 0.156 0.000 1.121 66 A CA -0.891 51.336 52.037 0.317 0.000 0.743 66 A CB 1.030 20.443 19.000 0.688 0.000 1.323 66 A HN 0.668 nan 8.150 nan 0.000 0.415 67 I N 2.156 122.814 120.570 0.147 0.000 2.741 67 I HA -0.093 4.077 4.170 -0.000 0.000 0.288 67 I C 0.299 176.265 176.117 -0.253 0.000 1.192 67 I CA 0.656 61.933 61.300 -0.038 0.000 1.426 67 I CB -0.150 37.841 38.000 -0.016 0.000 1.367 67 I HN 0.776 nan 8.210 nan 0.000 0.563 68 N N 3.924 122.407 118.700 -0.362 0.000 2.900 68 N HA -0.193 4.547 4.740 -0.000 0.000 0.240 68 N C -0.313 174.959 175.510 -0.397 0.000 0.953 68 N CA 1.164 53.886 53.050 -0.546 0.000 0.950 68 N CB -0.554 37.203 38.487 -1.217 0.000 1.102 68 N HN 0.554 nan 8.380 nan 0.000 0.593 69 R N -0.271 120.083 120.500 -0.243 0.000 2.651 69 R HA 0.602 4.942 4.340 -0.000 0.000 0.278 69 R C -0.869 175.263 176.300 -0.280 0.000 1.010 69 R CA -0.611 55.297 56.100 -0.320 0.000 0.896 69 R CB 2.009 31.989 30.300 -0.533 0.000 1.211 69 R HN -0.098 nan 8.270 nan 0.000 0.456 70 V N 3.736 123.493 119.914 -0.261 0.000 2.409 70 V HA 0.449 4.569 4.120 -0.000 0.000 0.291 70 V C -1.073 174.903 176.094 -0.197 0.000 1.020 70 V CA -0.763 61.452 62.300 -0.141 0.000 0.848 70 V CB 1.244 33.054 31.823 -0.022 0.000 0.990 70 V HN 0.536 nan 8.190 nan 0.000 0.430 71 Y N 3.052 123.374 120.300 0.036 0.000 2.360 71 Y HA 0.545 5.095 4.550 -0.000 0.000 0.337 71 Y C 0.277 176.120 175.900 -0.095 0.000 1.039 71 Y CA -0.746 57.326 58.100 -0.046 0.000 1.109 71 Y CB 1.602 39.947 38.460 -0.191 0.000 1.201 71 Y HN 0.476 nan 8.280 nan 0.000 0.458 72 K N 4.206 124.628 120.400 0.036 0.000 2.235 72 K HA 0.699 5.019 4.320 -0.000 0.000 0.266 72 K C -1.840 174.591 176.600 -0.282 0.000 0.980 72 K CA -0.350 55.816 56.287 -0.201 0.000 0.849 72 K CB 0.591 33.048 32.500 -0.072 0.000 1.098 72 K HN 0.736 nan 8.250 nan 0.000 0.445 73 L N 2.368 123.330 121.223 -0.434 0.000 2.333 73 L HA 0.436 4.775 4.340 -0.000 0.000 0.263 73 L C 0.402 177.075 176.870 -0.329 0.000 1.014 73 L CA -0.941 53.669 54.840 -0.384 0.000 0.820 73 L CB 2.129 43.891 42.059 -0.495 0.000 1.352 73 L HN 0.791 nan 8.230 nan 0.000 0.421 74 T N -2.013 112.407 114.554 -0.223 0.000 2.726 74 T HA 0.194 4.544 4.350 -0.000 0.000 0.294 74 T C 1.350 175.961 174.700 -0.148 0.000 1.013 74 T CA -0.027 61.977 62.100 -0.159 0.000 0.996 74 T CB 0.953 69.763 68.868 -0.096 0.000 1.016 74 T HN 0.716 nan 8.240 nan 0.000 0.529 75 G N 1.398 110.147 108.800 -0.086 0.000 2.469 75 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.219 75 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.219 75 G C 1.229 176.126 174.900 -0.004 0.000 1.150 75 G CA 0.987 46.075 45.100 -0.019 0.000 0.763 75 G HN 0.938 nan 8.290 nan 0.000 0.561 76 N N 0.202 118.872 118.700 -0.051 0.000 2.313 76 N HA 0.186 4.926 4.740 -0.000 0.000 0.207 76 N C 0.698 176.195 175.510 -0.022 0.000 1.141 76 N CA -0.278 52.738 53.050 -0.057 0.000 0.830 76 N CB -0.272 38.180 38.487 -0.058 0.000 1.008 76 N HN 0.382 nan 8.380 nan 0.000 0.481 77 L N -1.262 119.932 121.223 -0.048 0.000 3.754 77 L HA -0.177 4.163 4.340 -0.000 0.000 0.410 77 L C -0.983 175.851 176.870 -0.060 0.000 1.230 77 L CA 0.387 55.178 54.840 -0.081 0.000 0.901 77 L CB -2.700 39.374 42.059 0.025 0.000 1.982 77 L HN 0.169 nan 8.230 nan 0.000 0.822 78 T N 1.062 115.573 114.554 -0.073 0.000 2.743 78 T HA 0.462 4.812 4.350 -0.000 0.000 0.293 78 T C 0.446 175.087 174.700 -0.098 0.000 0.945 78 T CA -0.289 61.790 62.100 -0.035 0.000 1.030 78 T CB 1.899 70.757 68.868 -0.017 0.000 0.912 78 T HN 0.261 nan 8.240 nan 0.000 0.483 79 I N 3.672 124.201 120.570 -0.070 0.000 2.618 79 I HA 0.013 4.183 4.170 -0.000 0.000 0.284 79 I C 1.048 177.151 176.117 -0.024 0.000 1.146 79 I CA 0.397 61.636 61.300 -0.101 0.000 1.425 79 I CB 0.679 38.696 38.000 0.028 0.000 1.383 79 I HN 0.761 nan 8.210 nan 0.000 0.562 80 Q N 4.727 124.503 119.800 -0.040 0.000 2.511 80 Q HA 0.269 4.609 4.340 -0.000 0.000 0.236 80 Q C -0.759 175.264 176.000 0.037 0.000 0.893 80 Q CA 0.327 56.126 55.803 -0.008 0.000 0.947 80 Q CB 1.161 29.874 28.738 -0.042 0.000 1.110 80 Q HN 0.539 nan 8.270 nan 0.000 0.591 81 V N 0.608 120.553 119.914 0.053 0.000 2.638 81 V HA 0.622 4.741 4.120 -0.000 0.000 0.306 81 V C -1.279 174.901 176.094 0.143 0.000 1.052 81 V CA -0.829 61.529 62.300 0.097 0.000 0.885 81 V CB 1.733 33.616 31.823 0.099 0.000 0.999 81 V HN 0.160 nan 8.190 nan 0.000 0.424 82 A N 3.231 126.142 122.820 0.151 0.000 2.394 82 A HA 0.492 4.812 4.320 -0.000 0.000 0.333 82 A C -0.321 177.287 177.584 0.040 0.000 1.397 82 A CA -0.411 51.693 52.037 0.113 0.000 0.884 82 A CB -0.029 19.108 19.000 0.228 0.000 1.147 82 A HN 0.924 nan 8.150 nan 0.000 0.505 83 H N 2.808 121.824 119.070 -0.090 0.000 2.690 83 H HA 0.206 4.762 4.556 -0.000 0.000 0.314 83 H C -0.158 175.094 175.328 -0.126 0.000 1.069 83 H CA 0.344 56.346 56.048 -0.077 0.000 1.436 83 H CB 0.741 30.462 29.762 -0.067 0.000 1.462 83 H HN 0.685 nan 8.280 nan 0.000 0.511 84 K N 3.040 123.148 120.400 -0.488 0.000 2.205 84 K HA 0.082 4.402 4.320 -0.000 0.000 0.279 84 K C 0.400 176.784 176.600 -0.361 0.000 1.027 84 K CA -0.096 55.989 56.287 -0.338 0.000 0.932 84 K CB 0.738 33.105 32.500 -0.223 0.000 1.032 84 K HN 0.745 nan 8.250 nan 0.000 0.466 85 T N -0.303 114.118 114.554 -0.223 0.000 3.087 85 T HA 0.372 4.722 4.350 -0.000 0.000 0.283 85 T C 0.450 175.050 174.700 -0.167 0.000 0.956 85 T CA 0.084 62.102 62.100 -0.137 0.000 0.894 85 T CB 0.594 69.421 68.868 -0.070 0.000 1.160 85 T HN 0.689 nan 8.240 nan 0.000 0.532 86 G N 1.685 110.347 108.800 -0.231 0.000 2.341 86 G HA2 0.555 4.515 3.960 -0.000 0.000 0.299 86 G HA3 0.555 4.515 3.960 -0.000 0.000 0.299 86 G C -3.380 171.346 174.900 -0.290 0.000 1.274 86 G CA -0.800 44.157 45.100 -0.238 0.000 0.853 86 G HN 0.084 nan 8.290 nan 0.000 0.493 87 P HA 0.514 nan 4.420 nan 0.000 0.276 87 P C -1.111 176.129 177.300 -0.100 0.000 1.261 87 P CA -0.029 62.968 63.100 -0.172 0.000 0.800 87 P CB 1.649 33.288 31.700 -0.102 0.000 1.066 88 E N -0.189 119.946 120.200 -0.108 0.000 2.383 88 E HA 0.211 4.561 4.350 -0.000 0.000 0.275 88 E C -0.483 176.090 176.600 -0.044 0.000 0.918 88 E CA -0.721 55.646 56.400 -0.054 0.000 0.764 88 E CB 1.556 31.227 29.700 -0.047 0.000 1.252 88 E HN 0.409 nan 8.360 nan 0.000 0.449 89 E N 1.526 121.739 120.200 0.022 0.000 2.415 89 E HA 0.165 4.515 4.350 -0.000 0.000 0.263 89 E C -0.480 176.155 176.600 0.058 0.000 0.995 89 E CA 0.855 57.277 56.400 0.037 0.000 0.915 89 E CB 0.648 30.382 29.700 0.056 0.000 0.951 89 E HN 0.356 nan 8.360 nan 0.000 0.449 90 D N 1.316 121.737 120.400 0.035 0.000 2.692 90 D HA 0.309 4.949 4.640 -0.000 0.000 0.290 90 D C -1.621 174.710 176.300 0.051 0.000 1.281 90 D CA -0.579 53.454 54.000 0.055 0.000 0.804 90 D CB 1.293 42.071 40.800 -0.037 0.000 1.331 90 D HN 0.269 nan 8.370 nan 0.000 0.432 91 N N 0.677 119.419 118.700 0.070 0.000 2.406 91 N HA 0.195 4.935 4.740 -0.000 0.000 0.283 91 N C -0.349 175.217 175.510 0.093 0.000 1.074 91 N CA -0.343 52.748 53.050 0.069 0.000 0.916 91 N CB 1.893 40.420 38.487 0.067 0.000 1.639 91 N HN 0.378 nan 8.380 nan 0.000 0.485 92 K N 1.310 121.766 120.400 0.093 0.000 2.283 92 K HA 0.048 4.368 4.320 -0.000 0.000 0.202 92 K C 1.424 178.120 176.600 0.158 0.000 1.048 92 K CA 1.144 57.508 56.287 0.127 0.000 0.948 92 K CB 0.114 32.682 32.500 0.113 0.000 0.742 92 K HN 0.588 nan 8.250 nan 0.000 0.458 93 A N 0.578 123.475 122.820 0.128 0.000 2.172 93 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 93 A C 0.878 178.555 177.584 0.155 0.000 1.154 93 A CA 0.502 52.620 52.037 0.135 0.000 0.701 93 A CB -0.379 18.678 19.000 0.095 0.000 0.789 93 A HN 0.298 nan 8.150 nan 0.000 0.465 94 c N 0.453 119.137 118.600 0.141 0.000 2.459 94 c HA 0.452 5.022 4.570 -0.000 0.000 0.358 94 c C -0.359 173.811 174.090 0.132 0.000 1.162 94 c CA -0.142 56.253 56.329 0.110 0.000 1.559 94 c CB -2.483 40.076 42.510 0.082 0.000 2.132 94 c HN 0.451 nan 8.230 nan 0.000 0.536 95 Y N 4.105 124.387 120.300 -0.030 0.000 2.396 95 Y HA 0.501 5.051 4.550 -0.000 0.000 0.332 95 Y C -2.361 173.419 175.900 -0.200 0.000 1.034 95 Y CA -2.019 55.989 58.100 -0.154 0.000 1.057 95 Y CB 1.108 39.449 38.460 -0.197 0.000 1.220 95 Y HN 0.511 nan 8.280 nan 0.000 0.440 96 P HA 0.180 nan 4.420 nan 0.000 0.271 96 P C -2.662 174.310 177.300 -0.547 0.000 1.238 96 P CA -0.744 61.714 63.100 -1.070 0.000 0.794 96 P CB -0.001 31.242 31.700 -0.761 0.000 0.959 97 P HA 0.061 nan 4.420 nan 0.000 0.271 97 P C 0.884 178.048 177.300 -0.225 0.000 1.244 97 P CA -0.021 62.902 63.100 -0.295 0.000 0.793 97 P CB 0.319 31.790 31.700 -0.383 0.000 0.984 98 L N 0.518 121.664 121.223 -0.127 0.000 2.191 98 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 98 L C 1.953 178.680 176.870 -0.239 0.000 1.103 98 L CA 1.340 56.096 54.840 -0.140 0.000 0.769 98 L CB -0.770 41.265 42.059 -0.040 0.000 0.908 98 L HN 0.416 nan 8.230 nan 0.000 0.438 99 I N -4.484 115.865 120.570 -0.369 0.000 3.428 99 I HA -0.048 4.122 4.170 -0.000 0.000 0.286 99 I C 1.699 177.723 176.117 -0.155 0.000 1.287 99 I CA 0.325 61.449 61.300 -0.293 0.000 1.396 99 I CB -0.125 37.664 38.000 -0.352 0.000 1.062 99 I HN -0.056 nan 8.210 nan 0.000 0.471 100 V N -0.127 119.681 119.914 -0.176 0.000 3.151 100 V HA 0.210 4.330 4.120 -0.000 0.000 0.241 100 V C 0.748 176.762 176.094 -0.134 0.000 1.173 100 V CA 0.463 62.679 62.300 -0.139 0.000 1.154 100 V CB 0.264 31.963 31.823 -0.207 0.000 0.898 100 V HN 0.395 nan 8.190 nan 0.000 0.473 101 Q N -0.301 119.408 119.800 -0.153 0.000 2.379 101 Q HA 0.409 4.749 4.340 -0.000 0.000 0.278 101 Q C -2.847 173.099 176.000 -0.090 0.000 1.068 101 Q CA -1.857 53.876 55.803 -0.117 0.000 0.816 101 Q CB 3.283 31.939 28.738 -0.136 0.000 1.387 101 Q HN 0.138 nan 8.270 nan 0.000 0.413 102 P HA 0.087 nan 4.420 nan 0.000 0.271 102 P C -1.046 176.235 177.300 -0.031 0.000 1.218 102 P CA -0.287 62.789 63.100 -0.040 0.000 0.780 102 P CB 0.605 32.288 31.700 -0.029 0.000 0.901 103 c N 1.815 120.408 118.600 -0.013 0.000 2.456 103 c HA 0.391 4.961 4.570 -0.000 0.000 0.325 103 c C 1.716 175.812 174.090 0.011 0.000 1.217 103 c CA -0.019 56.311 56.329 0.002 0.000 1.687 103 c CB 0.607 43.127 42.510 0.017 0.000 2.270 103 c HN 0.621 nan 8.230 nan 0.000 0.499 104 S N 1.714 117.424 115.700 0.016 0.000 2.503 104 S HA 0.061 4.531 4.470 -0.000 0.000 0.217 104 S C 0.457 175.071 174.600 0.024 0.000 0.999 104 S CA 0.161 58.371 58.200 0.018 0.000 0.914 104 S CB -0.111 63.098 63.200 0.016 0.000 0.782 104 S HN 0.806 nan 8.310 nan 0.000 0.520 105 E N 1.771 121.990 120.200 0.031 0.000 2.415 105 E HA 0.075 4.425 4.350 -0.000 0.000 0.262 105 E C -0.013 176.608 176.600 0.034 0.000 1.038 105 E CA -0.064 56.358 56.400 0.037 0.000 0.921 105 E CB 0.642 30.370 29.700 0.048 0.000 0.950 105 E HN 0.090 nan 8.360 nan 0.000 0.438 106 V N 3.970 123.904 119.914 0.033 0.000 2.572 106 V HA 0.075 4.194 4.120 -0.000 0.000 0.291 106 V C -0.056 176.060 176.094 0.036 0.000 1.039 106 V CA -0.126 62.193 62.300 0.031 0.000 1.055 106 V CB -0.000 31.839 31.823 0.028 0.000 0.969 106 V HN 0.406 nan 8.190 nan 0.000 0.482 107 L N 6.216 127.461 121.223 0.036 0.000 2.343 107 L HA 0.569 4.909 4.340 -0.000 0.000 0.275 107 L C 0.224 177.114 176.870 0.034 0.000 1.056 107 L CA -0.350 54.514 54.840 0.040 0.000 0.804 107 L CB 1.714 43.800 42.059 0.045 0.000 1.203 107 L HN 0.598 nan 8.230 nan 0.000 0.440 108 T N 2.526 117.099 114.554 0.032 0.000 2.876 108 T HA 0.320 4.670 4.350 -0.000 0.000 0.289 108 T C -0.501 174.211 174.700 0.020 0.000 1.014 108 T CA -0.566 61.550 62.100 0.027 0.000 0.986 108 T CB 1.884 70.768 68.868 0.026 0.000 1.021 108 T HN 0.272 nan 8.240 nan 0.000 0.458 109 L N 3.892 125.128 121.223 0.021 0.000 2.660 109 L HA 0.241 4.581 4.340 -0.000 0.000 0.272 109 L C -0.034 176.837 176.870 0.002 0.000 1.194 109 L CA 1.105 55.954 54.840 0.015 0.000 0.945 109 L CB -0.469 41.608 42.059 0.030 0.000 1.212 109 L HN 0.657 nan 8.230 nan 0.000 0.490 110 T N 4.932 119.468 114.554 -0.030 0.000 2.841 110 T HA 0.391 4.741 4.350 -0.000 0.000 0.283 110 T C -0.181 174.465 174.700 -0.090 0.000 1.000 110 T CA -0.766 61.304 62.100 -0.050 0.000 0.977 110 T CB 0.911 69.738 68.868 -0.068 0.000 0.979 110 T HN 0.494 nan 8.240 nan 0.000 0.446 111 N N 3.148 121.802 118.700 -0.076 0.000 2.513 111 N HA 0.115 4.855 4.740 -0.000 0.000 0.268 111 N C -0.202 175.224 175.510 -0.141 0.000 1.180 111 N CA -0.189 52.785 53.050 -0.127 0.000 0.948 111 N CB 0.482 38.921 38.487 -0.081 0.000 1.083 111 N HN 0.469 nan 8.380 nan 0.000 0.455 112 N N 2.124 120.708 118.700 -0.193 0.000 2.500 112 N HA 0.119 4.859 4.740 -0.000 0.000 0.236 112 N C -1.093 174.350 175.510 -0.112 0.000 1.022 112 N CA -0.304 52.649 53.050 -0.161 0.000 0.935 112 N CB 0.367 38.742 38.487 -0.186 0.000 1.147 112 N HN 0.118 nan 8.380 nan 0.000 0.512 113 V N 3.829 123.708 119.914 -0.058 0.000 2.555 113 V HA 0.081 4.200 4.120 -0.000 0.000 0.286 113 V C 1.045 177.150 176.094 0.019 0.000 1.044 113 V CA -0.675 61.619 62.300 -0.010 0.000 1.026 113 V CB 0.540 32.371 31.823 0.014 0.000 0.981 113 V HN 0.637 nan 8.190 nan 0.000 0.480 114 N N 4.670 123.402 118.700 0.054 0.000 2.452 114 N HA 0.082 4.822 4.740 -0.000 0.000 0.266 114 N C 0.536 176.165 175.510 0.199 0.000 1.175 114 N CA -0.318 52.797 53.050 0.109 0.000 0.945 114 N CB 0.604 39.181 38.487 0.149 0.000 1.063 114 N HN 0.545 nan 8.380 nan 0.000 0.472 115 K N 2.897 123.392 120.400 0.157 0.000 2.370 115 K HA 0.215 4.534 4.320 -0.000 0.000 0.194 115 K C -0.074 176.569 176.600 0.072 0.000 1.070 115 K CA 0.045 56.443 56.287 0.184 0.000 0.998 115 K CB 0.522 33.067 32.500 0.076 0.000 0.911 115 K HN 0.564 nan 8.250 nan 0.000 0.533 116 L N 0.462 121.641 121.223 -0.073 0.000 2.549 116 L HA 0.434 4.774 4.340 -0.000 0.000 0.259 116 L C -2.160 174.564 176.870 -0.243 0.000 0.934 116 L CA -0.837 53.830 54.840 -0.290 0.000 0.865 116 L CB 1.909 43.850 42.059 -0.196 0.000 1.352 116 L HN -0.127 nan 8.230 nan 0.000 0.410 117 L N 5.975 126.996 121.223 -0.337 0.000 2.555 117 L HA 0.695 5.035 4.340 -0.000 0.000 0.264 117 L C -1.726 175.017 176.870 -0.213 0.000 0.972 117 L CA 0.143 54.861 54.840 -0.203 0.000 0.876 117 L CB 1.488 43.496 42.059 -0.085 0.000 1.216 117 L HN 0.491 nan 8.230 nan 0.000 0.415 118 I N 5.444 125.892 120.570 -0.204 0.000 2.569 118 I HA 0.422 4.592 4.170 -0.000 0.000 0.290 118 I C -0.531 175.444 176.117 -0.236 0.000 1.088 118 I CA -0.652 60.535 61.300 -0.188 0.000 1.047 118 I CB 2.328 40.232 38.000 -0.160 0.000 1.237 118 I HN 0.416 nan 8.210 nan 0.000 0.421 119 I N 4.424 124.823 120.570 -0.285 0.000 2.416 119 I HA 0.093 4.263 4.170 -0.000 0.000 0.288 119 I C -0.085 175.785 176.117 -0.411 0.000 1.051 119 I CA 0.103 61.114 61.300 -0.481 0.000 1.375 119 I CB 0.631 38.134 38.000 -0.829 0.000 1.407 119 I HN 0.516 nan 8.210 nan 0.000 0.516 120 D N 6.325 126.530 120.400 -0.326 0.000 2.479 120 D HA 0.117 4.757 4.640 -0.000 0.000 0.218 120 D C 0.601 176.818 176.300 -0.138 0.000 1.131 120 D CA -0.186 53.715 54.000 -0.164 0.000 0.916 120 D CB 0.412 41.145 40.800 -0.112 0.000 1.022 120 D HN 0.333 nan 8.370 nan 0.000 0.515 121 Y N 1.374 121.646 120.300 -0.047 0.000 2.145 121 Y HA -0.217 4.332 4.550 -0.000 0.000 0.286 121 Y C 2.609 178.518 175.900 0.014 0.000 1.145 121 Y CA 1.139 59.222 58.100 -0.029 0.000 1.148 121 Y CB -0.058 38.366 38.460 -0.061 0.000 0.981 121 Y HN 0.327 nan 8.280 nan 0.000 0.507 122 S N -0.186 115.610 115.700 0.161 0.000 2.374 122 S HA -0.185 4.285 4.470 -0.000 0.000 0.227 122 S C 1.248 175.889 174.600 0.069 0.000 1.037 122 S CA 1.650 59.910 58.200 0.100 0.000 1.024 122 S CB -0.217 63.024 63.200 0.068 0.000 0.861 122 S HN 0.430 nan 8.310 nan 0.000 0.456 123 E N 0.878 121.103 120.200 0.040 0.000 2.499 123 E HA 0.204 4.554 4.350 -0.000 0.000 0.199 123 E C -0.439 176.165 176.600 0.007 0.000 1.016 123 E CA -0.259 56.151 56.400 0.016 0.000 0.933 123 E CB -0.410 29.286 29.700 -0.007 0.000 1.050 123 E HN 0.302 nan 8.360 nan 0.000 0.462 124 N N 2.283 121.000 118.700 0.029 0.000 2.699 124 N HA -0.240 4.500 4.740 -0.000 0.000 0.256 124 N C -0.199 175.290 175.510 -0.034 0.000 0.993 124 N CA 1.139 54.206 53.050 0.029 0.000 0.759 124 N CB -1.086 37.428 38.487 0.044 0.000 0.906 124 N HN 0.516 nan 8.380 nan 0.000 0.541 125 R N -1.856 118.586 120.500 -0.097 0.000 2.795 125 R HA 0.758 5.098 4.340 -0.000 0.000 0.268 125 R C -1.419 174.739 176.300 -0.236 0.000 1.041 125 R CA -1.128 54.887 56.100 -0.143 0.000 0.927 125 R CB 1.224 31.458 30.300 -0.110 0.000 1.235 125 R HN 0.007 nan 8.270 nan 0.000 0.463 126 L N 1.229 122.294 121.223 -0.263 0.000 2.408 126 L HA 0.504 4.844 4.340 -0.000 0.000 0.268 126 L C -1.683 175.037 176.870 -0.251 0.000 0.986 126 L CA -0.986 53.661 54.840 -0.321 0.000 0.820 126 L CB 2.064 43.854 42.059 -0.447 0.000 1.303 126 L HN 0.700 nan 8.230 nan 0.000 0.411 127 L N 5.122 126.211 121.223 -0.224 0.000 2.272 127 L HA 0.886 5.226 4.340 -0.000 0.000 0.289 127 L C -0.664 176.099 176.870 -0.178 0.000 1.032 127 L CA -0.005 54.723 54.840 -0.187 0.000 0.810 127 L CB 1.074 43.037 42.059 -0.159 0.000 1.205 127 L HN 0.771 nan 8.230 nan 0.000 0.422 128 A N 4.758 127.481 122.820 -0.163 0.000 2.343 128 A HA 0.739 5.059 4.320 -0.000 0.000 0.308 128 A C -1.143 176.380 177.584 -0.101 0.000 1.092 128 A CA -0.483 51.478 52.037 -0.128 0.000 0.751 128 A CB 0.964 19.889 19.000 -0.125 0.000 1.203 128 A HN 0.736 nan 8.150 nan 0.000 0.452 129 c N 2.106 120.658 118.600 -0.079 0.000 2.396 129 c HA 0.819 5.389 4.570 -0.000 0.000 0.321 129 c C 1.087 175.162 174.090 -0.025 0.000 1.233 129 c CA -0.374 55.919 56.329 -0.059 0.000 1.440 129 c CB 0.933 43.400 42.510 -0.072 0.000 2.110 129 c HN 1.127 nan 8.230 nan 0.000 0.473 130 G N 1.336 110.127 108.800 -0.015 0.000 2.568 130 G HA2 0.493 4.453 3.960 -0.000 0.000 0.293 130 G HA3 0.493 4.453 3.960 -0.000 0.000 0.293 130 G C 0.764 175.661 174.900 -0.005 0.000 1.347 130 G CA 0.183 45.276 45.100 -0.011 0.000 1.039 130 G HN 0.827 nan 8.290 nan 0.000 0.523 131 S N -1.359 114.331 115.700 -0.017 0.000 2.524 131 S HA 0.163 4.632 4.470 -0.000 0.000 0.216 131 S C 0.833 175.417 174.600 -0.027 0.000 0.987 131 S CA -0.241 57.952 58.200 -0.011 0.000 0.909 131 S CB -0.083 63.114 63.200 -0.005 0.000 0.781 131 S HN 0.281 nan 8.310 nan 0.000 0.521 132 L N 2.805 123.975 121.223 -0.088 0.000 2.456 132 L HA 0.254 4.594 4.340 -0.000 0.000 0.272 132 L C -0.549 176.267 176.870 -0.091 0.000 1.189 132 L CA 0.188 54.885 54.840 -0.238 0.000 0.846 132 L CB -1.000 40.806 42.059 -0.422 0.000 1.111 132 L HN 0.407 nan 8.230 nan 0.000 0.475 133 Y N 4.968 125.312 120.300 0.072 0.000 3.078 133 Y HA -0.251 4.299 4.550 -0.000 0.000 0.202 133 Y C 0.991 176.984 175.900 0.154 0.000 1.322 133 Y CA 0.733 58.884 58.100 0.086 0.000 1.118 133 Y CB -2.407 36.121 38.460 0.112 0.000 1.343 133 Y HN 0.757 nan 8.280 nan 0.000 0.499 134 Q N -2.364 117.598 119.800 0.271 0.000 2.481 134 Q HA -0.229 4.111 4.340 -0.000 0.000 0.258 134 Q C 1.077 177.255 176.000 0.297 0.000 0.961 134 Q CA 2.126 58.130 55.803 0.336 0.000 1.121 134 Q CB -1.812 27.183 28.738 0.428 0.000 1.503 134 Q HN 1.937 nan 8.270 nan 0.000 0.544 135 G N -0.915 108.010 108.800 0.208 0.000 2.303 135 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.260 135 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.260 135 G C 0.043 175.018 174.900 0.124 0.000 1.106 135 G CA 0.215 45.375 45.100 0.100 0.000 0.900 135 G HN 0.596 nan 8.290 nan 0.000 0.495 136 V N -0.719 119.311 119.914 0.193 0.000 3.185 136 V HA 0.577 4.697 4.120 -0.000 0.000 0.305 136 V C 1.036 177.102 176.094 -0.047 0.000 1.090 136 V CA 0.362 62.670 62.300 0.013 0.000 1.107 136 V CB 1.062 32.940 31.823 0.092 0.000 1.061 136 V HN 0.702 nan 8.190 nan 0.000 0.480 137 c N 4.461 122.980 118.600 -0.136 0.000 2.595 137 c HA 0.695 5.265 4.570 -0.000 0.000 0.338 137 c C -0.277 173.727 174.090 -0.144 0.000 1.219 137 c CA -1.060 55.190 56.329 -0.130 0.000 1.811 137 c CB 1.560 43.977 42.510 -0.155 0.000 2.313 137 c HN 0.928 nan 8.230 nan 0.000 0.499 138 K N 0.926 121.243 120.400 -0.138 0.000 2.375 138 K HA 0.713 5.033 4.320 -0.000 0.000 0.249 138 K C -1.604 174.886 176.600 -0.184 0.000 0.942 138 K CA -0.445 55.748 56.287 -0.157 0.000 0.806 138 K CB 1.762 34.177 32.500 -0.140 0.000 1.227 138 K HN 0.469 nan 8.250 nan 0.000 0.430 139 L N 3.752 124.858 121.223 -0.195 0.000 2.296 139 L HA 0.486 4.826 4.340 -0.000 0.000 0.286 139 L C -0.912 175.823 176.870 -0.224 0.000 1.023 139 L CA -0.836 53.887 54.840 -0.194 0.000 0.812 139 L CB 0.851 42.812 42.059 -0.163 0.000 1.223 139 L HN 0.371 nan 8.230 nan 0.000 0.421 140 L N 3.716 124.796 121.223 -0.237 0.000 2.346 140 L HA 0.559 4.899 4.340 -0.000 0.000 0.274 140 L C 0.152 176.924 176.870 -0.163 0.000 1.007 140 L CA -0.743 53.948 54.840 -0.248 0.000 0.818 140 L CB 1.951 43.809 42.059 -0.335 0.000 1.284 140 L HN 0.553 nan 8.230 nan 0.000 0.424 141 R N 1.359 121.816 120.500 -0.073 0.000 2.491 141 R HA 0.180 4.520 4.340 -0.000 0.000 0.283 141 R C 0.949 177.233 176.300 -0.027 0.000 1.072 141 R CA -0.126 55.968 56.100 -0.010 0.000 1.048 141 R CB 0.719 31.080 30.300 0.101 0.000 0.983 141 R HN 0.700 nan 8.270 nan 0.000 0.450 142 L N 2.706 123.907 121.223 -0.038 0.000 2.083 142 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 142 L C 1.909 178.841 176.870 0.104 0.000 1.083 142 L CA 1.435 56.264 54.840 -0.018 0.000 0.752 142 L CB -0.401 41.651 42.059 -0.012 0.000 0.899 142 L HN 0.759 nan 8.230 nan 0.000 0.433 143 D N -0.479 119.959 120.400 0.063 0.000 2.149 143 D HA -0.195 4.445 4.640 -0.000 0.000 0.201 143 D C 1.124 177.466 176.300 0.070 0.000 0.972 143 D CA 1.551 55.586 54.000 0.058 0.000 0.835 143 D CB -0.309 40.506 40.800 0.025 0.000 0.966 143 D HN 0.531 nan 8.370 nan 0.000 0.476 144 D N -0.769 119.680 120.400 0.082 0.000 2.520 144 D HA 0.077 4.717 4.640 -0.000 0.000 0.223 144 D C 1.105 177.482 176.300 0.128 0.000 1.186 144 D CA -0.443 53.615 54.000 0.098 0.000 0.821 144 D CB -0.446 40.405 40.800 0.086 0.000 1.072 144 D HN 0.184 nan 8.370 nan 0.000 0.518 145 L N 0.064 121.342 121.223 0.092 0.000 4.001 145 L HA -0.243 4.097 4.340 -0.000 0.000 0.413 145 L C -0.293 176.593 176.870 0.027 0.000 1.185 145 L CA -0.019 54.822 54.840 0.002 0.000 0.963 145 L CB -1.823 40.240 42.059 0.007 0.000 1.976 145 L HN 0.218 nan 8.230 nan 0.000 0.939 146 F N 1.940 121.875 119.950 -0.025 0.000 2.484 146 F HA 0.362 4.889 4.527 -0.000 0.000 0.360 146 F C 0.987 176.760 175.800 -0.045 0.000 1.101 146 F CA -0.447 57.555 58.000 0.003 0.000 1.251 146 F CB 0.445 39.449 39.000 0.006 0.000 1.132 146 F HN -0.042 nan 8.300 nan 0.000 0.570 147 I N 8.392 128.461 120.570 -0.834 0.000 2.581 147 I HA -0.093 4.077 4.170 -0.000 0.000 0.285 147 I C 0.921 176.524 176.117 -0.858 0.000 1.129 147 I CA 0.235 61.124 61.300 -0.686 0.000 1.397 147 I CB 0.462 38.215 38.000 -0.413 0.000 1.399 147 I HN 0.798 nan 8.210 nan 0.000 0.537 148 L N 6.816 127.785 121.223 -0.423 0.000 2.202 148 L HA 0.206 4.546 4.340 -0.000 0.000 0.205 148 L C 0.540 177.300 176.870 -0.184 0.000 1.083 148 L CA 0.665 55.367 54.840 -0.229 0.000 0.790 148 L CB 0.240 42.232 42.059 -0.111 0.000 0.942 148 L HN 0.534 nan 8.230 nan 0.000 0.452 149 V N -0.836 118.960 119.914 -0.195 0.000 3.174 149 V HA 0.274 4.394 4.120 -0.000 0.000 0.280 149 V C -1.906 174.086 176.094 -0.171 0.000 1.554 149 V CA -0.661 61.545 62.300 -0.157 0.000 1.016 149 V CB 2.276 34.022 31.823 -0.127 0.000 1.197 149 V HN 0.238 nan 8.190 nan 0.000 0.453 150 E N 4.849 124.954 120.200 -0.158 0.000 2.923 150 E HA 0.495 4.845 4.350 -0.000 0.000 0.266 150 E C -2.790 173.680 176.600 -0.218 0.000 1.157 150 E CA -1.703 54.594 56.400 -0.171 0.000 0.795 150 E CB 1.701 31.331 29.700 -0.117 0.000 1.454 150 E HN 0.568 nan 8.360 nan 0.000 0.386 151 P HA -0.027 nan 4.420 nan 0.000 0.261 151 P C -0.291 176.649 177.300 -0.600 0.000 1.183 151 P CA 0.503 63.216 63.100 -0.645 0.000 0.761 151 P CB 0.701 31.777 31.700 -1.038 0.000 0.785 152 S N 0.532 116.043 115.700 -0.316 0.000 2.857 152 S HA 0.017 4.487 4.470 -0.000 0.000 0.238 152 S C 0.891 175.576 174.600 0.142 0.000 0.875 152 S CA -0.449 57.657 58.200 -0.157 0.000 1.368 152 S CB -0.844 62.332 63.200 -0.039 0.000 1.238 152 S HN 0.611 nan 8.310 nan 0.000 0.635 153 H N 0.882 120.097 119.070 0.243 0.000 2.553 153 H HA 0.454 5.009 4.556 -0.000 0.000 0.276 153 H C 0.153 175.499 175.328 0.030 0.000 0.979 153 H CA -0.206 55.916 56.048 0.124 0.000 1.268 153 H CB 0.027 29.829 29.762 0.067 0.000 1.450 153 H HN 0.270 nan 8.280 nan 0.000 0.527 154 K N 1.589 121.720 120.400 -0.448 0.000 2.098 154 K HA 0.147 4.467 4.320 -0.000 0.000 0.258 154 K C 0.961 177.359 176.600 -0.336 0.000 0.973 154 K CA -0.537 55.424 56.287 -0.544 0.000 0.898 154 K CB 2.637 34.534 32.500 -1.005 0.000 1.057 154 K HN -0.012 nan 8.250 nan 0.000 0.447 155 K N 2.179 122.477 120.400 -0.171 0.000 2.034 155 K HA -0.226 4.093 4.320 -0.000 0.000 0.214 155 K C 1.618 178.213 176.600 -0.009 0.000 1.051 155 K CA 2.099 58.373 56.287 -0.022 0.000 0.931 155 K CB 0.131 32.623 32.500 -0.014 0.000 0.715 155 K HN 0.664 nan 8.250 nan 0.000 0.446 156 E N -0.138 119.903 120.200 -0.265 0.000 2.418 156 E HA -0.204 4.146 4.350 -0.000 0.000 0.197 156 E C 1.078 177.543 176.600 -0.226 0.000 1.026 156 E CA 1.185 57.383 56.400 -0.337 0.000 0.862 156 E CB -0.532 28.560 29.700 -1.013 0.000 0.799 156 E HN 0.640 nan 8.360 nan 0.000 0.518 157 H N -0.706 118.166 119.070 -0.329 0.000 2.543 157 H HA -0.044 4.512 4.556 -0.000 0.000 0.286 157 H C -0.201 174.777 175.328 -0.582 0.000 1.037 157 H CA 0.353 56.100 56.048 -0.502 0.000 1.250 157 H CB -0.052 29.305 29.762 -0.675 0.000 1.373 157 H HN 0.149 nan 8.280 nan 0.000 0.580 158 Y N 0.355 120.731 120.300 0.127 0.000 2.356 158 Y HA 0.142 4.692 4.550 -0.000 0.000 0.334 158 Y C 0.620 176.698 175.900 0.297 0.000 0.958 158 Y CA -0.568 57.666 58.100 0.223 0.000 1.196 158 Y CB 1.018 39.672 38.460 0.324 0.000 1.137 158 Y HN -0.014 nan 8.280 nan 0.000 0.485 159 L N 1.390 122.703 121.223 0.150 0.000 2.209 159 L HA 0.121 4.461 4.340 -0.000 0.000 0.207 159 L C 0.597 177.203 176.870 -0.440 0.000 1.094 159 L CA 0.693 55.521 54.840 -0.020 0.000 0.790 159 L CB 0.180 42.198 42.059 -0.069 0.000 0.932 159 L HN 0.603 nan 8.230 nan 0.000 0.447 160 S N -1.652 113.496 115.700 -0.921 0.000 2.756 160 S HA 0.037 4.507 4.470 -0.000 0.000 0.295 160 S C 0.402 174.620 174.600 -0.637 0.000 0.945 160 S CA -0.116 57.239 58.200 -1.408 0.000 0.838 160 S CB 0.541 63.398 63.200 -0.573 0.000 1.042 160 S HN 0.175 nan 8.310 nan 0.000 0.467 161 S N 2.239 117.691 115.700 -0.412 0.000 2.558 161 S HA 0.206 4.676 4.470 -0.000 0.000 0.217 161 S C 0.721 175.330 174.600 0.016 0.000 0.975 161 S CA 0.297 58.497 58.200 0.001 0.000 0.912 161 S CB -0.220 63.111 63.200 0.219 0.000 0.776 161 S HN 0.883 nan 8.310 nan 0.000 0.526 162 V N 4.875 124.781 119.914 -0.013 0.000 2.584 162 V HA -0.004 4.116 4.120 -0.000 0.000 0.303 162 V C 1.052 177.177 176.094 0.052 0.000 1.035 162 V CA 0.552 62.884 62.300 0.053 0.000 1.172 162 V CB -0.346 31.527 31.823 0.084 0.000 0.896 162 V HN 0.777 nan 8.190 nan 0.000 0.486 163 N N 3.793 122.532 118.700 0.065 0.000 2.273 163 N HA 0.101 4.840 4.740 -0.000 0.000 0.231 163 N C -0.092 175.454 175.510 0.060 0.000 1.134 163 N CA -0.238 52.842 53.050 0.051 0.000 0.856 163 N CB 0.318 38.827 38.487 0.036 0.000 1.068 163 N HN 0.634 nan 8.380 nan 0.000 0.510 164 K N 0.064 120.514 120.400 0.084 0.000 2.274 164 K HA 0.249 4.569 4.320 -0.000 0.000 0.262 164 K C -0.347 176.313 176.600 0.099 0.000 0.961 164 K CA -0.567 55.769 56.287 0.081 0.000 0.833 164 K CB 1.897 34.451 32.500 0.090 0.000 1.102 164 K HN -0.037 nan 8.250 nan 0.000 0.436 165 T N 0.296 114.893 114.554 0.072 0.000 2.802 165 T HA 0.245 4.595 4.350 -0.000 0.000 0.305 165 T C 0.999 175.772 174.700 0.121 0.000 1.053 165 T CA 1.349 63.501 62.100 0.087 0.000 1.058 165 T CB 0.264 69.130 68.868 -0.003 0.000 0.988 165 T HN 0.852 nan 8.240 nan 0.000 0.539 166 G N 1.233 110.156 108.800 0.205 0.000 2.160 166 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.244 166 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.244 166 G C 0.568 175.640 174.900 0.287 0.000 1.022 166 G CA 1.181 46.425 45.100 0.240 0.000 0.741 166 G HN 1.326 nan 8.290 nan 0.000 0.508 167 T N -3.938 110.817 114.554 0.335 0.000 3.009 167 T HA 0.599 4.949 4.350 -0.000 0.000 0.267 167 T C 0.706 175.663 174.700 0.430 0.000 0.942 167 T CA 0.822 63.173 62.100 0.419 0.000 0.883 167 T CB 0.358 69.467 68.868 0.402 0.000 1.192 167 T HN 0.856 nan 8.240 nan 0.000 0.524 168 M N 0.872 120.688 119.600 0.360 0.000 2.465 168 M HA 0.729 5.209 4.480 -0.000 0.000 0.316 168 M C -2.211 174.304 176.300 0.359 0.000 1.121 168 M CA -1.055 54.409 55.300 0.274 0.000 0.934 168 M CB 2.512 35.189 32.600 0.128 0.000 1.692 168 M HN 0.207 nan 8.290 nan 0.000 0.444 169 Y N 1.759 122.191 120.300 0.220 0.000 2.513 169 Y HA 0.724 5.274 4.550 -0.000 0.000 0.340 169 Y C -0.533 175.553 175.900 0.310 0.000 1.055 169 Y CA -0.410 57.844 58.100 0.256 0.000 1.020 169 Y CB 2.467 41.145 38.460 0.363 0.000 1.301 169 Y HN 0.805 nan 8.280 nan 0.000 0.453 170 G N 1.847 110.704 108.800 0.096 0.000 2.533 170 G HA2 0.648 4.608 3.960 -0.000 0.000 0.304 170 G HA3 0.648 4.608 3.960 -0.000 0.000 0.304 170 G C -2.160 172.858 174.900 0.197 0.000 1.263 170 G CA -0.858 44.375 45.100 0.221 0.000 0.964 170 G HN 0.504 nan 8.290 nan 0.000 0.479 171 V N 1.619 121.694 119.914 0.268 0.000 2.569 171 V HA 0.375 4.495 4.120 -0.000 0.000 0.301 171 V C -0.284 175.939 176.094 0.214 0.000 1.044 171 V CA -0.555 61.837 62.300 0.153 0.000 0.874 171 V CB 1.603 33.421 31.823 -0.008 0.000 1.002 171 V HN 0.667 nan 8.190 nan 0.000 0.424 172 I N 4.534 125.184 120.570 0.132 0.000 2.365 172 I HA 0.456 4.626 4.170 -0.000 0.000 0.291 172 I C -0.553 175.651 176.117 0.144 0.000 1.004 172 I CA -0.545 60.834 61.300 0.132 0.000 1.311 172 I CB 1.693 39.733 38.000 0.067 0.000 1.401 172 I HN 0.274 nan 8.210 nan 0.000 0.491 173 V N 7.502 127.523 119.914 0.179 0.000 2.409 173 V HA 0.435 4.555 4.120 -0.000 0.000 0.290 173 V C -0.203 175.960 176.094 0.115 0.000 1.017 173 V CA -0.598 61.795 62.300 0.155 0.000 0.841 173 V CB 1.765 33.727 31.823 0.232 0.000 1.003 173 V HN 0.693 nan 8.190 nan 0.000 0.426 174 R N 3.652 124.200 120.500 0.080 0.000 2.521 174 R HA 0.476 4.816 4.340 -0.000 0.000 0.295 174 R C 0.485 176.812 176.300 0.045 0.000 1.183 174 R CA -0.101 56.035 56.100 0.059 0.000 0.957 174 R CB 1.588 31.919 30.300 0.051 0.000 1.171 174 R HN 0.858 nan 8.270 nan 0.000 0.494 175 S N 2.240 117.963 115.700 0.038 0.000 2.587 175 S HA -0.055 4.415 4.470 -0.000 0.000 0.252 175 S C 1.178 175.792 174.600 0.023 0.000 1.282 175 S CA 0.255 58.471 58.200 0.025 0.000 0.977 175 S CB 0.410 63.620 63.200 0.017 0.000 1.015 175 S HN 0.763 nan 8.310 nan 0.000 0.557 176 E N -0.071 120.139 120.200 0.017 0.000 2.086 176 E HA 0.131 4.481 4.350 -0.000 0.000 0.190 176 E C 1.712 178.321 176.600 0.014 0.000 0.975 176 E CA 0.651 57.061 56.400 0.016 0.000 0.813 176 E CB -0.929 28.778 29.700 0.012 0.000 0.768 176 E HN 0.705 nan 8.360 nan 0.000 0.457 177 G N 0.586 109.393 108.800 0.012 0.000 3.141 177 G HA2 0.015 3.975 3.960 -0.000 0.000 0.218 177 G HA3 0.015 3.975 3.960 -0.000 0.000 0.218 177 G C 0.008 174.914 174.900 0.011 0.000 1.170 177 G CA -0.279 44.827 45.100 0.010 0.000 0.769 177 G HN 0.018 nan 8.290 nan 0.000 0.546 178 E N 0.858 121.066 120.200 0.014 0.000 2.202 178 E HA 0.165 4.515 4.350 -0.000 0.000 0.272 178 E C 0.215 176.825 176.600 0.016 0.000 0.951 178 E CA -0.684 55.725 56.400 0.015 0.000 0.813 178 E CB 1.627 31.340 29.700 0.021 0.000 1.151 178 E HN 0.231 nan 8.360 nan 0.000 0.398 179 D N 0.799 121.206 120.400 0.011 0.000 2.277 179 D HA 0.043 4.683 4.640 -0.000 0.000 0.208 179 D C 0.573 176.879 176.300 0.009 0.000 0.962 179 D CA 0.609 54.614 54.000 0.008 0.000 0.865 179 D CB 0.410 41.212 40.800 0.003 0.000 0.939 179 D HN 0.522 nan 8.370 nan 0.000 0.510 180 G N -0.279 108.529 108.800 0.013 0.000 2.348 180 G HA2 0.179 4.138 3.960 -0.000 0.000 0.606 180 G HA3 0.179 4.138 3.960 -0.000 0.000 0.606 180 G C -1.762 173.144 174.900 0.010 0.000 1.466 180 G CA -0.610 44.501 45.100 0.018 0.000 0.950 180 G HN 0.358 nan 8.290 nan 0.000 0.657 181 K N -0.243 120.172 120.400 0.025 0.000 2.523 181 K HA 0.745 5.065 4.320 -0.000 0.000 0.257 181 K C -1.783 174.828 176.600 0.019 0.000 0.932 181 K CA -1.053 55.232 56.287 -0.003 0.000 0.812 181 K CB 2.156 34.670 32.500 0.024 0.000 1.326 181 K HN 0.990 nan 8.250 nan 0.000 0.433 182 L N 4.359 125.547 121.223 -0.058 0.000 2.376 182 L HA 0.540 4.880 4.340 -0.000 0.000 0.275 182 L C -1.858 174.991 176.870 -0.035 0.000 0.987 182 L CA -0.178 54.672 54.840 0.016 0.000 0.828 182 L CB 0.955 43.011 42.059 -0.004 0.000 1.249 182 L HN 0.548 nan 8.230 nan 0.000 0.409 183 F N 6.037 126.084 119.950 0.162 0.000 2.408 183 F HA 0.602 5.129 4.527 -0.000 0.000 0.344 183 F C 0.025 175.976 175.800 0.251 0.000 1.112 183 F CA -0.268 57.884 58.000 0.254 0.000 1.096 183 F CB 1.640 40.882 39.000 0.404 0.000 1.129 183 F HN 0.418 nan 8.300 nan 0.000 0.486 184 I N 2.707 123.401 120.570 0.208 0.000 2.548 184 I HA 0.706 4.876 4.170 -0.000 0.000 0.287 184 I C -0.641 175.305 176.117 -0.286 0.000 1.103 184 I CA 0.014 61.328 61.300 0.024 0.000 1.049 184 I CB 1.540 39.538 38.000 -0.004 0.000 1.232 184 I HN 0.540 nan 8.210 nan 0.000 0.429 185 G N 3.885 112.351 108.800 -0.557 0.000 2.452 185 G HA2 0.690 4.650 3.960 -0.000 0.000 0.324 185 G HA3 0.690 4.650 3.960 -0.000 0.000 0.324 185 G C -1.246 173.037 174.900 -1.029 0.000 1.214 185 G CA -0.534 43.797 45.100 -1.282 0.000 0.947 185 G HN 0.607 nan 8.290 nan 0.000 0.478 186 T N -0.540 113.455 114.554 -0.933 0.000 3.012 186 T HA 0.594 4.944 4.350 -0.000 0.000 0.330 186 T C 0.029 174.788 174.700 0.098 0.000 1.321 186 T CA 0.211 62.203 62.100 -0.180 0.000 1.067 186 T CB 1.130 69.933 68.868 -0.108 0.000 1.235 186 T HN 1.322 nan 8.240 nan 0.000 0.479 187 A N 1.999 124.959 122.820 0.233 0.000 2.483 187 A HA 0.488 4.808 4.320 -0.000 0.000 0.238 187 A C 1.469 179.114 177.584 0.102 0.000 1.070 187 A CA 0.418 52.546 52.037 0.151 0.000 0.770 187 A CB 0.007 19.163 19.000 0.259 0.000 1.008 187 A HN 1.566 nan 8.150 nan 0.000 0.497 188 V N -2.072 117.905 119.914 0.105 0.000 3.556 188 V HA 0.298 4.418 4.120 -0.000 0.000 0.287 188 V C 0.497 176.696 176.094 0.175 0.000 1.422 188 V CA 1.039 63.436 62.300 0.161 0.000 1.038 188 V CB -0.407 31.564 31.823 0.246 0.000 0.850 188 V HN 0.948 nan 8.190 nan 0.000 0.437 189 D N 0.815 121.296 120.400 0.135 0.000 3.041 189 D HA -0.107 4.533 4.640 -0.000 0.000 0.220 189 D C 1.390 177.744 176.300 0.090 0.000 1.157 189 D CA 1.654 55.733 54.000 0.132 0.000 0.876 189 D CB -1.426 39.457 40.800 0.138 0.000 1.107 189 D HN 1.557 nan 8.370 nan 0.000 0.422 190 G N -0.643 108.205 108.800 0.081 0.000 2.217 190 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.246 190 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.246 190 G C 0.551 175.422 174.900 -0.048 0.000 0.990 190 G CA 0.520 45.636 45.100 0.027 0.000 0.627 190 G HN 0.421 nan 8.290 nan 0.000 0.522 191 K N 1.790 122.164 120.400 -0.043 0.000 3.000 191 K HA 0.240 4.559 4.320 -0.000 0.000 0.265 191 K C 1.967 178.486 176.600 -0.134 0.000 1.260 191 K CA 0.528 56.661 56.287 -0.257 0.000 1.209 191 K CB 0.358 32.750 32.500 -0.180 0.000 1.484 191 K HN 0.644 nan 8.250 nan 0.000 0.283 192 Q N 0.207 119.958 119.800 -0.081 0.000 2.291 192 Q HA -0.214 4.126 4.340 -0.000 0.000 0.206 192 Q C -0.024 175.972 176.000 -0.006 0.000 0.976 192 Q CA 1.689 57.501 55.803 0.016 0.000 0.875 192 Q CB 0.260 29.019 28.738 0.035 0.000 0.927 192 Q HN 0.335 nan 8.270 nan 0.000 0.450 193 D N -0.679 119.664 120.400 -0.095 0.000 2.346 193 D HA -0.019 4.621 4.640 -0.000 0.000 0.206 193 D C 1.261 177.585 176.300 0.038 0.000 1.001 193 D CA 0.290 54.278 54.000 -0.020 0.000 0.871 193 D CB 0.083 40.874 40.800 -0.015 0.000 0.943 193 D HN 0.257 nan 8.370 nan 0.000 0.518 194 Y N -0.190 119.856 120.300 -0.423 0.000 2.314 194 Y HA 0.107 4.657 4.550 -0.000 0.000 0.294 194 Y C 0.527 175.932 175.900 -0.824 0.000 1.119 194 Y CA 0.217 57.782 58.100 -0.892 0.000 1.179 194 Y CB -0.056 37.394 38.460 -1.683 0.000 1.025 194 Y HN -0.205 nan 8.280 nan 0.000 0.541 195 F N 0.750 120.813 119.950 0.188 0.000 2.573 195 F HA 0.454 4.981 4.527 -0.000 0.000 0.316 195 F C -2.554 173.318 175.800 0.120 0.000 1.148 195 F CA -3.425 54.667 58.000 0.152 0.000 0.940 195 F CB 1.348 40.431 39.000 0.139 0.000 1.214 195 F HN -0.283 nan 8.300 nan 0.000 0.448 196 P HA 0.067 nan 4.420 nan 0.000 0.275 196 P C 0.496 177.905 177.300 0.183 0.000 1.228 196 P CA -0.024 63.195 63.100 0.198 0.000 0.786 196 P CB 1.680 33.472 31.700 0.153 0.000 0.927 197 T N 1.081 115.746 114.554 0.184 0.000 2.985 197 T HA 0.059 4.409 4.350 -0.000 0.000 0.266 197 T C 0.456 175.159 174.700 0.005 0.000 1.076 197 T CA 0.773 62.969 62.100 0.160 0.000 1.135 197 T CB -0.348 68.695 68.868 0.292 0.000 0.890 197 T HN 0.262 nan 8.240 nan 0.000 0.480 198 L N 1.422 122.707 121.223 0.103 0.000 2.455 198 L HA 0.668 5.008 4.340 -0.000 0.000 0.264 198 L C -1.081 175.911 176.870 0.203 0.000 0.968 198 L CA -0.168 54.709 54.840 0.061 0.000 0.827 198 L CB 2.161 44.372 42.059 0.253 0.000 1.317 198 L HN 0.196 nan 8.230 nan 0.000 0.407 199 S N 1.581 117.396 115.700 0.192 0.000 2.611 199 S HA 0.793 5.263 4.470 -0.000 0.000 0.268 199 S C -1.260 173.457 174.600 0.195 0.000 1.156 199 S CA -0.289 58.009 58.200 0.162 0.000 0.817 199 S CB 1.289 64.558 63.200 0.115 0.000 1.122 199 S HN 1.051 nan 8.310 nan 0.000 0.466 200 S N 0.665 116.388 115.700 0.038 0.000 2.502 200 S HA 0.820 5.290 4.470 -0.000 0.000 0.304 200 S C -1.100 173.427 174.600 -0.122 0.000 1.097 200 S CA -0.765 57.316 58.200 -0.199 0.000 1.045 200 S CB 0.774 63.757 63.200 -0.362 0.000 1.019 200 S HN 0.767 nan 8.310 nan 0.000 0.481 201 R N 2.597 123.008 120.500 -0.149 0.000 2.854 201 R HA 0.480 4.820 4.340 -0.000 0.000 0.271 201 R C -0.792 175.451 176.300 -0.095 0.000 0.994 201 R CA -0.934 55.108 56.100 -0.097 0.000 0.945 201 R CB 0.794 31.030 30.300 -0.106 0.000 1.194 201 R HN 0.687 nan 8.270 nan 0.000 0.476 202 K N 1.462 121.822 120.400 -0.068 0.000 2.379 202 K HA 0.245 4.565 4.320 -0.000 0.000 0.284 202 K C 0.012 176.580 176.600 -0.053 0.000 1.044 202 K CA 0.016 56.273 56.287 -0.050 0.000 0.974 202 K CB 0.609 33.090 32.500 -0.031 0.000 0.962 202 K HN 0.280 nan 8.250 nan 0.000 0.474 203 L N 6.109 127.307 121.223 -0.042 0.000 2.709 203 L HA 0.250 4.590 4.340 -0.000 0.000 0.236 203 L C -2.335 174.518 176.870 -0.029 0.000 1.266 203 L CA -2.082 52.733 54.840 -0.041 0.000 0.987 203 L CB 0.984 43.024 42.059 -0.032 0.000 1.306 203 L HN 0.310 nan 8.230 nan 0.000 0.467 204 P HA 0.082 nan 4.420 nan 0.000 0.268 204 P C 0.538 177.827 177.300 -0.018 0.000 1.208 204 P CA -0.059 63.031 63.100 -0.018 0.000 0.777 204 P CB 0.705 32.394 31.700 -0.017 0.000 0.875 205 R N 0.551 121.046 120.500 -0.009 0.000 2.096 205 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 205 R C 0.598 176.892 176.300 -0.010 0.000 1.127 205 R CA 1.082 57.178 56.100 -0.006 0.000 0.968 205 R CB -0.415 29.886 30.300 0.002 0.000 0.861 205 R HN 0.576 nan 8.270 nan 0.000 0.440 206 D N 0.749 121.143 120.400 -0.010 0.000 2.339 206 D HA 0.044 4.684 4.640 -0.000 0.000 0.256 206 D C -1.787 174.501 176.300 -0.020 0.000 1.214 206 D CA -2.325 51.669 54.000 -0.010 0.000 0.877 206 D CB 1.471 42.267 40.800 -0.007 0.000 1.111 206 D HN -0.142 nan 8.370 nan 0.000 0.478 207 P HA -0.110 nan 4.420 nan 0.000 0.218 207 P C 0.185 177.462 177.300 -0.038 0.000 1.148 207 P CA 1.066 64.144 63.100 -0.038 0.000 0.822 207 P CB 0.217 31.899 31.700 -0.030 0.000 0.784 208 E N -0.678 119.509 120.200 -0.022 0.000 2.368 208 E HA 0.103 4.452 4.350 -0.000 0.000 0.188 208 E C 0.181 176.772 176.600 -0.014 0.000 1.061 208 E CA -0.249 56.140 56.400 -0.019 0.000 0.933 208 E CB -0.164 29.530 29.700 -0.010 0.000 1.091 208 E HN 0.052 nan 8.360 nan 0.000 0.458 209 S N 0.545 116.236 115.700 -0.015 0.000 2.549 209 S HA 0.010 4.480 4.470 -0.000 0.000 0.279 209 S C 1.479 176.085 174.600 0.011 0.000 1.321 209 S CA -0.131 58.066 58.200 -0.005 0.000 1.054 209 S CB 0.916 64.111 63.200 -0.009 0.000 0.899 209 S HN 0.332 nan 8.310 nan 0.000 0.497 210 S N 3.971 119.686 115.700 0.024 0.000 2.481 210 S HA 0.022 4.492 4.470 -0.000 0.000 0.231 210 S C 1.422 176.094 174.600 0.120 0.000 0.996 210 S CA 0.534 58.773 58.200 0.065 0.000 0.942 210 S CB -0.299 62.920 63.200 0.031 0.000 0.768 210 S HN 0.896 nan 8.310 nan 0.000 0.520 211 A N 0.598 123.456 122.820 0.063 0.000 2.345 211 A HA 0.543 4.863 4.320 -0.000 0.000 0.225 211 A C 0.719 178.320 177.584 0.028 0.000 1.243 211 A CA -0.463 51.608 52.037 0.057 0.000 0.875 211 A CB -0.545 18.471 19.000 0.028 0.000 0.929 211 A HN 0.513 nan 8.150 nan 0.000 0.502 212 M N 0.669 120.269 119.600 -0.001 0.000 2.327 212 M HA 0.176 4.656 4.480 -0.000 0.000 0.353 212 M C 0.470 176.705 176.300 -0.109 0.000 1.539 212 M CA 0.635 55.893 55.300 -0.071 0.000 1.039 212 M CB -0.848 31.685 32.600 -0.113 0.000 1.967 212 M HN 0.413 nan 8.290 nan 0.000 0.459 213 L N 2.118 123.281 121.223 -0.101 0.000 4.696 213 L HA -0.312 4.028 4.340 -0.000 0.000 0.425 213 L C -0.382 176.448 176.870 -0.067 0.000 1.115 213 L CA 0.252 55.028 54.840 -0.107 0.000 0.996 213 L CB -2.039 39.907 42.059 -0.188 0.000 2.077 213 L HN 0.679 nan 8.230 nan 0.000 0.792 214 D N -0.589 119.787 120.400 -0.039 0.000 2.382 214 D HA 0.215 4.855 4.640 -0.000 0.000 0.240 214 D C 0.276 176.484 176.300 -0.152 0.000 1.146 214 D CA -0.004 53.919 54.000 -0.127 0.000 0.897 214 D CB 0.305 41.082 40.800 -0.038 0.000 1.197 214 D HN -0.066 nan 8.370 nan 0.000 0.432 215 Y N 0.892 121.106 120.300 -0.143 0.000 2.805 215 Y HA -0.086 4.464 4.550 -0.000 0.000 0.337 215 Y C 1.880 177.709 175.900 -0.120 0.000 1.252 215 Y CA 0.382 58.379 58.100 -0.171 0.000 1.515 215 Y CB 0.299 38.612 38.460 -0.244 0.000 1.305 215 Y HN 0.513 nan 8.280 nan 0.000 0.600 216 E N 1.224 121.457 120.200 0.054 0.000 2.150 216 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 216 E C -0.526 176.073 176.600 -0.001 0.000 0.985 216 E CA 0.720 57.116 56.400 -0.008 0.000 0.814 216 E CB 0.166 29.833 29.700 -0.055 0.000 0.752 216 E HN 0.420 nan 8.360 nan 0.000 0.466 217 L N 0.208 121.420 121.223 -0.018 0.000 2.493 217 L HA 0.376 4.716 4.340 -0.000 0.000 0.265 217 L C -1.949 174.911 176.870 -0.017 0.000 0.954 217 L CA -0.759 54.063 54.840 -0.029 0.000 0.844 217 L CB 2.133 44.144 42.059 -0.079 0.000 1.302 217 L HN 0.011 nan 8.230 nan 0.000 0.405 218 H N 2.806 121.808 119.070 -0.114 0.000 3.177 218 H HA 0.771 5.327 4.556 -0.000 0.000 0.314 218 H C -1.316 173.927 175.328 -0.141 0.000 1.059 218 H CA 0.192 56.151 56.048 -0.148 0.000 1.515 218 H CB 1.217 30.981 29.762 0.003 0.000 1.672 218 H HN 0.783 nan 8.280 nan 0.000 0.514 219 S N 2.292 117.823 115.700 -0.282 0.000 2.732 219 S HA 0.318 4.788 4.470 -0.000 0.000 0.293 219 S C 0.407 174.733 174.600 -0.455 0.000 1.159 219 S CA -0.757 57.215 58.200 -0.380 0.000 0.847 219 S CB 1.594 64.643 63.200 -0.251 0.000 1.169 219 S HN 0.383 nan 8.310 nan 0.000 0.501 220 D N 0.478 120.505 120.400 -0.622 0.000 2.116 220 D HA -0.068 4.572 4.640 -0.000 0.000 0.193 220 D C 0.696 176.565 176.300 -0.717 0.000 0.998 220 D CA 1.868 55.334 54.000 -0.891 0.000 0.836 220 D CB -0.260 39.575 40.800 -1.607 0.000 0.951 220 D HN 0.603 nan 8.370 nan 0.000 0.449 221 F N -0.730 119.175 119.950 -0.074 0.000 2.746 221 F HA 0.237 4.764 4.527 -0.000 0.000 0.320 221 F C 0.074 175.846 175.800 -0.046 0.000 1.097 221 F CA -0.421 57.548 58.000 -0.053 0.000 1.195 221 F CB 0.659 39.638 39.000 -0.036 0.000 1.056 221 F HN -0.338 nan 8.300 nan 0.000 0.562 222 V N 0.088 120.000 119.914 -0.003 0.000 2.445 222 V HA 0.581 4.701 4.120 -0.000 0.000 0.283 222 V C -0.364 175.658 176.094 -0.119 0.000 1.014 222 V CA -0.545 61.736 62.300 -0.031 0.000 0.852 222 V CB 1.135 32.951 31.823 -0.011 0.000 1.021 222 V HN 0.100 nan 8.190 nan 0.000 0.435 223 S N 1.672 117.268 115.700 -0.174 0.000 2.627 223 S HA 0.490 4.959 4.470 -0.000 0.000 0.283 223 S C 0.271 174.590 174.600 -0.467 0.000 1.127 223 S CA -0.562 57.469 58.200 -0.281 0.000 0.863 223 S CB 2.156 65.168 63.200 -0.313 0.000 1.121 223 S HN 0.869 nan 8.310 nan 0.000 0.479 224 S N 1.495 116.840 115.700 -0.592 0.000 4.183 224 S HA 0.506 4.976 4.470 -0.000 0.000 0.195 224 S C -0.355 173.395 174.600 -1.417 0.000 1.421 224 S CA -0.518 57.055 58.200 -1.044 0.000 0.920 224 S CB -1.507 61.398 63.200 -0.492 0.000 1.525 224 S HN 0.614 nan 8.310 nan 0.000 0.447 225 L N -1.696 118.747 121.223 -1.300 0.000 2.724 225 L HA 0.707 5.047 4.340 -0.000 0.000 0.258 225 L C -1.509 175.190 176.870 -0.286 0.000 0.967 225 L CA -1.031 53.397 54.840 -0.687 0.000 0.891 225 L CB 0.969 42.680 42.059 -0.579 0.000 1.456 225 L HN 0.102 nan 8.230 nan 0.000 0.416 226 I N 1.402 121.977 120.570 0.008 0.000 2.436 226 I HA 0.511 4.681 4.170 -0.000 0.000 0.289 226 I C -0.456 175.728 176.117 0.111 0.000 1.010 226 I CA -0.509 60.840 61.300 0.081 0.000 1.098 226 I CB 1.886 39.999 38.000 0.188 0.000 1.266 226 I HN 0.728 nan 8.210 nan 0.000 0.434 227 K N 5.958 126.403 120.400 0.075 0.000 2.221 227 K HA 0.587 4.907 4.320 -0.000 0.000 0.258 227 K C -0.494 176.211 176.600 0.176 0.000 0.944 227 K CA -0.812 55.545 56.287 0.117 0.000 0.823 227 K CB 2.547 35.081 32.500 0.057 0.000 1.113 227 K HN 0.466 nan 8.250 nan 0.000 0.431 228 I N 5.261 125.988 120.570 0.261 0.000 2.505 228 I HA 0.044 4.214 4.170 -0.000 0.000 0.287 228 I C -2.013 174.191 176.117 0.146 0.000 1.104 228 I CA -1.832 59.666 61.300 0.331 0.000 1.387 228 I CB 0.340 38.554 38.000 0.356 0.000 1.404 228 I HN 0.242 nan 8.210 nan 0.000 0.528 229 P HA -0.049 nan 4.420 nan 0.000 0.265 229 P C 0.772 178.064 177.300 -0.012 0.000 1.193 229 P CA 0.149 63.246 63.100 -0.006 0.000 0.765 229 P CB 0.826 32.489 31.700 -0.063 0.000 0.823 230 S N 2.422 118.111 115.700 -0.018 0.000 2.370 230 S HA -0.225 4.245 4.470 -0.000 0.000 0.226 230 S C 1.384 175.961 174.600 -0.038 0.000 1.033 230 S CA 1.903 60.088 58.200 -0.025 0.000 1.011 230 S CB -0.898 62.287 63.200 -0.026 0.000 0.852 230 S HN 0.351 nan 8.310 nan 0.000 0.457 231 D N 0.614 120.986 120.400 -0.047 0.000 2.221 231 D HA -0.027 4.613 4.640 -0.000 0.000 0.204 231 D C 1.962 178.218 176.300 -0.074 0.000 0.982 231 D CA 1.484 55.452 54.000 -0.053 0.000 0.857 231 D CB -0.616 40.151 40.800 -0.055 0.000 0.934 231 D HN 0.512 nan 8.370 nan 0.000 0.475 232 T N 0.033 114.521 114.554 -0.110 0.000 2.896 232 T HA 0.043 4.393 4.350 -0.000 0.000 0.263 232 T C 2.135 176.717 174.700 -0.197 0.000 1.050 232 T CA 0.312 62.288 62.100 -0.207 0.000 1.140 232 T CB 0.030 68.696 68.868 -0.337 0.000 0.877 232 T HN 0.119 nan 8.240 nan 0.000 0.457 233 L N 0.820 121.984 121.223 -0.099 0.000 2.109 233 L HA 0.029 4.369 4.340 -0.000 0.000 0.207 233 L C 3.034 179.904 176.870 0.001 0.000 1.086 233 L CA 0.967 55.805 54.840 -0.004 0.000 0.760 233 L CB -0.649 41.426 42.059 0.027 0.000 0.910 233 L HN 0.216 nan 8.230 nan 0.000 0.437 234 A N 0.253 123.061 122.820 -0.020 0.000 1.865 234 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 234 A C 2.215 179.797 177.584 -0.003 0.000 1.191 234 A CA 1.913 53.943 52.037 -0.012 0.000 0.623 234 A CB -0.806 18.182 19.000 -0.020 0.000 0.826 234 A HN 0.303 nan 8.150 nan 0.000 0.444 235 L N -0.511 120.702 121.223 -0.017 0.000 1.970 235 L HA -0.017 4.322 4.340 -0.000 0.000 0.212 235 L C 0.430 177.313 176.870 0.021 0.000 1.071 235 L CA 1.854 56.690 54.840 -0.006 0.000 0.751 235 L CB -0.225 41.818 42.059 -0.027 0.000 0.889 235 L HN 0.143 nan 8.230 nan 0.000 0.432 236 V N 0.041 119.972 119.914 0.028 0.000 2.443 236 V HA 0.495 4.615 4.120 -0.000 0.000 0.293 236 V C -0.285 175.907 176.094 0.164 0.000 1.021 236 V CA -0.418 61.940 62.300 0.096 0.000 0.848 236 V CB 1.305 33.203 31.823 0.124 0.000 0.998 236 V HN 0.243 nan 8.190 nan 0.000 0.424 237 S N 1.919 117.725 115.700 0.177 0.000 2.568 237 S HA 0.525 4.995 4.470 -0.000 0.000 0.293 237 S C -0.338 174.487 174.600 0.374 0.000 1.089 237 S CA -0.619 57.725 58.200 0.239 0.000 0.945 237 S CB 1.174 64.442 63.200 0.114 0.000 1.077 237 S HN 0.833 nan 8.310 nan 0.000 0.485 238 H N 1.976 121.122 119.070 0.126 0.000 2.680 238 H HA 0.167 4.723 4.556 -0.000 0.000 0.224 238 H C -0.419 174.988 175.328 0.132 0.000 1.866 238 H CA -0.373 55.757 56.048 0.137 0.000 1.302 238 H CB -0.248 29.605 29.762 0.152 0.000 1.709 238 H HN 0.432 nan 8.280 nan 0.000 0.537 239 F N 2.790 122.802 119.950 0.102 0.000 2.623 239 F HA -0.044 4.483 4.527 -0.000 0.000 0.383 239 F C 0.174 175.933 175.800 -0.067 0.000 1.077 239 F CA 0.628 58.624 58.000 -0.007 0.000 1.268 239 F CB 0.299 39.288 39.000 -0.018 0.000 1.053 239 F HN 0.389 nan 8.300 nan 0.000 0.571 240 D N 5.140 124.999 120.400 -0.903 0.000 2.639 240 D HA 0.440 5.080 4.640 -0.000 0.000 0.271 240 D C -1.347 174.136 176.300 -1.363 0.000 1.254 240 D CA -0.437 53.069 54.000 -0.824 0.000 0.810 240 D CB 1.754 42.245 40.800 -0.514 0.000 1.351 240 D HN 0.431 nan 8.370 nan 0.000 0.427 241 I N 1.825 121.795 120.570 -1.000 0.000 2.418 241 I HA 0.352 4.522 4.170 -0.000 0.000 0.287 241 I C -0.752 174.949 176.117 -0.693 0.000 1.008 241 I CA -0.732 60.021 61.300 -0.911 0.000 1.104 241 I CB 1.109 38.766 38.000 -0.571 0.000 1.264 241 I HN 0.110 nan 8.210 nan 0.000 0.438 242 F N 5.411 125.225 119.950 -0.228 0.000 2.415 242 F HA 0.390 4.917 4.527 -0.000 0.000 0.348 242 F C -0.305 175.452 175.800 -0.073 0.000 1.119 242 F CA -0.790 57.196 58.000 -0.023 0.000 1.069 242 F CB 0.454 39.451 39.000 -0.005 0.000 1.124 242 F HN 0.259 nan 8.300 nan 0.000 0.472 243 Y N 4.322 124.796 120.300 0.290 0.000 2.518 243 Y HA 0.234 4.784 4.550 -0.000 0.000 0.344 243 Y C 1.090 177.199 175.900 0.350 0.000 0.982 243 Y CA -0.631 57.649 58.100 0.300 0.000 1.234 243 Y CB 0.377 39.013 38.460 0.294 0.000 1.114 243 Y HN 0.488 nan 8.280 nan 0.000 0.515 244 I N 2.187 122.971 120.570 0.357 0.000 2.333 244 I HA -0.158 4.012 4.170 -0.000 0.000 0.246 244 I C 0.091 176.354 176.117 0.243 0.000 1.106 244 I CA 1.104 62.584 61.300 0.299 0.000 1.411 244 I CB -0.520 37.602 38.000 0.203 0.000 1.082 244 I HN 0.454 nan 8.210 nan 0.000 0.420 245 Y N -0.246 120.007 120.300 -0.079 0.000 2.638 245 Y HA 0.632 5.182 4.550 -0.000 0.000 0.335 245 Y C -0.400 175.263 175.900 -0.395 0.000 1.155 245 Y CA -1.161 56.591 58.100 -0.581 0.000 1.046 245 Y CB 1.784 40.092 38.460 -0.254 0.000 1.303 245 Y HN -0.031 nan 8.280 nan 0.000 0.460 246 G N 2.048 110.050 108.800 -1.331 0.000 2.718 246 G HA2 0.651 4.611 3.960 -0.000 0.000 0.295 246 G HA3 0.651 4.611 3.960 -0.000 0.000 0.295 246 G C -2.210 172.198 174.900 -0.820 0.000 1.421 246 G CA -0.578 43.951 45.100 -0.951 0.000 0.902 246 G HN 0.933 nan 8.290 nan 0.000 0.501 247 F N -0.951 118.591 119.950 -0.681 0.000 2.719 247 F HA 0.845 5.372 4.527 -0.000 0.000 0.309 247 F C -0.410 175.281 175.800 -0.182 0.000 1.138 247 F CA -1.604 56.162 58.000 -0.390 0.000 0.943 247 F CB 1.269 40.079 39.000 -0.317 0.000 1.304 247 F HN 0.870 nan 8.300 nan 0.000 0.445 248 A N 1.472 124.338 122.820 0.077 0.000 2.292 248 A HA 0.757 5.076 4.320 -0.000 0.000 0.319 248 A C -0.633 177.111 177.584 0.266 0.000 1.206 248 A CA -0.434 51.653 52.037 0.083 0.000 0.835 248 A CB 1.016 20.029 19.000 0.020 0.000 1.164 248 A HN 1.072 nan 8.150 nan 0.000 0.505 249 S N 1.802 117.700 115.700 0.331 0.000 2.668 249 S HA 0.603 5.073 4.470 -0.000 0.000 0.277 249 S C 0.479 175.269 174.600 0.316 0.000 1.170 249 S CA 0.726 59.117 58.200 0.318 0.000 0.994 249 S CB 0.302 63.700 63.200 0.330 0.000 1.051 249 S HN 2.712 nan 8.310 nan 0.000 0.484 250 G N 4.171 113.083 108.800 0.187 0.000 2.583 250 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.292 250 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.292 250 G C 0.816 175.733 174.900 0.028 0.000 1.203 250 G CA 0.269 45.451 45.100 0.137 0.000 0.987 250 G HN 1.731 nan 8.290 nan 0.000 0.554 251 G N -0.557 108.166 108.800 -0.127 0.000 3.262 251 G HA2 0.509 4.469 3.960 -0.000 0.000 0.228 251 G HA3 0.509 4.469 3.960 -0.000 0.000 0.228 251 G C 0.007 174.426 174.900 -0.801 0.000 1.197 251 G CA 0.387 45.199 45.100 -0.480 0.000 0.819 251 G HN 0.477 nan 8.290 nan 0.000 0.531 252 F N -0.967 118.921 119.950 -0.102 0.000 2.620 252 F HA 0.628 5.155 4.527 0.000 0.000 0.320 252 F C -0.012 175.545 175.800 -0.405 0.000 1.069 252 F CA -1.426 56.381 58.000 -0.321 0.000 0.953 252 F CB 1.963 40.647 39.000 -0.527 0.000 1.322 252 F HN -0.033 nan 8.300 nan 0.000 0.479 253 V N -0.935 118.693 119.914 -0.477 0.000 2.815 253 V HA 0.692 4.812 4.120 -0.000 0.000 0.314 253 V C -1.763 173.827 176.094 -0.840 0.000 1.064 253 V CA -1.061 60.868 62.300 -0.617 0.000 0.952 253 V CB 1.735 33.031 31.823 -0.878 0.000 1.020 253 V HN 0.685 nan 8.190 nan 0.000 0.439 254 Y N 2.032 121.793 120.300 -0.897 0.000 2.442 254 Y HA 0.772 5.322 4.550 -0.000 0.000 0.344 254 Y C -0.799 174.536 175.900 -0.942 0.000 0.976 254 Y CA -0.602 56.952 58.100 -0.910 0.000 1.040 254 Y CB 2.365 39.973 38.460 -1.419 0.000 1.228 254 Y HN 0.656 nan 8.280 nan 0.000 0.451 255 F N 3.172 122.990 119.950 -0.219 0.000 2.520 255 F HA 0.619 5.146 4.527 -0.000 0.000 0.322 255 F C -0.736 175.032 175.800 -0.053 0.000 1.103 255 F CA -0.909 57.058 58.000 -0.055 0.000 0.926 255 F CB 1.586 40.680 39.000 0.155 0.000 1.154 255 F HN 0.163 nan 8.300 nan 0.000 0.453 256 L N 3.220 124.551 121.223 0.180 0.000 2.305 256 L HA 0.647 4.987 4.340 -0.000 0.000 0.284 256 L C -0.256 176.701 176.870 0.145 0.000 1.013 256 L CA -0.568 54.353 54.840 0.135 0.000 0.819 256 L CB 1.607 43.815 42.059 0.247 0.000 1.227 256 L HN 0.700 nan 8.230 nan 0.000 0.417 257 T N -0.045 114.547 114.554 0.064 0.000 2.916 257 T HA 0.787 5.137 4.350 -0.000 0.000 0.292 257 T C -0.512 174.219 174.700 0.052 0.000 1.055 257 T CA -0.771 61.285 62.100 -0.073 0.000 1.009 257 T CB 2.400 71.036 68.868 -0.387 0.000 1.118 257 T HN 0.154 nan 8.240 nan 0.000 0.497 258 V N 2.560 122.498 119.914 0.040 0.000 2.680 258 V HA 0.770 4.890 4.120 -0.000 0.000 0.309 258 V C -0.577 175.482 176.094 -0.059 0.000 1.052 258 V CA -0.741 61.625 62.300 0.111 0.000 0.908 258 V CB 1.454 33.428 31.823 0.252 0.000 1.001 258 V HN 1.180 nan 8.190 nan 0.000 0.431 259 Q N 3.775 123.531 119.800 -0.074 0.000 2.472 259 Q HA 0.552 4.892 4.340 -0.000 0.000 0.281 259 Q C -3.225 172.670 176.000 -0.174 0.000 0.997 259 Q CA -2.039 53.559 55.803 -0.342 0.000 0.828 259 Q CB 2.697 31.041 28.738 -0.657 0.000 1.443 259 Q HN 0.398 nan 8.270 nan 0.000 0.390 260 P HA 0.052 nan 4.420 nan 0.000 0.269 260 P C -0.813 176.432 177.300 -0.092 0.000 1.209 260 P CA 0.125 62.956 63.100 -0.448 0.000 0.776 260 P CB 0.579 32.036 31.700 -0.404 0.000 0.876 261 E N 0.294 120.479 120.200 -0.025 0.000 2.349 261 E HA 0.331 4.681 4.350 -0.000 0.000 0.262 261 E C -0.167 176.520 176.600 0.145 0.000 1.088 261 E CA -0.399 56.066 56.400 0.109 0.000 0.899 261 E CB 0.587 30.359 29.700 0.121 0.000 1.044 261 E HN 0.460 nan 8.360 nan 0.000 0.420 262 T N 0.483 115.134 114.554 0.161 0.000 2.885 262 T HA 0.529 4.879 4.350 -0.000 0.000 0.285 262 T C -1.967 172.787 174.700 0.090 0.000 1.019 262 T CA -1.565 60.611 62.100 0.127 0.000 1.010 262 T CB 1.150 70.090 68.868 0.121 0.000 1.022 262 T HN 0.301 nan 8.240 nan 0.000 0.466 274 L N 0.643 121.714 121.223 -0.252 0.000 2.296 274 L HA 0.620 4.959 4.340 -0.000 0.000 0.286 274 L C -0.408 176.251 176.870 -0.352 0.000 1.023 274 L CA -0.396 54.307 54.840 -0.228 0.000 0.812 274 L CB 0.288 42.265 42.059 -0.137 0.000 1.223 274 L HN 0.190 nan 8.230 nan 0.000 0.421 275 F N 2.165 122.064 119.950 -0.086 0.000 2.421 275 F HA 0.589 5.116 4.527 -0.000 0.000 0.337 275 F C -0.127 175.582 175.800 -0.151 0.000 1.105 275 F CA -0.311 57.691 58.000 0.003 0.000 1.049 275 F CB 1.097 40.119 39.000 0.037 0.000 1.139 275 F HN 0.290 nan 8.300 nan 0.000 0.479 276 Y N 0.274 120.719 120.300 0.241 0.000 2.487 276 Y HA 0.586 5.136 4.550 -0.000 0.000 0.337 276 Y C 0.132 176.129 175.900 0.162 0.000 1.076 276 Y CA -0.888 57.299 58.100 0.145 0.000 1.115 276 Y CB 2.138 40.661 38.460 0.105 0.000 1.235 276 Y HN 0.380 nan 8.280 nan 0.000 0.468 277 T N 1.317 116.026 114.554 0.259 0.000 2.861 277 T HA 0.400 4.749 4.350 -0.000 0.000 0.287 277 T C -0.826 174.010 174.700 0.226 0.000 1.003 277 T CA -0.924 61.308 62.100 0.219 0.000 0.977 277 T CB 1.100 70.067 68.868 0.166 0.000 0.996 277 T HN 0.510 nan 8.240 nan 0.000 0.448 278 S N 3.179 119.055 115.700 0.293 0.000 2.462 278 S HA 0.618 5.088 4.470 -0.000 0.000 0.294 278 S C -0.037 174.853 174.600 0.483 0.000 1.144 278 S CA -0.922 57.511 58.200 0.390 0.000 1.088 278 S CB 0.916 64.418 63.200 0.504 0.000 1.009 278 S HN 0.481 nan 8.310 nan 0.000 0.484 279 R N 1.404 122.125 120.500 0.368 0.000 2.795 279 R HA 0.553 4.893 4.340 -0.000 0.000 0.275 279 R C -1.065 175.147 176.300 -0.146 0.000 0.981 279 R CA -0.771 55.428 56.100 0.166 0.000 0.917 279 R CB 1.656 32.017 30.300 0.100 0.000 1.202 279 R HN 0.522 nan 8.270 nan 0.000 0.469 280 I N 2.158 122.505 120.570 -0.371 0.000 2.321 280 I HA 0.255 4.425 4.170 -0.000 0.000 0.291 280 I C -0.380 175.611 176.117 -0.211 0.000 0.998 280 I CA -0.824 60.226 61.300 -0.416 0.000 1.227 280 I CB 1.647 39.331 38.000 -0.527 0.000 1.368 280 I HN 0.127 nan 8.210 nan 0.000 0.466 281 V N 7.321 127.138 119.914 -0.161 0.000 2.370 281 V HA 0.440 4.560 4.120 -0.000 0.000 0.283 281 V C 0.138 176.056 176.094 -0.294 0.000 1.023 281 V CA -0.615 61.542 62.300 -0.238 0.000 0.857 281 V CB 1.546 33.292 31.823 -0.129 0.000 0.985 281 V HN 0.679 nan 8.190 nan 0.000 0.443 282 R N 4.407 124.651 120.500 -0.427 0.000 2.589 282 R HA 0.844 5.184 4.340 -0.000 0.000 0.293 282 R C -1.635 174.403 176.300 -0.436 0.000 0.963 282 R CA -0.649 55.121 56.100 -0.550 0.000 0.905 282 R CB 1.572 31.476 30.300 -0.661 0.000 1.144 282 R HN 0.670 nan 8.270 nan 0.000 0.459 283 L N 2.420 123.401 121.223 -0.403 0.000 2.409 283 L HA 0.479 4.819 4.340 -0.000 0.000 0.262 283 L C -0.620 176.175 176.870 -0.125 0.000 0.992 283 L CA -1.101 53.588 54.840 -0.253 0.000 0.817 283 L CB 2.368 44.234 42.059 -0.322 0.000 1.350 283 L HN 0.707 nan 8.230 nan 0.000 0.411 284 c N 1.126 119.713 118.600 -0.021 0.000 2.644 284 c HA 0.074 4.644 4.570 -0.000 0.000 0.417 284 c C 1.934 175.946 174.090 -0.130 0.000 1.304 284 c CA -0.478 55.774 56.329 -0.128 0.000 2.035 284 c CB 0.301 42.729 42.510 -0.138 0.000 2.673 284 c HN 0.829 nan 8.230 nan 0.000 0.602 285 K N 0.715 120.994 120.400 -0.201 0.000 2.218 285 K HA -0.160 4.160 4.320 -0.000 0.000 0.205 285 K C 0.267 176.939 176.600 0.121 0.000 1.046 285 K CA 1.404 57.667 56.287 -0.040 0.000 0.933 285 K CB 0.001 32.453 32.500 -0.081 0.000 0.728 285 K HN 0.638 nan 8.250 nan 0.000 0.454 286 D N 0.662 121.074 120.400 0.020 0.000 2.432 286 D HA 0.103 4.742 4.640 -0.000 0.000 0.265 286 D C -1.699 174.621 176.300 0.033 0.000 1.160 286 D CA -0.396 53.627 54.000 0.039 0.000 0.911 286 D CB 0.593 41.386 40.800 -0.011 0.000 1.052 286 D HN -0.047 nan 8.370 nan 0.000 0.508 287 D N 3.499 123.956 120.400 0.096 0.000 3.117 287 D HA 0.162 4.802 4.640 -0.000 0.000 0.241 287 D C -2.112 174.295 176.300 0.179 0.000 1.385 287 D CA -0.999 53.054 54.000 0.090 0.000 0.855 287 D CB 1.013 41.852 40.800 0.065 0.000 1.498 287 D HN 0.081 nan 8.370 nan 0.000 0.584 288 P HA -0.153 nan 4.420 nan 0.000 0.217 288 P C 0.895 178.227 177.300 0.054 0.000 1.148 288 P CA 1.155 64.303 63.100 0.080 0.000 0.828 288 P CB 0.246 31.945 31.700 -0.002 0.000 0.783 289 K N -2.538 117.841 120.400 -0.036 0.000 2.432 289 K HA 0.021 4.341 4.320 -0.000 0.000 0.196 289 K C -0.016 176.574 176.600 -0.017 0.000 1.038 289 K CA 0.100 56.243 56.287 -0.239 0.000 0.986 289 K CB -0.283 31.785 32.500 -0.720 0.000 0.782 289 K HN -0.042 nan 8.250 nan 0.000 0.485 290 F N 0.202 120.105 119.950 -0.077 0.000 3.069 290 F HA -0.268 4.258 4.527 -0.000 0.000 0.285 290 F C 0.841 176.754 175.800 0.189 0.000 0.827 290 F CA 0.601 58.653 58.000 0.087 0.000 1.108 290 F CB -2.341 36.713 39.000 0.091 0.000 1.252 290 F HN 0.298 nan 8.300 nan 0.000 0.483 291 H N -1.030 118.159 119.070 0.198 0.000 2.521 291 H HA 0.039 4.595 4.556 -0.000 0.000 0.286 291 H C 2.184 177.574 175.328 0.103 0.000 1.034 291 H CA 1.271 57.394 56.048 0.126 0.000 1.278 291 H CB -0.142 29.661 29.762 0.069 0.000 1.386 291 H HN 0.427 nan 8.280 nan 0.000 0.567 292 S N -0.808 115.003 115.700 0.185 0.000 2.593 292 S HA -0.064 4.405 4.470 -0.000 0.000 0.217 292 S C 0.669 175.332 174.600 0.106 0.000 0.966 292 S CA -0.556 57.700 58.200 0.094 0.000 0.914 292 S CB -0.784 62.431 63.200 0.025 0.000 0.776 292 S HN 0.319 nan 8.310 nan 0.000 0.523 293 Y N 1.897 122.214 120.300 0.029 0.000 2.721 293 Y HA 0.340 4.890 4.550 -0.000 0.000 0.329 293 Y C -0.084 175.840 175.900 0.041 0.000 1.211 293 Y CA 0.342 58.448 58.100 0.011 0.000 1.512 293 Y CB 0.388 38.886 38.460 0.065 0.000 1.249 293 Y HN 0.146 nan 8.280 nan 0.000 0.549 294 V N 5.710 125.465 119.914 -0.266 0.000 3.012 294 V HA 0.625 4.745 4.120 -0.000 0.000 0.307 294 V C -1.533 174.403 176.094 -0.264 0.000 1.166 294 V CA -0.286 61.943 62.300 -0.118 0.000 0.974 294 V CB 2.429 34.227 31.823 -0.042 0.000 1.040 294 V HN 0.730 nan 8.190 nan 0.000 0.428 295 S N 6.346 122.006 115.700 -0.067 0.000 2.736 295 S HA 0.757 5.227 4.470 -0.000 0.000 0.285 295 S C -1.501 173.125 174.600 0.044 0.000 1.163 295 S CA -0.526 57.659 58.200 -0.025 0.000 1.025 295 S CB 0.806 64.096 63.200 0.150 0.000 1.030 295 S HN 0.735 nan 8.310 nan 0.000 0.486 296 L N 5.073 126.297 121.223 0.002 0.000 2.354 296 L HA 0.634 4.974 4.340 -0.000 0.000 0.269 296 L C -2.387 174.527 176.870 0.075 0.000 1.005 296 L CA -2.702 52.163 54.840 0.041 0.000 0.819 296 L CB 2.477 44.546 42.059 0.017 0.000 1.311 296 L HN 0.436 nan 8.230 nan 0.000 0.423 297 P HA 0.251 nan 4.420 nan 0.000 0.272 297 P C -1.233 176.269 177.300 0.336 0.000 1.230 297 P CA 0.036 63.275 63.100 0.232 0.000 0.788 297 P CB 0.451 32.257 31.700 0.177 0.000 0.949 298 F N -2.000 117.981 119.950 0.051 0.000 2.711 298 F HA 0.876 5.403 4.527 -0.000 0.000 0.313 298 F C -0.182 175.564 175.800 -0.091 0.000 1.141 298 F CA -0.783 57.221 58.000 0.007 0.000 0.941 298 F CB 1.272 40.193 39.000 -0.132 0.000 1.349 298 F HN 0.671 nan 8.300 nan 0.000 0.464 299 G N -0.582 107.993 108.800 -0.375 0.000 2.336 299 G HA2 0.480 4.440 3.960 -0.000 0.000 0.286 299 G HA3 0.480 4.440 3.960 -0.000 0.000 0.286 299 G C -1.775 172.923 174.900 -0.337 0.000 1.269 299 G CA -0.252 44.260 45.100 -0.980 0.000 0.873 299 G HN 1.887 nan 8.290 nan 0.000 0.494 300 c N -2.561 115.851 118.600 -0.314 0.000 3.306 300 c HA 0.950 5.520 4.570 -0.000 0.000 0.335 300 c C -0.429 173.687 174.090 0.043 0.000 1.382 300 c CA -0.444 55.826 56.329 -0.100 0.000 1.254 300 c CB 1.305 43.743 42.510 -0.120 0.000 1.555 300 c HN 1.190 nan 8.230 nan 0.000 0.463 301 T N 0.865 115.459 114.554 0.066 0.000 2.933 301 T HA 0.850 5.200 4.350 -0.000 0.000 0.305 301 T C -1.154 173.615 174.700 0.114 0.000 1.092 301 T CA -0.402 61.761 62.100 0.106 0.000 1.008 301 T CB 1.615 70.500 68.868 0.028 0.000 1.102 301 T HN 0.997 nan 8.240 nan 0.000 0.469 302 R N 1.350 121.945 120.500 0.158 0.000 2.579 302 R HA 0.554 4.893 4.340 -0.000 0.000 0.260 302 R C -0.770 175.584 176.300 0.090 0.000 1.103 302 R CA 0.193 56.356 56.100 0.106 0.000 0.942 302 R CB 0.934 31.291 30.300 0.095 0.000 1.251 302 R HN 1.012 nan 8.270 nan 0.000 0.450 303 A N 2.325 125.169 122.820 0.040 0.000 2.791 303 A HA -0.088 4.232 4.320 -0.000 0.000 0.292 303 A C 1.031 178.621 177.584 0.011 0.000 1.487 303 A CA 1.697 53.748 52.037 0.024 0.000 0.760 303 A CB -2.218 16.800 19.000 0.030 0.000 1.031 303 A HN 2.227 nan 8.150 nan 0.000 0.503 304 G N -3.526 105.273 108.800 -0.002 0.000 2.143 304 G HA2 0.069 4.029 3.960 -0.000 0.000 0.248 304 G HA3 0.069 4.029 3.960 -0.000 0.000 0.248 304 G C 0.203 175.070 174.900 -0.055 0.000 0.991 304 G CA 0.574 45.661 45.100 -0.021 0.000 0.689 304 G HN 1.939 nan 8.290 nan 0.000 0.522 305 V N 0.395 120.261 119.914 -0.081 0.000 2.483 305 V HA 0.445 4.565 4.120 -0.000 0.000 0.297 305 V C 0.018 175.914 176.094 -0.331 0.000 1.027 305 V CA -1.028 61.128 62.300 -0.240 0.000 0.855 305 V CB 1.813 33.420 31.823 -0.359 0.000 0.995 305 V HN 0.380 nan 8.190 nan 0.000 0.424 306 E N 4.041 124.056 120.200 -0.309 0.000 2.194 306 E HA 0.390 4.740 4.350 -0.000 0.000 0.284 306 E C -1.586 174.803 176.600 -0.353 0.000 1.035 306 E CA -0.356 55.908 56.400 -0.226 0.000 0.836 306 E CB 1.068 30.703 29.700 -0.108 0.000 1.070 306 E HN 0.620 nan 8.360 nan 0.000 0.401 307 Y N 2.491 122.762 120.300 -0.049 0.000 2.417 307 Y HA 0.248 4.798 4.550 -0.000 0.000 0.336 307 Y C 0.925 176.739 175.900 -0.143 0.000 0.961 307 Y CA -0.614 57.474 58.100 -0.020 0.000 1.215 307 Y CB 0.760 39.236 38.460 0.027 0.000 1.120 307 Y HN 0.373 nan 8.280 nan 0.000 0.499 308 R N 1.878 122.453 120.500 0.125 0.000 2.487 308 R HA 0.267 4.607 4.340 -0.000 0.000 0.272 308 R C -0.450 176.076 176.300 0.377 0.000 0.928 308 R CA -0.093 56.064 56.100 0.095 0.000 1.077 308 R CB 0.655 31.006 30.300 0.085 0.000 1.265 308 R HN 0.586 nan 8.270 nan 0.000 0.537 309 L N 2.882 124.368 121.223 0.437 0.000 2.259 309 L HA 0.276 4.616 4.340 -0.000 0.000 0.288 309 L C -0.421 176.591 176.870 0.237 0.000 1.051 309 L CA -0.929 54.106 54.840 0.326 0.000 0.824 309 L CB 0.918 43.086 42.059 0.182 0.000 1.206 309 L HN -0.083 nan 8.230 nan 0.000 0.429 310 L N 4.358 125.616 121.223 0.058 0.000 2.455 310 L HA 0.012 4.352 4.340 -0.000 0.000 0.272 310 L C 0.931 177.667 176.870 -0.224 0.000 1.174 310 L CA 0.928 55.484 54.840 -0.474 0.000 0.869 310 L CB 0.602 42.480 42.059 -0.301 0.000 1.130 310 L HN 0.609 nan 8.230 nan 0.000 0.474 311 Q N 4.481 124.109 119.800 -0.285 0.000 2.471 311 Q HA 0.529 4.869 4.340 -0.000 0.000 0.241 311 Q C -0.110 175.832 176.000 -0.097 0.000 0.886 311 Q CA 0.813 56.533 55.803 -0.139 0.000 0.953 311 Q CB 0.709 29.388 28.738 -0.100 0.000 1.108 311 Q HN 0.777 nan 8.270 nan 0.000 0.575 312 A N -0.344 122.394 122.820 -0.137 0.000 2.567 312 A HA 0.803 5.123 4.320 -0.000 0.000 0.291 312 A C -1.742 175.769 177.584 -0.122 0.000 1.048 312 A CA 0.036 52.023 52.037 -0.083 0.000 0.661 312 A CB 0.882 19.858 19.000 -0.040 0.000 1.288 312 A HN 0.134 nan 8.150 nan 0.000 0.424 313 A N -0.467 122.223 122.820 -0.218 0.000 2.599 313 A HA 0.864 5.184 4.320 -0.000 0.000 0.290 313 A C -1.756 175.430 177.584 -0.665 0.000 1.101 313 A CA -0.299 51.558 52.037 -0.299 0.000 0.674 313 A CB 1.087 19.998 19.000 -0.148 0.000 1.277 313 A HN 2.242 nan 8.150 nan 0.000 0.419 314 Y N -0.121 119.889 120.300 -0.484 0.000 2.376 314 Y HA 0.513 5.063 4.550 -0.000 0.000 0.321 314 Y C -1.719 174.205 175.900 0.040 0.000 1.189 314 Y CA -0.538 57.389 58.100 -0.288 0.000 1.069 314 Y CB 1.335 39.752 38.460 -0.071 0.000 1.292 314 Y HN 0.896 nan 8.280 nan 0.000 0.430 315 L N 5.683 126.778 121.223 -0.213 0.000 2.305 315 L HA 0.896 5.235 4.340 -0.000 0.000 0.281 315 L C -0.555 176.331 176.870 0.026 0.000 1.085 315 L CA 0.442 55.170 54.840 -0.187 0.000 0.813 315 L CB 0.587 42.386 42.059 -0.434 0.000 1.157 315 L HN 0.756 nan 8.230 nan 0.000 0.436 316 A N 3.955 126.952 122.820 0.295 0.000 2.533 316 A HA 0.796 5.115 4.320 -0.000 0.000 0.293 316 A C -1.251 176.527 177.584 0.324 0.000 1.228 316 A CA -0.824 51.444 52.037 0.385 0.000 0.689 316 A CB 1.047 20.367 19.000 0.534 0.000 1.303 316 A HN 0.416 nan 8.150 nan 0.000 0.444 317 K N 0.226 120.797 120.400 0.284 0.000 2.087 317 K HA 0.478 4.798 4.320 -0.000 0.000 0.255 317 K C -2.014 174.761 176.600 0.291 0.000 0.988 317 K CA -2.296 54.121 56.287 0.218 0.000 0.915 317 K CB 0.600 33.181 32.500 0.134 0.000 1.043 317 K HN 0.275 nan 8.250 nan 0.000 0.457 318 P HA -0.032 nan 4.420 nan 0.000 0.217 318 P C -0.058 177.358 177.300 0.194 0.000 1.154 318 P CA 0.677 63.931 63.100 0.257 0.000 0.841 318 P CB 0.200 32.013 31.700 0.189 0.000 0.788 319 G N 0.053 108.908 108.800 0.092 0.000 2.733 319 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.686 319 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.686 319 G C 0.559 175.439 174.900 -0.034 0.000 1.373 319 G CA -0.276 44.827 45.100 0.005 0.000 0.838 319 G HN 0.049 nan 8.290 nan 0.000 0.588 320 E N 0.312 120.443 120.200 -0.114 0.000 2.058 320 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 320 E C 2.977 179.515 176.600 -0.104 0.000 0.997 320 E CA 2.126 58.453 56.400 -0.121 0.000 0.801 320 E CB -0.614 28.973 29.700 -0.189 0.000 0.746 320 E HN 1.063 nan 8.360 nan 0.000 0.450 321 A N 1.033 123.783 122.820 -0.117 0.000 1.902 321 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 321 A C 2.399 179.907 177.584 -0.127 0.000 1.181 321 A CA 1.085 53.061 52.037 -0.102 0.000 0.623 321 A CB -0.630 18.326 19.000 -0.073 0.000 0.818 321 A HN 0.180 nan 8.150 nan 0.000 0.443 322 L N -1.043 120.109 121.223 -0.118 0.000 2.109 322 L HA -0.104 4.235 4.340 -0.000 0.000 0.207 322 L C 3.085 179.863 176.870 -0.153 0.000 1.086 322 L CA 0.771 55.465 54.840 -0.244 0.000 0.760 322 L CB -0.524 41.480 42.059 -0.091 0.000 0.910 322 L HN 0.445 nan 8.230 nan 0.000 0.437 323 A N -0.298 122.517 122.820 -0.009 0.000 1.908 323 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 323 A C 2.256 179.851 177.584 0.018 0.000 1.181 323 A CA 2.066 54.133 52.037 0.051 0.000 0.627 323 A CB -0.567 18.451 19.000 0.029 0.000 0.818 323 A HN 0.491 nan 8.150 nan 0.000 0.445 324 Q N -0.807 118.969 119.800 -0.040 0.000 2.049 324 Q HA -0.063 4.276 4.340 -0.000 0.000 0.198 324 Q C 2.235 178.198 176.000 -0.062 0.000 0.971 324 Q CA 1.354 57.133 55.803 -0.041 0.000 0.833 324 Q CB -0.334 28.371 28.738 -0.055 0.000 0.896 324 Q HN 0.590 nan 8.270 nan 0.000 0.434 325 A N 0.036 122.761 122.820 -0.159 0.000 1.940 325 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 325 A C 1.407 178.887 177.584 -0.175 0.000 1.176 325 A CA 1.260 53.147 52.037 -0.249 0.000 0.631 325 A CB -0.546 18.173 19.000 -0.469 0.000 0.814 325 A HN 0.476 nan 8.150 nan 0.000 0.446 326 F N -0.467 119.474 119.950 -0.015 0.000 2.727 326 F HA 0.194 4.721 4.527 -0.000 0.000 0.302 326 F C 1.047 176.842 175.800 -0.008 0.000 1.097 326 F CA -0.245 57.745 58.000 -0.017 0.000 1.330 326 F CB -0.614 38.371 39.000 -0.024 0.000 1.084 326 F HN 0.516 nan 8.300 nan 0.000 0.578 327 N N 2.057 120.845 118.700 0.146 0.000 2.727 327 N HA -0.223 4.517 4.740 -0.000 0.000 0.251 327 N C -0.727 174.839 175.510 0.092 0.000 1.040 327 N CA 0.683 53.787 53.050 0.090 0.000 0.712 327 N CB -1.221 37.310 38.487 0.074 0.000 0.912 327 N HN 0.511 nan 8.380 nan 0.000 0.545 328 I N -3.062 117.568 120.570 0.101 0.000 3.074 328 I HA 0.505 4.675 4.170 -0.000 0.000 0.310 328 I C 0.278 176.432 176.117 0.062 0.000 1.153 328 I CA -1.006 60.343 61.300 0.081 0.000 0.993 328 I CB 1.866 39.923 38.000 0.094 0.000 1.237 328 I HN 0.091 nan 8.210 nan 0.000 0.443 329 S N 1.576 117.306 115.700 0.049 0.000 2.572 329 S HA 0.086 4.556 4.470 -0.000 0.000 0.279 329 S C 1.317 175.943 174.600 0.042 0.000 1.341 329 S CA 0.223 58.445 58.200 0.037 0.000 1.043 329 S CB 0.877 64.096 63.200 0.032 0.000 0.887 329 S HN 0.921 nan 8.310 nan 0.000 0.516 330 S N 1.698 117.415 115.700 0.028 0.000 2.547 330 S HA -0.088 4.382 4.470 -0.000 0.000 0.235 330 S C 0.644 175.267 174.600 0.038 0.000 0.980 330 S CA 0.939 59.156 58.200 0.028 0.000 0.941 330 S CB -0.405 62.795 63.200 0.000 0.000 0.763 330 S HN 0.869 nan 8.310 nan 0.000 0.532 331 D N -0.019 120.403 120.400 0.038 0.000 2.538 331 D HA 0.206 4.846 4.640 -0.000 0.000 0.231 331 D C 0.011 176.340 176.300 0.050 0.000 1.229 331 D CA -0.408 53.618 54.000 0.042 0.000 0.828 331 D CB -0.310 40.508 40.800 0.031 0.000 1.035 331 D HN 0.447 nan 8.370 nan 0.000 0.495 332 E N 0.419 120.652 120.200 0.054 0.000 2.314 332 E HA 0.208 4.558 4.350 -0.000 0.000 0.262 332 E C -0.557 176.074 176.600 0.053 0.000 1.093 332 E CA -0.651 55.780 56.400 0.051 0.000 0.908 332 E CB 0.954 30.682 29.700 0.047 0.000 1.091 332 E HN 0.095 nan 8.360 nan 0.000 0.425 333 D N 0.835 121.254 120.400 0.032 0.000 2.255 333 D HA 0.254 4.894 4.640 -0.000 0.000 0.249 333 D C -0.755 175.523 176.300 -0.036 0.000 1.078 333 D CA -0.165 53.840 54.000 0.009 0.000 0.896 333 D CB 1.562 42.352 40.800 -0.017 0.000 1.194 333 D HN -0.030 nan 8.370 nan 0.000 0.429 334 V N 2.539 122.439 119.914 -0.023 0.000 2.588 334 V HA 0.233 4.353 4.120 -0.000 0.000 0.304 334 V C -0.337 175.644 176.094 -0.188 0.000 1.042 334 V CA -0.993 61.221 62.300 -0.143 0.000 0.877 334 V CB 2.020 33.737 31.823 -0.177 0.000 0.996 334 V HN 0.319 nan 8.190 nan 0.000 0.425 335 L N 5.509 126.600 121.223 -0.221 0.000 2.261 335 L HA 0.582 4.922 4.340 -0.000 0.000 0.289 335 L C -0.914 175.943 176.870 -0.022 0.000 1.059 335 L CA 0.445 55.218 54.840 -0.110 0.000 0.816 335 L CB 0.127 42.157 42.059 -0.047 0.000 1.191 335 L HN 0.447 nan 8.230 nan 0.000 0.431 336 F N 4.906 124.959 119.950 0.171 0.000 2.410 336 F HA 0.713 5.240 4.527 -0.000 0.000 0.349 336 F C 0.614 176.525 175.800 0.185 0.000 1.117 336 F CA -0.116 58.008 58.000 0.207 0.000 1.104 336 F CB 1.405 40.516 39.000 0.185 0.000 1.122 336 F HN 0.650 nan 8.300 nan 0.000 0.483 337 A N 4.332 127.381 122.820 0.382 0.000 2.449 337 A HA 0.807 5.127 4.320 -0.000 0.000 0.302 337 A C -1.268 176.420 177.584 0.174 0.000 1.048 337 A CA -0.679 51.505 52.037 0.247 0.000 0.708 337 A CB 1.193 20.413 19.000 0.367 0.000 1.274 337 A HN 0.514 nan 8.150 nan 0.000 0.410 338 I N 1.553 122.109 120.570 -0.024 0.000 2.359 338 I HA 0.480 4.650 4.170 -0.000 0.000 0.294 338 I C -0.996 174.983 176.117 -0.229 0.000 0.987 338 I CA -0.298 60.985 61.300 -0.028 0.000 1.225 338 I CB 0.467 38.453 38.000 -0.023 0.000 1.366 338 I HN 0.517 nan 8.210 nan 0.000 0.466 339 F N 2.796 122.758 119.950 0.020 0.000 2.551 339 F HA 0.406 4.933 4.527 -0.000 0.000 0.316 339 F C 0.697 176.569 175.800 0.120 0.000 1.089 339 F CA -0.473 57.560 58.000 0.054 0.000 0.915 339 F CB 2.052 41.099 39.000 0.078 0.000 1.186 339 F HN 0.280 nan 8.300 nan 0.000 0.456 340 S N 1.560 117.455 115.700 0.324 0.000 2.616 340 S HA 0.261 4.731 4.470 -0.000 0.000 0.277 340 S C -0.403 174.422 174.600 0.374 0.000 1.234 340 S CA -0.909 57.476 58.200 0.309 0.000 1.028 340 S CB 1.116 64.405 63.200 0.148 0.000 0.988 340 S HN 0.564 nan 8.310 nan 0.000 0.522 341 K N 1.375 121.953 120.400 0.297 0.000 2.524 341 K HA 0.298 4.618 4.320 -0.000 0.000 0.279 341 K C 0.706 177.324 176.600 0.030 0.000 0.993 341 K CA 0.871 57.144 56.287 -0.024 0.000 1.030 341 K CB -0.488 31.946 32.500 -0.109 0.000 0.891 341 K HN 0.845 nan 8.250 nan 0.000 0.488 342 G N 2.803 111.598 108.800 -0.009 0.000 2.681 342 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.220 342 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.220 342 G C -0.318 174.676 174.900 0.157 0.000 1.353 342 G CA 0.155 45.298 45.100 0.072 0.000 0.872 342 G HN 0.699 nan 8.290 nan 0.000 0.557 343 Q N -0.375 119.570 119.800 0.241 0.000 2.084 343 Q HA 0.288 4.628 4.340 -0.000 0.000 0.230 343 Q C 0.399 176.632 176.000 0.389 0.000 0.806 343 Q CA 0.018 56.021 55.803 0.334 0.000 1.083 343 Q CB 1.171 30.145 28.738 0.394 0.000 1.208 343 Q HN 0.513 nan 8.270 nan 0.000 0.462 344 K N 0.433 120.978 120.400 0.240 0.000 2.378 344 K HA 0.394 4.713 4.320 -0.000 0.000 0.244 344 K C -0.497 176.155 176.600 0.086 0.000 1.039 344 K CA -0.901 55.488 56.287 0.170 0.000 0.863 344 K CB 1.430 33.931 32.500 0.002 0.000 1.326 344 K HN -0.049 nan 8.250 nan 0.000 0.460 345 Q N 0.156 120.001 119.800 0.075 0.000 2.470 345 Q HA -0.264 4.076 4.340 -0.000 0.000 0.294 345 Q C 0.149 176.075 176.000 -0.122 0.000 1.356 345 Q CA 0.546 56.366 55.803 0.028 0.000 0.805 345 Q CB -1.941 26.822 28.738 0.042 0.000 1.157 345 Q HN 0.726 nan 8.270 nan 0.000 0.431 346 Y N -0.389 119.607 120.300 -0.505 0.000 2.207 346 Y HA -0.271 4.279 4.550 -0.000 0.000 0.287 346 Y C 1.762 177.282 175.900 -0.635 0.000 1.156 346 Y CA 2.627 60.251 58.100 -0.793 0.000 1.182 346 Y CB -0.003 37.488 38.460 -1.615 0.000 0.979 346 Y HN 0.452 nan 8.280 nan 0.000 0.521 347 H N -2.250 116.523 119.070 -0.495 0.000 2.502 347 H HA 0.104 4.660 4.556 -0.000 0.000 0.283 347 H C -0.035 174.754 175.328 -0.898 0.000 1.015 347 H CA 1.333 56.962 56.048 -0.698 0.000 1.298 347 H CB 0.045 29.562 29.762 -0.408 0.000 1.411 347 H HN 0.398 nan 8.280 nan 0.000 0.556 348 H N 0.048 119.049 119.070 -0.116 0.000 2.448 348 H HA 0.197 4.753 4.556 -0.000 0.000 0.237 348 H C -2.533 172.739 175.328 -0.094 0.000 1.391 348 H CA -2.126 53.866 56.048 -0.094 0.000 1.477 348 H CB 0.595 30.335 29.762 -0.037 0.000 1.520 348 H HN 0.154 nan 8.280 nan 0.000 0.502 349 P HA 0.030 nan 4.420 nan 0.000 0.266 349 P C -2.503 174.807 177.300 0.017 0.000 1.195 349 P CA -1.233 61.836 63.100 -0.051 0.000 0.768 349 P CB 0.596 32.239 31.700 -0.094 0.000 0.838 350 P HA -0.027 nan 4.420 nan 0.000 0.267 350 P C 0.747 178.085 177.300 0.063 0.000 1.201 350 P CA 0.391 63.523 63.100 0.053 0.000 0.775 350 P CB 0.301 32.037 31.700 0.060 0.000 0.854 351 D N -0.043 120.392 120.400 0.058 0.000 2.144 351 D HA -0.119 4.521 4.640 -0.000 0.000 0.200 351 D C 0.373 176.725 176.300 0.087 0.000 0.978 351 D CA 1.273 55.310 54.000 0.061 0.000 0.833 351 D CB -0.355 40.474 40.800 0.048 0.000 0.961 351 D HN 0.439 nan 8.370 nan 0.000 0.470 352 D N 0.901 121.365 120.400 0.107 0.000 2.368 352 D HA 0.037 4.677 4.640 -0.000 0.000 0.268 352 D C -0.491 175.989 176.300 0.300 0.000 1.298 352 D CA 0.215 54.318 54.000 0.171 0.000 0.938 352 D CB 0.180 41.067 40.800 0.146 0.000 1.101 352 D HN -0.021 nan 8.370 nan 0.000 0.509 353 S N 1.626 117.455 115.700 0.215 0.000 2.618 353 S HA 0.915 5.385 4.470 -0.000 0.000 0.277 353 S C -0.949 173.521 174.600 -0.217 0.000 1.138 353 S CA -1.017 57.251 58.200 0.113 0.000 0.844 353 S CB 1.897 65.153 63.200 0.093 0.000 1.127 353 S HN 0.532 nan 8.310 nan 0.000 0.474 354 A N 0.485 123.107 122.820 -0.329 0.000 2.475 354 A HA 0.791 5.111 4.320 -0.000 0.000 0.301 354 A C -1.489 176.059 177.584 -0.060 0.000 1.059 354 A CA -0.738 51.039 52.037 -0.433 0.000 0.710 354 A CB 1.488 19.840 19.000 -1.080 0.000 1.288 354 A HN 1.281 nan 8.150 nan 0.000 0.408 355 L N 1.750 123.000 121.223 0.044 0.000 2.287 355 L HA 0.749 5.089 4.340 -0.000 0.000 0.287 355 L C -0.771 176.187 176.870 0.145 0.000 1.022 355 L CA -0.110 54.822 54.840 0.153 0.000 0.814 355 L CB 0.551 42.733 42.059 0.206 0.000 1.217 355 L HN 0.709 nan 8.230 nan 0.000 0.420 356 c N 3.490 122.209 118.600 0.197 0.000 2.719 356 c HA 0.971 5.541 4.570 -0.000 0.000 0.327 356 c C 0.088 174.215 174.090 0.061 0.000 1.238 356 c CA -0.684 55.696 56.329 0.085 0.000 1.727 356 c CB 1.361 43.902 42.510 0.051 0.000 2.256 356 c HN 1.014 nan 8.230 nan 0.000 0.489 357 A N 0.931 123.634 122.820 -0.195 0.000 2.356 357 A HA 0.887 5.207 4.320 -0.000 0.000 0.310 357 A C -1.381 175.904 177.584 -0.498 0.000 1.075 357 A CA -0.239 51.640 52.037 -0.264 0.000 0.746 357 A CB 0.491 19.399 19.000 -0.153 0.000 1.221 357 A HN 0.708 nan 8.150 nan 0.000 0.443 358 F N 3.595 123.408 119.950 -0.227 0.000 2.496 358 F HA 0.427 4.954 4.527 -0.000 0.000 0.341 358 F C -2.227 173.324 175.800 -0.416 0.000 1.134 358 F CA -2.170 55.674 58.000 -0.260 0.000 0.968 358 F CB 2.462 41.448 39.000 -0.024 0.000 1.205 358 F HN 0.319 nan 8.300 nan 0.000 0.436 359 P HA 0.062 nan 4.420 nan 0.000 0.271 359 P C 0.901 178.085 177.300 -0.193 0.000 1.220 359 P CA -0.212 62.633 63.100 -0.424 0.000 0.768 359 P CB 1.154 32.474 31.700 -0.633 0.000 0.848 360 I N 3.120 123.606 120.570 -0.139 0.000 2.248 360 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 360 I C 2.536 178.616 176.117 -0.062 0.000 1.107 360 I CA 1.589 62.822 61.300 -0.111 0.000 1.373 360 I CB -1.306 36.639 38.000 -0.091 0.000 1.055 360 I HN 0.544 nan 8.210 nan 0.000 0.418 361 R N 1.216 121.686 120.500 -0.050 0.000 2.073 361 R HA -0.156 4.184 4.340 -0.000 0.000 0.234 361 R C 2.326 178.608 176.300 -0.030 0.000 1.134 361 R CA 1.800 57.888 56.100 -0.019 0.000 0.952 361 R CB -0.190 30.106 30.300 -0.007 0.000 0.850 361 R HN 0.297 nan 8.270 nan 0.000 0.433 362 A N 0.855 123.636 122.820 -0.066 0.000 1.972 362 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 362 A C 2.115 179.692 177.584 -0.012 0.000 1.169 362 A CA 1.304 53.313 52.037 -0.046 0.000 0.635 362 A CB -0.411 18.531 19.000 -0.097 0.000 0.810 362 A HN 0.392 nan 8.150 nan 0.000 0.446 363 I N -0.131 120.429 120.570 -0.017 0.000 2.163 363 I HA -0.228 3.942 4.170 -0.000 0.000 0.240 363 I C 2.098 178.202 176.117 -0.022 0.000 1.081 363 I CA 1.126 62.421 61.300 -0.008 0.000 1.353 363 I CB -0.438 37.543 38.000 -0.032 0.000 1.054 363 I HN 0.262 nan 8.210 nan 0.000 0.407 364 N N 0.835 119.518 118.700 -0.030 0.000 2.149 364 N HA -0.192 4.548 4.740 -0.000 0.000 0.188 364 N C 1.775 177.257 175.510 -0.046 0.000 1.019 364 N CA 1.208 54.215 53.050 -0.071 0.000 0.857 364 N CB -0.506 37.948 38.487 -0.054 0.000 0.997 364 N HN 0.204 nan 8.380 nan 0.000 0.426 365 L N 1.517 122.730 121.223 -0.016 0.000 2.017 365 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 365 L C 2.287 179.156 176.870 -0.002 0.000 1.073 365 L CA 1.707 56.545 54.840 -0.003 0.000 0.745 365 L CB -0.898 41.165 42.059 0.006 0.000 0.894 365 L HN 0.186 nan 8.230 nan 0.000 0.432 366 Q N -0.793 119.008 119.800 0.002 0.000 2.224 366 Q HA -0.164 4.175 4.340 -0.000 0.000 0.203 366 Q C 2.182 178.183 176.000 0.001 0.000 0.970 366 Q CA 1.706 57.517 55.803 0.012 0.000 0.865 366 Q CB -0.128 28.626 28.738 0.028 0.000 0.922 366 Q HN 0.661 nan 8.270 nan 0.000 0.445 367 I N 0.512 121.068 120.570 -0.023 0.000 2.286 367 I HA -0.256 3.913 4.170 -0.000 0.000 0.245 367 I C 2.538 178.642 176.117 -0.023 0.000 1.104 367 I CA 1.127 62.405 61.300 -0.038 0.000 1.397 367 I CB -0.310 37.631 38.000 -0.099 0.000 1.072 367 I HN 0.216 nan 8.210 nan 0.000 0.417 368 K N 1.448 121.831 120.400 -0.027 0.000 2.026 368 K HA -0.236 4.084 4.320 -0.000 0.000 0.208 368 K C 1.872 178.460 176.600 -0.020 0.000 1.048 368 K CA 1.780 58.053 56.287 -0.024 0.000 0.929 368 K CB -0.088 32.402 32.500 -0.015 0.000 0.713 368 K HN 0.322 nan 8.250 nan 0.000 0.439 369 E N -0.047 120.152 120.200 -0.001 0.000 2.160 369 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 369 E C 2.144 178.758 176.600 0.024 0.000 0.991 369 E CA 1.026 57.435 56.400 0.016 0.000 0.810 369 E CB -0.013 29.702 29.700 0.024 0.000 0.742 369 E HN 0.164 nan 8.360 nan 0.000 0.466 370 R N 1.101 121.614 120.500 0.021 0.000 2.062 370 R HA -0.087 4.253 4.340 -0.000 0.000 0.231 370 R C 2.107 178.432 176.300 0.040 0.000 1.136 370 R CA 1.222 57.342 56.100 0.034 0.000 0.948 370 R CB -0.641 29.678 30.300 0.033 0.000 0.845 370 R HN 0.122 nan 8.270 nan 0.000 0.430 371 L N 0.409 121.651 121.223 0.031 0.000 2.013 371 L HA -0.276 4.064 4.340 -0.000 0.000 0.212 371 L C 2.683 179.551 176.870 -0.004 0.000 1.073 371 L CA 1.982 56.846 54.840 0.040 0.000 0.753 371 L CB -0.608 41.419 42.059 -0.053 0.000 0.890 371 L HN 0.355 nan 8.230 nan 0.000 0.432 372 Q N -0.434 119.314 119.800 -0.086 0.000 2.061 372 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 372 Q C 2.470 178.407 176.000 -0.104 0.000 0.984 372 Q CA 2.105 57.809 55.803 -0.164 0.000 0.846 372 Q CB -0.233 28.468 28.738 -0.062 0.000 0.902 372 Q HN 0.633 nan 8.270 nan 0.000 0.421 373 S N -0.376 115.366 115.700 0.070 0.000 2.402 373 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 373 S C 2.156 176.811 174.600 0.091 0.000 1.021 373 S CA 0.991 59.286 58.200 0.158 0.000 0.974 373 S CB -0.587 62.679 63.200 0.110 0.000 0.800 373 S HN 0.515 nan 8.310 nan 0.000 0.484 374 c N 0.645 119.272 118.600 0.044 0.000 2.453 374 c HA 0.131 4.701 4.570 -0.000 0.000 0.277 374 c C 2.096 176.143 174.090 -0.072 0.000 1.262 374 c CA 0.431 56.757 56.329 -0.005 0.000 1.718 374 c CB -1.643 40.866 42.510 -0.001 0.000 2.031 374 c HN 0.677 nan 8.230 nan 0.000 0.480 375 Y N -0.159 120.041 120.300 -0.168 0.000 2.619 375 Y HA -0.003 4.547 4.550 -0.000 0.000 0.308 375 Y C 2.010 177.766 175.900 -0.241 0.000 1.192 375 Y CA 1.280 59.251 58.100 -0.215 0.000 1.319 375 Y CB -0.615 37.656 38.460 -0.316 0.000 1.030 375 Y HN 0.638 nan 8.280 nan 0.000 0.517 376 H N -2.152 116.955 119.070 0.060 0.000 2.652 376 H HA 0.290 4.846 4.556 -0.000 0.000 0.274 376 H C 1.756 177.083 175.328 -0.002 0.000 1.021 376 H CA 0.296 56.360 56.048 0.027 0.000 1.187 376 H CB 0.710 30.484 29.762 0.020 0.000 1.505 376 H HN 0.252 nan 8.280 nan 0.000 0.530 377 G N 1.280 110.119 108.800 0.066 0.000 2.131 377 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.223 377 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.223 377 G C -0.276 174.634 174.900 0.018 0.000 0.990 377 G CA -0.304 44.804 45.100 0.014 0.000 0.671 377 G HN 0.442 nan 8.290 nan 0.000 0.521 378 E N 0.448 120.672 120.200 0.038 0.000 2.130 378 E HA 0.505 4.855 4.350 -0.000 0.000 0.284 378 E C 1.066 177.674 176.600 0.014 0.000 1.018 378 E CA 0.125 56.544 56.400 0.032 0.000 0.817 378 E CB 1.182 30.915 29.700 0.054 0.000 1.078 378 E HN 1.387 nan 8.360 nan 0.000 0.396 379 G N 3.985 112.788 108.800 0.005 0.000 2.593 379 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.237 379 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.237 379 G C -0.440 174.454 174.900 -0.010 0.000 1.312 379 G CA -0.635 44.466 45.100 0.001 0.000 0.896 379 G HN 0.546 nan 8.290 nan 0.000 0.574 380 N N -0.660 118.036 118.700 -0.007 0.000 2.531 380 N HA 0.597 5.337 4.740 -0.000 0.000 0.290 380 N C 1.630 177.133 175.510 -0.011 0.000 1.257 380 N CA -0.528 52.512 53.050 -0.016 0.000 0.863 380 N CB 1.369 39.848 38.487 -0.013 0.000 1.320 380 N HN 0.398 nan 8.380 nan 0.000 0.538 381 L N 0.594 121.805 121.223 -0.020 0.000 2.093 381 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 381 L C -0.079 176.799 176.870 0.014 0.000 1.085 381 L CA 0.924 55.758 54.840 -0.008 0.000 0.755 381 L CB -0.421 41.622 42.059 -0.027 0.000 0.904 381 L HN 0.595 nan 8.230 nan 0.000 0.435 382 E N 0.164 120.368 120.200 0.006 0.000 2.257 382 E HA -0.219 4.131 4.350 -0.000 0.000 0.217 382 E C -0.454 176.177 176.600 0.053 0.000 1.248 382 E CA 0.059 56.476 56.400 0.029 0.000 0.691 382 E CB -1.280 28.446 29.700 0.044 0.000 1.185 382 E HN 0.122 nan 8.360 nan 0.000 0.377 383 L N 1.144 122.373 121.223 0.009 0.000 2.511 383 L HA 0.281 4.621 4.340 -0.000 0.000 0.252 383 L C 0.561 177.347 176.870 -0.139 0.000 1.542 383 L CA -0.307 54.529 54.840 -0.006 0.000 0.822 383 L CB 0.677 42.705 42.059 -0.051 0.000 1.050 383 L HN 0.029 nan 8.230 nan 0.000 0.516 384 N N 1.261 119.957 118.700 -0.006 0.000 2.104 384 N HA -0.234 4.506 4.740 -0.000 0.000 0.190 384 N C 1.591 177.059 175.510 -0.069 0.000 1.024 384 N CA 2.020 55.052 53.050 -0.030 0.000 0.853 384 N CB -0.254 38.257 38.487 0.039 0.000 1.008 384 N HN 0.813 nan 8.380 nan 0.000 0.424 385 W N 0.562 121.833 121.300 -0.048 0.000 2.392 385 W HA -0.032 4.628 4.660 -0.000 0.000 0.279 385 W C 1.210 177.648 176.519 -0.135 0.000 1.225 385 W CA 0.202 57.452 57.345 -0.159 0.000 1.233 385 W CB -0.785 28.611 29.460 -0.106 0.000 1.122 385 W HN 0.024 nan 8.180 nan 0.000 0.561 386 L N 0.994 121.601 121.223 -1.026 0.000 2.347 386 L HA 0.221 4.561 4.340 -0.000 0.000 0.196 386 L C 2.524 179.091 176.870 -0.505 0.000 1.072 386 L CA 1.170 55.387 54.840 -1.038 0.000 0.817 386 L CB -1.109 39.992 42.059 -1.598 0.000 1.029 386 L HN -0.156 nan 8.230 nan 0.000 0.478 387 L N -0.393 120.582 121.223 -0.414 0.000 2.275 387 L HA 0.087 4.427 4.340 -0.000 0.000 0.215 387 L C 1.898 178.662 176.870 -0.175 0.000 1.119 387 L CA 0.942 55.636 54.840 -0.242 0.000 0.790 387 L CB -0.896 41.052 42.059 -0.186 0.000 0.919 387 L HN 0.603 nan 8.230 nan 0.000 0.443 388 G N 0.597 109.293 108.800 -0.173 0.000 2.377 388 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.250 388 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.250 388 G C 0.434 175.286 174.900 -0.080 0.000 1.039 388 G CA 0.949 45.979 45.100 -0.115 0.000 0.625 388 G HN 0.509 nan 8.290 nan 0.000 0.526 389 K N -0.748 119.604 120.400 -0.080 0.000 2.250 389 K HA 0.652 4.972 4.320 -0.000 0.000 0.261 389 K C -1.814 174.755 176.600 -0.051 0.000 1.047 389 K CA -1.028 55.225 56.287 -0.056 0.000 0.884 389 K CB 0.833 33.301 32.500 -0.054 0.000 1.476 389 K HN -0.100 nan 8.250 nan 0.000 0.445 390 D N 1.119 121.496 120.400 -0.038 0.000 2.325 390 D HA 0.290 4.930 4.640 -0.000 0.000 0.251 390 D C -1.099 175.176 176.300 -0.042 0.000 1.196 390 D CA -0.108 53.872 54.000 -0.033 0.000 0.866 390 D CB 1.255 42.041 40.800 -0.023 0.000 1.101 390 D HN 0.288 nan 8.370 nan 0.000 0.476 391 V N 3.980 123.866 119.914 -0.046 0.000 2.487 391 V HA 0.220 4.339 4.120 -0.000 0.000 0.298 391 V C 0.236 176.301 176.094 -0.049 0.000 1.028 391 V CA -0.893 61.376 62.300 -0.053 0.000 0.860 391 V CB 1.752 33.535 31.823 -0.067 0.000 0.991 391 V HN 0.366 nan 8.190 nan 0.000 0.427 392 Q N 1.978 121.748 119.800 -0.049 0.000 2.288 392 Q HA 0.296 4.636 4.340 -0.000 0.000 0.254 392 Q C -0.281 175.679 176.000 -0.067 0.000 0.932 392 Q CA -0.447 55.327 55.803 -0.048 0.000 0.902 392 Q CB 1.333 30.047 28.738 -0.041 0.000 1.203 392 Q HN 0.784 nan 8.270 nan 0.000 0.415 393 c N 2.410 120.969 118.600 -0.068 0.000 2.634 393 c HA 0.062 4.632 4.570 -0.000 0.000 0.417 393 c C 0.700 174.718 174.090 -0.119 0.000 1.334 393 c CA 0.106 56.372 56.329 -0.105 0.000 1.829 393 c CB -0.232 42.226 42.510 -0.086 0.000 2.665 393 c HN 0.615 nan 8.230 nan 0.000 0.614 394 T N 4.094 118.536 114.554 -0.188 0.000 2.758 394 T HA 0.202 4.552 4.350 -0.000 0.000 0.285 394 T C -0.057 174.536 174.700 -0.178 0.000 0.981 394 T CA -0.356 61.647 62.100 -0.162 0.000 0.965 394 T CB 0.612 69.381 68.868 -0.165 0.000 0.927 394 T HN 0.653 nan 8.240 nan 0.000 0.448 395 K N 2.679 123.031 120.400 -0.080 0.000 2.416 395 K HA 0.496 4.816 4.320 -0.000 0.000 0.283 395 K C -0.730 175.869 176.600 -0.002 0.000 1.037 395 K CA -0.273 56.000 56.287 -0.023 0.000 0.995 395 K CB 0.189 32.703 32.500 0.025 0.000 0.938 395 K HN 0.715 nan 8.250 nan 0.000 0.475 396 A N 5.595 128.447 122.820 0.052 0.000 2.488 396 A HA 0.390 4.710 4.320 -0.000 0.000 0.295 396 A C -2.608 175.050 177.584 0.123 0.000 1.045 396 A CA -1.280 50.817 52.037 0.100 0.000 0.703 396 A CB 1.497 20.579 19.000 0.138 0.000 1.271 396 A HN 0.649 nan 8.150 nan 0.000 0.400 397 P HA 0.234 nan 4.420 nan 0.000 0.231 397 P C -0.614 176.704 177.300 0.030 0.000 1.756 397 P CA 0.258 63.393 63.100 0.058 0.000 0.990 397 P CB -0.275 31.455 31.700 0.051 0.000 1.973 398 V N 3.130 123.043 119.914 -0.001 0.000 2.398 398 V HA 0.331 4.451 4.120 -0.000 0.000 0.286 398 V C -2.095 173.872 176.094 -0.212 0.000 1.026 398 V CA -2.145 60.104 62.300 -0.085 0.000 0.868 398 V CB 1.453 33.203 31.823 -0.120 0.000 0.982 398 V HN 0.153 nan 8.190 nan 0.000 0.443 399 P HA 0.318 nan 4.420 nan 0.000 0.276 399 P C -0.699 176.442 177.300 -0.265 0.000 1.243 399 P CA -0.270 62.738 63.100 -0.153 0.000 0.768 399 P CB 0.363 32.028 31.700 -0.057 0.000 0.856 400 I N 3.208 123.571 120.570 -0.345 0.000 2.269 400 I HA 0.187 4.357 4.170 -0.000 0.000 0.293 400 I C 0.839 176.865 176.117 -0.151 0.000 1.106 400 I CA -0.426 60.604 61.300 -0.450 0.000 1.248 400 I CB -0.302 37.346 38.000 -0.586 0.000 1.444 400 I HN 0.360 nan 8.210 nan 0.000 0.497 401 D N 3.690 124.084 120.400 -0.010 0.000 2.384 401 D HA 0.023 4.663 4.640 -0.000 0.000 0.244 401 D C 1.056 177.421 176.300 0.108 0.000 1.251 401 D CA -0.008 54.031 54.000 0.065 0.000 0.961 401 D CB 1.216 42.081 40.800 0.107 0.000 1.116 401 D HN 0.356 nan 8.370 nan 0.000 0.484 402 D N -0.230 120.234 120.400 0.107 0.000 2.178 402 D HA -0.105 4.535 4.640 -0.000 0.000 0.201 402 D C 0.333 176.786 176.300 0.255 0.000 0.980 402 D CA 1.073 55.160 54.000 0.145 0.000 0.842 402 D CB -0.058 40.815 40.800 0.122 0.000 0.948 402 D HN 0.255 nan 8.370 nan 0.000 0.472 403 N N -0.595 118.236 118.700 0.218 0.000 2.458 403 N HA 0.106 4.846 4.740 -0.000 0.000 0.274 403 N C -0.811 174.812 175.510 0.189 0.000 1.242 403 N CA -0.374 52.803 53.050 0.211 0.000 0.904 403 N CB -0.031 38.484 38.487 0.045 0.000 1.206 403 N HN -0.003 nan 8.380 nan 0.000 0.510 404 F N 0.271 120.277 119.950 0.093 0.000 2.543 404 F HA 0.071 4.598 4.527 -0.000 0.000 0.375 404 F C 0.638 176.492 175.800 0.090 0.000 1.075 404 F CA -0.212 57.812 58.000 0.039 0.000 1.225 404 F CB 0.531 39.513 39.000 -0.030 0.000 1.099 404 F HN 0.115 nan 8.300 nan 0.000 0.561 405 c N 5.632 123.844 118.600 -0.647 0.000 2.863 405 c HA 0.588 5.158 4.570 -0.000 0.000 0.284 405 c C 0.626 174.389 174.090 -0.544 0.000 1.426 405 c CA 0.270 56.355 56.329 -0.407 0.000 1.782 405 c CB -1.596 40.790 42.510 -0.206 0.000 2.554 405 c HN 1.301 nan 8.230 nan 0.000 0.566 406 G N 0.853 108.884 108.800 -1.283 0.000 2.730 406 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.686 406 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.686 406 G C -1.042 173.717 174.900 -0.236 0.000 1.343 406 G CA -0.576 44.202 45.100 -0.537 0.000 0.826 406 G HN 0.307 nan 8.290 nan 0.000 0.582 407 L N -0.609 120.671 121.223 0.096 0.000 2.161 407 L HA 0.581 4.921 4.340 -0.000 0.000 0.248 407 L C 1.541 178.305 176.870 -0.177 0.000 1.088 407 L CA -0.287 54.604 54.840 0.085 0.000 0.987 407 L CB 1.217 43.413 42.059 0.229 0.000 1.563 407 L HN 0.750 nan 8.230 nan 0.000 0.472 408 D N 0.156 120.430 120.400 -0.209 0.000 2.117 408 D HA -0.040 4.600 4.640 -0.000 0.000 0.198 408 D C 0.731 176.900 176.300 -0.220 0.000 0.982 408 D CA 0.804 54.573 54.000 -0.384 0.000 0.828 408 D CB 0.012 40.724 40.800 -0.147 0.000 0.967 408 D HN 0.330 nan 8.370 nan 0.000 0.464 409 I N -2.827 117.691 120.570 -0.087 0.000 3.079 409 I HA 0.139 4.309 4.170 -0.000 0.000 0.295 409 I C 0.011 176.069 176.117 -0.099 0.000 1.094 409 I CA -0.744 60.497 61.300 -0.098 0.000 1.295 409 I CB 0.293 38.225 38.000 -0.113 0.000 1.443 409 I HN -0.113 nan 8.210 nan 0.000 0.607 410 N N 1.681 120.284 118.700 -0.161 0.000 2.716 410 N HA -0.246 4.493 4.740 -0.000 0.000 0.250 410 N C -0.931 174.581 175.510 0.004 0.000 1.033 410 N CA 1.408 54.367 53.050 -0.151 0.000 0.727 410 N CB -1.260 36.981 38.487 -0.410 0.000 0.950 410 N HN 0.854 nan 8.380 nan 0.000 0.541 411 Q N -2.289 117.508 119.800 -0.005 0.000 2.426 411 Q HA 0.686 5.026 4.340 -0.000 0.000 0.278 411 Q C -3.068 172.933 176.000 0.002 0.000 1.007 411 Q CA -1.324 54.511 55.803 0.052 0.000 0.850 411 Q CB 1.331 30.124 28.738 0.092 0.000 1.427 411 Q HN -0.099 nan 8.270 nan 0.000 0.391 412 P HA 0.308 nan 4.420 nan 0.000 0.272 412 P C -1.263 176.108 177.300 0.118 0.000 1.240 412 P CA -0.482 62.677 63.100 0.099 0.000 0.791 412 P CB 0.665 32.304 31.700 -0.102 0.000 0.978 413 L N 0.504 121.864 121.223 0.230 0.000 2.381 413 L HA 0.684 5.024 4.340 -0.000 0.000 0.274 413 L C 0.280 177.252 176.870 0.170 0.000 0.988 413 L CA -0.136 54.795 54.840 0.152 0.000 0.824 413 L CB 1.492 43.633 42.059 0.138 0.000 1.263 413 L HN 0.640 nan 8.230 nan 0.000 0.410 414 G N 2.089 110.964 108.800 0.125 0.000 3.019 414 G HA2 0.813 4.773 3.960 -0.000 0.000 0.152 414 G HA3 0.813 4.773 3.960 -0.000 0.000 0.152 414 G C -0.402 174.556 174.900 0.098 0.000 1.320 414 G CA -0.424 44.759 45.100 0.138 0.000 1.013 414 G HN 1.228 nan 8.290 nan 0.000 0.593 415 G N -2.556 106.302 108.800 0.097 0.000 2.352 415 G HA2 0.394 4.354 3.960 -0.000 0.000 0.305 415 G HA3 0.394 4.354 3.960 -0.000 0.000 0.305 415 G C -0.039 174.911 174.900 0.084 0.000 1.537 415 G CA 0.587 45.733 45.100 0.077 0.000 0.959 415 G HN 0.768 nan 8.290 nan 0.000 0.668 416 S N -0.954 114.786 115.700 0.068 0.000 2.527 416 S HA 0.186 4.656 4.470 -0.000 0.000 0.227 416 S C 1.522 176.160 174.600 0.064 0.000 1.059 416 S CA 1.056 59.296 58.200 0.066 0.000 0.919 416 S CB 0.245 63.474 63.200 0.050 0.000 0.805 416 S HN 1.518 nan 8.310 nan 0.000 0.500 417 T N 3.046 117.635 114.554 0.058 0.000 2.779 417 T HA 0.404 4.754 4.350 -0.000 0.000 0.296 417 T C -2.968 171.776 174.700 0.074 0.000 0.938 417 T CA -1.720 60.414 62.100 0.057 0.000 1.119 417 T CB 0.608 69.504 68.868 0.047 0.000 0.891 417 T HN -0.094 nan 8.240 nan 0.000 0.526 418 P HA 0.257 nan 4.420 nan 0.000 0.272 418 P C -0.487 176.895 177.300 0.138 0.000 1.223 418 P CA -0.667 62.505 63.100 0.119 0.000 0.784 418 P CB 0.514 32.275 31.700 0.102 0.000 0.923 419 V N 3.521 123.553 119.914 0.196 0.000 2.405 419 V HA 0.058 4.177 4.120 -0.000 0.000 0.264 419 V C 0.752 177.067 176.094 0.369 0.000 1.048 419 V CA 0.008 62.454 62.300 0.243 0.000 0.966 419 V CB -0.226 31.737 31.823 0.232 0.000 1.015 419 V HN 0.462 nan 8.190 nan 0.000 0.477 420 E N 3.774 124.121 120.200 0.245 0.000 2.229 420 E HA 0.389 4.738 4.350 -0.000 0.000 0.283 420 E C 0.450 177.086 176.600 0.059 0.000 1.030 420 E CA 0.019 56.519 56.400 0.167 0.000 0.836 420 E CB 2.025 31.764 29.700 0.064 0.000 1.068 420 E HN 0.775 nan 8.360 nan 0.000 0.401 421 G N 1.699 110.353 108.800 -0.244 0.000 2.502 421 G HA2 0.377 4.336 3.960 -0.000 0.000 0.305 421 G HA3 0.377 4.336 3.960 -0.000 0.000 0.305 421 G C -0.776 173.863 174.900 -0.435 0.000 1.190 421 G CA -0.617 43.849 45.100 -1.057 0.000 0.933 421 G HN 0.362 nan 8.290 nan 0.000 0.503 422 L N 0.655 121.689 121.223 -0.315 0.000 2.278 422 L HA 0.418 4.758 4.340 -0.000 0.000 0.287 422 L C 0.552 177.374 176.870 -0.081 0.000 1.072 422 L CA -0.226 54.576 54.840 -0.063 0.000 0.819 422 L CB 0.713 42.860 42.059 0.146 0.000 1.176 422 L HN 0.366 nan 8.230 nan 0.000 0.435 423 T N 6.961 121.484 114.554 -0.053 0.000 2.752 423 T HA 0.207 4.557 4.350 -0.000 0.000 0.295 423 T C 1.540 176.250 174.700 0.016 0.000 0.923 423 T CA -0.094 61.989 62.100 -0.029 0.000 1.112 423 T CB 0.395 69.247 68.868 -0.027 0.000 0.884 423 T HN 0.572 nan 8.240 nan 0.000 0.525 424 L N 2.408 123.669 121.223 0.063 0.000 2.202 424 L HA 0.315 4.655 4.340 -0.000 0.000 0.205 424 L C 0.302 177.282 176.870 0.183 0.000 1.083 424 L CA 0.481 55.394 54.840 0.121 0.000 0.790 424 L CB 0.090 42.252 42.059 0.171 0.000 0.942 424 L HN 0.642 nan 8.230 nan 0.000 0.452 425 Y N 0.043 120.339 120.300 -0.007 0.000 2.565 425 Y HA 0.396 4.946 4.550 -0.000 0.000 0.330 425 Y C -0.896 174.964 175.900 -0.066 0.000 1.150 425 Y CA -1.187 56.904 58.100 -0.017 0.000 1.055 425 Y CB 1.553 40.012 38.460 -0.003 0.000 1.337 425 Y HN -0.038 nan 8.280 nan 0.000 0.457 426 T N 1.254 115.285 114.554 -0.872 0.000 2.903 426 T HA 0.708 5.058 4.350 -0.000 0.000 0.299 426 T C -1.057 173.185 174.700 -0.764 0.000 1.093 426 T CA -0.767 60.947 62.100 -0.643 0.000 1.002 426 T CB 1.921 70.594 68.868 -0.326 0.000 1.127 426 T HN 0.745 nan 8.240 nan 0.000 0.488 427 T N -0.140 114.219 114.554 -0.324 0.000 2.916 427 T HA 0.603 4.953 4.350 -0.000 0.000 0.292 427 T C 1.055 175.741 174.700 -0.024 0.000 1.055 427 T CA -0.011 62.005 62.100 -0.141 0.000 1.009 427 T CB 1.686 70.568 68.868 0.023 0.000 1.118 427 T HN 0.925 nan 8.240 nan 0.000 0.497 428 S N 2.184 117.885 115.700 0.002 0.000 2.497 428 S HA 0.249 4.718 4.470 -0.000 0.000 0.218 428 S C 1.310 175.934 174.600 0.039 0.000 1.023 428 S CA -0.417 57.800 58.200 0.029 0.000 0.913 428 S CB 0.222 63.434 63.200 0.019 0.000 0.800 428 S HN 0.639 nan 8.310 nan 0.000 0.505 429 R N 0.297 120.820 120.500 0.039 0.000 2.716 429 R HA 0.264 4.604 4.340 -0.000 0.000 0.186 429 R C -0.598 175.728 176.300 0.044 0.000 0.830 429 R CA 0.353 56.476 56.100 0.039 0.000 1.059 429 R CB -0.848 29.471 30.300 0.032 0.000 1.531 429 R HN 0.299 nan 8.270 nan 0.000 0.633 430 D N 3.084 123.514 120.400 0.050 0.000 2.619 430 D HA 0.057 4.697 4.640 -0.000 0.000 0.224 430 D C -0.108 176.230 176.300 0.063 0.000 1.133 430 D CA -0.134 53.899 54.000 0.055 0.000 1.017 430 D CB -0.016 40.820 40.800 0.059 0.000 1.077 430 D HN -0.087 nan 8.370 nan 0.000 0.503 431 R N 2.553 123.086 120.500 0.056 0.000 2.481 431 R HA -0.029 4.311 4.340 -0.000 0.000 0.291 431 R C 0.012 176.347 176.300 0.058 0.000 0.934 431 R CA 0.025 56.160 56.100 0.057 0.000 1.116 431 R CB 0.300 30.628 30.300 0.046 0.000 0.895 431 R HN 0.399 nan 8.270 nan 0.000 0.410 432 L N 4.443 125.705 121.223 0.066 0.000 2.426 432 L HA 0.115 4.455 4.340 -0.000 0.000 0.271 432 L C 1.533 178.425 176.870 0.036 0.000 1.169 432 L CA 0.088 54.966 54.840 0.062 0.000 0.836 432 L CB 1.160 43.267 42.059 0.081 0.000 1.112 432 L HN 0.893 nan 8.230 nan 0.000 0.465 433 T N -3.423 111.150 114.554 0.031 0.000 2.993 433 T HA 0.189 4.539 4.350 -0.000 0.000 0.260 433 T C 0.401 175.111 174.700 0.017 0.000 0.939 433 T CA 0.295 62.406 62.100 0.018 0.000 0.886 433 T CB 0.436 69.320 68.868 0.025 0.000 1.209 433 T HN 0.653 nan 8.240 nan 0.000 0.518 434 S N -0.243 115.470 115.700 0.021 0.000 2.656 434 S HA 0.812 5.282 4.470 -0.000 0.000 0.273 434 S C -1.723 172.878 174.600 0.002 0.000 1.168 434 S CA -0.469 57.740 58.200 0.016 0.000 0.817 434 S CB 1.986 65.203 63.200 0.030 0.000 1.146 434 S HN 0.854 nan 8.310 nan 0.000 0.475 435 V N -0.368 119.534 119.914 -0.019 0.000 3.023 435 V HA 0.856 4.976 4.120 -0.000 0.000 0.294 435 V C -1.227 174.756 176.094 -0.185 0.000 1.324 435 V CA 0.331 62.602 62.300 -0.047 0.000 0.979 435 V CB 1.403 33.239 31.823 0.022 0.000 1.093 435 V HN 2.077 nan 8.190 nan 0.000 0.434 436 A N 3.949 126.576 122.820 -0.322 0.000 2.587 436 A HA 0.993 5.313 4.320 -0.000 0.000 0.293 436 A C -0.830 176.536 177.584 -0.362 0.000 1.087 436 A CA 0.008 51.522 52.037 -0.873 0.000 0.692 436 A CB 2.192 20.684 19.000 -0.847 0.000 1.291 436 A HN 1.683 nan 8.150 nan 0.000 0.407 437 S N -0.724 114.796 115.700 -0.301 0.000 2.550 437 S HA 0.830 5.299 4.470 -0.000 0.000 0.270 437 S C -1.363 173.484 174.600 0.411 0.000 1.145 437 S CA -0.170 58.071 58.200 0.070 0.000 0.852 437 S CB 1.253 64.115 63.200 -0.563 0.000 1.119 437 S HN 1.866 nan 8.310 nan 0.000 0.465 438 Y N 0.023 120.386 120.300 0.104 0.000 2.744 438 Y HA 0.816 5.366 4.550 -0.000 0.000 0.330 438 Y C -2.009 173.915 175.900 0.039 0.000 1.263 438 Y CA -1.278 56.819 58.100 -0.005 0.000 1.065 438 Y CB 0.783 39.026 38.460 -0.361 0.000 1.306 438 Y HN 0.380 nan 8.280 nan 0.000 0.459 439 V N 2.456 122.160 119.914 -0.349 0.000 2.384 439 V HA 0.290 4.410 4.120 -0.000 0.000 0.287 439 V C -1.471 174.322 176.094 -0.501 0.000 1.020 439 V CA -0.542 61.547 62.300 -0.352 0.000 0.850 439 V CB 1.003 32.756 31.823 -0.117 0.000 0.987 439 V HN 0.688 nan 8.190 nan 0.000 0.436 440 Y N 5.125 125.079 120.300 -0.576 0.000 2.328 440 Y HA 0.433 4.983 4.550 -0.000 0.000 0.336 440 Y C 0.805 176.625 175.900 -0.134 0.000 0.960 440 Y CA -0.655 57.232 58.100 -0.355 0.000 1.134 440 Y CB 1.026 39.258 38.460 -0.380 0.000 1.166 440 Y HN 0.799 nan 8.280 nan 0.000 0.464 441 N N 4.146 122.500 118.700 -0.576 0.000 2.721 441 N HA -0.220 4.520 4.740 -0.000 0.000 0.249 441 N C 0.766 176.149 175.510 -0.213 0.000 1.072 441 N CA 1.870 54.698 53.050 -0.369 0.000 0.710 441 N CB -1.150 37.150 38.487 -0.312 0.000 0.993 441 N HN 1.441 nan 8.380 nan 0.000 0.547 442 G N -2.610 106.052 108.800 -0.230 0.000 2.179 442 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.260 442 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.260 442 G C -0.141 174.546 174.900 -0.356 0.000 0.977 442 G CA 0.477 45.404 45.100 -0.288 0.000 0.641 442 G HN 0.490 nan 8.290 nan 0.000 0.533 443 Y N 1.386 121.601 120.300 -0.142 0.000 2.326 443 Y HA 0.611 5.161 4.550 -0.000 0.000 0.337 443 Y C 0.889 176.700 175.900 -0.149 0.000 1.023 443 Y CA -0.198 57.823 58.100 -0.132 0.000 1.143 443 Y CB 1.834 40.201 38.460 -0.154 0.000 1.183 443 Y HN 0.134 nan 8.280 nan 0.000 0.485 444 S N 3.484 119.211 115.700 0.046 0.000 2.455 444 S HA 0.381 4.851 4.470 -0.000 0.000 0.278 444 S C -0.696 173.888 174.600 -0.027 0.000 1.216 444 S CA -0.577 57.628 58.200 0.008 0.000 1.055 444 S CB -0.297 62.966 63.200 0.106 0.000 0.939 444 S HN 0.445 nan 8.310 nan 0.000 0.494 445 V N 6.814 126.670 119.914 -0.097 0.000 2.384 445 V HA 0.431 4.551 4.120 -0.000 0.000 0.287 445 V C -0.305 175.648 176.094 -0.235 0.000 1.020 445 V CA -0.676 61.549 62.300 -0.126 0.000 0.850 445 V CB 1.573 33.373 31.823 -0.040 0.000 0.987 445 V HN 0.751 nan 8.190 nan 0.000 0.436 446 V N 5.703 125.405 119.914 -0.354 0.000 2.417 446 V HA 0.509 4.629 4.120 -0.000 0.000 0.291 446 V C -0.564 175.242 176.094 -0.480 0.000 1.024 446 V CA -0.533 61.553 62.300 -0.357 0.000 0.861 446 V CB 1.400 33.067 31.823 -0.261 0.000 0.985 446 V HN 0.651 nan 8.190 nan 0.000 0.436 447 F N 3.639 123.513 119.950 -0.127 0.000 2.415 447 F HA 0.624 5.150 4.527 -0.000 0.000 0.348 447 F C 0.120 175.821 175.800 -0.165 0.000 1.119 447 F CA -0.701 57.207 58.000 -0.153 0.000 1.069 447 F CB 1.702 40.599 39.000 -0.171 0.000 1.124 447 F HN 0.165 nan 8.300 nan 0.000 0.472 448 V N 3.083 122.988 119.914 -0.015 0.000 2.443 448 V HA 0.590 4.710 4.120 -0.000 0.000 0.293 448 V C 0.388 176.479 176.094 -0.005 0.000 1.021 448 V CA -0.928 61.358 62.300 -0.024 0.000 0.848 448 V CB 1.449 33.239 31.823 -0.055 0.000 0.998 448 V HN 0.910 nan 8.190 nan 0.000 0.424 449 G N 3.006 111.814 108.800 0.013 0.000 2.539 449 G HA2 0.579 4.538 3.960 -0.000 0.000 0.258 449 G HA3 0.579 4.538 3.960 -0.000 0.000 0.258 449 G C 0.076 175.001 174.900 0.043 0.000 1.202 449 G CA 0.265 45.384 45.100 0.031 0.000 0.851 449 G HN 0.814 nan 8.290 nan 0.000 0.556 450 T N -2.379 112.208 114.554 0.056 0.000 2.916 450 T HA 0.420 4.770 4.350 -0.000 0.000 0.292 450 T C 1.150 175.890 174.700 0.068 0.000 1.064 450 T CA -0.530 61.606 62.100 0.059 0.000 1.011 450 T CB 1.979 70.882 68.868 0.057 0.000 1.152 450 T HN 0.619 nan 8.240 nan 0.000 0.510 451 K N 0.197 120.631 120.400 0.056 0.000 2.442 451 K HA -0.016 4.304 4.320 -0.000 0.000 0.198 451 K C 1.474 178.109 176.600 0.058 0.000 1.042 451 K CA 1.399 57.716 56.287 0.050 0.000 0.958 451 K CB -0.189 32.333 32.500 0.037 0.000 0.766 451 K HN 0.536 nan 8.250 nan 0.000 0.474 452 S N -0.649 115.091 115.700 0.066 0.000 2.575 452 S HA 0.308 4.778 4.470 -0.000 0.000 0.237 452 S C 1.080 175.742 174.600 0.105 0.000 0.975 452 S CA -0.141 58.101 58.200 0.071 0.000 0.960 452 S CB 0.402 63.635 63.200 0.054 0.000 0.822 452 S HN 0.583 nan 8.310 nan 0.000 0.472 453 G N 0.628 109.515 108.800 0.145 0.000 2.136 453 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.242 453 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.242 453 G C -0.151 174.811 174.900 0.104 0.000 0.989 453 G CA 0.021 45.263 45.100 0.238 0.000 0.682 453 G HN 0.537 nan 8.290 nan 0.000 0.522 454 K N -0.652 119.785 120.400 0.062 0.000 2.118 454 K HA 0.791 5.111 4.320 -0.000 0.000 0.267 454 K C -0.151 176.447 176.600 -0.004 0.000 0.991 454 K CA -0.828 55.467 56.287 0.014 0.000 0.916 454 K CB 1.504 34.016 32.500 0.019 0.000 1.041 454 K HN 0.223 nan 8.250 nan 0.000 0.455 455 L N 2.351 123.552 121.223 -0.035 0.000 2.319 455 L HA 0.370 4.710 4.340 -0.000 0.000 0.281 455 L C -1.072 175.765 176.870 -0.056 0.000 1.005 455 L CA -0.168 54.651 54.840 -0.036 0.000 0.828 455 L CB 0.909 42.934 42.059 -0.056 0.000 1.227 455 L HN 0.444 nan 8.230 nan 0.000 0.415 456 K N 4.692 125.040 120.400 -0.087 0.000 2.172 456 K HA 0.418 4.738 4.320 -0.000 0.000 0.276 456 K C -0.775 175.653 176.600 -0.287 0.000 1.013 456 K CA -0.588 55.581 56.287 -0.196 0.000 0.913 456 K CB 1.261 33.610 32.500 -0.252 0.000 1.055 456 K HN 0.420 nan 8.250 nan 0.000 0.461 457 K N 3.476 123.595 120.400 -0.468 0.000 2.316 457 K HA 0.335 4.655 4.320 -0.000 0.000 0.267 457 K C -0.571 175.550 176.600 -0.799 0.000 1.025 457 K CA -0.540 55.304 56.287 -0.739 0.000 0.896 457 K CB 0.785 32.715 32.500 -0.950 0.000 1.124 457 K HN 0.311 nan 8.250 nan 0.000 0.451 458 I N 2.690 122.960 120.570 -0.499 0.000 2.377 458 I HA 0.316 4.485 4.170 -0.000 0.000 0.293 458 I C 0.219 176.319 176.117 -0.028 0.000 0.987 458 I CA -0.662 60.476 61.300 -0.271 0.000 1.185 458 I CB 1.365 39.185 38.000 -0.300 0.000 1.341 458 I HN 0.528 nan 8.210 nan 0.000 0.455 459 R N 4.575 125.156 120.500 0.135 0.000 2.207 459 R HA 0.604 4.943 4.340 -0.000 0.000 0.334 459 R C -0.431 175.905 176.300 0.059 0.000 1.013 459 R CA -0.448 55.703 56.100 0.085 0.000 0.858 459 R CB 1.067 31.361 30.300 -0.010 0.000 1.094 459 R HN 0.807 nan 8.270 nan 0.000 0.457 460 A N 4.868 127.729 122.820 0.068 0.000 2.354 460 A HA 0.255 4.575 4.320 -0.000 0.000 0.281 460 A C -0.832 176.799 177.584 0.078 0.000 1.174 460 A CA -0.306 51.789 52.037 0.095 0.000 0.828 460 A CB 0.378 19.475 19.000 0.161 0.000 1.099 460 A HN 0.757 nan 8.150 nan 0.000 0.516 461 D N 1.479 121.913 120.400 0.056 0.000 2.490 461 D HA 0.530 5.170 4.640 -0.000 0.000 0.232 461 D C 0.776 177.070 176.300 -0.011 0.000 1.053 461 D CA 0.039 54.053 54.000 0.025 0.000 0.914 461 D CB 1.836 42.657 40.800 0.036 0.000 1.431 461 D HN 0.600 nan 8.370 nan 0.000 0.483 462 G N 0.469 109.228 108.800 -0.068 0.000 2.479 462 G HA2 0.280 4.240 3.960 -0.000 0.000 0.275 462 G HA3 0.280 4.240 3.960 -0.000 0.000 0.275 462 G C -2.311 172.561 174.900 -0.047 0.000 1.421 462 G CA -0.539 44.483 45.100 -0.130 0.000 1.059 462 G HN 0.243 nan 8.290 nan 0.000 0.535 463 P HA 0.107 nan 4.420 nan 0.000 0.269 463 P C -1.750 175.552 177.300 0.004 0.000 1.211 463 P CA -0.433 62.646 63.100 -0.036 0.000 0.781 463 P CB 0.299 31.968 31.700 -0.053 0.000 0.877 464 P HA 0.063 nan 4.420 nan 0.000 0.245 464 P C 0.586 177.767 177.300 -0.197 0.000 1.203 464 P CA 1.115 64.126 63.100 -0.148 0.000 0.792 464 P CB 0.096 31.651 31.700 -0.240 0.000 0.997 465 H N -0.893 118.174 119.070 -0.005 0.000 2.384 465 H HA 0.218 4.774 4.556 -0.000 0.000 0.300 465 H C 1.897 177.236 175.328 0.019 0.000 1.057 465 H CA 1.700 57.754 56.048 0.010 0.000 1.370 465 H CB -0.531 29.241 29.762 0.017 0.000 1.417 465 H HN 0.176 nan 8.280 nan 0.000 0.527 466 G N -0.464 108.417 108.800 0.134 0.000 3.757 466 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.215 466 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.215 466 G C 0.716 175.678 174.900 0.103 0.000 1.411 466 G CA 0.213 45.361 45.100 0.080 0.000 0.896 466 G HN 0.905 nan 8.290 nan 0.000 0.581 467 G N -1.560 107.325 108.800 0.141 0.000 2.704 467 G HA2 0.698 4.658 3.960 -0.000 0.000 0.293 467 G HA3 0.698 4.658 3.960 -0.000 0.000 0.293 467 G C -1.760 173.229 174.900 0.148 0.000 1.421 467 G CA 0.339 45.520 45.100 0.135 0.000 0.870 467 G HN 1.278 nan 8.290 nan 0.000 0.492 468 V N 0.734 120.705 119.914 0.095 0.000 2.569 468 V HA 0.395 4.515 4.120 -0.000 0.000 0.301 468 V C -0.128 175.993 176.094 0.046 0.000 1.044 468 V CA -0.720 61.636 62.300 0.092 0.000 0.874 468 V CB 1.619 33.473 31.823 0.052 0.000 1.002 468 V HN 0.887 nan 8.190 nan 0.000 0.424 469 Q N 3.552 123.348 119.800 -0.005 0.000 2.293 469 Q HA 0.197 4.537 4.340 -0.000 0.000 0.263 469 Q C -0.032 175.950 176.000 -0.030 0.000 1.002 469 Q CA -0.170 55.541 55.803 -0.153 0.000 0.910 469 Q CB 0.645 29.270 28.738 -0.189 0.000 1.185 469 Q HN 0.914 nan 8.270 nan 0.000 0.401 470 Y N 2.004 122.255 120.300 -0.083 0.000 2.444 470 Y HA 0.507 5.057 4.550 -0.000 0.000 0.249 470 Y C -0.295 175.610 175.900 0.009 0.000 1.134 470 Y CA -0.623 57.453 58.100 -0.041 0.000 1.261 470 Y CB 0.728 39.146 38.460 -0.070 0.000 1.143 470 Y HN 0.574 nan 8.280 nan 0.000 0.523 471 E N 0.891 120.869 120.200 -0.369 0.000 2.380 471 E HA 0.428 4.777 4.350 -0.000 0.000 0.281 471 E C -1.989 174.480 176.600 -0.220 0.000 0.999 471 E CA -0.879 55.402 56.400 -0.199 0.000 0.800 471 E CB 2.154 31.774 29.700 -0.133 0.000 1.228 471 E HN 0.249 nan 8.360 nan 0.000 0.436 472 M N 4.354 123.892 119.600 -0.103 0.000 2.151 472 M HA 0.382 4.862 4.480 -0.000 0.000 0.290 472 M C -1.769 174.506 176.300 -0.042 0.000 0.965 472 M CA -0.727 54.524 55.300 -0.081 0.000 0.930 472 M CB 1.457 34.027 32.600 -0.050 0.000 1.560 472 M HN 0.286 nan 8.290 nan 0.000 0.438 473 V N 2.357 122.248 119.914 -0.038 0.000 2.567 473 V HA 0.428 4.548 4.120 -0.000 0.000 0.289 473 V C 0.313 176.397 176.094 -0.015 0.000 1.049 473 V CA -0.730 61.563 62.300 -0.011 0.000 0.969 473 V CB 1.436 33.260 31.823 0.003 0.000 0.995 473 V HN 0.872 nan 8.190 nan 0.000 0.471 474 S N 2.233 117.930 115.700 -0.005 0.000 2.416 474 S HA 0.321 4.791 4.470 -0.000 0.000 0.287 474 S C 0.747 175.324 174.600 -0.038 0.000 1.139 474 S CA -0.534 57.658 58.200 -0.013 0.000 1.058 474 S CB 0.826 64.023 63.200 -0.005 0.000 0.967 474 S HN 0.547 nan 8.310 nan 0.000 0.495 475 V N 5.215 125.055 119.914 -0.123 0.000 2.492 475 V HA 0.236 4.356 4.120 -0.000 0.000 0.241 475 V C -0.098 175.736 176.094 -0.433 0.000 1.041 475 V CA 0.864 62.971 62.300 -0.323 0.000 1.057 475 V CB -0.188 31.271 31.823 -0.607 0.000 0.711 475 V HN 0.726 nan 8.190 nan 0.000 0.468 476 F N 1.415 121.395 119.950 0.050 0.000 2.402 476 F HA 0.377 4.904 4.527 -0.000 0.000 0.355 476 F C 1.246 177.060 175.800 0.024 0.000 1.123 476 F CA -1.504 56.519 58.000 0.038 0.000 1.021 476 F CB 1.225 40.245 39.000 0.032 0.000 1.160 476 F HN 0.018 nan 8.300 nan 0.000 0.451 477 K N 0.297 120.812 120.400 0.191 0.000 2.209 477 K HA -0.160 4.160 4.320 -0.000 0.000 0.204 477 K C 0.713 177.367 176.600 0.090 0.000 1.048 477 K CA 1.857 58.204 56.287 0.101 0.000 0.940 477 K CB -0.152 32.388 32.500 0.067 0.000 0.729 477 K HN 0.552 nan 8.250 nan 0.000 0.451 478 D N 0.014 120.479 120.400 0.108 0.000 2.349 478 D HA 0.043 4.683 4.640 -0.000 0.000 0.224 478 D C 1.100 177.434 176.300 0.055 0.000 1.029 478 D CA 0.624 54.658 54.000 0.056 0.000 0.879 478 D CB 0.058 40.872 40.800 0.024 0.000 0.906 478 D HN 0.437 nan 8.370 nan 0.000 0.528 479 G N -0.213 108.646 108.800 0.098 0.000 2.153 479 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.252 479 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.252 479 G C 0.229 175.176 174.900 0.078 0.000 0.994 479 G CA 0.293 45.446 45.100 0.089 0.000 0.698 479 G HN 0.422 nan 8.290 nan 0.000 0.521 480 S N 1.603 117.341 115.700 0.063 0.000 2.549 480 S HA 0.418 4.888 4.470 -0.000 0.000 0.283 480 S C -1.617 173.006 174.600 0.038 0.000 1.320 480 S CA -0.502 57.687 58.200 -0.018 0.000 1.058 480 S CB 1.060 64.153 63.200 -0.178 0.000 0.882 480 S HN 0.272 nan 8.310 nan 0.000 0.498 481 P HA 0.086 nan 4.420 nan 0.000 0.267 481 P C -0.432 176.914 177.300 0.076 0.000 1.200 481 P CA -0.053 63.078 63.100 0.053 0.000 0.772 481 P CB 0.274 31.985 31.700 0.019 0.000 0.855 482 I N 3.487 124.140 120.570 0.138 0.000 2.416 482 I HA 0.122 4.292 4.170 -0.000 0.000 0.288 482 I C 0.910 177.090 176.117 0.105 0.000 1.051 482 I CA -0.200 61.210 61.300 0.183 0.000 1.375 482 I CB -0.002 38.109 38.000 0.184 0.000 1.407 482 I HN 0.208 nan 8.210 nan 0.000 0.516 483 L N 6.223 127.509 121.223 0.104 0.000 2.475 483 L HA 0.296 4.636 4.340 -0.000 0.000 0.253 483 L C 1.773 178.698 176.870 0.092 0.000 1.198 483 L CA -0.534 54.353 54.840 0.078 0.000 0.814 483 L CB 0.376 42.480 42.059 0.074 0.000 1.134 483 L HN 0.586 nan 8.230 nan 0.000 0.478 484 R N -0.161 120.398 120.500 0.099 0.000 2.081 484 R HA -0.091 4.248 4.340 -0.000 0.000 0.235 484 R C -0.243 176.150 176.300 0.155 0.000 1.131 484 R CA 0.946 57.119 56.100 0.122 0.000 0.960 484 R CB -0.139 30.260 30.300 0.164 0.000 0.856 484 R HN 0.595 nan 8.270 nan 0.000 0.436 485 D N 1.018 121.536 120.400 0.197 0.000 2.342 485 D HA 0.110 4.750 4.640 -0.000 0.000 0.260 485 D C -0.170 176.212 176.300 0.136 0.000 1.278 485 D CA 0.883 55.015 54.000 0.220 0.000 0.910 485 D CB 0.526 41.483 40.800 0.262 0.000 1.079 485 D HN 0.051 nan 8.370 nan 0.000 0.496 486 M N 1.434 121.088 119.600 0.090 0.000 2.535 486 M HA 0.758 5.238 4.480 -0.000 0.000 0.314 486 M C -0.632 175.639 176.300 -0.049 0.000 1.153 486 M CA -0.990 54.288 55.300 -0.037 0.000 0.924 486 M CB 2.492 34.985 32.600 -0.178 0.000 1.710 486 M HN 0.303 nan 8.290 nan 0.000 0.451 487 A N 1.818 124.574 122.820 -0.106 0.000 2.574 487 A HA 0.832 5.152 4.320 -0.000 0.000 0.297 487 A C -1.638 175.890 177.584 -0.093 0.000 1.062 487 A CA -0.656 51.358 52.037 -0.038 0.000 0.686 487 A CB 1.080 20.172 19.000 0.153 0.000 1.285 487 A HN 0.671 nan 8.150 nan 0.000 0.403 488 F N 1.721 121.726 119.950 0.092 0.000 2.389 488 F HA 0.446 4.973 4.527 -0.000 0.000 0.337 488 F C 1.629 177.526 175.800 0.160 0.000 1.112 488 F CA 0.508 58.511 58.000 0.005 0.000 1.192 488 F CB 1.233 40.172 39.000 -0.101 0.000 1.185 488 F HN 0.663 nan 8.300 nan 0.000 0.552 489 S N 2.599 118.499 115.700 0.334 0.000 2.587 489 S HA 0.060 4.530 4.470 -0.000 0.000 0.260 489 S C 1.422 176.171 174.600 0.248 0.000 1.353 489 S CA -0.301 58.106 58.200 0.346 0.000 0.995 489 S CB 0.165 63.549 63.200 0.306 0.000 0.912 489 S HN 0.702 nan 8.310 nan 0.000 0.568 490 I N -1.656 119.039 120.570 0.207 0.000 2.361 490 I HA -0.109 4.061 4.170 -0.000 0.000 0.251 490 I C 0.920 177.105 176.117 0.114 0.000 1.133 490 I CA 1.457 62.853 61.300 0.159 0.000 1.413 490 I CB -0.461 37.625 38.000 0.144 0.000 1.073 490 I HN 0.427 nan 8.210 nan 0.000 0.424 491 N N 1.084 119.846 118.700 0.104 0.000 2.273 491 N HA 0.083 4.823 4.740 -0.000 0.000 0.231 491 N C -0.222 175.305 175.510 0.028 0.000 1.134 491 N CA 0.043 53.134 53.050 0.070 0.000 0.856 491 N CB 0.667 39.197 38.487 0.072 0.000 1.068 491 N HN 0.335 nan 8.380 nan 0.000 0.510 492 Q N -0.665 119.128 119.800 -0.013 0.000 2.468 492 Q HA -0.168 4.172 4.340 -0.000 0.000 0.256 492 Q C 0.879 176.768 176.000 -0.184 0.000 0.984 492 Q CA 0.537 56.225 55.803 -0.192 0.000 1.110 492 Q CB -2.029 26.407 28.738 -0.503 0.000 1.527 492 Q HN 0.454 nan 8.270 nan 0.000 0.535 493 L N -1.686 119.452 121.223 -0.142 0.000 2.313 493 L HA 0.049 4.389 4.340 -0.000 0.000 0.214 493 L C 0.319 176.812 176.870 -0.628 0.000 1.119 493 L CA 0.872 55.489 54.840 -0.373 0.000 0.809 493 L CB 0.024 41.824 42.059 -0.432 0.000 0.933 493 L HN 0.209 nan 8.230 nan 0.000 0.449 494 Y N -0.935 119.236 120.300 -0.216 0.000 2.570 494 Y HA 0.549 5.099 4.550 -0.000 0.000 0.345 494 Y C -0.518 175.113 175.900 -0.448 0.000 1.014 494 Y CA -1.109 56.760 58.100 -0.384 0.000 1.063 494 Y CB 2.050 40.207 38.460 -0.506 0.000 1.272 494 Y HN -0.291 nan 8.280 nan 0.000 0.477 495 L N 2.352 123.294 121.223 -0.467 0.000 2.343 495 L HA 0.529 4.868 4.340 -0.000 0.000 0.278 495 L C -1.778 174.763 176.870 -0.547 0.000 0.996 495 L CA -0.802 53.648 54.840 -0.650 0.000 0.831 495 L CB 0.327 41.799 42.059 -0.979 0.000 1.232 495 L HN 0.465 nan 8.230 nan 0.000 0.413 496 Y N 4.291 124.425 120.300 -0.276 0.000 2.402 496 Y HA 0.514 5.064 4.550 -0.000 0.000 0.333 496 Y C 0.198 176.004 175.900 -0.157 0.000 1.076 496 Y CA 0.009 58.005 58.100 -0.173 0.000 1.299 496 Y CB 1.088 39.481 38.460 -0.111 0.000 1.197 496 Y HN 0.338 nan 8.280 nan 0.000 0.517 497 V N 5.600 125.548 119.914 0.058 0.000 2.789 497 V HA 0.538 4.658 4.120 -0.000 0.000 0.311 497 V C -0.328 175.944 176.094 0.296 0.000 1.073 497 V CA -1.079 61.273 62.300 0.085 0.000 0.921 497 V CB 2.007 33.804 31.823 -0.043 0.000 1.009 497 V HN 0.791 nan 8.190 nan 0.000 0.426 498 M N 2.920 122.717 119.600 0.327 0.000 2.518 498 M HA 0.867 5.347 4.480 -0.000 0.000 0.300 498 M C -0.457 175.958 176.300 0.190 0.000 1.175 498 M CA -0.294 55.215 55.300 0.348 0.000 0.890 498 M CB 2.423 35.179 32.600 0.259 0.000 1.710 498 M HN 0.621 nan 8.290 nan 0.000 0.453 499 S N 0.818 116.394 115.700 -0.207 0.000 2.786 499 S HA 0.448 4.918 4.470 -0.000 0.000 0.307 499 S C 0.431 174.929 174.600 -0.170 0.000 1.121 499 S CA -0.611 57.360 58.200 -0.381 0.000 0.975 499 S CB 1.419 64.024 63.200 -0.992 0.000 1.220 499 S HN 0.869 nan 8.310 nan 0.000 0.550 500 E N 0.163 120.251 120.200 -0.186 0.000 2.204 500 E HA -0.062 4.288 4.350 -0.000 0.000 0.195 500 E C 1.315 177.709 176.600 -0.344 0.000 0.990 500 E CA 0.708 57.018 56.400 -0.151 0.000 0.821 500 E CB 0.016 29.646 29.700 -0.118 0.000 0.750 500 E HN 0.371 nan 8.360 nan 0.000 0.477 501 R N -0.248 120.001 120.500 -0.417 0.000 2.437 501 R HA 0.234 4.574 4.340 -0.000 0.000 0.257 501 R C 0.266 176.227 176.300 -0.565 0.000 0.927 501 R CA 0.097 55.891 56.100 -0.511 0.000 1.078 501 R CB 0.839 30.959 30.300 -0.300 0.000 1.161 501 R HN 0.100 nan 8.270 nan 0.000 0.529 502 Q N 0.241 119.820 119.800 -0.367 0.000 2.403 502 Q HA 0.271 4.611 4.340 -0.000 0.000 0.267 502 Q C -1.860 174.344 176.000 0.340 0.000 0.991 502 Q CA -0.343 55.453 55.803 -0.013 0.000 0.906 502 Q CB 2.571 31.231 28.738 -0.131 0.000 1.422 502 Q HN -0.112 nan 8.270 nan 0.000 0.400 503 V N 2.611 122.814 119.914 0.481 0.000 2.435 503 V HA 0.639 4.759 4.120 -0.000 0.000 0.290 503 V C -0.421 175.859 176.094 0.310 0.000 1.030 503 V CA -0.206 62.319 62.300 0.375 0.000 0.881 503 V CB 1.764 33.721 31.823 0.223 0.000 0.983 503 V HN 0.821 nan 8.190 nan 0.000 0.445 504 T N 4.863 119.600 114.554 0.305 0.000 2.881 504 T HA 0.413 4.763 4.350 -0.000 0.000 0.290 504 T C -0.308 174.406 174.700 0.024 0.000 1.000 504 T CA -0.591 61.606 62.100 0.162 0.000 0.978 504 T CB 1.474 70.400 68.868 0.097 0.000 0.997 504 T HN 0.636 nan 8.240 nan 0.000 0.443 505 R N 3.058 123.524 120.500 -0.056 0.000 2.205 505 R HA 0.507 4.847 4.340 -0.000 0.000 0.342 505 R C -1.090 174.972 176.300 -0.397 0.000 1.058 505 R CA -0.291 55.605 56.100 -0.341 0.000 0.904 505 R CB 0.088 30.128 30.300 -0.433 0.000 1.089 505 R HN 0.400 nan 8.270 nan 0.000 0.471 506 V N 7.741 127.357 119.914 -0.497 0.000 2.370 506 V HA 0.296 4.415 4.120 -0.000 0.000 0.279 506 V C -2.040 173.760 176.094 -0.490 0.000 1.029 506 V CA -2.345 59.529 62.300 -0.710 0.000 0.870 506 V CB 1.481 32.927 31.823 -0.628 0.000 0.984 506 V HN 0.774 nan 8.190 nan 0.000 0.451 507 P HA 0.029 nan 4.420 nan 0.000 0.261 507 P C 1.071 178.158 177.300 -0.355 0.000 1.183 507 P CA 0.329 63.204 63.100 -0.375 0.000 0.761 507 P CB 0.780 32.325 31.700 -0.259 0.000 0.785 508 V N 2.181 121.869 119.914 -0.376 0.000 2.469 508 V HA -0.160 3.960 4.120 -0.000 0.000 0.251 508 V C 1.221 177.188 176.094 -0.213 0.000 1.064 508 V CA 1.800 63.957 62.300 -0.239 0.000 1.066 508 V CB -0.571 31.103 31.823 -0.249 0.000 0.667 508 V HN 0.652 nan 8.190 nan 0.000 0.461 509 E N -0.910 119.109 120.200 -0.303 0.000 2.314 509 E HA 0.299 4.649 4.350 -0.000 0.000 0.272 509 E C -1.084 175.457 176.600 -0.099 0.000 0.884 509 E CA -0.279 55.991 56.400 -0.217 0.000 0.753 509 E CB 2.194 31.675 29.700 -0.364 0.000 1.213 509 E HN -0.061 nan 8.360 nan 0.000 0.432 510 S N 3.345 119.043 115.700 -0.002 0.000 2.617 510 S HA 0.212 4.682 4.470 -0.000 0.000 0.237 510 S C 0.703 175.315 174.600 0.020 0.000 1.142 510 S CA -0.427 57.773 58.200 0.001 0.000 1.167 510 S CB -0.753 62.448 63.200 0.002 0.000 1.068 510 S HN 0.615 nan 8.310 nan 0.000 0.470 511 c N 1.872 120.528 118.600 0.093 0.000 2.403 511 c HA -0.103 4.467 4.570 -0.000 0.000 0.279 511 c C 2.754 176.944 174.090 0.167 0.000 1.269 511 c CA 1.205 57.667 56.329 0.221 0.000 1.774 511 c CB -0.933 41.709 42.510 0.219 0.000 1.993 511 c HN 0.848 nan 8.230 nan 0.000 0.496 512 E N 2.116 122.354 120.200 0.063 0.000 2.396 512 E HA -0.294 4.056 4.350 -0.000 0.000 0.200 512 E C 1.844 178.444 176.600 -0.000 0.000 1.023 512 E CA 1.511 57.937 56.400 0.042 0.000 0.857 512 E CB -0.605 29.102 29.700 0.012 0.000 0.775 512 E HN 0.907 nan 8.360 nan 0.000 0.525 513 Q N 0.028 119.748 119.800 -0.133 0.000 2.369 513 Q HA -0.095 4.245 4.340 -0.000 0.000 0.206 513 Q C -0.146 175.678 176.000 -0.293 0.000 0.963 513 Q CA 0.530 56.173 55.803 -0.266 0.000 0.894 513 Q CB -0.461 28.018 28.738 -0.432 0.000 0.965 513 Q HN 0.286 nan 8.270 nan 0.000 0.475 514 Y N 1.867 122.239 120.300 0.120 0.000 2.350 514 Y HA 0.190 4.740 4.550 -0.000 0.000 0.340 514 Y C 1.252 177.298 175.900 0.243 0.000 1.006 514 Y CA 0.019 58.206 58.100 0.144 0.000 1.166 514 Y CB 1.547 40.091 38.460 0.141 0.000 1.168 514 Y HN 0.121 nan 8.280 nan 0.000 0.502 515 T N -2.676 112.065 114.554 0.312 0.000 3.022 515 T HA 0.117 4.467 4.350 -0.000 0.000 0.250 515 T C 0.483 175.368 174.700 0.309 0.000 1.060 515 T CA 0.349 62.637 62.100 0.313 0.000 1.013 515 T CB -0.149 68.823 68.868 0.173 0.000 0.982 515 T HN 0.591 nan 8.240 nan 0.000 0.508 516 T N -1.959 112.616 114.554 0.035 0.000 2.893 516 T HA 0.422 4.772 4.350 -0.000 0.000 0.291 516 T C 1.196 175.283 174.700 -1.023 0.000 1.028 516 T CA -0.512 61.338 62.100 -0.418 0.000 0.995 516 T CB 1.220 69.943 68.868 -0.242 0.000 1.051 516 T HN 0.080 nan 8.240 nan 0.000 0.470 517 c N 2.477 119.922 118.600 -1.925 0.000 2.396 517 c HA -0.010 4.560 4.570 -0.000 0.000 0.277 517 c C 2.918 176.591 174.090 -0.695 0.000 1.231 517 c CA 1.984 57.264 56.329 -1.748 0.000 1.775 517 c CB -1.795 39.785 42.510 -1.550 0.000 2.036 517 c HN 1.074 nan 8.230 nan 0.000 0.484 518 G N -0.662 107.840 108.800 -0.497 0.000 2.421 518 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.216 518 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.216 518 G C 1.545 176.311 174.900 -0.224 0.000 1.171 518 G CA 0.957 45.885 45.100 -0.286 0.000 0.775 518 G HN 0.742 nan 8.290 nan 0.000 0.543 519 E N -0.601 119.489 120.200 -0.184 0.000 2.051 519 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 519 E C 2.518 178.973 176.600 -0.242 0.000 0.991 519 E CA 0.959 57.299 56.400 -0.100 0.000 0.799 519 E CB -0.347 29.404 29.700 0.084 0.000 0.748 519 E HN 0.403 nan 8.360 nan 0.000 0.449 520 c N 0.849 119.352 118.600 -0.162 0.000 2.393 520 c HA -0.144 4.426 4.570 -0.000 0.000 0.276 520 c C 2.248 176.171 174.090 -0.278 0.000 1.215 520 c CA 0.803 57.030 56.329 -0.169 0.000 1.743 520 c CB -0.865 41.787 42.510 0.236 0.000 2.044 520 c HN 0.346 nan 8.230 nan 0.000 0.464 521 L N 1.230 122.324 121.223 -0.214 0.000 2.627 521 L HA 0.106 4.446 4.340 -0.000 0.000 0.232 521 L C 1.682 178.428 176.870 -0.206 0.000 1.150 521 L CA 0.919 55.643 54.840 -0.194 0.000 0.917 521 L CB -0.206 41.759 42.059 -0.158 0.000 1.104 521 L HN 0.633 nan 8.230 nan 0.000 0.445 522 S N -3.780 111.777 115.700 -0.237 0.000 2.780 522 S HA 0.003 4.473 4.470 -0.000 0.000 0.248 522 S C 1.673 176.139 174.600 -0.224 0.000 1.036 522 S CA 0.134 58.215 58.200 -0.199 0.000 1.061 522 S CB 0.277 63.387 63.200 -0.149 0.000 1.037 522 S HN 0.319 nan 8.310 nan 0.000 0.584 523 S N 1.771 117.259 115.700 -0.353 0.000 2.382 523 S HA 0.269 4.738 4.470 -0.000 0.000 0.228 523 S C 1.904 176.367 174.600 -0.228 0.000 1.027 523 S CA 1.221 59.201 58.200 -0.368 0.000 0.991 523 S CB -1.122 61.570 63.200 -0.848 0.000 0.823 523 S HN 1.758 nan 8.310 nan 0.000 0.469 524 G N 0.937 109.547 108.800 -0.317 0.000 2.141 524 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.231 524 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.231 524 G C -0.348 174.129 174.900 -0.704 0.000 0.984 524 G CA 0.112 44.989 45.100 -0.371 0.000 0.660 524 G HN 0.662 nan 8.290 nan 0.000 0.525 525 D N 0.623 120.613 120.400 -0.683 0.000 2.347 525 D HA 0.467 5.107 4.640 -0.000 0.000 0.235 525 D C -0.581 175.368 176.300 -0.587 0.000 1.149 525 D CA -2.097 51.379 54.000 -0.873 0.000 0.850 525 D CB 1.410 42.054 40.800 -0.259 0.000 1.061 525 D HN 0.095 nan 8.370 nan 0.000 0.487 526 P HA -0.112 nan 4.420 nan 0.000 0.221 526 P C 0.361 177.468 177.300 -0.321 0.000 1.145 526 P CA 1.210 63.929 63.100 -0.635 0.000 0.795 526 P CB 0.146 31.444 31.700 -0.671 0.000 0.775 527 H N -2.646 116.305 119.070 -0.198 0.000 2.535 527 H HA 0.106 4.662 4.556 -0.000 0.000 0.273 527 H C 0.321 175.661 175.328 0.021 0.000 0.983 527 H CA -0.004 55.909 56.048 -0.226 0.000 1.238 527 H CB -0.562 28.982 29.762 -0.363 0.000 1.412 527 H HN 0.109 nan 8.280 nan 0.000 0.562 528 c N 2.139 120.803 118.600 0.107 0.000 2.285 528 c HA 0.704 5.274 4.570 -0.000 0.000 0.335 528 c C 1.267 175.429 174.090 0.120 0.000 1.267 528 c CA -0.700 55.714 56.329 0.142 0.000 1.762 528 c CB 0.146 42.713 42.510 0.095 0.000 2.365 528 c HN 0.615 nan 8.230 nan 0.000 0.527 529 G N 1.597 110.515 108.800 0.197 0.000 2.788 529 G HA2 0.616 4.575 3.960 -0.000 0.000 0.293 529 G HA3 0.616 4.575 3.960 -0.000 0.000 0.293 529 G C -1.547 173.186 174.900 -0.278 0.000 1.305 529 G CA -0.418 44.564 45.100 -0.196 0.000 1.005 529 G HN 0.808 nan 8.290 nan 0.000 0.496 530 W N 0.848 121.713 121.300 -0.725 0.000 2.314 530 W HA 0.430 5.090 4.660 -0.000 0.000 0.310 530 W C -0.754 175.539 176.519 -0.378 0.000 1.075 530 W CA -1.245 55.866 57.345 -0.389 0.000 1.253 530 W CB 1.413 30.731 29.460 -0.236 0.000 1.238 530 W HN 0.447 nan 8.180 nan 0.000 0.440 531 c N 7.290 125.483 118.600 -0.678 0.000 2.252 531 c HA 0.385 4.955 4.570 -0.000 0.000 0.342 531 c C 1.596 175.374 174.090 -0.521 0.000 1.110 531 c CA 0.445 56.570 56.329 -0.340 0.000 1.581 531 c CB -1.126 41.295 42.510 -0.149 0.000 2.087 531 c HN 0.808 nan 8.230 nan 0.000 0.500 532 A N 4.969 127.651 122.820 -0.230 0.000 1.873 532 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 532 A C 2.056 179.579 177.584 -0.102 0.000 1.193 532 A CA 1.636 53.651 52.037 -0.036 0.000 0.629 532 A CB -0.490 18.543 19.000 0.055 0.000 0.826 532 A HN 0.858 nan 8.150 nan 0.000 0.447 533 L N -1.953 119.133 121.223 -0.229 0.000 2.395 533 L HA -0.057 4.283 4.340 -0.000 0.000 0.218 533 L C 1.823 178.485 176.870 -0.348 0.000 1.130 533 L CA 0.979 55.573 54.840 -0.410 0.000 0.826 533 L CB -0.304 41.477 42.059 -0.464 0.000 0.941 533 L HN 0.548 nan 8.230 nan 0.000 0.451 534 H N -1.332 117.634 119.070 -0.174 0.000 2.551 534 H HA 0.073 4.629 4.556 -0.000 0.000 0.271 534 H C 0.451 175.688 175.328 -0.152 0.000 0.984 534 H CA -0.160 55.806 56.048 -0.137 0.000 1.164 534 H CB 0.179 29.855 29.762 -0.143 0.000 1.437 534 H HN 0.157 nan 8.280 nan 0.000 0.550 535 N N 1.071 119.708 118.700 -0.105 0.000 2.696 535 N HA -0.215 4.525 4.740 -0.000 0.000 0.256 535 N C -0.901 174.349 175.510 -0.434 0.000 1.031 535 N CA 0.655 53.664 53.050 -0.068 0.000 0.730 535 N CB -0.593 38.022 38.487 0.213 0.000 0.894 535 N HN 0.490 nan 8.380 nan 0.000 0.544 536 M N 0.690 119.649 119.600 -1.069 0.000 2.371 536 M HA 0.362 4.842 4.480 -0.000 0.000 0.287 536 M C -1.180 174.602 176.300 -0.862 0.000 1.149 536 M CA -0.858 54.012 55.300 -0.716 0.000 0.929 536 M CB 1.536 33.960 32.600 -0.293 0.000 1.683 536 M HN 0.265 nan 8.290 nan 0.000 0.470 537 c N 4.377 122.812 118.600 -0.275 0.000 2.303 537 c HA 0.869 5.439 4.570 -0.000 0.000 0.341 537 c C 0.047 174.194 174.090 0.095 0.000 1.244 537 c CA 0.368 56.754 56.329 0.096 0.000 1.765 537 c CB -0.697 42.081 42.510 0.448 0.000 2.379 537 c HN 0.897 nan 8.230 nan 0.000 0.530 538 S N 5.689 121.470 115.700 0.135 0.000 2.672 538 S HA 0.607 5.077 4.470 -0.000 0.000 0.271 538 S C -1.043 173.724 174.600 0.277 0.000 1.171 538 S CA -0.966 57.331 58.200 0.161 0.000 0.817 538 S CB 0.782 64.038 63.200 0.093 0.000 1.150 538 S HN 0.847 nan 8.310 nan 0.000 0.478 539 R N 0.392 121.003 120.500 0.184 0.000 2.694 539 R HA 0.313 4.653 4.340 -0.000 0.000 0.268 539 R C 1.718 178.066 176.300 0.079 0.000 1.061 539 R CA -0.319 55.890 56.100 0.182 0.000 1.133 539 R CB 0.297 30.656 30.300 0.098 0.000 1.020 539 R HN 0.751 nan 8.270 nan 0.000 0.475 540 R N 1.795 122.222 120.500 -0.123 0.000 2.096 540 R HA -0.194 4.146 4.340 -0.000 0.000 0.240 540 R C 1.084 177.178 176.300 -0.344 0.000 1.139 540 R CA 2.382 58.028 56.100 -0.756 0.000 0.952 540 R CB -0.184 29.730 30.300 -0.644 0.000 0.854 540 R HN 0.773 nan 8.270 nan 0.000 0.436 541 D N -0.454 119.875 120.400 -0.119 0.000 2.371 541 D HA -0.139 4.501 4.640 -0.000 0.000 0.221 541 D C 0.994 177.284 176.300 -0.016 0.000 0.986 541 D CA 0.800 54.778 54.000 -0.037 0.000 0.899 541 D CB -0.005 40.797 40.800 0.003 0.000 0.902 541 D HN 0.206 nan 8.370 nan 0.000 0.530 542 K N -0.407 119.978 120.400 -0.024 0.000 2.367 542 K HA 0.107 4.427 4.320 -0.000 0.000 0.194 542 K C -0.004 176.577 176.600 -0.033 0.000 1.027 542 K CA -0.161 56.116 56.287 -0.017 0.000 1.075 542 K CB 0.533 33.031 32.500 -0.003 0.000 0.845 542 K HN 0.104 nan 8.250 nan 0.000 0.529 543 c N 2.241 120.821 118.600 -0.032 0.000 2.265 543 c HA 0.266 4.836 4.570 -0.000 0.000 0.332 543 c C 0.009 174.081 174.090 -0.030 0.000 1.248 543 c CA -0.880 55.442 56.329 -0.012 0.000 1.727 543 c CB -0.393 42.193 42.510 0.128 0.000 2.348 543 c HN 0.455 nan 8.230 nan 0.000 0.519 544 Q N 4.863 124.624 119.800 -0.065 0.000 2.300 544 Q HA 0.134 4.474 4.340 -0.000 0.000 0.280 544 Q C 0.356 176.247 176.000 -0.182 0.000 1.033 544 Q CA 0.574 56.347 55.803 -0.049 0.000 0.903 544 Q CB 0.417 29.131 28.738 -0.040 0.000 1.195 544 Q HN 0.833 nan 8.270 nan 0.000 0.386 545 R N 1.392 121.591 120.500 -0.502 0.000 3.770 545 R HA -0.252 4.087 4.340 -0.000 0.000 0.305 545 R C 0.588 176.317 176.300 -0.951 0.000 1.184 545 R CA 0.835 56.187 56.100 -1.248 0.000 0.823 545 R CB -2.640 27.256 30.300 -0.674 0.000 1.285 545 R HN 0.767 nan 8.270 nan 0.000 0.499 546 A N 0.091 122.641 122.820 -0.449 0.000 2.070 546 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 546 A C 1.816 179.368 177.584 -0.053 0.000 1.159 546 A CA 1.368 53.327 52.037 -0.130 0.000 0.656 546 A CB -0.721 18.203 19.000 -0.126 0.000 0.800 546 A HN 0.684 nan 8.150 nan 0.000 0.453 547 W N 0.175 121.464 121.300 -0.018 0.000 2.800 547 W HA 0.318 4.978 4.660 -0.000 0.000 0.249 547 W C 0.269 176.794 176.519 0.010 0.000 1.294 547 W CA 0.110 57.449 57.345 -0.010 0.000 1.402 547 W CB -0.195 29.252 29.460 -0.022 0.000 1.126 547 W HN 0.169 nan 8.180 nan 0.000 0.652 548 E N 1.070 121.010 120.200 -0.434 0.000 2.318 548 E HA 0.406 4.756 4.350 -0.000 0.000 0.265 548 E C 0.165 176.696 176.600 -0.115 0.000 1.069 548 E CA -0.670 55.570 56.400 -0.267 0.000 0.893 548 E CB 1.008 30.468 29.700 -0.400 0.000 1.076 548 E HN 0.047 nan 8.360 nan 0.000 0.414 549 A N 3.091 125.876 122.820 -0.058 0.000 2.573 549 A HA -0.116 4.203 4.320 -0.000 0.000 0.250 549 A C 0.322 177.891 177.584 -0.026 0.000 1.049 549 A CA 0.047 52.072 52.037 -0.021 0.000 0.767 549 A CB -0.382 18.610 19.000 -0.013 0.000 0.965 549 A HN 0.791 nan 8.150 nan 0.000 0.514 550 N N 0.399 119.105 118.700 0.010 0.000 2.713 550 N HA -0.173 4.567 4.740 -0.000 0.000 0.251 550 N C 0.851 176.368 175.510 0.012 0.000 1.117 550 N CA 1.318 54.380 53.050 0.021 0.000 0.770 550 N CB -0.494 38.000 38.487 0.012 0.000 1.137 550 N HN 0.771 nan 8.380 nan 0.000 0.566 551 R N -0.698 119.803 120.500 0.001 0.000 2.193 551 R HA 0.154 4.494 4.340 -0.000 0.000 0.213 551 R C 0.372 176.741 176.300 0.114 0.000 1.055 551 R CA 0.510 56.604 56.100 -0.010 0.000 0.995 551 R CB -0.038 30.203 30.300 -0.099 0.000 0.893 551 R HN 0.291 nan 8.270 nan 0.000 0.459 552 F N 0.211 120.153 119.950 -0.015 0.000 2.539 552 F HA 0.509 5.036 4.527 -0.000 0.000 0.328 552 F C -0.977 174.867 175.800 0.073 0.000 1.148 552 F CA -1.289 56.727 58.000 0.027 0.000 0.940 552 F CB 1.364 40.379 39.000 0.024 0.000 1.194 552 F HN -0.128 nan 8.300 nan 0.000 0.438 553 A N 3.866 126.516 122.820 -0.282 0.000 2.274 553 A HA 0.689 5.009 4.320 -0.000 0.000 0.309 553 A C 0.327 177.749 177.584 -0.269 0.000 1.226 553 A CA 0.169 52.119 52.037 -0.145 0.000 0.853 553 A CB 0.820 19.805 19.000 -0.025 0.000 1.146 553 A HN 1.122 nan 8.150 nan 0.000 0.518 554 A N 1.811 124.593 122.820 -0.065 0.000 2.303 554 A HA 0.518 4.838 4.320 -0.000 0.000 0.217 554 A C 0.942 178.512 177.584 -0.023 0.000 1.205 554 A CA 0.844 52.879 52.037 -0.004 0.000 0.875 554 A CB -0.030 19.051 19.000 0.136 0.000 0.910 554 A HN 1.180 nan 8.150 nan 0.000 0.501 555 S N -1.275 114.403 115.700 -0.037 0.000 2.541 555 S HA 0.452 4.922 4.470 -0.000 0.000 0.280 555 S C 0.638 175.198 174.600 -0.067 0.000 1.112 555 S CA -0.491 57.682 58.200 -0.045 0.000 0.925 555 S CB 0.959 64.147 63.200 -0.020 0.000 1.067 555 S HN 0.352 nan 8.310 nan 0.000 0.479 556 I N 4.773 125.292 120.570 -0.084 0.000 2.236 556 I HA -0.166 4.003 4.170 -0.000 0.000 0.249 556 I C 2.329 178.397 176.117 -0.081 0.000 1.102 556 I CA 2.682 63.921 61.300 -0.102 0.000 1.365 556 I CB -0.352 37.587 38.000 -0.102 0.000 1.051 556 I HN 0.839 nan 8.210 nan 0.000 0.420 557 S N -0.818 114.848 115.700 -0.056 0.000 2.474 557 S HA -0.181 4.288 4.470 -0.000 0.000 0.235 557 S C 1.715 176.296 174.600 -0.032 0.000 0.997 557 S CA 0.906 59.081 58.200 -0.041 0.000 0.949 557 S CB -0.566 62.617 63.200 -0.029 0.000 0.766 557 S HN 0.699 nan 8.310 nan 0.000 0.517 558 Q N -0.095 119.685 119.800 -0.032 0.000 2.360 558 Q HA 0.273 4.612 4.340 -0.000 0.000 0.202 558 Q C -0.196 175.795 176.000 -0.015 0.000 0.915 558 Q CA -0.326 55.469 55.803 -0.013 0.000 0.943 558 Q CB 0.112 28.849 28.738 -0.002 0.000 1.064 558 Q HN 0.513 nan 8.270 nan 0.000 0.511 559 c N 1.926 120.493 118.600 -0.055 0.000 2.648 559 c HA 0.151 4.721 4.570 -0.000 0.000 0.419 559 c C 0.857 174.926 174.090 -0.035 0.000 1.352 559 c CA -0.463 55.816 56.329 -0.084 0.000 1.816 559 c CB -0.656 41.748 42.510 -0.176 0.000 2.598 559 c HN 0.481 nan 8.230 nan 0.000 0.598 560 M N 3.438 123.046 119.600 0.014 0.000 2.250 560 M HA 0.205 4.685 4.480 -0.000 0.000 0.325 560 M C 0.620 176.922 176.300 0.005 0.000 1.084 560 M CA 0.905 56.233 55.300 0.047 0.000 1.161 560 M CB 0.478 33.161 32.600 0.138 0.000 1.481 560 M HN 0.910 nan 8.290 nan 0.000 0.449 561 S N 2.147 117.851 115.700 0.007 0.000 2.632 561 S HA 0.841 5.311 4.470 -0.000 0.000 0.289 561 S C -1.236 173.361 174.600 -0.004 0.000 1.115 561 S CA -1.099 57.094 58.200 -0.012 0.000 0.889 561 S CB 2.087 65.276 63.200 -0.019 0.000 1.116 561 S HN 0.586 nan 8.310 nan 0.000 0.486 562 L N 0.923 122.135 121.223 -0.018 0.000 2.376 562 L HA 0.602 4.942 4.340 -0.000 0.000 0.275 562 L C -1.083 175.784 176.870 -0.005 0.000 0.987 562 L CA -0.219 54.608 54.840 -0.021 0.000 0.828 562 L CB 1.560 43.583 42.059 -0.060 0.000 1.249 562 L HN 0.889 nan 8.230 nan 0.000 0.409 563 E N 3.988 124.193 120.200 0.009 0.000 2.151 563 E HA 0.611 4.961 4.350 -0.000 0.000 0.275 563 E C -1.260 175.370 176.600 0.050 0.000 0.936 563 E CA -0.734 55.684 56.400 0.030 0.000 0.777 563 E CB 2.290 32.005 29.700 0.026 0.000 1.108 563 E HN 0.388 nan 8.360 nan 0.000 0.401 564 V N 2.602 122.568 119.914 0.087 0.000 2.555 564 V HA 0.371 4.491 4.120 -0.000 0.000 0.302 564 V C -0.878 175.342 176.094 0.210 0.000 1.038 564 V CA -0.846 61.527 62.300 0.121 0.000 0.887 564 V CB 1.473 33.380 31.823 0.139 0.000 0.991 564 V HN 0.672 nan 8.190 nan 0.000 0.434 565 H N 5.345 124.465 119.070 0.083 0.000 2.782 565 H HA 0.595 5.151 4.556 -0.000 0.000 0.347 565 H C -2.753 172.641 175.328 0.110 0.000 1.038 565 H CA -1.336 54.767 56.048 0.092 0.000 1.255 565 H CB 2.876 32.674 29.762 0.060 0.000 1.623 565 H HN 0.485 nan 8.280 nan 0.000 0.525 566 P HA 0.088 nan 4.420 nan 0.000 0.276 566 P C -0.205 177.116 177.300 0.034 0.000 1.252 566 P CA -0.434 62.396 63.100 -0.450 0.000 0.802 566 P CB 1.161 32.660 31.700 -0.335 0.000 1.035 567 N N -1.297 117.422 118.700 0.031 0.000 2.270 567 N HA 0.035 4.775 4.740 -0.000 0.000 0.198 567 N C -0.424 174.964 175.510 -0.203 0.000 1.117 567 N CA -0.284 52.822 53.050 0.093 0.000 0.845 567 N CB -0.246 38.293 38.487 0.086 0.000 0.980 567 N HN 0.377 nan 8.380 nan 0.000 0.486 568 S N -0.325 115.216 115.700 -0.264 0.000 2.542 568 S HA 0.639 5.109 4.470 -0.000 0.000 0.276 568 S C -0.748 173.743 174.600 -0.182 0.000 1.148 568 S CA -1.169 56.768 58.200 -0.437 0.000 0.886 568 S CB 0.736 63.924 63.200 -0.020 0.000 1.109 568 S HN 0.334 nan 8.310 nan 0.000 0.458 569 I N -0.892 119.436 120.570 -0.404 0.000 2.865 569 I HA 0.761 4.931 4.170 -0.000 0.000 0.302 569 I C -0.016 175.538 176.117 -0.938 0.000 1.140 569 I CA -0.861 60.230 61.300 -0.347 0.000 1.021 569 I CB 1.981 39.872 38.000 -0.183 0.000 1.233 569 I HN 0.679 nan 8.210 nan 0.000 0.427 570 S N 2.343 117.363 115.700 -1.134 0.000 2.558 570 S HA 0.104 4.574 4.470 -0.000 0.000 0.288 570 S C 1.355 175.616 174.600 -0.564 0.000 1.318 570 S CA -0.138 57.331 58.200 -1.218 0.000 1.056 570 S CB 1.006 63.606 63.200 -1.000 0.000 0.853 570 S HN 0.752 nan 8.310 nan 0.000 0.505 571 V N 3.686 123.384 119.914 -0.360 0.000 2.469 571 V HA -0.078 4.042 4.120 -0.000 0.000 0.251 571 V C 2.004 178.038 176.094 -0.101 0.000 1.064 571 V CA 2.086 64.331 62.300 -0.091 0.000 1.066 571 V CB -1.365 30.402 31.823 -0.094 0.000 0.667 571 V HN 0.785 nan 8.190 nan 0.000 0.461 572 S N 0.065 115.649 115.700 -0.194 0.000 2.522 572 S HA -0.012 4.458 4.470 -0.000 0.000 0.227 572 S C 1.054 175.608 174.600 -0.077 0.000 0.986 572 S CA 0.936 59.076 58.200 -0.100 0.000 0.929 572 S CB -0.386 62.774 63.200 -0.067 0.000 0.769 572 S HN 0.747 nan 8.310 nan 0.000 0.529 573 D N 2.006 122.264 120.400 -0.237 0.000 2.767 573 D HA 0.133 4.773 4.640 -0.000 0.000 0.241 573 D C 0.197 176.457 176.300 -0.068 0.000 1.187 573 D CA -0.573 53.320 54.000 -0.179 0.000 0.999 573 D CB -0.431 40.202 40.800 -0.278 0.000 1.042 573 D HN 0.571 nan 8.370 nan 0.000 0.510 574 H N -1.723 117.316 119.070 -0.051 0.000 2.544 574 H HA 0.488 5.044 4.556 -0.000 0.000 0.365 574 H C 0.721 176.032 175.328 -0.028 0.000 1.268 574 H CA -0.536 55.494 56.048 -0.029 0.000 1.400 574 H CB 0.731 30.465 29.762 -0.047 0.000 1.538 574 H HN -0.065 nan 8.280 nan 0.000 0.597 575 S N -0.041 115.664 115.700 0.008 0.000 3.581 575 S HA -0.204 4.266 4.470 -0.000 0.000 0.354 575 S C 0.050 174.600 174.600 -0.083 0.000 1.059 575 S CA 0.511 58.681 58.200 -0.050 0.000 1.060 575 S CB -1.264 61.900 63.200 -0.060 0.000 0.908 575 S HN 0.643 nan 8.310 nan 0.000 0.475 576 R N 0.412 120.881 120.500 -0.053 0.000 2.539 576 R HA 0.393 4.733 4.340 -0.000 0.000 0.275 576 R C 0.566 176.865 176.300 -0.003 0.000 1.077 576 R CA -0.387 55.698 56.100 -0.025 0.000 1.097 576 R CB 0.277 30.582 30.300 0.008 0.000 1.018 576 R HN 0.400 nan 8.270 nan 0.000 0.483 577 L N 4.606 125.834 121.223 0.008 0.000 2.319 577 L HA 0.324 4.664 4.340 -0.000 0.000 0.280 577 L C 0.090 176.982 176.870 0.038 0.000 1.099 577 L CA -0.167 54.687 54.840 0.024 0.000 0.828 577 L CB 0.428 42.501 42.059 0.023 0.000 1.150 577 L HN 0.244 nan 8.230 nan 0.000 0.442 578 L N 2.427 123.675 121.223 0.042 0.000 2.334 578 L HA 0.464 4.804 4.340 -0.000 0.000 0.273 578 L C 0.113 177.012 176.870 0.047 0.000 1.013 578 L CA -0.425 54.443 54.840 0.046 0.000 0.816 578 L CB 1.942 44.008 42.059 0.012 0.000 1.278 578 L HN 0.477 nan 8.230 nan 0.000 0.431 579 S N 3.095 118.838 115.700 0.071 0.000 2.448 579 S HA 0.533 5.003 4.470 -0.000 0.000 0.320 579 S C -0.634 174.002 174.600 0.060 0.000 1.071 579 S CA -0.678 57.563 58.200 0.069 0.000 1.113 579 S CB 0.226 63.482 63.200 0.093 0.000 0.972 579 S HN 0.348 nan 8.310 nan 0.000 0.465 580 L N 5.846 127.085 121.223 0.027 0.000 2.282 580 L HA 0.577 4.917 4.340 -0.000 0.000 0.288 580 L C -0.465 176.416 176.870 0.018 0.000 1.033 580 L CA -0.613 54.232 54.840 0.008 0.000 0.807 580 L CB 1.433 43.473 42.059 -0.033 0.000 1.209 580 L HN 0.412 nan 8.230 nan 0.000 0.423 581 V N 4.222 124.149 119.914 0.021 0.000 2.459 581 V HA 0.404 4.524 4.120 -0.000 0.000 0.295 581 V C 0.103 176.211 176.094 0.023 0.000 1.029 581 V CA -0.760 61.554 62.300 0.023 0.000 0.874 581 V CB 2.387 34.223 31.823 0.022 0.000 0.985 581 V HN 0.444 nan 8.190 nan 0.000 0.438 582 V N 4.483 124.419 119.914 0.038 0.000 2.333 582 V HA 0.325 4.445 4.120 -0.000 0.000 0.274 582 V C 0.219 176.344 176.094 0.052 0.000 1.028 582 V CA -0.778 61.556 62.300 0.056 0.000 0.851 582 V CB 0.596 32.488 31.823 0.114 0.000 1.000 582 V HN 0.931 nan 8.190 nan 0.000 0.456 583 N N 4.026 122.749 118.700 0.039 0.000 2.530 583 N HA 0.243 4.983 4.740 -0.000 0.000 0.273 583 N C 0.000 175.534 175.510 0.039 0.000 1.173 583 N CA -0.302 52.766 53.050 0.030 0.000 0.967 583 N CB 0.275 38.770 38.487 0.015 0.000 1.109 583 N HN 0.717 nan 8.380 nan 0.000 0.453 584 D N -1.360 119.059 120.400 0.031 0.000 2.837 584 D HA -0.205 4.435 4.640 -0.000 0.000 0.230 584 D C -0.528 175.800 176.300 0.047 0.000 1.152 584 D CA 0.608 54.627 54.000 0.033 0.000 0.736 584 D CB -1.204 39.612 40.800 0.027 0.000 1.084 584 D HN 0.578 nan 8.370 nan 0.000 0.429 585 A N 0.364 123.213 122.820 0.049 0.000 2.279 585 A HA 0.716 5.036 4.320 -0.000 0.000 0.303 585 A C -1.840 175.749 177.584 0.009 0.000 1.108 585 A CA -0.908 51.160 52.037 0.053 0.000 0.830 585 A CB 1.126 20.178 19.000 0.085 0.000 1.106 585 A HN 0.000 nan 8.150 nan 0.000 0.493 586 P HA 0.190 nan 4.420 nan 0.000 0.301 586 P C -0.705 176.552 177.300 -0.071 0.000 1.309 586 P CA -0.841 62.219 63.100 -0.066 0.000 0.782 586 P CB 0.369 31.998 31.700 -0.118 0.000 1.282 587 N N -0.196 118.457 118.700 -0.078 0.000 2.365 587 N HA -0.046 4.694 4.740 -0.000 0.000 0.265 587 N C 0.539 175.998 175.510 -0.085 0.000 1.288 587 N CA 0.467 53.477 53.050 -0.066 0.000 0.869 587 N CB -0.504 37.944 38.487 -0.066 0.000 1.071 587 N HN 0.270 nan 8.380 nan 0.000 0.480 588 L N 2.237 123.432 121.223 -0.047 0.000 2.640 588 L HA 0.093 4.433 4.340 -0.000 0.000 0.230 588 L C 1.937 178.796 176.870 -0.019 0.000 1.123 588 L CA 0.037 54.856 54.840 -0.035 0.000 0.900 588 L CB -0.300 41.777 42.059 0.029 0.000 1.146 588 L HN 0.652 nan 8.230 nan 0.000 0.484 589 S N -0.494 115.193 115.700 -0.021 0.000 2.465 589 S HA -0.153 4.316 4.470 -0.000 0.000 0.241 589 S C 1.566 176.159 174.600 -0.012 0.000 1.000 589 S CA 0.796 58.990 58.200 -0.010 0.000 0.964 589 S CB -0.178 63.016 63.200 -0.010 0.000 0.763 589 S HN 0.394 nan 8.310 nan 0.000 0.512 590 E N 1.560 121.744 120.200 -0.026 0.000 2.204 590 E HA 0.200 4.550 4.350 -0.000 0.000 0.194 590 E C 1.200 177.795 176.600 -0.009 0.000 0.989 590 E CA 0.902 57.287 56.400 -0.024 0.000 0.824 590 E CB -0.531 29.142 29.700 -0.045 0.000 0.756 590 E HN 0.766 nan 8.360 nan 0.000 0.477 591 G N 0.183 108.983 108.800 0.000 0.000 2.326 591 G HA2 0.177 4.137 3.960 -0.000 0.000 0.478 591 G HA3 0.177 4.137 3.960 -0.000 0.000 0.478 591 G C -1.269 173.655 174.900 0.040 0.000 1.551 591 G CA -0.837 44.273 45.100 0.018 0.000 0.946 591 G HN -0.034 nan 8.290 nan 0.000 0.671 592 I N 0.623 121.225 120.570 0.053 0.000 2.686 592 I HA 0.796 4.966 4.170 -0.000 0.000 0.295 592 I C 0.286 176.435 176.117 0.053 0.000 1.114 592 I CA -0.847 60.501 61.300 0.081 0.000 1.038 592 I CB 1.772 39.829 38.000 0.094 0.000 1.238 592 I HN 1.210 nan 8.210 nan 0.000 0.420 593 A N 4.526 127.374 122.820 0.048 0.000 2.386 593 A HA 0.722 5.042 4.320 -0.000 0.000 0.311 593 A C -0.986 176.595 177.584 -0.005 0.000 1.068 593 A CA -0.390 51.665 52.037 0.030 0.000 0.743 593 A CB 1.327 20.349 19.000 0.036 0.000 1.258 593 A HN 0.733 nan 8.150 nan 0.000 0.429 594 c N 1.764 120.361 118.600 -0.004 0.000 2.319 594 c HA 0.777 5.347 4.570 -0.000 0.000 0.335 594 c C 0.810 174.876 174.090 -0.039 0.000 1.274 594 c CA -0.373 55.905 56.329 -0.086 0.000 1.806 594 c CB 0.127 42.581 42.510 -0.094 0.000 2.329 594 c HN 0.979 nan 8.230 nan 0.000 0.524 595 A N 2.739 125.479 122.820 -0.132 0.000 2.304 595 A HA 0.759 5.079 4.320 -0.000 0.000 0.314 595 A C -0.804 176.716 177.584 -0.108 0.000 1.187 595 A CA -0.325 51.698 52.037 -0.024 0.000 0.810 595 A CB 0.178 19.171 19.000 -0.011 0.000 1.183 595 A HN 0.768 nan 8.150 nan 0.000 0.487 596 F N 3.386 123.354 119.950 0.029 0.000 2.406 596 F HA 0.453 4.980 4.527 -0.000 0.000 0.358 596 F C 1.577 177.444 175.800 0.111 0.000 1.161 596 F CA 0.994 59.045 58.000 0.085 0.000 1.185 596 F CB 0.579 39.652 39.000 0.122 0.000 1.421 596 F HN 1.073 nan 8.300 nan 0.000 0.576 597 G N 3.211 112.128 108.800 0.195 0.000 2.652 597 G HA2 -0.457 3.503 3.960 -0.000 0.000 0.318 597 G HA3 -0.457 3.503 3.960 -0.000 0.000 0.318 597 G C 1.133 176.112 174.900 0.131 0.000 1.295 597 G CA 0.861 46.059 45.100 0.163 0.000 0.999 597 G HN 0.528 nan 8.290 nan 0.000 0.548 598 N N 0.586 119.360 118.700 0.123 0.000 2.416 598 N HA 0.133 4.873 4.740 -0.000 0.000 0.177 598 N C 2.349 177.908 175.510 0.082 0.000 1.036 598 N CA 1.088 54.190 53.050 0.086 0.000 0.901 598 N CB -0.214 38.313 38.487 0.067 0.000 0.976 598 N HN 0.514 nan 8.380 nan 0.000 0.444 599 L N -0.799 120.487 121.223 0.105 0.000 2.083 599 L HA -0.032 4.308 4.340 -0.000 0.000 0.209 599 L C 0.166 177.070 176.870 0.057 0.000 1.083 599 L CA 0.972 55.846 54.840 0.057 0.000 0.752 599 L CB -0.405 41.677 42.059 0.039 0.000 0.899 599 L HN 0.024 nan 8.230 nan 0.000 0.433 600 T N -1.184 113.446 114.554 0.127 0.000 2.942 600 T HA 0.323 4.673 4.350 -0.000 0.000 0.327 600 T C -1.333 173.473 174.700 0.177 0.000 1.360 600 T CA -0.647 61.528 62.100 0.125 0.000 1.055 600 T CB 2.903 71.826 68.868 0.091 0.000 1.261 600 T HN 0.120 nan 8.240 nan 0.000 0.485 601 E N 1.966 122.241 120.200 0.125 0.000 2.317 601 E HA 0.571 4.921 4.350 -0.000 0.000 0.270 601 E C -1.193 175.464 176.600 0.094 0.000 0.899 601 E CA -0.710 55.760 56.400 0.116 0.000 0.814 601 E CB 1.007 30.750 29.700 0.072 0.000 1.296 601 E HN 0.520 nan 8.360 nan 0.000 0.404 602 V N 0.913 120.897 119.914 0.116 0.000 2.715 602 V HA 0.545 4.665 4.120 -0.000 0.000 0.310 602 V C 0.031 176.166 176.094 0.069 0.000 1.054 602 V CA -1.047 61.304 62.300 0.084 0.000 0.928 602 V CB 1.727 33.605 31.823 0.091 0.000 1.007 602 V HN 0.763 nan 8.190 nan 0.000 0.437 603 E N 1.970 122.200 120.200 0.049 0.000 2.366 603 E HA 0.430 4.780 4.350 -0.000 0.000 0.266 603 E C 0.446 177.071 176.600 0.042 0.000 1.015 603 E CA 0.173 56.598 56.400 0.041 0.000 0.906 603 E CB 0.767 30.486 29.700 0.032 0.000 0.979 603 E HN 1.125 nan 8.360 nan 0.000 0.443 604 G N 3.043 111.866 108.800 0.038 0.000 2.476 604 G HA2 0.189 4.148 3.960 -0.000 0.000 0.286 604 G HA3 0.189 4.148 3.960 -0.000 0.000 0.286 604 G C -0.723 174.196 174.900 0.031 0.000 1.177 604 G CA -0.503 44.618 45.100 0.035 0.000 0.870 604 G HN 0.544 nan 8.290 nan 0.000 0.528 605 Q N 0.080 119.897 119.800 0.029 0.000 2.278 605 Q HA 0.511 4.851 4.340 -0.000 0.000 0.257 605 Q C -1.053 174.963 176.000 0.026 0.000 0.928 605 Q CA -0.477 55.341 55.803 0.025 0.000 0.932 605 Q CB 1.788 30.540 28.738 0.024 0.000 1.221 605 Q HN 0.265 nan 8.270 nan 0.000 0.434 606 V N 3.904 123.832 119.914 0.024 0.000 2.417 606 V HA 0.587 4.706 4.120 -0.000 0.000 0.291 606 V C -0.783 175.323 176.094 0.021 0.000 1.024 606 V CA -0.600 61.715 62.300 0.026 0.000 0.861 606 V CB 1.749 33.588 31.823 0.027 0.000 0.985 606 V HN 0.890 nan 8.190 nan 0.000 0.436 607 S N 3.749 119.462 115.700 0.022 0.000 2.746 607 S HA 0.691 5.161 4.470 -0.000 0.000 0.273 607 S C 0.621 175.232 174.600 0.018 0.000 1.172 607 S CA 0.013 58.224 58.200 0.018 0.000 1.116 607 S CB 1.215 64.426 63.200 0.018 0.000 1.057 607 S HN 1.507 nan 8.310 nan 0.000 0.483 608 G N 3.356 112.165 108.800 0.016 0.000 2.622 608 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.307 608 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.307 608 G C 0.890 175.803 174.900 0.022 0.000 1.226 608 G CA 0.487 45.596 45.100 0.015 0.000 0.997 608 G HN 1.456 nan 8.290 nan 0.000 0.551 609 S N 0.196 115.910 115.700 0.024 0.000 2.660 609 S HA 0.402 4.871 4.470 -0.000 0.000 0.227 609 S C 0.641 175.263 174.600 0.036 0.000 0.948 609 S CA 1.172 59.393 58.200 0.035 0.000 0.948 609 S CB 0.491 63.710 63.200 0.032 0.000 0.779 609 S HN 0.867 nan 8.310 nan 0.000 0.487 610 Q N 1.175 120.993 119.800 0.030 0.000 2.293 610 Q HA 0.592 4.932 4.340 -0.000 0.000 0.261 610 Q C -1.659 174.358 176.000 0.030 0.000 0.960 610 Q CA -0.600 55.221 55.803 0.029 0.000 0.882 610 Q CB 1.694 30.448 28.738 0.025 0.000 1.275 610 Q HN 0.257 nan 8.270 nan 0.000 0.445 611 V N 5.406 125.336 119.914 0.026 0.000 2.680 611 V HA 0.534 4.654 4.120 -0.000 0.000 0.309 611 V C -0.330 175.775 176.094 0.019 0.000 1.052 611 V CA -0.704 61.610 62.300 0.022 0.000 0.908 611 V CB 1.946 33.779 31.823 0.016 0.000 1.001 611 V HN 0.750 nan 8.190 nan 0.000 0.431 612 I N 3.381 123.965 120.570 0.023 0.000 2.436 612 I HA 0.600 4.770 4.170 -0.000 0.000 0.289 612 I C -0.761 175.376 176.117 0.032 0.000 1.010 612 I CA -0.221 61.095 61.300 0.027 0.000 1.098 612 I CB 1.814 39.832 38.000 0.030 0.000 1.266 612 I HN 0.595 nan 8.210 nan 0.000 0.434 613 c N 5.968 124.593 118.600 0.042 0.000 2.802 613 c HA 0.594 5.164 4.570 -0.000 0.000 0.307 613 c C 0.000 174.143 174.090 0.089 0.000 1.222 613 c CA -0.919 55.456 56.329 0.077 0.000 1.580 613 c CB 1.536 44.106 42.510 0.101 0.000 2.119 613 c HN 0.550 nan 8.230 nan 0.000 0.479 614 I N 2.753 123.371 120.570 0.081 0.000 2.342 614 I HA 0.320 4.489 4.170 -0.000 0.000 0.291 614 I C 0.960 177.051 176.117 -0.043 0.000 1.010 614 I CA 0.426 61.741 61.300 0.026 0.000 1.308 614 I CB 1.098 39.103 38.000 0.008 0.000 1.400 614 I HN 0.874 nan 8.210 nan 0.000 0.488 615 S N 6.755 122.379 115.700 -0.126 0.000 2.600 615 S HA 0.395 4.865 4.470 -0.000 0.000 0.265 615 S C -2.441 171.925 174.600 -0.389 0.000 1.325 615 S CA -1.175 56.766 58.200 -0.432 0.000 1.002 615 S CB 0.542 63.636 63.200 -0.178 0.000 0.921 615 S HN 0.304 nan 8.310 nan 0.000 0.554 616 P HA 0.223 nan 4.420 nan 0.000 0.266 616 P C 0.399 177.642 177.300 -0.095 0.000 1.193 616 P CA 0.182 63.105 63.100 -0.296 0.000 0.770 616 P CB -0.008 31.521 31.700 -0.285 0.000 0.836 617 G N 3.243 111.998 108.800 -0.075 0.000 2.562 617 G HA2 0.236 4.196 3.960 -0.000 0.000 0.275 617 G HA3 0.236 4.196 3.960 -0.000 0.000 0.275 617 G C -1.528 173.256 174.900 -0.193 0.000 1.196 617 G CA -1.181 43.896 45.100 -0.038 0.000 0.908 617 G HN 0.289 nan 8.290 nan 0.000 0.524 618 P HA -0.178 nan 4.420 nan 0.000 0.216 618 P C 1.475 178.618 177.300 -0.262 0.000 1.157 618 P CA 1.282 64.108 63.100 -0.458 0.000 0.880 618 P CB 0.190 31.546 31.700 -0.573 0.000 0.791 619 K N -0.365 119.911 120.400 -0.206 0.000 2.152 619 K HA -0.116 4.203 4.320 -0.000 0.000 0.206 619 K C 1.501 178.005 176.600 -0.159 0.000 1.048 619 K CA 1.210 57.403 56.287 -0.156 0.000 0.933 619 K CB -0.732 31.697 32.500 -0.118 0.000 0.721 619 K HN 0.236 nan 8.250 nan 0.000 0.447 620 D N 0.279 120.578 120.400 -0.168 0.000 2.366 620 D HA -0.029 4.611 4.640 -0.000 0.000 0.205 620 D C 0.541 176.697 176.300 -0.240 0.000 1.022 620 D CA 0.066 53.965 54.000 -0.169 0.000 0.868 620 D CB 0.166 40.886 40.800 -0.133 0.000 0.953 620 D HN 0.005 nan 8.370 nan 0.000 0.514 621 V N 0.645 120.391 119.914 -0.280 0.000 2.901 621 V HA 0.197 4.317 4.120 -0.000 0.000 0.307 621 V C -2.177 173.622 176.094 -0.493 0.000 1.084 621 V CA -1.226 60.814 62.300 -0.434 0.000 1.184 621 V CB -0.037 31.582 31.823 -0.340 0.000 0.941 621 V HN -0.094 nan 8.190 nan 0.000 0.493 622 P HA 0.366 nan 4.420 nan 0.000 0.274 622 P C -0.409 176.517 177.300 -0.624 0.000 1.237 622 P CA -0.261 62.380 63.100 -0.765 0.000 0.793 622 P CB 1.283 32.208 31.700 -1.291 0.000 0.977 623 V N -0.143 119.451 119.914 -0.534 0.000 2.567 623 V HA 0.405 4.525 4.120 -0.000 0.000 0.289 623 V C 0.389 176.271 176.094 -0.354 0.000 1.049 623 V CA -0.825 61.263 62.300 -0.354 0.000 0.969 623 V CB 0.650 32.333 31.823 -0.233 0.000 0.995 623 V HN 0.248 nan 8.190 nan 0.000 0.471 624 I N 4.628 125.082 120.570 -0.194 0.000 2.396 624 I HA 0.447 4.616 4.170 -0.000 0.000 0.292 624 I C -1.947 174.142 176.117 -0.047 0.000 0.999 624 I CA -1.960 59.294 61.300 -0.077 0.000 1.310 624 I CB 0.961 38.954 38.000 -0.010 0.000 1.404 624 I HN 0.613 nan 8.210 nan 0.000 0.496 625 P HA 0.292 nan 4.420 nan 0.000 0.292 625 P C -0.433 176.850 177.300 -0.028 0.000 1.326 625 P CA -0.555 62.532 63.100 -0.023 0.000 0.787 625 P CB 1.614 33.306 31.700 -0.015 0.000 0.903 630 W N 0.260 121.683 121.300 0.205 0.000 3.098 630 W HA 0.725 5.385 4.660 -0.000 0.000 0.367 630 W C -1.734 174.949 176.519 0.273 0.000 1.163 630 W CA -1.323 56.134 57.345 0.187 0.000 1.113 630 W CB 0.200 29.815 29.460 0.258 0.000 1.501 630 W HN -0.098 nan 8.180 nan 0.000 0.598 631 F N 1.491 121.605 119.950 0.274 0.000 2.749 631 F HA 0.541 5.068 4.527 -0.000 0.000 0.339 631 F C -0.396 175.615 175.800 0.352 0.000 1.211 631 F CA -0.431 57.614 58.000 0.075 0.000 1.099 631 F CB 0.890 39.908 39.000 0.030 0.000 1.359 631 F HN 0.636 nan 8.300 nan 0.000 0.549 632 G N 4.735 113.471 108.800 -0.107 0.000 2.451 632 G HA2 0.673 4.633 3.960 -0.000 0.000 0.303 632 G HA3 0.673 4.633 3.960 -0.000 0.000 0.303 632 G C -1.682 173.160 174.900 -0.096 0.000 1.166 632 G CA -0.577 44.609 45.100 0.144 0.000 0.884 632 G HN 1.040 nan 8.290 nan 0.000 0.514 633 L N -2.460 118.882 121.223 0.198 0.000 2.671 633 L HA 0.657 4.997 4.340 -0.000 0.000 0.259 633 L C -0.823 176.173 176.870 0.210 0.000 1.021 633 L CA -1.389 53.571 54.840 0.201 0.000 0.871 633 L CB 1.560 43.853 42.059 0.390 0.000 1.472 633 L HN 0.300 nan 8.230 nan 0.000 0.410 634 E N 1.738 122.018 120.200 0.134 0.000 2.152 634 E HA 0.387 4.736 4.350 -0.000 0.000 0.285 634 E C -1.034 175.579 176.600 0.022 0.000 1.043 634 E CA -0.428 56.014 56.400 0.071 0.000 0.839 634 E CB 1.754 31.472 29.700 0.030 0.000 1.069 634 E HN 0.640 nan 8.360 nan 0.000 0.399 635 L N 3.872 125.068 121.223 -0.045 0.000 2.290 635 L HA 0.170 4.510 4.340 -0.000 0.000 0.284 635 L C -0.504 176.216 176.870 -0.249 0.000 1.078 635 L CA 0.201 54.873 54.840 -0.279 0.000 0.815 635 L CB 0.664 42.475 42.059 -0.413 0.000 1.162 635 L HN 0.378 nan 8.230 nan 0.000 0.435 636 Q N 4.794 124.427 119.800 -0.279 0.000 2.394 636 Q HA 0.644 4.984 4.340 -0.000 0.000 0.273 636 Q C -1.454 174.385 176.000 -0.268 0.000 1.089 636 Q CA -0.667 54.996 55.803 -0.234 0.000 0.812 636 Q CB 2.640 31.289 28.738 -0.149 0.000 1.353 636 Q HN 0.588 nan 8.270 nan 0.000 0.438 637 L N 1.571 122.581 121.223 -0.356 0.000 2.307 637 L HA 0.598 4.938 4.340 -0.000 0.000 0.284 637 L C -0.321 176.370 176.870 -0.299 0.000 1.023 637 L CA -0.657 53.971 54.840 -0.352 0.000 0.810 637 L CB 1.485 43.251 42.059 -0.488 0.000 1.231 637 L HN 0.436 nan 8.230 nan 0.000 0.423 638 R N 2.036 122.512 120.500 -0.039 0.000 2.338 638 R HA 0.316 4.655 4.340 -0.000 0.000 0.317 638 R C -0.326 176.120 176.300 0.243 0.000 0.968 638 R CA -0.292 55.873 56.100 0.109 0.000 0.849 638 R CB 1.784 32.120 30.300 0.058 0.000 1.128 638 R HN 0.653 nan 8.270 nan 0.000 0.448 639 S N 3.083 118.996 115.700 0.355 0.000 2.510 639 S HA 0.082 4.552 4.470 -0.000 0.000 0.279 639 S C 0.876 175.501 174.600 0.040 0.000 1.284 639 S CA -0.212 58.077 58.200 0.148 0.000 1.059 639 S CB 0.839 63.975 63.200 -0.107 0.000 0.901 639 S HN 0.714 nan 8.310 nan 0.000 0.491 640 K N 3.250 123.663 120.400 0.021 0.000 2.217 640 K HA -0.082 4.238 4.320 -0.000 0.000 0.202 640 K C 1.899 178.482 176.600 -0.028 0.000 1.051 640 K CA 1.006 57.295 56.287 0.003 0.000 0.952 640 K CB -0.011 32.495 32.500 0.010 0.000 0.736 640 K HN 0.835 nan 8.250 nan 0.000 0.453 641 E N 0.704 120.866 120.200 -0.065 0.000 2.051 641 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 641 E C 1.692 178.227 176.600 -0.110 0.000 0.991 641 E CA 1.912 58.259 56.400 -0.089 0.000 0.799 641 E CB 0.190 29.811 29.700 -0.131 0.000 0.748 641 E HN 0.320 nan 8.360 nan 0.000 0.449 642 T N -4.568 109.882 114.554 -0.173 0.000 3.000 642 T HA 0.320 4.670 4.350 -0.000 0.000 0.248 642 T C 1.482 176.129 174.700 -0.089 0.000 1.034 642 T CA 0.623 62.581 62.100 -0.238 0.000 1.060 642 T CB 0.800 69.289 68.868 -0.632 0.000 0.983 642 T HN 0.361 nan 8.240 nan 0.000 0.482 643 G N 1.611 110.385 108.800 -0.043 0.000 2.175 643 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.244 643 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.244 643 G C -0.144 174.778 174.900 0.036 0.000 0.982 643 G CA -0.023 45.083 45.100 0.010 0.000 0.641 643 G HN 0.626 nan 8.290 nan 0.000 0.527 644 K N 0.727 121.150 120.400 0.039 0.000 2.182 644 K HA 0.575 4.895 4.320 -0.000 0.000 0.262 644 K C 0.593 177.303 176.600 0.184 0.000 0.957 644 K CA -1.137 55.203 56.287 0.089 0.000 0.842 644 K CB 1.608 34.149 32.500 0.067 0.000 1.099 644 K HN 0.110 nan 8.250 nan 0.000 0.438 645 I N 4.621 125.269 120.570 0.130 0.000 2.598 645 I HA -0.047 4.123 4.170 -0.000 0.000 0.284 645 I C 1.042 177.260 176.117 0.168 0.000 1.140 645 I CA 0.421 61.770 61.300 0.082 0.000 1.420 645 I CB -0.609 37.402 38.000 0.019 0.000 1.387 645 I HN 0.657 nan 8.210 nan 0.000 0.553 646 F N 5.728 125.708 119.950 0.051 0.000 2.831 646 F HA 0.428 4.955 4.527 -0.000 0.000 0.334 646 F C 0.093 175.961 175.800 0.113 0.000 1.071 646 F CA -0.549 57.514 58.000 0.106 0.000 1.172 646 F CB -0.164 38.880 39.000 0.073 0.000 1.054 646 F HN 0.152 nan 8.300 nan 0.000 0.572 647 V N -2.054 117.560 119.914 -0.500 0.000 3.188 647 V HA 0.879 4.999 4.120 -0.000 0.000 0.305 647 V C -0.719 175.215 176.094 -0.265 0.000 1.232 647 V CA -0.711 61.414 62.300 -0.293 0.000 1.043 647 V CB 1.176 32.822 31.823 -0.295 0.000 1.068 647 V HN 0.201 nan 8.190 nan 0.000 0.439 648 S N -0.283 115.322 115.700 -0.158 0.000 2.567 648 S HA 0.852 5.322 4.470 -0.000 0.000 0.270 648 S C -0.950 173.602 174.600 -0.079 0.000 1.152 648 S CA 0.283 58.409 58.200 -0.123 0.000 0.835 648 S CB 2.060 65.211 63.200 -0.081 0.000 1.115 648 S HN 1.707 nan 8.310 nan 0.000 0.459 649 T N 1.029 115.550 114.554 -0.055 0.000 2.802 649 T HA 0.401 4.751 4.350 -0.000 0.000 0.311 649 T C -1.767 172.956 174.700 0.037 0.000 1.405 649 T CA -0.499 61.595 62.100 -0.010 0.000 1.016 649 T CB 1.652 70.517 68.868 -0.005 0.000 1.352 649 T HN 0.665 nan 8.240 nan 0.000 0.498 650 E N 1.404 121.643 120.200 0.066 0.000 2.354 650 E HA 0.474 4.824 4.350 -0.000 0.000 0.269 650 E C -1.423 175.297 176.600 0.200 0.000 1.036 650 E CA -0.350 56.121 56.400 0.118 0.000 0.876 650 E CB 0.503 30.259 29.700 0.093 0.000 1.009 650 E HN 0.411 nan 8.360 nan 0.000 0.416 651 F N 3.205 123.199 119.950 0.074 0.000 2.547 651 F HA 0.425 4.952 4.527 -0.000 0.000 0.316 651 F C -1.207 174.678 175.800 0.141 0.000 1.121 651 F CA -0.747 57.292 58.000 0.064 0.000 0.911 651 F CB 1.340 40.366 39.000 0.044 0.000 1.179 651 F HN 0.262 nan 8.300 nan 0.000 0.443 652 K N 5.841 125.920 120.400 -0.535 0.000 2.270 652 K HA 0.544 4.864 4.320 -0.000 0.000 0.255 652 K C -1.646 174.675 176.600 -0.464 0.000 0.936 652 K CA -0.555 55.645 56.287 -0.146 0.000 0.809 652 K CB 2.094 34.651 32.500 0.096 0.000 1.131 652 K HN 0.415 nan 8.250 nan 0.000 0.427 653 F N 2.329 122.282 119.950 0.006 0.000 2.443 653 F HA 0.411 4.937 4.527 -0.000 0.000 0.335 653 F C -0.102 175.629 175.800 -0.114 0.000 1.104 653 F CA -0.687 57.250 58.000 -0.105 0.000 1.013 653 F CB 0.967 39.973 39.000 0.010 0.000 1.136 653 F HN 0.469 nan 8.300 nan 0.000 0.470 654 Y N 0.086 120.261 120.300 -0.208 0.000 2.605 654 Y HA 0.625 5.174 4.550 -0.000 0.000 0.343 654 Y C -1.191 174.658 175.900 -0.086 0.000 1.036 654 Y CA -1.629 56.290 58.100 -0.301 0.000 1.065 654 Y CB 1.284 39.153 38.460 -0.985 0.000 1.288 654 Y HN 0.485 nan 8.280 nan 0.000 0.481 655 N N 0.821 119.624 118.700 0.172 0.000 2.682 655 N HA 0.241 4.981 4.740 -0.000 0.000 0.252 655 N C -0.394 175.249 175.510 0.222 0.000 1.081 655 N CA -0.598 52.521 53.050 0.114 0.000 0.844 655 N CB 0.770 39.286 38.487 0.047 0.000 1.167 655 N HN 0.895 nan 8.380 nan 0.000 0.523 656 c N 0.554 119.362 118.600 0.346 0.000 2.411 656 c HA -0.085 4.485 4.570 -0.000 0.000 0.279 656 c C 2.340 176.620 174.090 0.318 0.000 1.288 656 c CA 0.900 57.496 56.329 0.445 0.000 1.764 656 c CB -1.016 41.762 42.510 0.446 0.000 1.974 656 c HN 0.741 nan 8.230 nan 0.000 0.498 657 S N 1.223 117.038 115.700 0.191 0.000 2.465 657 S HA -0.101 4.369 4.470 -0.000 0.000 0.241 657 S C 2.035 176.685 174.600 0.083 0.000 1.000 657 S CA 1.056 59.335 58.200 0.132 0.000 0.964 657 S CB -0.357 62.892 63.200 0.082 0.000 0.763 657 S HN 0.761 nan 8.310 nan 0.000 0.512 658 A N 1.734 124.549 122.820 -0.009 0.000 2.019 658 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 658 A C 0.751 178.240 177.584 -0.158 0.000 1.164 658 A CA 0.849 52.809 52.037 -0.129 0.000 0.644 658 A CB -0.458 18.406 19.000 -0.226 0.000 0.805 658 A HN 0.543 nan 8.150 nan 0.000 0.449 659 H N -0.776 118.403 119.070 0.183 0.000 2.527 659 H HA 0.403 4.959 4.556 -0.000 0.000 0.321 659 H C -0.207 175.274 175.328 0.255 0.000 1.087 659 H CA -0.007 56.152 56.048 0.186 0.000 1.337 659 H CB 1.133 31.008 29.762 0.188 0.000 1.440 659 H HN 0.385 nan 8.280 nan 0.000 0.490 660 Q N 1.836 121.821 119.800 0.310 0.000 2.139 660 Q HA 0.237 4.577 4.340 -0.000 0.000 0.219 660 Q C -0.920 175.241 176.000 0.269 0.000 0.805 660 Q CA -0.046 55.964 55.803 0.343 0.000 1.024 660 Q CB 0.688 29.551 28.738 0.210 0.000 1.163 660 Q HN 0.352 nan 8.270 nan 0.000 0.485 661 L N -1.731 119.490 121.223 -0.003 0.000 2.388 661 L HA 0.307 4.647 4.340 -0.000 0.000 0.264 661 L C 0.587 176.888 176.870 -0.948 0.000 0.998 661 L CA -0.528 54.058 54.840 -0.424 0.000 0.817 661 L CB 1.074 43.010 42.059 -0.206 0.000 1.338 661 L HN 0.019 nan 8.230 nan 0.000 0.414 662 c N 1.407 119.069 118.600 -1.564 0.000 2.393 662 c HA -0.152 4.417 4.570 -0.000 0.000 0.276 662 c C 2.457 176.177 174.090 -0.616 0.000 1.215 662 c CA 1.245 56.640 56.329 -1.558 0.000 1.743 662 c CB -0.653 41.050 42.510 -1.345 0.000 2.044 662 c HN 0.782 nan 8.230 nan 0.000 0.464 663 L N 0.580 121.546 121.223 -0.427 0.000 2.042 663 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 663 L C 2.916 179.662 176.870 -0.206 0.000 1.076 663 L CA 1.985 56.676 54.840 -0.249 0.000 0.749 663 L CB -0.805 41.143 42.059 -0.184 0.000 0.893 663 L HN 0.477 nan 8.230 nan 0.000 0.432 664 S N -0.874 114.713 115.700 -0.189 0.000 2.348 664 S HA -0.279 4.191 4.470 -0.000 0.000 0.221 664 S C 2.283 176.712 174.600 -0.284 0.000 1.033 664 S CA 1.642 59.770 58.200 -0.119 0.000 1.010 664 S CB -0.546 62.674 63.200 0.034 0.000 0.891 664 S HN 0.598 nan 8.310 nan 0.000 0.442 665 c N 0.790 119.274 118.600 -0.194 0.000 2.413 665 c HA 0.003 4.573 4.570 -0.000 0.000 0.276 665 c C 2.592 176.557 174.090 -0.208 0.000 1.236 665 c CA 1.193 57.425 56.329 -0.162 0.000 1.735 665 c CB -1.493 41.191 42.510 0.291 0.000 2.031 665 c HN 0.481 nan 8.230 nan 0.000 0.474 666 V N 1.894 121.718 119.914 -0.150 0.000 2.427 666 V HA -0.124 3.995 4.120 -0.000 0.000 0.248 666 V C 1.996 177.988 176.094 -0.171 0.000 1.051 666 V CA 2.187 64.410 62.300 -0.128 0.000 1.048 666 V CB -0.678 31.083 31.823 -0.104 0.000 0.666 666 V HN 0.591 nan 8.190 nan 0.000 0.456 667 N N -0.041 118.543 118.700 -0.194 0.000 2.398 667 N HA 0.042 4.782 4.740 -0.000 0.000 0.188 667 N C 0.874 176.254 175.510 -0.218 0.000 1.122 667 N CA 0.201 53.143 53.050 -0.180 0.000 0.866 667 N CB 0.082 38.483 38.487 -0.144 0.000 0.970 667 N HN 0.374 nan 8.380 nan 0.000 0.462 668 S N 0.232 115.754 115.700 -0.295 0.000 2.554 668 S HA 0.093 4.563 4.470 -0.000 0.000 0.290 668 S C 1.470 175.891 174.600 -0.298 0.000 1.309 668 S CA -0.037 57.992 58.200 -0.284 0.000 1.047 668 S CB 0.781 63.816 63.200 -0.274 0.000 0.828 668 S HN 0.383 nan 8.310 nan 0.000 0.509 669 A N 4.276 126.835 122.820 -0.434 0.000 2.067 669 A HA 0.204 4.524 4.320 -0.000 0.000 0.219 669 A C 0.418 177.509 177.584 -0.822 0.000 1.158 669 A CA 0.750 52.377 52.037 -0.683 0.000 0.661 669 A CB -0.426 18.003 19.000 -0.950 0.000 0.801 669 A HN 0.672 nan 8.150 nan 0.000 0.452 670 F N -1.527 118.196 119.950 -0.378 0.000 2.457 670 F HA 0.518 5.045 4.527 -0.000 0.000 0.330 670 F C 0.857 176.376 175.800 -0.469 0.000 1.069 670 F CA -1.276 56.358 58.000 -0.610 0.000 1.009 670 F CB 0.744 38.985 39.000 -1.264 0.000 1.276 670 F HN -0.062 nan 8.300 nan 0.000 0.492 671 R N 1.336 121.697 120.500 -0.232 0.000 2.609 671 R HA 0.380 4.719 4.340 -0.000 0.000 0.271 671 R C -1.689 174.567 176.300 -0.073 0.000 1.403 671 R CA 0.131 56.160 56.100 -0.120 0.000 1.138 671 R CB -0.839 29.479 30.300 0.030 0.000 1.142 671 R HN 0.672 nan 8.270 nan 0.000 0.559 672 c N 3.209 121.695 118.600 -0.190 0.000 2.529 672 c HA 0.572 5.141 4.570 -0.000 0.000 0.329 672 c C -0.688 173.197 174.090 -0.342 0.000 1.194 672 c CA -0.730 55.560 56.329 -0.066 0.000 1.779 672 c CB 1.517 44.093 42.510 0.110 0.000 2.322 672 c HN 0.766 nan 8.230 nan 0.000 0.500 673 H N 0.194 119.355 119.070 0.152 0.000 2.600 673 H HA 0.240 4.795 4.556 -0.000 0.000 0.357 673 H C -1.005 174.432 175.328 0.181 0.000 1.106 673 H CA -0.310 55.817 56.048 0.131 0.000 1.193 673 H CB 1.595 31.398 29.762 0.069 0.000 1.594 673 H HN 0.746 nan 8.280 nan 0.000 0.526 674 W N 3.890 125.249 121.300 0.099 0.000 2.331 674 W HA 0.219 4.879 4.660 -0.000 0.000 0.306 674 W C -0.865 175.675 176.519 0.036 0.000 1.162 674 W CA -0.646 56.731 57.345 0.054 0.000 1.232 674 W CB 0.971 30.439 29.460 0.014 0.000 1.235 674 W HN 0.460 nan 8.180 nan 0.000 0.479 675 c N 7.831 126.100 118.600 -0.551 0.000 2.289 675 c HA 0.060 4.630 4.570 -0.000 0.000 0.340 675 c C 2.019 175.751 174.090 -0.596 0.000 1.152 675 c CA -0.262 55.804 56.329 -0.437 0.000 1.650 675 c CB -0.147 42.157 42.510 -0.343 0.000 2.203 675 c HN 0.817 nan 8.230 nan 0.000 0.511 676 K N 2.017 122.226 120.400 -0.318 0.000 2.034 676 K HA -0.207 4.113 4.320 -0.000 0.000 0.214 676 K C 1.122 177.579 176.600 -0.238 0.000 1.051 676 K CA 2.218 58.373 56.287 -0.221 0.000 0.931 676 K CB -0.112 32.150 32.500 -0.396 0.000 0.715 676 K HN 0.763 nan 8.250 nan 0.000 0.446 677 Y N 0.126 120.395 120.300 -0.051 0.000 2.206 677 Y HA 0.009 4.559 4.550 -0.000 0.000 0.292 677 Y C 2.219 178.048 175.900 -0.119 0.000 1.123 677 Y CA 0.949 59.015 58.100 -0.056 0.000 1.142 677 Y CB -0.275 38.145 38.460 -0.066 0.000 1.006 677 Y HN -0.009 nan 8.280 nan 0.000 0.518 678 R N 0.640 121.112 120.500 -0.048 0.000 2.285 678 R HA -0.131 4.209 4.340 -0.000 0.000 0.213 678 R C 0.250 176.433 176.300 -0.195 0.000 1.068 678 R CA 0.834 56.859 56.100 -0.125 0.000 1.004 678 R CB -0.692 29.509 30.300 -0.164 0.000 0.873 678 R HN 0.300 nan 8.270 nan 0.000 0.467 679 N N 0.219 118.747 118.700 -0.286 0.000 2.696 679 N HA -0.163 4.577 4.740 -0.000 0.000 0.256 679 N C -1.567 173.592 175.510 -0.585 0.000 1.031 679 N CA 0.895 53.753 53.050 -0.320 0.000 0.730 679 N CB -0.809 37.683 38.487 0.009 0.000 0.894 679 N HN 0.231 nan 8.380 nan 0.000 0.544 680 L N -3.068 117.479 121.223 -1.128 0.000 2.671 680 L HA 0.668 5.008 4.340 -0.000 0.000 0.259 680 L C -0.579 175.812 176.870 -0.799 0.000 1.021 680 L CA -1.290 53.062 54.840 -0.813 0.000 0.871 680 L CB 0.806 42.687 42.059 -0.297 0.000 1.472 680 L HN 0.083 nan 8.230 nan 0.000 0.410 681 c N 0.545 119.069 118.600 -0.127 0.000 2.350 681 c HA 0.900 5.470 4.570 -0.000 0.000 0.348 681 c C 0.377 174.559 174.090 0.153 0.000 1.260 681 c CA 0.622 57.071 56.329 0.200 0.000 1.966 681 c CB 0.381 43.187 42.510 0.494 0.000 2.380 681 c HN 1.089 nan 8.230 nan 0.000 0.535 682 T N 2.740 117.404 114.554 0.184 0.000 2.864 682 T HA 0.404 4.754 4.350 -0.000 0.000 0.299 682 T C 0.681 175.565 174.700 0.307 0.000 1.166 682 T CA -0.378 61.832 62.100 0.183 0.000 1.007 682 T CB 1.040 69.927 68.868 0.031 0.000 1.219 682 T HN 0.870 nan 8.240 nan 0.000 0.506 683 H N 0.866 120.085 119.070 0.249 0.000 2.562 683 H HA 0.238 4.794 4.556 -0.000 0.000 0.267 683 H C -0.218 175.273 175.328 0.271 0.000 0.959 683 H CA 0.131 56.377 56.048 0.330 0.000 1.204 683 H CB 0.445 30.352 29.762 0.242 0.000 1.430 683 H HN 0.408 nan 8.280 nan 0.000 0.545 684 D N 2.096 122.121 120.400 -0.626 0.000 2.472 684 D HA 0.222 4.862 4.640 -0.000 0.000 0.234 684 D C -1.893 174.216 176.300 -0.318 0.000 1.088 684 D CA -2.658 51.009 54.000 -0.555 0.000 0.882 684 D CB 1.697 42.060 40.800 -0.729 0.000 1.037 684 D HN 0.001 nan 8.370 nan 0.000 0.520 685 P HA -0.125 nan 4.420 nan 0.000 0.219 685 P C 1.237 178.425 177.300 -0.187 0.000 1.146 685 P CA 1.186 64.077 63.100 -0.349 0.000 0.808 685 P CB 0.010 31.396 31.700 -0.523 0.000 0.779 686 T N -4.271 110.186 114.554 -0.161 0.000 3.163 686 T HA -0.056 4.294 4.350 -0.000 0.000 0.260 686 T C 1.342 175.991 174.700 -0.085 0.000 1.156 686 T CA 1.433 63.475 62.100 -0.096 0.000 1.072 686 T CB -1.330 67.492 68.868 -0.076 0.000 0.937 686 T HN 0.217 nan 8.240 nan 0.000 0.528 687 T N -1.881 112.607 114.554 -0.110 0.000 3.040 687 T HA 0.288 4.638 4.350 -0.000 0.000 0.250 687 T C 1.009 175.651 174.700 -0.097 0.000 1.058 687 T CA -0.444 61.599 62.100 -0.095 0.000 0.988 687 T CB -1.019 67.789 68.868 -0.101 0.000 0.993 687 T HN 0.411 nan 8.240 nan 0.000 0.519 688 c N 2.382 120.925 118.600 -0.095 0.000 2.702 688 c HA 0.291 4.861 4.570 -0.000 0.000 0.411 688 c C 2.365 176.406 174.090 -0.081 0.000 1.286 688 c CA -0.140 56.136 56.329 -0.087 0.000 1.979 688 c CB 0.240 42.716 42.510 -0.057 0.000 2.728 688 c HN 0.581 nan 8.230 nan 0.000 0.652 689 S N 0.294 115.924 115.700 -0.116 0.000 2.345 689 S HA 0.020 4.490 4.470 -0.000 0.000 0.220 689 S C 0.180 174.588 174.600 -0.320 0.000 1.031 689 S CA 1.358 59.384 58.200 -0.290 0.000 0.996 689 S CB -0.149 62.785 63.200 -0.443 0.000 0.882 689 S HN 0.599 nan 8.310 nan 0.000 0.445 690 F N 0.613 120.638 119.950 0.126 0.000 2.561 690 F HA 0.445 4.971 4.527 -0.000 0.000 0.321 690 F C 1.135 176.993 175.800 0.096 0.000 1.065 690 F CA -1.702 56.361 58.000 0.106 0.000 0.934 690 F CB 1.089 40.170 39.000 0.136 0.000 1.215 690 F HN -0.063 nan 8.300 nan 0.000 0.471 691 Q N 0.508 120.472 119.800 0.273 0.000 2.197 691 Q HA -0.223 4.117 4.340 -0.000 0.000 0.207 691 Q C 0.939 177.026 176.000 0.145 0.000 0.984 691 Q CA 2.087 57.977 55.803 0.145 0.000 0.869 691 Q CB 0.114 28.909 28.738 0.095 0.000 0.906 691 Q HN 0.733 nan 8.270 nan 0.000 0.426 692 E N -1.017 119.314 120.200 0.218 0.000 2.418 692 E HA -0.055 4.295 4.350 -0.000 0.000 0.197 692 E C 1.516 178.197 176.600 0.136 0.000 1.026 692 E CA 0.903 57.418 56.400 0.191 0.000 0.862 692 E CB -0.099 29.745 29.700 0.241 0.000 0.799 692 E HN 0.529 nan 8.360 nan 0.000 0.518 693 G N 0.397 109.286 108.800 0.148 0.000 2.712 693 G HA2 -0.122 3.837 3.960 -0.000 0.000 0.212 693 G HA3 -0.122 3.837 3.960 -0.000 0.000 0.212 693 G C 0.413 175.274 174.900 -0.066 0.000 1.142 693 G CA -0.356 44.676 45.100 -0.113 0.000 0.789 693 G HN 0.073 nan 8.290 nan 0.000 0.535 694 R N 0.448 120.957 120.500 0.014 0.000 2.421 694 R HA 0.349 4.689 4.340 -0.000 0.000 0.305 694 R C -0.533 175.814 176.300 0.078 0.000 1.039 694 R CA 0.270 56.395 56.100 0.042 0.000 1.003 694 R CB 0.619 30.941 30.300 0.036 0.000 0.959 694 R HN 0.152 nan 8.270 nan 0.000 0.427 695 I N 2.919 123.573 120.570 0.139 0.000 2.406 695 I HA 0.171 4.341 4.170 -0.000 0.000 0.290 695 I C 0.250 176.468 176.117 0.168 0.000 0.999 695 I CA -0.581 60.810 61.300 0.152 0.000 1.124 695 I CB 1.944 40.062 38.000 0.196 0.000 1.289 695 I HN 0.679 nan 8.210 nan 0.000 0.441 696 N N 3.907 122.673 118.700 0.111 0.000 2.397 696 N HA 0.150 4.890 4.740 -0.000 0.000 0.190 696 N C -0.027 175.489 175.510 0.010 0.000 1.099 696 N CA 0.467 53.564 53.050 0.078 0.000 0.876 696 N CB 1.305 39.851 38.487 0.099 0.000 1.143 696 N HN 0.234 nan 8.380 nan 0.000 0.468 697 V N 1.490 121.408 119.914 0.007 0.000 2.715 697 V HA 0.174 4.294 4.120 -0.000 0.000 0.310 697 V C 1.335 177.406 176.094 -0.038 0.000 1.054 697 V CA -0.457 61.828 62.300 -0.024 0.000 0.928 697 V CB 1.998 33.810 31.823 -0.018 0.000 1.007 697 V HN 0.233 nan 8.190 nan 0.000 0.437 698 S N 1.368 117.031 115.700 -0.061 0.000 2.423 698 S HA -0.157 4.312 4.470 -0.000 0.000 0.231 698 S C 1.565 176.126 174.600 -0.064 0.000 1.014 698 S CA 1.360 59.511 58.200 -0.081 0.000 0.965 698 S CB -0.220 62.925 63.200 -0.092 0.000 0.785 698 S HN 0.793 nan 8.310 nan 0.000 0.495 699 E N 3.304 123.477 120.200 -0.046 0.000 2.171 699 E HA -0.187 4.163 4.350 -0.000 0.000 0.197 699 E C 0.409 176.991 176.600 -0.030 0.000 0.997 699 E CA 1.685 58.063 56.400 -0.035 0.000 0.810 699 E CB -0.439 29.246 29.700 -0.026 0.000 0.738 699 E HN 0.902 nan 8.360 nan 0.000 0.467 700 D N -1.602 118.782 120.400 -0.026 0.000 2.755 700 D HA 0.124 4.764 4.640 -0.000 0.000 0.257 700 D C -0.737 175.547 176.300 -0.026 0.000 1.291 700 D CA -0.427 53.563 54.000 -0.017 0.000 0.836 700 D CB -0.840 39.960 40.800 -0.000 0.000 1.059 700 D HN -0.046 nan 8.370 nan 0.000 0.486 701 c N 1.789 120.353 118.600 -0.060 0.000 2.514 701 c HA 0.485 5.055 4.570 -0.000 0.000 0.392 701 c C -1.367 172.676 174.090 -0.080 0.000 1.294 701 c CA -0.843 55.423 56.329 -0.105 0.000 1.957 701 c CB -0.099 42.303 42.510 -0.179 0.000 2.541 701 c HN 0.430 nan 8.230 nan 0.000 0.569 702 P HA 0.000 nan 4.420 nan 0.000 0.216 702 P CA 0.000 63.083 63.100 -0.028 0.000 0.800 702 P CB 0.000 31.710 31.700 0.016 0.000 0.726